USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 817 LYS NZ :NH3+ 176:sc= -0.42! (180deg=-1.69!) USER MOD Set 1.2: A 854 TYR OH : rot 180:sc= 0.595 USER MOD Set 2.1: A 782 THR OG1 : rot -80:sc= 0.188 USER MOD Set 2.2: A 819 GLN : amide:sc= -1.54! K(o=-4.8!,f=-4.2) USER MOD Set 2.3: A 850 ASN : amide:sc= -3.41! C(o=-4.8!,f=-7.9!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN : amide:sc= -1.87! K(o=-1.9!,f=-0.33) USER MOD Single : A 796 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 799 ASN : amide:sc= -2.49 K(o=-2.5,f=-6.3!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ 154:sc= -0.219 (180deg=-1) USER MOD Single : A 803 SER OG : rot -26:sc= 1.13 USER MOD Single : A 804 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 805 THR OG1 : rot 180:sc= 0.0471 USER MOD Single : A 806 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 807 ASN : amide:sc= -0.733 K(o=-0.73,f=0) USER MOD Single : A 808 ASN : amide:sc= -0.0927 K(o=-0.093,f=-0.66) 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= 0.0388 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 TYR OH : rot 180:sc= 0 USER MOD Single : A 830 SER OG : rot -22:sc= 0.0515 USER MOD Single : A 835 ASN : amide:sc= 0.151 X(o=0.15,f=-0.25) USER MOD Single : A 838 LYS NZ :NH3+ -160:sc= 0.601 (180deg=0.399) USER MOD Single : A 840 MET CE :methyl -150:sc= 0 (180deg=-0.13) USER MOD Single : A 844 ASN : amide:sc=-0.00548 X(o=-0.0055,f=0) USER MOD Single : A 845 ASN : amide:sc= -0.0176 X(o=-0.018,f=-0.14) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 775 -3.921 12.373 17.178 1.00 9.10 N ATOM 2 CA GLY A 775 -5.380 12.301 16.887 1.00 8.80 C ATOM 3 C GLY A 775 -5.710 12.717 15.466 1.00 8.11 C ATOM 4 O GLY A 775 -6.769 13.288 15.210 1.00 8.12 O ATOM 0 HA2 GLY A 775 -5.731 11.283 17.055 1.00 8.80 H new ATOM 0 HA3 GLY A 775 -5.918 12.943 17.584 1.00 8.80 H new ATOM 10 N ALA A 776 -4.799 12.428 14.541 1.00 7.81 N ATOM 11 CA ALA A 776 -4.997 12.775 13.140 1.00 7.43 C ATOM 12 C ALA A 776 -5.701 11.650 12.389 1.00 6.66 C ATOM 13 O ALA A 776 -5.959 10.583 12.949 1.00 6.79 O ATOM 14 CB ALA A 776 -3.663 13.097 12.482 1.00 8.12 C ATOM 0 H ALA A 776 -3.917 11.955 14.738 1.00 7.81 H new ATOM 0 HA ALA A 776 -5.634 13.659 13.097 1.00 7.43 H new ATOM 0 HB1 ALA A 776 -3.826 13.354 11.435 1.00 8.12 H new ATOM 0 HB2 ALA A 776 -3.198 13.939 12.995 1.00 8.12 H new ATOM 0 HB3 ALA A 776 -3.008 12.228 12.544 1.00 8.12 H new ATOM 20 N MET A 777 -6.007 11.895 11.120 1.00 6.18 N ATOM 21 CA MET A 777 -6.681 10.903 10.290 1.00 5.71 C ATOM 22 C MET A 777 -5.791 10.474 9.127 1.00 5.06 C ATOM 23 O MET A 777 -4.987 11.260 8.624 1.00 5.55 O ATOM 24 CB MET A 777 -8.000 11.465 9.756 1.00 6.17 C ATOM 25 CG MET A 777 -9.150 11.362 10.745 1.00 6.70 C ATOM 26 SD MET A 777 -9.139 12.688 11.965 1.00 7.49 S ATOM 27 CE MET A 777 -9.774 11.831 13.403 1.00 8.34 C ATOM 0 H MET A 777 -5.799 12.772 10.643 1.00 6.18 H new ATOM 0 HA MET A 777 -6.890 10.030 10.908 1.00 5.71 H new ATOM 0 HB2 MET A 777 -7.857 12.511 9.486 1.00 6.17 H new ATOM 0 HB3 MET A 777 -8.268 10.934 8.843 1.00 6.17 H new ATOM 0 HG2 MET A 777 -10.094 11.382 10.201 1.00 6.70 H new ATOM 0 HG3 MET A 777 -9.098 10.402 11.258 1.00 6.70 H new ATOM 0 HE1 MET A 777 -9.826 12.522 14.245 1.00 8.34 H new ATOM 0 HE2 MET A 777 -10.771 11.446 13.187 1.00 8.34 H new ATOM 0 HE3 MET A 777 -9.112 11.002 13.654 1.00 8.34 H new ATOM 37 N GLY A 778 -5.941 9.222 8.705 1.00 4.25 N ATOM 38 CA GLY A 778 -5.145 8.712 7.603 1.00 3.79 C ATOM 39 C GLY A 778 -5.980 7.969 6.580 1.00 2.65 C ATOM 40 O GLY A 778 -7.169 8.248 6.421 1.00 2.91 O ATOM 0 H GLY A 778 -6.598 8.553 9.106 1.00 4.25 H new ATOM 0 HA2 GLY A 778 -4.632 9.541 7.116 1.00 3.79 H new ATOM 0 HA3 GLY A 778 -4.376 8.045 7.993 1.00 3.79 H new ATOM 44 N SER A 779 -5.359 7.023 5.884 1.00 1.98 N ATOM 45 CA SER A 779 -6.054 6.239 4.869 1.00 1.35 C ATOM 46 C SER A 779 -5.479 4.829 4.777 1.00 1.02 C ATOM 47 O SER A 779 -4.680 4.419 5.620 1.00 1.06 O ATOM 48 CB SER A 779 -5.961 6.932 3.508 1.00 2.12 C ATOM 49 OG SER A 779 -5.223 8.138 3.599 1.00 2.61 O ATOM 0 H SER A 779 -4.376 6.780 6.004 1.00 1.98 H new ATOM 0 HA SER A 779 -7.102 6.163 5.160 1.00 1.35 H new ATOM 0 HB2 SER A 779 -5.486 6.265 2.788 1.00 2.12 H new ATOM 0 HB3 SER A 779 -6.963 7.143 3.134 1.00 2.12 H new ATOM 0 HG SER A 779 -5.177 8.561 2.716 1.00 2.61 H new ATOM 55 N ILE A 780 -5.892 4.092 3.750 1.00 0.79 N ATOM 56 CA ILE A 780 -5.420 2.727 3.547 1.00 0.51 C ATOM 57 C ILE A 780 -4.968 2.515 2.106 1.00 0.46 C ATOM 58 O ILE A 780 -4.901 3.462 1.321 1.00 0.53 O ATOM 59 CB ILE A 780 -6.512 1.689 3.885 1.00 0.43 C ATOM 60 CG1 ILE A 780 -7.788 2.381 4.369 1.00 0.64 C ATOM 61 CG2 ILE A 780 -6.003 0.713 4.937 1.00 0.58 C ATOM 62 CD1 ILE A 780 -8.732 2.762 3.247 1.00 1.22 C ATOM 0 H ILE A 780 -6.553 4.418 3.045 1.00 0.79 H new ATOM 0 HA ILE A 780 -4.576 2.584 4.221 1.00 0.51 H new ATOM 0 HB ILE A 780 -6.751 1.133 2.978 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -8.309 1.721 5.063 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -7.517 3.278 4.925 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -6.782 -0.014 5.167 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -5.123 0.194 4.556 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -5.738 1.259 5.842 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -9.615 3.248 3.663 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -8.229 3.447 2.565 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -9.033 1.866 2.705 1.00 1.22 H new ATOM 74 N PHE A 781 -4.659 1.268 1.759 1.00 0.39 N ATOM 75 CA PHE A 781 -4.219 0.933 0.416 1.00 0.36 C ATOM 76 C PHE A 781 -4.552 -0.520 0.106 1.00 0.30 C ATOM 77 O PHE A 781 -3.775 -1.427 0.404 1.00 0.35 O ATOM 78 CB PHE A 781 -2.715 1.177 0.272 1.00 0.41 C ATOM 79 CG PHE A 781 -2.330 1.860 -1.010 1.00 0.45 C ATOM 80 CD1 PHE A 781 -2.905 3.068 -1.371 1.00 0.73 C ATOM 81 CD2 PHE A 781 -1.387 1.293 -1.854 1.00 0.81 C ATOM 82 CE1 PHE A 781 -2.550 3.696 -2.549 1.00 0.80 C ATOM 83 CE2 PHE A 781 -1.027 1.917 -3.032 1.00 0.94 C ATOM 84 CZ PHE A 781 -1.609 3.120 -3.381 1.00 0.73 C ATOM 0 H PHE A 781 -4.707 0.473 2.396 1.00 0.39 H new ATOM 0 HA PHE A 781 -4.742 1.573 -0.295 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -2.373 1.782 1.112 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -2.194 0.222 0.334 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -3.639 3.524 -0.724 1.00 0.73 H new ATOM 0 HD2 PHE A 781 -0.929 0.352 -1.587 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -3.007 4.636 -2.819 1.00 0.80 H new ATOM 0 HE2 PHE A 781 -0.291 1.465 -3.680 1.00 0.94 H new ATOM 0 HZ PHE A 781 -1.329 3.609 -4.302 1.00 0.73 H new ATOM 94 N THR A 782 -5.723 -0.730 -0.482 1.00 0.28 N ATOM 95 CA THR A 782 -6.178 -2.073 -0.824 1.00 0.29 C ATOM 96 C THR A 782 -5.888 -2.389 -2.286 1.00 0.35 C ATOM 97 O THR A 782 -6.638 -1.999 -3.182 1.00 0.52 O ATOM 98 CB THR A 782 -7.690 -2.234 -0.568 1.00 0.41 C ATOM 99 OG1 THR A 782 -8.258 -0.980 -0.173 1.00 0.67 O ATOM 100 CG2 THR A 782 -7.951 -3.274 0.513 1.00 0.44 C ATOM 0 H THR A 782 -6.376 0.013 -0.732 1.00 0.28 H new ATOM 0 HA THR A 782 -5.632 -2.768 -0.186 1.00 0.29 H new ATOM 0 HB THR A 782 -8.156 -2.570 -1.494 1.00 0.41 H new ATOM 0 HG1 THR A 782 -8.074 -0.822 0.776 1.00 0.67 H new ATOM 0 HG21 THR A 782 -9.025 -3.369 0.675 1.00 0.44 H new ATOM 0 HG22 THR A 782 -7.545 -4.235 0.198 1.00 0.44 H new ATOM 0 HG23 THR A 782 -7.470 -2.963 1.441 1.00 0.44 H new ATOM 108 N LEU A 783 -4.785 -3.095 -2.513 1.00 0.40 N ATOM 109 CA LEU A 783 -4.369 -3.470 -3.858 1.00 0.56 C ATOM 110 C LEU A 783 -4.931 -4.834 -4.246 1.00 0.58 C ATOM 111 O LEU A 783 -5.081 -5.716 -3.400 1.00 0.99 O ATOM 112 CB LEU A 783 -2.842 -3.498 -3.936 1.00 0.67 C ATOM 113 CG LEU A 783 -2.238 -2.845 -5.175 1.00 0.94 C ATOM 114 CD1 LEU A 783 -2.074 -1.350 -4.962 1.00 1.57 C ATOM 115 CD2 LEU A 783 -0.901 -3.489 -5.501 1.00 1.53 C ATOM 0 H LEU A 783 -4.160 -3.421 -1.776 1.00 0.40 H new ATOM 0 HA LEU A 783 -4.759 -2.729 -4.556 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -2.441 -3.002 -3.052 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -2.512 -4.536 -3.896 1.00 0.67 H new ATOM 0 HG LEU A 783 -2.913 -2.996 -6.017 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -1.642 -0.900 -5.856 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -3.048 -0.902 -4.765 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -1.415 -1.174 -4.112 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -0.476 -3.017 -6.387 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -0.220 -3.360 -4.660 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -1.046 -4.553 -5.691 1.00 1.53 H new ATOM 127 N LEU A 784 -5.234 -5.003 -5.529 1.00 0.27 N ATOM 128 CA LEU A 784 -5.771 -6.261 -6.028 1.00 0.26 C ATOM 129 C LEU A 784 -4.657 -7.287 -6.202 1.00 0.23 C ATOM 130 O LEU A 784 -3.820 -7.166 -7.097 1.00 0.29 O ATOM 131 CB LEU A 784 -6.492 -6.048 -7.359 1.00 0.31 C ATOM 132 CG LEU A 784 -7.123 -7.304 -7.963 1.00 0.51 C ATOM 133 CD1 LEU A 784 -8.623 -7.124 -8.129 1.00 0.81 C ATOM 134 CD2 LEU A 784 -6.473 -7.638 -9.299 1.00 0.75 C ATOM 0 H LEU A 784 -5.116 -4.283 -6.242 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.486 -6.637 -5.297 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -7.273 -5.301 -7.216 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -5.783 -5.635 -8.077 1.00 0.31 H new ATOM 0 HG LEU A 784 -6.952 -8.136 -7.279 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -9.052 -8.028 -8.560 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -9.077 -6.935 -7.156 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -8.817 -6.279 -8.790 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -6.934 -8.534 -9.714 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -6.611 -6.806 -9.989 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -5.407 -7.814 -9.151 1.00 0.75 H new ATOM 146 N VAL A 785 -4.652 -8.288 -5.335 1.00 0.25 N ATOM 147 CA VAL A 785 -3.642 -9.339 -5.378 1.00 0.30 C ATOM 148 C VAL A 785 -4.164 -10.583 -6.091 1.00 0.34 C ATOM 149 O VAL A 785 -5.200 -10.541 -6.757 1.00 0.55 O ATOM 150 CB VAL A 785 -3.175 -9.720 -3.961 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.684 -8.489 -3.215 1.00 1.11 C ATOM 152 CG2 VAL A 785 -4.295 -10.405 -3.192 1.00 1.18 C ATOM 0 H VAL A 785 -5.339 -8.396 -4.589 1.00 0.25 H new ATOM 0 HA VAL A 785 -2.794 -8.943 -5.937 1.00 0.30 H new ATOM 0 HB VAL A 785 -2.346 -10.422 -4.049 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.358 -8.776 -2.215 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -1.849 -8.045 -3.756 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -3.494 -7.763 -3.138 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -3.944 -10.666 -2.194 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -5.147 -9.730 -3.112 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -4.597 -11.310 -3.718 1.00 1.18 H new ATOM 162 N GLU A 786 -3.440 -11.690 -5.950 1.00 0.38 N ATOM 163 CA GLU A 786 -3.826 -12.947 -6.582 1.00 0.42 C ATOM 164 C GLU A 786 -3.571 -14.129 -5.650 1.00 0.46 C ATOM 165 O GLU A 786 -2.953 -13.979 -4.595 1.00 0.48 O ATOM 166 CB GLU A 786 -3.054 -13.137 -7.888 1.00 0.43 C ATOM 167 CG GLU A 786 -3.773 -14.015 -8.901 1.00 0.56 C ATOM 168 CD GLU A 786 -3.899 -13.354 -10.260 1.00 0.75 C ATOM 169 OE1 GLU A 786 -2.931 -12.694 -10.691 1.00 1.02 O ATOM 170 OE2 GLU A 786 -4.966 -13.497 -10.892 1.00 1.40 O ATOM 0 H GLU A 786 -2.581 -11.741 -5.402 1.00 0.38 H new ATOM 0 HA GLU A 786 -4.894 -12.905 -6.798 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -2.867 -12.160 -8.335 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.082 -13.577 -7.665 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -3.234 -14.956 -9.008 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -4.767 -14.257 -8.525 1.00 0.56 H new ATOM 177 N LYS A 787 -4.045 -15.304 -6.051 1.00 0.51 N ATOM 178 CA LYS A 787 -3.868 -16.518 -5.259 1.00 0.57 C ATOM 179 C LYS A 787 -2.531 -17.180 -5.572 1.00 0.60 C ATOM 180 O LYS A 787 -2.337 -18.369 -5.316 1.00 1.07 O ATOM 181 CB LYS A 787 -5.008 -17.498 -5.532 1.00 0.64 C ATOM 182 CG LYS A 787 -5.258 -17.747 -7.010 1.00 1.29 C ATOM 183 CD LYS A 787 -6.622 -17.235 -7.439 1.00 1.49 C ATOM 184 CE LYS A 787 -6.773 -17.252 -8.953 1.00 2.24 C ATOM 185 NZ LYS A 787 -8.167 -17.569 -9.370 1.00 2.85 N ATOM 0 H LYS A 787 -4.556 -15.442 -6.923 1.00 0.51 H new ATOM 0 HA LYS A 787 -3.879 -16.240 -4.205 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -4.784 -18.447 -5.045 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -5.922 -17.115 -5.077 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -4.483 -17.257 -7.599 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -5.188 -18.815 -7.217 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -7.401 -17.850 -6.988 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -6.763 -16.219 -7.070 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -6.485 -16.281 -9.357 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -6.091 -17.989 -9.377 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -8.227 -17.571 -10.408 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -8.433 -18.506 -9.006 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -8.816 -16.852 -8.987 1.00 2.85 H new ATOM 199 N VAL A 788 -1.617 -16.398 -6.131 1.00 0.29 N ATOM 200 CA VAL A 788 -0.293 -16.892 -6.491 1.00 0.29 C ATOM 201 C VAL A 788 0.787 -15.892 -6.081 1.00 0.26 C ATOM 202 O VAL A 788 1.937 -16.264 -5.842 1.00 0.29 O ATOM 203 CB VAL A 788 -0.197 -17.160 -8.010 1.00 0.32 C ATOM 204 CG1 VAL A 788 -0.818 -16.016 -8.795 1.00 0.31 C ATOM 205 CG2 VAL A 788 1.247 -17.383 -8.437 1.00 0.33 C ATOM 0 H VAL A 788 -1.769 -15.413 -6.346 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.134 -17.829 -5.957 1.00 0.29 H new ATOM 0 HB VAL A 788 -0.755 -18.071 -8.227 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -0.741 -16.223 -9.862 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -1.868 -15.914 -8.520 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.291 -15.090 -8.566 1.00 0.31 H new ATOM 0 HG21 VAL A 788 1.284 -17.569 -9.510 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.837 -16.497 -8.202 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.655 -18.243 -7.905 1.00 0.33 H new ATOM 215 N TRP A 789 0.404 -14.620 -6.006 1.00 0.21 N ATOM 216 CA TRP A 789 1.330 -13.556 -5.632 1.00 0.18 C ATOM 217 C TRP A 789 2.062 -13.872 -4.336 1.00 0.18 C ATOM 218 O TRP A 789 1.442 -14.139 -3.307 1.00 0.19 O ATOM 219 CB TRP A 789 0.585 -12.232 -5.474 1.00 0.18 C ATOM 220 CG TRP A 789 0.310 -11.553 -6.778 1.00 0.20 C ATOM 221 CD1 TRP A 789 0.324 -12.125 -8.018 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.012 -10.174 -6.973 1.00 0.22 C ATOM 223 NE1 TRP A 789 0.030 -11.185 -8.972 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.180 -9.977 -8.356 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.173 -9.085 -6.111 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -0.504 -8.736 -8.896 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.494 -7.854 -6.648 1.00 0.28 C ATOM 228 CH2 TRP A 789 -0.656 -7.687 -8.029 1.00 0.30 C ATOM 0 H TRP A 789 -0.545 -14.301 -6.200 1.00 0.21 H new ATOM 0 HA TRP A 789 2.065 -13.476 -6.433 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.359 -12.412 -4.959 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.171 -11.566 -4.841 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.536 -13.165 -8.218 1.00 0.22 H new ATOM 0 HE1 TRP A 789 -0.024 -11.356 -9.976 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.049 -9.204 -5.045 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -0.631 -8.605 -9.960 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -0.622 -7.006 -5.992 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -0.906 -6.711 -8.418 1.00 0.30 H new ATOM 239 N ASN A 790 3.385 -13.804 -4.388 1.00 0.18 N ATOM 240 CA ASN A 790 4.207 -14.046 -3.214 1.00 0.20 C ATOM 241 C ASN A 790 4.493 -12.721 -2.527 1.00 0.18 C ATOM 242 O ASN A 790 4.222 -11.660 -3.091 1.00 0.20 O ATOM 243 CB ASN A 790 5.518 -14.734 -3.601 1.00 0.24 C ATOM 244 CG ASN A 790 5.699 -14.837 -5.104 1.00 0.93 C ATOM 245 OD1 ASN A 790 5.329 -15.836 -5.719 1.00 1.89 O ATOM 246 ND2 ASN A 790 6.272 -13.798 -5.703 1.00 0.77 N ATOM 0 H ASN A 790 3.911 -13.583 -5.233 1.00 0.18 H new ATOM 0 HA ASN A 790 3.670 -14.706 -2.532 1.00 0.20 H new ATOM 0 HB2 ASN A 790 6.355 -14.180 -3.175 1.00 0.24 H new ATOM 0 HB3 ASN A 790 5.542 -15.733 -3.166 1.00 0.24 H new ATOM 0 HD21 ASN A 790 6.420 -13.809 -6.712 1.00 0.77 H new ATOM 0 HD22 ASN A 790 6.564 -12.990 -5.154 1.00 0.77 H new ATOM 253 N PHE A 791 5.033 -12.768 -1.316 1.00 0.20 N ATOM 254 CA PHE A 791 5.340 -11.546 -0.583 1.00 0.20 C ATOM 255 C PHE A 791 6.222 -10.638 -1.428 1.00 0.16 C ATOM 256 O PHE A 791 6.224 -9.418 -1.258 1.00 0.17 O ATOM 257 CB PHE A 791 6.026 -11.876 0.745 1.00 0.26 C ATOM 258 CG PHE A 791 6.417 -10.666 1.547 1.00 0.35 C ATOM 259 CD1 PHE A 791 5.450 -9.837 2.093 1.00 0.44 C ATOM 260 CD2 PHE A 791 7.753 -10.360 1.755 1.00 0.47 C ATOM 261 CE1 PHE A 791 5.809 -8.725 2.833 1.00 0.57 C ATOM 262 CE2 PHE A 791 8.118 -9.249 2.492 1.00 0.59 C ATOM 263 CZ PHE A 791 7.144 -8.432 3.032 1.00 0.63 C ATOM 0 H PHE A 791 5.266 -13.631 -0.824 1.00 0.20 H new ATOM 0 HA PHE A 791 4.408 -11.024 -0.366 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.358 -12.496 1.343 1.00 0.26 H new ATOM 0 HB3 PHE A 791 6.918 -12.470 0.544 1.00 0.26 H new ATOM 0 HD1 PHE A 791 4.405 -10.062 1.939 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.518 -10.997 1.336 1.00 0.47 H new ATOM 0 HE1 PHE A 791 5.047 -8.087 3.255 1.00 0.57 H new ATOM 0 HE2 PHE A 791 9.162 -9.020 2.645 1.00 0.59 H new ATOM 0 HZ PHE A 791 7.426 -7.564 3.610 1.00 0.63 H new ATOM 273 N ASP A 792 6.951 -11.243 -2.358 1.00 0.17 N ATOM 274 CA ASP A 792 7.816 -10.495 -3.253 1.00 0.17 C ATOM 275 C ASP A 792 6.976 -9.749 -4.280 1.00 0.16 C ATOM 276 O ASP A 792 6.987 -8.520 -4.323 1.00 0.19 O ATOM 277 CB ASP A 792 8.793 -11.433 -3.963 1.00 0.22 C ATOM 278 CG ASP A 792 9.986 -10.698 -4.543 1.00 1.17 C ATOM 279 OD1 ASP A 792 10.364 -9.646 -3.985 1.00 1.47 O ATOM 280 OD2 ASP A 792 10.542 -11.175 -5.554 1.00 2.05 O ATOM 0 H ASP A 792 6.958 -12.252 -2.510 1.00 0.17 H new ATOM 0 HA ASP A 792 8.388 -9.777 -2.665 1.00 0.17 H new ATOM 0 HB2 ASP A 792 9.143 -12.188 -3.259 1.00 0.22 H new ATOM 0 HB3 ASP A 792 8.271 -11.959 -4.762 1.00 0.22 H new ATOM 285 N ASP A 793 6.231 -10.503 -5.090 1.00 0.17 N ATOM 286 CA ASP A 793 5.368 -9.911 -6.105 1.00 0.18 C ATOM 287 C ASP A 793 4.434 -8.891 -5.466 1.00 0.17 C ATOM 288 O ASP A 793 4.006 -7.932 -6.110 1.00 0.24 O ATOM 289 CB ASP A 793 4.556 -10.998 -6.813 1.00 0.19 C ATOM 290 CG ASP A 793 5.242 -11.507 -8.067 1.00 0.56 C ATOM 291 OD1 ASP A 793 5.661 -10.670 -8.894 1.00 1.07 O ATOM 292 OD2 ASP A 793 5.361 -12.740 -8.219 1.00 1.04 O ATOM 0 H ASP A 793 6.210 -11.522 -5.061 1.00 0.17 H new ATOM 0 HA ASP A 793 5.991 -9.406 -6.843 1.00 0.18 H new ATOM 0 HB2 ASP A 793 4.393 -11.830 -6.128 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.574 -10.603 -7.074 1.00 0.19 H new ATOM 297 N LEU A 794 4.139 -9.099 -4.186 1.00 0.14 N ATOM 298 CA LEU A 794 3.274 -8.195 -3.442 1.00 0.15 C ATOM 299 C LEU A 794 3.961 -6.853 -3.236 1.00 0.15 C ATOM 300 O LEU A 794 3.448 -5.807 -3.638 1.00 0.17 O ATOM 301 CB LEU A 794 2.912 -8.793 -2.078 1.00 0.19 C ATOM 302 CG LEU A 794 1.853 -8.018 -1.298 1.00 0.26 C ATOM 303 CD1 LEU A 794 0.558 -7.921 -2.094 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.604 -8.666 0.055 1.00 0.70 C ATOM 0 H LEU A 794 4.488 -9.889 -3.643 1.00 0.14 H new ATOM 0 HA LEU A 794 2.362 -8.049 -4.021 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.559 -9.813 -2.227 1.00 0.19 H new ATOM 0 HB3 LEU A 794 3.816 -8.854 -1.473 1.00 0.19 H new ATOM 0 HG LEU A 794 2.225 -7.007 -1.131 1.00 0.26 H new ATOM 0 HD11 LEU A 794 -0.182 -7.365 -1.519 1.00 0.93 H new ATOM 0 HD12 LEU A 794 0.747 -7.406 -3.036 1.00 0.93 H new ATOM 0 HD13 LEU A 794 0.180 -8.923 -2.298 1.00 0.93 H new ATOM 0 HD21 LEU A 794 0.846 -8.099 0.596 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.257 -9.689 -0.090 1.00 0.70 H new ATOM 0 HD23 LEU A 794 2.530 -8.675 0.630 1.00 0.70 H new ATOM 316 N ILE A 795 5.124 -6.898 -2.599 1.00 0.19 N ATOM 317 CA ILE A 795 5.902 -5.700 -2.320 1.00 0.22 C ATOM 318 C ILE A 795 6.224 -4.929 -3.595 1.00 0.21 C ATOM 319 O ILE A 795 6.312 -3.708 -3.571 1.00 0.23 O ATOM 320 CB ILE A 795 7.205 -6.052 -1.579 1.00 0.26 C ATOM 321 CG1 ILE A 795 6.897 -6.462 -0.134 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.192 -4.891 -1.608 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.205 -5.383 0.674 1.00 0.32 C ATOM 0 H ILE A 795 5.552 -7.761 -2.263 1.00 0.19 H new ATOM 0 HA ILE A 795 5.291 -5.062 -1.681 1.00 0.22 H new ATOM 0 HB ILE A 795 7.670 -6.893 -2.093 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.270 -7.353 -0.145 1.00 0.30 H new ATOM 0 HG13 ILE A 795 7.828 -6.734 0.363 1.00 0.30 H new ATOM 0 HG21 ILE A 795 9.101 -5.173 -1.076 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.437 -4.648 -2.642 1.00 0.28 H new ATOM 0 HG23 ILE A 795 7.745 -4.021 -1.127 1.00 0.28 H new ATOM 0 HD11 ILE A 795 6.020 -5.747 1.685 1.00 0.32 H new ATOM 0 HD12 ILE A 795 6.839 -4.498 0.718 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.257 -5.127 0.202 1.00 0.32 H new ATOM 335 N MET A 796 6.393 -5.640 -4.703 1.00 0.23 N ATOM 336 CA MET A 796 6.698 -4.993 -5.976 1.00 0.26 C ATOM 337 C MET A 796 5.516 -4.157 -6.449 1.00 0.23 C ATOM 338 O MET A 796 5.663 -2.972 -6.744 1.00 0.22 O ATOM 339 CB MET A 796 7.061 -6.031 -7.039 1.00 0.36 C ATOM 340 CG MET A 796 8.115 -7.029 -6.587 1.00 0.46 C ATOM 341 SD MET A 796 8.940 -7.840 -7.970 1.00 0.67 S ATOM 342 CE MET A 796 10.614 -7.963 -7.345 1.00 1.53 C ATOM 0 H MET A 796 6.325 -6.657 -4.748 1.00 0.23 H new ATOM 0 HA MET A 796 7.555 -4.337 -5.823 1.00 0.26 H new ATOM 0 HB2 MET A 796 6.160 -6.573 -7.327 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.421 -5.515 -7.929 1.00 0.36 H new ATOM 0 HG2 MET A 796 8.858 -6.516 -5.976 1.00 0.46 H new ATOM 0 HG3 MET A 796 7.648 -7.784 -5.954 1.00 0.46 H new ATOM 0 HE1 MET A 796 11.246 -8.445 -8.091 1.00 1.53 H new ATOM 0 HE2 MET A 796 10.998 -6.965 -7.134 1.00 1.53 H new ATOM 0 HE3 MET A 796 10.618 -8.554 -6.429 1.00 1.53 H new ATOM 352 N ALA A 797 4.340 -4.781 -6.511 1.00 0.26 N ATOM 353 CA ALA A 797 3.134 -4.084 -6.938 1.00 0.30 C ATOM 354 C ALA A 797 2.929 -2.828 -6.102 1.00 0.28 C ATOM 355 O ALA A 797 2.823 -1.721 -6.634 1.00 0.30 O ATOM 356 CB ALA A 797 1.926 -5.002 -6.830 1.00 0.38 C ATOM 0 H ALA A 797 4.200 -5.763 -6.272 1.00 0.26 H new ATOM 0 HA ALA A 797 3.249 -3.790 -7.981 1.00 0.30 H new ATOM 0 HB1 ALA A 797 1.033 -4.467 -7.152 1.00 0.38 H new ATOM 0 HB2 ALA A 797 2.075 -5.876 -7.465 1.00 0.38 H new ATOM 0 HB3 ALA A 797 1.804 -5.322 -5.795 1.00 0.38 H new ATOM 362 N ILE A 798 2.897 -3.009 -4.786 1.00 0.27 N ATOM 363 CA ILE A 798 2.728 -1.897 -3.865 1.00 0.31 C ATOM 364 C ILE A 798 3.808 -0.848 -4.091 1.00 0.29 C ATOM 365 O ILE A 798 3.518 0.342 -4.201 1.00 0.33 O ATOM 366 CB ILE A 798 2.785 -2.371 -2.404 1.00 0.35 C ATOM 367 CG1 ILE A 798 1.542 -3.204 -2.074 1.00 0.40 C ATOM 368 CG2 ILE A 798 2.916 -1.183 -1.461 1.00 0.42 C ATOM 369 CD1 ILE A 798 1.492 -3.685 -0.639 1.00 0.50 C ATOM 0 H ILE A 798 2.986 -3.919 -4.335 1.00 0.27 H new ATOM 0 HA ILE A 798 1.748 -1.460 -4.057 1.00 0.31 H new ATOM 0 HB ILE A 798 3.665 -3.000 -2.270 1.00 0.35 H new ATOM 0 HG12 ILE A 798 0.652 -2.609 -2.279 1.00 0.40 H new ATOM 0 HG13 ILE A 798 1.508 -4.068 -2.738 1.00 0.40 H new ATOM 0 HG21 ILE A 798 2.955 -1.538 -0.431 1.00 0.42 H new ATOM 0 HG22 ILE A 798 3.830 -0.635 -1.691 1.00 0.42 H new ATOM 0 HG23 ILE A 798 2.057 -0.524 -1.585 1.00 0.42 H new ATOM 0 HD11 ILE A 798 0.584 -4.267 -0.482 1.00 0.50 H new ATOM 0 HD12 ILE A 798 2.363 -4.308 -0.434 1.00 0.50 H new ATOM 0 HD13 ILE A 798 1.493 -2.827 0.033 1.00 0.50 H new ATOM 381 N ASN A 799 5.055 -1.304 -4.156 1.00 0.25 N ATOM 382 CA ASN A 799 6.189 -0.410 -4.367 1.00 0.29 C ATOM 383 C ASN A 799 6.033 0.378 -5.663 1.00 0.27 C ATOM 384 O ASN A 799 6.606 1.457 -5.815 1.00 0.36 O ATOM 385 CB ASN A 799 7.497 -1.199 -4.399 1.00 0.30 C ATOM 386 CG ASN A 799 8.603 -0.520 -3.614 1.00 0.38 C ATOM 387 OD1 ASN A 799 8.874 0.665 -3.800 1.00 0.81 O ATOM 388 ND2 ASN A 799 9.248 -1.271 -2.730 1.00 0.78 N ATOM 0 H ASN A 799 5.306 -2.288 -4.066 1.00 0.25 H new ATOM 0 HA ASN A 799 6.216 0.292 -3.534 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.326 -2.196 -3.993 1.00 0.30 H new ATOM 0 HB3 ASN A 799 7.816 -1.327 -5.434 1.00 0.30 H new ATOM 0 HD21 ASN A 799 10.002 -0.869 -2.172 1.00 0.78 H new ATOM 0 HD22 ASN A 799 8.990 -2.250 -2.608 1.00 0.78 H new ATOM 395 N SER A 800 5.253 -0.163 -6.592 1.00 0.22 N ATOM 396 CA SER A 800 5.021 0.496 -7.871 1.00 0.25 C ATOM 397 C SER A 800 3.956 1.577 -7.724 1.00 0.28 C ATOM 398 O SER A 800 3.903 2.526 -8.506 1.00 0.33 O ATOM 399 CB SER A 800 4.590 -0.523 -8.928 1.00 0.28 C ATOM 400 OG SER A 800 5.674 -0.877 -9.768 1.00 0.98 O ATOM 0 H SER A 800 4.771 -1.055 -6.483 1.00 0.22 H new ATOM 0 HA SER A 800 5.953 0.960 -8.193 1.00 0.25 H new ATOM 0 HB2 SER A 800 4.199 -1.415 -8.439 1.00 0.28 H new ATOM 0 HB3 SER A 800 3.781 -0.108 -9.529 1.00 0.28 H new ATOM 0 HG SER A 800 5.373 -1.530 -10.433 1.00 0.98 H new ATOM 406 N LYS A 801 3.107 1.418 -6.714 1.00 0.30 N ATOM 407 CA LYS A 801 2.034 2.371 -6.453 1.00 0.37 C ATOM 408 C LYS A 801 2.389 3.303 -5.296 1.00 0.40 C ATOM 409 O LYS A 801 1.617 4.200 -4.955 1.00 0.49 O ATOM 410 CB LYS A 801 0.735 1.626 -6.137 1.00 0.42 C ATOM 411 CG LYS A 801 -0.498 2.266 -6.753 1.00 0.67 C ATOM 412 CD LYS A 801 -0.750 1.744 -8.159 1.00 1.05 C ATOM 413 CE LYS A 801 -1.666 0.530 -8.147 1.00 1.43 C ATOM 414 NZ LYS A 801 -2.980 0.830 -7.515 1.00 2.25 N ATOM 0 H LYS A 801 3.142 0.635 -6.061 1.00 0.30 H new ATOM 0 HA LYS A 801 1.898 2.976 -7.349 1.00 0.37 H new ATOM 0 HB2 LYS A 801 0.818 0.600 -6.494 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.607 1.578 -5.056 1.00 0.42 H new ATOM 0 HG2 LYS A 801 -1.367 2.063 -6.127 1.00 0.67 H new ATOM 0 HG3 LYS A 801 -0.372 3.348 -6.782 1.00 0.67 H new ATOM 0 HD2 LYS A 801 -1.196 2.532 -8.766 1.00 1.05 H new ATOM 0 HD3 LYS A 801 0.199 1.480 -8.626 1.00 1.05 H new ATOM 0 HE2 LYS A 801 -1.825 0.186 -9.169 1.00 1.43 H new ATOM 0 HE3 LYS A 801 -1.182 -0.284 -7.608 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 -3.703 0.185 -7.894 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 -2.907 0.702 -6.485 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 -3.249 1.813 -7.724 1.00 2.25 H new ATOM 428 N ILE A 802 3.554 3.085 -4.690 1.00 0.39 N ATOM 429 CA ILE A 802 3.994 3.908 -3.568 1.00 0.45 C ATOM 430 C ILE A 802 5.326 4.590 -3.866 1.00 0.50 C ATOM 431 O ILE A 802 5.641 5.634 -3.295 1.00 0.60 O ATOM 432 CB ILE A 802 4.130 3.078 -2.276 1.00 0.47 C ATOM 433 CG1 ILE A 802 5.230 2.031 -2.418 1.00 0.42 C ATOM 434 CG2 ILE A 802 2.806 2.419 -1.927 1.00 0.49 C ATOM 435 CD1 ILE A 802 6.492 2.374 -1.655 1.00 0.75 C ATOM 0 H ILE A 802 4.207 2.348 -4.956 1.00 0.39 H new ATOM 0 HA ILE A 802 3.228 4.669 -3.422 1.00 0.45 H new ATOM 0 HB ILE A 802 4.406 3.751 -1.464 1.00 0.47 H new ATOM 0 HG12 ILE A 802 4.853 1.070 -2.068 1.00 0.42 H new ATOM 0 HG13 ILE A 802 5.474 1.913 -3.474 1.00 0.42 H new ATOM 0 HG21 ILE A 802 2.919 1.837 -1.012 1.00 0.49 H new ATOM 0 HG22 ILE A 802 2.046 3.186 -1.777 1.00 0.49 H new ATOM 0 HG23 ILE A 802 2.502 1.761 -2.741 1.00 0.49 H new ATOM 0 HD11 ILE A 802 7.231 1.586 -1.801 1.00 0.75 H new ATOM 0 HD12 ILE A 802 6.893 3.320 -2.021 1.00 0.75 H new ATOM 0 HD13 ILE A 802 6.262 2.464 -0.593 1.00 0.75 H new ATOM 447 N SER A 803 6.105 3.993 -4.759 1.00 0.45 N ATOM 448 CA SER A 803 7.403 4.542 -5.130 1.00 0.53 C ATOM 449 C SER A 803 7.578 4.544 -6.646 1.00 0.61 C ATOM 450 O SER A 803 8.678 4.773 -7.153 1.00 1.19 O ATOM 451 CB SER A 803 8.526 3.737 -4.469 1.00 0.60 C ATOM 452 OG SER A 803 9.800 4.229 -4.845 1.00 1.53 O ATOM 0 H SER A 803 5.860 3.128 -5.240 1.00 0.45 H new ATOM 0 HA SER A 803 7.452 5.573 -4.779 1.00 0.53 H new ATOM 0 HB2 SER A 803 8.421 3.784 -3.385 1.00 0.60 H new ATOM 0 HB3 SER A 803 8.440 2.688 -4.753 1.00 0.60 H new ATOM 0 HG SER A 803 9.735 4.674 -5.716 1.00 1.53 H new ATOM 458 N ASN A 804 6.485 4.290 -7.361 1.00 0.84 N ATOM 459 CA ASN A 804 6.509 4.264 -8.820 1.00 0.93 C ATOM 460 C ASN A 804 7.535 3.258 -9.333 1.00 1.53 C ATOM 461 O ASN A 804 7.995 2.391 -8.588 1.00 2.42 O ATOM 462 CB ASN A 804 6.821 5.657 -9.372 1.00 1.40 C ATOM 463 CG ASN A 804 5.735 6.170 -10.297 1.00 2.04 C ATOM 464 OD1 ASN A 804 5.307 5.474 -11.216 1.00 2.43 O ATOM 465 ND2 ASN A 804 5.283 7.395 -10.056 1.00 2.83 N ATOM 0 H ASN A 804 5.570 4.099 -6.952 1.00 0.84 H new ATOM 0 HA ASN A 804 5.523 3.956 -9.167 1.00 0.93 H new ATOM 0 HB2 ASN A 804 6.947 6.353 -8.543 1.00 1.40 H new ATOM 0 HB3 ASN A 804 7.768 5.628 -9.910 1.00 1.40 H new ATOM 0 HD21 ASN A 804 4.552 7.794 -10.645 1.00 2.83 H new ATOM 0 HD22 ASN A 804 5.667 7.937 -9.282 1.00 2.83 H new ATOM 472 N THR A 805 7.890 3.379 -10.608 1.00 1.86 N ATOM 473 CA THR A 805 8.864 2.479 -11.217 1.00 2.72 C ATOM 474 C THR A 805 10.287 2.945 -10.937 1.00 3.19 C ATOM 475 O THR A 805 11.217 2.138 -10.896 1.00 3.83 O ATOM 476 CB THR A 805 8.659 2.376 -12.739 1.00 3.49 C ATOM 477 OG1 THR A 805 8.293 3.655 -13.273 1.00 3.73 O ATOM 478 CG2 THR A 805 7.580 1.356 -13.072 1.00 4.20 C ATOM 0 H THR A 805 7.519 4.090 -11.239 1.00 1.86 H new ATOM 0 HA THR A 805 8.711 1.496 -10.772 1.00 2.72 H new ATOM 0 HB THR A 805 9.597 2.050 -13.188 1.00 3.49 H new ATOM 0 HG1 THR A 805 8.166 3.581 -14.242 1.00 3.73 H new ATOM 0 HG21 THR A 805 7.453 1.301 -14.153 1.00 4.20 H new ATOM 0 HG22 THR A 805 7.874 0.378 -12.691 1.00 4.20 H new ATOM 0 HG23 THR A 805 6.639 1.658 -12.611 1.00 4.20 H new ATOM 486 N HIS A 806 10.449 4.249 -10.744 1.00 3.41 N ATOM 487 CA HIS A 806 11.759 4.827 -10.467 1.00 4.17 C ATOM 488 C HIS A 806 11.816 5.387 -9.049 1.00 4.02 C ATOM 489 O HIS A 806 10.858 5.999 -8.576 1.00 4.30 O ATOM 490 CB HIS A 806 12.081 5.929 -11.477 1.00 5.13 C ATOM 491 CG HIS A 806 13.522 5.965 -11.882 1.00 6.08 C ATOM 492 ND1 HIS A 806 13.935 5.980 -13.197 1.00 6.75 N ATOM 493 CD2 HIS A 806 14.650 5.985 -11.135 1.00 6.77 C ATOM 494 CE1 HIS A 806 15.255 6.009 -13.242 1.00 7.67 C ATOM 495 NE2 HIS A 806 15.713 6.013 -12.004 1.00 7.69 N ATOM 0 H HIS A 806 9.688 4.927 -10.774 1.00 3.41 H new ATOM 0 HA HIS A 806 12.503 4.036 -10.557 1.00 4.17 H new ATOM 0 HB2 HIS A 806 11.465 5.788 -12.365 1.00 5.13 H new ATOM 0 HB3 HIS A 806 11.808 6.894 -11.050 1.00 5.13 H new ATOM 0 HD2 HIS A 806 14.704 5.980 -10.056 1.00 6.77 H new ATOM 0 HE1 HIS A 806 15.857 6.026 -14.139 1.00 7.67 H new ATOM 0 HE2 HIS A 806 16.697 6.034 -11.736 1.00 7.69 H new ATOM 504 N ASN A 807 12.943 5.173 -8.377 1.00 4.10 N ATOM 505 CA ASN A 807 13.123 5.655 -7.013 1.00 4.41 C ATOM 506 C ASN A 807 13.902 6.965 -6.993 1.00 4.33 C ATOM 507 O ASN A 807 15.100 6.993 -7.279 1.00 4.37 O ATOM 508 CB ASN A 807 13.847 4.606 -6.167 1.00 4.84 C ATOM 509 CG ASN A 807 14.096 5.081 -4.748 1.00 5.63 C ATOM 510 OD1 ASN A 807 15.219 5.022 -4.249 1.00 6.02 O ATOM 511 ND2 ASN A 807 13.043 5.557 -4.091 1.00 6.22 N ATOM 0 H ASN A 807 13.745 4.669 -8.755 1.00 4.10 H new ATOM 0 HA ASN A 807 12.135 5.835 -6.589 1.00 4.41 H new ATOM 0 HB2 ASN A 807 13.255 3.691 -6.143 1.00 4.84 H new ATOM 0 HB3 ASN A 807 14.799 4.358 -6.637 1.00 4.84 H new ATOM 0 HD21 ASN A 807 13.148 5.892 -3.133 1.00 6.22 H new ATOM 0 HD22 ASN A 807 12.130 5.587 -4.545 1.00 6.22 H new ATOM 518 N ASN A 808 13.215 8.048 -6.646 1.00 4.61 N ATOM 519 CA ASN A 808 13.840 9.365 -6.581 1.00 4.89 C ATOM 520 C ASN A 808 13.949 9.840 -5.135 1.00 4.54 C ATOM 521 O ASN A 808 13.343 10.842 -4.752 1.00 4.85 O ATOM 522 CB ASN A 808 13.040 10.373 -7.407 1.00 5.45 C ATOM 523 CG ASN A 808 13.839 10.938 -8.564 1.00 6.15 C ATOM 524 OD1 ASN A 808 15.046 11.157 -8.454 1.00 6.37 O ATOM 525 ND2 ASN A 808 13.168 11.180 -9.684 1.00 6.83 N ATOM 0 H ASN A 808 12.224 8.040 -6.405 1.00 4.61 H new ATOM 0 HA ASN A 808 14.845 9.287 -6.996 1.00 4.89 H new ATOM 0 HB2 ASN A 808 12.141 9.891 -7.791 1.00 5.45 H new ATOM 0 HB3 ASN A 808 12.714 11.189 -6.762 1.00 5.45 H new ATOM 0 HD21 ASN A 808 13.652 11.562 -10.496 1.00 6.83 H new ATOM 0 HD22 ASN A 808 12.168 10.984 -9.732 1.00 6.83 H new ATOM 532 N ASN A 809 14.725 9.109 -4.336 1.00 4.24 N ATOM 533 CA ASN A 809 14.914 9.449 -2.930 1.00 4.01 C ATOM 534 C ASN A 809 13.576 9.500 -2.199 1.00 3.02 C ATOM 535 O ASN A 809 13.228 10.511 -1.586 1.00 3.13 O ATOM 536 CB ASN A 809 15.637 10.792 -2.798 1.00 4.74 C ATOM 537 CG ASN A 809 16.904 10.690 -1.972 1.00 5.63 C ATOM 538 OD1 ASN A 809 16.856 10.650 -0.743 1.00 5.91 O ATOM 539 ND2 ASN A 809 18.048 10.646 -2.646 1.00 6.41 N ATOM 0 H ASN A 809 15.232 8.278 -4.640 1.00 4.24 H new ATOM 0 HA ASN A 809 15.527 8.672 -2.473 1.00 4.01 H new ATOM 0 HB2 ASN A 809 15.884 11.167 -3.791 1.00 4.74 H new ATOM 0 HB3 ASN A 809 14.966 11.519 -2.340 1.00 4.74 H new ATOM 0 HD21 ASN A 809 18.933 10.576 -2.144 1.00 6.41 H new ATOM 0 HD22 ASN A 809 18.041 10.682 -3.665 1.00 6.41 H new ATOM 546 N ILE A 810 12.827 8.404 -2.273 1.00 2.60 N ATOM 547 CA ILE A 810 11.524 8.322 -1.622 1.00 2.14 C ATOM 548 C ILE A 810 11.518 7.245 -0.543 1.00 1.67 C ATOM 549 O ILE A 810 10.588 7.162 0.258 1.00 2.29 O ATOM 550 CB ILE A 810 10.403 8.024 -2.637 1.00 3.00 C ATOM 551 CG1 ILE A 810 10.773 8.564 -4.020 1.00 3.79 C ATOM 552 CG2 ILE A 810 9.087 8.627 -2.166 1.00 3.71 C ATOM 553 CD1 ILE A 810 9.991 7.925 -5.146 1.00 4.78 C ATOM 0 H ILE A 810 13.100 7.560 -2.777 1.00 2.60 H new ATOM 0 HA ILE A 810 11.337 9.294 -1.165 1.00 2.14 H new ATOM 0 HB ILE A 810 10.283 6.943 -2.710 1.00 3.00 H new ATOM 0 HG12 ILE A 810 10.606 9.641 -4.038 1.00 3.79 H new ATOM 0 HG13 ILE A 810 11.838 8.404 -4.191 1.00 3.79 H new ATOM 0 HG21 ILE A 810 8.305 8.408 -2.893 1.00 3.71 H new ATOM 0 HG22 ILE A 810 8.815 8.199 -1.201 1.00 3.71 H new ATOM 0 HG23 ILE A 810 9.197 9.707 -2.066 1.00 3.71 H new ATOM 0 HD11 ILE A 810 10.305 8.355 -6.097 1.00 4.78 H new ATOM 0 HD12 ILE A 810 10.177 6.851 -5.155 1.00 4.78 H new ATOM 0 HD13 ILE A 810 8.926 8.107 -4.999 1.00 4.78 H new ATOM 565 N SER A 811 12.565 6.422 -0.534 1.00 1.31 N ATOM 566 CA SER A 811 12.693 5.345 0.443 1.00 0.97 C ATOM 567 C SER A 811 11.522 4.367 0.342 1.00 0.83 C ATOM 568 O SER A 811 10.467 4.587 0.937 1.00 0.94 O ATOM 569 CB SER A 811 12.778 5.917 1.861 1.00 1.31 C ATOM 570 OG SER A 811 13.985 5.531 2.496 1.00 1.80 O ATOM 0 H SER A 811 13.339 6.482 -1.195 1.00 1.31 H new ATOM 0 HA SER A 811 13.612 4.802 0.223 1.00 0.97 H new ATOM 0 HB2 SER A 811 12.716 7.005 1.822 1.00 1.31 H new ATOM 0 HB3 SER A 811 11.928 5.570 2.448 1.00 1.31 H new ATOM 0 HG SER A 811 14.015 5.910 3.399 1.00 1.80 H new ATOM 576 N PRO A 812 11.697 3.267 -0.418 1.00 0.70 N ATOM 577 CA PRO A 812 10.653 2.247 -0.596 1.00 0.66 C ATOM 578 C PRO A 812 10.221 1.624 0.729 1.00 0.62 C ATOM 579 O PRO A 812 10.590 2.103 1.801 1.00 0.73 O ATOM 580 CB PRO A 812 11.319 1.194 -1.488 1.00 0.70 C ATOM 581 CG PRO A 812 12.444 1.908 -2.153 1.00 0.95 C ATOM 582 CD PRO A 812 12.922 2.928 -1.162 1.00 0.77 C ATOM 0 HA PRO A 812 9.745 2.670 -1.025 1.00 0.66 H new ATOM 0 HB2 PRO A 812 11.680 0.350 -0.900 1.00 0.70 H new ATOM 0 HB3 PRO A 812 10.617 0.796 -2.220 1.00 0.70 H new ATOM 0 HG2 PRO A 812 13.243 1.216 -2.419 1.00 0.95 H new ATOM 0 HG3 PRO A 812 12.114 2.384 -3.076 1.00 0.95 H new ATOM 0 HD2 PRO A 812 13.693 2.523 -0.507 1.00 0.77 H new ATOM 0 HD3 PRO A 812 13.349 3.801 -1.656 1.00 0.77 H new ATOM 590 N ILE A 813 9.438 0.552 0.650 1.00 0.62 N ATOM 591 CA ILE A 813 8.960 -0.130 1.846 1.00 0.61 C ATOM 592 C ILE A 813 9.069 -1.645 1.705 1.00 0.59 C ATOM 593 O ILE A 813 9.054 -2.179 0.597 1.00 0.75 O ATOM 594 CB ILE A 813 7.498 0.241 2.158 1.00 0.70 C ATOM 595 CG1 ILE A 813 6.598 -0.112 0.972 1.00 1.22 C ATOM 596 CG2 ILE A 813 7.387 1.722 2.494 1.00 1.05 C ATOM 597 CD1 ILE A 813 5.120 -0.028 1.286 1.00 1.94 C ATOM 0 H ILE A 813 9.122 0.139 -0.227 1.00 0.62 H new ATOM 0 HA ILE A 813 9.596 0.199 2.668 1.00 0.61 H new ATOM 0 HB ILE A 813 7.168 -0.332 3.024 1.00 0.70 H new ATOM 0 HG12 ILE A 813 6.823 0.559 0.143 1.00 1.22 H new ATOM 0 HG13 ILE A 813 6.833 -1.122 0.637 1.00 1.22 H new ATOM 0 HG21 ILE A 813 6.348 1.969 2.712 1.00 1.05 H new ATOM 0 HG22 ILE A 813 8.003 1.945 3.365 1.00 1.05 H new ATOM 0 HG23 ILE A 813 7.730 2.314 1.646 1.00 1.05 H new ATOM 0 HD11 ILE A 813 4.544 -0.291 0.399 1.00 1.94 H new ATOM 0 HD12 ILE A 813 4.880 -0.720 2.093 1.00 1.94 H new ATOM 0 HD13 ILE A 813 4.870 0.988 1.592 1.00 1.94 H new ATOM 609 N THR A 814 9.171 -2.330 2.841 1.00 0.49 N ATOM 610 CA THR A 814 9.278 -3.783 2.856 1.00 0.49 C ATOM 611 C THR A 814 8.330 -4.386 3.888 1.00 0.47 C ATOM 612 O THR A 814 7.393 -5.105 3.539 1.00 0.54 O ATOM 613 CB THR A 814 10.715 -4.240 3.164 1.00 0.53 C ATOM 614 OG1 THR A 814 11.255 -3.469 4.244 1.00 1.16 O ATOM 615 CG2 THR A 814 11.604 -4.093 1.938 1.00 1.07 C ATOM 0 H THR A 814 9.182 -1.899 3.765 1.00 0.49 H new ATOM 0 HA THR A 814 9.004 -4.133 1.861 1.00 0.49 H new ATOM 0 HB THR A 814 10.684 -5.292 3.449 1.00 0.53 H new ATOM 0 HG1 THR A 814 12.169 -3.768 4.434 1.00 1.16 H new ATOM 0 HG21 THR A 814 12.615 -4.422 2.180 1.00 1.07 H new ATOM 0 HG22 THR A 814 11.208 -4.703 1.126 1.00 1.07 H new ATOM 0 HG23 THR A 814 11.627 -3.048 1.628 1.00 1.07 H new ATOM 623 N LYS A 815 8.574 -4.077 5.159 1.00 0.42 N ATOM 624 CA LYS A 815 7.737 -4.577 6.244 1.00 0.42 C ATOM 625 C LYS A 815 6.557 -3.640 6.477 1.00 0.40 C ATOM 626 O LYS A 815 6.743 -2.446 6.714 1.00 0.48 O ATOM 627 CB LYS A 815 8.557 -4.712 7.529 1.00 0.49 C ATOM 628 CG LYS A 815 8.804 -6.153 7.946 1.00 0.89 C ATOM 629 CD LYS A 815 10.283 -6.419 8.177 1.00 1.30 C ATOM 630 CE LYS A 815 10.503 -7.719 8.930 1.00 1.97 C ATOM 631 NZ LYS A 815 10.589 -7.501 10.400 1.00 2.69 N ATOM 0 H LYS A 815 9.345 -3.482 5.462 1.00 0.42 H new ATOM 0 HA LYS A 815 7.358 -5.559 5.963 1.00 0.42 H new ATOM 0 HB2 LYS A 815 9.516 -4.213 7.392 1.00 0.49 H new ATOM 0 HB3 LYS A 815 8.040 -4.193 8.336 1.00 0.49 H new ATOM 0 HG2 LYS A 815 8.247 -6.370 8.858 1.00 0.89 H new ATOM 0 HG3 LYS A 815 8.428 -6.826 7.175 1.00 0.89 H new ATOM 0 HD2 LYS A 815 10.800 -6.460 7.219 1.00 1.30 H new ATOM 0 HD3 LYS A 815 10.719 -5.593 8.739 1.00 1.30 H new ATOM 0 HE2 LYS A 815 9.686 -8.407 8.712 1.00 1.97 H new ATOM 0 HE3 LYS A 815 11.420 -8.191 8.579 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 10.739 -8.412 10.878 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 11.384 -6.864 10.611 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 9.704 -7.074 10.740 1.00 2.69 H new ATOM 645 N ILE A 816 5.343 -4.177 6.396 1.00 0.36 N ATOM 646 CA ILE A 816 4.144 -3.370 6.589 1.00 0.38 C ATOM 647 C ILE A 816 3.038 -4.153 7.292 1.00 0.33 C ATOM 648 O ILE A 816 3.162 -5.354 7.528 1.00 0.37 O ATOM 649 CB ILE A 816 3.601 -2.846 5.245 1.00 0.41 C ATOM 650 CG1 ILE A 816 3.795 -3.892 4.144 1.00 0.59 C ATOM 651 CG2 ILE A 816 4.285 -1.539 4.869 1.00 0.84 C ATOM 652 CD1 ILE A 816 2.729 -4.966 4.135 1.00 0.53 C ATOM 0 H ILE A 816 5.165 -5.162 6.199 1.00 0.36 H new ATOM 0 HA ILE A 816 4.438 -2.530 7.218 1.00 0.38 H new ATOM 0 HB ILE A 816 2.533 -2.657 5.353 1.00 0.41 H new ATOM 0 HG12 ILE A 816 3.803 -3.391 3.176 1.00 0.59 H new ATOM 0 HG13 ILE A 816 4.771 -4.361 4.268 1.00 0.59 H new ATOM 0 HG21 ILE A 816 3.890 -1.182 3.918 1.00 0.84 H new ATOM 0 HG22 ILE A 816 4.096 -0.794 5.642 1.00 0.84 H new ATOM 0 HG23 ILE A 816 5.359 -1.703 4.778 1.00 0.84 H new ATOM 0 HD11 ILE A 816 2.931 -5.672 3.329 1.00 0.53 H new ATOM 0 HD12 ILE A 816 2.735 -5.493 5.089 1.00 0.53 H new ATOM 0 HD13 ILE A 816 1.752 -4.508 3.980 1.00 0.53 H new ATOM 664 N LYS A 817 1.954 -3.454 7.615 1.00 0.32 N ATOM 665 CA LYS A 817 0.809 -4.062 8.283 1.00 0.31 C ATOM 666 C LYS A 817 -0.345 -4.242 7.299 1.00 0.32 C ATOM 667 O LYS A 817 -0.277 -3.774 6.164 1.00 0.59 O ATOM 668 CB LYS A 817 0.361 -3.188 9.456 1.00 0.37 C ATOM 669 CG LYS A 817 1.411 -3.047 10.544 1.00 0.39 C ATOM 670 CD LYS A 817 0.904 -3.577 11.876 1.00 0.38 C ATOM 671 CE LYS A 817 1.607 -2.909 13.047 1.00 0.50 C ATOM 672 NZ LYS A 817 1.849 -1.462 12.798 1.00 0.85 N ATOM 0 H LYS A 817 1.845 -2.458 7.423 1.00 0.32 H new ATOM 0 HA LYS A 817 1.105 -5.041 8.660 1.00 0.31 H new ATOM 0 HB2 LYS A 817 0.102 -2.197 9.082 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.545 -3.612 9.889 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.312 -3.588 10.255 1.00 0.39 H new ATOM 0 HG3 LYS A 817 1.689 -1.998 10.650 1.00 0.39 H new ATOM 0 HD2 LYS A 817 -0.170 -3.408 11.951 1.00 0.38 H new ATOM 0 HD3 LYS A 817 1.061 -4.655 11.923 1.00 0.38 H new ATOM 0 HE2 LYS A 817 1.004 -3.026 13.947 1.00 0.50 H new ATOM 0 HE3 LYS A 817 2.557 -3.409 13.233 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 2.268 -1.029 13.646 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 2.501 -1.352 11.995 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 0.948 -0.992 12.579 1.00 0.85 H new ATOM 686 N TYR A 818 -1.403 -4.918 7.738 1.00 0.23 N ATOM 687 CA TYR A 818 -2.560 -5.144 6.878 1.00 0.22 C ATOM 688 C TYR A 818 -3.815 -5.436 7.697 1.00 0.23 C ATOM 689 O TYR A 818 -3.736 -5.763 8.880 1.00 0.31 O ATOM 690 CB TYR A 818 -2.285 -6.289 5.901 1.00 0.26 C ATOM 691 CG TYR A 818 -2.266 -7.661 6.539 1.00 0.30 C ATOM 692 CD1 TYR A 818 -1.250 -8.027 7.413 1.00 0.46 C ATOM 693 CD2 TYR A 818 -3.258 -8.591 6.258 1.00 0.41 C ATOM 694 CE1 TYR A 818 -1.225 -9.283 7.990 1.00 0.58 C ATOM 695 CE2 TYR A 818 -3.240 -9.848 6.830 1.00 0.51 C ATOM 696 CZ TYR A 818 -2.222 -10.190 7.694 1.00 0.56 C ATOM 697 OH TYR A 818 -2.200 -11.441 8.267 1.00 0.71 O ATOM 0 H TYR A 818 -1.483 -5.315 8.674 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.735 -4.230 6.310 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -3.045 -6.275 5.120 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.325 -6.114 5.415 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -0.468 -7.319 7.645 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -4.057 -8.327 5.581 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -0.429 -9.553 8.669 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -4.020 -10.559 6.601 1.00 0.51 H new ATOM 0 HH TYR A 818 -2.973 -11.957 7.956 1.00 0.71 H new ATOM 707 N GLN A 819 -4.971 -5.310 7.053 1.00 0.27 N ATOM 708 CA GLN A 819 -6.247 -5.551 7.705 1.00 0.34 C ATOM 709 C GLN A 819 -6.566 -7.038 7.730 1.00 0.40 C ATOM 710 O GLN A 819 -6.892 -7.638 6.704 1.00 0.45 O ATOM 711 CB GLN A 819 -7.360 -4.777 6.991 1.00 0.44 C ATOM 712 CG GLN A 819 -8.762 -5.239 7.355 1.00 0.56 C ATOM 713 CD GLN A 819 -9.597 -4.132 7.971 1.00 1.14 C ATOM 714 OE1 GLN A 819 -10.120 -3.269 7.265 1.00 1.91 O ATOM 715 NE2 GLN A 819 -9.726 -4.154 9.291 1.00 1.44 N ATOM 0 H GLN A 819 -5.047 -5.040 6.072 1.00 0.27 H new ATOM 0 HA GLN A 819 -6.181 -5.200 8.735 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -7.263 -3.718 7.230 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.224 -4.875 5.914 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -9.262 -5.612 6.461 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.696 -6.072 8.055 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -9.274 -4.889 9.835 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -10.277 -3.436 9.762 1.00 1.44 H new ATOM 724 N ASP A 820 -6.465 -7.622 8.913 1.00 0.43 N ATOM 725 CA ASP A 820 -6.736 -9.044 9.098 1.00 0.53 C ATOM 726 C ASP A 820 -8.240 -9.306 9.160 1.00 0.62 C ATOM 727 O ASP A 820 -9.045 -8.383 9.030 1.00 0.65 O ATOM 728 CB ASP A 820 -6.057 -9.548 10.376 1.00 0.58 C ATOM 729 CG ASP A 820 -6.980 -9.526 11.579 1.00 1.13 C ATOM 730 OD1 ASP A 820 -7.460 -8.431 11.939 1.00 1.80 O ATOM 731 OD2 ASP A 820 -7.223 -10.606 12.159 1.00 1.34 O ATOM 0 H ASP A 820 -6.196 -7.132 9.766 1.00 0.43 H new ATOM 0 HA ASP A 820 -6.330 -9.586 8.244 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -5.701 -10.566 10.216 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -5.182 -8.933 10.584 1.00 0.58 H new ATOM 736 N GLU A 821 -8.611 -10.570 9.353 1.00 0.71 N ATOM 737 CA GLU A 821 -10.018 -10.952 9.424 1.00 0.82 C ATOM 738 C GLU A 821 -10.586 -10.719 10.823 1.00 0.83 C ATOM 739 O GLU A 821 -11.387 -11.512 11.319 1.00 0.97 O ATOM 740 CB GLU A 821 -10.188 -12.421 9.033 1.00 0.96 C ATOM 741 CG GLU A 821 -9.292 -13.367 9.815 1.00 1.10 C ATOM 742 CD GLU A 821 -9.702 -14.819 9.661 1.00 1.30 C ATOM 743 OE1 GLU A 821 -10.915 -15.105 9.747 1.00 1.53 O ATOM 744 OE2 GLU A 821 -8.811 -15.669 9.455 1.00 1.62 O ATOM 0 H GLU A 821 -7.957 -11.345 9.463 1.00 0.71 H new ATOM 0 HA GLU A 821 -10.570 -10.326 8.723 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -11.228 -12.711 9.185 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -9.978 -12.532 7.969 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -8.262 -13.247 9.479 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -9.317 -13.096 10.871 1.00 1.10 H new ATOM 751 N ASP A 822 -10.174 -9.622 11.452 1.00 0.79 N ATOM 752 CA ASP A 822 -10.649 -9.286 12.788 1.00 0.81 C ATOM 753 C ASP A 822 -10.903 -7.786 12.913 1.00 0.73 C ATOM 754 O ASP A 822 -11.148 -7.277 14.006 1.00 0.78 O ATOM 755 CB ASP A 822 -9.636 -9.734 13.844 1.00 0.86 C ATOM 756 CG ASP A 822 -9.728 -11.218 14.138 1.00 1.20 C ATOM 757 OD1 ASP A 822 -10.861 -11.742 14.204 1.00 1.65 O ATOM 758 OD2 ASP A 822 -8.668 -11.859 14.301 1.00 1.56 O ATOM 0 H ASP A 822 -9.513 -8.952 11.058 1.00 0.79 H new ATOM 0 HA ASP A 822 -11.589 -9.812 12.954 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -8.629 -9.496 13.502 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -9.801 -9.173 14.764 1.00 0.86 H new ATOM 763 N GLY A 823 -10.842 -7.086 11.783 1.00 0.68 N ATOM 764 CA GLY A 823 -11.067 -5.651 11.787 1.00 0.70 C ATOM 765 C GLY A 823 -9.999 -4.904 12.560 1.00 0.67 C ATOM 766 O GLY A 823 -10.308 -4.064 13.406 1.00 0.88 O ATOM 0 H GLY A 823 -10.641 -7.486 10.867 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -11.091 -5.286 10.760 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -12.043 -5.440 12.223 1.00 0.70 H new ATOM 770 N ASP A 824 -8.738 -5.212 12.268 1.00 0.54 N ATOM 771 CA ASP A 824 -7.616 -4.572 12.938 1.00 0.57 C ATOM 772 C ASP A 824 -6.307 -4.912 12.236 1.00 0.55 C ATOM 773 O ASP A 824 -6.052 -6.069 11.894 1.00 0.93 O ATOM 774 CB ASP A 824 -7.551 -5.006 14.404 1.00 0.65 C ATOM 775 CG ASP A 824 -6.438 -4.311 15.163 1.00 1.15 C ATOM 776 OD1 ASP A 824 -6.314 -3.075 15.033 1.00 1.86 O ATOM 777 OD2 ASP A 824 -5.693 -5.002 15.888 1.00 1.48 O ATOM 0 H ASP A 824 -8.470 -5.904 11.568 1.00 0.54 H new ATOM 0 HA ASP A 824 -7.765 -3.493 12.896 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -8.505 -4.792 14.886 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -7.403 -6.085 14.455 1.00 0.65 H new ATOM 782 N PHE A 825 -5.484 -3.895 12.022 1.00 0.42 N ATOM 783 CA PHE A 825 -4.197 -4.072 11.360 1.00 0.37 C ATOM 784 C PHE A 825 -3.279 -4.966 12.187 1.00 0.38 C ATOM 785 O PHE A 825 -3.177 -4.812 13.404 1.00 0.44 O ATOM 786 CB PHE A 825 -3.529 -2.716 11.128 1.00 0.39 C ATOM 787 CG PHE A 825 -4.310 -1.811 10.218 1.00 0.41 C ATOM 788 CD1 PHE A 825 -4.304 -2.010 8.847 1.00 0.38 C ATOM 789 CD2 PHE A 825 -5.051 -0.762 10.737 1.00 0.59 C ATOM 790 CE1 PHE A 825 -5.023 -1.179 8.009 1.00 0.43 C ATOM 791 CE2 PHE A 825 -5.773 0.072 9.904 1.00 0.64 C ATOM 792 CZ PHE A 825 -5.759 -0.137 8.538 1.00 0.52 C ATOM 0 H PHE A 825 -5.685 -2.934 12.298 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.375 -4.553 10.398 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.389 -2.220 12.088 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.537 -2.876 10.705 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -3.731 -2.824 8.428 1.00 0.38 H new ATOM 0 HD2 PHE A 825 -5.065 -0.594 11.804 1.00 0.59 H new ATOM 0 HE1 PHE A 825 -5.009 -1.344 6.942 1.00 0.43 H new ATOM 0 HE2 PHE A 825 -6.348 0.886 10.320 1.00 0.64 H new ATOM 0 HZ PHE A 825 -6.323 0.513 7.885 1.00 0.52 H new ATOM 802 N VAL A 826 -2.606 -5.896 11.518 1.00 0.38 N ATOM 803 CA VAL A 826 -1.690 -6.808 12.189 1.00 0.45 C ATOM 804 C VAL A 826 -0.316 -6.772 11.527 1.00 0.36 C ATOM 805 O VAL A 826 -0.108 -6.045 10.555 1.00 0.31 O ATOM 806 CB VAL A 826 -2.223 -8.254 12.182 1.00 0.54 C ATOM 807 CG1 VAL A 826 -3.298 -8.435 13.244 1.00 0.97 C ATOM 808 CG2 VAL A 826 -2.761 -8.617 10.810 1.00 0.79 C ATOM 0 H VAL A 826 -2.679 -6.037 10.510 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.605 -6.476 13.224 1.00 0.45 H new ATOM 0 HB VAL A 826 -1.396 -8.925 12.415 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -3.661 -9.462 13.223 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -2.879 -8.219 14.227 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -4.125 -7.754 13.044 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -3.133 -9.641 10.824 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -3.573 -7.940 10.547 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -1.963 -8.531 10.072 1.00 0.79 H new ATOM 818 N VAL A 827 0.621 -7.551 12.059 1.00 0.37 N ATOM 819 CA VAL A 827 1.975 -7.588 11.517 1.00 0.33 C ATOM 820 C VAL A 827 2.178 -8.789 10.599 1.00 0.30 C ATOM 821 O VAL A 827 2.139 -9.938 11.041 1.00 0.35 O ATOM 822 CB VAL A 827 3.034 -7.637 12.635 1.00 0.41 C ATOM 823 CG1 VAL A 827 4.270 -6.845 12.234 1.00 0.52 C ATOM 824 CG2 VAL A 827 2.463 -7.118 13.949 1.00 0.56 C ATOM 0 H VAL A 827 0.469 -8.162 12.861 1.00 0.37 H new ATOM 0 HA VAL A 827 2.100 -6.669 10.944 1.00 0.33 H new ATOM 0 HB VAL A 827 3.325 -8.677 12.783 1.00 0.41 H new ATOM 0 HG11 VAL A 827 5.007 -6.891 13.036 1.00 0.52 H new ATOM 0 HG12 VAL A 827 4.695 -7.270 11.325 1.00 0.52 H new ATOM 0 HG13 VAL A 827 3.994 -5.806 12.054 1.00 0.52 H new ATOM 0 HG21 VAL A 827 3.230 -7.163 14.722 1.00 0.56 H new ATOM 0 HG22 VAL A 827 2.136 -6.086 13.821 1.00 0.56 H new ATOM 0 HG23 VAL A 827 1.613 -7.733 14.245 1.00 0.56 H new ATOM 834 N LEU A 828 2.400 -8.508 9.319 1.00 0.26 N ATOM 835 CA LEU A 828 2.616 -9.556 8.329 1.00 0.28 C ATOM 836 C LEU A 828 4.072 -10.016 8.333 1.00 0.46 C ATOM 837 O LEU A 828 4.985 -9.213 8.139 1.00 0.60 O ATOM 838 CB LEU A 828 2.229 -9.058 6.933 1.00 0.31 C ATOM 839 CG LEU A 828 2.277 -10.116 5.829 1.00 0.45 C ATOM 840 CD1 LEU A 828 0.914 -10.766 5.653 1.00 0.66 C ATOM 841 CD2 LEU A 828 2.748 -9.500 4.522 1.00 0.81 C ATOM 0 H LEU A 828 2.435 -7.561 8.943 1.00 0.26 H new ATOM 0 HA LEU A 828 1.984 -10.405 8.591 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.220 -8.648 6.978 1.00 0.31 H new ATOM 0 HB3 LEU A 828 2.894 -8.239 6.659 1.00 0.31 H new ATOM 0 HG LEU A 828 2.989 -10.887 6.122 1.00 0.45 H new ATOM 0 HD11 LEU A 828 0.968 -11.516 4.864 1.00 0.66 H new ATOM 0 HD12 LEU A 828 0.615 -11.243 6.586 1.00 0.66 H new ATOM 0 HD13 LEU A 828 0.181 -10.006 5.383 1.00 0.66 H new ATOM 0 HD21 LEU A 828 2.776 -10.267 3.748 1.00 0.81 H new ATOM 0 HD22 LEU A 828 2.060 -8.709 4.224 1.00 0.81 H new ATOM 0 HD23 LEU A 828 3.746 -9.082 4.655 1.00 0.81 H new ATOM 853 N GLY A 829 4.280 -11.309 8.559 1.00 0.58 N ATOM 854 CA GLY A 829 5.627 -11.851 8.589 1.00 0.81 C ATOM 855 C GLY A 829 6.303 -11.809 7.232 1.00 0.49 C ATOM 856 O GLY A 829 7.174 -10.972 6.991 1.00 0.45 O ATOM 0 H GLY A 829 3.540 -11.992 8.722 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.225 -11.289 9.306 1.00 0.81 H new ATOM 0 HA3 GLY A 829 5.592 -12.882 8.942 1.00 0.81 H new ATOM 860 N SER A 830 5.904 -12.715 6.344 1.00 0.35 N ATOM 861 CA SER A 830 6.474 -12.780 5.004 1.00 0.23 C ATOM 862 C SER A 830 5.560 -13.572 4.072 1.00 0.19 C ATOM 863 O SER A 830 4.337 -13.469 4.163 1.00 0.20 O ATOM 864 CB SER A 830 7.867 -13.419 5.053 1.00 0.45 C ATOM 865 OG SER A 830 8.792 -12.687 4.268 1.00 1.31 O ATOM 0 H SER A 830 5.186 -13.416 6.530 1.00 0.35 H new ATOM 0 HA SER A 830 6.566 -11.766 4.616 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.215 -13.462 6.085 1.00 0.45 H new ATOM 0 HB3 SER A 830 7.812 -14.446 4.693 1.00 0.45 H new ATOM 0 HG SER A 830 8.308 -12.159 3.600 1.00 1.31 H new ATOM 871 N ASP A 831 6.154 -14.363 3.180 1.00 0.18 N ATOM 872 CA ASP A 831 5.382 -15.169 2.241 1.00 0.18 C ATOM 873 C ASP A 831 4.461 -16.134 2.983 1.00 0.17 C ATOM 874 O ASP A 831 3.521 -16.678 2.403 1.00 0.22 O ATOM 875 CB ASP A 831 6.317 -15.948 1.314 1.00 0.23 C ATOM 876 CG ASP A 831 7.089 -17.029 2.045 1.00 1.33 C ATOM 877 OD1 ASP A 831 7.928 -16.682 2.903 1.00 2.20 O ATOM 878 OD2 ASP A 831 6.853 -18.222 1.760 1.00 1.77 O ATOM 0 H ASP A 831 7.165 -14.462 3.089 1.00 0.18 H new ATOM 0 HA ASP A 831 4.768 -14.496 1.642 1.00 0.18 H new ATOM 0 HB2 ASP A 831 5.734 -16.401 0.512 1.00 0.23 H new ATOM 0 HB3 ASP A 831 7.019 -15.257 0.847 1.00 0.23 H new ATOM 883 N GLU A 832 4.735 -16.337 4.269 1.00 0.18 N ATOM 884 CA GLU A 832 3.926 -17.230 5.088 1.00 0.21 C ATOM 885 C GLU A 832 2.596 -16.577 5.440 1.00 0.19 C ATOM 886 O GLU A 832 1.539 -17.023 4.994 1.00 0.19 O ATOM 887 CB GLU A 832 4.678 -17.613 6.363 1.00 0.26 C ATOM 888 CG GLU A 832 5.909 -18.469 6.110 1.00 0.92 C ATOM 889 CD GLU A 832 6.843 -18.514 7.305 1.00 1.41 C ATOM 890 OE1 GLU A 832 6.493 -19.172 8.306 1.00 1.63 O ATOM 891 OE2 GLU A 832 7.923 -17.892 7.237 1.00 2.21 O ATOM 0 H GLU A 832 5.510 -15.895 4.764 1.00 0.18 H new ATOM 0 HA GLU A 832 3.727 -18.135 4.513 1.00 0.21 H new ATOM 0 HB2 GLU A 832 4.979 -16.704 6.884 1.00 0.26 H new ATOM 0 HB3 GLU A 832 4.001 -18.152 7.026 1.00 0.26 H new ATOM 0 HG2 GLU A 832 5.597 -19.483 5.859 1.00 0.92 H new ATOM 0 HG3 GLU A 832 6.448 -18.078 5.247 1.00 0.92 H new ATOM 898 N ASP A 833 2.655 -15.510 6.233 1.00 0.19 N ATOM 899 CA ASP A 833 1.449 -14.792 6.629 1.00 0.19 C ATOM 900 C ASP A 833 0.748 -14.225 5.405 1.00 0.18 C ATOM 901 O ASP A 833 -0.420 -13.846 5.466 1.00 0.18 O ATOM 902 CB ASP A 833 1.790 -13.669 7.607 1.00 0.22 C ATOM 903 CG ASP A 833 2.176 -14.193 8.977 1.00 0.41 C ATOM 904 OD1 ASP A 833 1.264 -14.516 9.768 1.00 0.73 O ATOM 905 OD2 ASP A 833 3.389 -14.283 9.260 1.00 0.73 O ATOM 0 H ASP A 833 3.521 -15.126 6.612 1.00 0.19 H new ATOM 0 HA ASP A 833 0.778 -15.493 7.126 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.611 -13.076 7.203 1.00 0.22 H new ATOM 0 HB3 ASP A 833 0.933 -13.003 7.704 1.00 0.22 H new ATOM 910 N TRP A 834 1.465 -14.191 4.287 1.00 0.17 N ATOM 911 CA TRP A 834 0.900 -13.693 3.042 1.00 0.17 C ATOM 912 C TRP A 834 0.094 -14.796 2.370 1.00 0.17 C ATOM 913 O TRP A 834 -0.981 -14.553 1.824 1.00 0.19 O ATOM 914 CB TRP A 834 2.004 -13.184 2.112 1.00 0.19 C ATOM 915 CG TRP A 834 1.502 -12.659 0.796 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.137 -12.755 -0.407 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.275 -11.955 0.546 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.389 -12.152 -1.389 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.239 -11.660 -0.832 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.796 -11.547 1.349 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.825 -10.979 -1.418 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.849 -10.871 0.764 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.859 -10.594 -0.608 1.00 0.26 C ATOM 0 H TRP A 834 2.434 -14.501 4.219 1.00 0.17 H new ATOM 0 HA TRP A 834 0.238 -12.855 3.263 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.557 -12.393 2.620 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.708 -13.994 1.923 1.00 0.19 H new ATOM 0 HD1 TRP A 834 3.091 -13.236 -0.565 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.648 -12.082 -2.373 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.799 -11.757 2.408 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.834 -10.762 -2.476 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.679 -10.551 1.376 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.699 -10.066 -1.036 1.00 0.26 H new ATOM 934 N ASN A 835 0.614 -16.018 2.438 1.00 0.18 N ATOM 935 CA ASN A 835 -0.066 -17.171 1.860 1.00 0.20 C ATOM 936 C ASN A 835 -1.317 -17.489 2.668 1.00 0.20 C ATOM 937 O ASN A 835 -2.357 -17.850 2.117 1.00 0.23 O ATOM 938 CB ASN A 835 0.873 -18.381 1.825 1.00 0.23 C ATOM 939 CG ASN A 835 0.412 -19.513 2.727 1.00 1.38 C ATOM 940 OD1 ASN A 835 -0.447 -20.311 2.351 1.00 1.90 O ATOM 941 ND2 ASN A 835 0.984 -19.588 3.924 1.00 1.98 N ATOM 0 H ASN A 835 1.504 -16.235 2.888 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.358 -16.936 0.836 1.00 0.20 H new ATOM 0 HB2 ASN A 835 0.948 -18.747 0.801 1.00 0.23 H new ATOM 0 HB3 ASN A 835 1.873 -18.068 2.126 1.00 0.23 H new ATOM 0 HD21 ASN A 835 0.715 -20.328 4.572 1.00 1.98 H new ATOM 0 HD22 ASN A 835 1.692 -18.905 4.195 1.00 1.98 H new ATOM 948 N VAL A 836 -1.206 -17.330 3.984 1.00 0.20 N ATOM 949 CA VAL A 836 -2.322 -17.576 4.887 1.00 0.22 C ATOM 950 C VAL A 836 -3.379 -16.502 4.698 1.00 0.22 C ATOM 951 O VAL A 836 -4.545 -16.799 4.432 1.00 0.27 O ATOM 952 CB VAL A 836 -1.871 -17.590 6.361 1.00 0.24 C ATOM 953 CG1 VAL A 836 -3.012 -18.016 7.271 1.00 0.67 C ATOM 954 CG2 VAL A 836 -0.667 -18.502 6.541 1.00 0.62 C ATOM 0 H VAL A 836 -0.349 -17.030 4.449 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.732 -18.557 4.647 1.00 0.22 H new ATOM 0 HB VAL A 836 -1.579 -16.578 6.639 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -2.670 -18.019 8.306 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -3.842 -17.318 7.165 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.343 -19.018 6.996 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -0.362 -18.500 7.587 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -0.931 -19.516 6.242 1.00 0.62 H new ATOM 0 HG23 VAL A 836 0.156 -18.144 5.923 1.00 0.62 H new ATOM 964 N ALA A 837 -2.958 -15.244 4.823 1.00 0.20 N ATOM 965 CA ALA A 837 -3.867 -14.118 4.646 1.00 0.20 C ATOM 966 C ALA A 837 -4.538 -14.189 3.279 1.00 0.20 C ATOM 967 O ALA A 837 -5.633 -13.659 3.082 1.00 0.21 O ATOM 968 CB ALA A 837 -3.121 -12.800 4.802 1.00 0.22 C ATOM 0 H ALA A 837 -1.998 -14.982 5.045 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.637 -14.171 5.416 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -3.815 -11.971 4.667 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.681 -12.746 5.798 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.331 -12.738 4.053 1.00 0.22 H new ATOM 974 N LYS A 838 -3.874 -14.861 2.341 1.00 0.21 N ATOM 975 CA LYS A 838 -4.405 -15.020 0.992 1.00 0.24 C ATOM 976 C LYS A 838 -5.581 -15.990 0.997 1.00 0.24 C ATOM 977 O LYS A 838 -6.621 -15.726 0.393 1.00 0.26 O ATOM 978 CB LYS A 838 -3.314 -15.528 0.045 1.00 0.28 C ATOM 979 CG LYS A 838 -2.588 -14.420 -0.703 1.00 0.38 C ATOM 980 CD LYS A 838 -1.774 -14.970 -1.862 1.00 0.49 C ATOM 981 CE LYS A 838 -0.599 -15.805 -1.375 1.00 0.68 C ATOM 982 NZ LYS A 838 0.040 -16.567 -2.485 1.00 0.85 N ATOM 0 H LYS A 838 -2.967 -15.304 2.492 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.750 -14.048 0.641 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.587 -16.104 0.618 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -3.762 -16.210 -0.678 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -3.313 -13.697 -1.077 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -1.931 -13.886 -0.016 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -2.414 -15.579 -2.500 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -1.407 -14.145 -2.473 1.00 0.49 H new ATOM 0 HE2 LYS A 838 0.141 -15.154 -0.909 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -0.941 -16.500 -0.608 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 0.590 -17.357 -2.092 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -0.696 -16.939 -3.119 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 0.672 -15.937 -3.019 1.00 0.85 H new ATOM 996 N GLU A 839 -5.406 -17.109 1.693 1.00 0.26 N ATOM 997 CA GLU A 839 -6.451 -18.121 1.794 1.00 0.29 C ATOM 998 C GLU A 839 -7.654 -17.567 2.547 1.00 0.27 C ATOM 999 O GLU A 839 -8.756 -18.111 2.475 1.00 0.31 O ATOM 1000 CB GLU A 839 -5.911 -19.366 2.505 1.00 0.34 C ATOM 1001 CG GLU A 839 -6.866 -20.547 2.482 1.00 0.71 C ATOM 1002 CD GLU A 839 -6.284 -21.778 3.149 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -6.107 -21.756 4.385 1.00 1.82 O ATOM 1004 OE2 GLU A 839 -6.008 -22.764 2.436 1.00 1.95 O ATOM 0 H GLU A 839 -4.549 -17.338 2.196 1.00 0.26 H new ATOM 0 HA GLU A 839 -6.767 -18.398 0.788 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -4.971 -19.661 2.038 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -5.686 -19.113 3.541 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -7.793 -20.270 2.984 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -7.121 -20.784 1.449 1.00 0.71 H new ATOM 1011 N MET A 840 -7.428 -16.474 3.270 1.00 0.25 N ATOM 1012 CA MET A 840 -8.481 -15.827 4.041 1.00 0.24 C ATOM 1013 C MET A 840 -9.297 -14.893 3.149 1.00 0.24 C ATOM 1014 O MET A 840 -10.504 -14.736 3.337 1.00 0.27 O ATOM 1015 CB MET A 840 -7.864 -15.053 5.212 1.00 0.24 C ATOM 1016 CG MET A 840 -8.695 -13.872 5.689 1.00 0.26 C ATOM 1017 SD MET A 840 -7.741 -12.720 6.697 1.00 0.30 S ATOM 1018 CE MET A 840 -7.179 -11.562 5.451 1.00 0.27 C ATOM 0 H MET A 840 -6.519 -16.017 3.337 1.00 0.25 H new ATOM 0 HA MET A 840 -9.152 -16.589 4.437 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.715 -15.738 6.047 1.00 0.24 H new ATOM 0 HB3 MET A 840 -6.879 -14.693 4.915 1.00 0.24 H new ATOM 0 HG2 MET A 840 -9.101 -13.345 4.826 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.544 -14.238 6.266 1.00 0.26 H new ATOM 0 HE1 MET A 840 -6.218 -11.144 5.750 1.00 0.27 H new ATOM 0 HE2 MET A 840 -7.069 -12.079 4.497 1.00 0.27 H new ATOM 0 HE3 MET A 840 -7.908 -10.758 5.346 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.629 -14.280 2.178 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.287 -13.365 1.254 1.00 0.24 C ATOM 1030 C LEU A 841 -10.241 -14.117 0.330 1.00 0.24 C ATOM 1031 O LEU A 841 -11.377 -13.694 0.119 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.247 -12.608 0.425 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.622 -11.394 1.116 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.358 -10.962 0.391 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.619 -10.246 1.184 1.00 0.38 C ATOM 0 H LEU A 841 -7.630 -14.401 2.011 1.00 0.22 H new ATOM 0 HA LEU A 841 -9.865 -12.650 1.840 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.451 -13.300 0.151 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -8.715 -12.277 -0.502 1.00 0.26 H new ATOM 0 HG LEU A 841 -7.355 -11.677 2.134 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -5.927 -10.098 0.896 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.639 -11.781 0.395 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.601 -10.697 -0.638 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -8.157 -9.392 1.679 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -8.918 -9.963 0.175 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.498 -10.560 1.748 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.771 -15.234 -0.216 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.581 -16.044 -1.119 1.00 0.35 C ATOM 1049 C ALA A 842 -11.787 -16.639 -0.402 1.00 0.36 C ATOM 1050 O ALA A 842 -12.822 -16.893 -1.017 1.00 0.49 O ATOM 1051 CB ALA A 842 -9.744 -17.150 -1.729 1.00 0.49 C ATOM 0 H ALA A 842 -8.833 -15.599 -0.049 1.00 0.30 H new ATOM 0 HA ALA A 842 -10.946 -15.392 -1.912 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -10.362 -17.746 -2.400 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -8.917 -16.714 -2.289 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -9.350 -17.787 -0.937 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.647 -16.856 0.903 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.732 -17.420 1.698 1.00 0.42 C ATOM 1059 C GLU A 843 -13.861 -16.409 1.865 1.00 0.53 C ATOM 1060 O GLU A 843 -14.803 -16.635 2.622 1.00 0.69 O ATOM 1061 CB GLU A 843 -12.215 -17.856 3.070 1.00 0.45 C ATOM 1062 CG GLU A 843 -12.690 -19.240 3.484 1.00 0.57 C ATOM 1063 CD GLU A 843 -11.554 -20.239 3.591 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -10.503 -19.884 4.165 1.00 1.36 O ATOM 1065 OE2 GLU A 843 -11.715 -21.374 3.097 1.00 1.68 O ATOM 0 H GLU A 843 -10.798 -16.651 1.429 1.00 0.34 H new ATOM 0 HA GLU A 843 -13.121 -18.292 1.172 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -11.125 -17.842 3.060 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -12.536 -17.131 3.818 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -13.201 -19.172 4.444 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -13.420 -19.601 2.759 1.00 0.57 H new ATOM 1072 N ASN A 844 -13.758 -15.296 1.146 1.00 0.54 N ATOM 1073 CA ASN A 844 -14.769 -14.246 1.207 1.00 0.77 C ATOM 1074 C ASN A 844 -14.918 -13.559 -0.145 1.00 0.81 C ATOM 1075 O ASN A 844 -15.482 -12.467 -0.238 1.00 1.48 O ATOM 1076 CB ASN A 844 -14.405 -13.220 2.280 1.00 0.89 C ATOM 1077 CG ASN A 844 -14.947 -13.595 3.645 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -16.044 -13.185 4.024 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -14.179 -14.381 4.389 1.00 1.05 N ATOM 0 H ASN A 844 -12.983 -15.098 0.513 1.00 0.54 H new ATOM 0 HA ASN A 844 -15.722 -14.706 1.467 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -13.321 -13.126 2.336 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -14.795 -12.244 1.993 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -14.491 -14.669 5.316 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -13.277 -14.697 4.034 1.00 1.05 H new ATOM 1086 N ASN A 845 -14.408 -14.207 -1.189 1.00 0.49 N ATOM 1087 CA ASN A 845 -14.479 -13.669 -2.545 1.00 0.56 C ATOM 1088 C ASN A 845 -13.773 -12.320 -2.639 1.00 0.48 C ATOM 1089 O ASN A 845 -14.012 -11.548 -3.570 1.00 0.57 O ATOM 1090 CB ASN A 845 -15.937 -13.528 -2.990 1.00 0.73 C ATOM 1091 CG ASN A 845 -16.382 -14.670 -3.882 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -15.714 -15.007 -4.860 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -17.516 -15.274 -3.548 1.00 1.97 N ATOM 0 H ASN A 845 -13.939 -15.110 -1.121 1.00 0.49 H new ATOM 0 HA ASN A 845 -13.971 -14.369 -3.208 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -16.580 -13.486 -2.111 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -16.062 -12.585 -3.522 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -17.865 -16.050 -4.110 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -18.038 -14.962 -2.729 1.00 1.97 H new ATOM 1100 N GLU A 846 -12.899 -12.042 -1.678 1.00 0.35 N ATOM 1101 CA GLU A 846 -12.157 -10.787 -1.664 1.00 0.31 C ATOM 1102 C GLU A 846 -10.926 -10.880 -2.559 1.00 0.30 C ATOM 1103 O GLU A 846 -10.583 -11.959 -3.043 1.00 0.49 O ATOM 1104 CB GLU A 846 -11.743 -10.429 -0.236 1.00 0.33 C ATOM 1105 CG GLU A 846 -12.735 -9.522 0.474 1.00 0.44 C ATOM 1106 CD GLU A 846 -12.828 -9.809 1.960 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -11.781 -9.770 2.639 1.00 2.30 O ATOM 1108 OE2 GLU A 846 -13.949 -10.074 2.444 1.00 1.69 O ATOM 0 H GLU A 846 -12.687 -12.667 -0.900 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.807 -10.001 -2.049 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -11.625 -11.347 0.340 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -10.769 -9.940 -0.260 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -12.442 -8.483 0.326 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -13.720 -9.643 0.022 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.269 -9.746 -2.781 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.079 -9.712 -3.626 1.00 0.31 C ATOM 1117 C LYS A 847 -8.142 -8.580 -3.217 1.00 0.36 C ATOM 1118 O LYS A 847 -6.924 -8.689 -3.369 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.479 -9.550 -5.096 1.00 0.38 C ATOM 1120 CG LYS A 847 -10.719 -8.695 -5.300 1.00 0.69 C ATOM 1121 CD LYS A 847 -11.372 -8.973 -6.644 1.00 0.97 C ATOM 1122 CE LYS A 847 -12.859 -9.249 -6.493 1.00 1.32 C ATOM 1123 NZ LYS A 847 -13.178 -10.691 -6.680 1.00 1.98 N ATOM 0 H LYS A 847 -10.538 -8.843 -2.390 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.550 -10.656 -3.497 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -8.648 -9.105 -5.643 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -9.653 -10.536 -5.527 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -11.433 -8.891 -4.500 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -10.450 -7.641 -5.236 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -11.224 -8.119 -7.305 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -10.888 -9.828 -7.115 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -13.189 -8.929 -5.504 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -13.414 -8.657 -7.221 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -14.202 -10.837 -6.569 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -12.887 -10.990 -7.632 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -12.669 -11.254 -5.969 1.00 1.98 H new ATOM 1137 N PHE A 848 -8.712 -7.494 -2.703 1.00 0.32 N ATOM 1138 CA PHE A 848 -7.917 -6.345 -2.278 1.00 0.37 C ATOM 1139 C PHE A 848 -7.352 -6.558 -0.878 1.00 0.30 C ATOM 1140 O PHE A 848 -8.009 -7.135 -0.012 1.00 0.39 O ATOM 1141 CB PHE A 848 -8.763 -5.068 -2.311 1.00 0.50 C ATOM 1142 CG PHE A 848 -9.758 -5.029 -3.437 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -9.339 -5.121 -4.756 1.00 0.92 C ATOM 1144 CD2 PHE A 848 -11.112 -4.895 -3.176 1.00 0.82 C ATOM 1145 CE1 PHE A 848 -10.252 -5.081 -5.791 1.00 1.09 C ATOM 1146 CE2 PHE A 848 -12.030 -4.856 -4.207 1.00 1.02 C ATOM 1147 CZ PHE A 848 -11.600 -4.949 -5.517 1.00 0.98 C ATOM 0 H PHE A 848 -9.717 -7.385 -2.571 1.00 0.32 H new ATOM 0 HA PHE A 848 -7.084 -6.238 -2.973 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -9.295 -4.971 -1.365 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -8.101 -4.206 -2.394 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -8.287 -5.225 -4.976 1.00 0.92 H new ATOM 0 HD2 PHE A 848 -11.454 -4.820 -2.154 1.00 0.82 H new ATOM 0 HE1 PHE A 848 -9.913 -5.153 -6.814 1.00 1.09 H new ATOM 0 HE2 PHE A 848 -13.083 -4.753 -3.990 1.00 1.02 H new ATOM 0 HZ PHE A 848 -12.316 -4.919 -6.325 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.127 -6.084 -0.664 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.468 -6.220 0.632 1.00 0.23 C ATOM 1159 C LEU A 849 -5.081 -4.852 1.188 1.00 0.24 C ATOM 1160 O LEU A 849 -4.336 -4.102 0.556 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.228 -7.111 0.501 1.00 0.26 C ATOM 1162 CG LEU A 849 -3.863 -7.944 1.739 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -2.963 -7.149 2.669 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -5.111 -8.414 2.476 1.00 0.74 C ATOM 0 H LEU A 849 -5.571 -5.603 -1.371 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.166 -6.686 1.327 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.380 -7.791 -0.338 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.376 -6.479 0.249 1.00 0.26 H new ATOM 0 HG LEU A 849 -3.322 -8.827 1.401 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -2.715 -7.755 3.541 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -2.048 -6.876 2.144 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -3.480 -6.245 2.991 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -4.820 -9.001 3.347 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -5.691 -7.549 2.798 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.717 -9.029 1.810 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.599 -4.536 2.373 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.323 -3.257 3.022 1.00 0.29 C ATOM 1178 C ASN A 850 -3.920 -3.229 3.618 1.00 0.30 C ATOM 1179 O ASN A 850 -3.303 -4.273 3.830 1.00 0.43 O ATOM 1180 CB ASN A 850 -6.357 -2.992 4.115 1.00 0.37 C ATOM 1181 CG ASN A 850 -7.420 -2.004 3.681 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -7.223 -1.234 2.740 1.00 1.52 O ATOM 1183 ND2 ASN A 850 -8.555 -2.017 4.368 1.00 0.92 N ATOM 0 H ASN A 850 -6.215 -5.151 2.905 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.385 -2.475 2.265 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -6.832 -3.932 4.396 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -5.853 -2.611 5.003 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -9.307 -1.372 4.123 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -8.676 -2.672 5.141 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.421 -2.023 3.892 1.00 0.31 N ATOM 1191 CA ILE A 851 -2.092 -1.857 4.471 1.00 0.36 C ATOM 1192 C ILE A 851 -2.121 -0.869 5.635 1.00 0.53 C ATOM 1193 O ILE A 851 -3.094 -0.135 5.805 1.00 0.71 O ATOM 1194 CB ILE A 851 -1.073 -1.391 3.424 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.294 -2.157 2.134 1.00 0.54 C ATOM 1196 CG2 ILE A 851 0.348 -1.599 3.917 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -0.752 -1.466 0.904 1.00 1.04 C ATOM 0 H ILE A 851 -3.918 -1.149 3.722 1.00 0.31 H new ATOM 0 HA ILE A 851 -1.782 -2.834 4.841 1.00 0.36 H new ATOM 0 HB ILE A 851 -1.215 -0.325 3.247 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -0.827 -3.138 2.222 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -2.363 -2.324 2.002 1.00 0.54 H new ATOM 0 HG21 ILE A 851 1.051 -1.260 3.156 1.00 0.53 H new ATOM 0 HG22 ILE A 851 0.503 -1.028 4.833 1.00 0.53 H new ATOM 0 HG23 ILE A 851 0.512 -2.658 4.117 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -0.951 -2.079 0.025 1.00 1.04 H new ATOM 0 HD12 ILE A 851 -1.237 -0.497 0.788 1.00 1.04 H new ATOM 0 HD13 ILE A 851 0.323 -1.323 1.011 1.00 1.04 H new ATOM 1209 N ARG A 852 -1.056 -0.863 6.435 1.00 0.59 N ATOM 1210 CA ARG A 852 -0.958 0.027 7.593 1.00 0.80 C ATOM 1211 C ARG A 852 -1.401 1.450 7.251 1.00 0.83 C ATOM 1212 O ARG A 852 -2.562 1.809 7.447 1.00 1.70 O ATOM 1213 CB ARG A 852 0.476 0.044 8.132 1.00 1.22 C ATOM 1214 CG ARG A 852 1.536 -0.160 7.060 1.00 2.24 C ATOM 1215 CD ARG A 852 2.883 0.395 7.494 1.00 3.05 C ATOM 1216 NE ARG A 852 2.940 1.850 7.376 1.00 3.71 N ATOM 1217 CZ ARG A 852 3.553 2.639 8.252 1.00 4.39 C ATOM 1218 NH1 ARG A 852 4.155 2.115 9.313 1.00 4.68 N ATOM 1219 NH2 ARG A 852 3.564 3.952 8.073 1.00 5.09 N ATOM 0 H ARG A 852 -0.245 -1.467 6.302 1.00 0.59 H new ATOM 0 HA ARG A 852 -1.629 -0.359 8.360 1.00 0.80 H new ATOM 0 HB2 ARG A 852 0.656 0.996 8.631 1.00 1.22 H new ATOM 0 HB3 ARG A 852 0.580 -0.736 8.886 1.00 1.22 H new ATOM 0 HG2 ARG A 852 1.633 -1.223 6.841 1.00 2.24 H new ATOM 0 HG3 ARG A 852 1.221 0.328 6.138 1.00 2.24 H new ATOM 0 HD2 ARG A 852 3.078 0.107 8.527 1.00 3.05 H new ATOM 0 HD3 ARG A 852 3.671 -0.049 6.886 1.00 3.05 H new ATOM 0 HE ARG A 852 2.483 2.285 6.575 1.00 3.71 H new ATOM 0 HH11 ARG A 852 4.147 1.105 9.457 1.00 4.68 H new ATOM 0 HH12 ARG A 852 4.625 2.722 9.984 1.00 4.68 H new ATOM 0 HH21 ARG A 852 3.101 4.360 7.261 1.00 5.09 H new ATOM 0 HH22 ARG A 852 4.035 4.555 8.747 1.00 5.09 H new ATOM 1233 N LEU A 853 -0.469 2.255 6.745 1.00 0.91 N ATOM 1234 CA LEU A 853 -0.760 3.638 6.383 1.00 1.58 C ATOM 1235 C LEU A 853 -1.382 4.393 7.557 1.00 2.01 C ATOM 1236 O LEU A 853 -2.122 5.358 7.364 1.00 2.60 O ATOM 1237 CB LEU A 853 -1.700 3.685 5.175 1.00 1.88 C ATOM 1238 CG LEU A 853 -1.114 4.338 3.924 1.00 1.74 C ATOM 1239 CD1 LEU A 853 -1.890 3.915 2.687 1.00 1.95 C ATOM 1240 CD2 LEU A 853 -1.115 5.853 4.062 1.00 2.38 C ATOM 0 H LEU A 853 0.496 1.971 6.577 1.00 0.91 H new ATOM 0 HA LEU A 853 0.181 4.123 6.122 1.00 1.58 H new ATOM 0 HB2 LEU A 853 -2.000 2.667 4.928 1.00 1.88 H new ATOM 0 HB3 LEU A 853 -2.604 4.224 5.458 1.00 1.88 H new ATOM 0 HG LEU A 853 -0.083 4.003 3.814 1.00 1.74 H new ATOM 0 HD11 LEU A 853 -1.458 4.390 1.806 1.00 1.95 H new ATOM 0 HD12 LEU A 853 -1.838 2.832 2.577 1.00 1.95 H new ATOM 0 HD13 LEU A 853 -2.932 4.219 2.789 1.00 1.95 H new ATOM 0 HD21 LEU A 853 -0.694 6.301 3.162 1.00 2.38 H new ATOM 0 HD22 LEU A 853 -2.137 6.205 4.199 1.00 2.38 H new ATOM 0 HD23 LEU A 853 -0.514 6.140 4.925 1.00 2.38 H new ATOM 1252 N TYR A 854 -1.076 3.947 8.772 1.00 1.85 N ATOM 1253 CA TYR A 854 -1.604 4.581 9.975 1.00 2.27 C ATOM 1254 C TYR A 854 -0.494 4.819 10.996 1.00 2.81 C ATOM 1255 O TYR A 854 -0.693 5.662 11.897 1.00 3.39 O ATOM 1256 CB TYR A 854 -2.714 3.722 10.589 1.00 2.12 C ATOM 1257 CG TYR A 854 -2.213 2.500 11.329 1.00 1.65 C ATOM 1258 CD1 TYR A 854 -1.887 1.335 10.642 1.00 1.32 C ATOM 1259 CD2 TYR A 854 -2.061 2.511 12.710 1.00 1.81 C ATOM 1260 CE1 TYR A 854 -1.427 0.217 11.312 1.00 1.08 C ATOM 1261 CE2 TYR A 854 -1.600 1.397 13.387 1.00 1.84 C ATOM 1262 CZ TYR A 854 -1.297 0.253 12.691 1.00 1.48 C ATOM 1263 OH TYR A 854 -0.825 -0.858 13.352 1.00 1.82 O ATOM 1264 OXT TYR A 854 0.560 4.159 10.889 1.00 3.18 O ATOM 0 H TYR A 854 -0.465 3.149 8.949 1.00 1.85 H new ATOM 0 HA TYR A 854 -2.023 5.547 9.693 1.00 2.27 H new ATOM 0 HB2 TYR A 854 -3.296 4.336 11.276 1.00 2.12 H new ATOM 0 HB3 TYR A 854 -3.391 3.402 9.797 1.00 2.12 H new ATOM 0 HD1 TYR A 854 -1.995 1.304 9.568 1.00 1.32 H new ATOM 0 HD2 TYR A 854 -2.307 3.405 13.264 1.00 1.81 H new ATOM 0 HE1 TYR A 854 -1.171 -0.678 10.765 1.00 1.08 H new ATOM 0 HE2 TYR A 854 -1.479 1.427 14.460 1.00 1.84 H new ATOM 0 HH TYR A 854 -0.790 -0.676 14.314 1.00 1.82 H new TER 1274 TYR A 854