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+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 854 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 819 GLN : amide:sc= 0.135 K(o=-1.7,f=-3.9) USER MOD Set 2.2: A 850 ASN :FLIP amide:sc= -1.88! C(o=-3.9!,f=-1.7!) USER MOD Set 3.1: A 799 ASN : amide:sc= -1.7! C(o=-2!,f=-5.7!) USER MOD Set 3.2: A 803 SER OG : rot -70:sc= -0.274 USER MOD Single : A 777 MET CE :methyl -151:sc= -0.277 (180deg=-1.02) USER MOD Single : A 779 SER OG : rot 180:sc= 0 USER MOD Single : A 782 THR OG1 : rot 180:sc= 0.0343 USER MOD Single : A 787 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0786) USER MOD Single : A 790 ASN :FLIP amide:sc= -0.0507 F(o=-0.81,f=-0.051) USER MOD Single : A 796 MET CE :methyl 172:sc= 0 (180deg=-0.106) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 804 ASN : amide:sc= -0.458 X(o=-0.46,f=-0.15) USER MOD Single : A 805 THR OG1 : rot 180:sc= 0 USER MOD Single : A 806 HIS : no HD1:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 807 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 808 ASN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 809 ASN : amide:sc=-0.00858 K(o=-0.0086,f=-0.94) 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 137:sc= 0.216 USER MOD Single : A 830 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= 0.0195 X(o=0.02,f=-0.27) USER MOD Single : A 838 LYS NZ :NH3+ -172:sc= 0.8 (180deg=0.75) USER MOD Single : A 840 MET CE :methyl -148:sc= 0 (180deg=-0.0163) USER MOD Single : A 844 ASN : amide:sc= -0.487 X(o=-0.49,f=-0.49) USER MOD Single : A 845 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 775 -12.523 11.877 -1.082 1.00 9.10 N ATOM 2 CA GLY A 775 -12.353 12.610 -2.367 1.00 8.80 C ATOM 3 C GLY A 775 -11.050 12.270 -3.063 1.00 8.11 C ATOM 4 O GLY A 775 -10.128 13.086 -3.099 1.00 8.12 O ATOM 0 HA2 GLY A 775 -13.187 12.374 -3.029 1.00 8.80 H new ATOM 0 HA3 GLY A 775 -12.390 13.683 -2.177 1.00 8.80 H new ATOM 10 N ALA A 776 -10.974 11.061 -3.615 1.00 7.81 N ATOM 11 CA ALA A 776 -9.775 10.607 -4.314 1.00 7.43 C ATOM 12 C ALA A 776 -8.548 10.683 -3.411 1.00 6.66 C ATOM 13 O ALA A 776 -7.426 10.860 -3.885 1.00 6.79 O ATOM 14 CB ALA A 776 -9.557 11.428 -5.577 1.00 8.12 C ATOM 0 H ALA A 776 -11.730 10.377 -3.591 1.00 7.81 H new ATOM 0 HA ALA A 776 -9.922 9.564 -4.593 1.00 7.43 H new ATOM 0 HB1 ALA A 776 -8.660 11.079 -6.088 1.00 8.12 H new ATOM 0 HB2 ALA A 776 -10.417 11.316 -6.237 1.00 8.12 H new ATOM 0 HB3 ALA A 776 -9.438 12.479 -5.312 1.00 8.12 H new ATOM 20 N MET A 777 -8.771 10.546 -2.108 1.00 6.18 N ATOM 21 CA MET A 777 -7.687 10.598 -1.136 1.00 5.71 C ATOM 22 C MET A 777 -8.059 9.840 0.135 1.00 5.06 C ATOM 23 O MET A 777 -8.875 10.308 0.930 1.00 5.55 O ATOM 24 CB MET A 777 -7.347 12.051 -0.799 1.00 6.17 C ATOM 25 CG MET A 777 -5.875 12.388 -0.976 1.00 6.70 C ATOM 26 SD MET A 777 -4.884 11.952 0.467 1.00 7.49 S ATOM 27 CE MET A 777 -5.573 13.056 1.698 1.00 8.34 C ATOM 0 H MET A 777 -9.695 10.398 -1.701 1.00 6.18 H new ATOM 0 HA MET A 777 -6.812 10.121 -1.577 1.00 5.71 H new ATOM 0 HB2 MET A 777 -7.941 12.711 -1.432 1.00 6.17 H new ATOM 0 HB3 MET A 777 -7.636 12.253 0.232 1.00 6.17 H new ATOM 0 HG2 MET A 777 -5.489 11.863 -1.849 1.00 6.70 H new ATOM 0 HG3 MET A 777 -5.772 13.455 -1.174 1.00 6.70 H new ATOM 0 HE1 MET A 777 -4.809 13.300 2.436 1.00 8.34 H new ATOM 0 HE2 MET A 777 -5.916 13.971 1.215 1.00 8.34 H new ATOM 0 HE3 MET A 777 -6.414 12.570 2.193 1.00 8.34 H new ATOM 37 N GLY A 778 -7.456 8.670 0.319 1.00 4.25 N ATOM 38 CA GLY A 778 -7.739 7.867 1.494 1.00 3.79 C ATOM 39 C GLY A 778 -6.514 7.658 2.364 1.00 2.65 C ATOM 40 O GLY A 778 -5.459 8.238 2.112 1.00 2.91 O ATOM 0 H GLY A 778 -6.777 8.264 -0.324 1.00 4.25 H new ATOM 0 HA2 GLY A 778 -8.519 8.351 2.081 1.00 3.79 H new ATOM 0 HA3 GLY A 778 -8.129 6.898 1.183 1.00 3.79 H new ATOM 44 N SER A 779 -6.657 6.825 3.390 1.00 1.98 N ATOM 45 CA SER A 779 -5.555 6.538 4.301 1.00 1.35 C ATOM 46 C SER A 779 -5.192 5.058 4.265 1.00 1.02 C ATOM 47 O SER A 779 -4.414 4.578 5.087 1.00 1.06 O ATOM 48 CB SER A 779 -5.924 6.950 5.728 1.00 2.12 C ATOM 49 OG SER A 779 -5.511 8.278 5.997 1.00 2.61 O ATOM 0 H SER A 779 -7.525 6.337 3.611 1.00 1.98 H new ATOM 0 HA SER A 779 -4.689 7.115 3.977 1.00 1.35 H new ATOM 0 HB2 SER A 779 -7.002 6.866 5.867 1.00 2.12 H new ATOM 0 HB3 SER A 779 -5.456 6.269 6.439 1.00 2.12 H new ATOM 0 HG SER A 779 -5.759 8.518 6.914 1.00 2.61 H new ATOM 55 N ILE A 780 -5.761 4.339 3.301 1.00 0.79 N ATOM 56 CA ILE A 780 -5.496 2.913 3.153 1.00 0.51 C ATOM 57 C ILE A 780 -4.904 2.611 1.781 1.00 0.46 C ATOM 58 O ILE A 780 -4.516 3.523 1.051 1.00 0.53 O ATOM 59 CB ILE A 780 -6.776 2.071 3.348 1.00 0.43 C ATOM 60 CG1 ILE A 780 -7.843 2.874 4.094 1.00 0.64 C ATOM 61 CG2 ILE A 780 -6.453 0.788 4.101 1.00 0.58 C ATOM 62 CD1 ILE A 780 -9.242 2.323 3.926 1.00 1.22 C ATOM 0 H ILE A 780 -6.408 4.721 2.611 1.00 0.79 H new ATOM 0 HA ILE A 780 -4.779 2.642 3.928 1.00 0.51 H new ATOM 0 HB ILE A 780 -7.170 1.810 2.366 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -7.595 2.895 5.155 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -7.823 3.905 3.741 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -7.364 0.204 4.232 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -5.727 0.206 3.533 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -6.037 1.034 5.078 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -9.946 2.942 4.482 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -9.510 2.328 2.870 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -9.279 1.302 4.305 1.00 1.22 H new ATOM 74 N PHE A 781 -4.841 1.330 1.433 1.00 0.39 N ATOM 75 CA PHE A 781 -4.303 0.909 0.155 1.00 0.36 C ATOM 76 C PHE A 781 -4.788 -0.495 -0.173 1.00 0.30 C ATOM 77 O PHE A 781 -4.244 -1.484 0.315 1.00 0.35 O ATOM 78 CB PHE A 781 -2.773 0.954 0.173 1.00 0.41 C ATOM 79 CG PHE A 781 -2.173 1.712 -0.978 1.00 0.45 C ATOM 80 CD1 PHE A 781 -2.623 2.984 -1.295 1.00 0.73 C ATOM 81 CD2 PHE A 781 -1.160 1.154 -1.743 1.00 0.81 C ATOM 82 CE1 PHE A 781 -2.075 3.684 -2.353 1.00 0.80 C ATOM 83 CE2 PHE A 781 -0.609 1.849 -2.802 1.00 0.94 C ATOM 84 CZ PHE A 781 -1.061 3.115 -3.105 1.00 0.73 C ATOM 0 H PHE A 781 -5.160 0.564 2.027 1.00 0.39 H new ATOM 0 HA PHE A 781 -4.655 1.595 -0.616 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -2.444 1.410 1.107 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -2.389 -0.066 0.163 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -3.411 3.433 -0.709 1.00 0.73 H new ATOM 0 HD2 PHE A 781 -0.797 0.164 -1.508 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -2.437 4.673 -2.593 1.00 0.80 H new ATOM 0 HE2 PHE A 781 0.176 1.400 -3.392 1.00 0.94 H new ATOM 0 HZ PHE A 781 -0.625 3.663 -3.928 1.00 0.73 H new ATOM 94 N THR A 782 -5.823 -0.570 -0.991 1.00 0.28 N ATOM 95 CA THR A 782 -6.398 -1.850 -1.380 1.00 0.29 C ATOM 96 C THR A 782 -5.844 -2.302 -2.725 1.00 0.35 C ATOM 97 O THR A 782 -6.423 -2.030 -3.777 1.00 0.52 O ATOM 98 CB THR A 782 -7.933 -1.774 -1.466 1.00 0.41 C ATOM 99 OG1 THR A 782 -8.362 -0.409 -1.390 1.00 0.67 O ATOM 100 CG2 THR A 782 -8.581 -2.578 -0.348 1.00 0.44 C ATOM 0 H THR A 782 -6.285 0.242 -1.401 1.00 0.28 H new ATOM 0 HA THR A 782 -6.125 -2.573 -0.611 1.00 0.29 H new ATOM 0 HB THR A 782 -8.241 -2.199 -2.421 1.00 0.41 H new ATOM 0 HG1 THR A 782 -9.340 -0.370 -1.447 1.00 0.67 H new ATOM 0 HG21 THR A 782 -9.666 -2.508 -0.431 1.00 0.44 H new ATOM 0 HG22 THR A 782 -8.277 -3.622 -0.427 1.00 0.44 H new ATOM 0 HG23 THR A 782 -8.265 -2.181 0.616 1.00 0.44 H new ATOM 108 N LEU A 783 -4.709 -2.989 -2.668 1.00 0.40 N ATOM 109 CA LEU A 783 -4.044 -3.489 -3.864 1.00 0.56 C ATOM 110 C LEU A 783 -4.668 -4.801 -4.328 1.00 0.58 C ATOM 111 O LEU A 783 -4.632 -5.803 -3.613 1.00 0.99 O ATOM 112 CB LEU A 783 -2.552 -3.692 -3.575 1.00 0.67 C ATOM 113 CG LEU A 783 -1.591 -3.166 -4.640 1.00 0.94 C ATOM 114 CD1 LEU A 783 -1.634 -4.050 -5.873 1.00 1.57 C ATOM 115 CD2 LEU A 783 -1.920 -1.725 -4.994 1.00 1.53 C ATOM 0 H LEU A 783 -4.227 -3.214 -1.798 1.00 0.40 H new ATOM 0 HA LEU A 783 -4.165 -2.755 -4.661 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -2.315 -3.207 -2.628 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -2.369 -4.758 -3.442 1.00 0.67 H new ATOM 0 HG LEU A 783 -0.579 -3.191 -4.237 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -0.944 -3.663 -6.623 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -1.344 -5.065 -5.603 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -2.645 -4.058 -6.280 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -1.224 -1.369 -5.754 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -2.938 -1.668 -5.379 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -1.834 -1.103 -4.103 1.00 1.53 H new ATOM 127 N LEU A 784 -5.237 -4.791 -5.531 1.00 0.27 N ATOM 128 CA LEU A 784 -5.860 -5.984 -6.087 1.00 0.26 C ATOM 129 C LEU A 784 -4.822 -7.079 -6.283 1.00 0.23 C ATOM 130 O LEU A 784 -3.938 -6.972 -7.133 1.00 0.29 O ATOM 131 CB LEU A 784 -6.539 -5.666 -7.420 1.00 0.31 C ATOM 132 CG LEU A 784 -7.107 -6.878 -8.165 1.00 0.51 C ATOM 133 CD1 LEU A 784 -8.584 -6.678 -8.470 1.00 0.81 C ATOM 134 CD2 LEU A 784 -6.325 -7.127 -9.447 1.00 0.75 C ATOM 0 H LEU A 784 -5.278 -3.971 -6.136 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.617 -6.333 -5.384 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -7.348 -4.959 -7.238 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -5.818 -5.166 -8.067 1.00 0.31 H new ATOM 0 HG LEU A 784 -7.007 -7.753 -7.523 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -8.968 -7.550 -8.999 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -9.134 -6.549 -7.538 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -8.710 -5.792 -9.092 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -6.741 -7.991 -9.965 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -6.394 -6.250 -10.091 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -5.280 -7.318 -9.204 1.00 0.75 H new ATOM 146 N VAL A 785 -4.933 -8.124 -5.482 1.00 0.25 N ATOM 147 CA VAL A 785 -4.001 -9.242 -5.544 1.00 0.30 C ATOM 148 C VAL A 785 -4.642 -10.477 -6.171 1.00 0.34 C ATOM 149 O VAL A 785 -5.856 -10.669 -6.096 1.00 0.55 O ATOM 150 CB VAL A 785 -3.481 -9.609 -4.142 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.450 -10.722 -4.228 1.00 1.11 C ATOM 152 CG2 VAL A 785 -2.899 -8.385 -3.451 1.00 1.18 C ATOM 0 H VAL A 785 -5.663 -8.224 -4.776 1.00 0.25 H new ATOM 0 HA VAL A 785 -3.169 -8.919 -6.169 1.00 0.30 H new ATOM 0 HB VAL A 785 -4.320 -9.969 -3.547 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.095 -10.967 -3.227 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -2.904 -11.605 -4.678 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -1.610 -10.394 -4.841 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -2.537 -8.664 -2.462 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -2.072 -7.992 -4.043 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -3.671 -7.621 -3.353 1.00 1.18 H new ATOM 162 N GLU A 786 -3.808 -11.317 -6.779 1.00 0.38 N ATOM 163 CA GLU A 786 -4.273 -12.545 -7.412 1.00 0.42 C ATOM 164 C GLU A 786 -4.002 -13.745 -6.509 1.00 0.46 C ATOM 165 O GLU A 786 -3.329 -13.619 -5.484 1.00 0.48 O ATOM 166 CB GLU A 786 -3.580 -12.740 -8.763 1.00 0.43 C ATOM 167 CG GLU A 786 -4.514 -13.217 -9.862 1.00 0.56 C ATOM 168 CD GLU A 786 -5.166 -12.068 -10.605 1.00 0.75 C ATOM 169 OE1 GLU A 786 -6.224 -11.589 -10.147 1.00 1.40 O ATOM 170 OE2 GLU A 786 -4.618 -11.648 -11.646 1.00 1.02 O ATOM 0 H GLU A 786 -2.801 -11.167 -6.846 1.00 0.38 H new ATOM 0 HA GLU A 786 -5.348 -12.464 -7.574 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -3.125 -11.798 -9.068 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.771 -13.461 -8.646 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -3.956 -13.832 -10.568 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -5.287 -13.851 -9.428 1.00 0.56 H new ATOM 177 N LYS A 787 -4.522 -14.906 -6.891 1.00 0.51 N ATOM 178 CA LYS A 787 -4.326 -16.124 -6.109 1.00 0.57 C ATOM 179 C LYS A 787 -3.021 -16.810 -6.501 1.00 0.60 C ATOM 180 O LYS A 787 -3.004 -17.995 -6.837 1.00 1.07 O ATOM 181 CB LYS A 787 -5.506 -17.077 -6.307 1.00 0.64 C ATOM 182 CG LYS A 787 -6.863 -16.404 -6.177 1.00 1.29 C ATOM 183 CD LYS A 787 -7.705 -16.601 -7.428 1.00 1.49 C ATOM 184 CE LYS A 787 -8.567 -17.848 -7.326 1.00 2.24 C ATOM 185 NZ LYS A 787 -7.767 -19.092 -7.502 1.00 2.85 N ATOM 0 H LYS A 787 -5.081 -15.031 -7.735 1.00 0.51 H new ATOM 0 HA LYS A 787 -4.269 -15.851 -5.055 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -5.430 -17.535 -7.293 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -5.438 -17.882 -5.576 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -7.391 -16.811 -5.314 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -6.726 -15.338 -5.994 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -8.341 -15.729 -7.581 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -7.053 -16.678 -8.298 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -9.062 -17.869 -6.355 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -9.351 -17.810 -8.082 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -8.405 -19.912 -7.544 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -7.221 -19.032 -8.385 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -7.115 -19.202 -6.699 1.00 2.85 H new ATOM 199 N VAL A 788 -1.928 -16.051 -6.461 1.00 0.29 N ATOM 200 CA VAL A 788 -0.614 -16.574 -6.816 1.00 0.29 C ATOM 201 C VAL A 788 0.498 -15.648 -6.324 1.00 0.26 C ATOM 202 O VAL A 788 1.620 -16.087 -6.070 1.00 0.29 O ATOM 203 CB VAL A 788 -0.484 -16.750 -8.344 1.00 0.32 C ATOM 204 CG1 VAL A 788 -0.875 -15.468 -9.064 1.00 0.31 C ATOM 205 CG2 VAL A 788 0.929 -17.169 -8.724 1.00 0.33 C ATOM 0 H VAL A 788 -1.928 -15.069 -6.185 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.512 -17.545 -6.331 1.00 0.29 H new ATOM 0 HB VAL A 788 -1.166 -17.542 -8.654 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -0.777 -15.611 -10.140 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -1.908 -15.216 -8.824 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.220 -14.657 -8.745 1.00 0.31 H new ATOM 0 HG21 VAL A 788 0.995 -17.287 -9.806 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.635 -16.405 -8.398 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.170 -18.116 -8.241 1.00 0.33 H new ATOM 215 N TRP A 789 0.177 -14.362 -6.200 1.00 0.21 N ATOM 216 CA TRP A 789 1.147 -13.366 -5.753 1.00 0.18 C ATOM 217 C TRP A 789 1.806 -13.757 -4.440 1.00 0.18 C ATOM 218 O TRP A 789 1.130 -14.002 -3.440 1.00 0.19 O ATOM 219 CB TRP A 789 0.480 -12.001 -5.588 1.00 0.18 C ATOM 220 CG TRP A 789 0.190 -11.328 -6.892 1.00 0.20 C ATOM 221 CD1 TRP A 789 0.253 -11.891 -8.134 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.199 -9.964 -7.087 1.00 0.22 C ATOM 223 NE1 TRP A 789 -0.074 -10.964 -9.087 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.357 -9.772 -8.473 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.432 -8.889 -6.227 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -0.737 -8.548 -9.015 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.808 -7.674 -6.766 1.00 0.28 C ATOM 228 CH2 TRP A 789 -0.958 -7.510 -8.149 1.00 0.30 C ATOM 0 H TRP A 789 -0.749 -13.985 -6.403 1.00 0.21 H new ATOM 0 HA TRP A 789 1.918 -13.313 -6.522 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.451 -12.123 -5.034 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.125 -11.358 -4.990 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.522 -12.918 -8.335 1.00 0.22 H new ATOM 0 HE1 TRP A 789 -0.102 -11.133 -10.092 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.320 -9.005 -5.159 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -0.854 -8.421 -10.081 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -0.990 -6.836 -6.110 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -1.253 -6.547 -8.540 1.00 0.30 H new ATOM 239 N ASN A 790 3.131 -13.775 -4.442 1.00 0.18 N ATOM 240 CA ASN A 790 3.892 -14.090 -3.243 1.00 0.20 C ATOM 241 C ASN A 790 4.254 -12.790 -2.542 1.00 0.18 C ATOM 242 O ASN A 790 4.056 -11.712 -3.100 1.00 0.20 O ATOM 243 CB ASN A 790 5.157 -14.876 -3.595 1.00 0.24 C ATOM 244 CG ASN A 790 5.176 -15.326 -5.043 1.00 0.93 C ATOM 245 OD1 ASN A 790 5.577 -14.429 -5.935 1.00 1.89 O flip ATOM 246 ND2 ASN A 790 4.834 -16.467 -5.354 1.00 0.77 N flip ATOM 0 H ASN A 790 3.702 -13.575 -5.263 1.00 0.18 H new ATOM 0 HA ASN A 790 3.288 -14.712 -2.582 1.00 0.20 H new ATOM 0 HB2 ASN A 790 6.032 -14.257 -3.399 1.00 0.24 H new ATOM 0 HB3 ASN A 790 5.232 -15.748 -2.946 1.00 0.24 H new ATOM 0 HD21 ASN A 790 4.533 -17.123 -4.634 1.00 0.77 H new ATOM 0 HD22 ASN A 790 4.852 -16.756 -6.332 1.00 0.77 H new ATOM 253 N PHE A 791 4.775 -12.878 -1.325 1.00 0.20 N ATOM 254 CA PHE A 791 5.141 -11.678 -0.584 1.00 0.20 C ATOM 255 C PHE A 791 6.118 -10.837 -1.396 1.00 0.16 C ATOM 256 O PHE A 791 6.195 -9.620 -1.231 1.00 0.17 O ATOM 257 CB PHE A 791 5.751 -12.048 0.770 1.00 0.26 C ATOM 258 CG PHE A 791 6.244 -10.865 1.556 1.00 0.35 C ATOM 259 CD1 PHE A 791 5.366 -9.869 1.957 1.00 0.44 C ATOM 260 CD2 PHE A 791 7.583 -10.748 1.896 1.00 0.47 C ATOM 261 CE1 PHE A 791 5.814 -8.781 2.680 1.00 0.57 C ATOM 262 CE2 PHE A 791 8.037 -9.661 2.618 1.00 0.59 C ATOM 263 CZ PHE A 791 7.162 -8.679 3.009 1.00 0.63 C ATOM 0 H PHE A 791 4.952 -13.755 -0.835 1.00 0.20 H new ATOM 0 HA PHE A 791 4.240 -11.091 -0.405 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.005 -12.580 1.361 1.00 0.26 H new ATOM 0 HB3 PHE A 791 6.580 -12.737 0.609 1.00 0.26 H new ATOM 0 HD1 PHE A 791 4.320 -9.945 1.701 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.279 -11.516 1.593 1.00 0.47 H new ATOM 0 HE1 PHE A 791 5.121 -8.012 2.989 1.00 0.57 H new ATOM 0 HE2 PHE A 791 9.083 -9.584 2.875 1.00 0.59 H new ATOM 0 HZ PHE A 791 7.519 -7.829 3.571 1.00 0.63 H new ATOM 273 N ASP A 792 6.846 -11.495 -2.290 1.00 0.17 N ATOM 274 CA ASP A 792 7.798 -10.808 -3.147 1.00 0.17 C ATOM 275 C ASP A 792 7.057 -10.002 -4.204 1.00 0.16 C ATOM 276 O ASP A 792 7.188 -8.780 -4.264 1.00 0.19 O ATOM 277 CB ASP A 792 8.734 -11.810 -3.821 1.00 0.22 C ATOM 278 CG ASP A 792 9.947 -11.142 -4.440 1.00 1.17 C ATOM 279 OD1 ASP A 792 10.611 -10.350 -3.738 1.00 1.47 O ATOM 280 OD2 ASP A 792 10.231 -11.410 -5.626 1.00 2.05 O ATOM 0 H ASP A 792 6.794 -12.503 -2.439 1.00 0.17 H new ATOM 0 HA ASP A 792 8.394 -10.134 -2.532 1.00 0.17 H new ATOM 0 HB2 ASP A 792 9.063 -12.546 -3.087 1.00 0.22 H new ATOM 0 HB3 ASP A 792 8.187 -12.351 -4.593 1.00 0.22 H new ATOM 285 N ASP A 793 6.263 -10.691 -5.022 1.00 0.17 N ATOM 286 CA ASP A 793 5.487 -10.035 -6.066 1.00 0.18 C ATOM 287 C ASP A 793 4.598 -8.956 -5.459 1.00 0.17 C ATOM 288 O ASP A 793 4.337 -7.927 -6.084 1.00 0.24 O ATOM 289 CB ASP A 793 4.632 -11.056 -6.819 1.00 0.19 C ATOM 290 CG ASP A 793 5.273 -11.501 -8.119 1.00 0.56 C ATOM 291 OD1 ASP A 793 6.172 -12.367 -8.072 1.00 1.04 O ATOM 292 OD2 ASP A 793 4.874 -10.986 -9.184 1.00 1.07 O ATOM 0 H ASP A 793 6.142 -11.703 -4.980 1.00 0.17 H new ATOM 0 HA ASP A 793 6.177 -9.571 -6.771 1.00 0.18 H new ATOM 0 HB2 ASP A 793 4.465 -11.925 -6.183 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.654 -10.622 -7.029 1.00 0.19 H new ATOM 297 N LEU A 794 4.142 -9.199 -4.233 1.00 0.14 N ATOM 298 CA LEU A 794 3.289 -8.250 -3.531 1.00 0.15 C ATOM 299 C LEU A 794 4.036 -6.952 -3.257 1.00 0.15 C ATOM 300 O LEU A 794 3.562 -5.866 -3.594 1.00 0.17 O ATOM 301 CB LEU A 794 2.803 -8.842 -2.204 1.00 0.19 C ATOM 302 CG LEU A 794 1.662 -8.069 -1.546 1.00 0.26 C ATOM 303 CD1 LEU A 794 0.424 -8.081 -2.433 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.351 -8.642 -0.172 1.00 0.70 C ATOM 0 H LEU A 794 4.351 -10.047 -3.706 1.00 0.14 H new ATOM 0 HA LEU A 794 2.430 -8.040 -4.169 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.478 -9.868 -2.376 1.00 0.19 H new ATOM 0 HB3 LEU A 794 3.643 -8.885 -1.511 1.00 0.19 H new ATOM 0 HG LEU A 794 1.976 -7.033 -1.418 1.00 0.26 H new ATOM 0 HD11 LEU A 794 -0.378 -7.525 -1.947 1.00 0.93 H new ATOM 0 HD12 LEU A 794 0.658 -7.617 -3.391 1.00 0.93 H new ATOM 0 HD13 LEU A 794 0.104 -9.110 -2.597 1.00 0.93 H new ATOM 0 HD21 LEU A 794 0.536 -8.078 0.281 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.058 -9.687 -0.271 1.00 0.70 H new ATOM 0 HD23 LEU A 794 2.236 -8.572 0.460 1.00 0.70 H new ATOM 316 N ILE A 795 5.199 -7.077 -2.632 1.00 0.19 N ATOM 317 CA ILE A 795 6.018 -5.924 -2.293 1.00 0.22 C ATOM 318 C ILE A 795 6.349 -5.087 -3.523 1.00 0.21 C ATOM 319 O ILE A 795 6.504 -3.874 -3.423 1.00 0.23 O ATOM 320 CB ILE A 795 7.318 -6.360 -1.591 1.00 0.26 C ATOM 321 CG1 ILE A 795 7.020 -6.823 -0.162 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.347 -5.236 -1.587 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.371 -5.760 0.703 1.00 0.32 C ATOM 0 H ILE A 795 5.597 -7.972 -2.348 1.00 0.19 H new ATOM 0 HA ILE A 795 5.435 -5.307 -1.609 1.00 0.22 H new ATOM 0 HB ILE A 795 7.740 -7.195 -2.149 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.367 -7.695 -0.201 1.00 0.30 H new ATOM 0 HG13 ILE A 795 7.950 -7.142 0.308 1.00 0.30 H new ATOM 0 HG21 ILE A 795 9.253 -5.574 -1.085 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.584 -4.956 -2.613 1.00 0.28 H new ATOM 0 HG23 ILE A 795 7.941 -4.373 -1.060 1.00 0.28 H new ATOM 0 HD11 ILE A 795 6.191 -6.162 1.700 1.00 0.32 H new ATOM 0 HD12 ILE A 795 7.031 -4.896 0.774 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.424 -5.457 0.257 1.00 0.32 H new ATOM 335 N MET A 796 6.453 -5.729 -4.681 1.00 0.23 N ATOM 336 CA MET A 796 6.767 -5.016 -5.917 1.00 0.26 C ATOM 337 C MET A 796 5.608 -4.119 -6.339 1.00 0.23 C ATOM 338 O MET A 796 5.782 -2.913 -6.508 1.00 0.22 O ATOM 339 CB MET A 796 7.099 -5.999 -7.040 1.00 0.36 C ATOM 340 CG MET A 796 7.916 -7.192 -6.583 1.00 0.46 C ATOM 341 SD MET A 796 8.699 -8.066 -7.951 1.00 0.67 S ATOM 342 CE MET A 796 10.302 -8.437 -7.240 1.00 1.53 C ATOM 0 H MET A 796 6.326 -6.735 -4.792 1.00 0.23 H new ATOM 0 HA MET A 796 7.640 -4.391 -5.727 1.00 0.26 H new ATOM 0 HB2 MET A 796 6.170 -6.355 -7.486 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.647 -5.473 -7.822 1.00 0.36 H new ATOM 0 HG2 MET A 796 8.683 -6.856 -5.886 1.00 0.46 H new ATOM 0 HG3 MET A 796 7.271 -7.882 -6.039 1.00 0.46 H new ATOM 0 HE1 MET A 796 10.853 -9.098 -7.909 1.00 1.53 H new ATOM 0 HE2 MET A 796 10.862 -7.512 -7.102 1.00 1.53 H new ATOM 0 HE3 MET A 796 10.168 -8.927 -6.275 1.00 1.53 H new ATOM 352 N ALA A 797 4.426 -4.711 -6.503 1.00 0.26 N ATOM 353 CA ALA A 797 3.245 -3.952 -6.898 1.00 0.30 C ATOM 354 C ALA A 797 3.057 -2.757 -5.974 1.00 0.28 C ATOM 355 O ALA A 797 2.921 -1.617 -6.423 1.00 0.30 O ATOM 356 CB ALA A 797 2.011 -4.841 -6.881 1.00 0.38 C ATOM 0 H ALA A 797 4.263 -5.709 -6.369 1.00 0.26 H new ATOM 0 HA ALA A 797 3.388 -3.586 -7.915 1.00 0.30 H new ATOM 0 HB1 ALA A 797 1.139 -4.259 -7.178 1.00 0.38 H new ATOM 0 HB2 ALA A 797 2.149 -5.669 -7.577 1.00 0.38 H new ATOM 0 HB3 ALA A 797 1.859 -5.234 -5.876 1.00 0.38 H new ATOM 362 N ILE A 798 3.071 -3.031 -4.675 1.00 0.27 N ATOM 363 CA ILE A 798 2.922 -1.993 -3.672 1.00 0.31 C ATOM 364 C ILE A 798 4.017 -0.945 -3.812 1.00 0.29 C ATOM 365 O ILE A 798 3.740 0.250 -3.894 1.00 0.33 O ATOM 366 CB ILE A 798 2.978 -2.582 -2.255 1.00 0.35 C ATOM 367 CG1 ILE A 798 1.773 -3.491 -2.014 1.00 0.40 C ATOM 368 CG2 ILE A 798 3.040 -1.465 -1.222 1.00 0.42 C ATOM 369 CD1 ILE A 798 1.791 -4.189 -0.671 1.00 0.50 C ATOM 0 H ILE A 798 3.185 -3.970 -4.294 1.00 0.27 H new ATOM 0 HA ILE A 798 1.949 -1.528 -3.830 1.00 0.31 H new ATOM 0 HB ILE A 798 3.881 -3.184 -2.155 1.00 0.35 H new ATOM 0 HG12 ILE A 798 0.862 -2.898 -2.092 1.00 0.40 H new ATOM 0 HG13 ILE A 798 1.733 -4.242 -2.803 1.00 0.40 H new ATOM 0 HG21 ILE A 798 3.079 -1.896 -0.222 1.00 0.42 H new ATOM 0 HG22 ILE A 798 3.931 -0.861 -1.392 1.00 0.42 H new ATOM 0 HG23 ILE A 798 2.154 -0.837 -1.312 1.00 0.42 H new ATOM 0 HD11 ILE A 798 0.904 -4.815 -0.575 1.00 0.50 H new ATOM 0 HD12 ILE A 798 2.684 -4.810 -0.596 1.00 0.50 H new ATOM 0 HD13 ILE A 798 1.798 -3.445 0.126 1.00 0.50 H new ATOM 381 N ASN A 799 5.264 -1.409 -3.829 1.00 0.25 N ATOM 382 CA ASN A 799 6.417 -0.526 -3.947 1.00 0.29 C ATOM 383 C ASN A 799 6.263 0.443 -5.115 1.00 0.27 C ATOM 384 O ASN A 799 6.760 1.567 -5.067 1.00 0.36 O ATOM 385 CB ASN A 799 7.698 -1.338 -4.122 1.00 0.30 C ATOM 386 CG ASN A 799 8.877 -0.724 -3.395 1.00 0.38 C ATOM 387 OD1 ASN A 799 9.597 0.108 -3.946 1.00 0.81 O ATOM 388 ND2 ASN A 799 9.083 -1.133 -2.149 1.00 0.78 N ATOM 0 H ASN A 799 5.501 -2.399 -3.762 1.00 0.25 H new ATOM 0 HA ASN A 799 6.478 0.053 -3.026 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.536 -2.351 -3.754 1.00 0.30 H new ATOM 0 HB3 ASN A 799 7.931 -1.418 -5.184 1.00 0.30 H new ATOM 0 HD21 ASN A 799 9.863 -0.755 -1.611 1.00 0.78 H new ATOM 0 HD22 ASN A 799 8.462 -1.825 -1.730 1.00 0.78 H new ATOM 395 N SER A 800 5.581 0.001 -6.163 1.00 0.22 N ATOM 396 CA SER A 800 5.370 0.836 -7.338 1.00 0.25 C ATOM 397 C SER A 800 4.362 1.941 -7.043 1.00 0.28 C ATOM 398 O SER A 800 4.466 3.047 -7.574 1.00 0.33 O ATOM 399 CB SER A 800 4.887 -0.013 -8.514 1.00 0.28 C ATOM 400 OG SER A 800 5.659 0.238 -9.675 1.00 0.98 O ATOM 0 H SER A 800 5.165 -0.928 -6.224 1.00 0.22 H new ATOM 0 HA SER A 800 6.322 1.298 -7.602 1.00 0.25 H new ATOM 0 HB2 SER A 800 4.949 -1.070 -8.254 1.00 0.28 H new ATOM 0 HB3 SER A 800 3.838 0.204 -8.717 1.00 0.28 H new ATOM 0 HG SER A 800 5.331 -0.318 -10.412 1.00 0.98 H new ATOM 406 N LYS A 801 3.381 1.629 -6.202 1.00 0.30 N ATOM 407 CA LYS A 801 2.349 2.596 -5.846 1.00 0.37 C ATOM 408 C LYS A 801 2.636 3.272 -4.505 1.00 0.40 C ATOM 409 O LYS A 801 1.792 4.002 -3.982 1.00 0.49 O ATOM 410 CB LYS A 801 0.982 1.911 -5.801 1.00 0.42 C ATOM 411 CG LYS A 801 0.282 1.863 -7.149 1.00 0.67 C ATOM 412 CD LYS A 801 0.655 0.610 -7.926 1.00 1.05 C ATOM 413 CE LYS A 801 -0.159 0.488 -9.205 1.00 1.43 C ATOM 414 NZ LYS A 801 0.635 0.872 -10.406 1.00 2.25 N ATOM 0 H LYS A 801 3.279 0.717 -5.756 1.00 0.30 H new ATOM 0 HA LYS A 801 2.347 3.370 -6.613 1.00 0.37 H new ATOM 0 HB2 LYS A 801 1.106 0.894 -5.429 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.345 2.435 -5.089 1.00 0.42 H new ATOM 0 HG2 LYS A 801 -0.797 1.893 -7.001 1.00 0.67 H new ATOM 0 HG3 LYS A 801 0.548 2.746 -7.730 1.00 0.67 H new ATOM 0 HD2 LYS A 801 1.717 0.634 -8.170 1.00 1.05 H new ATOM 0 HD3 LYS A 801 0.490 -0.269 -7.303 1.00 1.05 H new ATOM 0 HE2 LYS A 801 -0.511 -0.538 -9.315 1.00 1.43 H new ATOM 0 HE3 LYS A 801 -1.042 1.123 -9.135 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 0.045 0.776 -11.257 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 0.950 1.859 -10.313 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 1.465 0.250 -10.487 1.00 2.25 H new ATOM 428 N ILE A 802 3.823 3.038 -3.947 1.00 0.39 N ATOM 429 CA ILE A 802 4.190 3.642 -2.668 1.00 0.45 C ATOM 430 C ILE A 802 5.548 4.336 -2.737 1.00 0.50 C ATOM 431 O ILE A 802 5.865 5.178 -1.897 1.00 0.60 O ATOM 432 CB ILE A 802 4.217 2.601 -1.531 1.00 0.47 C ATOM 433 CG1 ILE A 802 5.322 1.575 -1.766 1.00 0.42 C ATOM 434 CG2 ILE A 802 2.866 1.917 -1.405 1.00 0.49 C ATOM 435 CD1 ILE A 802 6.023 1.140 -0.498 1.00 0.75 C ATOM 0 H ILE A 802 4.541 2.440 -4.356 1.00 0.39 H new ATOM 0 HA ILE A 802 3.422 4.385 -2.454 1.00 0.45 H new ATOM 0 HB ILE A 802 4.428 3.119 -0.595 1.00 0.47 H new ATOM 0 HG12 ILE A 802 4.895 0.699 -2.254 1.00 0.42 H new ATOM 0 HG13 ILE A 802 6.057 1.996 -2.452 1.00 0.42 H new ATOM 0 HG21 ILE A 802 2.902 1.185 -0.598 1.00 0.49 H new ATOM 0 HG22 ILE A 802 2.100 2.661 -1.186 1.00 0.49 H new ATOM 0 HG23 ILE A 802 2.625 1.413 -2.341 1.00 0.49 H new ATOM 0 HD11 ILE A 802 6.796 0.411 -0.741 1.00 0.75 H new ATOM 0 HD12 ILE A 802 6.480 2.006 -0.019 1.00 0.75 H new ATOM 0 HD13 ILE A 802 5.300 0.689 0.181 1.00 0.75 H new ATOM 447 N SER A 803 6.347 3.980 -3.736 1.00 0.45 N ATOM 448 CA SER A 803 7.669 4.576 -3.901 1.00 0.53 C ATOM 449 C SER A 803 7.799 5.252 -5.262 1.00 0.61 C ATOM 450 O SER A 803 7.684 6.474 -5.368 1.00 1.19 O ATOM 451 CB SER A 803 8.757 3.512 -3.725 1.00 0.60 C ATOM 452 OG SER A 803 8.425 2.610 -2.685 1.00 1.53 O ATOM 0 H SER A 803 6.105 3.285 -4.442 1.00 0.45 H new ATOM 0 HA SER A 803 7.797 5.339 -3.133 1.00 0.53 H new ATOM 0 HB2 SER A 803 8.888 2.964 -4.658 1.00 0.60 H new ATOM 0 HB3 SER A 803 9.709 3.994 -3.502 1.00 0.60 H new ATOM 0 HG SER A 803 8.487 3.069 -1.821 1.00 1.53 H new ATOM 458 N ASN A 804 8.035 4.456 -6.302 1.00 0.84 N ATOM 459 CA ASN A 804 8.177 4.979 -7.658 1.00 0.93 C ATOM 460 C ASN A 804 9.220 6.095 -7.713 1.00 1.53 C ATOM 461 O ASN A 804 10.010 6.268 -6.783 1.00 2.42 O ATOM 462 CB ASN A 804 6.830 5.496 -8.170 1.00 1.40 C ATOM 463 CG ASN A 804 6.511 4.997 -9.565 1.00 2.04 C ATOM 464 OD1 ASN A 804 6.103 5.765 -10.433 1.00 2.43 O ATOM 465 ND2 ASN A 804 6.696 3.700 -9.784 1.00 2.83 N ATOM 0 H ASN A 804 8.132 3.443 -6.231 1.00 0.84 H new ATOM 0 HA ASN A 804 8.515 4.165 -8.299 1.00 0.93 H new ATOM 0 HB2 ASN A 804 6.041 5.184 -7.486 1.00 1.40 H new ATOM 0 HB3 ASN A 804 6.839 6.586 -8.170 1.00 1.40 H new ATOM 0 HD21 ASN A 804 6.497 3.305 -10.703 1.00 2.83 H new ATOM 0 HD22 ASN A 804 7.037 3.100 -9.033 1.00 2.83 H new ATOM 472 N THR A 805 9.214 6.851 -8.808 1.00 1.86 N ATOM 473 CA THR A 805 10.155 7.952 -8.982 1.00 2.72 C ATOM 474 C THR A 805 9.580 9.014 -9.914 1.00 3.19 C ATOM 475 O THR A 805 9.258 8.734 -11.068 1.00 3.83 O ATOM 476 CB THR A 805 11.505 7.459 -9.542 1.00 3.49 C ATOM 477 OG1 THR A 805 12.341 8.578 -9.859 1.00 3.73 O ATOM 478 CG2 THR A 805 11.303 6.604 -10.784 1.00 4.20 C ATOM 0 H THR A 805 8.568 6.721 -9.587 1.00 1.86 H new ATOM 0 HA THR A 805 10.324 8.388 -7.997 1.00 2.72 H new ATOM 0 HB THR A 805 11.986 6.848 -8.778 1.00 3.49 H new ATOM 0 HG1 THR A 805 13.197 8.257 -10.213 1.00 3.73 H new ATOM 0 HG21 THR A 805 12.271 6.270 -11.157 1.00 4.20 H new ATOM 0 HG22 THR A 805 10.692 5.737 -10.533 1.00 4.20 H new ATOM 0 HG23 THR A 805 10.801 7.192 -11.552 1.00 4.20 H new ATOM 486 N HIS A 806 9.444 10.234 -9.401 1.00 3.41 N ATOM 487 CA HIS A 806 8.897 11.336 -10.188 1.00 4.17 C ATOM 488 C HIS A 806 9.168 12.676 -9.512 1.00 4.02 C ATOM 489 O HIS A 806 9.755 13.576 -10.111 1.00 4.30 O ATOM 490 CB HIS A 806 7.392 11.144 -10.386 1.00 5.13 C ATOM 491 CG HIS A 806 6.831 11.921 -11.538 1.00 6.08 C ATOM 492 ND1 HIS A 806 5.656 12.638 -11.459 1.00 6.75 N ATOM 493 CD2 HIS A 806 7.286 12.088 -12.803 1.00 6.77 C ATOM 494 CE1 HIS A 806 5.413 13.212 -12.625 1.00 7.67 C ATOM 495 NE2 HIS A 806 6.388 12.894 -13.456 1.00 7.69 N ATOM 0 H HIS A 806 9.704 10.484 -8.447 1.00 3.41 H new ATOM 0 HA HIS A 806 9.389 11.338 -11.161 1.00 4.17 H new ATOM 0 HB2 HIS A 806 7.187 10.085 -10.540 1.00 5.13 H new ATOM 0 HB3 HIS A 806 6.874 11.439 -9.474 1.00 5.13 H new ATOM 0 HD2 HIS A 806 8.188 11.665 -13.220 1.00 6.77 H new ATOM 0 HE1 HIS A 806 4.562 13.835 -12.858 1.00 7.67 H new ATOM 0 HE2 HIS A 806 6.462 13.198 -14.427 1.00 7.69 H new ATOM 504 N ASN A 807 8.731 12.801 -8.262 1.00 4.10 N ATOM 505 CA ASN A 807 8.927 14.033 -7.506 1.00 4.41 C ATOM 506 C ASN A 807 10.167 13.943 -6.625 1.00 4.33 C ATOM 507 O ASN A 807 11.227 14.464 -6.975 1.00 4.37 O ATOM 508 CB ASN A 807 7.695 14.329 -6.650 1.00 4.84 C ATOM 509 CG ASN A 807 6.651 15.134 -7.400 1.00 5.63 C ATOM 510 OD1 ASN A 807 5.832 14.579 -8.132 1.00 6.02 O ATOM 511 ND2 ASN A 807 6.678 16.449 -7.223 1.00 6.22 N ATOM 0 H ASN A 807 8.240 12.066 -7.753 1.00 4.10 H new ATOM 0 HA ASN A 807 9.072 14.847 -8.216 1.00 4.41 H new ATOM 0 HB2 ASN A 807 7.254 13.390 -6.315 1.00 4.84 H new ATOM 0 HB3 ASN A 807 7.999 14.875 -5.757 1.00 4.84 H new ATOM 0 HD21 ASN A 807 6.002 17.042 -7.704 1.00 6.22 H new ATOM 0 HD22 ASN A 807 7.375 16.866 -6.606 1.00 6.22 H new ATOM 518 N ASN A 808 10.031 13.280 -5.481 1.00 4.61 N ATOM 519 CA ASN A 808 11.144 13.123 -4.550 1.00 4.89 C ATOM 520 C ASN A 808 11.888 11.818 -4.809 1.00 4.54 C ATOM 521 O ASN A 808 11.752 11.215 -5.875 1.00 4.85 O ATOM 522 CB ASN A 808 10.636 13.160 -3.108 1.00 5.45 C ATOM 523 CG ASN A 808 11.281 14.267 -2.296 1.00 6.15 C ATOM 524 OD1 ASN A 808 11.197 15.443 -2.652 1.00 6.37 O ATOM 525 ND2 ASN A 808 11.931 13.895 -1.200 1.00 6.83 N ATOM 0 H ASN A 808 9.161 12.843 -5.176 1.00 4.61 H new ATOM 0 HA ASN A 808 11.837 13.950 -4.704 1.00 4.89 H new ATOM 0 HB2 ASN A 808 9.555 13.297 -3.110 1.00 5.45 H new ATOM 0 HB3 ASN A 808 10.835 12.200 -2.631 1.00 5.45 H new ATOM 0 HD21 ASN A 808 12.386 14.595 -0.615 1.00 6.83 H new ATOM 0 HD22 ASN A 808 11.975 12.909 -0.943 1.00 6.83 H new ATOM 532 N ASN A 809 12.675 11.386 -3.828 1.00 4.24 N ATOM 533 CA ASN A 809 13.441 10.150 -3.950 1.00 4.01 C ATOM 534 C ASN A 809 12.518 8.938 -3.999 1.00 3.02 C ATOM 535 O ASN A 809 11.296 9.075 -4.067 1.00 3.13 O ATOM 536 CB ASN A 809 14.417 10.012 -2.779 1.00 4.74 C ATOM 537 CG ASN A 809 15.376 11.183 -2.680 1.00 5.63 C ATOM 538 OD1 ASN A 809 15.533 11.954 -3.625 1.00 5.91 O ATOM 539 ND2 ASN A 809 16.023 11.320 -1.528 1.00 6.41 N ATOM 0 H ASN A 809 12.799 11.873 -2.940 1.00 4.24 H new ATOM 0 HA ASN A 809 14.004 10.194 -4.882 1.00 4.01 H new ATOM 0 HB2 ASN A 809 13.854 9.928 -1.849 1.00 4.74 H new ATOM 0 HB3 ASN A 809 14.986 9.089 -2.892 1.00 4.74 H new ATOM 0 HD21 ASN A 809 16.681 12.089 -1.401 1.00 6.41 H new ATOM 0 HD22 ASN A 809 15.862 10.656 -0.770 1.00 6.41 H new ATOM 546 N ILE A 810 13.111 7.750 -3.962 1.00 2.60 N ATOM 547 CA ILE A 810 12.346 6.509 -3.999 1.00 2.14 C ATOM 548 C ILE A 810 12.129 5.963 -2.593 1.00 1.67 C ATOM 549 O ILE A 810 10.998 5.900 -2.108 1.00 2.29 O ATOM 550 CB ILE A 810 13.050 5.438 -4.855 1.00 3.00 C ATOM 551 CG1 ILE A 810 13.529 6.040 -6.176 1.00 3.79 C ATOM 552 CG2 ILE A 810 12.120 4.261 -5.109 1.00 3.71 C ATOM 553 CD1 ILE A 810 14.814 5.431 -6.688 1.00 4.78 C ATOM 0 H ILE A 810 14.121 7.620 -3.906 1.00 2.60 H new ATOM 0 HA ILE A 810 11.381 6.741 -4.450 1.00 2.14 H new ATOM 0 HB ILE A 810 13.919 5.075 -4.307 1.00 3.00 H new ATOM 0 HG12 ILE A 810 12.751 5.911 -6.928 1.00 3.79 H new ATOM 0 HG13 ILE A 810 13.672 7.113 -6.046 1.00 3.79 H new ATOM 0 HG21 ILE A 810 12.634 3.515 -5.715 1.00 3.71 H new ATOM 0 HG22 ILE A 810 11.827 3.817 -4.158 1.00 3.71 H new ATOM 0 HG23 ILE A 810 11.231 4.607 -5.637 1.00 3.71 H new ATOM 0 HD11 ILE A 810 15.093 5.907 -7.628 1.00 4.78 H new ATOM 0 HD12 ILE A 810 15.606 5.583 -5.955 1.00 4.78 H new ATOM 0 HD13 ILE A 810 14.671 4.363 -6.851 1.00 4.78 H new ATOM 565 N SER A 811 13.222 5.572 -1.944 1.00 1.31 N ATOM 566 CA SER A 811 13.166 5.030 -0.589 1.00 0.97 C ATOM 567 C SER A 811 12.125 3.914 -0.483 1.00 0.83 C ATOM 568 O SER A 811 11.116 4.059 0.206 1.00 0.94 O ATOM 569 CB SER A 811 12.846 6.141 0.415 1.00 1.31 C ATOM 570 OG SER A 811 13.130 5.726 1.740 1.00 1.80 O ATOM 0 H SER A 811 14.162 5.621 -2.337 1.00 1.31 H new ATOM 0 HA SER A 811 14.144 4.608 -0.356 1.00 0.97 H new ATOM 0 HB2 SER A 811 13.429 7.031 0.176 1.00 1.31 H new ATOM 0 HB3 SER A 811 11.795 6.417 0.334 1.00 1.31 H new ATOM 0 HG SER A 811 12.919 6.453 2.363 1.00 1.80 H new ATOM 576 N PRO A 812 12.357 2.783 -1.176 1.00 0.70 N ATOM 577 CA PRO A 812 11.433 1.642 -1.160 1.00 0.66 C ATOM 578 C PRO A 812 11.259 1.057 0.238 1.00 0.62 C ATOM 579 O PRO A 812 12.205 1.011 1.026 1.00 0.73 O ATOM 580 CB PRO A 812 12.099 0.617 -2.086 1.00 0.70 C ATOM 581 CG PRO A 812 13.064 1.401 -2.907 1.00 0.95 C ATOM 582 CD PRO A 812 13.530 2.524 -2.028 1.00 0.77 C ATOM 0 HA PRO A 812 10.432 1.932 -1.478 1.00 0.66 H new ATOM 0 HB2 PRO A 812 12.608 -0.158 -1.514 1.00 0.70 H new ATOM 0 HB3 PRO A 812 11.362 0.117 -2.715 1.00 0.70 H new ATOM 0 HG2 PRO A 812 13.901 0.780 -3.225 1.00 0.95 H new ATOM 0 HG3 PRO A 812 12.589 1.783 -3.811 1.00 0.95 H new ATOM 0 HD2 PRO A 812 14.402 2.241 -1.439 1.00 0.77 H new ATOM 0 HD3 PRO A 812 13.809 3.403 -2.609 1.00 0.77 H new ATOM 590 N ILE A 813 10.045 0.605 0.536 1.00 0.62 N ATOM 591 CA ILE A 813 9.745 0.017 1.837 1.00 0.61 C ATOM 592 C ILE A 813 9.520 -1.486 1.713 1.00 0.59 C ATOM 593 O ILE A 813 9.235 -1.990 0.626 1.00 0.75 O ATOM 594 CB ILE A 813 8.502 0.664 2.480 1.00 0.70 C ATOM 595 CG1 ILE A 813 8.368 2.123 2.034 1.00 1.22 C ATOM 596 CG2 ILE A 813 8.583 0.574 3.997 1.00 1.05 C ATOM 597 CD1 ILE A 813 7.068 2.772 2.461 1.00 1.94 C ATOM 0 H ILE A 813 9.253 0.635 -0.106 1.00 0.62 H new ATOM 0 HA ILE A 813 10.607 0.205 2.477 1.00 0.61 H new ATOM 0 HB ILE A 813 7.617 0.121 2.149 1.00 0.70 H new ATOM 0 HG12 ILE A 813 9.201 2.696 2.441 1.00 1.22 H new ATOM 0 HG13 ILE A 813 8.448 2.171 0.948 1.00 1.22 H new ATOM 0 HG21 ILE A 813 7.698 1.035 4.437 1.00 1.05 H new ATOM 0 HG22 ILE A 813 8.634 -0.473 4.297 1.00 1.05 H new ATOM 0 HG23 ILE A 813 9.475 1.095 4.345 1.00 1.05 H new ATOM 0 HD11 ILE A 813 7.044 3.804 2.110 1.00 1.94 H new ATOM 0 HD12 ILE A 813 6.229 2.223 2.032 1.00 1.94 H new ATOM 0 HD13 ILE A 813 6.994 2.757 3.548 1.00 1.94 H new ATOM 609 N THR A 814 9.655 -2.199 2.828 1.00 0.49 N ATOM 610 CA THR A 814 9.471 -3.645 2.830 1.00 0.49 C ATOM 611 C THR A 814 8.454 -4.081 3.882 1.00 0.47 C ATOM 612 O THR A 814 7.519 -4.822 3.581 1.00 0.54 O ATOM 613 CB THR A 814 10.800 -4.378 3.089 1.00 0.53 C ATOM 614 OG1 THR A 814 11.514 -3.739 4.154 1.00 1.16 O ATOM 615 CG2 THR A 814 11.661 -4.395 1.834 1.00 1.07 C ATOM 0 H THR A 814 9.890 -1.800 3.737 1.00 0.49 H new ATOM 0 HA THR A 814 9.097 -3.911 1.841 1.00 0.49 H new ATOM 0 HB THR A 814 10.573 -5.406 3.370 1.00 0.53 H new ATOM 0 HG1 THR A 814 12.357 -4.213 4.313 1.00 1.16 H new ATOM 0 HG21 THR A 814 12.595 -4.918 2.040 1.00 1.07 H new ATOM 0 HG22 THR A 814 11.127 -4.908 1.034 1.00 1.07 H new ATOM 0 HG23 THR A 814 11.878 -3.372 1.528 1.00 1.07 H new ATOM 623 N LYS A 815 8.645 -3.624 5.117 1.00 0.42 N ATOM 624 CA LYS A 815 7.744 -3.980 6.209 1.00 0.42 C ATOM 625 C LYS A 815 6.474 -3.138 6.167 1.00 0.40 C ATOM 626 O LYS A 815 6.531 -1.908 6.150 1.00 0.48 O ATOM 627 CB LYS A 815 8.446 -3.797 7.556 1.00 0.49 C ATOM 628 CG LYS A 815 8.774 -5.108 8.252 1.00 0.89 C ATOM 629 CD LYS A 815 8.822 -4.940 9.763 1.00 1.30 C ATOM 630 CE LYS A 815 10.173 -5.354 10.324 1.00 1.97 C ATOM 631 NZ LYS A 815 10.988 -4.178 10.738 1.00 2.69 N ATOM 0 H LYS A 815 9.413 -3.009 5.386 1.00 0.42 H new ATOM 0 HA LYS A 815 7.466 -5.027 6.089 1.00 0.42 H new ATOM 0 HB2 LYS A 815 9.368 -3.236 7.403 1.00 0.49 H new ATOM 0 HB3 LYS A 815 7.812 -3.197 8.209 1.00 0.49 H new ATOM 0 HG2 LYS A 815 8.026 -5.857 7.992 1.00 0.89 H new ATOM 0 HG3 LYS A 815 9.734 -5.480 7.896 1.00 0.89 H new ATOM 0 HD2 LYS A 815 8.622 -3.900 10.022 1.00 1.30 H new ATOM 0 HD3 LYS A 815 8.036 -5.540 10.223 1.00 1.30 H new ATOM 0 HE2 LYS A 815 10.024 -6.012 11.180 1.00 1.97 H new ATOM 0 HE3 LYS A 815 10.718 -5.927 9.573 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 11.901 -4.504 11.115 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 11.152 -3.563 9.916 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 10.480 -3.645 11.473 1.00 2.69 H new ATOM 645 N ILE A 816 5.328 -3.811 6.151 1.00 0.36 N ATOM 646 CA ILE A 816 4.040 -3.126 6.110 1.00 0.38 C ATOM 647 C ILE A 816 2.975 -3.900 6.880 1.00 0.33 C ATOM 648 O ILE A 816 3.119 -5.097 7.131 1.00 0.37 O ATOM 649 CB ILE A 816 3.557 -2.920 4.661 1.00 0.41 C ATOM 650 CG1 ILE A 816 3.992 -4.094 3.778 1.00 0.59 C ATOM 651 CG2 ILE A 816 4.090 -1.608 4.106 1.00 0.84 C ATOM 652 CD1 ILE A 816 3.102 -5.312 3.907 1.00 0.53 C ATOM 0 H ILE A 816 5.264 -4.829 6.166 1.00 0.36 H new ATOM 0 HA ILE A 816 4.189 -2.154 6.580 1.00 0.38 H new ATOM 0 HB ILE A 816 2.468 -2.877 4.662 1.00 0.41 H new ATOM 0 HG12 ILE A 816 4.002 -3.771 2.737 1.00 0.59 H new ATOM 0 HG13 ILE A 816 5.014 -4.372 4.035 1.00 0.59 H new ATOM 0 HG21 ILE A 816 3.740 -1.477 3.082 1.00 0.84 H new ATOM 0 HG22 ILE A 816 3.733 -0.781 4.720 1.00 0.84 H new ATOM 0 HG23 ILE A 816 5.180 -1.624 4.118 1.00 0.84 H new ATOM 0 HD11 ILE A 816 3.470 -6.103 3.253 1.00 0.53 H new ATOM 0 HD12 ILE A 816 3.111 -5.661 4.940 1.00 0.53 H new ATOM 0 HD13 ILE A 816 2.083 -5.050 3.621 1.00 0.53 H new ATOM 664 N LYS A 817 1.902 -3.206 7.248 1.00 0.32 N ATOM 665 CA LYS A 817 0.803 -3.822 7.985 1.00 0.31 C ATOM 666 C LYS A 817 -0.372 -4.103 7.056 1.00 0.32 C ATOM 667 O LYS A 817 -0.440 -3.566 5.951 1.00 0.59 O ATOM 668 CB LYS A 817 0.352 -2.909 9.127 1.00 0.37 C ATOM 669 CG LYS A 817 1.406 -2.708 10.202 1.00 0.39 C ATOM 670 CD LYS A 817 0.965 -3.306 11.526 1.00 0.38 C ATOM 671 CE LYS A 817 1.795 -2.775 12.685 1.00 0.50 C ATOM 672 NZ LYS A 817 1.062 -2.858 13.978 1.00 0.85 N ATOM 0 H LYS A 817 1.770 -2.215 7.047 1.00 0.32 H new ATOM 0 HA LYS A 817 1.157 -4.765 8.401 1.00 0.31 H new ATOM 0 HB2 LYS A 817 0.075 -1.938 8.716 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.544 -3.329 9.584 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.342 -3.168 9.887 1.00 0.39 H new ATOM 0 HG3 LYS A 817 1.601 -1.643 10.329 1.00 0.39 H new ATOM 0 HD2 LYS A 817 -0.087 -3.077 11.697 1.00 0.38 H new ATOM 0 HD3 LYS A 817 1.052 -4.392 11.483 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.723 -3.343 12.757 1.00 0.50 H new ATOM 0 HE3 LYS A 817 2.070 -1.738 12.490 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 1.662 -2.486 14.742 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 0.189 -2.296 13.919 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 0.822 -3.850 14.178 1.00 0.85 H new ATOM 686 N TYR A 818 -1.298 -4.944 7.507 1.00 0.23 N ATOM 687 CA TYR A 818 -2.469 -5.282 6.705 1.00 0.22 C ATOM 688 C TYR A 818 -3.698 -5.502 7.583 1.00 0.23 C ATOM 689 O TYR A 818 -3.583 -5.865 8.753 1.00 0.31 O ATOM 690 CB TYR A 818 -2.194 -6.519 5.847 1.00 0.26 C ATOM 691 CG TYR A 818 -2.167 -7.822 6.617 1.00 0.30 C ATOM 692 CD1 TYR A 818 -1.119 -8.125 7.476 1.00 0.46 C ATOM 693 CD2 TYR A 818 -3.189 -8.753 6.476 1.00 0.41 C ATOM 694 CE1 TYR A 818 -1.089 -9.317 8.173 1.00 0.58 C ATOM 695 CE2 TYR A 818 -3.167 -9.948 7.168 1.00 0.51 C ATOM 696 CZ TYR A 818 -2.115 -10.225 8.015 1.00 0.56 C ATOM 697 OH TYR A 818 -2.088 -11.414 8.709 1.00 0.71 O ATOM 0 H TYR A 818 -1.261 -5.401 8.418 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.676 -4.439 6.045 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -2.957 -6.585 5.072 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.237 -6.390 5.342 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -0.314 -7.416 7.601 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -4.015 -8.538 5.814 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -0.267 -9.537 8.838 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -3.969 -10.661 7.046 1.00 0.51 H new ATOM 0 HH TYR A 818 -2.980 -11.603 9.069 1.00 0.71 H new ATOM 707 N GLN A 819 -4.873 -5.272 7.006 1.00 0.27 N ATOM 708 CA GLN A 819 -6.131 -5.431 7.720 1.00 0.34 C ATOM 709 C GLN A 819 -6.494 -6.900 7.850 1.00 0.40 C ATOM 710 O GLN A 819 -6.930 -7.535 6.889 1.00 0.45 O ATOM 711 CB GLN A 819 -7.249 -4.678 6.998 1.00 0.44 C ATOM 712 CG GLN A 819 -8.394 -4.272 7.911 1.00 0.56 C ATOM 713 CD GLN A 819 -9.750 -4.668 7.357 1.00 1.14 C ATOM 714 OE1 GLN A 819 -10.257 -4.046 6.423 1.00 1.91 O ATOM 715 NE2 GLN A 819 -10.343 -5.707 7.931 1.00 1.44 N ATOM 0 H GLN A 819 -4.978 -4.972 6.037 1.00 0.27 H new ATOM 0 HA GLN A 819 -6.011 -5.014 8.720 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -6.833 -3.785 6.532 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.639 -5.304 6.196 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -8.256 -4.734 8.888 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.368 -3.193 8.062 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -9.886 -6.193 8.703 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -11.256 -6.020 7.601 1.00 1.44 H new ATOM 724 N ASP A 820 -6.310 -7.430 9.048 1.00 0.43 N ATOM 725 CA ASP A 820 -6.615 -8.830 9.323 1.00 0.53 C ATOM 726 C ASP A 820 -8.113 -9.034 9.532 1.00 0.62 C ATOM 727 O ASP A 820 -8.882 -8.073 9.562 1.00 0.65 O ATOM 728 CB ASP A 820 -5.848 -9.305 10.559 1.00 0.58 C ATOM 729 CG ASP A 820 -5.529 -10.786 10.504 1.00 1.13 C ATOM 730 OD1 ASP A 820 -5.069 -11.257 9.442 1.00 1.80 O ATOM 731 OD2 ASP A 820 -5.737 -11.477 11.524 1.00 1.34 O ATOM 0 H ASP A 820 -5.950 -6.912 9.850 1.00 0.43 H new ATOM 0 HA ASP A 820 -6.305 -9.419 8.459 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -4.921 -8.739 10.648 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -6.437 -9.095 11.452 1.00 0.58 H new ATOM 736 N GLU A 821 -8.520 -10.294 9.667 1.00 0.71 N ATOM 737 CA GLU A 821 -9.928 -10.630 9.868 1.00 0.82 C ATOM 738 C GLU A 821 -10.386 -10.291 11.284 1.00 0.83 C ATOM 739 O GLU A 821 -11.487 -10.658 11.693 1.00 0.97 O ATOM 740 CB GLU A 821 -10.166 -12.117 9.587 1.00 0.96 C ATOM 741 CG GLU A 821 -9.340 -13.042 10.465 1.00 1.10 C ATOM 742 CD GLU A 821 -9.059 -14.378 9.803 1.00 1.30 C ATOM 743 OE1 GLU A 821 -9.994 -14.951 9.205 1.00 1.53 O ATOM 744 OE2 GLU A 821 -7.905 -14.849 9.884 1.00 1.62 O ATOM 0 H GLU A 821 -7.895 -11.100 9.641 1.00 0.71 H new ATOM 0 HA GLU A 821 -10.513 -10.032 9.169 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -11.223 -12.341 9.731 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -9.937 -12.322 8.541 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -8.395 -12.556 10.710 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -9.866 -13.210 11.405 1.00 1.10 H new ATOM 751 N ASP A 822 -9.536 -9.588 12.028 1.00 0.79 N ATOM 752 CA ASP A 822 -9.859 -9.201 13.395 1.00 0.81 C ATOM 753 C ASP A 822 -10.220 -7.721 13.468 1.00 0.73 C ATOM 754 O ASP A 822 -10.267 -7.135 14.550 1.00 0.78 O ATOM 755 CB ASP A 822 -8.679 -9.495 14.322 1.00 0.86 C ATOM 756 CG ASP A 822 -9.102 -10.209 15.590 1.00 1.20 C ATOM 757 OD1 ASP A 822 -9.579 -11.359 15.492 1.00 1.56 O ATOM 758 OD2 ASP A 822 -8.953 -9.621 16.681 1.00 1.65 O ATOM 0 H ASP A 822 -8.620 -9.276 11.706 1.00 0.79 H new ATOM 0 HA ASP A 822 -10.721 -9.785 13.719 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -7.948 -10.105 13.792 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -8.184 -8.560 14.583 1.00 0.86 H new ATOM 763 N GLY A 823 -10.475 -7.123 12.306 1.00 0.68 N ATOM 764 CA GLY A 823 -10.825 -5.717 12.257 1.00 0.70 C ATOM 765 C GLY A 823 -9.745 -4.833 12.846 1.00 0.67 C ATOM 766 O GLY A 823 -10.030 -3.940 13.644 1.00 0.88 O ATOM 0 H GLY A 823 -10.445 -7.589 11.399 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -11.005 -5.426 11.222 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -11.757 -5.558 12.799 1.00 0.70 H new ATOM 770 N ASP A 824 -8.498 -5.084 12.449 1.00 0.54 N ATOM 771 CA ASP A 824 -7.366 -4.313 12.937 1.00 0.57 C ATOM 772 C ASP A 824 -6.087 -4.726 12.217 1.00 0.55 C ATOM 773 O ASP A 824 -5.828 -5.912 12.014 1.00 0.93 O ATOM 774 CB ASP A 824 -7.200 -4.503 14.446 1.00 0.65 C ATOM 775 CG ASP A 824 -6.389 -3.391 15.084 1.00 1.15 C ATOM 776 OD1 ASP A 824 -5.143 -3.453 15.021 1.00 1.48 O ATOM 777 OD2 ASP A 824 -7.001 -2.459 15.644 1.00 1.86 O ATOM 0 H ASP A 824 -8.250 -5.820 11.787 1.00 0.54 H new ATOM 0 HA ASP A 824 -7.558 -3.259 12.734 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -8.183 -4.546 14.914 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -6.714 -5.459 14.638 1.00 0.65 H new ATOM 782 N PHE A 825 -5.297 -3.734 11.832 1.00 0.42 N ATOM 783 CA PHE A 825 -4.041 -3.982 11.133 1.00 0.37 C ATOM 784 C PHE A 825 -3.072 -4.759 12.015 1.00 0.38 C ATOM 785 O PHE A 825 -2.977 -4.513 13.217 1.00 0.44 O ATOM 786 CB PHE A 825 -3.401 -2.661 10.703 1.00 0.39 C ATOM 787 CG PHE A 825 -4.228 -1.888 9.716 1.00 0.41 C ATOM 788 CD1 PHE A 825 -4.281 -2.272 8.386 1.00 0.38 C ATOM 789 CD2 PHE A 825 -4.951 -0.778 10.120 1.00 0.59 C ATOM 790 CE1 PHE A 825 -5.043 -1.561 7.476 1.00 0.43 C ATOM 791 CE2 PHE A 825 -5.715 -0.065 9.216 1.00 0.64 C ATOM 792 CZ PHE A 825 -5.760 -0.457 7.892 1.00 0.52 C ATOM 0 H PHE A 825 -5.503 -2.748 11.991 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.261 -4.579 10.248 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.232 -2.044 11.586 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.424 -2.865 10.265 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -3.722 -3.135 8.056 1.00 0.38 H new ATOM 0 HD2 PHE A 825 -4.917 -0.466 11.153 1.00 0.59 H new ATOM 0 HE1 PHE A 825 -5.077 -1.869 6.441 1.00 0.43 H new ATOM 0 HE2 PHE A 825 -6.276 0.798 9.544 1.00 0.64 H new ATOM 0 HZ PHE A 825 -6.355 0.100 7.183 1.00 0.52 H new ATOM 802 N VAL A 826 -2.352 -5.694 11.408 1.00 0.38 N ATOM 803 CA VAL A 826 -1.384 -6.504 12.133 1.00 0.45 C ATOM 804 C VAL A 826 -0.044 -6.517 11.408 1.00 0.36 C ATOM 805 O VAL A 826 0.108 -5.884 10.363 1.00 0.31 O ATOM 806 CB VAL A 826 -1.884 -7.948 12.323 1.00 0.54 C ATOM 807 CG1 VAL A 826 -2.861 -8.026 13.486 1.00 0.97 C ATOM 808 CG2 VAL A 826 -2.533 -8.461 11.048 1.00 0.79 C ATOM 0 H VAL A 826 -2.421 -5.910 10.413 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.256 -6.053 13.117 1.00 0.45 H new ATOM 0 HB VAL A 826 -1.026 -8.580 12.551 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -3.204 -9.054 13.605 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -2.365 -7.701 14.400 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -3.716 -7.379 13.287 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -2.880 -9.483 11.202 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -3.380 -7.825 10.790 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -1.805 -8.443 10.237 1.00 0.79 H new ATOM 818 N VAL A 827 0.926 -7.231 11.966 1.00 0.37 N ATOM 819 CA VAL A 827 2.254 -7.305 11.367 1.00 0.33 C ATOM 820 C VAL A 827 2.428 -8.583 10.559 1.00 0.30 C ATOM 821 O VAL A 827 2.456 -9.684 11.110 1.00 0.35 O ATOM 822 CB VAL A 827 3.364 -7.234 12.434 1.00 0.41 C ATOM 823 CG1 VAL A 827 4.531 -6.397 11.936 1.00 0.52 C ATOM 824 CG2 VAL A 827 2.821 -6.676 13.744 1.00 0.56 C ATOM 0 H VAL A 827 0.820 -7.765 12.828 1.00 0.37 H new ATOM 0 HA VAL A 827 2.342 -6.444 10.704 1.00 0.33 H new ATOM 0 HB VAL A 827 3.723 -8.246 12.620 1.00 0.41 H new ATOM 0 HG11 VAL A 827 5.305 -6.358 12.703 1.00 0.52 H new ATOM 0 HG12 VAL A 827 4.940 -6.845 11.030 1.00 0.52 H new ATOM 0 HG13 VAL A 827 4.187 -5.386 11.717 1.00 0.52 H new ATOM 0 HG21 VAL A 827 3.622 -6.635 14.482 1.00 0.56 H new ATOM 0 HG22 VAL A 827 2.430 -5.672 13.578 1.00 0.56 H new ATOM 0 HG23 VAL A 827 2.022 -7.321 14.111 1.00 0.56 H new ATOM 834 N LEU A 828 2.548 -8.424 9.245 1.00 0.26 N ATOM 835 CA LEU A 828 2.723 -9.557 8.345 1.00 0.28 C ATOM 836 C LEU A 828 4.181 -10.006 8.314 1.00 0.46 C ATOM 837 O LEU A 828 5.077 -9.214 8.020 1.00 0.60 O ATOM 838 CB LEU A 828 2.261 -9.187 6.933 1.00 0.31 C ATOM 839 CG LEU A 828 2.222 -10.349 5.939 1.00 0.45 C ATOM 840 CD1 LEU A 828 0.813 -10.545 5.403 1.00 0.66 C ATOM 841 CD2 LEU A 828 3.200 -10.105 4.799 1.00 0.81 C ATOM 0 H LEU A 828 2.527 -7.517 8.779 1.00 0.26 H new ATOM 0 HA LEU A 828 2.115 -10.383 8.715 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.265 -8.749 6.996 1.00 0.31 H new ATOM 0 HB3 LEU A 828 2.924 -8.416 6.541 1.00 0.31 H new ATOM 0 HG LEU A 828 2.520 -11.259 6.459 1.00 0.45 H new ATOM 0 HD11 LEU A 828 0.804 -11.376 4.697 1.00 0.66 H new ATOM 0 HD12 LEU A 828 0.137 -10.764 6.229 1.00 0.66 H new ATOM 0 HD13 LEU A 828 0.486 -9.636 4.897 1.00 0.66 H new ATOM 0 HD21 LEU A 828 3.160 -10.941 4.100 1.00 0.81 H new ATOM 0 HD22 LEU A 828 2.931 -9.185 4.280 1.00 0.81 H new ATOM 0 HD23 LEU A 828 4.210 -10.014 5.199 1.00 0.81 H new ATOM 853 N GLY A 829 4.409 -11.279 8.617 1.00 0.58 N ATOM 854 CA GLY A 829 5.759 -11.813 8.617 1.00 0.81 C ATOM 855 C GLY A 829 6.396 -11.775 7.243 1.00 0.49 C ATOM 856 O GLY A 829 7.371 -11.055 7.023 1.00 0.45 O ATOM 0 H GLY A 829 3.683 -11.952 8.863 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.372 -11.243 9.315 1.00 0.81 H new ATOM 0 HA3 GLY A 829 5.740 -12.842 8.977 1.00 0.81 H new ATOM 860 N SER A 830 5.842 -12.553 6.317 1.00 0.35 N ATOM 861 CA SER A 830 6.354 -12.613 4.953 1.00 0.23 C ATOM 862 C SER A 830 5.435 -13.469 4.080 1.00 0.19 C ATOM 863 O SER A 830 4.217 -13.296 4.099 1.00 0.20 O ATOM 864 CB SER A 830 7.779 -13.174 4.944 1.00 0.45 C ATOM 865 OG SER A 830 7.941 -14.177 5.930 1.00 1.31 O ATOM 0 H SER A 830 5.035 -13.153 6.489 1.00 0.35 H new ATOM 0 HA SER A 830 6.379 -11.603 4.544 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.004 -13.587 3.961 1.00 0.45 H new ATOM 0 HB3 SER A 830 8.491 -12.368 5.121 1.00 0.45 H new ATOM 0 HG SER A 830 8.859 -14.519 5.901 1.00 1.31 H new ATOM 871 N ASP A 831 6.018 -14.394 3.320 1.00 0.18 N ATOM 872 CA ASP A 831 5.237 -15.270 2.455 1.00 0.18 C ATOM 873 C ASP A 831 4.318 -16.166 3.281 1.00 0.17 C ATOM 874 O ASP A 831 3.396 -16.783 2.750 1.00 0.22 O ATOM 875 CB ASP A 831 6.162 -16.125 1.587 1.00 0.23 C ATOM 876 CG ASP A 831 7.093 -16.992 2.412 1.00 1.33 C ATOM 877 OD1 ASP A 831 8.191 -16.512 2.768 1.00 2.20 O ATOM 878 OD2 ASP A 831 6.725 -18.150 2.702 1.00 1.77 O ATOM 0 H ASP A 831 7.025 -14.555 3.287 1.00 0.18 H new ATOM 0 HA ASP A 831 4.621 -14.647 1.807 1.00 0.18 H new ATOM 0 HB2 ASP A 831 5.561 -16.760 0.936 1.00 0.23 H new ATOM 0 HB3 ASP A 831 6.753 -15.475 0.941 1.00 0.23 H new ATOM 883 N GLU A 832 4.576 -16.227 4.586 1.00 0.18 N ATOM 884 CA GLU A 832 3.772 -17.043 5.490 1.00 0.21 C ATOM 885 C GLU A 832 2.419 -16.392 5.743 1.00 0.19 C ATOM 886 O GLU A 832 1.388 -16.883 5.285 1.00 0.19 O ATOM 887 CB GLU A 832 4.506 -17.255 6.814 1.00 0.26 C ATOM 888 CG GLU A 832 5.254 -18.576 6.888 1.00 0.92 C ATOM 889 CD GLU A 832 6.719 -18.398 7.236 1.00 1.41 C ATOM 890 OE1 GLU A 832 7.353 -17.476 6.681 1.00 2.21 O ATOM 891 OE2 GLU A 832 7.231 -19.179 8.065 1.00 1.63 O ATOM 0 H GLU A 832 5.336 -15.720 5.040 1.00 0.18 H new ATOM 0 HA GLU A 832 3.609 -18.012 5.018 1.00 0.21 H new ATOM 0 HB2 GLU A 832 5.212 -16.438 6.964 1.00 0.26 H new ATOM 0 HB3 GLU A 832 3.786 -17.208 7.631 1.00 0.26 H new ATOM 0 HG2 GLU A 832 4.782 -19.215 7.634 1.00 0.92 H new ATOM 0 HG3 GLU A 832 5.172 -19.090 5.930 1.00 0.92 H new ATOM 898 N ASP A 833 2.431 -15.278 6.472 1.00 0.19 N ATOM 899 CA ASP A 833 1.203 -14.555 6.776 1.00 0.19 C ATOM 900 C ASP A 833 0.518 -14.111 5.493 1.00 0.18 C ATOM 901 O ASP A 833 -0.653 -13.737 5.502 1.00 0.18 O ATOM 902 CB ASP A 833 1.502 -13.342 7.658 1.00 0.22 C ATOM 903 CG ASP A 833 1.498 -13.685 9.135 1.00 0.41 C ATOM 904 OD1 ASP A 833 0.413 -13.991 9.670 1.00 0.73 O ATOM 905 OD2 ASP A 833 2.582 -13.649 9.754 1.00 0.73 O ATOM 0 H ASP A 833 3.276 -14.859 6.861 1.00 0.19 H new ATOM 0 HA ASP A 833 0.534 -15.225 7.317 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.474 -12.930 7.386 1.00 0.22 H new ATOM 0 HB3 ASP A 833 0.761 -12.566 7.466 1.00 0.22 H new ATOM 910 N TRP A 834 1.252 -14.169 4.388 1.00 0.17 N ATOM 911 CA TRP A 834 0.704 -13.787 3.096 1.00 0.17 C ATOM 912 C TRP A 834 -0.110 -14.933 2.514 1.00 0.17 C ATOM 913 O TRP A 834 -1.209 -14.728 2.001 1.00 0.19 O ATOM 914 CB TRP A 834 1.819 -13.381 2.130 1.00 0.19 C ATOM 915 CG TRP A 834 1.327 -12.811 0.829 1.00 0.17 C ATOM 916 CD1 TRP A 834 1.949 -12.904 -0.381 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.123 -12.059 0.602 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.219 -12.254 -1.346 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.091 -11.734 -0.769 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.931 -11.631 1.418 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.947 -11.003 -1.335 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.962 -10.907 0.852 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.964 -10.598 -0.513 1.00 0.26 C ATOM 0 H TRP A 834 2.224 -14.476 4.362 1.00 0.17 H new ATOM 0 HA TRP A 834 0.050 -12.927 3.240 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.458 -12.645 2.618 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.439 -14.253 1.921 1.00 0.19 H new ATOM 0 HD1 TRP A 834 2.884 -13.416 -0.556 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.475 -12.172 -2.330 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.938 -11.863 2.473 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.951 -10.763 -2.388 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.780 -10.574 1.473 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.784 -10.029 -0.926 1.00 0.26 H new ATOM 934 N ASN A 835 0.430 -16.143 2.617 1.00 0.18 N ATOM 935 CA ASN A 835 -0.257 -17.327 2.121 1.00 0.20 C ATOM 936 C ASN A 835 -1.502 -17.589 2.958 1.00 0.20 C ATOM 937 O ASN A 835 -2.536 -18.019 2.444 1.00 0.23 O ATOM 938 CB ASN A 835 0.676 -18.541 2.157 1.00 0.23 C ATOM 939 CG ASN A 835 0.269 -19.568 3.198 1.00 1.38 C ATOM 940 OD1 ASN A 835 -0.605 -20.401 2.954 1.00 1.90 O ATOM 941 ND2 ASN A 835 0.901 -19.514 4.364 1.00 1.98 N ATOM 0 H ASN A 835 1.340 -16.328 3.039 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.555 -17.156 1.087 1.00 0.20 H new ATOM 0 HB2 ASN A 835 0.689 -19.012 1.174 1.00 0.23 H new ATOM 0 HB3 ASN A 835 1.693 -18.206 2.363 1.00 0.23 H new ATOM 0 HD21 ASN A 835 0.669 -20.180 5.101 1.00 1.98 H new ATOM 0 HD22 ASN A 835 1.619 -18.807 4.523 1.00 1.98 H new ATOM 948 N VAL A 836 -1.388 -17.310 4.251 1.00 0.20 N ATOM 949 CA VAL A 836 -2.495 -17.491 5.179 1.00 0.22 C ATOM 950 C VAL A 836 -3.566 -16.440 4.933 1.00 0.22 C ATOM 951 O VAL A 836 -4.727 -16.768 4.688 1.00 0.27 O ATOM 952 CB VAL A 836 -2.027 -17.400 6.645 1.00 0.24 C ATOM 953 CG1 VAL A 836 -3.154 -17.780 7.592 1.00 0.67 C ATOM 954 CG2 VAL A 836 -0.807 -18.280 6.872 1.00 0.62 C ATOM 0 H VAL A 836 -0.534 -16.955 4.682 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.904 -18.486 5.006 1.00 0.22 H new ATOM 0 HB VAL A 836 -1.744 -16.368 6.853 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -2.803 -17.709 8.622 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -3.995 -17.102 7.448 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.473 -18.802 7.387 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -0.491 -18.203 7.912 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -1.058 -19.316 6.645 1.00 0.62 H new ATOM 0 HG23 VAL A 836 0.004 -17.953 6.221 1.00 0.62 H new ATOM 964 N ALA A 837 -3.163 -15.172 4.987 1.00 0.20 N ATOM 965 CA ALA A 837 -4.089 -14.071 4.755 1.00 0.20 C ATOM 966 C ALA A 837 -4.737 -14.196 3.381 1.00 0.20 C ATOM 967 O ALA A 837 -5.830 -13.678 3.150 1.00 0.21 O ATOM 968 CB ALA A 837 -3.377 -12.734 4.885 1.00 0.22 C ATOM 0 H ALA A 837 -2.205 -14.885 5.189 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.872 -14.119 5.512 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -4.086 -11.925 4.708 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.961 -12.639 5.888 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.572 -12.678 4.152 1.00 0.22 H new ATOM 974 N LYS A 838 -4.058 -14.894 2.473 1.00 0.21 N ATOM 975 CA LYS A 838 -4.574 -15.094 1.123 1.00 0.24 C ATOM 976 C LYS A 838 -5.746 -16.068 1.144 1.00 0.24 C ATOM 977 O LYS A 838 -6.759 -15.851 0.478 1.00 0.26 O ATOM 978 CB LYS A 838 -3.473 -15.613 0.195 1.00 0.28 C ATOM 979 CG LYS A 838 -2.774 -14.516 -0.591 1.00 0.38 C ATOM 980 CD LYS A 838 -1.847 -15.090 -1.653 1.00 0.49 C ATOM 981 CE LYS A 838 -0.607 -15.715 -1.034 1.00 0.68 C ATOM 982 NZ LYS A 838 0.240 -16.396 -2.050 1.00 0.85 N ATOM 0 H LYS A 838 -3.152 -15.329 2.648 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.921 -14.133 0.743 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.734 -16.152 0.788 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -3.905 -16.330 -0.503 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -3.519 -13.876 -1.065 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -2.201 -13.887 0.091 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -2.381 -15.840 -2.236 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -1.551 -14.301 -2.344 1.00 0.49 H new ATOM 0 HE2 LYS A 838 -0.023 -14.943 -0.534 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -0.906 -16.433 -0.271 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 1.000 -16.922 -1.573 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -0.344 -17.056 -2.603 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 0.657 -15.687 -2.686 1.00 0.85 H new ATOM 996 N GLU A 839 -5.606 -17.136 1.926 1.00 0.26 N ATOM 997 CA GLU A 839 -6.659 -18.134 2.046 1.00 0.29 C ATOM 998 C GLU A 839 -7.888 -17.519 2.706 1.00 0.27 C ATOM 999 O GLU A 839 -9.017 -17.949 2.471 1.00 0.31 O ATOM 1000 CB GLU A 839 -6.172 -19.332 2.862 1.00 0.34 C ATOM 1001 CG GLU A 839 -5.774 -20.529 2.014 1.00 0.71 C ATOM 1002 CD GLU A 839 -6.969 -21.336 1.546 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -7.892 -21.557 2.358 1.00 1.82 O ATOM 1004 OE2 GLU A 839 -6.984 -21.745 0.366 1.00 1.95 O ATOM 0 H GLU A 839 -4.774 -17.330 2.484 1.00 0.26 H new ATOM 0 HA GLU A 839 -6.925 -18.479 1.047 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -5.318 -19.026 3.466 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -6.959 -19.633 3.553 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -5.211 -20.184 1.147 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -5.109 -21.172 2.590 1.00 0.71 H new ATOM 1011 N MET A 840 -7.653 -16.501 3.530 1.00 0.25 N ATOM 1012 CA MET A 840 -8.728 -15.806 4.225 1.00 0.24 C ATOM 1013 C MET A 840 -9.523 -14.946 3.247 1.00 0.24 C ATOM 1014 O MET A 840 -10.739 -14.801 3.374 1.00 0.27 O ATOM 1015 CB MET A 840 -8.153 -14.939 5.354 1.00 0.24 C ATOM 1016 CG MET A 840 -9.026 -13.751 5.731 1.00 0.26 C ATOM 1017 SD MET A 840 -8.168 -12.563 6.783 1.00 0.30 S ATOM 1018 CE MET A 840 -7.379 -11.523 5.555 1.00 0.27 C ATOM 0 H MET A 840 -6.721 -16.139 3.732 1.00 0.25 H new ATOM 0 HA MET A 840 -9.400 -16.546 4.660 1.00 0.24 H new ATOM 0 HB2 MET A 840 -8.005 -15.562 6.236 1.00 0.24 H new ATOM 0 HB3 MET A 840 -7.171 -14.574 5.053 1.00 0.24 H new ATOM 0 HG2 MET A 840 -9.362 -13.250 4.823 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.917 -14.109 6.246 1.00 0.26 H new ATOM 0 HE1 MET A 840 -6.433 -11.149 5.948 1.00 0.27 H new ATOM 0 HE2 MET A 840 -7.192 -12.104 4.652 1.00 0.27 H new ATOM 0 HE3 MET A 840 -8.031 -10.682 5.317 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.821 -14.383 2.268 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.450 -13.540 1.259 1.00 0.24 C ATOM 1030 C LEU A 841 -10.316 -14.372 0.322 1.00 0.24 C ATOM 1031 O LEU A 841 -11.490 -14.065 0.109 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.383 -12.790 0.458 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.675 -11.664 1.213 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.387 -11.275 0.503 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.592 -10.457 1.356 1.00 0.38 C ATOM 0 H LEU A 841 -7.814 -14.496 2.153 1.00 0.22 H new ATOM 0 HA LEU A 841 -10.088 -12.817 1.767 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.634 -13.507 0.120 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -8.849 -12.371 -0.434 1.00 0.26 H new ATOM 0 HG LEU A 841 -7.423 -12.024 2.211 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -5.896 -10.473 1.054 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.724 -12.139 0.453 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.617 -10.934 -0.507 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -8.071 -9.666 1.896 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -8.875 -10.096 0.367 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.487 -10.744 1.908 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.733 -15.429 -0.235 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.458 -16.302 -1.151 1.00 0.35 C ATOM 1049 C ALA A 842 -11.420 -17.214 -0.403 1.00 0.36 C ATOM 1050 O ALA A 842 -12.136 -18.007 -1.013 1.00 0.49 O ATOM 1051 CB ALA A 842 -9.487 -17.130 -1.975 1.00 0.49 C ATOM 0 H ALA A 842 -8.764 -15.701 -0.069 1.00 0.30 H new ATOM 0 HA ALA A 842 -11.042 -15.670 -1.820 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -10.044 -17.776 -2.653 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -8.843 -16.467 -2.553 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -8.876 -17.742 -1.311 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.441 -17.089 0.921 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.332 -17.899 1.745 1.00 0.42 C ATOM 1059 C GLU A 843 -13.786 -17.540 1.462 1.00 0.53 C ATOM 1060 O GLU A 843 -14.706 -18.119 2.040 1.00 0.69 O ATOM 1061 CB GLU A 843 -12.019 -17.694 3.229 1.00 0.45 C ATOM 1062 CG GLU A 843 -12.390 -18.884 4.099 1.00 0.57 C ATOM 1063 CD GLU A 843 -11.367 -19.154 5.185 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -10.361 -19.835 4.896 1.00 1.68 O ATOM 1065 OE2 GLU A 843 -11.573 -18.685 6.324 1.00 1.36 O ATOM 0 H GLU A 843 -10.855 -16.438 1.444 1.00 0.34 H new ATOM 0 HA GLU A 843 -12.174 -18.948 1.496 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -10.954 -17.490 3.342 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -12.553 -16.813 3.586 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -13.362 -18.705 4.558 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -12.491 -19.770 3.472 1.00 0.57 H new ATOM 1072 N ASN A 844 -13.982 -16.579 0.562 1.00 0.54 N ATOM 1073 CA ASN A 844 -15.317 -16.129 0.187 1.00 0.77 C ATOM 1074 C ASN A 844 -15.326 -15.624 -1.252 1.00 0.81 C ATOM 1075 O ASN A 844 -15.878 -16.270 -2.142 1.00 1.48 O ATOM 1076 CB ASN A 844 -15.792 -15.021 1.129 1.00 0.89 C ATOM 1077 CG ASN A 844 -16.036 -15.521 2.538 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -17.039 -16.181 2.810 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -15.118 -15.207 3.446 1.00 1.05 N ATOM 0 H ASN A 844 -13.226 -16.095 0.077 1.00 0.54 H new ATOM 0 HA ASN A 844 -15.997 -16.977 0.267 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -15.047 -14.225 1.153 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -16.711 -14.585 0.737 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -15.230 -15.515 4.412 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -14.302 -14.658 3.177 1.00 1.05 H new ATOM 1086 N ASN A 845 -14.707 -14.465 -1.465 1.00 0.49 N ATOM 1087 CA ASN A 845 -14.635 -13.860 -2.793 1.00 0.56 C ATOM 1088 C ASN A 845 -13.836 -12.558 -2.759 1.00 0.48 C ATOM 1089 O ASN A 845 -14.054 -11.664 -3.576 1.00 0.57 O ATOM 1090 CB ASN A 845 -16.041 -13.589 -3.335 1.00 0.73 C ATOM 1091 CG ASN A 845 -16.196 -14.018 -4.782 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -16.615 -15.139 -5.067 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -15.860 -13.123 -5.704 1.00 1.97 N ATOM 0 H ASN A 845 -14.247 -13.925 -0.733 1.00 0.49 H new ATOM 0 HA ASN A 845 -14.127 -14.563 -3.453 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -16.772 -14.117 -2.722 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -16.262 -12.525 -3.249 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -15.945 -13.354 -6.694 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -15.517 -12.205 -5.422 1.00 1.97 H new ATOM 1100 N GLU A 846 -12.911 -12.454 -1.805 1.00 0.35 N ATOM 1101 CA GLU A 846 -12.087 -11.258 -1.667 1.00 0.31 C ATOM 1102 C GLU A 846 -10.838 -11.350 -2.538 1.00 0.30 C ATOM 1103 O GLU A 846 -10.390 -12.443 -2.887 1.00 0.49 O ATOM 1104 CB GLU A 846 -11.689 -11.051 -0.205 1.00 0.33 C ATOM 1105 CG GLU A 846 -12.632 -10.138 0.560 1.00 0.44 C ATOM 1106 CD GLU A 846 -12.868 -10.605 1.982 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -11.897 -11.049 2.631 1.00 2.30 O ATOM 1108 OE2 GLU A 846 -14.024 -10.527 2.449 1.00 1.69 O ATOM 0 H GLU A 846 -12.715 -13.183 -1.119 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.677 -10.404 -2.000 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -11.652 -12.020 0.293 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -10.683 -10.634 -0.167 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -12.221 -9.129 0.576 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -13.586 -10.085 0.036 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.281 -10.194 -2.883 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.082 -10.136 -3.712 1.00 0.31 C ATOM 1117 C LYS A 847 -8.197 -8.960 -3.310 1.00 0.36 C ATOM 1118 O LYS A 847 -6.976 -9.008 -3.463 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.460 -10.025 -5.192 1.00 0.38 C ATOM 1120 CG LYS A 847 -10.753 -9.263 -5.436 1.00 0.69 C ATOM 1121 CD LYS A 847 -10.975 -9.002 -6.916 1.00 0.97 C ATOM 1122 CE LYS A 847 -12.453 -9.053 -7.273 1.00 1.32 C ATOM 1123 NZ LYS A 847 -12.722 -8.458 -8.611 1.00 1.98 N ATOM 0 H LYS A 847 -10.642 -9.283 -2.601 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.521 -11.058 -3.558 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -8.650 -9.531 -5.729 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -9.555 -11.027 -5.610 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -11.593 -9.831 -5.036 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -10.725 -8.315 -4.899 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -10.569 -8.025 -7.180 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -10.432 -9.742 -7.503 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -12.794 -10.088 -7.261 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -13.028 -8.519 -6.516 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -13.740 -8.512 -8.817 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -12.420 -7.463 -8.615 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -12.194 -8.983 -9.337 1.00 1.98 H new ATOM 1137 N PHE A 848 -8.822 -7.904 -2.794 1.00 0.32 N ATOM 1138 CA PHE A 848 -8.092 -6.713 -2.368 1.00 0.37 C ATOM 1139 C PHE A 848 -7.463 -6.922 -0.994 1.00 0.30 C ATOM 1140 O PHE A 848 -7.911 -7.764 -0.216 1.00 0.39 O ATOM 1141 CB PHE A 848 -9.024 -5.500 -2.331 1.00 0.50 C ATOM 1142 CG PHE A 848 -9.839 -5.322 -3.582 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -9.225 -5.013 -4.786 1.00 0.92 C ATOM 1144 CD2 PHE A 848 -11.216 -5.468 -3.554 1.00 0.82 C ATOM 1145 CE1 PHE A 848 -9.970 -4.852 -5.938 1.00 1.09 C ATOM 1146 CE2 PHE A 848 -11.966 -5.308 -4.704 1.00 1.02 C ATOM 1147 CZ PHE A 848 -11.348 -4.986 -5.891 1.00 0.98 C ATOM 0 H PHE A 848 -9.832 -7.849 -2.661 1.00 0.32 H new ATOM 0 HA PHE A 848 -7.297 -6.531 -3.091 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -9.698 -5.598 -1.480 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -8.429 -4.602 -2.165 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -8.152 -4.897 -4.824 1.00 0.92 H new ATOM 0 HD2 PHE A 848 -11.709 -5.709 -2.624 1.00 0.82 H new ATOM 0 HE1 PHE A 848 -9.480 -4.622 -6.872 1.00 1.09 H new ATOM 0 HE2 PHE A 848 -13.038 -5.436 -4.671 1.00 1.02 H new ATOM 0 HZ PHE A 848 -11.937 -4.838 -6.784 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.424 -6.146 -0.702 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.732 -6.241 0.582 1.00 0.23 C ATOM 1159 C LEU A 849 -5.331 -4.857 1.087 1.00 0.24 C ATOM 1160 O LEU A 849 -4.680 -4.092 0.375 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.496 -7.137 0.449 1.00 0.26 C ATOM 1162 CG LEU A 849 -4.105 -7.935 1.703 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -3.214 -7.099 2.608 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -5.339 -8.411 2.462 1.00 0.74 C ATOM 0 H LEU A 849 -6.042 -5.444 -1.336 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.414 -6.684 1.308 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.667 -7.840 -0.366 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.649 -6.514 0.160 1.00 0.26 H new ATOM 0 HG LEU A 849 -3.549 -8.816 1.381 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -2.946 -7.679 3.491 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -2.309 -6.819 2.069 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -3.748 -6.199 2.913 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -5.030 -8.972 3.344 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -5.932 -7.550 2.770 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.939 -9.052 1.816 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.727 -4.539 2.319 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.414 -3.244 2.917 1.00 0.29 C ATOM 1178 C ASN A 850 -3.968 -3.195 3.399 1.00 0.30 C ATOM 1179 O ASN A 850 -3.330 -4.231 3.583 1.00 0.43 O ATOM 1180 CB ASN A 850 -6.361 -2.957 4.082 1.00 0.37 C ATOM 1181 CG ASN A 850 -7.749 -2.563 3.617 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -7.813 -1.703 2.607 1.00 1.52 O flip ATOM 1183 ND2 ASN A 850 -8.752 -3.026 4.159 1.00 0.92 N flip ATOM 0 H ASN A 850 -6.265 -5.161 2.922 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.545 -2.480 2.151 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -6.431 -3.841 4.716 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -5.946 -2.157 4.695 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -8.656 -3.684 4.932 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -9.679 -2.752 3.835 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.452 -1.982 3.600 1.00 0.31 N ATOM 1191 CA ILE A 851 -2.078 -1.806 4.059 1.00 0.36 C ATOM 1192 C ILE A 851 -2.000 -0.835 5.232 1.00 0.53 C ATOM 1193 O ILE A 851 -2.984 -0.175 5.567 1.00 0.71 O ATOM 1194 CB ILE A 851 -1.170 -1.306 2.928 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.664 -1.867 1.600 1.00 0.54 C ATOM 1196 CG2 ILE A 851 0.280 -1.694 3.190 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -0.972 -3.140 1.148 1.00 1.04 C ATOM 0 H ILE A 851 -3.964 -1.112 3.452 1.00 0.31 H new ATOM 0 HA ILE A 851 -1.731 -2.786 4.388 1.00 0.36 H new ATOM 0 HB ILE A 851 -1.211 -0.218 2.885 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -2.734 -2.061 1.679 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -1.534 -1.107 0.830 1.00 0.54 H new ATOM 0 HG21 ILE A 851 0.907 -1.330 2.376 1.00 0.53 H new ATOM 0 HG22 ILE A 851 0.611 -1.251 4.129 1.00 0.53 H new ATOM 0 HG23 ILE A 851 0.361 -2.779 3.252 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -1.390 -3.463 0.195 1.00 1.04 H new ATOM 0 HD12 ILE A 851 0.095 -2.952 1.031 1.00 1.04 H new ATOM 0 HD13 ILE A 851 -1.123 -3.921 1.893 1.00 1.04 H new ATOM 1209 N ARG A 852 -0.824 -0.753 5.851 1.00 0.59 N ATOM 1210 CA ARG A 852 -0.609 0.138 6.987 1.00 0.80 C ATOM 1211 C ARG A 852 -1.019 1.569 6.643 1.00 0.83 C ATOM 1212 O ARG A 852 -2.156 1.974 6.886 1.00 1.70 O ATOM 1213 CB ARG A 852 0.863 0.096 7.414 1.00 1.22 C ATOM 1214 CG ARG A 852 1.192 1.019 8.577 1.00 2.24 C ATOM 1215 CD ARG A 852 2.504 0.634 9.241 1.00 3.05 C ATOM 1216 NE ARG A 852 3.045 1.725 10.047 1.00 3.71 N ATOM 1217 CZ ARG A 852 3.917 2.618 9.588 1.00 4.39 C ATOM 1218 NH1 ARG A 852 4.350 2.547 8.336 1.00 4.68 N ATOM 1219 NH2 ARG A 852 4.358 3.584 10.384 1.00 5.09 N ATOM 0 H ARG A 852 -0.003 -1.296 5.583 1.00 0.59 H new ATOM 0 HA ARG A 852 -1.231 -0.203 7.815 1.00 0.80 H new ATOM 0 HB2 ARG A 852 1.123 -0.926 7.689 1.00 1.22 H new ATOM 0 HB3 ARG A 852 1.487 0.365 6.561 1.00 1.22 H new ATOM 0 HG2 ARG A 852 1.252 2.047 8.221 1.00 2.24 H new ATOM 0 HG3 ARG A 852 0.387 0.982 9.311 1.00 2.24 H new ATOM 0 HD2 ARG A 852 2.349 -0.241 9.872 1.00 3.05 H new ATOM 0 HD3 ARG A 852 3.229 0.352 8.477 1.00 3.05 H new ATOM 0 HE ARG A 852 2.737 1.807 11.016 1.00 3.71 H new ATOM 0 HH11 ARG A 852 4.014 1.805 7.721 1.00 4.68 H new ATOM 0 HH12 ARG A 852 5.019 3.234 7.988 1.00 4.68 H new ATOM 0 HH21 ARG A 852 4.028 3.641 11.347 1.00 5.09 H new ATOM 0 HH22 ARG A 852 5.027 4.269 10.032 1.00 5.09 H new ATOM 1233 N LEU A 853 -0.085 2.327 6.072 1.00 0.91 N ATOM 1234 CA LEU A 853 -0.343 3.713 5.686 1.00 1.58 C ATOM 1235 C LEU A 853 -0.843 4.539 6.870 1.00 2.01 C ATOM 1236 O LEU A 853 -1.416 5.613 6.688 1.00 2.60 O ATOM 1237 CB LEU A 853 -1.363 3.763 4.545 1.00 1.88 C ATOM 1238 CG LEU A 853 -0.986 4.681 3.381 1.00 1.74 C ATOM 1239 CD1 LEU A 853 0.049 4.016 2.489 1.00 1.95 C ATOM 1240 CD2 LEU A 853 -2.223 5.056 2.579 1.00 2.38 C ATOM 0 H LEU A 853 0.860 2.004 5.866 1.00 0.91 H new ATOM 0 HA LEU A 853 0.599 4.145 5.347 1.00 1.58 H new ATOM 0 HB2 LEU A 853 -1.505 2.753 4.160 1.00 1.88 H new ATOM 0 HB3 LEU A 853 -2.322 4.088 4.949 1.00 1.88 H new ATOM 0 HG LEU A 853 -0.550 5.593 3.788 1.00 1.74 H new ATOM 0 HD11 LEU A 853 0.304 4.685 1.667 1.00 1.95 H new ATOM 0 HD12 LEU A 853 0.945 3.798 3.071 1.00 1.95 H new ATOM 0 HD13 LEU A 853 -0.358 3.088 2.089 1.00 1.95 H new ATOM 0 HD21 LEU A 853 -1.938 5.709 1.754 1.00 2.38 H new ATOM 0 HD22 LEU A 853 -2.687 4.153 2.183 1.00 2.38 H new ATOM 0 HD23 LEU A 853 -2.932 5.575 3.225 1.00 2.38 H new ATOM 1252 N TYR A 854 -0.620 4.036 8.080 1.00 1.85 N ATOM 1253 CA TYR A 854 -1.046 4.732 9.288 1.00 2.27 C ATOM 1254 C TYR A 854 0.077 4.767 10.321 1.00 2.81 C ATOM 1255 O TYR A 854 0.091 5.705 11.147 1.00 3.39 O ATOM 1256 CB TYR A 854 -2.296 4.069 9.879 1.00 2.12 C ATOM 1257 CG TYR A 854 -2.007 2.843 10.720 1.00 1.65 C ATOM 1258 CD1 TYR A 854 -1.824 1.598 10.131 1.00 1.32 C ATOM 1259 CD2 TYR A 854 -1.918 2.932 12.104 1.00 1.81 C ATOM 1260 CE1 TYR A 854 -1.560 0.478 10.896 1.00 1.08 C ATOM 1261 CE2 TYR A 854 -1.655 1.818 12.876 1.00 1.84 C ATOM 1262 CZ TYR A 854 -1.477 0.593 12.268 1.00 1.48 C ATOM 1263 OH TYR A 854 -1.215 -0.520 13.033 1.00 1.82 O ATOM 1264 OXT TYR A 854 0.931 3.857 10.295 1.00 3.18 O ATOM 0 H TYR A 854 -0.147 3.149 8.250 1.00 1.85 H new ATOM 0 HA TYR A 854 -1.292 5.759 9.018 1.00 2.27 H new ATOM 0 HB2 TYR A 854 -2.827 4.799 10.490 1.00 2.12 H new ATOM 0 HB3 TYR A 854 -2.965 3.789 9.065 1.00 2.12 H new ATOM 0 HD1 TYR A 854 -1.889 1.504 9.057 1.00 1.32 H new ATOM 0 HD2 TYR A 854 -2.057 3.889 12.584 1.00 1.81 H new ATOM 0 HE1 TYR A 854 -1.419 -0.482 10.422 1.00 1.08 H new ATOM 0 HE2 TYR A 854 -1.589 1.905 13.950 1.00 1.84 H new ATOM 0 HH TYR A 854 -1.188 -0.267 13.980 1.00 1.82 H new TER 1274 TYR A 854