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 782 THR OG1 : rot 180:sc= 0.0189 USER MOD Set 1.2: A 819 GLN : amide:sc=-0.00565 K(o=-1.8,f=-3.5) USER MOD Set 1.3: A 850 ASN :FLIP amide:sc= -1.82 F(o=-3.3!,f=-1.8) USER MOD Set 2.1: A 817 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 854 TYR OH : rot 30:sc= -0.0242 USER MOD Set 3.1: A 804 ASN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Set 3.2: A 805 THR OG1 : rot 180:sc= 0 USER MOD Single : A 777 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 779 SER OG : rot 180:sc= 0.016 USER MOD Single : A 787 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN :FLIP amide:sc= -0.285 F(o=-1.4,f=-0.28) USER MOD Single : A 796 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 799 ASN : amide:sc= -2.2 K(o=-2.2,f=-6!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 803 SER OG : rot -5:sc= 1.01 USER MOD Single : A 806 HIS : no HD1:sc= -0.305 X(o=-0.3,f=-0.5) USER MOD Single : A 807 ASN : amide:sc= -0.0528 X(o=-0.053,f=0) USER MOD Single : A 808 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 809 ASN : amide:sc= -0.263 X(o=-0.26,f=0.1) USER MOD Single : A 811 SER OG : rot 180:sc= -0.23 USER MOD Single : A 814 THR OG1 : rot 180:sc= 0.0663 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 TYR OH : rot 135:sc= 0.259 USER MOD Single : A 830 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -1.44 X(o=-1.4,f=-1) USER MOD Single : A 838 LYS NZ :NH3+ -162:sc= -0.351 (180deg=-0.609) USER MOD Single : A 840 MET CE :methyl 156:sc= -0.324 (180deg=-0.937) USER MOD Single : A 844 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.13) 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 -11.425 14.732 13.047 1.00 9.10 N ATOM 2 CA GLY A 775 -12.362 13.596 13.266 1.00 8.80 C ATOM 3 C GLY A 775 -11.778 12.269 12.822 1.00 8.11 C ATOM 4 O GLY A 775 -12.045 11.231 13.429 1.00 8.12 O ATOM 0 HA2 GLY A 775 -12.620 13.540 14.324 1.00 8.80 H new ATOM 0 HA3 GLY A 775 -13.288 13.782 12.722 1.00 8.80 H new ATOM 10 N ALA A 776 -10.981 12.303 11.759 1.00 7.81 N ATOM 11 CA ALA A 776 -10.359 11.093 11.231 1.00 7.43 C ATOM 12 C ALA A 776 -9.056 11.418 10.508 1.00 6.66 C ATOM 13 O ALA A 776 -8.985 12.377 9.738 1.00 6.79 O ATOM 14 CB ALA A 776 -11.318 10.372 10.296 1.00 8.12 C ATOM 0 H ALA A 776 -10.750 13.154 11.246 1.00 7.81 H new ATOM 0 HA ALA A 776 -10.126 10.437 12.070 1.00 7.43 H new ATOM 0 HB1 ALA A 776 -10.841 9.471 9.909 1.00 8.12 H new ATOM 0 HB2 ALA A 776 -12.221 10.099 10.841 1.00 8.12 H new ATOM 0 HB3 ALA A 776 -11.580 11.029 9.466 1.00 8.12 H new ATOM 20 N MET A 777 -8.027 10.614 10.759 1.00 6.18 N ATOM 21 CA MET A 777 -6.726 10.818 10.130 1.00 5.71 C ATOM 22 C MET A 777 -6.115 9.489 9.695 1.00 5.06 C ATOM 23 O MET A 777 -6.204 8.490 10.408 1.00 5.55 O ATOM 24 CB MET A 777 -5.779 11.537 11.091 1.00 6.17 C ATOM 25 CG MET A 777 -5.260 12.863 10.557 1.00 6.70 C ATOM 26 SD MET A 777 -4.416 13.837 11.817 1.00 7.49 S ATOM 27 CE MET A 777 -5.432 15.311 11.840 1.00 8.34 C ATOM 0 H MET A 777 -8.069 9.816 11.393 1.00 6.18 H new ATOM 0 HA MET A 777 -6.873 11.436 9.244 1.00 5.71 H new ATOM 0 HB2 MET A 777 -6.296 11.712 12.034 1.00 6.17 H new ATOM 0 HB3 MET A 777 -4.932 10.886 11.308 1.00 6.17 H new ATOM 0 HG2 MET A 777 -4.575 12.674 9.730 1.00 6.70 H new ATOM 0 HG3 MET A 777 -6.093 13.440 10.155 1.00 6.70 H new ATOM 0 HE1 MET A 777 -5.037 16.014 12.573 1.00 8.34 H new ATOM 0 HE2 MET A 777 -5.424 15.774 10.853 1.00 8.34 H new ATOM 0 HE3 MET A 777 -6.454 15.044 12.107 1.00 8.34 H new ATOM 37 N GLY A 778 -5.494 9.488 8.518 1.00 4.25 N ATOM 38 CA GLY A 778 -4.876 8.279 8.004 1.00 3.79 C ATOM 39 C GLY A 778 -5.610 7.717 6.803 1.00 2.65 C ATOM 40 O GLY A 778 -6.837 7.782 6.731 1.00 2.91 O ATOM 0 H GLY A 778 -5.408 10.304 7.911 1.00 4.25 H new ATOM 0 HA2 GLY A 778 -3.843 8.492 7.728 1.00 3.79 H new ATOM 0 HA3 GLY A 778 -4.846 7.527 8.792 1.00 3.79 H new ATOM 44 N SER A 779 -4.857 7.164 5.858 1.00 1.98 N ATOM 45 CA SER A 779 -5.440 6.585 4.653 1.00 1.35 C ATOM 46 C SER A 779 -5.157 5.087 4.575 1.00 1.02 C ATOM 47 O SER A 779 -4.584 4.506 5.496 1.00 1.06 O ATOM 48 CB SER A 779 -4.888 7.287 3.409 1.00 2.12 C ATOM 49 OG SER A 779 -5.813 7.228 2.337 1.00 2.61 O ATOM 0 H SER A 779 -3.840 7.105 5.904 1.00 1.98 H new ATOM 0 HA SER A 779 -6.520 6.729 4.696 1.00 1.35 H new ATOM 0 HB2 SER A 779 -4.665 8.328 3.644 1.00 2.12 H new ATOM 0 HB3 SER A 779 -3.950 6.819 3.110 1.00 2.12 H new ATOM 0 HG SER A 779 -5.438 7.685 1.555 1.00 2.61 H new ATOM 55 N ILE A 780 -5.566 4.469 3.470 1.00 0.79 N ATOM 56 CA ILE A 780 -5.358 3.038 3.272 1.00 0.51 C ATOM 57 C ILE A 780 -4.799 2.753 1.881 1.00 0.46 C ATOM 58 O ILE A 780 -4.402 3.669 1.162 1.00 0.53 O ATOM 59 CB ILE A 780 -6.667 2.240 3.460 1.00 0.43 C ATOM 60 CG1 ILE A 780 -7.760 3.130 4.058 1.00 0.64 C ATOM 61 CG2 ILE A 780 -6.421 1.027 4.347 1.00 0.58 C ATOM 62 CD1 ILE A 780 -9.125 2.477 4.095 1.00 1.22 C ATOM 0 H ILE A 780 -6.043 4.936 2.699 1.00 0.79 H new ATOM 0 HA ILE A 780 -4.639 2.719 4.026 1.00 0.51 H new ATOM 0 HB ILE A 780 -7.006 1.894 2.483 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -7.474 3.410 5.072 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -7.823 4.051 3.479 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -7.351 0.473 4.472 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -5.674 0.383 3.883 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -6.061 1.356 5.322 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -9.847 3.167 4.531 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -9.434 2.222 3.081 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -9.079 1.571 4.699 1.00 1.22 H new ATOM 74 N PHE A 781 -4.774 1.476 1.506 1.00 0.39 N ATOM 75 CA PHE A 781 -4.272 1.068 0.205 1.00 0.36 C ATOM 76 C PHE A 781 -4.790 -0.319 -0.143 1.00 0.30 C ATOM 77 O PHE A 781 -4.220 -1.329 0.266 1.00 0.35 O ATOM 78 CB PHE A 781 -2.742 1.083 0.190 1.00 0.41 C ATOM 79 CG PHE A 781 -2.155 1.784 -1.005 1.00 0.45 C ATOM 80 CD1 PHE A 781 -2.557 3.067 -1.339 1.00 0.73 C ATOM 81 CD2 PHE A 781 -1.201 1.158 -1.793 1.00 0.81 C ATOM 82 CE1 PHE A 781 -2.019 3.714 -2.436 1.00 0.80 C ATOM 83 CE2 PHE A 781 -0.660 1.800 -2.891 1.00 0.94 C ATOM 84 CZ PHE A 781 -1.070 3.079 -3.213 1.00 0.73 C ATOM 0 H PHE A 781 -5.098 0.706 2.091 1.00 0.39 H new ATOM 0 HA PHE A 781 -4.629 1.776 -0.543 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -2.383 1.569 1.097 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -2.377 0.056 0.213 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -3.299 3.568 -0.735 1.00 0.73 H new ATOM 0 HD2 PHE A 781 -0.877 0.158 -1.546 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -2.340 4.715 -2.685 1.00 0.80 H new ATOM 0 HE2 PHE A 781 0.083 1.302 -3.497 1.00 0.94 H new ATOM 0 HZ PHE A 781 -0.649 3.582 -4.071 1.00 0.73 H new ATOM 94 N THR A 782 -5.881 -0.360 -0.892 1.00 0.28 N ATOM 95 CA THR A 782 -6.485 -1.625 -1.288 1.00 0.29 C ATOM 96 C THR A 782 -6.046 -2.024 -2.691 1.00 0.35 C ATOM 97 O THR A 782 -6.692 -1.682 -3.683 1.00 0.52 O ATOM 98 CB THR A 782 -8.022 -1.549 -1.246 1.00 0.41 C ATOM 99 OG1 THR A 782 -8.439 -0.247 -0.820 1.00 0.67 O ATOM 100 CG2 THR A 782 -8.591 -2.601 -0.307 1.00 0.44 C ATOM 0 H THR A 782 -6.367 0.467 -1.238 1.00 0.28 H new ATOM 0 HA THR A 782 -6.146 -2.377 -0.575 1.00 0.29 H new ATOM 0 HB THR A 782 -8.399 -1.739 -2.251 1.00 0.41 H new ATOM 0 HG1 THR A 782 -9.418 -0.208 -0.798 1.00 0.67 H new ATOM 0 HG21 THR A 782 -9.678 -2.527 -0.294 1.00 0.44 H new ATOM 0 HG22 THR A 782 -8.298 -3.593 -0.652 1.00 0.44 H new ATOM 0 HG23 THR A 782 -8.205 -2.438 0.699 1.00 0.44 H new ATOM 108 N LEU A 783 -4.938 -2.753 -2.759 1.00 0.40 N ATOM 109 CA LEU A 783 -4.389 -3.212 -4.025 1.00 0.56 C ATOM 110 C LEU A 783 -4.959 -4.577 -4.396 1.00 0.58 C ATOM 111 O LEU A 783 -5.078 -5.459 -3.545 1.00 0.99 O ATOM 112 CB LEU A 783 -2.864 -3.295 -3.930 1.00 0.67 C ATOM 113 CG LEU A 783 -2.112 -3.054 -5.239 1.00 0.94 C ATOM 114 CD1 LEU A 783 -1.468 -1.676 -5.236 1.00 1.57 C ATOM 115 CD2 LEU A 783 -1.064 -4.136 -5.449 1.00 1.53 C ATOM 0 H LEU A 783 -4.399 -3.040 -1.942 1.00 0.40 H new ATOM 0 HA LEU A 783 -4.665 -2.498 -4.801 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -2.522 -2.566 -3.195 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -2.593 -4.281 -3.551 1.00 0.67 H new ATOM 0 HG LEU A 783 -2.823 -3.096 -6.064 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -0.937 -1.521 -6.175 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -2.240 -0.914 -5.125 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -0.766 -1.604 -4.406 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -0.535 -3.954 -6.384 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -0.354 -4.121 -4.622 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -1.551 -5.110 -5.491 1.00 1.53 H new ATOM 127 N LEU A 784 -5.305 -4.746 -5.667 1.00 0.27 N ATOM 128 CA LEU A 784 -5.858 -6.009 -6.140 1.00 0.26 C ATOM 129 C LEU A 784 -4.843 -7.131 -5.970 1.00 0.23 C ATOM 130 O LEU A 784 -3.852 -7.207 -6.695 1.00 0.29 O ATOM 131 CB LEU A 784 -6.271 -5.899 -7.606 1.00 0.31 C ATOM 132 CG LEU A 784 -6.892 -7.167 -8.201 1.00 0.51 C ATOM 133 CD1 LEU A 784 -8.310 -6.896 -8.676 1.00 0.81 C ATOM 134 CD2 LEU A 784 -6.036 -7.694 -9.342 1.00 0.75 C ATOM 0 H LEU A 784 -5.213 -4.028 -6.385 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.741 -6.238 -5.544 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -6.985 -5.081 -7.706 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -5.394 -5.631 -8.196 1.00 0.31 H new ATOM 0 HG LEU A 784 -6.933 -7.928 -7.422 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -8.734 -7.808 -9.095 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -8.919 -6.566 -7.834 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -8.296 -6.118 -9.440 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -6.492 -8.595 -9.753 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -5.963 -6.936 -10.122 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -5.039 -7.929 -8.970 1.00 0.75 H new ATOM 146 N VAL A 785 -5.106 -7.995 -5.004 1.00 0.25 N ATOM 147 CA VAL A 785 -4.227 -9.122 -4.717 1.00 0.30 C ATOM 148 C VAL A 785 -4.726 -10.386 -5.411 1.00 0.34 C ATOM 149 O VAL A 785 -5.919 -10.684 -5.396 1.00 0.55 O ATOM 150 CB VAL A 785 -4.123 -9.372 -3.198 1.00 0.39 C ATOM 151 CG1 VAL A 785 -3.586 -10.767 -2.908 1.00 1.11 C ATOM 152 CG2 VAL A 785 -3.250 -8.311 -2.542 1.00 1.18 C ATOM 0 H VAL A 785 -5.926 -7.939 -4.400 1.00 0.25 H new ATOM 0 HA VAL A 785 -3.237 -8.873 -5.099 1.00 0.30 H new ATOM 0 HB VAL A 785 -5.125 -9.305 -2.774 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -3.523 -10.916 -1.830 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -4.256 -11.511 -3.339 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -2.594 -10.874 -3.347 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -3.188 -8.503 -1.471 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -2.250 -8.343 -2.975 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -3.686 -7.326 -2.710 1.00 1.18 H new ATOM 162 N GLU A 786 -3.802 -11.126 -6.015 1.00 0.38 N ATOM 163 CA GLU A 786 -4.146 -12.359 -6.716 1.00 0.42 C ATOM 164 C GLU A 786 -3.907 -13.577 -5.828 1.00 0.46 C ATOM 165 O GLU A 786 -3.234 -13.487 -4.800 1.00 0.48 O ATOM 166 CB GLU A 786 -3.328 -12.483 -8.003 1.00 0.43 C ATOM 167 CG GLU A 786 -4.061 -13.206 -9.122 1.00 0.56 C ATOM 168 CD GLU A 786 -4.460 -12.278 -10.254 1.00 0.75 C ATOM 169 OE1 GLU A 786 -3.668 -11.372 -10.584 1.00 1.02 O ATOM 170 OE2 GLU A 786 -5.565 -12.457 -10.806 1.00 1.40 O ATOM 0 H GLU A 786 -2.809 -10.894 -6.033 1.00 0.38 H new ATOM 0 HA GLU A 786 -5.206 -12.320 -6.969 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -3.052 -11.486 -8.346 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.401 -13.013 -7.785 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -3.425 -13.999 -9.515 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -4.953 -13.684 -8.717 1.00 0.56 H new ATOM 177 N LYS A 787 -4.460 -14.715 -6.236 1.00 0.51 N ATOM 178 CA LYS A 787 -4.306 -15.957 -5.485 1.00 0.57 C ATOM 179 C LYS A 787 -3.056 -16.709 -5.938 1.00 0.60 C ATOM 180 O LYS A 787 -3.113 -17.895 -6.258 1.00 1.07 O ATOM 181 CB LYS A 787 -5.544 -16.841 -5.659 1.00 0.64 C ATOM 182 CG LYS A 787 -6.843 -16.154 -5.261 1.00 1.29 C ATOM 183 CD LYS A 787 -7.860 -16.186 -6.391 1.00 1.49 C ATOM 184 CE LYS A 787 -8.678 -14.905 -6.442 1.00 2.24 C ATOM 185 NZ LYS A 787 -8.813 -14.386 -7.831 1.00 2.85 N ATOM 0 H LYS A 787 -5.020 -14.803 -7.084 1.00 0.51 H new ATOM 0 HA LYS A 787 -4.197 -15.707 -4.430 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -5.613 -17.155 -6.701 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -5.422 -17.744 -5.061 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -7.260 -16.644 -4.381 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -6.639 -15.120 -4.983 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -7.345 -16.328 -7.341 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -8.526 -17.039 -6.259 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -9.668 -15.090 -6.026 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -8.206 -14.148 -5.816 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -9.377 -13.512 -7.822 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -7.870 -14.185 -8.220 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -9.287 -15.098 -8.423 1.00 2.85 H new ATOM 199 N VAL A 788 -1.931 -16.001 -5.966 1.00 0.29 N ATOM 200 CA VAL A 788 -0.661 -16.586 -6.383 1.00 0.29 C ATOM 201 C VAL A 788 0.504 -15.694 -5.965 1.00 0.26 C ATOM 202 O VAL A 788 1.616 -16.168 -5.730 1.00 0.29 O ATOM 203 CB VAL A 788 -0.621 -16.794 -7.915 1.00 0.32 C ATOM 204 CG1 VAL A 788 -1.194 -15.582 -8.634 1.00 0.31 C ATOM 205 CG2 VAL A 788 0.794 -17.081 -8.392 1.00 0.33 C ATOM 0 H VAL A 788 -1.873 -15.017 -5.704 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.569 -17.555 -5.893 1.00 0.29 H new ATOM 0 HB VAL A 788 -1.237 -17.661 -8.153 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -1.157 -15.747 -9.711 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -2.228 -15.431 -8.325 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.607 -14.699 -8.382 1.00 0.31 H new ATOM 0 HG21 VAL A 788 0.792 -17.223 -9.473 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.441 -16.242 -8.138 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.165 -17.985 -7.908 1.00 0.33 H new ATOM 215 N TRP A 789 0.231 -14.396 -5.877 1.00 0.21 N ATOM 216 CA TRP A 789 1.238 -13.413 -5.493 1.00 0.18 C ATOM 217 C TRP A 789 2.013 -13.843 -4.257 1.00 0.18 C ATOM 218 O TRP A 789 1.427 -14.207 -3.237 1.00 0.19 O ATOM 219 CB TRP A 789 0.575 -12.065 -5.218 1.00 0.18 C ATOM 220 CG TRP A 789 0.291 -11.270 -6.454 1.00 0.20 C ATOM 221 CD1 TRP A 789 0.371 -11.701 -7.746 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.112 -9.900 -6.510 1.00 0.22 C ATOM 223 NE1 TRP A 789 0.042 -10.681 -8.603 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.260 -9.563 -7.868 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.365 -8.925 -5.540 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -0.649 -8.291 -8.281 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.750 -7.665 -5.950 1.00 0.28 C ATOM 228 CH2 TRP A 789 -0.889 -7.355 -7.309 1.00 0.30 C ATOM 0 H TRP A 789 -0.688 -13.998 -6.068 1.00 0.21 H new ATOM 0 HA TRP A 789 1.938 -13.329 -6.324 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.359 -12.232 -4.682 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.219 -11.481 -4.561 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.652 -12.699 -8.050 1.00 0.22 H new ATOM 0 HE1 TRP A 789 0.025 -10.744 -9.621 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.261 -9.154 -4.490 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -0.758 -8.051 -9.328 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -0.948 -6.904 -5.210 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -1.191 -6.359 -7.596 1.00 0.30 H new ATOM 239 N ASN A 790 3.334 -13.766 -4.346 1.00 0.18 N ATOM 240 CA ASN A 790 4.197 -14.109 -3.226 1.00 0.20 C ATOM 241 C ASN A 790 4.577 -12.834 -2.491 1.00 0.18 C ATOM 242 O ASN A 790 4.336 -11.737 -2.991 1.00 0.20 O ATOM 243 CB ASN A 790 5.453 -14.840 -3.709 1.00 0.24 C ATOM 244 CG ASN A 790 5.562 -14.869 -5.221 1.00 0.93 C ATOM 245 OD1 ASN A 790 6.308 -13.922 -5.777 1.00 1.89 O flip ATOM 246 ND2 ASN A 790 4.984 -15.731 -5.880 1.00 0.77 N flip ATOM 0 H ASN A 790 3.832 -13.468 -5.185 1.00 0.18 H new ATOM 0 HA ASN A 790 3.662 -14.778 -2.552 1.00 0.20 H new ATOM 0 HB2 ASN A 790 6.335 -14.353 -3.294 1.00 0.24 H new ATOM 0 HB3 ASN A 790 5.444 -15.862 -3.329 1.00 0.24 H new ATOM 0 HD21 ASN A 790 4.421 -16.440 -5.410 1.00 0.77 H new ATOM 0 HD22 ASN A 790 5.068 -15.737 -6.897 1.00 0.77 H new ATOM 253 N PHE A 791 5.163 -12.966 -1.305 1.00 0.20 N ATOM 254 CA PHE A 791 5.556 -11.794 -0.530 1.00 0.20 C ATOM 255 C PHE A 791 6.425 -10.869 -1.373 1.00 0.16 C ATOM 256 O PHE A 791 6.490 -9.665 -1.130 1.00 0.17 O ATOM 257 CB PHE A 791 6.296 -12.213 0.744 1.00 0.26 C ATOM 258 CG PHE A 791 6.765 -11.055 1.578 1.00 0.35 C ATOM 259 CD1 PHE A 791 5.854 -10.211 2.193 1.00 0.44 C ATOM 260 CD2 PHE A 791 8.119 -10.809 1.745 1.00 0.47 C ATOM 261 CE1 PHE A 791 6.283 -9.144 2.959 1.00 0.57 C ATOM 262 CE2 PHE A 791 8.555 -9.743 2.511 1.00 0.59 C ATOM 263 CZ PHE A 791 7.631 -8.913 3.124 1.00 0.63 C ATOM 0 H PHE A 791 5.374 -13.861 -0.864 1.00 0.20 H new ATOM 0 HA PHE A 791 4.655 -11.254 -0.240 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.638 -12.840 1.346 1.00 0.26 H new ATOM 0 HB3 PHE A 791 7.156 -12.824 0.470 1.00 0.26 H new ATOM 0 HD1 PHE A 791 4.796 -10.389 2.072 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.842 -11.457 1.272 1.00 0.47 H new ATOM 0 HE1 PHE A 791 5.562 -8.491 3.428 1.00 0.57 H new ATOM 0 HE2 PHE A 791 9.612 -9.558 2.631 1.00 0.59 H new ATOM 0 HZ PHE A 791 7.967 -8.085 3.731 1.00 0.63 H new ATOM 273 N ASP A 792 7.072 -11.442 -2.381 1.00 0.17 N ATOM 274 CA ASP A 792 7.914 -10.671 -3.282 1.00 0.17 C ATOM 275 C ASP A 792 7.043 -9.903 -4.265 1.00 0.16 C ATOM 276 O ASP A 792 7.064 -8.674 -4.293 1.00 0.19 O ATOM 277 CB ASP A 792 8.869 -11.590 -4.041 1.00 0.22 C ATOM 278 CG ASP A 792 9.567 -12.579 -3.128 1.00 1.17 C ATOM 279 OD1 ASP A 792 10.158 -12.142 -2.119 1.00 1.47 O ATOM 280 OD2 ASP A 792 9.523 -13.793 -3.424 1.00 2.05 O ATOM 0 H ASP A 792 7.028 -12.439 -2.593 1.00 0.17 H new ATOM 0 HA ASP A 792 8.504 -9.968 -2.695 1.00 0.17 H new ATOM 0 HB2 ASP A 792 8.314 -12.134 -4.805 1.00 0.22 H new ATOM 0 HB3 ASP A 792 9.616 -10.987 -4.557 1.00 0.22 H new ATOM 285 N ASP A 793 6.257 -10.636 -5.055 1.00 0.17 N ATOM 286 CA ASP A 793 5.362 -10.015 -6.022 1.00 0.18 C ATOM 287 C ASP A 793 4.453 -9.017 -5.317 1.00 0.17 C ATOM 288 O ASP A 793 3.921 -8.095 -5.935 1.00 0.24 O ATOM 289 CB ASP A 793 4.523 -11.077 -6.734 1.00 0.19 C ATOM 290 CG ASP A 793 5.099 -11.458 -8.084 1.00 0.56 C ATOM 291 OD1 ASP A 793 5.181 -10.578 -8.965 1.00 1.07 O ATOM 292 OD2 ASP A 793 5.468 -12.638 -8.259 1.00 1.04 O ATOM 0 H ASP A 793 6.225 -11.655 -5.042 1.00 0.17 H new ATOM 0 HA ASP A 793 5.960 -9.491 -6.767 1.00 0.18 H new ATOM 0 HB2 ASP A 793 4.457 -11.966 -6.106 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.507 -10.705 -6.867 1.00 0.19 H new ATOM 297 N LEU A 794 4.299 -9.206 -4.010 1.00 0.14 N ATOM 298 CA LEU A 794 3.475 -8.320 -3.199 1.00 0.15 C ATOM 299 C LEU A 794 4.181 -6.990 -2.984 1.00 0.15 C ATOM 300 O LEU A 794 3.673 -5.933 -3.357 1.00 0.17 O ATOM 301 CB LEU A 794 3.177 -8.951 -1.835 1.00 0.19 C ATOM 302 CG LEU A 794 2.250 -8.130 -0.938 1.00 0.26 C ATOM 303 CD1 LEU A 794 0.933 -7.830 -1.644 1.00 0.93 C ATOM 304 CD2 LEU A 794 2.003 -8.851 0.378 1.00 0.70 C ATOM 0 H LEU A 794 4.736 -9.967 -3.490 1.00 0.14 H new ATOM 0 HA LEU A 794 2.538 -8.157 -3.732 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.730 -9.932 -1.994 1.00 0.19 H new ATOM 0 HB3 LEU A 794 4.119 -9.111 -1.311 1.00 0.19 H new ATOM 0 HG LEU A 794 2.740 -7.180 -0.723 1.00 0.26 H new ATOM 0 HD11 LEU A 794 0.292 -7.245 -0.985 1.00 0.93 H new ATOM 0 HD12 LEU A 794 1.129 -7.264 -2.555 1.00 0.93 H new ATOM 0 HD13 LEU A 794 0.435 -8.766 -1.898 1.00 0.93 H new ATOM 0 HD21 LEU A 794 1.341 -8.251 1.003 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.539 -9.818 0.182 1.00 0.70 H new ATOM 0 HD23 LEU A 794 2.951 -9.002 0.894 1.00 0.70 H new ATOM 316 N ILE A 795 5.352 -7.061 -2.363 1.00 0.19 N ATOM 317 CA ILE A 795 6.146 -5.877 -2.071 1.00 0.22 C ATOM 318 C ILE A 795 6.469 -5.082 -3.330 1.00 0.21 C ATOM 319 O ILE A 795 6.498 -3.857 -3.296 1.00 0.23 O ATOM 320 CB ILE A 795 7.451 -6.254 -1.345 1.00 0.26 C ATOM 321 CG1 ILE A 795 7.155 -6.694 0.094 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.441 -5.093 -1.359 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.428 -5.651 0.917 1.00 0.32 C ATOM 0 H ILE A 795 5.775 -7.935 -2.050 1.00 0.19 H new ATOM 0 HA ILE A 795 5.542 -5.246 -1.418 1.00 0.22 H new ATOM 0 HB ILE A 795 7.906 -7.089 -1.877 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.557 -7.605 0.069 1.00 0.30 H new ATOM 0 HG13 ILE A 795 8.094 -6.943 0.588 1.00 0.30 H new ATOM 0 HG21 ILE A 795 9.353 -5.387 -0.840 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.679 -4.830 -2.390 1.00 0.28 H new ATOM 0 HG23 ILE A 795 7.999 -4.232 -0.858 1.00 0.28 H new ATOM 0 HD11 ILE A 795 6.255 -6.036 1.922 1.00 0.32 H new ATOM 0 HD12 ILE A 795 7.033 -4.746 0.975 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.472 -5.419 0.448 1.00 0.32 H new ATOM 335 N MET A 796 6.712 -5.771 -4.438 1.00 0.23 N ATOM 336 CA MET A 796 7.032 -5.096 -5.693 1.00 0.26 C ATOM 337 C MET A 796 5.812 -4.365 -6.242 1.00 0.23 C ATOM 338 O MET A 796 5.926 -3.254 -6.761 1.00 0.22 O ATOM 339 CB MET A 796 7.549 -6.094 -6.732 1.00 0.36 C ATOM 340 CG MET A 796 8.626 -7.027 -6.206 1.00 0.46 C ATOM 341 SD MET A 796 9.532 -7.852 -7.531 1.00 0.67 S ATOM 342 CE MET A 796 11.204 -7.786 -6.893 1.00 1.53 C ATOM 0 H MET A 796 6.694 -6.789 -4.495 1.00 0.23 H new ATOM 0 HA MET A 796 7.815 -4.367 -5.487 1.00 0.26 H new ATOM 0 HB2 MET A 796 6.712 -6.690 -7.097 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.944 -5.543 -7.585 1.00 0.36 H new ATOM 0 HG2 MET A 796 9.325 -6.460 -5.591 1.00 0.46 H new ATOM 0 HG3 MET A 796 8.169 -7.777 -5.561 1.00 0.46 H new ATOM 0 HE1 MET A 796 11.883 -8.258 -7.603 1.00 1.53 H new ATOM 0 HE2 MET A 796 11.497 -6.746 -6.747 1.00 1.53 H new ATOM 0 HE3 MET A 796 11.251 -8.313 -5.940 1.00 1.53 H new ATOM 352 N ALA A 797 4.643 -4.987 -6.121 1.00 0.26 N ATOM 353 CA ALA A 797 3.408 -4.380 -6.599 1.00 0.30 C ATOM 354 C ALA A 797 3.096 -3.129 -5.793 1.00 0.28 C ATOM 355 O ALA A 797 2.856 -2.055 -6.348 1.00 0.30 O ATOM 356 CB ALA A 797 2.259 -5.373 -6.513 1.00 0.38 C ATOM 0 H ALA A 797 4.526 -5.908 -5.697 1.00 0.26 H new ATOM 0 HA ALA A 797 3.537 -4.098 -7.644 1.00 0.30 H new ATOM 0 HB1 ALA A 797 1.344 -4.903 -6.874 1.00 0.38 H new ATOM 0 HB2 ALA A 797 2.485 -6.245 -7.126 1.00 0.38 H new ATOM 0 HB3 ALA A 797 2.123 -5.683 -5.477 1.00 0.38 H new ATOM 362 N ILE A 798 3.121 -3.278 -4.474 1.00 0.27 N ATOM 363 CA ILE A 798 2.862 -2.170 -3.573 1.00 0.31 C ATOM 364 C ILE A 798 3.900 -1.071 -3.772 1.00 0.29 C ATOM 365 O ILE A 798 3.560 0.103 -3.901 1.00 0.33 O ATOM 366 CB ILE A 798 2.883 -2.632 -2.105 1.00 0.35 C ATOM 367 CG1 ILE A 798 1.639 -3.469 -1.794 1.00 0.40 C ATOM 368 CG2 ILE A 798 2.971 -1.434 -1.170 1.00 0.42 C ATOM 369 CD1 ILE A 798 1.831 -4.441 -0.651 1.00 0.50 C ATOM 0 H ILE A 798 3.320 -4.162 -4.006 1.00 0.27 H new ATOM 0 HA ILE A 798 1.870 -1.781 -3.803 1.00 0.31 H new ATOM 0 HB ILE A 798 3.765 -3.253 -1.948 1.00 0.35 H new ATOM 0 HG12 ILE A 798 0.812 -2.800 -1.556 1.00 0.40 H new ATOM 0 HG13 ILE A 798 1.353 -4.024 -2.687 1.00 0.40 H new ATOM 0 HG21 ILE A 798 2.985 -1.779 -0.136 1.00 0.42 H new ATOM 0 HG22 ILE A 798 3.884 -0.876 -1.378 1.00 0.42 H new ATOM 0 HG23 ILE A 798 2.107 -0.787 -1.325 1.00 0.42 H new ATOM 0 HD11 ILE A 798 0.909 -4.999 -0.489 1.00 0.50 H new ATOM 0 HD12 ILE A 798 2.636 -5.134 -0.894 1.00 0.50 H new ATOM 0 HD13 ILE A 798 2.087 -3.891 0.255 1.00 0.50 H new ATOM 381 N ASN A 799 5.168 -1.471 -3.796 1.00 0.25 N ATOM 382 CA ASN A 799 6.269 -0.532 -3.977 1.00 0.29 C ATOM 383 C ASN A 799 6.097 0.268 -5.262 1.00 0.27 C ATOM 384 O ASN A 799 6.459 1.442 -5.325 1.00 0.36 O ATOM 385 CB ASN A 799 7.605 -1.272 -4.007 1.00 0.30 C ATOM 386 CG ASN A 799 8.678 -0.563 -3.206 1.00 0.38 C ATOM 387 OD1 ASN A 799 9.442 0.238 -3.743 1.00 0.81 O ATOM 388 ND2 ASN A 799 8.740 -0.856 -1.913 1.00 0.78 N ATOM 0 H ASN A 799 5.459 -2.443 -3.692 1.00 0.25 H new ATOM 0 HA ASN A 799 6.261 0.157 -3.133 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.468 -2.279 -3.613 1.00 0.30 H new ATOM 0 HB3 ASN A 799 7.936 -1.376 -5.040 1.00 0.30 H new ATOM 0 HD21 ASN A 799 9.442 -0.410 -1.322 1.00 0.78 H new ATOM 0 HD22 ASN A 799 8.086 -1.527 -1.510 1.00 0.78 H new ATOM 395 N SER A 800 5.546 -0.374 -6.284 1.00 0.22 N ATOM 396 CA SER A 800 5.327 0.281 -7.567 1.00 0.25 C ATOM 397 C SER A 800 4.175 1.276 -7.475 1.00 0.28 C ATOM 398 O SER A 800 4.095 2.222 -8.256 1.00 0.33 O ATOM 399 CB SER A 800 5.037 -0.758 -8.653 1.00 0.28 C ATOM 400 OG SER A 800 4.148 -0.244 -9.631 1.00 0.98 O ATOM 0 H SER A 800 5.243 -1.347 -6.250 1.00 0.22 H new ATOM 0 HA SER A 800 6.234 0.824 -7.831 1.00 0.25 H new ATOM 0 HB2 SER A 800 5.970 -1.060 -9.129 1.00 0.28 H new ATOM 0 HB3 SER A 800 4.606 -1.651 -8.200 1.00 0.28 H new ATOM 0 HG SER A 800 3.981 -0.928 -10.313 1.00 0.98 H new ATOM 406 N LYS A 801 3.283 1.051 -6.513 1.00 0.30 N ATOM 407 CA LYS A 801 2.133 1.928 -6.321 1.00 0.37 C ATOM 408 C LYS A 801 2.375 2.926 -5.189 1.00 0.40 C ATOM 409 O LYS A 801 1.528 3.775 -4.911 1.00 0.49 O ATOM 410 CB LYS A 801 0.881 1.100 -6.027 1.00 0.42 C ATOM 411 CG LYS A 801 -0.289 1.423 -6.943 1.00 0.67 C ATOM 412 CD LYS A 801 -0.252 0.587 -8.212 1.00 1.05 C ATOM 413 CE LYS A 801 0.021 1.443 -9.439 1.00 1.43 C ATOM 414 NZ LYS A 801 -1.238 1.910 -10.083 1.00 2.25 N ATOM 0 H LYS A 801 3.335 0.272 -5.857 1.00 0.30 H new ATOM 0 HA LYS A 801 1.986 2.491 -7.243 1.00 0.37 H new ATOM 0 HB2 LYS A 801 1.125 0.042 -6.121 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.579 1.267 -4.993 1.00 0.42 H new ATOM 0 HG2 LYS A 801 -1.226 1.243 -6.415 1.00 0.67 H new ATOM 0 HG3 LYS A 801 -0.267 2.481 -7.203 1.00 0.67 H new ATOM 0 HD2 LYS A 801 0.520 -0.178 -8.122 1.00 1.05 H new ATOM 0 HD3 LYS A 801 -1.203 0.068 -8.334 1.00 1.05 H new ATOM 0 HE2 LYS A 801 0.624 2.305 -9.153 1.00 1.43 H new ATOM 0 HE3 LYS A 801 0.606 0.870 -10.159 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 -1.008 2.490 -10.915 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 -1.802 1.088 -10.379 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 -1.784 2.479 -9.405 1.00 2.25 H new ATOM 428 N ILE A 802 3.533 2.823 -4.539 1.00 0.39 N ATOM 429 CA ILE A 802 3.870 3.725 -3.440 1.00 0.45 C ATOM 430 C ILE A 802 5.084 4.587 -3.775 1.00 0.50 C ATOM 431 O ILE A 802 5.274 5.658 -3.197 1.00 0.60 O ATOM 432 CB ILE A 802 4.153 2.950 -2.136 1.00 0.47 C ATOM 433 CG1 ILE A 802 5.411 2.099 -2.280 1.00 0.42 C ATOM 434 CG2 ILE A 802 2.958 2.087 -1.760 1.00 0.49 C ATOM 435 CD1 ILE A 802 6.563 2.573 -1.421 1.00 0.75 C ATOM 0 H ILE A 802 4.249 2.129 -4.753 1.00 0.39 H new ATOM 0 HA ILE A 802 3.002 4.368 -3.293 1.00 0.45 H new ATOM 0 HB ILE A 802 4.320 3.670 -1.335 1.00 0.47 H new ATOM 0 HG12 ILE A 802 5.174 1.068 -2.019 1.00 0.42 H new ATOM 0 HG13 ILE A 802 5.723 2.100 -3.324 1.00 0.42 H new ATOM 0 HG21 ILE A 802 3.175 1.547 -0.838 1.00 0.49 H new ATOM 0 HG22 ILE A 802 2.084 2.721 -1.613 1.00 0.49 H new ATOM 0 HG23 ILE A 802 2.758 1.374 -2.560 1.00 0.49 H new ATOM 0 HD11 ILE A 802 7.423 1.922 -1.574 1.00 0.75 H new ATOM 0 HD12 ILE A 802 6.827 3.594 -1.697 1.00 0.75 H new ATOM 0 HD13 ILE A 802 6.270 2.546 -0.372 1.00 0.75 H new ATOM 447 N SER A 803 5.905 4.113 -4.707 1.00 0.45 N ATOM 448 CA SER A 803 7.102 4.842 -5.112 1.00 0.53 C ATOM 449 C SER A 803 7.412 4.603 -6.587 1.00 0.61 C ATOM 450 O SER A 803 8.190 3.713 -6.934 1.00 1.19 O ATOM 451 CB SER A 803 8.295 4.420 -4.251 1.00 0.60 C ATOM 452 OG SER A 803 8.488 3.017 -4.298 1.00 1.53 O ATOM 0 H SER A 803 5.764 3.229 -5.195 1.00 0.45 H new ATOM 0 HA SER A 803 6.917 5.906 -4.968 1.00 0.53 H new ATOM 0 HB2 SER A 803 9.196 4.926 -4.599 1.00 0.60 H new ATOM 0 HB3 SER A 803 8.132 4.733 -3.220 1.00 0.60 H new ATOM 0 HG SER A 803 7.761 2.604 -4.809 1.00 1.53 H new ATOM 458 N ASN A 804 6.800 5.405 -7.450 1.00 0.84 N ATOM 459 CA ASN A 804 7.009 5.284 -8.889 1.00 0.93 C ATOM 460 C ASN A 804 6.764 6.617 -9.587 1.00 1.53 C ATOM 461 O ASN A 804 5.675 7.185 -9.492 1.00 2.42 O ATOM 462 CB ASN A 804 6.087 4.211 -9.470 1.00 1.40 C ATOM 463 CG ASN A 804 6.546 3.730 -10.833 1.00 2.04 C ATOM 464 OD1 ASN A 804 7.630 3.163 -10.970 1.00 2.43 O ATOM 465 ND2 ASN A 804 5.721 3.956 -11.849 1.00 2.83 N ATOM 0 H ASN A 804 6.154 6.147 -7.179 1.00 0.84 H new ATOM 0 HA ASN A 804 8.045 4.992 -9.059 1.00 0.93 H new ATOM 0 HB2 ASN A 804 6.043 3.364 -8.785 1.00 1.40 H new ATOM 0 HB3 ASN A 804 5.076 4.610 -9.550 1.00 1.40 H new ATOM 0 HD21 ASN A 804 5.976 3.656 -12.790 1.00 2.83 H new ATOM 0 HD22 ASN A 804 4.832 4.430 -11.688 1.00 2.83 H new ATOM 472 N THR A 805 7.781 7.107 -10.288 1.00 1.86 N ATOM 473 CA THR A 805 7.682 8.374 -11.004 1.00 2.72 C ATOM 474 C THR A 805 7.260 9.503 -10.068 1.00 3.19 C ATOM 475 O THR A 805 6.094 9.901 -10.045 1.00 3.83 O ATOM 476 CB THR A 805 6.681 8.283 -12.174 1.00 3.49 C ATOM 477 OG1 THR A 805 6.668 6.952 -12.705 1.00 3.73 O ATOM 478 CG2 THR A 805 7.043 9.268 -13.275 1.00 4.20 C ATOM 0 H THR A 805 8.686 6.644 -10.376 1.00 1.86 H new ATOM 0 HA THR A 805 8.673 8.591 -11.403 1.00 2.72 H new ATOM 0 HB THR A 805 5.690 8.534 -11.795 1.00 3.49 H new ATOM 0 HG1 THR A 805 6.029 6.902 -13.446 1.00 3.73 H new ATOM 0 HG21 THR A 805 6.323 9.185 -14.089 1.00 4.20 H new ATOM 0 HG22 THR A 805 7.025 10.282 -12.876 1.00 4.20 H new ATOM 0 HG23 THR A 805 8.042 9.044 -13.650 1.00 4.20 H new ATOM 486 N HIS A 806 8.221 10.014 -9.301 1.00 3.41 N ATOM 487 CA HIS A 806 7.972 11.101 -8.356 1.00 4.17 C ATOM 488 C HIS A 806 6.972 10.685 -7.280 1.00 4.02 C ATOM 489 O HIS A 806 7.361 10.296 -6.178 1.00 4.30 O ATOM 490 CB HIS A 806 7.465 12.345 -9.089 1.00 5.13 C ATOM 491 CG HIS A 806 8.520 13.386 -9.299 1.00 6.08 C ATOM 492 ND1 HIS A 806 9.551 13.606 -8.408 1.00 6.75 N ATOM 493 CD2 HIS A 806 8.704 14.271 -10.308 1.00 6.77 C ATOM 494 CE1 HIS A 806 10.321 14.580 -8.858 1.00 7.67 C ATOM 495 NE2 HIS A 806 9.828 15.000 -10.009 1.00 7.69 N ATOM 0 H HIS A 806 9.188 9.689 -9.316 1.00 3.41 H new ATOM 0 HA HIS A 806 8.918 11.337 -7.868 1.00 4.17 H new ATOM 0 HB2 HIS A 806 7.062 12.047 -10.057 1.00 5.13 H new ATOM 0 HB3 HIS A 806 6.643 12.781 -8.522 1.00 5.13 H new ATOM 0 HD2 HIS A 806 8.082 14.382 -11.184 1.00 6.77 H new ATOM 0 HE1 HIS A 806 11.203 14.967 -8.369 1.00 7.67 H new ATOM 0 HE2 HIS A 806 10.220 15.746 -10.584 1.00 7.69 H new ATOM 504 N ASN A 807 5.683 10.780 -7.604 1.00 4.10 N ATOM 505 CA ASN A 807 4.622 10.422 -6.667 1.00 4.41 C ATOM 506 C ASN A 807 4.638 11.342 -5.452 1.00 4.33 C ATOM 507 O ASN A 807 5.476 12.238 -5.348 1.00 4.37 O ATOM 508 CB ASN A 807 4.762 8.964 -6.221 1.00 4.84 C ATOM 509 CG ASN A 807 3.568 8.121 -6.621 1.00 5.63 C ATOM 510 OD1 ASN A 807 2.931 7.487 -5.781 1.00 6.02 O ATOM 511 ND2 ASN A 807 3.258 8.111 -7.913 1.00 6.22 N ATOM 0 H ASN A 807 5.349 11.103 -8.512 1.00 4.10 H new ATOM 0 HA ASN A 807 3.668 10.541 -7.181 1.00 4.41 H new ATOM 0 HB2 ASN A 807 5.666 8.539 -6.657 1.00 4.84 H new ATOM 0 HB3 ASN A 807 4.883 8.928 -5.138 1.00 4.84 H new ATOM 0 HD21 ASN A 807 2.464 7.562 -8.243 1.00 6.22 H new ATOM 0 HD22 ASN A 807 3.814 8.652 -8.575 1.00 6.22 H new ATOM 518 N ASN A 808 3.704 11.115 -4.535 1.00 4.61 N ATOM 519 CA ASN A 808 3.608 11.923 -3.325 1.00 4.89 C ATOM 520 C ASN A 808 4.511 11.371 -2.228 1.00 4.54 C ATOM 521 O ASN A 808 5.138 12.128 -1.487 1.00 4.85 O ATOM 522 CB ASN A 808 2.160 11.973 -2.834 1.00 5.45 C ATOM 523 CG ASN A 808 1.313 12.942 -3.634 1.00 6.15 C ATOM 524 OD1 ASN A 808 1.503 13.102 -4.840 1.00 6.37 O ATOM 525 ND2 ASN A 808 0.370 13.597 -2.966 1.00 6.83 N ATOM 0 H ASN A 808 3.003 10.378 -4.607 1.00 4.61 H new ATOM 0 HA ASN A 808 3.938 12.934 -3.566 1.00 4.89 H new ATOM 0 HB2 ASN A 808 1.723 10.976 -2.896 1.00 5.45 H new ATOM 0 HB3 ASN A 808 2.145 12.263 -1.783 1.00 5.45 H new ATOM 0 HD21 ASN A 808 -0.231 14.263 -3.452 1.00 6.83 H new ATOM 0 HD22 ASN A 808 0.246 13.434 -1.967 1.00 6.83 H new ATOM 532 N ASN A 809 4.572 10.047 -2.132 1.00 4.24 N ATOM 533 CA ASN A 809 5.397 9.390 -1.126 1.00 4.01 C ATOM 534 C ASN A 809 6.878 9.516 -1.467 1.00 3.02 C ATOM 535 O ASN A 809 7.243 9.744 -2.621 1.00 3.13 O ATOM 536 CB ASN A 809 5.014 7.915 -1.010 1.00 4.74 C ATOM 537 CG ASN A 809 3.517 7.715 -0.855 1.00 5.63 C ATOM 538 OD1 ASN A 809 2.928 6.841 -1.490 1.00 5.91 O ATOM 539 ND2 ASN A 809 2.896 8.528 -0.008 1.00 6.41 N ATOM 0 H ASN A 809 4.059 9.408 -2.739 1.00 4.24 H new ATOM 0 HA ASN A 809 5.221 9.883 -0.170 1.00 4.01 H new ATOM 0 HB2 ASN A 809 5.359 7.382 -1.896 1.00 4.74 H new ATOM 0 HB3 ASN A 809 5.527 7.476 -0.154 1.00 4.74 H new ATOM 0 HD21 ASN A 809 1.890 8.442 0.137 1.00 6.41 H new ATOM 0 HD22 ASN A 809 3.425 9.239 0.497 1.00 6.41 H new ATOM 546 N ILE A 810 7.727 9.366 -0.455 1.00 2.60 N ATOM 547 CA ILE A 810 9.171 9.460 -0.644 1.00 2.14 C ATOM 548 C ILE A 810 9.872 8.202 -0.148 1.00 1.67 C ATOM 549 O ILE A 810 9.608 7.732 0.959 1.00 2.29 O ATOM 550 CB ILE A 810 9.758 10.682 0.091 1.00 3.00 C ATOM 551 CG1 ILE A 810 9.049 10.892 1.430 1.00 3.79 C ATOM 552 CG2 ILE A 810 9.645 11.927 -0.775 1.00 3.71 C ATOM 553 CD1 ILE A 810 9.975 11.332 2.542 1.00 4.78 C ATOM 0 H ILE A 810 7.440 9.179 0.506 1.00 2.60 H new ATOM 0 HA ILE A 810 9.342 9.573 -1.715 1.00 2.14 H new ATOM 0 HB ILE A 810 10.814 10.494 0.287 1.00 3.00 H new ATOM 0 HG12 ILE A 810 8.266 11.639 1.304 1.00 3.79 H new ATOM 0 HG13 ILE A 810 8.559 9.963 1.722 1.00 3.79 H new ATOM 0 HG21 ILE A 810 10.064 12.780 -0.242 1.00 3.71 H new ATOM 0 HG22 ILE A 810 10.194 11.775 -1.704 1.00 3.71 H new ATOM 0 HG23 ILE A 810 8.596 12.119 -1.001 1.00 3.71 H new ATOM 0 HD11 ILE A 810 9.404 11.461 3.461 1.00 4.78 H new ATOM 0 HD12 ILE A 810 10.744 10.575 2.696 1.00 4.78 H new ATOM 0 HD13 ILE A 810 10.445 12.277 2.271 1.00 4.78 H new ATOM 565 N SER A 811 10.768 7.666 -0.976 1.00 1.31 N ATOM 566 CA SER A 811 11.519 6.460 -0.635 1.00 0.97 C ATOM 567 C SER A 811 10.594 5.248 -0.499 1.00 0.83 C ATOM 568 O SER A 811 9.468 5.367 -0.017 1.00 0.94 O ATOM 569 CB SER A 811 12.306 6.667 0.664 1.00 1.31 C ATOM 570 OG SER A 811 12.816 5.439 1.154 1.00 1.80 O ATOM 0 H SER A 811 10.992 8.052 -1.893 1.00 1.31 H new ATOM 0 HA SER A 811 12.219 6.265 -1.448 1.00 0.97 H new ATOM 0 HB2 SER A 811 13.128 7.361 0.488 1.00 1.31 H new ATOM 0 HB3 SER A 811 11.660 7.122 1.415 1.00 1.31 H new ATOM 0 HG SER A 811 13.315 5.599 1.982 1.00 1.80 H new ATOM 576 N PRO A 812 11.059 4.060 -0.927 1.00 0.70 N ATOM 577 CA PRO A 812 10.265 2.830 -0.848 1.00 0.66 C ATOM 578 C PRO A 812 10.167 2.292 0.576 1.00 0.62 C ATOM 579 O PRO A 812 10.610 2.939 1.526 1.00 0.73 O ATOM 580 CB PRO A 812 11.039 1.857 -1.735 1.00 0.70 C ATOM 581 CG PRO A 812 12.452 2.323 -1.663 1.00 0.95 C ATOM 582 CD PRO A 812 12.391 3.820 -1.518 1.00 0.77 C ATOM 0 HA PRO A 812 9.233 2.988 -1.161 1.00 0.66 H new ATOM 0 HB2 PRO A 812 10.941 0.832 -1.378 1.00 0.70 H new ATOM 0 HB3 PRO A 812 10.668 1.874 -2.760 1.00 0.70 H new ATOM 0 HG2 PRO A 812 12.969 1.870 -0.817 1.00 0.95 H new ATOM 0 HG3 PRO A 812 13.002 2.040 -2.561 1.00 0.95 H new ATOM 0 HD2 PRO A 812 13.188 4.193 -0.874 1.00 0.77 H new ATOM 0 HD3 PRO A 812 12.498 4.320 -2.480 1.00 0.77 H new ATOM 590 N ILE A 813 9.585 1.105 0.718 1.00 0.62 N ATOM 591 CA ILE A 813 9.428 0.479 2.027 1.00 0.61 C ATOM 592 C ILE A 813 9.533 -1.038 1.925 1.00 0.59 C ATOM 593 O ILE A 813 9.565 -1.597 0.828 1.00 0.75 O ATOM 594 CB ILE A 813 8.079 0.847 2.672 1.00 0.70 C ATOM 595 CG1 ILE A 813 6.966 0.833 1.619 1.00 1.22 C ATOM 596 CG2 ILE A 813 8.166 2.209 3.346 1.00 1.05 C ATOM 597 CD1 ILE A 813 5.572 0.905 2.207 1.00 1.94 C ATOM 0 H ILE A 813 9.214 0.557 -0.058 1.00 0.62 H new ATOM 0 HA ILE A 813 10.235 0.857 2.655 1.00 0.61 H new ATOM 0 HB ILE A 813 7.842 0.104 3.434 1.00 0.70 H new ATOM 0 HG12 ILE A 813 7.109 1.674 0.941 1.00 1.22 H new ATOM 0 HG13 ILE A 813 7.053 -0.075 1.023 1.00 1.22 H new ATOM 0 HG21 ILE A 813 7.204 2.454 3.797 1.00 1.05 H new ATOM 0 HG22 ILE A 813 8.933 2.184 4.120 1.00 1.05 H new ATOM 0 HG23 ILE A 813 8.423 2.966 2.605 1.00 1.05 H new ATOM 0 HD11 ILE A 813 4.837 0.891 1.403 1.00 1.94 H new ATOM 0 HD12 ILE A 813 5.409 0.050 2.863 1.00 1.94 H new ATOM 0 HD13 ILE A 813 5.466 1.827 2.779 1.00 1.94 H new ATOM 609 N THR A 814 9.584 -1.702 3.077 1.00 0.49 N ATOM 610 CA THR A 814 9.686 -3.155 3.116 1.00 0.49 C ATOM 611 C THR A 814 8.620 -3.757 4.027 1.00 0.47 C ATOM 612 O THR A 814 7.708 -4.440 3.562 1.00 0.54 O ATOM 613 CB THR A 814 11.076 -3.607 3.601 1.00 0.53 C ATOM 614 OG1 THR A 814 11.440 -2.888 4.786 1.00 1.16 O ATOM 615 CG2 THR A 814 12.127 -3.378 2.523 1.00 1.07 C ATOM 0 H THR A 814 9.556 -1.256 3.994 1.00 0.49 H new ATOM 0 HA THR A 814 9.532 -3.511 2.097 1.00 0.49 H new ATOM 0 HB THR A 814 11.029 -4.673 3.822 1.00 0.53 H new ATOM 0 HG1 THR A 814 12.324 -3.183 5.089 1.00 1.16 H new ATOM 0 HG21 THR A 814 13.100 -3.705 2.889 1.00 1.07 H new ATOM 0 HG22 THR A 814 11.864 -3.948 1.632 1.00 1.07 H new ATOM 0 HG23 THR A 814 12.170 -2.317 2.276 1.00 1.07 H new ATOM 623 N LYS A 815 8.740 -3.496 5.325 1.00 0.42 N ATOM 624 CA LYS A 815 7.784 -4.010 6.299 1.00 0.42 C ATOM 625 C LYS A 815 6.557 -3.107 6.380 1.00 0.40 C ATOM 626 O LYS A 815 6.675 -1.883 6.373 1.00 0.48 O ATOM 627 CB LYS A 815 8.438 -4.125 7.677 1.00 0.49 C ATOM 628 CG LYS A 815 8.622 -5.559 8.145 1.00 0.89 C ATOM 629 CD LYS A 815 10.071 -6.003 8.023 1.00 1.30 C ATOM 630 CE LYS A 815 10.323 -7.298 8.779 1.00 1.97 C ATOM 631 NZ LYS A 815 11.380 -8.124 8.131 1.00 2.69 N ATOM 0 H LYS A 815 9.489 -2.932 5.726 1.00 0.42 H new ATOM 0 HA LYS A 815 7.466 -5.000 5.973 1.00 0.42 H new ATOM 0 HB2 LYS A 815 9.410 -3.633 7.651 1.00 0.49 H new ATOM 0 HB3 LYS A 815 7.829 -3.589 8.405 1.00 0.49 H new ATOM 0 HG2 LYS A 815 8.299 -5.649 9.182 1.00 0.89 H new ATOM 0 HG3 LYS A 815 7.987 -6.220 7.555 1.00 0.89 H new ATOM 0 HD2 LYS A 815 10.323 -6.139 6.971 1.00 1.30 H new ATOM 0 HD3 LYS A 815 10.726 -5.222 8.409 1.00 1.30 H new ATOM 0 HE2 LYS A 815 10.618 -7.069 9.803 1.00 1.97 H new ATOM 0 HE3 LYS A 815 9.398 -7.871 8.835 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 11.521 -8.998 8.677 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 11.087 -8.365 7.162 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 12.270 -7.587 8.100 1.00 2.69 H new ATOM 645 N ILE A 816 5.379 -3.719 6.450 1.00 0.36 N ATOM 646 CA ILE A 816 4.132 -2.967 6.526 1.00 0.38 C ATOM 647 C ILE A 816 3.046 -3.752 7.257 1.00 0.33 C ATOM 648 O ILE A 816 3.281 -4.863 7.733 1.00 0.37 O ATOM 649 CB ILE A 816 3.615 -2.583 5.125 1.00 0.41 C ATOM 650 CG1 ILE A 816 4.132 -3.567 4.073 1.00 0.59 C ATOM 651 CG2 ILE A 816 4.030 -1.163 4.777 1.00 0.84 C ATOM 652 CD1 ILE A 816 3.263 -4.795 3.911 1.00 0.53 C ATOM 0 H ILE A 816 5.262 -4.732 6.456 1.00 0.36 H new ATOM 0 HA ILE A 816 4.355 -2.059 7.086 1.00 0.38 H new ATOM 0 HB ILE A 816 2.526 -2.632 5.134 1.00 0.41 H new ATOM 0 HG12 ILE A 816 4.205 -3.055 3.114 1.00 0.59 H new ATOM 0 HG13 ILE A 816 5.140 -3.879 4.345 1.00 0.59 H new ATOM 0 HG21 ILE A 816 3.657 -0.908 3.785 1.00 0.84 H new ATOM 0 HG22 ILE A 816 3.613 -0.472 5.510 1.00 0.84 H new ATOM 0 HG23 ILE A 816 5.117 -1.089 4.786 1.00 0.84 H new ATOM 0 HD11 ILE A 816 3.692 -5.446 3.149 1.00 0.53 H new ATOM 0 HD12 ILE A 816 3.210 -5.331 4.859 1.00 0.53 H new ATOM 0 HD13 ILE A 816 2.260 -4.494 3.608 1.00 0.53 H new ATOM 664 N LYS A 817 1.860 -3.159 7.342 1.00 0.32 N ATOM 665 CA LYS A 817 0.727 -3.788 8.013 1.00 0.31 C ATOM 666 C LYS A 817 -0.438 -3.973 7.045 1.00 0.32 C ATOM 667 O LYS A 817 -0.558 -3.244 6.060 1.00 0.59 O ATOM 668 CB LYS A 817 0.285 -2.935 9.203 1.00 0.37 C ATOM 669 CG LYS A 817 1.348 -2.793 10.281 1.00 0.39 C ATOM 670 CD LYS A 817 0.939 -3.499 11.561 1.00 0.38 C ATOM 671 CE LYS A 817 1.706 -2.969 12.762 1.00 0.50 C ATOM 672 NZ LYS A 817 0.806 -2.680 13.911 1.00 0.85 N ATOM 0 H LYS A 817 1.657 -2.238 6.952 1.00 0.32 H new ATOM 0 HA LYS A 817 1.039 -4.769 8.371 1.00 0.31 H new ATOM 0 HB2 LYS A 817 0.008 -1.943 8.845 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.609 -3.376 9.643 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.290 -3.206 9.921 1.00 0.39 H new ATOM 0 HG3 LYS A 817 1.521 -1.737 10.486 1.00 0.39 H new ATOM 0 HD2 LYS A 817 -0.131 -3.367 11.724 1.00 0.38 H new ATOM 0 HD3 LYS A 817 1.116 -4.570 11.459 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.457 -3.699 13.064 1.00 0.50 H new ATOM 0 HE3 LYS A 817 2.239 -2.061 12.481 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 1.367 -2.321 14.710 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 0.105 -1.965 13.631 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 0.316 -3.552 14.196 1.00 0.85 H new ATOM 686 N TYR A 818 -1.299 -4.947 7.332 1.00 0.23 N ATOM 687 CA TYR A 818 -2.456 -5.217 6.486 1.00 0.22 C ATOM 688 C TYR A 818 -3.706 -5.459 7.325 1.00 0.23 C ATOM 689 O TYR A 818 -3.640 -5.510 8.552 1.00 0.31 O ATOM 690 CB TYR A 818 -2.187 -6.414 5.565 1.00 0.26 C ATOM 691 CG TYR A 818 -2.110 -7.748 6.278 1.00 0.30 C ATOM 692 CD1 TYR A 818 -1.093 -8.011 7.186 1.00 0.46 C ATOM 693 CD2 TYR A 818 -3.060 -8.737 6.051 1.00 0.41 C ATOM 694 CE1 TYR A 818 -1.023 -9.222 7.848 1.00 0.58 C ATOM 695 CE2 TYR A 818 -2.996 -9.950 6.710 1.00 0.51 C ATOM 696 CZ TYR A 818 -1.965 -10.209 7.564 1.00 0.56 C ATOM 697 OH TYR A 818 -1.909 -11.395 8.265 1.00 0.71 O ATOM 0 H TYR A 818 -1.216 -5.561 8.143 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.630 -4.337 5.867 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -2.975 -6.463 4.813 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.250 -6.245 5.034 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -0.344 -7.257 7.378 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -3.860 -8.555 5.349 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -0.247 -9.402 8.577 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -3.763 -10.693 6.549 1.00 0.51 H new ATOM 0 HH TYR A 818 -2.810 -11.644 8.560 1.00 0.71 H new ATOM 707 N GLN A 819 -4.846 -5.599 6.654 1.00 0.27 N ATOM 708 CA GLN A 819 -6.114 -5.825 7.328 1.00 0.34 C ATOM 709 C GLN A 819 -6.449 -7.309 7.379 1.00 0.40 C ATOM 710 O GLN A 819 -6.813 -7.910 6.368 1.00 0.45 O ATOM 711 CB GLN A 819 -7.235 -5.062 6.617 1.00 0.44 C ATOM 712 CG GLN A 819 -8.526 -4.991 7.414 1.00 0.56 C ATOM 713 CD GLN A 819 -9.732 -5.439 6.612 1.00 1.14 C ATOM 714 OE1 GLN A 819 -9.882 -5.080 5.443 1.00 1.91 O ATOM 715 NE2 GLN A 819 -10.599 -6.226 7.235 1.00 1.44 N ATOM 0 H GLN A 819 -4.914 -5.559 5.637 1.00 0.27 H new ATOM 0 HA GLN A 819 -6.023 -5.458 8.350 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -6.894 -4.049 6.403 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.436 -5.540 5.658 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -8.434 -5.614 8.304 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.682 -3.968 7.756 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -10.435 -6.499 8.204 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -11.430 -6.558 6.745 1.00 1.44 H new ATOM 724 N ASP A 820 -6.318 -7.889 8.562 1.00 0.43 N ATOM 725 CA ASP A 820 -6.603 -9.308 8.755 1.00 0.53 C ATOM 726 C ASP A 820 -8.106 -9.552 8.870 1.00 0.62 C ATOM 727 O ASP A 820 -8.896 -8.608 8.922 1.00 0.65 O ATOM 728 CB ASP A 820 -5.898 -9.825 10.010 1.00 0.58 C ATOM 729 CG ASP A 820 -5.555 -11.298 9.914 1.00 1.13 C ATOM 730 OD1 ASP A 820 -4.904 -11.692 8.923 1.00 1.80 O ATOM 731 OD2 ASP A 820 -5.934 -12.057 10.829 1.00 1.34 O ATOM 0 H ASP A 820 -6.016 -7.401 9.405 1.00 0.43 H new ATOM 0 HA ASP A 820 -6.229 -9.848 7.885 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -4.985 -9.252 10.173 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -6.537 -9.659 10.877 1.00 0.58 H new ATOM 736 N GLU A 821 -8.494 -10.825 8.910 1.00 0.71 N ATOM 737 CA GLU A 821 -9.903 -11.197 9.019 1.00 0.82 C ATOM 738 C GLU A 821 -10.398 -11.068 10.457 1.00 0.83 C ATOM 739 O GLU A 821 -11.253 -11.836 10.901 1.00 0.97 O ATOM 740 CB GLU A 821 -10.114 -12.630 8.523 1.00 0.96 C ATOM 741 CG GLU A 821 -9.203 -13.648 9.189 1.00 1.10 C ATOM 742 CD GLU A 821 -9.822 -15.029 9.254 1.00 1.30 C ATOM 743 OE1 GLU A 821 -10.157 -15.581 8.185 1.00 1.62 O ATOM 744 OE2 GLU A 821 -9.972 -15.560 10.376 1.00 1.53 O ATOM 0 H GLU A 821 -7.852 -11.617 8.869 1.00 0.71 H new ATOM 0 HA GLU A 821 -10.479 -10.513 8.396 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -11.151 -12.916 8.696 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -9.951 -12.660 7.446 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -8.262 -13.701 8.641 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -8.966 -13.312 10.199 1.00 1.10 H new ATOM 751 N ASP A 822 -9.859 -10.088 11.179 1.00 0.79 N ATOM 752 CA ASP A 822 -10.249 -9.855 12.564 1.00 0.81 C ATOM 753 C ASP A 822 -10.619 -8.391 12.777 1.00 0.73 C ATOM 754 O ASP A 822 -10.818 -7.947 13.908 1.00 0.78 O ATOM 755 CB ASP A 822 -9.113 -10.247 13.510 1.00 0.86 C ATOM 756 CG ASP A 822 -9.214 -11.689 13.970 1.00 1.20 C ATOM 757 OD1 ASP A 822 -10.309 -12.094 14.415 1.00 1.65 O ATOM 758 OD2 ASP A 822 -8.201 -12.412 13.884 1.00 1.56 O ATOM 0 H ASP A 822 -9.151 -9.444 10.826 1.00 0.79 H new ATOM 0 HA ASP A 822 -11.120 -10.472 12.782 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -8.157 -10.095 13.008 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -9.125 -9.590 14.379 1.00 0.86 H new ATOM 763 N GLY A 823 -10.706 -7.645 11.678 1.00 0.68 N ATOM 764 CA GLY A 823 -11.050 -6.238 11.759 1.00 0.70 C ATOM 765 C GLY A 823 -10.004 -5.429 12.500 1.00 0.67 C ATOM 766 O GLY A 823 -10.328 -4.689 13.429 1.00 0.88 O ATOM 0 H GLY A 823 -10.544 -7.992 10.733 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -11.169 -5.837 10.752 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -12.012 -6.130 12.261 1.00 0.70 H new ATOM 770 N ASP A 824 -8.747 -5.568 12.084 1.00 0.54 N ATOM 771 CA ASP A 824 -7.648 -4.850 12.709 1.00 0.57 C ATOM 772 C ASP A 824 -6.343 -5.122 11.973 1.00 0.55 C ATOM 773 O ASP A 824 -6.083 -6.243 11.528 1.00 0.93 O ATOM 774 CB ASP A 824 -7.511 -5.249 14.181 1.00 0.65 C ATOM 775 CG ASP A 824 -7.032 -6.677 14.352 1.00 1.15 C ATOM 776 OD1 ASP A 824 -7.473 -7.549 13.574 1.00 1.86 O ATOM 777 OD2 ASP A 824 -6.219 -6.925 15.267 1.00 1.48 O ATOM 0 H ASP A 824 -8.468 -6.175 11.313 1.00 0.54 H new ATOM 0 HA ASP A 824 -7.866 -3.783 12.654 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -6.812 -4.573 14.674 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -8.474 -5.130 14.678 1.00 0.65 H new ATOM 782 N PHE A 825 -5.531 -4.085 11.845 1.00 0.42 N ATOM 783 CA PHE A 825 -4.246 -4.193 11.166 1.00 0.37 C ATOM 784 C PHE A 825 -3.294 -5.088 11.951 1.00 0.38 C ATOM 785 O PHE A 825 -3.312 -5.101 13.182 1.00 0.44 O ATOM 786 CB PHE A 825 -3.625 -2.807 10.981 1.00 0.39 C ATOM 787 CG PHE A 825 -4.357 -1.946 9.991 1.00 0.41 C ATOM 788 CD1 PHE A 825 -4.408 -2.299 8.652 1.00 0.38 C ATOM 789 CD2 PHE A 825 -4.995 -0.787 10.401 1.00 0.59 C ATOM 790 CE1 PHE A 825 -5.083 -1.510 7.740 1.00 0.43 C ATOM 791 CE2 PHE A 825 -5.671 0.006 9.493 1.00 0.64 C ATOM 792 CZ PHE A 825 -5.715 -0.355 8.161 1.00 0.52 C ATOM 0 H PHE A 825 -5.739 -3.153 12.204 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.415 -4.640 10.187 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.601 -2.298 11.944 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.591 -2.922 10.655 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -3.915 -3.200 8.318 1.00 0.38 H new ATOM 0 HD2 PHE A 825 -4.964 -0.500 11.442 1.00 0.59 H new ATOM 0 HE1 PHE A 825 -5.117 -1.796 6.699 1.00 0.43 H new ATOM 0 HE2 PHE A 825 -6.164 0.907 9.825 1.00 0.64 H new ATOM 0 HZ PHE A 825 -6.242 0.264 7.450 1.00 0.52 H new ATOM 802 N VAL A 826 -2.463 -5.833 11.231 1.00 0.38 N ATOM 803 CA VAL A 826 -1.504 -6.733 11.861 1.00 0.45 C ATOM 804 C VAL A 826 -0.156 -6.671 11.152 1.00 0.36 C ATOM 805 O VAL A 826 0.001 -5.955 10.163 1.00 0.31 O ATOM 806 CB VAL A 826 -2.015 -8.186 11.863 1.00 0.54 C ATOM 807 CG1 VAL A 826 -2.939 -8.426 13.047 1.00 0.97 C ATOM 808 CG2 VAL A 826 -2.728 -8.502 10.559 1.00 0.79 C ATOM 0 H VAL A 826 -2.434 -5.832 10.211 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.383 -6.404 12.893 1.00 0.45 H new ATOM 0 HB VAL A 826 -1.157 -8.851 11.956 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -3.290 -9.458 13.031 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -2.397 -8.241 13.975 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -3.793 -7.751 12.985 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -3.082 -9.533 10.578 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -3.577 -7.829 10.436 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -2.037 -8.371 9.726 1.00 0.79 H new ATOM 818 N VAL A 827 0.818 -7.421 11.659 1.00 0.37 N ATOM 819 CA VAL A 827 2.152 -7.436 11.065 1.00 0.33 C ATOM 820 C VAL A 827 2.343 -8.648 10.163 1.00 0.30 C ATOM 821 O VAL A 827 2.311 -9.791 10.621 1.00 0.35 O ATOM 822 CB VAL A 827 3.262 -7.428 12.136 1.00 0.41 C ATOM 823 CG1 VAL A 827 3.877 -6.043 12.257 1.00 0.52 C ATOM 824 CG2 VAL A 827 2.728 -7.900 13.482 1.00 0.56 C ATOM 0 H VAL A 827 0.710 -8.023 12.475 1.00 0.37 H new ATOM 0 HA VAL A 827 2.232 -6.525 10.471 1.00 0.33 H new ATOM 0 HB VAL A 827 4.040 -8.124 11.822 1.00 0.41 H new ATOM 0 HG11 VAL A 827 4.658 -6.057 13.017 1.00 0.52 H new ATOM 0 HG12 VAL A 827 4.308 -5.751 11.299 1.00 0.52 H new ATOM 0 HG13 VAL A 827 3.107 -5.326 12.541 1.00 0.52 H new ATOM 0 HG21 VAL A 827 3.532 -7.884 14.218 1.00 0.56 H new ATOM 0 HG22 VAL A 827 1.925 -7.238 13.807 1.00 0.56 H new ATOM 0 HG23 VAL A 827 2.344 -8.916 13.385 1.00 0.56 H new ATOM 834 N LEU A 828 2.547 -8.385 8.876 1.00 0.26 N ATOM 835 CA LEU A 828 2.749 -9.446 7.895 1.00 0.28 C ATOM 836 C LEU A 828 4.198 -9.920 7.898 1.00 0.46 C ATOM 837 O LEU A 828 5.095 -9.208 7.445 1.00 0.60 O ATOM 838 CB LEU A 828 2.362 -8.950 6.501 1.00 0.31 C ATOM 839 CG LEU A 828 2.358 -10.021 5.407 1.00 0.45 C ATOM 840 CD1 LEU A 828 0.963 -10.605 5.237 1.00 0.66 C ATOM 841 CD2 LEU A 828 2.858 -9.439 4.093 1.00 0.81 C ATOM 0 H LEU A 828 2.577 -7.443 8.487 1.00 0.26 H new ATOM 0 HA LEU A 828 2.113 -10.289 8.165 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.369 -8.504 6.554 1.00 0.31 H new ATOM 0 HB3 LEU A 828 3.052 -8.158 6.210 1.00 0.31 H new ATOM 0 HG LEU A 828 3.031 -10.824 5.707 1.00 0.45 H new ATOM 0 HD11 LEU A 828 0.979 -11.364 4.455 1.00 0.66 H new ATOM 0 HD12 LEU A 828 0.641 -11.057 6.175 1.00 0.66 H new ATOM 0 HD13 LEU A 828 0.268 -9.813 4.959 1.00 0.66 H new ATOM 0 HD21 LEU A 828 2.849 -10.213 3.326 1.00 0.81 H new ATOM 0 HD22 LEU A 828 2.209 -8.618 3.788 1.00 0.81 H new ATOM 0 HD23 LEU A 828 3.875 -9.068 4.223 1.00 0.81 H new ATOM 853 N GLY A 829 4.419 -11.124 8.418 1.00 0.58 N ATOM 854 CA GLY A 829 5.760 -11.675 8.476 1.00 0.81 C ATOM 855 C GLY A 829 6.411 -11.776 7.109 1.00 0.49 C ATOM 856 O GLY A 829 7.357 -11.048 6.811 1.00 0.45 O ATOM 0 H GLY A 829 3.692 -11.728 8.801 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.377 -11.051 9.123 1.00 0.81 H new ATOM 0 HA3 GLY A 829 5.722 -12.665 8.930 1.00 0.81 H new ATOM 860 N SER A 830 5.902 -12.682 6.278 1.00 0.35 N ATOM 861 CA SER A 830 6.440 -12.878 4.937 1.00 0.23 C ATOM 862 C SER A 830 5.527 -13.791 4.123 1.00 0.19 C ATOM 863 O SER A 830 4.303 -13.731 4.256 1.00 0.20 O ATOM 864 CB SER A 830 7.850 -13.472 5.013 1.00 0.45 C ATOM 865 OG SER A 830 7.938 -14.442 6.042 1.00 1.31 O ATOM 0 H SER A 830 5.118 -13.291 6.511 1.00 0.35 H new ATOM 0 HA SER A 830 6.493 -11.909 4.441 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.109 -13.927 4.057 1.00 0.45 H new ATOM 0 HB3 SER A 830 8.574 -12.677 5.195 1.00 0.45 H new ATOM 0 HG SER A 830 8.847 -14.808 6.070 1.00 1.31 H new ATOM 871 N ASP A 831 6.122 -14.637 3.285 1.00 0.18 N ATOM 872 CA ASP A 831 5.355 -15.562 2.457 1.00 0.18 C ATOM 873 C ASP A 831 4.455 -16.442 3.318 1.00 0.17 C ATOM 874 O ASP A 831 3.489 -17.025 2.826 1.00 0.22 O ATOM 875 CB ASP A 831 6.294 -16.433 1.621 1.00 0.23 C ATOM 876 CG ASP A 831 5.572 -17.144 0.494 1.00 1.33 C ATOM 877 OD1 ASP A 831 5.106 -16.457 -0.440 1.00 2.20 O ATOM 878 OD2 ASP A 831 5.471 -18.387 0.546 1.00 1.77 O ATOM 0 H ASP A 831 7.133 -14.700 3.162 1.00 0.18 H new ATOM 0 HA ASP A 831 4.726 -14.975 1.787 1.00 0.18 H new ATOM 0 HB2 ASP A 831 7.088 -15.812 1.206 1.00 0.23 H new ATOM 0 HB3 ASP A 831 6.771 -17.171 2.266 1.00 0.23 H new ATOM 883 N GLU A 832 4.774 -16.531 4.607 1.00 0.18 N ATOM 884 CA GLU A 832 3.986 -17.336 5.533 1.00 0.21 C ATOM 885 C GLU A 832 2.629 -16.690 5.782 1.00 0.19 C ATOM 886 O GLU A 832 1.597 -17.209 5.355 1.00 0.19 O ATOM 887 CB GLU A 832 4.734 -17.514 6.857 1.00 0.26 C ATOM 888 CG GLU A 832 4.131 -18.580 7.755 1.00 0.92 C ATOM 889 CD GLU A 832 4.480 -18.378 9.216 1.00 1.41 C ATOM 890 OE1 GLU A 832 5.663 -18.112 9.513 1.00 2.21 O ATOM 891 OE2 GLU A 832 3.568 -18.483 10.063 1.00 1.63 O ATOM 0 H GLU A 832 5.571 -16.056 5.032 1.00 0.18 H new ATOM 0 HA GLU A 832 3.828 -18.317 5.084 1.00 0.21 H new ATOM 0 HB2 GLU A 832 5.772 -17.772 6.647 1.00 0.26 H new ATOM 0 HB3 GLU A 832 4.743 -16.564 7.390 1.00 0.26 H new ATOM 0 HG2 GLU A 832 3.047 -18.576 7.640 1.00 0.92 H new ATOM 0 HG3 GLU A 832 4.481 -19.561 7.434 1.00 0.92 H new ATOM 898 N ASP A 833 2.634 -15.548 6.462 1.00 0.19 N ATOM 899 CA ASP A 833 1.401 -14.827 6.750 1.00 0.19 C ATOM 900 C ASP A 833 0.743 -14.368 5.459 1.00 0.18 C ATOM 901 O ASP A 833 -0.413 -13.949 5.455 1.00 0.18 O ATOM 902 CB ASP A 833 1.679 -13.624 7.654 1.00 0.22 C ATOM 903 CG ASP A 833 1.593 -13.973 9.126 1.00 0.41 C ATOM 904 OD1 ASP A 833 2.409 -14.797 9.589 1.00 0.73 O ATOM 905 OD2 ASP A 833 0.710 -13.423 9.815 1.00 0.73 O ATOM 0 H ASP A 833 3.478 -15.103 6.823 1.00 0.19 H new ATOM 0 HA ASP A 833 0.723 -15.503 7.270 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.671 -13.230 7.435 1.00 0.22 H new ATOM 0 HB3 ASP A 833 0.965 -12.832 7.429 1.00 0.22 H new ATOM 910 N TRP A 834 1.485 -14.460 4.361 1.00 0.17 N ATOM 911 CA TRP A 834 0.966 -14.065 3.060 1.00 0.17 C ATOM 912 C TRP A 834 0.144 -15.193 2.453 1.00 0.17 C ATOM 913 O TRP A 834 -0.947 -14.968 1.930 1.00 0.19 O ATOM 914 CB TRP A 834 2.108 -13.672 2.123 1.00 0.19 C ATOM 915 CG TRP A 834 1.663 -12.984 0.863 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.285 -13.040 -0.350 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.517 -12.136 0.687 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.605 -12.278 -1.269 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.514 -11.719 -0.660 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.508 -11.691 1.529 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.470 -10.880 -1.176 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.482 -10.860 1.013 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.458 -10.462 -0.328 1.00 0.26 C ATOM 0 H TRP A 834 2.445 -14.804 4.347 1.00 0.17 H new ATOM 0 HA TRP A 834 0.319 -13.198 3.195 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.793 -13.016 2.659 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.668 -14.568 1.856 1.00 0.19 H new ATOM 0 HD1 TRP A 834 3.183 -13.603 -0.558 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.870 -12.150 -2.246 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.537 -11.993 2.566 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.454 -10.570 -2.210 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.277 -10.511 1.656 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.235 -9.812 -0.701 1.00 0.26 H new ATOM 934 N ASN A 835 0.669 -16.410 2.541 1.00 0.18 N ATOM 935 CA ASN A 835 -0.022 -17.581 2.017 1.00 0.20 C ATOM 936 C ASN A 835 -1.297 -17.831 2.812 1.00 0.20 C ATOM 937 O ASN A 835 -2.319 -18.249 2.263 1.00 0.23 O ATOM 938 CB ASN A 835 0.895 -18.808 2.067 1.00 0.23 C ATOM 939 CG ASN A 835 0.595 -19.727 3.239 1.00 1.38 C ATOM 940 OD1 ASN A 835 -0.361 -20.501 3.207 1.00 1.90 O ATOM 941 ND2 ASN A 835 1.418 -19.649 4.277 1.00 1.98 N ATOM 0 H ASN A 835 1.572 -16.611 2.971 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.290 -17.398 0.977 1.00 0.20 H new ATOM 0 HB2 ASN A 835 0.793 -19.369 1.138 1.00 0.23 H new ATOM 0 HB3 ASN A 835 1.932 -18.477 2.128 1.00 0.23 H new ATOM 0 HD21 ASN A 835 1.270 -20.246 5.091 1.00 1.98 H new ATOM 0 HD22 ASN A 835 2.198 -18.993 4.261 1.00 1.98 H new ATOM 948 N VAL A 836 -1.228 -17.550 4.109 1.00 0.20 N ATOM 949 CA VAL A 836 -2.370 -17.722 4.995 1.00 0.22 C ATOM 950 C VAL A 836 -3.389 -16.620 4.753 1.00 0.22 C ATOM 951 O VAL A 836 -4.558 -16.892 4.478 1.00 0.27 O ATOM 952 CB VAL A 836 -1.945 -17.708 6.477 1.00 0.24 C ATOM 953 CG1 VAL A 836 -3.140 -17.966 7.382 1.00 0.67 C ATOM 954 CG2 VAL A 836 -0.849 -18.731 6.727 1.00 0.62 C ATOM 0 H VAL A 836 -0.388 -17.201 4.570 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.814 -18.693 4.775 1.00 0.22 H new ATOM 0 HB VAL A 836 -1.550 -16.719 6.711 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -2.818 -17.952 8.423 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -3.890 -17.191 7.224 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.570 -18.940 7.148 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -0.562 -18.707 7.778 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -1.215 -19.726 6.474 1.00 0.62 H new ATOM 0 HG23 VAL A 836 0.017 -18.495 6.109 1.00 0.62 H new ATOM 964 N ALA A 837 -2.934 -15.371 4.843 1.00 0.20 N ATOM 965 CA ALA A 837 -3.809 -14.227 4.613 1.00 0.20 C ATOM 966 C ALA A 837 -4.465 -14.324 3.241 1.00 0.20 C ATOM 967 O ALA A 837 -5.555 -13.795 3.023 1.00 0.21 O ATOM 968 CB ALA A 837 -3.033 -12.925 4.739 1.00 0.22 C ATOM 0 H ALA A 837 -1.970 -15.128 5.072 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.591 -14.236 5.372 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -3.703 -12.084 4.564 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.609 -12.849 5.740 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.229 -12.908 4.003 1.00 0.22 H new ATOM 974 N LYS A 838 -3.795 -15.014 2.319 1.00 0.21 N ATOM 975 CA LYS A 838 -4.320 -15.195 0.970 1.00 0.24 C ATOM 976 C LYS A 838 -5.563 -16.074 1.001 1.00 0.24 C ATOM 977 O LYS A 838 -6.602 -15.719 0.444 1.00 0.26 O ATOM 978 CB LYS A 838 -3.258 -15.826 0.068 1.00 0.28 C ATOM 979 CG LYS A 838 -2.460 -14.815 -0.743 1.00 0.38 C ATOM 980 CD LYS A 838 -1.067 -15.336 -1.070 1.00 0.49 C ATOM 981 CE LYS A 838 -1.123 -16.662 -1.812 1.00 0.68 C ATOM 982 NZ LYS A 838 -0.613 -16.544 -3.205 1.00 0.85 N ATOM 0 H LYS A 838 -2.890 -15.455 2.483 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.589 -14.218 0.569 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.571 -16.407 0.683 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -3.743 -16.524 -0.615 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -2.991 -14.588 -1.668 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -2.379 -13.882 -0.185 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -0.537 -14.602 -1.676 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -0.498 -15.458 -0.148 1.00 0.49 H new ATOM 0 HE2 LYS A 838 -0.535 -17.404 -1.272 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -2.151 -17.023 -1.832 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 -0.940 -17.358 -3.764 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -0.969 -15.665 -3.632 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 0.427 -16.527 -3.194 1.00 0.85 H new ATOM 996 N GLU A 839 -5.450 -17.219 1.671 1.00 0.26 N ATOM 997 CA GLU A 839 -6.570 -18.145 1.791 1.00 0.29 C ATOM 998 C GLU A 839 -7.754 -17.453 2.456 1.00 0.27 C ATOM 999 O GLU A 839 -8.905 -17.845 2.266 1.00 0.31 O ATOM 1000 CB GLU A 839 -6.159 -19.374 2.605 1.00 0.34 C ATOM 1001 CG GLU A 839 -5.472 -20.451 1.781 1.00 0.71 C ATOM 1002 CD GLU A 839 -4.968 -21.602 2.631 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -4.777 -21.401 3.849 1.00 1.95 O ATOM 1004 OE2 GLU A 839 -4.762 -22.704 2.079 1.00 1.82 O ATOM 0 H GLU A 839 -4.596 -17.526 2.137 1.00 0.26 H new ATOM 0 HA GLU A 839 -6.863 -18.468 0.792 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -5.490 -19.061 3.407 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -7.045 -19.799 3.076 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -6.169 -20.833 1.035 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -4.635 -20.010 1.239 1.00 0.71 H new ATOM 1011 N MET A 840 -7.454 -16.416 3.232 1.00 0.25 N ATOM 1012 CA MET A 840 -8.482 -15.651 3.927 1.00 0.24 C ATOM 1013 C MET A 840 -9.228 -14.748 2.948 1.00 0.24 C ATOM 1014 O MET A 840 -10.436 -14.550 3.069 1.00 0.27 O ATOM 1015 CB MET A 840 -7.842 -14.824 5.051 1.00 0.24 C ATOM 1016 CG MET A 840 -8.585 -13.542 5.385 1.00 0.26 C ATOM 1017 SD MET A 840 -7.583 -12.398 6.353 1.00 0.30 S ATOM 1018 CE MET A 840 -6.766 -11.478 5.052 1.00 0.27 C ATOM 0 H MET A 840 -6.503 -16.086 3.395 1.00 0.25 H new ATOM 0 HA MET A 840 -9.203 -16.340 4.366 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.781 -15.439 5.949 1.00 0.24 H new ATOM 0 HB3 MET A 840 -6.820 -14.574 4.766 1.00 0.24 H new ATOM 0 HG2 MET A 840 -8.897 -13.055 4.461 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.492 -13.785 5.939 1.00 0.26 H new ATOM 0 HE1 MET A 840 -6.465 -10.501 5.431 1.00 0.27 H new ATOM 0 HE2 MET A 840 -5.884 -12.025 4.718 1.00 0.27 H new ATOM 0 HE3 MET A 840 -7.451 -11.347 4.214 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.497 -14.210 1.975 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.085 -13.337 0.967 1.00 0.24 C ATOM 1030 C LEU A 841 -10.159 -14.081 0.179 1.00 0.24 C ATOM 1031 O LEU A 841 -11.234 -13.543 -0.087 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.003 -12.821 0.012 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.229 -11.591 0.498 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.166 -11.200 -0.515 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.176 -10.426 0.756 1.00 0.38 C ATOM 0 H LEU A 841 -7.495 -14.365 1.865 1.00 0.22 H new ATOM 0 HA LEU A 841 -9.544 -12.488 1.474 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.292 -13.626 -0.174 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -8.470 -12.581 -0.943 1.00 0.26 H new ATOM 0 HG LEU A 841 -6.737 -11.844 1.437 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -5.625 -10.325 -0.155 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.469 -12.027 -0.649 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.640 -10.967 -1.468 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -7.606 -9.563 1.100 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -8.699 -10.171 -0.166 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -8.902 -10.709 1.518 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.858 -15.323 -0.187 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.794 -16.149 -0.940 1.00 0.35 C ATOM 1049 C ALA A 842 -11.926 -16.645 -0.053 1.00 0.36 C ATOM 1050 O ALA A 842 -13.033 -16.905 -0.526 1.00 0.49 O ATOM 1051 CB ALA A 842 -10.071 -17.327 -1.564 1.00 0.49 C ATOM 0 H ALA A 842 -8.971 -15.780 0.026 1.00 0.30 H new ATOM 0 HA ALA A 842 -11.224 -15.533 -1.730 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -10.782 -17.935 -2.123 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -9.296 -16.963 -2.238 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -9.615 -17.931 -0.780 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.642 -16.772 1.240 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.636 -17.233 2.203 1.00 0.42 C ATOM 1059 C GLU A 843 -13.712 -16.174 2.416 1.00 0.53 C ATOM 1060 O GLU A 843 -14.567 -16.311 3.292 1.00 0.69 O ATOM 1061 CB GLU A 843 -11.965 -17.572 3.535 1.00 0.45 C ATOM 1062 CG GLU A 843 -12.380 -18.920 4.101 1.00 0.57 C ATOM 1063 CD GLU A 843 -11.314 -19.984 3.919 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -10.856 -20.175 2.773 1.00 1.68 O ATOM 1065 OE2 GLU A 843 -10.937 -20.624 4.923 1.00 1.36 O ATOM 0 H GLU A 843 -10.730 -16.562 1.645 1.00 0.34 H new ATOM 0 HA GLU A 843 -13.108 -18.131 1.804 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -10.883 -17.562 3.400 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -12.203 -16.794 4.260 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -12.602 -18.811 5.163 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -13.300 -19.246 3.615 1.00 0.57 H new ATOM 1072 N ASN A 844 -13.663 -15.121 1.607 1.00 0.54 N ATOM 1073 CA ASN A 844 -14.634 -14.035 1.701 1.00 0.77 C ATOM 1074 C ASN A 844 -14.890 -13.420 0.329 1.00 0.81 C ATOM 1075 O ASN A 844 -15.413 -12.309 0.226 1.00 1.48 O ATOM 1076 CB ASN A 844 -14.136 -12.961 2.669 1.00 0.89 C ATOM 1077 CG ASN A 844 -14.264 -13.384 4.120 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -15.248 -13.063 4.787 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -13.266 -14.106 4.618 1.00 1.05 N ATOM 0 H ASN A 844 -12.961 -14.996 0.878 1.00 0.54 H new ATOM 0 HA ASN A 844 -15.570 -14.446 2.078 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -13.092 -12.735 2.450 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -14.701 -12.043 2.510 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -13.296 -14.417 5.589 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -12.469 -14.349 4.029 1.00 1.05 H new ATOM 1086 N ASN A 845 -14.512 -14.147 -0.720 1.00 0.49 N ATOM 1087 CA ASN A 845 -14.692 -13.677 -2.091 1.00 0.56 C ATOM 1088 C ASN A 845 -13.933 -12.374 -2.323 1.00 0.48 C ATOM 1089 O ASN A 845 -14.136 -11.693 -3.329 1.00 0.57 O ATOM 1090 CB ASN A 845 -16.178 -13.479 -2.401 1.00 0.73 C ATOM 1091 CG ASN A 845 -16.513 -13.802 -3.843 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -16.431 -14.954 -4.270 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -16.893 -12.782 -4.606 1.00 1.97 N ATOM 0 H ASN A 845 -14.078 -15.067 -0.646 1.00 0.49 H new ATOM 0 HA ASN A 845 -14.290 -14.437 -2.762 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -16.772 -14.112 -1.742 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -16.457 -12.447 -2.188 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -17.130 -12.939 -5.586 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -16.947 -11.843 -4.212 1.00 1.97 H new ATOM 1100 N GLU A 846 -13.058 -12.034 -1.381 1.00 0.35 N ATOM 1101 CA GLU A 846 -12.265 -10.815 -1.472 1.00 0.31 C ATOM 1102 C GLU A 846 -11.111 -10.982 -2.453 1.00 0.30 C ATOM 1103 O GLU A 846 -10.829 -12.085 -2.920 1.00 0.49 O ATOM 1104 CB GLU A 846 -11.714 -10.436 -0.096 1.00 0.33 C ATOM 1105 CG GLU A 846 -12.418 -9.250 0.550 1.00 0.44 C ATOM 1106 CD GLU A 846 -13.888 -9.159 0.182 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -14.717 -9.748 0.906 1.00 1.69 O ATOM 1108 OE2 GLU A 846 -14.207 -8.499 -0.828 1.00 2.30 O ATOM 0 H GLU A 846 -12.881 -12.589 -0.544 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.917 -10.020 -1.834 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -11.795 -11.298 0.566 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -10.653 -10.207 -0.192 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -12.325 -9.325 1.633 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -11.917 -8.330 0.250 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.441 -9.872 -2.747 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.306 -9.878 -3.659 1.00 0.31 C ATOM 1117 C LYS A 847 -8.347 -8.747 -3.314 1.00 0.36 C ATOM 1118 O LYS A 847 -7.131 -8.902 -3.404 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.773 -9.740 -5.109 1.00 0.38 C ATOM 1120 CG LYS A 847 -10.974 -8.824 -5.283 1.00 0.69 C ATOM 1121 CD LYS A 847 -11.891 -9.315 -6.391 1.00 0.97 C ATOM 1122 CE LYS A 847 -13.278 -9.644 -5.863 1.00 1.32 C ATOM 1123 NZ LYS A 847 -14.223 -8.507 -6.037 1.00 1.98 N ATOM 0 H LYS A 847 -10.667 -8.954 -2.364 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.788 -10.831 -3.551 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -8.948 -9.360 -5.712 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -10.022 -10.728 -5.496 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -11.530 -8.769 -4.347 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -10.633 -7.814 -5.512 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -11.967 -8.552 -7.166 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -11.459 -10.201 -6.857 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -13.665 -10.521 -6.382 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -13.212 -9.903 -4.806 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -15.157 -8.772 -5.664 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -13.867 -7.677 -5.521 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -14.306 -8.276 -7.048 1.00 1.98 H new ATOM 1137 N PHE A 848 -8.907 -7.609 -2.913 1.00 0.32 N ATOM 1138 CA PHE A 848 -8.103 -6.449 -2.549 1.00 0.37 C ATOM 1139 C PHE A 848 -7.626 -6.553 -1.104 1.00 0.30 C ATOM 1140 O PHE A 848 -8.326 -7.098 -0.249 1.00 0.39 O ATOM 1141 CB PHE A 848 -8.904 -5.158 -2.734 1.00 0.50 C ATOM 1142 CG PHE A 848 -9.756 -5.139 -3.971 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -9.184 -4.981 -5.223 1.00 0.92 C ATOM 1144 CD2 PHE A 848 -11.131 -5.276 -3.879 1.00 0.82 C ATOM 1145 CE1 PHE A 848 -9.968 -4.959 -6.360 1.00 1.09 C ATOM 1146 CE2 PHE A 848 -11.921 -5.256 -5.012 1.00 1.02 C ATOM 1147 CZ PHE A 848 -11.340 -5.097 -6.255 1.00 0.98 C ATOM 0 H PHE A 848 -9.914 -7.467 -2.832 1.00 0.32 H new ATOM 0 HA PHE A 848 -7.234 -6.426 -3.207 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -9.543 -5.011 -1.863 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -8.213 -4.316 -2.768 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -8.113 -4.874 -5.311 1.00 0.92 H new ATOM 0 HD2 PHE A 848 -11.591 -5.400 -2.910 1.00 0.82 H new ATOM 0 HE1 PHE A 848 -9.510 -4.834 -7.330 1.00 1.09 H new ATOM 0 HE2 PHE A 848 -12.992 -5.365 -4.926 1.00 1.02 H new ATOM 0 HZ PHE A 848 -11.955 -5.080 -7.142 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.439 -6.023 -0.839 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.872 -6.051 0.502 1.00 0.23 C ATOM 1159 C LEU A 849 -5.543 -4.644 0.986 1.00 0.24 C ATOM 1160 O LEU A 849 -4.936 -3.856 0.263 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.620 -6.921 0.539 1.00 0.26 C ATOM 1162 CG LEU A 849 -4.034 -7.130 1.933 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -4.068 -8.600 2.319 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -2.618 -6.589 1.992 1.00 0.74 C ATOM 0 H LEU A 849 -5.850 -5.568 -1.536 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.619 -6.480 1.170 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.857 -7.894 0.109 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.859 -6.468 -0.097 1.00 0.26 H new ATOM 0 HG LEU A 849 -4.644 -6.582 2.651 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -3.645 -8.724 3.316 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -5.099 -8.953 2.315 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -3.484 -9.178 1.603 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -2.211 -6.744 2.991 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -1.998 -7.111 1.263 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -2.626 -5.523 1.765 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.952 -4.337 2.212 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.704 -3.023 2.796 1.00 0.29 C ATOM 1178 C ASN A 850 -4.328 -2.969 3.452 1.00 0.30 C ATOM 1179 O ASN A 850 -3.788 -3.994 3.867 1.00 0.43 O ATOM 1180 CB ASN A 850 -6.786 -2.687 3.825 1.00 0.37 C ATOM 1181 CG ASN A 850 -7.987 -2.005 3.202 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -7.732 -1.013 2.356 1.00 1.52 O flip ATOM 1183 ND2 ASN A 850 -9.132 -2.366 3.475 1.00 0.92 N flip ATOM 0 H ASN A 850 -6.457 -4.980 2.821 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.733 -2.286 1.994 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -7.109 -3.603 4.320 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -6.363 -2.040 4.594 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -9.282 -3.133 4.131 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -9.930 -1.898 3.046 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.765 -1.766 3.539 1.00 0.31 N ATOM 1191 CA ILE A 851 -2.450 -1.579 4.143 1.00 0.36 C ATOM 1192 C ILE A 851 -2.521 -0.613 5.323 1.00 0.53 C ATOM 1193 O ILE A 851 -3.539 0.045 5.533 1.00 0.71 O ATOM 1194 CB ILE A 851 -1.434 -1.064 3.116 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.723 -1.694 1.755 1.00 0.54 C ATOM 1196 CG2 ILE A 851 -0.010 -1.353 3.569 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -0.879 -2.911 1.422 1.00 1.04 C ATOM 0 H ILE A 851 -4.199 -0.908 3.199 1.00 0.31 H new ATOM 0 HA ILE A 851 -2.119 -2.553 4.503 1.00 0.36 H new ATOM 0 HB ILE A 851 -1.531 0.018 3.028 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -2.775 -1.978 1.718 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -1.569 -0.941 0.982 1.00 0.54 H new ATOM 0 HG21 ILE A 851 0.692 -0.978 2.824 1.00 0.53 H new ATOM 0 HG22 ILE A 851 0.176 -0.859 4.523 1.00 0.53 H new ATOM 0 HG23 ILE A 851 0.124 -2.429 3.685 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -1.156 -3.288 0.437 1.00 1.04 H new ATOM 0 HD12 ILE A 851 0.175 -2.633 1.421 1.00 1.04 H new ATOM 0 HD13 ILE A 851 -1.049 -3.687 2.168 1.00 1.04 H new ATOM 1209 N ARG A 852 -1.436 -0.538 6.090 1.00 0.59 N ATOM 1210 CA ARG A 852 -1.372 0.346 7.253 1.00 0.80 C ATOM 1211 C ARG A 852 -1.722 1.786 6.881 1.00 0.83 C ATOM 1212 O ARG A 852 -2.895 2.159 6.845 1.00 1.70 O ATOM 1213 CB ARG A 852 0.021 0.288 7.887 1.00 1.22 C ATOM 1214 CG ARG A 852 1.148 0.103 6.881 1.00 2.24 C ATOM 1215 CD ARG A 852 2.475 0.591 7.437 1.00 3.05 C ATOM 1216 NE ARG A 852 2.734 1.985 7.092 1.00 3.71 N ATOM 1217 CZ ARG A 852 3.946 2.536 7.096 1.00 4.39 C ATOM 1218 NH1 ARG A 852 5.006 1.812 7.434 1.00 4.68 N ATOM 1219 NH2 ARG A 852 4.098 3.809 6.763 1.00 5.09 N ATOM 0 H ARG A 852 -0.587 -1.080 5.927 1.00 0.59 H new ATOM 0 HA ARG A 852 -2.109 -0.001 7.977 1.00 0.80 H new ATOM 0 HB2 ARG A 852 0.194 1.207 8.446 1.00 1.22 H new ATOM 0 HB3 ARG A 852 0.049 -0.532 8.605 1.00 1.22 H new ATOM 0 HG2 ARG A 852 1.229 -0.951 6.614 1.00 2.24 H new ATOM 0 HG3 ARG A 852 0.913 0.647 5.966 1.00 2.24 H new ATOM 0 HD2 ARG A 852 2.476 0.480 8.521 1.00 3.05 H new ATOM 0 HD3 ARG A 852 3.281 -0.033 7.052 1.00 3.05 H new ATOM 0 HE ARG A 852 1.941 2.571 6.833 1.00 3.71 H new ATOM 0 HH11 ARG A 852 4.893 0.831 7.691 1.00 4.68 H new ATOM 0 HH12 ARG A 852 5.934 2.236 7.436 1.00 4.68 H new ATOM 0 HH21 ARG A 852 3.286 4.369 6.503 1.00 5.09 H new ATOM 0 HH22 ARG A 852 5.027 4.230 6.767 1.00 5.09 H new ATOM 1233 N LEU A 853 -0.697 2.594 6.609 1.00 0.91 N ATOM 1234 CA LEU A 853 -0.895 3.993 6.241 1.00 1.58 C ATOM 1235 C LEU A 853 -1.731 4.727 7.288 1.00 2.01 C ATOM 1236 O LEU A 853 -2.349 5.748 6.994 1.00 2.60 O ATOM 1237 CB LEU A 853 -1.567 4.091 4.871 1.00 1.88 C ATOM 1238 CG LEU A 853 -0.611 4.049 3.676 1.00 1.74 C ATOM 1239 CD1 LEU A 853 -0.114 2.631 3.441 1.00 1.95 C ATOM 1240 CD2 LEU A 853 -1.295 4.591 2.430 1.00 2.38 C ATOM 0 H LEU A 853 0.280 2.301 6.637 1.00 0.91 H new ATOM 0 HA LEU A 853 0.084 4.469 6.193 1.00 1.58 H new ATOM 0 HB2 LEU A 853 -2.281 3.273 4.774 1.00 1.88 H new ATOM 0 HB3 LEU A 853 -2.137 5.019 4.828 1.00 1.88 H new ATOM 0 HG LEU A 853 0.249 4.681 3.898 1.00 1.74 H new ATOM 0 HD11 LEU A 853 0.564 2.620 2.588 1.00 1.95 H new ATOM 0 HD12 LEU A 853 0.413 2.278 4.328 1.00 1.95 H new ATOM 0 HD13 LEU A 853 -0.962 1.977 3.239 1.00 1.95 H new ATOM 0 HD21 LEU A 853 -0.602 4.554 1.589 1.00 2.38 H new ATOM 0 HD22 LEU A 853 -2.172 3.985 2.204 1.00 2.38 H new ATOM 0 HD23 LEU A 853 -1.601 5.623 2.603 1.00 2.38 H new ATOM 1252 N TYR A 854 -1.743 4.199 8.511 1.00 1.85 N ATOM 1253 CA TYR A 854 -2.504 4.810 9.597 1.00 2.27 C ATOM 1254 C TYR A 854 -1.662 5.840 10.342 1.00 2.81 C ATOM 1255 O TYR A 854 -2.146 6.371 11.364 1.00 3.39 O ATOM 1256 CB TYR A 854 -3.014 3.741 10.572 1.00 2.12 C ATOM 1257 CG TYR A 854 -1.954 2.769 11.046 1.00 1.65 C ATOM 1258 CD1 TYR A 854 -0.939 3.181 11.900 1.00 1.81 C ATOM 1259 CD2 TYR A 854 -1.960 1.441 10.631 1.00 1.32 C ATOM 1260 CE1 TYR A 854 0.040 2.302 12.327 1.00 1.84 C ATOM 1261 CE2 TYR A 854 -0.989 0.555 11.056 1.00 1.08 C ATOM 1262 CZ TYR A 854 -0.020 0.973 11.932 1.00 1.48 C ATOM 1263 OH TYR A 854 0.979 0.112 12.325 1.00 1.82 O ATOM 1264 OXT TYR A 854 -0.525 6.106 9.899 1.00 3.18 O ATOM 0 H TYR A 854 -1.236 3.353 8.773 1.00 1.85 H new ATOM 0 HA TYR A 854 -3.362 5.319 9.157 1.00 2.27 H new ATOM 0 HB2 TYR A 854 -3.449 4.236 11.440 1.00 2.12 H new ATOM 0 HB3 TYR A 854 -3.815 3.180 10.090 1.00 2.12 H new ATOM 0 HD1 TYR A 854 -0.914 4.207 12.237 1.00 1.81 H new ATOM 0 HD2 TYR A 854 -2.737 1.097 9.965 1.00 1.32 H new ATOM 0 HE1 TYR A 854 0.843 2.647 12.962 1.00 1.84 H new ATOM 0 HE2 TYR A 854 -0.993 -0.464 10.699 1.00 1.08 H new ATOM 0 HH TYR A 854 1.341 0.403 13.188 1.00 1.82 H new TER 1274 TYR A 854