USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 548 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 818 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 840 MET CE :methyl -118:sc= -4.98! (180deg=-7.61!) USER MOD Set 2.1: A 819 GLN : amide:sc= -2.49! K(o=-2.7!,f=-3.6) USER MOD Set 2.2: A 850 ASN :FLIP amide:sc= -0.24 F(o=-6.9!,f=-2.7) USER MOD Single : A 782 THR OG1 : rot 134:sc= 0.406 USER MOD Single : A 787 LYS NZ :NH3+ -165:sc= 1.31 (180deg=1) USER MOD Single : A 790 ASN : amide:sc= -0.0184 X(o=-0.018,f=-0.025) USER MOD Single : A 796 MET CE :methyl 162:sc= -0.112 (180deg=-0.618) USER MOD Single : A 799 ASN :FLIP amide:sc= -0.11 F(o=-4.1!,f=-0.11) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.108) USER MOD Single : A 814 THR OG1 : rot 180:sc= 0 USER MOD Single : A 815 LYS NZ :NH3+ -132:sc= 0 (180deg=-1.23) USER MOD Single : A 817 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 830 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 838 LYS NZ :NH3+ 148:sc= -0.284 (180deg=-1.79!) USER MOD Single : A 844 ASN :FLIP amide:sc= -1.2 F(o=-1.8,f=-1.2) USER MOD Single : A 845 ASN : amide:sc= 0.984 K(o=0.98,f=-0.096) USER MOD Single : A 847 LYS NZ :NH3+ 171:sc= 0.0309 (180deg=0.0207) USER MOD Single : A 854 TYR OH : rot -15:sc= -3! USER MOD ----------------------------------------------------------------- ATOM 14 N GLU A 779 -7.413 -10.793 -0.349 1.00 0.78 N ATOM 15 CA GLU A 779 -7.411 -10.183 -1.668 1.00 0.85 C ATOM 16 C GLU A 779 -6.178 -9.311 -1.844 1.00 0.75 C ATOM 17 O GLU A 779 -5.825 -8.520 -0.963 1.00 1.17 O ATOM 18 CB GLU A 779 -8.690 -9.367 -1.922 1.00 1.60 C ATOM 19 CG GLU A 779 -8.949 -8.234 -0.929 1.00 1.95 C ATOM 20 CD GLU A 779 -9.532 -8.697 0.395 1.00 2.62 C ATOM 21 OE1 GLU A 779 -9.678 -9.920 0.602 1.00 3.25 O ATOM 22 OE2 GLU A 779 -9.846 -7.835 1.237 1.00 2.92 O ATOM 0 HA GLU A 779 -7.385 -10.987 -2.404 1.00 0.85 H new ATOM 0 HB2 GLU A 779 -8.638 -8.944 -2.925 1.00 1.60 H new ATOM 0 HB3 GLU A 779 -9.543 -10.045 -1.905 1.00 1.60 H new ATOM 0 HG2 GLU A 779 -8.013 -7.710 -0.739 1.00 1.95 H new ATOM 0 HG3 GLU A 779 -9.631 -7.515 -1.383 1.00 1.95 H new ATOM 29 N ILE A 780 -5.467 -9.556 -2.928 1.00 0.62 N ATOM 30 CA ILE A 780 -4.233 -8.858 -3.201 1.00 0.43 C ATOM 31 C ILE A 780 -4.489 -7.662 -4.112 1.00 0.37 C ATOM 32 O ILE A 780 -5.320 -7.712 -5.025 1.00 0.49 O ATOM 33 CB ILE A 780 -3.171 -9.799 -3.822 1.00 0.45 C ATOM 34 CG1 ILE A 780 -1.836 -9.072 -4.014 1.00 0.75 C ATOM 35 CG2 ILE A 780 -3.659 -10.376 -5.144 1.00 0.74 C ATOM 36 CD1 ILE A 780 -1.194 -8.612 -2.720 1.00 0.51 C ATOM 0 H ILE A 780 -5.729 -10.240 -3.638 1.00 0.62 H new ATOM 0 HA ILE A 780 -3.838 -8.498 -2.251 1.00 0.43 H new ATOM 0 HB ILE A 780 -3.013 -10.624 -3.127 1.00 0.45 H new ATOM 0 HG12 ILE A 780 -1.145 -9.734 -4.535 1.00 0.75 H new ATOM 0 HG13 ILE A 780 -1.994 -8.206 -4.657 1.00 0.75 H new ATOM 0 HG21 ILE A 780 -2.894 -11.033 -5.559 1.00 0.74 H new ATOM 0 HG22 ILE A 780 -4.574 -10.944 -4.977 1.00 0.74 H new ATOM 0 HG23 ILE A 780 -3.858 -9.564 -5.844 1.00 0.74 H new ATOM 0 HD11 ILE A 780 -0.254 -8.107 -2.940 1.00 0.51 H new ATOM 0 HD12 ILE A 780 -1.864 -7.923 -2.206 1.00 0.51 H new ATOM 0 HD13 ILE A 780 -1.002 -9.475 -2.082 1.00 0.51 H new ATOM 48 N PHE A 781 -3.797 -6.585 -3.823 1.00 0.28 N ATOM 49 CA PHE A 781 -3.939 -5.345 -4.555 1.00 0.26 C ATOM 50 C PHE A 781 -2.564 -4.892 -5.014 1.00 0.22 C ATOM 51 O PHE A 781 -1.568 -5.206 -4.368 1.00 0.21 O ATOM 52 CB PHE A 781 -4.594 -4.285 -3.659 1.00 0.29 C ATOM 53 CG PHE A 781 -4.826 -2.961 -4.333 1.00 0.34 C ATOM 54 CD1 PHE A 781 -5.502 -2.898 -5.541 1.00 0.41 C ATOM 55 CD2 PHE A 781 -4.381 -1.783 -3.759 1.00 0.37 C ATOM 56 CE1 PHE A 781 -5.730 -1.688 -6.163 1.00 0.50 C ATOM 57 CE2 PHE A 781 -4.608 -0.569 -4.376 1.00 0.44 C ATOM 58 CZ PHE A 781 -5.230 -0.514 -5.579 1.00 0.52 C ATOM 0 H PHE A 781 -3.113 -6.543 -3.067 1.00 0.28 H new ATOM 0 HA PHE A 781 -4.577 -5.491 -5.426 1.00 0.26 H new ATOM 0 HB2 PHE A 781 -5.549 -4.669 -3.301 1.00 0.29 H new ATOM 0 HB3 PHE A 781 -3.965 -4.128 -2.783 1.00 0.29 H new ATOM 0 HD1 PHE A 781 -5.855 -3.809 -6.002 1.00 0.41 H new ATOM 0 HD2 PHE A 781 -3.851 -1.814 -2.819 1.00 0.37 H new ATOM 0 HE1 PHE A 781 -6.286 -1.645 -7.088 1.00 0.50 H new ATOM 0 HE2 PHE A 781 -4.287 0.344 -3.896 1.00 0.44 H new ATOM 0 HZ PHE A 781 -5.341 0.432 -6.088 1.00 0.52 H new ATOM 68 N THR A 782 -2.490 -4.279 -6.180 1.00 0.23 N ATOM 69 CA THR A 782 -1.205 -3.913 -6.745 1.00 0.23 C ATOM 70 C THR A 782 -1.191 -2.433 -7.101 1.00 0.23 C ATOM 71 O THR A 782 -2.192 -1.879 -7.571 1.00 0.25 O ATOM 72 CB THR A 782 -0.860 -4.769 -7.987 1.00 0.29 C ATOM 73 OG1 THR A 782 0.451 -4.445 -8.464 1.00 1.39 O ATOM 74 CG2 THR A 782 -1.873 -4.567 -9.107 1.00 1.34 C ATOM 0 H THR A 782 -3.297 -4.026 -6.750 1.00 0.23 H new ATOM 0 HA THR A 782 -0.443 -4.107 -5.990 1.00 0.23 H new ATOM 0 HB THR A 782 -0.892 -5.815 -7.682 1.00 0.29 H new ATOM 0 HG1 THR A 782 0.944 -5.271 -8.653 1.00 1.39 H new ATOM 0 HG21 THR A 782 -1.598 -5.184 -9.962 1.00 1.34 H new ATOM 0 HG22 THR A 782 -2.865 -4.854 -8.757 1.00 1.34 H new ATOM 0 HG23 THR A 782 -1.882 -3.518 -9.404 1.00 1.34 H new ATOM 82 N LEU A 783 -0.152 -1.770 -6.624 1.00 0.22 N ATOM 83 CA LEU A 783 -0.072 -0.326 -6.666 1.00 0.21 C ATOM 84 C LEU A 783 1.391 0.104 -6.757 1.00 0.21 C ATOM 85 O LEU A 783 2.266 -0.567 -6.217 1.00 0.23 O ATOM 86 CB LEU A 783 -0.736 0.242 -5.407 1.00 0.26 C ATOM 87 CG LEU A 783 -0.995 1.747 -5.408 1.00 0.35 C ATOM 88 CD1 LEU A 783 -1.839 2.148 -6.608 1.00 0.83 C ATOM 89 CD2 LEU A 783 -1.680 2.159 -4.115 1.00 0.61 C ATOM 0 H LEU A 783 0.658 -2.220 -6.198 1.00 0.22 H new ATOM 0 HA LEU A 783 -0.592 0.058 -7.543 1.00 0.21 H new ATOM 0 HB2 LEU A 783 -1.687 -0.270 -5.259 1.00 0.26 H new ATOM 0 HB3 LEU A 783 -0.108 0.002 -4.549 1.00 0.26 H new ATOM 0 HG LEU A 783 -0.038 2.263 -5.479 1.00 0.35 H new ATOM 0 HD11 LEU A 783 -2.011 3.224 -6.588 1.00 0.83 H new ATOM 0 HD12 LEU A 783 -1.316 1.881 -7.526 1.00 0.83 H new ATOM 0 HD13 LEU A 783 -2.796 1.627 -6.570 1.00 0.83 H new ATOM 0 HD21 LEU A 783 -1.860 3.234 -4.125 1.00 0.61 H new ATOM 0 HD22 LEU A 783 -2.630 1.632 -4.023 1.00 0.61 H new ATOM 0 HD23 LEU A 783 -1.041 1.906 -3.268 1.00 0.61 H new ATOM 101 N LEU A 784 1.667 1.196 -7.450 1.00 0.20 N ATOM 102 CA LEU A 784 3.040 1.669 -7.581 1.00 0.22 C ATOM 103 C LEU A 784 3.116 3.121 -7.148 1.00 0.21 C ATOM 104 O LEU A 784 2.280 3.938 -7.531 1.00 0.23 O ATOM 105 CB LEU A 784 3.559 1.523 -9.018 1.00 0.29 C ATOM 106 CG LEU A 784 3.781 0.087 -9.505 1.00 0.91 C ATOM 107 CD1 LEU A 784 2.479 -0.531 -9.988 1.00 1.53 C ATOM 108 CD2 LEU A 784 4.828 0.055 -10.607 1.00 1.45 C ATOM 0 H LEU A 784 0.970 1.768 -7.927 1.00 0.20 H new ATOM 0 HA LEU A 784 3.672 1.055 -6.940 1.00 0.22 H new ATOM 0 HB2 LEU A 784 2.852 2.009 -9.690 1.00 0.29 H new ATOM 0 HB3 LEU A 784 4.502 2.064 -9.100 1.00 0.29 H new ATOM 0 HG LEU A 784 4.144 -0.504 -8.664 1.00 0.91 H new ATOM 0 HD11 LEU A 784 2.664 -1.550 -10.328 1.00 1.53 H new ATOM 0 HD12 LEU A 784 1.758 -0.547 -9.170 1.00 1.53 H new ATOM 0 HD13 LEU A 784 2.080 0.060 -10.812 1.00 1.53 H new ATOM 0 HD21 LEU A 784 4.973 -0.972 -10.941 1.00 1.45 H new ATOM 0 HD22 LEU A 784 4.492 0.665 -11.445 1.00 1.45 H new ATOM 0 HD23 LEU A 784 5.770 0.449 -10.225 1.00 1.45 H new ATOM 120 N VAL A 785 3.988 3.371 -6.180 1.00 0.22 N ATOM 121 CA VAL A 785 4.035 4.658 -5.501 1.00 0.25 C ATOM 122 C VAL A 785 4.530 5.772 -6.420 1.00 0.34 C ATOM 123 O VAL A 785 5.474 5.594 -7.189 1.00 0.79 O ATOM 124 CB VAL A 785 4.897 4.590 -4.220 1.00 0.28 C ATOM 125 CG1 VAL A 785 4.408 3.464 -3.329 1.00 0.95 C ATOM 126 CG2 VAL A 785 6.372 4.411 -4.541 1.00 1.10 C ATOM 0 H VAL A 785 4.675 2.695 -5.847 1.00 0.22 H new ATOM 0 HA VAL A 785 3.011 4.897 -5.212 1.00 0.25 H new ATOM 0 HB VAL A 785 4.792 5.539 -3.694 1.00 0.28 H new ATOM 0 HG11 VAL A 785 5.020 3.421 -2.428 1.00 0.95 H new ATOM 0 HG12 VAL A 785 3.369 3.643 -3.054 1.00 0.95 H new ATOM 0 HG13 VAL A 785 4.484 2.517 -3.864 1.00 0.95 H new ATOM 0 HG21 VAL A 785 6.944 4.368 -3.614 1.00 1.10 H new ATOM 0 HG22 VAL A 785 6.513 3.485 -5.098 1.00 1.10 H new ATOM 0 HG23 VAL A 785 6.718 5.252 -5.142 1.00 1.10 H new ATOM 136 N GLU A 786 3.825 6.892 -6.387 1.00 0.69 N ATOM 137 CA GLU A 786 4.135 8.025 -7.245 1.00 0.81 C ATOM 138 C GLU A 786 5.198 8.922 -6.615 1.00 0.87 C ATOM 139 O GLU A 786 6.287 8.464 -6.266 1.00 1.56 O ATOM 140 CB GLU A 786 2.868 8.835 -7.520 1.00 0.99 C ATOM 141 CG GLU A 786 1.834 8.091 -8.338 1.00 1.51 C ATOM 142 CD GLU A 786 0.556 8.883 -8.495 1.00 2.26 C ATOM 143 OE1 GLU A 786 0.381 9.886 -7.776 1.00 3.06 O ATOM 144 OE2 GLU A 786 -0.280 8.511 -9.348 1.00 2.59 O ATOM 0 H GLU A 786 3.027 7.041 -5.769 1.00 0.69 H new ATOM 0 HA GLU A 786 4.530 7.638 -8.185 1.00 0.81 H new ATOM 0 HB2 GLU A 786 2.423 9.130 -6.570 1.00 0.99 H new ATOM 0 HB3 GLU A 786 3.140 9.752 -8.043 1.00 0.99 H new ATOM 0 HG2 GLU A 786 2.244 7.867 -9.323 1.00 1.51 H new ATOM 0 HG3 GLU A 786 1.612 7.137 -7.860 1.00 1.51 H new ATOM 151 N LYS A 787 4.872 10.208 -6.510 1.00 0.91 N ATOM 152 CA LYS A 787 5.781 11.229 -5.990 1.00 1.01 C ATOM 153 C LYS A 787 6.003 11.103 -4.475 1.00 0.96 C ATOM 154 O LYS A 787 5.902 12.087 -3.742 1.00 1.58 O ATOM 155 CB LYS A 787 5.238 12.630 -6.320 1.00 1.17 C ATOM 156 CG LYS A 787 3.849 12.926 -5.755 1.00 1.21 C ATOM 157 CD LYS A 787 2.733 12.431 -6.666 1.00 1.35 C ATOM 158 CE LYS A 787 1.361 12.698 -6.061 1.00 1.27 C ATOM 159 NZ LYS A 787 0.260 12.404 -7.018 1.00 1.80 N ATOM 0 H LYS A 787 3.961 10.575 -6.786 1.00 0.91 H new ATOM 0 HA LYS A 787 6.746 11.077 -6.474 1.00 1.01 H new ATOM 0 HB2 LYS A 787 5.937 13.375 -5.939 1.00 1.17 H new ATOM 0 HB3 LYS A 787 5.207 12.747 -7.403 1.00 1.17 H new ATOM 0 HG2 LYS A 787 3.750 12.456 -4.776 1.00 1.21 H new ATOM 0 HG3 LYS A 787 3.742 14.000 -5.605 1.00 1.21 H new ATOM 0 HD2 LYS A 787 2.807 12.924 -7.635 1.00 1.35 H new ATOM 0 HD3 LYS A 787 2.853 11.362 -6.842 1.00 1.35 H new ATOM 0 HE2 LYS A 787 1.235 12.089 -5.166 1.00 1.27 H new ATOM 0 HE3 LYS A 787 1.300 13.740 -5.748 1.00 1.27 H new ATOM 0 HZ1 LYS A 787 -0.624 12.830 -6.672 1.00 1.80 H new ATOM 0 HZ2 LYS A 787 0.495 12.802 -7.950 1.00 1.80 H new ATOM 0 HZ3 LYS A 787 0.138 11.375 -7.102 1.00 1.80 H new ATOM 173 N VAL A 788 6.366 9.905 -4.029 1.00 0.66 N ATOM 174 CA VAL A 788 6.657 9.645 -2.620 1.00 0.61 C ATOM 175 C VAL A 788 5.431 9.919 -1.752 1.00 0.70 C ATOM 176 O VAL A 788 5.277 10.999 -1.178 1.00 1.70 O ATOM 177 CB VAL A 788 7.862 10.471 -2.111 1.00 0.70 C ATOM 178 CG1 VAL A 788 8.241 10.059 -0.696 1.00 0.87 C ATOM 179 CG2 VAL A 788 9.047 10.312 -3.050 1.00 1.21 C ATOM 0 H VAL A 788 6.467 9.088 -4.631 1.00 0.66 H new ATOM 0 HA VAL A 788 6.921 8.590 -2.542 1.00 0.61 H new ATOM 0 HB VAL A 788 7.573 11.522 -2.092 1.00 0.70 H new ATOM 0 HG11 VAL A 788 9.091 10.653 -0.359 1.00 0.87 H new ATOM 0 HG12 VAL A 788 7.395 10.226 -0.030 1.00 0.87 H new ATOM 0 HG13 VAL A 788 8.510 9.003 -0.684 1.00 0.87 H new ATOM 0 HG21 VAL A 788 9.887 10.899 -2.679 1.00 1.21 H new ATOM 0 HG22 VAL A 788 9.333 9.261 -3.101 1.00 1.21 H new ATOM 0 HG23 VAL A 788 8.772 10.661 -4.045 1.00 1.21 H new ATOM 189 N TRP A 789 4.526 8.956 -1.732 1.00 0.50 N ATOM 190 CA TRP A 789 3.281 9.073 -0.989 1.00 0.33 C ATOM 191 C TRP A 789 3.533 9.202 0.509 1.00 0.29 C ATOM 192 O TRP A 789 4.227 8.376 1.098 1.00 0.34 O ATOM 193 CB TRP A 789 2.420 7.845 -1.257 1.00 0.32 C ATOM 194 CG TRP A 789 1.833 7.815 -2.632 1.00 0.34 C ATOM 195 CD1 TRP A 789 1.607 8.880 -3.455 1.00 0.39 C ATOM 196 CD2 TRP A 789 1.408 6.657 -3.347 1.00 0.34 C ATOM 197 NE1 TRP A 789 1.037 8.453 -4.627 1.00 0.42 N ATOM 198 CE2 TRP A 789 0.907 7.093 -4.584 1.00 0.39 C ATOM 199 CE3 TRP A 789 1.393 5.291 -3.057 1.00 0.34 C ATOM 200 CZ2 TRP A 789 0.396 6.211 -5.525 1.00 0.44 C ATOM 201 CZ3 TRP A 789 0.888 4.419 -3.996 1.00 0.40 C ATOM 202 CH2 TRP A 789 0.394 4.884 -5.217 1.00 0.44 C ATOM 0 H TRP A 789 4.632 8.072 -2.229 1.00 0.50 H new ATOM 0 HA TRP A 789 2.768 9.975 -1.322 1.00 0.33 H new ATOM 0 HB2 TRP A 789 3.023 6.949 -1.109 1.00 0.32 H new ATOM 0 HB3 TRP A 789 1.613 7.811 -0.525 1.00 0.32 H new ATOM 0 HD1 TRP A 789 1.842 9.907 -3.218 1.00 0.39 H new ATOM 0 HE1 TRP A 789 0.756 9.052 -5.403 1.00 0.42 H new ATOM 0 HE3 TRP A 789 1.770 4.925 -2.114 1.00 0.34 H new ATOM 0 HZ2 TRP A 789 0.012 6.565 -6.471 1.00 0.44 H new ATOM 0 HZ3 TRP A 789 0.874 3.360 -3.785 1.00 0.40 H new ATOM 0 HH2 TRP A 789 0.002 4.176 -5.932 1.00 0.44 H new ATOM 213 N ASN A 790 2.918 10.198 1.129 1.00 0.29 N ATOM 214 CA ASN A 790 3.063 10.418 2.564 1.00 0.32 C ATOM 215 C ASN A 790 2.061 9.566 3.349 1.00 0.37 C ATOM 216 O ASN A 790 1.404 10.055 4.270 1.00 0.82 O ATOM 217 CB ASN A 790 2.870 11.902 2.889 1.00 0.39 C ATOM 218 CG ASN A 790 3.484 12.290 4.219 1.00 1.20 C ATOM 219 OD1 ASN A 790 4.693 12.168 4.415 1.00 2.06 O ATOM 220 ND2 ASN A 790 2.660 12.766 5.136 1.00 1.79 N ATOM 0 H ASN A 790 2.311 10.870 0.660 1.00 0.29 H new ATOM 0 HA ASN A 790 4.068 10.118 2.860 1.00 0.32 H new ATOM 0 HB2 ASN A 790 3.315 12.505 2.097 1.00 0.39 H new ATOM 0 HB3 ASN A 790 1.805 12.132 2.904 1.00 0.39 H new ATOM 0 HD21 ASN A 790 3.020 13.049 6.048 1.00 1.79 H new ATOM 0 HD22 ASN A 790 1.664 12.851 4.932 1.00 1.79 H new ATOM 227 N PHE A 791 1.930 8.301 2.935 1.00 0.30 N ATOM 228 CA PHE A 791 1.003 7.331 3.542 1.00 0.25 C ATOM 229 C PHE A 791 -0.454 7.676 3.242 1.00 0.23 C ATOM 230 O PHE A 791 -1.185 6.856 2.698 1.00 0.21 O ATOM 231 CB PHE A 791 1.232 7.219 5.053 1.00 0.28 C ATOM 232 CG PHE A 791 0.282 6.287 5.757 1.00 0.30 C ATOM 233 CD1 PHE A 791 0.143 4.967 5.351 1.00 0.30 C ATOM 234 CD2 PHE A 791 -0.465 6.732 6.836 1.00 0.42 C ATOM 235 CE1 PHE A 791 -0.725 4.113 6.008 1.00 0.36 C ATOM 236 CE2 PHE A 791 -1.332 5.883 7.495 1.00 0.47 C ATOM 237 CZ PHE A 791 -1.464 4.573 7.081 1.00 0.42 C ATOM 0 H PHE A 791 2.469 7.914 2.160 1.00 0.30 H new ATOM 0 HA PHE A 791 1.212 6.361 3.091 1.00 0.25 H new ATOM 0 HB2 PHE A 791 2.253 6.880 5.230 1.00 0.28 H new ATOM 0 HB3 PHE A 791 1.144 8.211 5.496 1.00 0.28 H new ATOM 0 HD1 PHE A 791 0.719 4.603 4.513 1.00 0.30 H new ATOM 0 HD2 PHE A 791 -0.368 7.756 7.166 1.00 0.42 H new ATOM 0 HE1 PHE A 791 -0.825 3.088 5.683 1.00 0.36 H new ATOM 0 HE2 PHE A 791 -1.907 6.244 8.335 1.00 0.47 H new ATOM 0 HZ PHE A 791 -2.143 3.909 7.595 1.00 0.42 H new ATOM 247 N ASP A 792 -0.852 8.906 3.540 1.00 0.26 N ATOM 248 CA ASP A 792 -2.206 9.368 3.256 1.00 0.29 C ATOM 249 C ASP A 792 -2.473 9.335 1.761 1.00 0.25 C ATOM 250 O ASP A 792 -3.512 8.858 1.321 1.00 0.26 O ATOM 251 CB ASP A 792 -2.417 10.784 3.791 1.00 0.38 C ATOM 252 CG ASP A 792 -2.471 10.828 5.304 1.00 1.13 C ATOM 253 OD1 ASP A 792 -3.415 10.254 5.885 1.00 1.74 O ATOM 254 OD2 ASP A 792 -1.575 11.442 5.918 1.00 1.86 O ATOM 0 H ASP A 792 -0.254 9.605 3.980 1.00 0.26 H new ATOM 0 HA ASP A 792 -2.906 8.698 3.756 1.00 0.29 H new ATOM 0 HB2 ASP A 792 -1.609 11.426 3.440 1.00 0.38 H new ATOM 0 HB3 ASP A 792 -3.344 11.188 3.385 1.00 0.38 H new ATOM 259 N ASP A 793 -1.476 9.750 0.984 1.00 0.24 N ATOM 260 CA ASP A 793 -1.553 9.702 -0.475 1.00 0.23 C ATOM 261 C ASP A 793 -1.750 8.269 -0.938 1.00 0.19 C ATOM 262 O ASP A 793 -2.567 7.982 -1.811 1.00 0.18 O ATOM 263 CB ASP A 793 -0.265 10.233 -1.105 1.00 0.28 C ATOM 264 CG ASP A 793 0.079 11.639 -0.688 1.00 0.75 C ATOM 265 OD1 ASP A 793 -0.732 12.546 -0.953 1.00 1.16 O ATOM 266 OD2 ASP A 793 1.149 11.839 -0.081 1.00 1.36 O ATOM 0 H ASP A 793 -0.599 10.126 1.343 1.00 0.24 H new ATOM 0 HA ASP A 793 -2.395 10.322 -0.784 1.00 0.23 H new ATOM 0 HB2 ASP A 793 0.559 9.572 -0.837 1.00 0.28 H new ATOM 0 HB3 ASP A 793 -0.361 10.199 -2.190 1.00 0.28 H new ATOM 271 N LEU A 794 -0.990 7.381 -0.318 1.00 0.18 N ATOM 272 CA LEU A 794 -1.034 5.962 -0.613 1.00 0.17 C ATOM 273 C LEU A 794 -2.399 5.379 -0.252 1.00 0.16 C ATOM 274 O LEU A 794 -3.019 4.699 -1.066 1.00 0.16 O ATOM 275 CB LEU A 794 0.116 5.275 0.141 1.00 0.19 C ATOM 276 CG LEU A 794 -0.097 3.816 0.544 1.00 0.19 C ATOM 277 CD1 LEU A 794 -0.160 2.915 -0.680 1.00 0.22 C ATOM 278 CD2 LEU A 794 1.009 3.360 1.482 1.00 0.22 C ATOM 0 H LEU A 794 -0.320 7.629 0.410 1.00 0.18 H new ATOM 0 HA LEU A 794 -0.902 5.790 -1.681 1.00 0.17 H new ATOM 0 HB2 LEU A 794 1.009 5.328 -0.481 1.00 0.19 H new ATOM 0 HB3 LEU A 794 0.321 5.850 1.044 1.00 0.19 H new ATOM 0 HG LEU A 794 -1.051 3.744 1.066 1.00 0.19 H new ATOM 0 HD11 LEU A 794 -0.312 1.883 -0.365 1.00 0.22 H new ATOM 0 HD12 LEU A 794 -0.988 3.225 -1.318 1.00 0.22 H new ATOM 0 HD13 LEU A 794 0.775 2.991 -1.236 1.00 0.22 H new ATOM 0 HD21 LEU A 794 0.844 2.319 1.760 1.00 0.22 H new ATOM 0 HD22 LEU A 794 1.972 3.453 0.981 1.00 0.22 H new ATOM 0 HD23 LEU A 794 1.005 3.980 2.378 1.00 0.22 H new ATOM 290 N ILE A 795 -2.901 5.729 0.925 1.00 0.18 N ATOM 291 CA ILE A 795 -4.222 5.287 1.356 1.00 0.20 C ATOM 292 C ILE A 795 -5.317 5.861 0.457 1.00 0.19 C ATOM 293 O ILE A 795 -6.232 5.146 0.069 1.00 0.20 O ATOM 294 CB ILE A 795 -4.492 5.653 2.835 1.00 0.28 C ATOM 295 CG1 ILE A 795 -3.587 4.821 3.747 1.00 0.51 C ATOM 296 CG2 ILE A 795 -5.955 5.440 3.201 1.00 0.51 C ATOM 297 CD1 ILE A 795 -3.754 3.322 3.566 1.00 0.48 C ATOM 0 H ILE A 795 -2.413 6.318 1.600 1.00 0.18 H new ATOM 0 HA ILE A 795 -4.240 4.201 1.270 1.00 0.20 H new ATOM 0 HB ILE A 795 -4.268 6.711 2.973 1.00 0.28 H new ATOM 0 HG12 ILE A 795 -2.548 5.088 3.555 1.00 0.51 H new ATOM 0 HG13 ILE A 795 -3.796 5.079 4.785 1.00 0.51 H new ATOM 0 HG21 ILE A 795 -6.111 5.706 4.246 1.00 0.51 H new ATOM 0 HG22 ILE A 795 -6.583 6.068 2.569 1.00 0.51 H new ATOM 0 HG23 ILE A 795 -6.219 4.393 3.050 1.00 0.51 H new ATOM 0 HD11 ILE A 795 -3.082 2.796 4.244 1.00 0.48 H new ATOM 0 HD12 ILE A 795 -4.784 3.041 3.786 1.00 0.48 H new ATOM 0 HD13 ILE A 795 -3.516 3.051 2.537 1.00 0.48 H new ATOM 309 N MET A 796 -5.178 7.127 0.073 1.00 0.22 N ATOM 310 CA MET A 796 -6.131 7.765 -0.837 1.00 0.26 C ATOM 311 C MET A 796 -6.179 7.030 -2.171 1.00 0.22 C ATOM 312 O MET A 796 -7.260 6.739 -2.693 1.00 0.23 O ATOM 313 CB MET A 796 -5.761 9.230 -1.076 1.00 0.38 C ATOM 314 CG MET A 796 -6.015 10.133 0.119 1.00 0.93 C ATOM 315 SD MET A 796 -5.471 11.828 -0.166 1.00 2.03 S ATOM 316 CE MET A 796 -6.500 12.285 -1.560 1.00 2.69 C ATOM 0 H MET A 796 -4.416 7.733 0.376 1.00 0.22 H new ATOM 0 HA MET A 796 -7.114 7.720 -0.369 1.00 0.26 H new ATOM 0 HB2 MET A 796 -4.706 9.289 -1.345 1.00 0.38 H new ATOM 0 HB3 MET A 796 -6.329 9.603 -1.928 1.00 0.38 H new ATOM 0 HG2 MET A 796 -7.080 10.131 0.351 1.00 0.93 H new ATOM 0 HG3 MET A 796 -5.498 9.731 0.990 1.00 0.93 H new ATOM 0 HE1 MET A 796 -6.524 13.371 -1.654 1.00 2.69 H new ATOM 0 HE2 MET A 796 -6.091 11.850 -2.472 1.00 2.69 H new ATOM 0 HE3 MET A 796 -7.512 11.912 -1.403 1.00 2.69 H new ATOM 326 N ALA A 797 -5.004 6.698 -2.692 1.00 0.21 N ATOM 327 CA ALA A 797 -4.897 5.954 -3.939 1.00 0.22 C ATOM 328 C ALA A 797 -5.562 4.593 -3.799 1.00 0.21 C ATOM 329 O ALA A 797 -6.395 4.207 -4.624 1.00 0.26 O ATOM 330 CB ALA A 797 -3.437 5.794 -4.334 1.00 0.27 C ATOM 0 H ALA A 797 -4.108 6.934 -2.267 1.00 0.21 H new ATOM 0 HA ALA A 797 -5.409 6.511 -4.724 1.00 0.22 H new ATOM 0 HB1 ALA A 797 -3.372 5.236 -5.268 1.00 0.27 H new ATOM 0 HB2 ALA A 797 -2.986 6.777 -4.467 1.00 0.27 H new ATOM 0 HB3 ALA A 797 -2.905 5.254 -3.551 1.00 0.27 H new ATOM 336 N ILE A 798 -5.261 3.922 -2.691 1.00 0.20 N ATOM 337 CA ILE A 798 -5.877 2.644 -2.371 1.00 0.26 C ATOM 338 C ILE A 798 -7.394 2.783 -2.279 1.00 0.27 C ATOM 339 O ILE A 798 -8.132 2.057 -2.937 1.00 0.33 O ATOM 340 CB ILE A 798 -5.341 2.086 -1.030 1.00 0.31 C ATOM 341 CG1 ILE A 798 -3.853 1.757 -1.135 1.00 0.32 C ATOM 342 CG2 ILE A 798 -6.117 0.848 -0.617 1.00 0.43 C ATOM 343 CD1 ILE A 798 -3.245 1.272 0.165 1.00 0.67 C ATOM 0 H ILE A 798 -4.589 4.248 -1.997 1.00 0.20 H new ATOM 0 HA ILE A 798 -5.622 1.952 -3.173 1.00 0.26 H new ATOM 0 HB ILE A 798 -5.475 2.855 -0.269 1.00 0.31 H new ATOM 0 HG12 ILE A 798 -3.712 0.993 -1.900 1.00 0.32 H new ATOM 0 HG13 ILE A 798 -3.316 2.645 -1.468 1.00 0.32 H new ATOM 0 HG21 ILE A 798 -5.725 0.471 0.328 1.00 0.43 H new ATOM 0 HG22 ILE A 798 -7.170 1.102 -0.497 1.00 0.43 H new ATOM 0 HG23 ILE A 798 -6.014 0.081 -1.384 1.00 0.43 H new ATOM 0 HD11 ILE A 798 -2.187 1.058 0.014 1.00 0.67 H new ATOM 0 HD12 ILE A 798 -3.354 2.043 0.928 1.00 0.67 H new ATOM 0 HD13 ILE A 798 -3.756 0.366 0.490 1.00 0.67 H new ATOM 355 N ASN A 799 -7.840 3.735 -1.468 1.00 0.27 N ATOM 356 CA ASN A 799 -9.262 3.971 -1.234 1.00 0.33 C ATOM 357 C ASN A 799 -10.035 4.138 -2.537 1.00 0.31 C ATOM 358 O ASN A 799 -11.095 3.537 -2.715 1.00 0.40 O ATOM 359 CB ASN A 799 -9.457 5.211 -0.353 1.00 0.40 C ATOM 360 CG ASN A 799 -9.165 4.950 1.118 1.00 0.55 C ATOM 361 OD1 ASN A 799 -8.956 3.690 1.477 1.00 1.21 O flip ATOM 362 ND2 ASN A 799 -9.153 5.872 1.933 1.00 0.70 N flip ATOM 0 H ASN A 799 -7.226 4.366 -0.953 1.00 0.27 H new ATOM 0 HA ASN A 799 -9.656 3.093 -0.723 1.00 0.33 H new ATOM 0 HB2 ASN A 799 -8.806 6.009 -0.710 1.00 0.40 H new ATOM 0 HB3 ASN A 799 -10.483 5.565 -0.456 1.00 0.40 H new ATOM 0 HD21 ASN A 799 -9.318 6.829 1.622 1.00 0.70 H new ATOM 0 HD22 ASN A 799 -8.978 5.679 2.919 1.00 0.70 H new ATOM 369 N SER A 800 -9.485 4.924 -3.450 1.00 0.30 N ATOM 370 CA SER A 800 -10.116 5.146 -4.738 1.00 0.35 C ATOM 371 C SER A 800 -10.157 3.855 -5.553 1.00 0.33 C ATOM 372 O SER A 800 -11.191 3.485 -6.096 1.00 0.41 O ATOM 373 CB SER A 800 -9.363 6.235 -5.512 1.00 0.44 C ATOM 374 OG SER A 800 -10.007 6.540 -6.740 1.00 1.29 O ATOM 0 H SER A 800 -8.602 5.418 -3.321 1.00 0.30 H new ATOM 0 HA SER A 800 -11.141 5.475 -4.566 1.00 0.35 H new ATOM 0 HB2 SER A 800 -9.295 7.136 -4.902 1.00 0.44 H new ATOM 0 HB3 SER A 800 -8.343 5.905 -5.707 1.00 0.44 H new ATOM 0 HG SER A 800 -9.504 7.238 -7.209 1.00 1.29 H new ATOM 380 N LYS A 801 -9.018 3.193 -5.669 1.00 0.29 N ATOM 381 CA LYS A 801 -8.909 1.997 -6.493 1.00 0.36 C ATOM 382 C LYS A 801 -9.697 0.808 -5.939 1.00 0.43 C ATOM 383 O LYS A 801 -10.152 -0.040 -6.710 1.00 0.58 O ATOM 384 CB LYS A 801 -7.449 1.624 -6.697 1.00 0.43 C ATOM 385 CG LYS A 801 -6.769 2.471 -7.756 1.00 0.86 C ATOM 386 CD LYS A 801 -5.330 2.051 -7.977 1.00 1.06 C ATOM 387 CE LYS A 801 -4.790 2.587 -9.294 1.00 1.13 C ATOM 388 NZ LYS A 801 -4.978 4.056 -9.423 1.00 1.95 N ATOM 0 H LYS A 801 -8.152 3.463 -5.202 1.00 0.29 H new ATOM 0 HA LYS A 801 -9.358 2.241 -7.456 1.00 0.36 H new ATOM 0 HB2 LYS A 801 -6.915 1.733 -5.753 1.00 0.43 H new ATOM 0 HB3 LYS A 801 -7.383 0.574 -6.981 1.00 0.43 H new ATOM 0 HG2 LYS A 801 -7.319 2.390 -8.694 1.00 0.86 H new ATOM 0 HG3 LYS A 801 -6.800 3.519 -7.458 1.00 0.86 H new ATOM 0 HD2 LYS A 801 -4.713 2.414 -7.155 1.00 1.06 H new ATOM 0 HD3 LYS A 801 -5.262 0.963 -7.970 1.00 1.06 H new ATOM 0 HE2 LYS A 801 -3.729 2.350 -9.373 1.00 1.13 H new ATOM 0 HE3 LYS A 801 -5.291 2.084 -10.121 1.00 1.13 H new ATOM 0 HZ1 LYS A 801 -4.410 4.410 -10.219 1.00 1.95 H new ATOM 0 HZ2 LYS A 801 -5.982 4.264 -9.596 1.00 1.95 H new ATOM 0 HZ3 LYS A 801 -4.674 4.523 -8.545 1.00 1.95 H new ATOM 402 N ILE A 802 -9.736 0.667 -4.615 1.00 0.39 N ATOM 403 CA ILE A 802 -10.367 -0.498 -3.995 1.00 0.52 C ATOM 404 C ILE A 802 -11.831 -0.648 -4.415 1.00 0.70 C ATOM 405 O ILE A 802 -12.227 -1.710 -4.896 1.00 1.56 O ATOM 406 CB ILE A 802 -10.286 -0.458 -2.446 1.00 0.54 C ATOM 407 CG1 ILE A 802 -8.837 -0.610 -1.972 1.00 0.64 C ATOM 408 CG2 ILE A 802 -11.154 -1.547 -1.822 1.00 0.71 C ATOM 409 CD1 ILE A 802 -8.179 -1.911 -2.382 1.00 0.71 C ATOM 0 H ILE A 802 -9.342 1.338 -3.956 1.00 0.39 H new ATOM 0 HA ILE A 802 -9.804 -1.360 -4.352 1.00 0.52 H new ATOM 0 HB ILE A 802 -10.662 0.512 -2.122 1.00 0.54 H new ATOM 0 HG12 ILE A 802 -8.250 0.220 -2.365 1.00 0.64 H new ATOM 0 HG13 ILE A 802 -8.813 -0.531 -0.885 1.00 0.64 H new ATOM 0 HG21 ILE A 802 -11.078 -1.495 -0.736 1.00 0.71 H new ATOM 0 HG22 ILE A 802 -12.192 -1.400 -2.120 1.00 0.71 H new ATOM 0 HG23 ILE A 802 -10.813 -2.524 -2.163 1.00 0.71 H new ATOM 0 HD11 ILE A 802 -7.156 -1.936 -2.006 1.00 0.71 H new ATOM 0 HD12 ILE A 802 -8.739 -2.749 -1.967 1.00 0.71 H new ATOM 0 HD13 ILE A 802 -8.167 -1.986 -3.469 1.00 0.71 H new ATOM 550 N PRO A 812 -9.477 0.228 3.691 1.00 0.88 N ATOM 551 CA PRO A 812 -8.900 -1.078 3.386 1.00 0.80 C ATOM 552 C PRO A 812 -8.815 -1.927 4.645 1.00 0.77 C ATOM 553 O PRO A 812 -7.724 -2.277 5.105 1.00 0.82 O ATOM 554 CB PRO A 812 -7.500 -0.747 2.839 1.00 0.77 C ATOM 555 CG PRO A 812 -7.391 0.747 2.856 1.00 0.75 C ATOM 556 CD PRO A 812 -8.431 1.238 3.821 1.00 0.82 C ATOM 0 HA PRO A 812 -9.494 -1.653 2.676 1.00 0.80 H new ATOM 0 HB2 PRO A 812 -6.724 -1.202 3.454 1.00 0.77 H new ATOM 0 HB3 PRO A 812 -7.374 -1.136 1.828 1.00 0.77 H new ATOM 0 HG2 PRO A 812 -6.394 1.060 3.167 1.00 0.75 H new ATOM 0 HG3 PRO A 812 -7.559 1.160 1.861 1.00 0.75 H new ATOM 0 HD2 PRO A 812 -8.046 1.296 4.839 1.00 0.82 H new ATOM 0 HD3 PRO A 812 -8.791 2.233 3.559 1.00 0.82 H new ATOM 564 N ILE A 813 -9.970 -2.062 5.290 1.00 0.87 N ATOM 565 CA ILE A 813 -10.082 -2.630 6.621 1.00 0.96 C ATOM 566 C ILE A 813 -9.482 -1.656 7.628 1.00 0.96 C ATOM 567 O ILE A 813 -10.214 -0.889 8.256 1.00 1.64 O ATOM 568 CB ILE A 813 -9.398 -4.019 6.749 1.00 1.06 C ATOM 569 CG1 ILE A 813 -9.986 -5.006 5.732 1.00 1.46 C ATOM 570 CG2 ILE A 813 -9.550 -4.566 8.163 1.00 1.22 C ATOM 571 CD1 ILE A 813 -11.465 -5.271 5.917 1.00 1.67 C ATOM 0 H ILE A 813 -10.865 -1.774 4.893 1.00 0.87 H new ATOM 0 HA ILE A 813 -11.141 -2.789 6.823 1.00 0.96 H new ATOM 0 HB ILE A 813 -8.336 -3.895 6.539 1.00 1.06 H new ATOM 0 HG12 ILE A 813 -9.819 -4.619 4.727 1.00 1.46 H new ATOM 0 HG13 ILE A 813 -9.446 -5.950 5.803 1.00 1.46 H new ATOM 0 HG21 ILE A 813 -9.064 -5.539 8.231 1.00 1.22 H new ATOM 0 HG22 ILE A 813 -9.086 -3.879 8.871 1.00 1.22 H new ATOM 0 HG23 ILE A 813 -10.609 -4.672 8.400 1.00 1.22 H new ATOM 0 HD11 ILE A 813 -11.805 -5.978 5.160 1.00 1.67 H new ATOM 0 HD12 ILE A 813 -11.638 -5.689 6.909 1.00 1.67 H new ATOM 0 HD13 ILE A 813 -12.018 -4.337 5.815 1.00 1.67 H new ATOM 583 N THR A 814 -8.147 -1.594 7.634 1.00 0.83 N ATOM 584 CA THR A 814 -7.354 -0.681 8.462 1.00 0.84 C ATOM 585 C THR A 814 -6.023 -1.358 8.778 1.00 0.71 C ATOM 586 O THR A 814 -5.033 -0.709 9.107 1.00 1.08 O ATOM 587 CB THR A 814 -8.057 -0.286 9.787 1.00 1.10 C ATOM 588 OG1 THR A 814 -7.236 0.608 10.552 1.00 1.03 O ATOM 589 CG2 THR A 814 -8.382 -1.521 10.610 1.00 1.90 C ATOM 0 H THR A 814 -7.571 -2.196 7.045 1.00 0.83 H new ATOM 0 HA THR A 814 -7.215 0.241 7.898 1.00 0.84 H new ATOM 0 HB THR A 814 -8.987 0.223 9.534 1.00 1.10 H new ATOM 0 HG1 THR A 814 -7.698 0.846 11.383 1.00 1.03 H new ATOM 0 HG21 THR A 814 -8.875 -1.222 11.535 1.00 1.90 H new ATOM 0 HG22 THR A 814 -9.044 -2.174 10.041 1.00 1.90 H new ATOM 0 HG23 THR A 814 -7.461 -2.054 10.845 1.00 1.90 H new ATOM 597 N LYS A 815 -6.050 -2.689 8.723 1.00 0.61 N ATOM 598 CA LYS A 815 -4.899 -3.519 9.053 1.00 0.82 C ATOM 599 C LYS A 815 -3.772 -3.331 8.044 1.00 0.88 C ATOM 600 O LYS A 815 -2.657 -2.993 8.422 1.00 1.68 O ATOM 601 CB LYS A 815 -5.327 -4.985 9.076 1.00 1.16 C ATOM 602 CG LYS A 815 -6.453 -5.277 10.052 1.00 1.29 C ATOM 603 CD LYS A 815 -5.932 -5.771 11.389 1.00 1.45 C ATOM 604 CE LYS A 815 -5.212 -4.673 12.153 1.00 1.74 C ATOM 605 NZ LYS A 815 -6.152 -3.658 12.702 1.00 2.52 N ATOM 0 H LYS A 815 -6.875 -3.221 8.447 1.00 0.61 H new ATOM 0 HA LYS A 815 -4.528 -3.220 10.033 1.00 0.82 H new ATOM 0 HB2 LYS A 815 -5.641 -5.278 8.074 1.00 1.16 H new ATOM 0 HB3 LYS A 815 -4.466 -5.602 9.333 1.00 1.16 H new ATOM 0 HG2 LYS A 815 -7.044 -4.374 10.204 1.00 1.29 H new ATOM 0 HG3 LYS A 815 -7.119 -6.026 9.623 1.00 1.29 H new ATOM 0 HD2 LYS A 815 -6.763 -6.146 11.987 1.00 1.45 H new ATOM 0 HD3 LYS A 815 -5.252 -6.608 11.228 1.00 1.45 H new ATOM 0 HE2 LYS A 815 -4.641 -5.116 12.969 1.00 1.74 H new ATOM 0 HE3 LYS A 815 -4.496 -4.183 11.493 1.00 1.74 H new ATOM 0 HZ1 LYS A 815 -5.805 -2.704 12.474 1.00 2.52 H new ATOM 0 HZ2 LYS A 815 -7.094 -3.794 12.282 1.00 2.52 H new ATOM 0 HZ3 LYS A 815 -6.215 -3.765 13.735 1.00 2.52 H new ATOM 619 N ILE A 816 -4.118 -3.528 6.766 1.00 0.43 N ATOM 620 CA ILE A 816 -3.222 -3.370 5.604 1.00 0.34 C ATOM 621 C ILE A 816 -1.834 -4.029 5.726 1.00 0.30 C ATOM 622 O ILE A 816 -1.041 -3.777 6.641 1.00 0.33 O ATOM 623 CB ILE A 816 -3.071 -1.901 5.135 1.00 0.39 C ATOM 624 CG1 ILE A 816 -2.744 -0.950 6.295 1.00 0.63 C ATOM 625 CG2 ILE A 816 -4.336 -1.453 4.418 1.00 0.55 C ATOM 626 CD1 ILE A 816 -2.761 0.517 5.913 1.00 1.06 C ATOM 0 H ILE A 816 -5.061 -3.812 6.499 1.00 0.43 H new ATOM 0 HA ILE A 816 -3.754 -3.933 4.837 1.00 0.34 H new ATOM 0 HB ILE A 816 -2.229 -1.861 4.444 1.00 0.39 H new ATOM 0 HG12 ILE A 816 -3.462 -1.114 7.099 1.00 0.63 H new ATOM 0 HG13 ILE A 816 -1.760 -1.201 6.690 1.00 0.63 H new ATOM 0 HG21 ILE A 816 -4.222 -0.419 4.091 1.00 0.55 H new ATOM 0 HG22 ILE A 816 -4.508 -2.091 3.551 1.00 0.55 H new ATOM 0 HG23 ILE A 816 -5.185 -1.527 5.097 1.00 0.55 H new ATOM 0 HD11 ILE A 816 -2.520 1.123 6.786 1.00 1.06 H new ATOM 0 HD12 ILE A 816 -2.023 0.698 5.131 1.00 1.06 H new ATOM 0 HD13 ILE A 816 -3.752 0.786 5.546 1.00 1.06 H new ATOM 638 N LYS A 817 -1.493 -4.717 4.653 1.00 0.26 N ATOM 639 CA LYS A 817 -0.186 -5.328 4.473 1.00 0.24 C ATOM 640 C LYS A 817 0.374 -4.882 3.142 1.00 0.23 C ATOM 641 O LYS A 817 -0.381 -4.679 2.196 1.00 0.24 O ATOM 642 CB LYS A 817 -0.258 -6.857 4.482 1.00 0.33 C ATOM 643 CG LYS A 817 -0.436 -7.466 5.855 1.00 0.74 C ATOM 644 CD LYS A 817 -0.286 -8.981 5.816 1.00 0.68 C ATOM 645 CE LYS A 817 -0.599 -9.608 7.164 1.00 1.18 C ATOM 646 NZ LYS A 817 -0.148 -11.023 7.244 1.00 1.35 N ATOM 0 H LYS A 817 -2.126 -4.871 3.868 1.00 0.26 H new ATOM 0 HA LYS A 817 0.449 -5.015 5.302 1.00 0.24 H new ATOM 0 HB2 LYS A 817 -1.086 -7.173 3.847 1.00 0.33 H new ATOM 0 HB3 LYS A 817 0.654 -7.254 4.037 1.00 0.33 H new ATOM 0 HG2 LYS A 817 0.299 -7.044 6.540 1.00 0.74 H new ATOM 0 HG3 LYS A 817 -1.420 -7.206 6.245 1.00 0.74 H new ATOM 0 HD2 LYS A 817 -0.952 -9.394 5.058 1.00 0.68 H new ATOM 0 HD3 LYS A 817 0.731 -9.239 5.521 1.00 0.68 H new ATOM 0 HE2 LYS A 817 -0.117 -9.030 7.952 1.00 1.18 H new ATOM 0 HE3 LYS A 817 -1.673 -9.560 7.345 1.00 1.18 H new ATOM 0 HZ1 LYS A 817 -0.382 -11.410 8.181 1.00 1.35 H new ATOM 0 HZ2 LYS A 817 -0.627 -11.582 6.509 1.00 1.35 H new ATOM 0 HZ3 LYS A 817 0.881 -11.068 7.098 1.00 1.35 H new ATOM 660 N TYR A 818 1.676 -4.737 3.060 1.00 0.20 N ATOM 661 CA TYR A 818 2.290 -4.302 1.831 1.00 0.19 C ATOM 662 C TYR A 818 3.366 -5.292 1.429 1.00 0.18 C ATOM 663 O TYR A 818 3.962 -5.963 2.271 1.00 0.19 O ATOM 664 CB TYR A 818 2.871 -2.883 1.978 1.00 0.20 C ATOM 665 CG TYR A 818 4.287 -2.818 2.524 1.00 0.20 C ATOM 666 CD1 TYR A 818 5.384 -2.959 1.682 1.00 0.23 C ATOM 667 CD2 TYR A 818 4.525 -2.620 3.874 1.00 0.25 C ATOM 668 CE1 TYR A 818 6.672 -2.912 2.170 1.00 0.25 C ATOM 669 CE2 TYR A 818 5.813 -2.565 4.371 1.00 0.27 C ATOM 670 CZ TYR A 818 6.884 -2.711 3.516 1.00 0.26 C ATOM 671 OH TYR A 818 8.170 -2.663 4.008 1.00 0.30 O ATOM 0 H TYR A 818 2.326 -4.913 3.826 1.00 0.20 H new ATOM 0 HA TYR A 818 1.533 -4.264 1.048 1.00 0.19 H new ATOM 0 HB2 TYR A 818 2.852 -2.397 1.003 1.00 0.20 H new ATOM 0 HB3 TYR A 818 2.219 -2.307 2.634 1.00 0.20 H new ATOM 0 HD1 TYR A 818 5.224 -3.108 0.624 1.00 0.23 H new ATOM 0 HD2 TYR A 818 3.690 -2.507 4.549 1.00 0.25 H new ATOM 0 HE1 TYR A 818 7.511 -3.032 1.500 1.00 0.25 H new ATOM 0 HE2 TYR A 818 5.980 -2.408 5.426 1.00 0.27 H new ATOM 0 HH TYR A 818 8.144 -2.514 4.976 1.00 0.30 H new ATOM 681 N GLN A 819 3.495 -5.474 0.137 1.00 0.17 N ATOM 682 CA GLN A 819 4.394 -6.461 -0.418 1.00 0.19 C ATOM 683 C GLN A 819 5.288 -5.812 -1.450 1.00 0.19 C ATOM 684 O GLN A 819 4.880 -4.869 -2.127 1.00 0.18 O ATOM 685 CB GLN A 819 3.599 -7.626 -1.035 1.00 0.22 C ATOM 686 CG GLN A 819 4.350 -8.398 -2.118 1.00 0.35 C ATOM 687 CD GLN A 819 3.718 -9.736 -2.453 1.00 0.45 C ATOM 688 OE1 GLN A 819 3.873 -10.706 -1.722 1.00 1.08 O ATOM 689 NE2 GLN A 819 3.012 -9.800 -3.569 1.00 0.90 N ATOM 0 H GLN A 819 2.979 -4.941 -0.563 1.00 0.17 H new ATOM 0 HA GLN A 819 5.017 -6.866 0.379 1.00 0.19 H new ATOM 0 HB2 GLN A 819 3.317 -8.318 -0.242 1.00 0.22 H new ATOM 0 HB3 GLN A 819 2.675 -7.235 -1.460 1.00 0.22 H new ATOM 0 HG2 GLN A 819 4.396 -7.790 -3.021 1.00 0.35 H new ATOM 0 HG3 GLN A 819 5.377 -8.561 -1.791 1.00 0.35 H new ATOM 0 HE21 GLN A 819 2.905 -8.971 -4.153 1.00 0.90 H new ATOM 0 HE22 GLN A 819 2.575 -10.679 -3.846 1.00 0.90 H new ATOM 698 N ASP A 820 6.518 -6.280 -1.526 1.00 0.22 N ATOM 699 CA ASP A 820 7.510 -5.668 -2.385 1.00 0.24 C ATOM 700 C ASP A 820 8.110 -6.710 -3.314 1.00 0.28 C ATOM 701 O ASP A 820 8.263 -7.887 -2.939 1.00 0.38 O ATOM 702 CB ASP A 820 8.618 -5.027 -1.550 1.00 0.31 C ATOM 703 CG ASP A 820 9.389 -6.036 -0.717 1.00 0.96 C ATOM 704 OD1 ASP A 820 8.777 -6.680 0.164 1.00 1.73 O ATOM 705 OD2 ASP A 820 10.608 -6.187 -0.933 1.00 1.38 O ATOM 0 H ASP A 820 6.855 -7.086 -1.000 1.00 0.22 H new ATOM 0 HA ASP A 820 7.022 -4.895 -2.978 1.00 0.24 H new ATOM 0 HB2 ASP A 820 9.310 -4.506 -2.212 1.00 0.31 H new ATOM 0 HB3 ASP A 820 8.181 -4.277 -0.891 1.00 0.31 H new ATOM 710 N GLU A 821 8.258 -6.303 -4.576 1.00 0.28 N ATOM 711 CA GLU A 821 8.716 -7.177 -5.658 1.00 0.38 C ATOM 712 C GLU A 821 7.815 -8.406 -5.798 1.00 0.85 C ATOM 713 O GLU A 821 8.230 -9.436 -6.329 1.00 0.63 O ATOM 714 CB GLU A 821 10.169 -7.600 -5.430 1.00 1.20 C ATOM 715 CG GLU A 821 11.071 -7.345 -6.630 1.00 1.63 C ATOM 716 CD GLU A 821 10.601 -8.060 -7.881 1.00 2.62 C ATOM 717 OE1 GLU A 821 10.644 -9.313 -7.912 1.00 3.38 O ATOM 718 OE2 GLU A 821 10.216 -7.378 -8.852 1.00 3.04 O ATOM 0 H GLU A 821 8.062 -5.349 -4.879 1.00 0.28 H new ATOM 0 HA GLU A 821 8.660 -6.613 -6.589 1.00 0.38 H new ATOM 0 HB2 GLU A 821 10.564 -7.063 -4.568 1.00 1.20 H new ATOM 0 HB3 GLU A 821 10.196 -8.662 -5.184 1.00 1.20 H new ATOM 0 HG2 GLU A 821 11.115 -6.273 -6.824 1.00 1.63 H new ATOM 0 HG3 GLU A 821 12.085 -7.668 -6.392 1.00 1.63 H new ATOM 725 N ASP A 822 6.570 -8.267 -5.334 1.00 1.90 N ATOM 726 CA ASP A 822 5.577 -9.341 -5.397 1.00 2.86 C ATOM 727 C ASP A 822 6.162 -10.651 -4.871 1.00 2.24 C ATOM 728 O ASP A 822 6.306 -11.619 -5.615 1.00 2.49 O ATOM 729 CB ASP A 822 5.061 -9.527 -6.830 1.00 3.96 C ATOM 730 CG ASP A 822 3.729 -10.261 -6.891 1.00 5.04 C ATOM 731 OD1 ASP A 822 3.660 -11.409 -6.401 1.00 5.63 O ATOM 732 OD2 ASP A 822 2.746 -9.703 -7.426 1.00 5.45 O ATOM 0 H ASP A 822 6.223 -7.409 -4.905 1.00 1.90 H new ATOM 0 HA ASP A 822 4.737 -9.057 -4.763 1.00 2.86 H new ATOM 0 HB2 ASP A 822 4.953 -8.550 -7.301 1.00 3.96 H new ATOM 0 HB3 ASP A 822 5.801 -10.080 -7.408 1.00 3.96 H new ATOM 737 N GLY A 823 6.612 -10.638 -3.624 1.00 1.39 N ATOM 738 CA GLY A 823 7.275 -11.807 -3.083 1.00 0.79 C ATOM 739 C GLY A 823 7.389 -11.799 -1.572 1.00 0.74 C ATOM 740 O GLY A 823 7.453 -12.858 -0.949 1.00 0.91 O ATOM 0 H GLY A 823 6.531 -9.848 -2.983 1.00 1.39 H new ATOM 0 HA2 GLY A 823 6.730 -12.699 -3.392 1.00 0.79 H new ATOM 0 HA3 GLY A 823 8.274 -11.879 -3.513 1.00 0.79 H new ATOM 744 N ASP A 824 7.465 -10.617 -0.977 1.00 0.55 N ATOM 745 CA ASP A 824 7.666 -10.513 0.468 1.00 0.53 C ATOM 746 C ASP A 824 6.595 -9.615 1.068 1.00 0.40 C ATOM 747 O ASP A 824 6.083 -8.732 0.387 1.00 0.32 O ATOM 748 CB ASP A 824 9.068 -9.962 0.760 1.00 0.61 C ATOM 749 CG ASP A 824 9.546 -10.253 2.170 1.00 0.97 C ATOM 750 OD1 ASP A 824 8.930 -9.757 3.134 1.00 1.47 O ATOM 751 OD2 ASP A 824 10.551 -10.981 2.321 1.00 1.42 O ATOM 0 H ASP A 824 7.392 -9.723 -1.463 1.00 0.55 H new ATOM 0 HA ASP A 824 7.585 -11.501 0.921 1.00 0.53 H new ATOM 0 HB2 ASP A 824 9.774 -10.390 0.049 1.00 0.61 H new ATOM 0 HB3 ASP A 824 9.068 -8.884 0.599 1.00 0.61 H new ATOM 756 N PHE A 825 6.169 -9.921 2.287 1.00 0.43 N ATOM 757 CA PHE A 825 5.029 -9.233 2.886 1.00 0.38 C ATOM 758 C PHE A 825 5.381 -8.643 4.243 1.00 0.40 C ATOM 759 O PHE A 825 6.096 -9.242 5.049 1.00 0.47 O ATOM 760 CB PHE A 825 3.841 -10.189 3.059 1.00 0.47 C ATOM 761 CG PHE A 825 2.700 -9.943 2.105 1.00 0.49 C ATOM 762 CD1 PHE A 825 1.777 -8.933 2.342 1.00 0.55 C ATOM 763 CD2 PHE A 825 2.550 -10.722 0.972 1.00 0.91 C ATOM 764 CE1 PHE A 825 0.733 -8.710 1.468 1.00 0.80 C ATOM 765 CE2 PHE A 825 1.504 -10.501 0.094 1.00 1.16 C ATOM 766 CZ PHE A 825 0.597 -9.493 0.343 1.00 1.04 C ATOM 0 H PHE A 825 6.592 -10.636 2.878 1.00 0.43 H new ATOM 0 HA PHE A 825 4.757 -8.426 2.206 1.00 0.38 H new ATOM 0 HB2 PHE A 825 4.192 -11.213 2.930 1.00 0.47 H new ATOM 0 HB3 PHE A 825 3.469 -10.106 4.080 1.00 0.47 H new ATOM 0 HD1 PHE A 825 1.878 -8.314 3.221 1.00 0.55 H new ATOM 0 HD2 PHE A 825 3.258 -11.512 0.770 1.00 0.91 H new ATOM 0 HE1 PHE A 825 0.022 -7.921 1.666 1.00 0.80 H new ATOM 0 HE2 PHE A 825 1.398 -11.118 -0.786 1.00 1.16 H new ATOM 0 HZ PHE A 825 -0.219 -9.318 -0.343 1.00 1.04 H new ATOM 776 N VAL A 826 4.918 -7.423 4.432 1.00 0.35 N ATOM 777 CA VAL A 826 5.183 -6.618 5.613 1.00 0.39 C ATOM 778 C VAL A 826 3.905 -5.879 5.983 1.00 0.31 C ATOM 779 O VAL A 826 3.026 -5.710 5.141 1.00 0.29 O ATOM 780 CB VAL A 826 6.333 -5.603 5.405 1.00 0.52 C ATOM 781 CG1 VAL A 826 6.616 -4.822 6.682 1.00 1.35 C ATOM 782 CG2 VAL A 826 7.592 -6.306 4.939 1.00 0.95 C ATOM 0 H VAL A 826 4.329 -6.948 3.748 1.00 0.35 H new ATOM 0 HA VAL A 826 5.500 -7.286 6.413 1.00 0.39 H new ATOM 0 HB VAL A 826 6.016 -4.900 4.635 1.00 0.52 H new ATOM 0 HG11 VAL A 826 7.428 -4.117 6.505 1.00 1.35 H new ATOM 0 HG12 VAL A 826 5.721 -4.277 6.981 1.00 1.35 H new ATOM 0 HG13 VAL A 826 6.902 -5.513 7.475 1.00 1.35 H new ATOM 0 HG21 VAL A 826 8.387 -5.574 4.799 1.00 0.95 H new ATOM 0 HG22 VAL A 826 7.899 -7.037 5.687 1.00 0.95 H new ATOM 0 HG23 VAL A 826 7.397 -6.814 3.995 1.00 0.95 H new ATOM 792 N VAL A 827 3.718 -5.600 7.254 1.00 0.33 N ATOM 793 CA VAL A 827 2.458 -5.066 7.734 1.00 0.32 C ATOM 794 C VAL A 827 2.731 -3.742 8.410 1.00 0.35 C ATOM 795 O VAL A 827 3.773 -3.574 9.043 1.00 0.40 O ATOM 796 CB VAL A 827 1.825 -6.012 8.774 1.00 0.37 C ATOM 797 CG1 VAL A 827 0.399 -5.597 9.098 1.00 0.98 C ATOM 798 CG2 VAL A 827 1.878 -7.455 8.304 1.00 1.22 C ATOM 0 H VAL A 827 4.424 -5.734 7.978 1.00 0.33 H new ATOM 0 HA VAL A 827 1.777 -4.953 6.891 1.00 0.32 H new ATOM 0 HB VAL A 827 2.411 -5.936 9.690 1.00 0.37 H new ATOM 0 HG11 VAL A 827 -0.021 -6.283 9.834 1.00 0.98 H new ATOM 0 HG12 VAL A 827 0.398 -4.585 9.503 1.00 0.98 H new ATOM 0 HG13 VAL A 827 -0.203 -5.626 8.190 1.00 0.98 H new ATOM 0 HG21 VAL A 827 1.425 -8.100 9.057 1.00 1.22 H new ATOM 0 HG22 VAL A 827 1.331 -7.552 7.366 1.00 1.22 H new ATOM 0 HG23 VAL A 827 2.916 -7.750 8.151 1.00 1.22 H new ATOM 808 N LEU A 828 1.941 -2.737 8.058 1.00 0.34 N ATOM 809 CA LEU A 828 2.294 -1.379 8.429 1.00 0.38 C ATOM 810 C LEU A 828 1.159 -0.646 9.123 1.00 0.44 C ATOM 811 O LEU A 828 -0.017 -0.959 8.940 1.00 0.48 O ATOM 812 CB LEU A 828 2.805 -0.587 7.203 1.00 0.38 C ATOM 813 CG LEU A 828 1.961 -0.632 5.919 1.00 0.39 C ATOM 814 CD1 LEU A 828 0.639 0.091 6.091 1.00 1.03 C ATOM 815 CD2 LEU A 828 2.737 -0.009 4.769 1.00 0.96 C ATOM 0 H LEU A 828 1.074 -2.833 7.530 1.00 0.34 H new ATOM 0 HA LEU A 828 3.104 -1.451 9.155 1.00 0.38 H new ATOM 0 HB2 LEU A 828 2.910 0.457 7.499 1.00 0.38 H new ATOM 0 HB3 LEU A 828 3.803 -0.952 6.961 1.00 0.38 H new ATOM 0 HG LEU A 828 1.747 -1.678 5.699 1.00 0.39 H new ATOM 0 HD11 LEU A 828 0.071 0.037 5.162 1.00 1.03 H new ATOM 0 HD12 LEU A 828 0.069 -0.379 6.893 1.00 1.03 H new ATOM 0 HD13 LEU A 828 0.825 1.135 6.342 1.00 1.03 H new ATOM 0 HD21 LEU A 828 2.134 -0.044 3.862 1.00 0.96 H new ATOM 0 HD22 LEU A 828 2.973 1.028 5.009 1.00 0.96 H new ATOM 0 HD23 LEU A 828 3.662 -0.564 4.611 1.00 0.96 H new ATOM 827 N GLY A 829 1.542 0.288 9.976 1.00 0.53 N ATOM 828 CA GLY A 829 0.577 1.081 10.703 1.00 0.63 C ATOM 829 C GLY A 829 1.230 1.959 11.751 1.00 0.73 C ATOM 830 O GLY A 829 0.603 2.309 12.750 1.00 1.20 O ATOM 0 H GLY A 829 2.516 0.513 10.180 1.00 0.53 H new ATOM 0 HA2 GLY A 829 0.022 1.705 10.003 1.00 0.63 H new ATOM 0 HA3 GLY A 829 -0.145 0.421 11.183 1.00 0.63 H new ATOM 834 N SER A 830 2.490 2.319 11.533 1.00 0.74 N ATOM 835 CA SER A 830 3.223 3.130 12.494 1.00 0.85 C ATOM 836 C SER A 830 4.144 4.118 11.782 1.00 0.98 C ATOM 837 O SER A 830 5.073 4.652 12.391 1.00 1.93 O ATOM 838 CB SER A 830 4.050 2.229 13.413 1.00 0.89 C ATOM 839 OG SER A 830 3.242 1.236 14.026 1.00 1.58 O ATOM 0 H SER A 830 3.022 2.062 10.702 1.00 0.74 H new ATOM 0 HA SER A 830 2.502 3.692 13.087 1.00 0.85 H new ATOM 0 HB2 SER A 830 4.844 1.751 12.839 1.00 0.89 H new ATOM 0 HB3 SER A 830 4.532 2.834 14.181 1.00 0.89 H new ATOM 0 HG SER A 830 3.798 0.674 14.606 1.00 1.58 H new ATOM 845 N ASP A 831 3.847 4.375 10.504 1.00 0.62 N ATOM 846 CA ASP A 831 4.591 5.338 9.674 1.00 0.62 C ATOM 847 C ASP A 831 5.994 4.833 9.320 1.00 0.58 C ATOM 848 O ASP A 831 6.364 4.804 8.149 1.00 0.97 O ATOM 849 CB ASP A 831 4.687 6.698 10.375 1.00 0.86 C ATOM 850 CG ASP A 831 5.195 7.801 9.469 1.00 1.20 C ATOM 851 OD1 ASP A 831 6.344 7.695 8.996 1.00 1.79 O ATOM 852 OD2 ASP A 831 4.451 8.773 9.215 1.00 1.74 O ATOM 0 H ASP A 831 3.079 3.920 10.010 1.00 0.62 H new ATOM 0 HA ASP A 831 4.034 5.451 8.744 1.00 0.62 H new ATOM 0 HB2 ASP A 831 3.704 6.973 10.756 1.00 0.86 H new ATOM 0 HB3 ASP A 831 5.349 6.610 11.236 1.00 0.86 H new ATOM 857 N GLU A 832 6.757 4.439 10.334 1.00 0.50 N ATOM 858 CA GLU A 832 8.122 3.944 10.154 1.00 0.44 C ATOM 859 C GLU A 832 8.164 2.797 9.151 1.00 0.34 C ATOM 860 O GLU A 832 9.017 2.758 8.264 1.00 0.34 O ATOM 861 CB GLU A 832 8.669 3.479 11.499 1.00 0.56 C ATOM 862 CG GLU A 832 10.040 2.829 11.419 1.00 1.41 C ATOM 863 CD GLU A 832 10.516 2.332 12.764 1.00 2.19 C ATOM 864 OE1 GLU A 832 9.866 1.438 13.334 1.00 2.93 O ATOM 865 OE2 GLU A 832 11.557 2.821 13.249 1.00 2.62 O ATOM 0 H GLU A 832 6.448 4.453 11.306 1.00 0.50 H new ATOM 0 HA GLU A 832 8.738 4.754 9.763 1.00 0.44 H new ATOM 0 HB2 GLU A 832 8.723 4.334 12.173 1.00 0.56 H new ATOM 0 HB3 GLU A 832 7.968 2.770 11.939 1.00 0.56 H new ATOM 0 HG2 GLU A 832 10.005 1.995 10.717 1.00 1.41 H new ATOM 0 HG3 GLU A 832 10.758 3.548 11.024 1.00 1.41 H new ATOM 872 N ASP A 833 7.189 1.911 9.266 1.00 0.32 N ATOM 873 CA ASP A 833 7.029 0.789 8.351 1.00 0.29 C ATOM 874 C ASP A 833 6.872 1.274 6.908 1.00 0.24 C ATOM 875 O ASP A 833 7.578 0.825 6.003 1.00 0.23 O ATOM 876 CB ASP A 833 5.814 -0.043 8.769 1.00 0.38 C ATOM 877 CG ASP A 833 4.721 0.794 9.421 1.00 1.21 C ATOM 878 OD1 ASP A 833 4.332 1.824 8.839 1.00 1.50 O ATOM 879 OD2 ASP A 833 4.250 0.439 10.521 1.00 2.14 O ATOM 0 H ASP A 833 6.482 1.948 10.000 1.00 0.32 H new ATOM 0 HA ASP A 833 7.925 0.170 8.398 1.00 0.29 H new ATOM 0 HB2 ASP A 833 5.406 -0.547 7.893 1.00 0.38 H new ATOM 0 HB3 ASP A 833 6.133 -0.820 9.464 1.00 0.38 H new ATOM 884 N TRP A 834 5.998 2.244 6.709 1.00 0.22 N ATOM 885 CA TRP A 834 5.817 2.828 5.394 1.00 0.20 C ATOM 886 C TRP A 834 7.086 3.559 4.954 1.00 0.19 C ATOM 887 O TRP A 834 7.459 3.519 3.782 1.00 0.18 O ATOM 888 CB TRP A 834 4.617 3.781 5.374 1.00 0.23 C ATOM 889 CG TRP A 834 4.431 4.454 4.049 1.00 0.22 C ATOM 890 CD1 TRP A 834 4.235 5.783 3.821 1.00 0.26 C ATOM 891 CD2 TRP A 834 4.445 3.824 2.761 1.00 0.19 C ATOM 892 NE1 TRP A 834 4.126 6.018 2.472 1.00 0.26 N ATOM 893 CE2 TRP A 834 4.250 4.831 1.803 1.00 0.22 C ATOM 894 CE3 TRP A 834 4.603 2.502 2.329 1.00 0.18 C ATOM 895 CZ2 TRP A 834 4.215 4.562 0.438 1.00 0.22 C ATOM 896 CZ3 TRP A 834 4.569 2.239 0.974 1.00 0.18 C ATOM 897 CH2 TRP A 834 4.374 3.262 0.047 1.00 0.19 C ATOM 0 H TRP A 834 5.405 2.642 7.438 1.00 0.22 H new ATOM 0 HA TRP A 834 5.618 2.019 4.691 1.00 0.20 H new ATOM 0 HB2 TRP A 834 3.713 3.225 5.624 1.00 0.23 H new ATOM 0 HB3 TRP A 834 4.748 4.539 6.146 1.00 0.23 H new ATOM 0 HD1 TRP A 834 4.174 6.541 4.588 1.00 0.26 H new ATOM 0 HE1 TRP A 834 3.977 6.930 2.039 1.00 0.26 H new ATOM 0 HE3 TRP A 834 4.749 1.704 3.041 1.00 0.18 H new ATOM 0 HZ2 TRP A 834 4.068 5.351 -0.285 1.00 0.22 H new ATOM 0 HZ3 TRP A 834 4.696 1.224 0.627 1.00 0.18 H new ATOM 0 HH2 TRP A 834 4.348 3.021 -1.006 1.00 0.19 H new ATOM 908 N ASN A 835 7.749 4.216 5.897 1.00 0.22 N ATOM 909 CA ASN A 835 8.972 4.954 5.601 1.00 0.25 C ATOM 910 C ASN A 835 10.043 4.030 5.037 1.00 0.21 C ATOM 911 O ASN A 835 10.586 4.292 3.964 1.00 0.21 O ATOM 912 CB ASN A 835 9.504 5.666 6.851 1.00 0.34 C ATOM 913 CG ASN A 835 10.879 6.270 6.626 1.00 1.15 C ATOM 914 OD1 ASN A 835 11.096 7.023 5.675 1.00 1.66 O ATOM 915 ND2 ASN A 835 11.811 5.960 7.512 1.00 2.00 N ATOM 0 H ASN A 835 7.461 4.253 6.875 1.00 0.22 H new ATOM 0 HA ASN A 835 8.727 5.706 4.851 1.00 0.25 H new ATOM 0 HB2 ASN A 835 8.807 6.452 7.144 1.00 0.34 H new ATOM 0 HB3 ASN A 835 9.551 4.958 7.678 1.00 0.34 H new ATOM 0 HD21 ASN A 835 12.750 6.348 7.422 1.00 2.00 H new ATOM 0 HD22 ASN A 835 11.591 5.333 8.285 1.00 2.00 H new ATOM 922 N VAL A 836 10.292 2.917 5.724 1.00 0.22 N ATOM 923 CA VAL A 836 11.275 1.950 5.252 1.00 0.25 C ATOM 924 C VAL A 836 10.853 1.364 3.907 1.00 0.19 C ATOM 925 O VAL A 836 11.690 1.176 3.027 1.00 0.19 O ATOM 926 CB VAL A 836 11.563 0.820 6.276 1.00 0.39 C ATOM 927 CG1 VAL A 836 12.068 1.406 7.584 1.00 1.36 C ATOM 928 CG2 VAL A 836 10.347 -0.055 6.525 1.00 1.22 C ATOM 0 H VAL A 836 9.832 2.666 6.599 1.00 0.22 H new ATOM 0 HA VAL A 836 12.209 2.497 5.127 1.00 0.25 H new ATOM 0 HB VAL A 836 12.336 0.184 5.845 1.00 0.39 H new ATOM 0 HG11 VAL A 836 12.265 0.601 8.291 1.00 1.36 H new ATOM 0 HG12 VAL A 836 12.987 1.963 7.402 1.00 1.36 H new ATOM 0 HG13 VAL A 836 11.314 2.076 7.998 1.00 1.36 H new ATOM 0 HG21 VAL A 836 10.599 -0.831 7.248 1.00 1.22 H new ATOM 0 HG22 VAL A 836 9.533 0.556 6.916 1.00 1.22 H new ATOM 0 HG23 VAL A 836 10.035 -0.519 5.589 1.00 1.22 H new ATOM 938 N ALA A 837 9.547 1.152 3.718 1.00 0.16 N ATOM 939 CA ALA A 837 9.040 0.678 2.433 1.00 0.15 C ATOM 940 C ALA A 837 9.360 1.673 1.318 1.00 0.15 C ATOM 941 O ALA A 837 9.880 1.284 0.274 1.00 0.19 O ATOM 942 CB ALA A 837 7.543 0.419 2.490 1.00 0.17 C ATOM 0 H ALA A 837 8.832 1.300 4.430 1.00 0.16 H new ATOM 0 HA ALA A 837 9.541 -0.265 2.213 1.00 0.15 H new ATOM 0 HB1 ALA A 837 7.197 0.067 1.518 1.00 0.17 H new ATOM 0 HB2 ALA A 837 7.333 -0.338 3.245 1.00 0.17 H new ATOM 0 HB3 ALA A 837 7.024 1.342 2.748 1.00 0.17 H new ATOM 948 N LYS A 838 9.074 2.957 1.551 1.00 0.14 N ATOM 949 CA LYS A 838 9.365 3.998 0.563 1.00 0.19 C ATOM 950 C LYS A 838 10.849 4.003 0.192 1.00 0.20 C ATOM 951 O LYS A 838 11.200 4.002 -0.993 1.00 0.24 O ATOM 952 CB LYS A 838 8.974 5.387 1.078 1.00 0.23 C ATOM 953 CG LYS A 838 7.511 5.530 1.464 1.00 0.23 C ATOM 954 CD LYS A 838 7.068 6.992 1.442 1.00 0.40 C ATOM 955 CE LYS A 838 7.831 7.853 2.444 1.00 0.49 C ATOM 956 NZ LYS A 838 7.393 7.629 3.850 1.00 1.22 N ATOM 0 H LYS A 838 8.644 3.299 2.410 1.00 0.14 H new ATOM 0 HA LYS A 838 8.771 3.769 -0.322 1.00 0.19 H new ATOM 0 HB2 LYS A 838 9.590 5.625 1.945 1.00 0.23 H new ATOM 0 HB3 LYS A 838 9.207 6.124 0.309 1.00 0.23 H new ATOM 0 HG2 LYS A 838 6.894 4.951 0.777 1.00 0.23 H new ATOM 0 HG3 LYS A 838 7.354 5.116 2.460 1.00 0.23 H new ATOM 0 HD2 LYS A 838 7.211 7.396 0.440 1.00 0.40 H new ATOM 0 HD3 LYS A 838 6.001 7.048 1.659 1.00 0.40 H new ATOM 0 HE2 LYS A 838 8.897 7.639 2.362 1.00 0.49 H new ATOM 0 HE3 LYS A 838 7.696 8.904 2.189 1.00 0.49 H new ATOM 0 HZ1 LYS A 838 8.201 7.764 4.491 1.00 1.22 H new ATOM 0 HZ2 LYS A 838 6.642 8.307 4.092 1.00 1.22 H new ATOM 0 HZ3 LYS A 838 7.029 6.660 3.950 1.00 1.22 H new ATOM 970 N GLU A 839 11.712 3.984 1.211 1.00 0.21 N ATOM 971 CA GLU A 839 13.159 3.973 0.994 1.00 0.26 C ATOM 972 C GLU A 839 13.558 2.747 0.188 1.00 0.27 C ATOM 973 O GLU A 839 14.340 2.834 -0.758 1.00 0.31 O ATOM 974 CB GLU A 839 13.912 3.964 2.327 1.00 0.32 C ATOM 975 CG GLU A 839 13.524 5.091 3.268 1.00 0.47 C ATOM 976 CD GLU A 839 14.320 5.067 4.556 1.00 1.34 C ATOM 977 OE1 GLU A 839 14.357 4.008 5.220 1.00 2.22 O ATOM 978 OE2 GLU A 839 14.914 6.106 4.915 1.00 1.85 O ATOM 0 H GLU A 839 11.434 3.976 2.192 1.00 0.21 H new ATOM 0 HA GLU A 839 13.423 4.877 0.445 1.00 0.26 H new ATOM 0 HB2 GLU A 839 13.734 3.011 2.826 1.00 0.32 H new ATOM 0 HB3 GLU A 839 14.982 4.024 2.128 1.00 0.32 H new ATOM 0 HG2 GLU A 839 13.676 6.047 2.768 1.00 0.47 H new ATOM 0 HG3 GLU A 839 12.461 5.018 3.499 1.00 0.47 H new ATOM 985 N MET A 840 12.986 1.614 0.565 1.00 0.27 N ATOM 986 CA MET A 840 13.236 0.349 -0.107 1.00 0.31 C ATOM 987 C MET A 840 12.904 0.439 -1.593 1.00 0.34 C ATOM 988 O MET A 840 13.755 0.187 -2.435 1.00 0.40 O ATOM 989 CB MET A 840 12.397 -0.747 0.553 1.00 0.32 C ATOM 990 CG MET A 840 12.374 -2.063 -0.202 1.00 0.36 C ATOM 991 SD MET A 840 11.152 -3.206 0.465 1.00 0.76 S ATOM 992 CE MET A 840 9.652 -2.232 0.307 1.00 0.35 C ATOM 0 H MET A 840 12.334 1.546 1.347 1.00 0.27 H new ATOM 0 HA MET A 840 14.295 0.109 -0.016 1.00 0.31 H new ATOM 0 HB2 MET A 840 12.781 -0.926 1.557 1.00 0.32 H new ATOM 0 HB3 MET A 840 11.374 -0.387 0.662 1.00 0.32 H new ATOM 0 HG2 MET A 840 12.157 -1.874 -1.253 1.00 0.36 H new ATOM 0 HG3 MET A 840 13.361 -2.523 -0.158 1.00 0.36 H new ATOM 0 HE1 MET A 840 9.227 -2.056 1.295 1.00 0.35 H new ATOM 0 HE2 MET A 840 9.886 -1.277 -0.163 1.00 0.35 H new ATOM 0 HE3 MET A 840 8.931 -2.771 -0.307 1.00 0.35 H new ATOM 1002 N LEU A 841 11.673 0.817 -1.906 1.00 0.30 N ATOM 1003 CA LEU A 841 11.223 0.911 -3.292 1.00 0.35 C ATOM 1004 C LEU A 841 12.146 1.817 -4.107 1.00 0.39 C ATOM 1005 O LEU A 841 12.625 1.434 -5.176 1.00 0.50 O ATOM 1006 CB LEU A 841 9.791 1.460 -3.350 1.00 0.33 C ATOM 1007 CG LEU A 841 8.770 0.752 -2.453 1.00 0.35 C ATOM 1008 CD1 LEU A 841 7.445 1.497 -2.465 1.00 0.62 C ATOM 1009 CD2 LEU A 841 8.566 -0.686 -2.892 1.00 0.62 C ATOM 0 H LEU A 841 10.963 1.065 -1.217 1.00 0.30 H new ATOM 0 HA LEU A 841 11.247 -0.091 -3.720 1.00 0.35 H new ATOM 0 HB2 LEU A 841 9.815 2.515 -3.079 1.00 0.33 H new ATOM 0 HB3 LEU A 841 9.442 1.404 -4.381 1.00 0.33 H new ATOM 0 HG LEU A 841 9.162 0.747 -1.436 1.00 0.35 H new ATOM 0 HD11 LEU A 841 6.731 0.981 -1.823 1.00 0.62 H new ATOM 0 HD12 LEU A 841 7.595 2.512 -2.098 1.00 0.62 H new ATOM 0 HD13 LEU A 841 7.057 1.533 -3.483 1.00 0.62 H new ATOM 0 HD21 LEU A 841 7.837 -1.166 -2.239 1.00 0.62 H new ATOM 0 HD22 LEU A 841 8.201 -0.705 -3.919 1.00 0.62 H new ATOM 0 HD23 LEU A 841 9.513 -1.222 -2.834 1.00 0.62 H new ATOM 1021 N ALA A 842 12.382 3.023 -3.598 1.00 0.36 N ATOM 1022 CA ALA A 842 13.187 4.014 -4.306 1.00 0.44 C ATOM 1023 C ALA A 842 14.644 3.580 -4.466 1.00 0.52 C ATOM 1024 O ALA A 842 15.198 3.649 -5.563 1.00 0.61 O ATOM 1025 CB ALA A 842 13.114 5.355 -3.591 1.00 0.47 C ATOM 0 H ALA A 842 12.026 3.338 -2.696 1.00 0.36 H new ATOM 0 HA ALA A 842 12.770 4.110 -5.308 1.00 0.44 H new ATOM 0 HB1 ALA A 842 13.718 6.087 -4.128 1.00 0.47 H new ATOM 0 HB2 ALA A 842 12.078 5.694 -3.558 1.00 0.47 H new ATOM 0 HB3 ALA A 842 13.493 5.247 -2.575 1.00 0.47 H new ATOM 1031 N GLU A 843 15.285 3.225 -3.359 1.00 0.53 N ATOM 1032 CA GLU A 843 16.706 2.888 -3.374 1.00 0.66 C ATOM 1033 C GLU A 843 16.958 1.580 -4.122 1.00 0.71 C ATOM 1034 O GLU A 843 17.902 1.472 -4.903 1.00 0.81 O ATOM 1035 CB GLU A 843 17.242 2.780 -1.946 1.00 0.71 C ATOM 1036 CG GLU A 843 18.732 3.060 -1.828 1.00 1.45 C ATOM 1037 CD GLU A 843 19.068 4.526 -2.020 1.00 2.11 C ATOM 1038 OE1 GLU A 843 18.900 5.030 -3.148 1.00 2.92 O ATOM 1039 OE2 GLU A 843 19.515 5.179 -1.054 1.00 2.43 O ATOM 0 H GLU A 843 14.846 3.163 -2.441 1.00 0.53 H new ATOM 0 HA GLU A 843 17.232 3.688 -3.896 1.00 0.66 H new ATOM 0 HB2 GLU A 843 16.699 3.479 -1.310 1.00 0.71 H new ATOM 0 HB3 GLU A 843 17.039 1.779 -1.566 1.00 0.71 H new ATOM 0 HG2 GLU A 843 19.082 2.736 -0.848 1.00 1.45 H new ATOM 0 HG3 GLU A 843 19.269 2.468 -2.569 1.00 1.45 H new ATOM 1046 N ASN A 844 16.126 0.578 -3.844 1.00 0.67 N ATOM 1047 CA ASN A 844 16.261 -0.737 -4.471 1.00 0.80 C ATOM 1048 C ASN A 844 15.937 -0.666 -5.954 1.00 0.79 C ATOM 1049 O ASN A 844 16.422 -1.497 -6.718 1.00 1.11 O ATOM 1050 CB ASN A 844 15.355 -1.789 -3.813 1.00 0.85 C ATOM 1051 CG ASN A 844 15.711 -2.109 -2.366 1.00 0.97 C ATOM 1052 OD1 ASN A 844 16.724 -1.452 -1.822 1.00 1.53 O flip ATOM 1053 ND2 ASN A 844 15.069 -2.952 -1.739 1.00 1.15 N flip ATOM 0 H ASN A 844 15.349 0.651 -3.187 1.00 0.67 H new ATOM 0 HA ASN A 844 17.299 -1.039 -4.333 1.00 0.80 H new ATOM 0 HB2 ASN A 844 14.324 -1.438 -3.852 1.00 0.85 H new ATOM 0 HB3 ASN A 844 15.401 -2.708 -4.398 1.00 0.85 H new ATOM 0 HD21 ASN A 844 14.294 -3.440 -2.188 1.00 1.15 H new ATOM 0 HD22 ASN A 844 15.312 -3.162 -0.771 1.00 1.15 H new ATOM 1060 N ASN A 845 14.959 0.199 -6.292 1.00 0.62 N ATOM 1061 CA ASN A 845 14.393 0.324 -7.652 1.00 0.71 C ATOM 1062 C ASN A 845 13.160 -0.562 -7.775 1.00 0.61 C ATOM 1063 O ASN A 845 12.348 -0.405 -8.691 1.00 0.71 O ATOM 1064 CB ASN A 845 15.418 -0.014 -8.761 1.00 0.92 C ATOM 1065 CG ASN A 845 15.043 -1.250 -9.572 1.00 1.38 C ATOM 1066 OD1 ASN A 845 14.372 -1.153 -10.603 1.00 1.90 O ATOM 1067 ND2 ASN A 845 15.459 -2.416 -9.100 1.00 1.48 N ATOM 0 H ASN A 845 14.534 0.838 -5.620 1.00 0.62 H new ATOM 0 HA ASN A 845 14.115 1.368 -7.797 1.00 0.71 H new ATOM 0 HB2 ASN A 845 15.510 0.839 -9.433 1.00 0.92 H new ATOM 0 HB3 ASN A 845 16.397 -0.169 -8.307 1.00 0.92 H new ATOM 0 HD21 ASN A 845 15.226 -3.278 -9.593 1.00 1.48 H new ATOM 0 HD22 ASN A 845 16.012 -2.452 -8.244 1.00 1.48 H new ATOM 1074 N GLU A 846 13.007 -1.460 -6.809 1.00 0.55 N ATOM 1075 CA GLU A 846 11.887 -2.389 -6.776 1.00 0.63 C ATOM 1076 C GLU A 846 10.609 -1.687 -6.336 1.00 0.73 C ATOM 1077 O GLU A 846 10.117 -1.919 -5.237 1.00 1.49 O ATOM 1078 CB GLU A 846 12.188 -3.536 -5.814 1.00 0.77 C ATOM 1079 CG GLU A 846 13.571 -4.145 -5.982 1.00 1.40 C ATOM 1080 CD GLU A 846 13.770 -4.831 -7.322 1.00 2.19 C ATOM 1081 OE1 GLU A 846 12.863 -4.771 -8.178 1.00 2.97 O ATOM 1082 OE2 GLU A 846 14.844 -5.433 -7.524 1.00 2.54 O ATOM 0 H GLU A 846 13.655 -1.564 -6.028 1.00 0.55 H new ATOM 0 HA GLU A 846 11.744 -2.780 -7.783 1.00 0.63 H new ATOM 0 HB2 GLU A 846 12.085 -3.174 -4.791 1.00 0.77 H new ATOM 0 HB3 GLU A 846 11.440 -4.317 -5.953 1.00 0.77 H new ATOM 0 HG2 GLU A 846 14.321 -3.362 -5.868 1.00 1.40 H new ATOM 0 HG3 GLU A 846 13.741 -4.867 -5.184 1.00 1.40 H new ATOM 1089 N LYS A 847 10.143 -0.752 -7.143 1.00 0.42 N ATOM 1090 CA LYS A 847 9.004 0.075 -6.772 1.00 0.37 C ATOM 1091 C LYS A 847 7.675 -0.638 -7.035 1.00 0.35 C ATOM 1092 O LYS A 847 6.639 0.006 -7.216 1.00 0.44 O ATOM 1093 CB LYS A 847 9.053 1.399 -7.536 1.00 0.44 C ATOM 1094 CG LYS A 847 8.300 2.524 -6.844 1.00 0.63 C ATOM 1095 CD LYS A 847 8.241 3.776 -7.698 1.00 1.29 C ATOM 1096 CE LYS A 847 7.381 3.570 -8.933 1.00 1.80 C ATOM 1097 NZ LYS A 847 7.226 4.826 -9.709 1.00 2.40 N ATOM 0 H LYS A 847 10.535 -0.544 -8.062 1.00 0.42 H new ATOM 0 HA LYS A 847 9.066 0.269 -5.701 1.00 0.37 H new ATOM 0 HB2 LYS A 847 10.094 1.696 -7.668 1.00 0.44 H new ATOM 0 HB3 LYS A 847 8.635 1.251 -8.532 1.00 0.44 H new ATOM 0 HG2 LYS A 847 7.287 2.194 -6.613 1.00 0.63 H new ATOM 0 HG3 LYS A 847 8.784 2.755 -5.895 1.00 0.63 H new ATOM 0 HD2 LYS A 847 7.841 4.601 -7.108 1.00 1.29 H new ATOM 0 HD3 LYS A 847 9.249 4.060 -7.999 1.00 1.29 H new ATOM 0 HE2 LYS A 847 7.830 2.804 -9.566 1.00 1.80 H new ATOM 0 HE3 LYS A 847 6.399 3.202 -8.636 1.00 1.80 H new ATOM 0 HZ1 LYS A 847 6.765 4.618 -10.618 1.00 2.40 H new ATOM 0 HZ2 LYS A 847 6.642 5.497 -9.170 1.00 2.40 H new ATOM 0 HZ3 LYS A 847 8.162 5.244 -9.883 1.00 2.40 H new ATOM 1111 N PHE A 848 7.679 -1.961 -6.941 1.00 0.32 N ATOM 1112 CA PHE A 848 6.445 -2.720 -7.041 1.00 0.30 C ATOM 1113 C PHE A 848 5.865 -2.899 -5.655 1.00 0.24 C ATOM 1114 O PHE A 848 6.542 -3.402 -4.755 1.00 0.21 O ATOM 1115 CB PHE A 848 6.679 -4.094 -7.672 1.00 0.31 C ATOM 1116 CG PHE A 848 5.438 -4.693 -8.278 1.00 0.35 C ATOM 1117 CD1 PHE A 848 5.023 -4.298 -9.539 1.00 0.46 C ATOM 1118 CD2 PHE A 848 4.695 -5.659 -7.604 1.00 0.35 C ATOM 1119 CE1 PHE A 848 3.896 -4.848 -10.119 1.00 0.54 C ATOM 1120 CE2 PHE A 848 3.570 -6.212 -8.185 1.00 0.42 C ATOM 1121 CZ PHE A 848 3.170 -5.806 -9.441 1.00 0.52 C ATOM 0 H PHE A 848 8.517 -2.525 -6.797 1.00 0.32 H new ATOM 0 HA PHE A 848 5.754 -2.169 -7.679 1.00 0.30 H new ATOM 0 HB2 PHE A 848 7.445 -4.006 -8.443 1.00 0.31 H new ATOM 0 HB3 PHE A 848 7.068 -4.773 -6.913 1.00 0.31 H new ATOM 0 HD1 PHE A 848 5.588 -3.550 -10.076 1.00 0.46 H new ATOM 0 HD2 PHE A 848 5.001 -5.979 -6.619 1.00 0.35 H new ATOM 0 HE1 PHE A 848 3.583 -4.528 -11.102 1.00 0.54 H new ATOM 0 HE2 PHE A 848 3.003 -6.963 -7.655 1.00 0.42 H new ATOM 0 HZ PHE A 848 2.289 -6.237 -9.894 1.00 0.52 H new ATOM 1131 N LEU A 849 4.620 -2.500 -5.484 1.00 0.22 N ATOM 1132 CA LEU A 849 3.982 -2.583 -4.191 1.00 0.18 C ATOM 1133 C LEU A 849 2.650 -3.305 -4.299 1.00 0.17 C ATOM 1134 O LEU A 849 1.903 -3.143 -5.263 1.00 0.19 O ATOM 1135 CB LEU A 849 3.779 -1.183 -3.605 1.00 0.20 C ATOM 1136 CG LEU A 849 3.292 -1.144 -2.158 1.00 0.24 C ATOM 1137 CD1 LEU A 849 4.284 -1.840 -1.247 1.00 0.56 C ATOM 1138 CD2 LEU A 849 3.089 0.291 -1.714 1.00 0.55 C ATOM 0 H LEU A 849 4.033 -2.116 -6.225 1.00 0.22 H new ATOM 0 HA LEU A 849 4.631 -3.150 -3.524 1.00 0.18 H new ATOM 0 HB2 LEU A 849 4.722 -0.641 -3.668 1.00 0.20 H new ATOM 0 HB3 LEU A 849 3.061 -0.648 -4.227 1.00 0.20 H new ATOM 0 HG LEU A 849 2.339 -1.669 -2.097 1.00 0.24 H new ATOM 0 HD11 LEU A 849 3.922 -1.803 -0.219 1.00 0.56 H new ATOM 0 HD12 LEU A 849 4.395 -2.879 -1.556 1.00 0.56 H new ATOM 0 HD13 LEU A 849 5.250 -1.338 -1.310 1.00 0.56 H new ATOM 0 HD21 LEU A 849 2.742 0.307 -0.681 1.00 0.55 H new ATOM 0 HD22 LEU A 849 4.033 0.832 -1.788 1.00 0.55 H new ATOM 0 HD23 LEU A 849 2.346 0.768 -2.354 1.00 0.55 H new ATOM 1150 N ASN A 850 2.395 -4.146 -3.323 1.00 0.16 N ATOM 1151 CA ASN A 850 1.177 -4.929 -3.268 1.00 0.17 C ATOM 1152 C ASN A 850 0.543 -4.754 -1.907 1.00 0.17 C ATOM 1153 O ASN A 850 1.244 -4.504 -0.932 1.00 0.16 O ATOM 1154 CB ASN A 850 1.466 -6.407 -3.523 1.00 0.19 C ATOM 1155 CG ASN A 850 1.961 -6.670 -4.928 1.00 0.34 C ATOM 1156 OD1 ASN A 850 3.216 -7.076 -5.043 1.00 0.96 O flip ATOM 1157 ND2 ASN A 850 1.234 -6.491 -5.903 1.00 0.45 N flip ATOM 0 H ASN A 850 3.028 -4.309 -2.540 1.00 0.16 H new ATOM 0 HA ASN A 850 0.496 -4.581 -4.044 1.00 0.17 H new ATOM 0 HB2 ASN A 850 2.211 -6.756 -2.808 1.00 0.19 H new ATOM 0 HB3 ASN A 850 0.560 -6.986 -3.347 1.00 0.19 H new ATOM 0 HD21 ASN A 850 0.272 -6.178 -5.771 1.00 0.45 H new ATOM 0 HD22 ASN A 850 1.592 -6.656 -6.844 1.00 0.45 H new ATOM 1164 N ILE A 851 -0.774 -4.764 -1.852 1.00 0.18 N ATOM 1165 CA ILE A 851 -1.468 -4.491 -0.607 1.00 0.21 C ATOM 1166 C ILE A 851 -2.450 -5.609 -0.315 1.00 0.24 C ATOM 1167 O ILE A 851 -3.323 -5.904 -1.125 1.00 0.26 O ATOM 1168 CB ILE A 851 -2.273 -3.165 -0.646 1.00 0.25 C ATOM 1169 CG1 ILE A 851 -1.836 -2.247 -1.795 1.00 0.24 C ATOM 1170 CG2 ILE A 851 -2.147 -2.427 0.676 1.00 0.35 C ATOM 1171 CD1 ILE A 851 -0.446 -1.655 -1.645 1.00 0.28 C ATOM 0 H ILE A 851 -1.382 -4.957 -2.648 1.00 0.18 H new ATOM 0 HA ILE A 851 -0.701 -4.412 0.163 1.00 0.21 H new ATOM 0 HB ILE A 851 -3.315 -3.435 -0.818 1.00 0.25 H new ATOM 0 HG12 ILE A 851 -1.877 -2.811 -2.727 1.00 0.24 H new ATOM 0 HG13 ILE A 851 -2.555 -1.432 -1.884 1.00 0.24 H new ATOM 0 HG21 ILE A 851 -2.718 -1.499 0.631 1.00 0.35 H new ATOM 0 HG22 ILE A 851 -2.534 -3.053 1.480 1.00 0.35 H new ATOM 0 HG23 ILE A 851 -1.098 -2.199 0.867 1.00 0.35 H new ATOM 0 HD11 ILE A 851 -0.226 -1.021 -2.504 1.00 0.28 H new ATOM 0 HD12 ILE A 851 -0.401 -1.059 -0.733 1.00 0.28 H new ATOM 0 HD13 ILE A 851 0.288 -2.459 -1.590 1.00 0.28 H new ATOM 1183 N ARG A 852 -2.327 -6.206 0.856 1.00 0.30 N ATOM 1184 CA ARG A 852 -3.254 -7.223 1.271 1.00 0.37 C ATOM 1185 C ARG A 852 -4.211 -6.654 2.297 1.00 0.39 C ATOM 1186 O ARG A 852 -3.790 -5.957 3.221 1.00 0.43 O ATOM 1187 CB ARG A 852 -2.532 -8.415 1.869 1.00 0.46 C ATOM 1188 CG ARG A 852 -3.446 -9.605 2.091 1.00 0.60 C ATOM 1189 CD ARG A 852 -2.704 -10.761 2.717 1.00 0.70 C ATOM 1190 NE ARG A 852 -1.813 -11.427 1.769 1.00 1.27 N ATOM 1191 CZ ARG A 852 -1.007 -12.444 2.083 1.00 1.63 C ATOM 1192 NH1 ARG A 852 -0.959 -12.902 3.325 1.00 1.72 N ATOM 1193 NH2 ARG A 852 -0.266 -13.016 1.144 1.00 2.38 N ATOM 0 H ARG A 852 -1.591 -5.999 1.532 1.00 0.30 H new ATOM 0 HA ARG A 852 -3.803 -7.557 0.391 1.00 0.37 H new ATOM 0 HB2 ARG A 852 -1.715 -8.708 1.209 1.00 0.46 H new ATOM 0 HB3 ARG A 852 -2.085 -8.124 2.819 1.00 0.46 H new ATOM 0 HG2 ARG A 852 -4.276 -9.313 2.734 1.00 0.60 H new ATOM 0 HG3 ARG A 852 -3.875 -9.919 1.139 1.00 0.60 H new ATOM 0 HD2 ARG A 852 -2.123 -10.400 3.566 1.00 0.70 H new ATOM 0 HD3 ARG A 852 -3.422 -11.483 3.106 1.00 0.70 H new ATOM 0 HE ARG A 852 -1.807 -11.093 0.805 1.00 1.27 H new ATOM 0 HH11 ARG A 852 -1.540 -12.477 4.048 1.00 1.72 H new ATOM 0 HH12 ARG A 852 -0.341 -13.679 3.558 1.00 1.72 H new ATOM 0 HH21 ARG A 852 -0.312 -12.679 0.182 1.00 2.38 H new ATOM 0 HH22 ARG A 852 0.350 -13.793 1.383 1.00 2.38 H new ATOM 1207 N LEU A 853 -5.489 -6.939 2.142 1.00 0.46 N ATOM 1208 CA LEU A 853 -6.477 -6.453 3.087 1.00 0.54 C ATOM 1209 C LEU A 853 -6.869 -7.545 4.070 1.00 0.63 C ATOM 1210 O LEU A 853 -7.147 -7.258 5.232 1.00 1.15 O ATOM 1211 CB LEU A 853 -7.703 -5.907 2.371 1.00 0.71 C ATOM 1212 CG LEU A 853 -7.446 -4.690 1.486 1.00 0.59 C ATOM 1213 CD1 LEU A 853 -6.992 -5.104 0.094 1.00 1.12 C ATOM 1214 CD2 LEU A 853 -8.693 -3.840 1.419 1.00 1.56 C ATOM 0 H LEU A 853 -5.866 -7.500 1.378 1.00 0.46 H new ATOM 0 HA LEU A 853 -6.026 -5.635 3.648 1.00 0.54 H new ATOM 0 HB2 LEU A 853 -8.130 -6.700 1.757 1.00 0.71 H new ATOM 0 HB3 LEU A 853 -8.453 -5.643 3.117 1.00 0.71 H new ATOM 0 HG LEU A 853 -6.640 -4.103 1.926 1.00 0.59 H new ATOM 0 HD11 LEU A 853 -6.817 -4.215 -0.511 1.00 1.12 H new ATOM 0 HD12 LEU A 853 -6.069 -5.679 0.168 1.00 1.12 H new ATOM 0 HD13 LEU A 853 -7.764 -5.715 -0.374 1.00 1.12 H new ATOM 0 HD21 LEU A 853 -8.508 -2.972 0.787 1.00 1.56 H new ATOM 0 HD22 LEU A 853 -9.511 -4.426 1.000 1.00 1.56 H new ATOM 0 HD23 LEU A 853 -8.961 -3.508 2.422 1.00 1.56 H new ATOM 1226 N TYR A 854 -6.728 -8.795 3.614 1.00 0.99 N ATOM 1227 CA TYR A 854 -6.921 -10.003 4.437 1.00 1.08 C ATOM 1228 C TYR A 854 -8.047 -9.847 5.468 1.00 1.25 C ATOM 1229 O TYR A 854 -9.162 -9.447 5.064 1.00 1.67 O ATOM 1230 CB TYR A 854 -5.593 -10.443 5.103 1.00 0.91 C ATOM 1231 CG TYR A 854 -4.893 -9.395 5.954 1.00 0.77 C ATOM 1232 CD1 TYR A 854 -4.295 -8.280 5.378 1.00 0.90 C ATOM 1233 CD2 TYR A 854 -4.847 -9.517 7.335 1.00 0.88 C ATOM 1234 CE1 TYR A 854 -3.679 -7.320 6.160 1.00 0.86 C ATOM 1235 CE2 TYR A 854 -4.224 -8.574 8.119 1.00 0.93 C ATOM 1236 CZ TYR A 854 -3.583 -7.485 7.492 1.00 0.79 C ATOM 1237 OH TYR A 854 -3.053 -6.509 8.312 1.00 0.92 O ATOM 1238 OXT TYR A 854 -7.824 -10.142 6.662 1.00 1.77 O ATOM 0 H TYR A 854 -6.473 -9.003 2.649 1.00 0.99 H new ATOM 0 HA TYR A 854 -7.238 -10.796 3.760 1.00 1.08 H new ATOM 0 HB2 TYR A 854 -5.794 -11.314 5.727 1.00 0.91 H new ATOM 0 HB3 TYR A 854 -4.906 -10.764 4.320 1.00 0.91 H new ATOM 0 HD1 TYR A 854 -4.312 -8.162 4.305 1.00 0.90 H new ATOM 0 HD2 TYR A 854 -5.311 -10.372 7.805 1.00 0.88 H new ATOM 0 HE1 TYR A 854 -3.272 -6.432 5.699 1.00 0.86 H new ATOM 0 HE2 TYR A 854 -4.226 -8.666 9.195 1.00 0.93 H new ATOM 0 HH TYR A 854 -2.570 -5.852 7.768 1.00 0.92 H new