USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 514 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 799 ASN : amide:sc= -2.25! C(o=-1.1!,f=-3.2!) USER MOD Set 1.2: A 803 SER OG : rot -71:sc= 1.2 USER MOD Set 2.1: A 782 THR OG1 : rot 180:sc= 0.0485 USER MOD Set 2.2: A 850 ASN : amide:sc= -4.82! C(o=-4.8!,f=-8.7!) USER MOD Single : A 787 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN : amide:sc= -4.51! K(o=-4.5!,f=-0.4) USER MOD Single : A 796 MET CE :methyl -154:sc=-0.00301 (180deg=-0.675) 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 814 THR OG1 : rot 180:sc= 0 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 TYR OH : rot 180:sc= 0 USER MOD Single : A 819 GLN : amide:sc= -0.325 K(o=-0.32,f=-2.5!) USER MOD Single : A 830 SER OG : rot 180:sc= -0.102 USER MOD Single : A 835 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.5) USER MOD Single : A 838 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 840 MET CE :methyl -129:sc= -0.4 (180deg=-0.963) USER MOD Single : A 844 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.13) USER MOD Single : A 845 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ILE A 780 -6.632 4.239 2.945 1.00 0.79 N ATOM 56 CA ILE A 780 -5.781 3.057 3.042 1.00 0.51 C ATOM 57 C ILE A 780 -5.176 2.704 1.684 1.00 0.46 C ATOM 58 O ILE A 780 -5.079 3.557 0.801 1.00 0.53 O ATOM 59 CB ILE A 780 -6.555 1.837 3.584 1.00 0.43 C ATOM 60 CG1 ILE A 780 -7.932 2.252 4.108 1.00 0.64 C ATOM 61 CG2 ILE A 780 -5.754 1.149 4.680 1.00 0.58 C ATOM 62 CD1 ILE A 780 -9.053 2.005 3.122 1.00 1.22 C ATOM 0 HA ILE A 780 -4.983 3.303 3.742 1.00 0.51 H new ATOM 0 HB ILE A 780 -6.703 1.134 2.764 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -8.141 1.706 5.028 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -7.910 3.311 4.364 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -6.312 0.290 5.054 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -4.799 0.814 4.277 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -5.577 1.850 5.496 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -9.999 2.322 3.560 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -8.867 2.572 2.210 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -9.101 0.942 2.885 1.00 1.22 H new ATOM 74 N PHE A 781 -4.776 1.444 1.522 1.00 0.39 N ATOM 75 CA PHE A 781 -4.189 0.982 0.276 1.00 0.36 C ATOM 76 C PHE A 781 -4.615 -0.452 -0.002 1.00 0.30 C ATOM 77 O PHE A 781 -3.929 -1.403 0.373 1.00 0.35 O ATOM 78 CB PHE A 781 -2.665 1.081 0.333 1.00 0.41 C ATOM 79 CG PHE A 781 -2.070 1.876 -0.794 1.00 0.45 C ATOM 80 CD1 PHE A 781 -2.505 3.166 -1.053 1.00 0.73 C ATOM 81 CD2 PHE A 781 -1.077 1.334 -1.592 1.00 0.81 C ATOM 82 CE1 PHE A 781 -1.960 3.900 -2.089 1.00 0.80 C ATOM 83 CE2 PHE A 781 -0.527 2.063 -2.629 1.00 0.94 C ATOM 84 CZ PHE A 781 -0.969 3.347 -2.878 1.00 0.73 C ATOM 0 H PHE A 781 -4.850 0.727 2.243 1.00 0.39 H new ATOM 0 HA PHE A 781 -4.545 1.618 -0.534 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -2.374 1.536 1.280 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -2.243 0.076 0.319 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -3.278 3.602 -0.438 1.00 0.73 H new ATOM 0 HD2 PHE A 781 -0.728 0.330 -1.402 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -2.308 4.904 -2.282 1.00 0.80 H new ATOM 0 HE2 PHE A 781 0.248 1.629 -3.244 1.00 0.94 H new ATOM 0 HZ PHE A 781 -0.541 3.919 -3.688 1.00 0.73 H new ATOM 94 N THR A 782 -5.758 -0.594 -0.652 1.00 0.28 N ATOM 95 CA THR A 782 -6.300 -1.908 -0.976 1.00 0.29 C ATOM 96 C THR A 782 -5.971 -2.302 -2.410 1.00 0.35 C ATOM 97 O THR A 782 -6.715 -1.992 -3.340 1.00 0.52 O ATOM 98 CB THR A 782 -7.828 -1.942 -0.788 1.00 0.41 C ATOM 99 OG1 THR A 782 -8.321 -0.618 -0.538 1.00 0.67 O ATOM 100 CG2 THR A 782 -8.214 -2.857 0.363 1.00 0.44 C ATOM 0 H THR A 782 -6.333 0.187 -0.968 1.00 0.28 H new ATOM 0 HA THR A 782 -5.837 -2.619 -0.292 1.00 0.29 H new ATOM 0 HB THR A 782 -8.275 -2.330 -1.704 1.00 0.41 H new ATOM 0 HG1 THR A 782 -9.294 -0.648 -0.421 1.00 0.67 H new ATOM 0 HG21 THR A 782 -9.298 -2.863 0.475 1.00 0.44 H new ATOM 0 HG22 THR A 782 -7.865 -3.869 0.157 1.00 0.44 H new ATOM 0 HG23 THR A 782 -7.756 -2.496 1.284 1.00 0.44 H new ATOM 108 N LEU A 783 -4.848 -2.993 -2.577 1.00 0.40 N ATOM 109 CA LEU A 783 -4.410 -3.440 -3.891 1.00 0.56 C ATOM 110 C LEU A 783 -5.024 -4.792 -4.240 1.00 0.58 C ATOM 111 O LEU A 783 -5.203 -5.644 -3.369 1.00 0.99 O ATOM 112 CB LEU A 783 -2.885 -3.543 -3.925 1.00 0.67 C ATOM 113 CG LEU A 783 -2.215 -2.918 -5.146 1.00 0.94 C ATOM 114 CD1 LEU A 783 -1.938 -1.443 -4.907 1.00 1.57 C ATOM 115 CD2 LEU A 783 -0.932 -3.661 -5.474 1.00 1.53 C ATOM 0 H LEU A 783 -4.224 -3.256 -1.814 1.00 0.40 H new ATOM 0 HA LEU A 783 -4.742 -2.709 -4.628 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -2.485 -3.068 -3.029 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -2.607 -4.596 -3.878 1.00 0.67 H new ATOM 0 HG LEU A 783 -2.891 -3.001 -5.997 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -1.460 -1.015 -5.788 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -2.876 -0.923 -4.714 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -1.278 -1.331 -4.047 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -0.462 -3.207 -6.346 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -0.251 -3.604 -4.624 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -1.161 -4.705 -5.687 1.00 1.53 H new ATOM 127 N LEU A 784 -5.337 -4.983 -5.516 1.00 0.27 N ATOM 128 CA LEU A 784 -5.922 -6.235 -5.979 1.00 0.26 C ATOM 129 C LEU A 784 -4.828 -7.253 -6.273 1.00 0.23 C ATOM 130 O LEU A 784 -4.016 -7.064 -7.178 1.00 0.29 O ATOM 131 CB LEU A 784 -6.769 -6.002 -7.231 1.00 0.31 C ATOM 132 CG LEU A 784 -7.457 -7.251 -7.784 1.00 0.51 C ATOM 133 CD1 LEU A 784 -8.951 -7.013 -7.945 1.00 0.81 C ATOM 134 CD2 LEU A 784 -6.833 -7.657 -9.111 1.00 0.75 C ATOM 0 H LEU A 784 -5.195 -4.287 -6.248 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.565 -6.625 -5.190 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -7.531 -5.256 -7.003 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -6.133 -5.581 -8.009 1.00 0.31 H new ATOM 0 HG LEU A 784 -7.316 -8.065 -7.073 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -9.422 -7.913 -8.340 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -9.387 -6.770 -6.976 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -9.115 -6.185 -8.635 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -7.334 -8.547 -9.491 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -6.943 -6.844 -9.829 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -5.774 -7.871 -8.965 1.00 0.75 H new ATOM 146 N VAL A 785 -4.808 -8.324 -5.492 1.00 0.25 N ATOM 147 CA VAL A 785 -3.807 -9.372 -5.656 1.00 0.30 C ATOM 148 C VAL A 785 -4.356 -10.549 -6.455 1.00 0.34 C ATOM 149 O VAL A 785 -5.471 -10.496 -6.976 1.00 0.55 O ATOM 150 CB VAL A 785 -3.303 -9.880 -4.293 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.635 -8.754 -3.519 1.00 1.11 C ATOM 152 CG2 VAL A 785 -4.446 -10.485 -3.488 1.00 1.18 C ATOM 0 H VAL A 785 -5.474 -8.491 -4.737 1.00 0.25 H new ATOM 0 HA VAL A 785 -2.976 -8.929 -6.204 1.00 0.30 H new ATOM 0 HB VAL A 785 -2.563 -10.660 -4.469 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.285 -9.131 -2.558 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -1.788 -8.373 -4.090 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -3.353 -7.950 -3.354 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -4.068 -10.838 -2.528 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -5.213 -9.729 -3.320 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -4.876 -11.322 -4.039 1.00 1.18 H new ATOM 162 N GLU A 786 -3.560 -11.613 -6.547 1.00 0.38 N ATOM 163 CA GLU A 786 -3.957 -12.809 -7.282 1.00 0.42 C ATOM 164 C GLU A 786 -3.660 -14.065 -6.468 1.00 0.46 C ATOM 165 O GLU A 786 -2.958 -14.011 -5.458 1.00 0.48 O ATOM 166 CB GLU A 786 -3.225 -12.872 -8.624 1.00 0.43 C ATOM 167 CG GLU A 786 -3.892 -13.783 -9.642 1.00 0.56 C ATOM 168 CD GLU A 786 -5.016 -13.098 -10.393 1.00 0.75 C ATOM 169 OE1 GLU A 786 -4.720 -12.293 -11.300 1.00 1.02 O ATOM 170 OE2 GLU A 786 -6.194 -13.367 -10.073 1.00 1.40 O ATOM 0 H GLU A 786 -2.635 -11.670 -6.120 1.00 0.38 H new ATOM 0 HA GLU A 786 -5.031 -12.758 -7.464 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -3.158 -11.866 -9.039 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.205 -13.216 -8.455 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -3.145 -14.133 -10.355 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -4.284 -14.664 -9.133 1.00 0.56 H new ATOM 177 N LYS A 787 -4.198 -15.197 -6.915 1.00 0.51 N ATOM 178 CA LYS A 787 -3.989 -16.469 -6.232 1.00 0.57 C ATOM 179 C LYS A 787 -2.659 -17.094 -6.646 1.00 0.60 C ATOM 180 O LYS A 787 -2.598 -18.269 -7.011 1.00 1.07 O ATOM 181 CB LYS A 787 -5.139 -17.431 -6.543 1.00 0.64 C ATOM 182 CG LYS A 787 -6.273 -17.372 -5.535 1.00 1.29 C ATOM 183 CD LYS A 787 -7.451 -16.572 -6.067 1.00 1.49 C ATOM 184 CE LYS A 787 -7.423 -15.138 -5.563 1.00 2.24 C ATOM 185 NZ LYS A 787 -8.583 -14.839 -4.677 1.00 2.85 N ATOM 0 H LYS A 787 -4.783 -15.258 -7.749 1.00 0.51 H new ATOM 0 HA LYS A 787 -3.963 -16.280 -5.159 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -5.533 -17.204 -7.534 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -4.750 -18.449 -6.580 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -6.599 -18.384 -5.293 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -5.915 -16.922 -4.609 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -7.433 -16.576 -7.157 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -8.383 -17.048 -5.762 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -6.495 -14.962 -5.018 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -7.429 -14.454 -6.412 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -8.528 -13.852 -4.354 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -9.468 -14.982 -5.204 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -8.564 -15.474 -3.854 1.00 2.85 H new ATOM 199 N VAL A 788 -1.596 -16.298 -6.592 1.00 0.29 N ATOM 200 CA VAL A 788 -0.267 -16.764 -6.966 1.00 0.29 C ATOM 201 C VAL A 788 0.808 -15.786 -6.496 1.00 0.26 C ATOM 202 O VAL A 788 1.959 -16.165 -6.278 1.00 0.29 O ATOM 203 CB VAL A 788 -0.158 -16.952 -8.496 1.00 0.32 C ATOM 204 CG1 VAL A 788 -0.740 -15.750 -9.224 1.00 0.31 C ATOM 205 CG2 VAL A 788 1.286 -17.186 -8.917 1.00 0.33 C ATOM 0 H VAL A 788 -1.630 -15.324 -6.292 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.109 -17.726 -6.478 1.00 0.29 H new ATOM 0 HB VAL A 788 -0.735 -17.835 -8.770 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -0.655 -15.900 -10.300 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -1.790 -15.636 -8.956 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.193 -14.852 -8.938 1.00 0.31 H new ATOM 0 HG21 VAL A 788 1.333 -17.315 -9.998 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.893 -16.328 -8.627 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.667 -18.082 -8.428 1.00 0.33 H new ATOM 215 N TRP A 789 0.418 -14.524 -6.346 1.00 0.21 N ATOM 216 CA TRP A 789 1.338 -13.480 -5.908 1.00 0.18 C ATOM 217 C TRP A 789 2.058 -13.860 -4.623 1.00 0.18 C ATOM 218 O TRP A 789 1.427 -14.130 -3.602 1.00 0.19 O ATOM 219 CB TRP A 789 0.591 -12.168 -5.689 1.00 0.18 C ATOM 220 CG TRP A 789 0.295 -11.436 -6.960 1.00 0.20 C ATOM 221 CD1 TRP A 789 0.320 -11.947 -8.225 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.061 -10.057 -7.089 1.00 0.22 C ATOM 223 NE1 TRP A 789 0.001 -10.970 -9.132 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.241 -9.799 -8.461 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.249 -9.016 -6.176 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -0.597 -8.540 -8.940 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.603 -7.769 -6.650 1.00 0.28 C ATOM 228 CH2 TRP A 789 -0.774 -7.540 -8.021 1.00 0.30 C ATOM 0 H TRP A 789 -0.533 -14.199 -6.522 1.00 0.21 H new ATOM 0 HA TRP A 789 2.080 -13.359 -6.697 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.345 -12.373 -5.170 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.183 -11.525 -5.037 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.556 -12.971 -8.475 1.00 0.22 H new ATOM 0 HE1 TRP A 789 -0.048 -11.094 -10.143 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.119 -9.184 -5.117 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -0.728 -8.359 -9.997 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -0.750 -6.957 -5.953 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -1.052 -6.553 -8.361 1.00 0.30 H new ATOM 239 N ASN A 790 3.383 -13.842 -4.675 1.00 0.18 N ATOM 240 CA ASN A 790 4.194 -14.147 -3.508 1.00 0.20 C ATOM 241 C ASN A 790 4.510 -12.849 -2.777 1.00 0.18 C ATOM 242 O ASN A 790 4.265 -11.768 -3.308 1.00 0.20 O ATOM 243 CB ASN A 790 5.488 -14.856 -3.916 1.00 0.24 C ATOM 244 CG ASN A 790 5.827 -14.648 -5.379 1.00 0.93 C ATOM 245 OD1 ASN A 790 5.448 -15.448 -6.235 1.00 1.89 O ATOM 246 ND2 ASN A 790 6.545 -13.571 -5.675 1.00 0.77 N ATOM 0 H ASN A 790 3.918 -13.619 -5.514 1.00 0.18 H new ATOM 0 HA ASN A 790 3.641 -14.817 -2.849 1.00 0.20 H new ATOM 0 HB2 ASN A 790 6.309 -14.489 -3.300 1.00 0.24 H new ATOM 0 HB3 ASN A 790 5.392 -15.923 -3.717 1.00 0.24 H new ATOM 0 HD21 ASN A 790 6.803 -13.381 -6.643 1.00 0.77 H new ATOM 0 HD22 ASN A 790 6.838 -12.934 -4.934 1.00 0.77 H new ATOM 253 N PHE A 791 5.046 -12.946 -1.566 1.00 0.20 N ATOM 254 CA PHE A 791 5.377 -11.751 -0.798 1.00 0.20 C ATOM 255 C PHE A 791 6.263 -10.826 -1.619 1.00 0.16 C ATOM 256 O PHE A 791 6.267 -9.612 -1.425 1.00 0.17 O ATOM 257 CB PHE A 791 6.070 -12.131 0.515 1.00 0.26 C ATOM 258 CG PHE A 791 6.586 -10.953 1.294 1.00 0.35 C ATOM 259 CD1 PHE A 791 5.708 -10.052 1.874 1.00 0.44 C ATOM 260 CD2 PHE A 791 7.948 -10.747 1.448 1.00 0.47 C ATOM 261 CE1 PHE A 791 6.177 -8.967 2.589 1.00 0.57 C ATOM 262 CE2 PHE A 791 8.424 -9.664 2.162 1.00 0.59 C ATOM 263 CZ PHE A 791 7.547 -8.779 2.736 1.00 0.63 C ATOM 0 H PHE A 791 5.259 -13.828 -1.099 1.00 0.20 H new ATOM 0 HA PHE A 791 4.453 -11.225 -0.558 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.368 -12.687 1.137 1.00 0.26 H new ATOM 0 HB3 PHE A 791 6.901 -12.801 0.295 1.00 0.26 H new ATOM 0 HD1 PHE A 791 4.644 -10.200 1.766 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.646 -11.442 1.004 1.00 0.47 H new ATOM 0 HE1 PHE A 791 5.483 -8.268 3.032 1.00 0.57 H new ATOM 0 HE2 PHE A 791 9.488 -9.514 2.268 1.00 0.59 H new ATOM 0 HZ PHE A 791 7.920 -7.938 3.301 1.00 0.63 H new ATOM 273 N ASP A 792 6.997 -11.414 -2.556 1.00 0.17 N ATOM 274 CA ASP A 792 7.870 -10.647 -3.430 1.00 0.17 C ATOM 275 C ASP A 792 7.034 -9.822 -4.397 1.00 0.16 C ATOM 276 O ASP A 792 7.061 -8.593 -4.357 1.00 0.19 O ATOM 277 CB ASP A 792 8.800 -11.580 -4.202 1.00 0.22 C ATOM 278 CG ASP A 792 9.372 -12.679 -3.330 1.00 1.17 C ATOM 279 OD1 ASP A 792 8.721 -13.738 -3.205 1.00 2.05 O ATOM 280 OD2 ASP A 792 10.470 -12.482 -2.768 1.00 1.47 O ATOM 0 H ASP A 792 7.004 -12.419 -2.728 1.00 0.17 H new ATOM 0 HA ASP A 792 8.478 -9.977 -2.823 1.00 0.17 H new ATOM 0 HB2 ASP A 792 8.254 -12.027 -5.033 1.00 0.22 H new ATOM 0 HB3 ASP A 792 9.616 -11.000 -4.632 1.00 0.22 H new ATOM 285 N ASP A 793 6.279 -10.507 -5.255 1.00 0.17 N ATOM 286 CA ASP A 793 5.420 -9.837 -6.224 1.00 0.18 C ATOM 287 C ASP A 793 4.514 -8.834 -5.523 1.00 0.17 C ATOM 288 O ASP A 793 4.136 -7.813 -6.097 1.00 0.24 O ATOM 289 CB ASP A 793 4.577 -10.859 -6.987 1.00 0.19 C ATOM 290 CG ASP A 793 4.487 -10.546 -8.468 1.00 0.56 C ATOM 291 OD1 ASP A 793 5.507 -10.702 -9.170 1.00 1.04 O ATOM 292 OD2 ASP A 793 3.396 -10.144 -8.925 1.00 1.07 O ATOM 0 H ASP A 793 6.246 -11.526 -5.297 1.00 0.17 H new ATOM 0 HA ASP A 793 6.052 -9.304 -6.934 1.00 0.18 H new ATOM 0 HB2 ASP A 793 5.007 -11.852 -6.854 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.573 -10.887 -6.563 1.00 0.19 H new ATOM 297 N LEU A 794 4.181 -9.131 -4.270 1.00 0.14 N ATOM 298 CA LEU A 794 3.332 -8.252 -3.479 1.00 0.15 C ATOM 299 C LEU A 794 4.048 -6.941 -3.190 1.00 0.15 C ATOM 300 O LEU A 794 3.531 -5.859 -3.469 1.00 0.17 O ATOM 301 CB LEU A 794 2.948 -8.918 -2.154 1.00 0.19 C ATOM 302 CG LEU A 794 1.877 -8.178 -1.354 1.00 0.26 C ATOM 303 CD1 LEU A 794 0.582 -8.078 -2.149 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.638 -8.866 -0.019 1.00 0.70 C ATOM 0 H LEU A 794 4.487 -9.973 -3.783 1.00 0.14 H new ATOM 0 HA LEU A 794 2.428 -8.053 -4.055 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.595 -9.928 -2.360 1.00 0.19 H new ATOM 0 HB3 LEU A 794 3.842 -9.012 -1.538 1.00 0.19 H new ATOM 0 HG LEU A 794 2.233 -7.166 -1.159 1.00 0.26 H new ATOM 0 HD11 LEU A 794 -0.166 -7.548 -1.560 1.00 0.93 H new ATOM 0 HD12 LEU A 794 0.765 -7.536 -3.076 1.00 0.93 H new ATOM 0 HD13 LEU A 794 0.219 -9.079 -2.380 1.00 0.93 H new ATOM 0 HD21 LEU A 794 0.872 -8.325 0.537 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.306 -9.890 -0.192 1.00 0.70 H new ATOM 0 HD23 LEU A 794 2.564 -8.877 0.556 1.00 0.70 H new ATOM 316 N ILE A 795 5.242 -7.052 -2.620 1.00 0.19 N ATOM 317 CA ILE A 795 6.043 -5.888 -2.276 1.00 0.22 C ATOM 318 C ILE A 795 6.361 -5.042 -3.504 1.00 0.21 C ATOM 319 O ILE A 795 6.452 -3.823 -3.411 1.00 0.23 O ATOM 320 CB ILE A 795 7.348 -6.302 -1.572 1.00 0.26 C ATOM 321 CG1 ILE A 795 7.049 -6.828 -0.165 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.329 -5.137 -1.509 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.302 -5.843 0.712 1.00 0.32 C ATOM 0 H ILE A 795 5.678 -7.944 -2.386 1.00 0.19 H new ATOM 0 HA ILE A 795 5.450 -5.284 -1.590 1.00 0.22 H new ATOM 0 HB ILE A 795 7.810 -7.100 -2.153 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.463 -7.744 -0.247 1.00 0.30 H new ATOM 0 HG13 ILE A 795 7.988 -7.093 0.321 1.00 0.30 H new ATOM 0 HG21 ILE A 795 9.242 -5.457 -1.007 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.567 -4.807 -2.520 1.00 0.28 H new ATOM 0 HG23 ILE A 795 7.880 -4.313 -0.955 1.00 0.28 H new ATOM 0 HD11 ILE A 795 6.127 -6.288 1.692 1.00 0.32 H new ATOM 0 HD12 ILE A 795 6.895 -4.935 0.826 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.346 -5.597 0.250 1.00 0.32 H new ATOM 335 N MET A 796 6.520 -5.687 -4.656 1.00 0.23 N ATOM 336 CA MET A 796 6.818 -4.965 -5.888 1.00 0.26 C ATOM 337 C MET A 796 5.621 -4.127 -6.318 1.00 0.23 C ATOM 338 O MET A 796 5.746 -2.925 -6.544 1.00 0.22 O ATOM 339 CB MET A 796 7.201 -5.935 -7.007 1.00 0.36 C ATOM 340 CG MET A 796 8.164 -7.023 -6.565 1.00 0.46 C ATOM 341 SD MET A 796 9.077 -7.744 -7.944 1.00 0.67 S ATOM 342 CE MET A 796 9.006 -9.484 -7.525 1.00 1.53 C ATOM 0 H MET A 796 6.448 -6.699 -4.762 1.00 0.23 H new ATOM 0 HA MET A 796 7.663 -4.304 -5.695 1.00 0.26 H new ATOM 0 HB2 MET A 796 6.296 -6.400 -7.399 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.651 -5.373 -7.825 1.00 0.36 H new ATOM 0 HG2 MET A 796 8.869 -6.608 -5.845 1.00 0.46 H new ATOM 0 HG3 MET A 796 7.609 -7.808 -6.052 1.00 0.46 H new ATOM 0 HE1 MET A 796 9.858 -10.000 -7.968 1.00 1.53 H new ATOM 0 HE2 MET A 796 9.035 -9.599 -6.441 1.00 1.53 H new ATOM 0 HE3 MET A 796 8.081 -9.914 -7.911 1.00 1.53 H new ATOM 352 N ALA A 797 4.458 -4.770 -6.418 1.00 0.26 N ATOM 353 CA ALA A 797 3.236 -4.076 -6.805 1.00 0.30 C ATOM 354 C ALA A 797 3.013 -2.870 -5.903 1.00 0.28 C ATOM 355 O ALA A 797 2.846 -1.744 -6.378 1.00 0.30 O ATOM 356 CB ALA A 797 2.047 -5.022 -6.737 1.00 0.38 C ATOM 0 H ALA A 797 4.339 -5.767 -6.237 1.00 0.26 H new ATOM 0 HA ALA A 797 3.338 -3.728 -7.833 1.00 0.30 H new ATOM 0 HB1 ALA A 797 1.142 -4.490 -7.029 1.00 0.38 H new ATOM 0 HB2 ALA A 797 2.210 -5.860 -7.415 1.00 0.38 H new ATOM 0 HB3 ALA A 797 1.937 -5.395 -5.719 1.00 0.38 H new ATOM 362 N ILE A 798 3.034 -3.114 -4.597 1.00 0.27 N ATOM 363 CA ILE A 798 2.861 -2.058 -3.616 1.00 0.31 C ATOM 364 C ILE A 798 3.907 -0.970 -3.811 1.00 0.29 C ATOM 365 O ILE A 798 3.581 0.213 -3.913 1.00 0.33 O ATOM 366 CB ILE A 798 2.985 -2.609 -2.187 1.00 0.35 C ATOM 367 CG1 ILE A 798 1.834 -3.569 -1.887 1.00 0.40 C ATOM 368 CG2 ILE A 798 3.028 -1.469 -1.178 1.00 0.42 C ATOM 369 CD1 ILE A 798 1.970 -4.283 -0.558 1.00 0.50 C ATOM 0 H ILE A 798 3.170 -4.042 -4.195 1.00 0.27 H new ATOM 0 HA ILE A 798 1.864 -1.641 -3.758 1.00 0.31 H new ATOM 0 HB ILE A 798 3.919 -3.165 -2.104 1.00 0.35 H new ATOM 0 HG12 ILE A 798 0.896 -3.013 -1.897 1.00 0.40 H new ATOM 0 HG13 ILE A 798 1.773 -4.310 -2.684 1.00 0.40 H new ATOM 0 HG21 ILE A 798 3.116 -1.877 -0.171 1.00 0.42 H new ATOM 0 HG22 ILE A 798 3.886 -0.830 -1.387 1.00 0.42 H new ATOM 0 HG23 ILE A 798 2.113 -0.882 -1.253 1.00 0.42 H new ATOM 0 HD11 ILE A 798 1.118 -4.947 -0.413 1.00 0.50 H new ATOM 0 HD12 ILE A 798 2.890 -4.867 -0.551 1.00 0.50 H new ATOM 0 HD13 ILE A 798 2.000 -3.550 0.248 1.00 0.50 H new ATOM 381 N ASN A 799 5.167 -1.389 -3.854 1.00 0.25 N ATOM 382 CA ASN A 799 6.281 -0.466 -4.026 1.00 0.29 C ATOM 383 C ASN A 799 6.101 0.397 -5.271 1.00 0.27 C ATOM 384 O ASN A 799 6.571 1.533 -5.320 1.00 0.36 O ATOM 385 CB ASN A 799 7.596 -1.236 -4.119 1.00 0.30 C ATOM 386 CG ASN A 799 8.708 -0.588 -3.318 1.00 0.38 C ATOM 387 OD1 ASN A 799 9.300 0.404 -3.745 1.00 0.81 O ATOM 388 ND2 ASN A 799 8.998 -1.147 -2.149 1.00 0.78 N ATOM 0 H ASN A 799 5.442 -2.368 -3.772 1.00 0.25 H new ATOM 0 HA ASN A 799 6.305 0.190 -3.156 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.442 -2.255 -3.763 1.00 0.30 H new ATOM 0 HB3 ASN A 799 7.899 -1.306 -5.164 1.00 0.30 H new ATOM 0 HD21 ASN A 799 9.737 -0.755 -1.566 1.00 0.78 H new ATOM 0 HD22 ASN A 799 8.482 -1.968 -1.834 1.00 0.78 H new ATOM 395 N SER A 800 5.423 -0.146 -6.274 1.00 0.22 N ATOM 396 CA SER A 800 5.189 0.579 -7.517 1.00 0.25 C ATOM 397 C SER A 800 4.101 1.633 -7.339 1.00 0.28 C ATOM 398 O SER A 800 4.069 2.631 -8.059 1.00 0.33 O ATOM 399 CB SER A 800 4.799 -0.391 -8.634 1.00 0.28 C ATOM 400 OG SER A 800 4.405 0.307 -9.801 1.00 0.98 O ATOM 0 H SER A 800 5.026 -1.085 -6.252 1.00 0.22 H new ATOM 0 HA SER A 800 6.115 1.084 -7.791 1.00 0.25 H new ATOM 0 HB2 SER A 800 5.641 -1.043 -8.864 1.00 0.28 H new ATOM 0 HB3 SER A 800 3.983 -1.030 -8.296 1.00 0.28 H new ATOM 0 HG SER A 800 4.162 -0.335 -10.500 1.00 0.98 H new ATOM 406 N LYS A 801 3.207 1.400 -6.384 1.00 0.30 N ATOM 407 CA LYS A 801 2.113 2.330 -6.123 1.00 0.37 C ATOM 408 C LYS A 801 2.396 3.201 -4.900 1.00 0.40 C ATOM 409 O LYS A 801 1.583 4.050 -4.536 1.00 0.49 O ATOM 410 CB LYS A 801 0.803 1.565 -5.924 1.00 0.42 C ATOM 411 CG LYS A 801 0.194 1.058 -7.222 1.00 0.67 C ATOM 412 CD LYS A 801 -0.554 2.160 -7.954 1.00 1.05 C ATOM 413 CE LYS A 801 -1.825 1.633 -8.605 1.00 1.43 C ATOM 414 NZ LYS A 801 -2.710 2.736 -9.068 1.00 2.25 N ATOM 0 H LYS A 801 3.218 0.578 -5.780 1.00 0.30 H new ATOM 0 HA LYS A 801 2.022 2.984 -6.990 1.00 0.37 H new ATOM 0 HB2 LYS A 801 0.983 0.719 -5.261 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.084 2.214 -5.424 1.00 0.42 H new ATOM 0 HG2 LYS A 801 0.981 0.662 -7.864 1.00 0.67 H new ATOM 0 HG3 LYS A 801 -0.487 0.234 -7.008 1.00 0.67 H new ATOM 0 HD2 LYS A 801 -0.806 2.957 -7.255 1.00 1.05 H new ATOM 0 HD3 LYS A 801 0.092 2.596 -8.716 1.00 1.05 H new ATOM 0 HE2 LYS A 801 -1.563 0.998 -9.451 1.00 1.43 H new ATOM 0 HE3 LYS A 801 -2.365 1.008 -7.893 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 -3.564 2.335 -9.505 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 -2.981 3.327 -8.257 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 -2.204 3.317 -9.766 1.00 2.25 H new ATOM 428 N ILE A 802 3.549 2.990 -4.267 1.00 0.39 N ATOM 429 CA ILE A 802 3.918 3.768 -3.086 1.00 0.45 C ATOM 430 C ILE A 802 5.177 4.597 -3.329 1.00 0.50 C ATOM 431 O ILE A 802 5.377 5.636 -2.698 1.00 0.60 O ATOM 432 CB ILE A 802 4.139 2.865 -1.855 1.00 0.47 C ATOM 433 CG1 ILE A 802 5.329 1.935 -2.074 1.00 0.42 C ATOM 434 CG2 ILE A 802 2.883 2.064 -1.551 1.00 0.49 C ATOM 435 CD1 ILE A 802 5.948 1.430 -0.787 1.00 0.75 C ATOM 0 H ILE A 802 4.238 2.293 -4.549 1.00 0.39 H new ATOM 0 HA ILE A 802 3.082 4.439 -2.888 1.00 0.45 H new ATOM 0 HB ILE A 802 4.358 3.502 -0.998 1.00 0.47 H new ATOM 0 HG12 ILE A 802 5.008 1.082 -2.672 1.00 0.42 H new ATOM 0 HG13 ILE A 802 6.089 2.461 -2.651 1.00 0.42 H new ATOM 0 HG21 ILE A 802 3.056 1.432 -0.680 1.00 0.49 H new ATOM 0 HG22 ILE A 802 2.057 2.746 -1.347 1.00 0.49 H new ATOM 0 HG23 ILE A 802 2.634 1.439 -2.408 1.00 0.49 H new ATOM 0 HD11 ILE A 802 6.788 0.775 -1.020 1.00 0.75 H new ATOM 0 HD12 ILE A 802 6.300 2.276 -0.196 1.00 0.75 H new ATOM 0 HD13 ILE A 802 5.202 0.875 -0.218 1.00 0.75 H new ATOM 447 N SER A 803 6.024 4.137 -4.246 1.00 0.45 N ATOM 448 CA SER A 803 7.262 4.844 -4.564 1.00 0.53 C ATOM 449 C SER A 803 7.320 5.213 -6.043 1.00 0.61 C ATOM 450 O SER A 803 8.389 5.219 -6.653 1.00 1.19 O ATOM 451 CB SER A 803 8.475 3.989 -4.190 1.00 0.60 C ATOM 452 OG SER A 803 8.741 3.010 -5.179 1.00 1.53 O ATOM 0 H SER A 803 5.877 3.281 -4.781 1.00 0.45 H new ATOM 0 HA SER A 803 7.281 5.765 -3.981 1.00 0.53 H new ATOM 0 HB2 SER A 803 9.349 4.629 -4.065 1.00 0.60 H new ATOM 0 HB3 SER A 803 8.297 3.501 -3.232 1.00 0.60 H new ATOM 0 HG SER A 803 8.043 2.323 -5.155 1.00 1.53 H new ATOM 576 N PRO A 812 11.433 3.541 -0.239 1.00 0.70 N ATOM 577 CA PRO A 812 10.426 2.478 -0.306 1.00 0.66 C ATOM 578 C PRO A 812 10.181 1.828 1.050 1.00 0.62 C ATOM 579 O PRO A 812 10.782 2.214 2.053 1.00 0.73 O ATOM 580 CB PRO A 812 11.040 1.471 -1.274 1.00 0.70 C ATOM 581 CG PRO A 812 12.510 1.656 -1.124 1.00 0.95 C ATOM 582 CD PRO A 812 12.718 3.120 -0.835 1.00 0.77 C ATOM 0 HA PRO A 812 9.454 2.856 -0.621 1.00 0.66 H new ATOM 0 HB2 PRO A 812 10.741 0.452 -1.028 1.00 0.70 H new ATOM 0 HB3 PRO A 812 10.719 1.659 -2.299 1.00 0.70 H new ATOM 0 HG2 PRO A 812 12.900 1.039 -0.314 1.00 0.95 H new ATOM 0 HG3 PRO A 812 13.035 1.359 -2.032 1.00 0.95 H new ATOM 0 HD2 PRO A 812 13.550 3.279 -0.149 1.00 0.77 H new ATOM 0 HD3 PRO A 812 12.942 3.680 -1.743 1.00 0.77 H new ATOM 590 N ILE A 813 9.291 0.841 1.073 1.00 0.62 N ATOM 591 CA ILE A 813 8.963 0.137 2.307 1.00 0.61 C ATOM 592 C ILE A 813 9.074 -1.374 2.131 1.00 0.59 C ATOM 593 O ILE A 813 8.881 -1.897 1.033 1.00 0.75 O ATOM 594 CB ILE A 813 7.542 0.481 2.793 1.00 0.70 C ATOM 595 CG1 ILE A 813 7.189 1.927 2.431 1.00 1.22 C ATOM 596 CG2 ILE A 813 7.433 0.257 4.294 1.00 1.05 C ATOM 597 CD1 ILE A 813 5.823 2.365 2.917 1.00 1.94 C ATOM 0 H ILE A 813 8.784 0.511 0.251 1.00 0.62 H new ATOM 0 HA ILE A 813 9.685 0.466 3.054 1.00 0.61 H new ATOM 0 HB ILE A 813 6.830 -0.177 2.294 1.00 0.70 H new ATOM 0 HG12 ILE A 813 7.944 2.591 2.852 1.00 1.22 H new ATOM 0 HG13 ILE A 813 7.232 2.041 1.348 1.00 1.22 H new ATOM 0 HG21 ILE A 813 6.425 0.503 4.626 1.00 1.05 H new ATOM 0 HG22 ILE A 813 7.645 -0.787 4.522 1.00 1.05 H new ATOM 0 HG23 ILE A 813 8.151 0.894 4.810 1.00 1.05 H new ATOM 0 HD11 ILE A 813 5.646 3.399 2.622 1.00 1.94 H new ATOM 0 HD12 ILE A 813 5.058 1.726 2.476 1.00 1.94 H new ATOM 0 HD13 ILE A 813 5.780 2.285 4.003 1.00 1.94 H new ATOM 609 N THR A 814 9.381 -2.068 3.224 1.00 0.49 N ATOM 610 CA THR A 814 9.514 -3.521 3.201 1.00 0.49 C ATOM 611 C THR A 814 8.506 -4.173 4.142 1.00 0.47 C ATOM 612 O THR A 814 7.538 -4.791 3.700 1.00 0.54 O ATOM 613 CB THR A 814 10.935 -3.961 3.601 1.00 0.53 C ATOM 614 OG1 THR A 814 11.588 -2.909 4.320 1.00 1.16 O ATOM 615 CG2 THR A 814 11.755 -4.327 2.373 1.00 1.07 C ATOM 0 H THR A 814 9.543 -1.646 4.138 1.00 0.49 H new ATOM 0 HA THR A 814 9.319 -3.845 2.179 1.00 0.49 H new ATOM 0 HB THR A 814 10.853 -4.841 4.239 1.00 0.53 H new ATOM 0 HG1 THR A 814 12.490 -3.196 4.573 1.00 1.16 H new ATOM 0 HG21 THR A 814 12.754 -4.634 2.681 1.00 1.07 H new ATOM 0 HG22 THR A 814 11.270 -5.147 1.843 1.00 1.07 H new ATOM 0 HG23 THR A 814 11.829 -3.462 1.714 1.00 1.07 H new ATOM 623 N LYS A 815 8.738 -4.025 5.443 1.00 0.42 N ATOM 624 CA LYS A 815 7.848 -4.591 6.450 1.00 0.42 C ATOM 625 C LYS A 815 6.670 -3.658 6.710 1.00 0.40 C ATOM 626 O LYS A 815 6.851 -2.456 6.907 1.00 0.48 O ATOM 627 CB LYS A 815 8.618 -4.845 7.749 1.00 0.49 C ATOM 628 CG LYS A 815 7.742 -5.323 8.898 1.00 0.89 C ATOM 629 CD LYS A 815 8.489 -5.279 10.222 1.00 1.30 C ATOM 630 CE LYS A 815 7.610 -4.751 11.343 1.00 1.97 C ATOM 631 NZ LYS A 815 8.414 -4.140 12.437 1.00 2.69 N ATOM 0 H LYS A 815 9.536 -3.517 5.824 1.00 0.42 H new ATOM 0 HA LYS A 815 7.461 -5.539 6.077 1.00 0.42 H new ATOM 0 HB2 LYS A 815 9.393 -5.588 7.562 1.00 0.49 H new ATOM 0 HB3 LYS A 815 9.123 -3.926 8.047 1.00 0.49 H new ATOM 0 HG2 LYS A 815 6.850 -4.700 8.961 1.00 0.89 H new ATOM 0 HG3 LYS A 815 7.406 -6.341 8.702 1.00 0.89 H new ATOM 0 HD2 LYS A 815 8.841 -6.279 10.475 1.00 1.30 H new ATOM 0 HD3 LYS A 815 9.371 -4.647 10.122 1.00 1.30 H new ATOM 0 HE2 LYS A 815 6.918 -4.010 10.943 1.00 1.97 H new ATOM 0 HE3 LYS A 815 7.007 -5.565 11.746 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 7.778 -3.792 13.182 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 9.057 -4.854 12.836 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 8.970 -3.347 12.058 1.00 2.69 H new ATOM 645 N ILE A 816 5.462 -4.217 6.703 1.00 0.36 N ATOM 646 CA ILE A 816 4.256 -3.429 6.932 1.00 0.38 C ATOM 647 C ILE A 816 3.148 -4.273 7.555 1.00 0.33 C ATOM 648 O ILE A 816 3.353 -5.441 7.886 1.00 0.37 O ATOM 649 CB ILE A 816 3.731 -2.808 5.620 1.00 0.41 C ATOM 650 CG1 ILE A 816 4.027 -3.729 4.434 1.00 0.59 C ATOM 651 CG2 ILE A 816 4.348 -1.436 5.398 1.00 0.84 C ATOM 652 CD1 ILE A 816 2.953 -4.767 4.189 1.00 0.53 C ATOM 0 H ILE A 816 5.294 -5.210 6.542 1.00 0.36 H new ATOM 0 HA ILE A 816 4.532 -2.632 7.622 1.00 0.38 H new ATOM 0 HB ILE A 816 2.650 -2.691 5.702 1.00 0.41 H new ATOM 0 HG12 ILE A 816 4.147 -3.123 3.536 1.00 0.59 H new ATOM 0 HG13 ILE A 816 4.977 -4.235 4.606 1.00 0.59 H new ATOM 0 HG21 ILE A 816 3.967 -1.012 4.469 1.00 0.84 H new ATOM 0 HG22 ILE A 816 4.087 -0.781 6.229 1.00 0.84 H new ATOM 0 HG23 ILE A 816 5.432 -1.530 5.337 1.00 0.84 H new ATOM 0 HD11 ILE A 816 3.231 -5.383 3.334 1.00 0.53 H new ATOM 0 HD12 ILE A 816 2.848 -5.398 5.072 1.00 0.53 H new ATOM 0 HD13 ILE A 816 2.005 -4.269 3.985 1.00 0.53 H new ATOM 664 N LYS A 817 1.972 -3.672 7.702 1.00 0.32 N ATOM 665 CA LYS A 817 0.819 -4.356 8.274 1.00 0.31 C ATOM 666 C LYS A 817 -0.291 -4.473 7.236 1.00 0.32 C ATOM 667 O LYS A 817 -0.172 -3.948 6.129 1.00 0.59 O ATOM 668 CB LYS A 817 0.307 -3.603 9.505 1.00 0.37 C ATOM 669 CG LYS A 817 1.314 -3.536 10.643 1.00 0.39 C ATOM 670 CD LYS A 817 0.749 -4.121 11.928 1.00 0.38 C ATOM 671 CE LYS A 817 1.659 -3.841 13.113 1.00 0.50 C ATOM 672 NZ LYS A 817 0.907 -3.815 14.397 1.00 0.85 N ATOM 0 H LYS A 817 1.792 -2.705 7.430 1.00 0.32 H new ATOM 0 HA LYS A 817 1.126 -5.356 8.579 1.00 0.31 H new ATOM 0 HB2 LYS A 817 0.035 -2.589 9.212 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.602 -4.086 9.864 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.217 -4.078 10.362 1.00 0.39 H new ATOM 0 HG3 LYS A 817 1.604 -2.499 10.812 1.00 0.39 H new ATOM 0 HD2 LYS A 817 -0.238 -3.700 12.118 1.00 0.38 H new ATOM 0 HD3 LYS A 817 0.619 -5.197 11.813 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.435 -4.604 13.163 1.00 0.50 H new ATOM 0 HE3 LYS A 817 2.161 -2.885 12.967 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 1.564 -3.621 15.180 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 0.183 -3.070 14.360 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 0.449 -4.736 14.550 1.00 0.85 H new ATOM 686 N TYR A 818 -1.368 -5.161 7.595 1.00 0.23 N ATOM 687 CA TYR A 818 -2.492 -5.336 6.683 1.00 0.22 C ATOM 688 C TYR A 818 -3.810 -5.425 7.446 1.00 0.23 C ATOM 689 O TYR A 818 -3.825 -5.602 8.662 1.00 0.31 O ATOM 690 CB TYR A 818 -2.291 -6.590 5.827 1.00 0.26 C ATOM 691 CG TYR A 818 -2.438 -7.888 6.590 1.00 0.30 C ATOM 692 CD1 TYR A 818 -1.432 -8.338 7.435 1.00 0.46 C ATOM 693 CD2 TYR A 818 -3.583 -8.663 6.463 1.00 0.41 C ATOM 694 CE1 TYR A 818 -1.563 -9.524 8.132 1.00 0.58 C ATOM 695 CE2 TYR A 818 -3.722 -9.851 7.155 1.00 0.51 C ATOM 696 CZ TYR A 818 -2.710 -10.277 7.988 1.00 0.56 C ATOM 697 OH TYR A 818 -2.844 -11.459 8.679 1.00 0.71 O ATOM 0 H TYR A 818 -1.487 -5.605 8.506 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.536 -4.464 6.030 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -3.011 -6.578 5.009 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.298 -6.555 5.378 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -0.532 -7.751 7.549 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -4.379 -8.332 5.812 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -0.772 -9.860 8.786 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -4.619 -10.442 7.044 1.00 0.51 H new ATOM 0 HH TYR A 818 -3.710 -11.866 8.467 1.00 0.71 H new ATOM 707 N GLN A 819 -4.914 -5.301 6.718 1.00 0.27 N ATOM 708 CA GLN A 819 -6.241 -5.364 7.312 1.00 0.34 C ATOM 709 C GLN A 819 -6.818 -6.767 7.185 1.00 0.40 C ATOM 710 O GLN A 819 -7.184 -7.207 6.095 1.00 0.45 O ATOM 711 CB GLN A 819 -7.172 -4.354 6.640 1.00 0.44 C ATOM 712 CG GLN A 819 -8.567 -4.312 7.245 1.00 0.56 C ATOM 713 CD GLN A 819 -8.837 -3.029 8.006 1.00 1.14 C ATOM 714 OE1 GLN A 819 -7.954 -2.183 8.157 1.00 1.91 O ATOM 715 NE2 GLN A 819 -10.064 -2.877 8.492 1.00 1.44 N ATOM 0 H GLN A 819 -4.914 -5.155 5.708 1.00 0.27 H new ATOM 0 HA GLN A 819 -6.155 -5.116 8.370 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -6.726 -3.362 6.707 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.252 -4.596 5.580 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -9.306 -4.421 6.451 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.693 -5.161 7.917 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -10.765 -3.603 8.344 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -10.305 -2.034 9.014 1.00 1.44 H new ATOM 724 N ASP A 820 -6.891 -7.463 8.309 1.00 0.43 N ATOM 725 CA ASP A 820 -7.420 -8.824 8.335 1.00 0.53 C ATOM 726 C ASP A 820 -8.947 -8.820 8.308 1.00 0.62 C ATOM 727 O ASP A 820 -9.572 -7.763 8.224 1.00 0.65 O ATOM 728 CB ASP A 820 -6.910 -9.567 9.574 1.00 0.58 C ATOM 729 CG ASP A 820 -7.889 -9.521 10.730 1.00 1.13 C ATOM 730 OD1 ASP A 820 -8.201 -8.405 11.198 1.00 1.80 O ATOM 731 OD2 ASP A 820 -8.345 -10.599 11.167 1.00 1.34 O ATOM 0 H ASP A 820 -6.591 -7.110 9.218 1.00 0.43 H new ATOM 0 HA ASP A 820 -7.068 -9.343 7.443 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -6.712 -10.606 9.313 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -5.962 -9.131 9.889 1.00 0.58 H new ATOM 736 N GLU A 821 -9.541 -10.011 8.366 1.00 0.71 N ATOM 737 CA GLU A 821 -10.994 -10.143 8.337 1.00 0.82 C ATOM 738 C GLU A 821 -11.596 -10.038 9.737 1.00 0.83 C ATOM 739 O GLU A 821 -12.598 -10.684 10.040 1.00 0.97 O ATOM 740 CB GLU A 821 -11.389 -11.478 7.703 1.00 0.96 C ATOM 741 CG GLU A 821 -10.828 -12.688 8.432 1.00 1.10 C ATOM 742 CD GLU A 821 -11.682 -13.928 8.252 1.00 1.30 C ATOM 743 OE1 GLU A 821 -12.667 -14.082 9.003 1.00 1.53 O ATOM 744 OE2 GLU A 821 -11.365 -14.742 7.360 1.00 1.62 O ATOM 0 H GLU A 821 -9.038 -10.896 8.433 1.00 0.71 H new ATOM 0 HA GLU A 821 -11.389 -9.323 7.737 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -12.476 -11.551 7.678 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -11.045 -11.496 6.669 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -9.820 -12.890 8.069 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -10.745 -12.460 9.495 1.00 1.10 H new ATOM 751 N ASP A 822 -10.984 -9.216 10.582 1.00 0.79 N ATOM 752 CA ASP A 822 -11.469 -9.028 11.945 1.00 0.81 C ATOM 753 C ASP A 822 -11.389 -7.559 12.349 1.00 0.73 C ATOM 754 O ASP A 822 -11.490 -7.225 13.530 1.00 0.78 O ATOM 755 CB ASP A 822 -10.663 -9.883 12.925 1.00 0.86 C ATOM 756 CG ASP A 822 -11.503 -10.383 14.082 1.00 1.20 C ATOM 757 OD1 ASP A 822 -12.643 -10.834 13.838 1.00 1.65 O ATOM 758 OD2 ASP A 822 -11.022 -10.326 15.234 1.00 1.56 O ATOM 0 H ASP A 822 -10.154 -8.671 10.349 1.00 0.79 H new ATOM 0 HA ASP A 822 -12.512 -9.343 11.978 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -10.237 -10.734 12.394 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -9.828 -9.298 13.312 1.00 0.86 H new ATOM 763 N GLY A 823 -11.210 -6.688 11.361 1.00 0.68 N ATOM 764 CA GLY A 823 -11.119 -5.265 11.631 1.00 0.70 C ATOM 765 C GLY A 823 -9.965 -4.929 12.555 1.00 0.67 C ATOM 766 O GLY A 823 -10.168 -4.366 13.631 1.00 0.88 O ATOM 0 H GLY A 823 -11.126 -6.943 10.377 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -10.998 -4.726 10.691 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -12.052 -4.922 12.078 1.00 0.70 H new ATOM 770 N ASP A 824 -8.754 -5.277 12.133 1.00 0.54 N ATOM 771 CA ASP A 824 -7.561 -5.016 12.923 1.00 0.57 C ATOM 772 C ASP A 824 -6.307 -5.275 12.097 1.00 0.55 C ATOM 773 O ASP A 824 -6.190 -6.303 11.427 1.00 0.93 O ATOM 774 CB ASP A 824 -7.548 -5.895 14.176 1.00 0.65 C ATOM 775 CG ASP A 824 -7.117 -5.133 15.413 1.00 1.15 C ATOM 776 OD1 ASP A 824 -5.939 -4.726 15.478 1.00 1.48 O ATOM 777 OD2 ASP A 824 -7.959 -4.942 16.317 1.00 1.86 O ATOM 0 H ASP A 824 -8.575 -5.743 11.243 1.00 0.54 H new ATOM 0 HA ASP A 824 -7.574 -3.969 13.225 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -8.544 -6.309 14.336 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -6.874 -6.737 14.018 1.00 0.65 H new ATOM 782 N PHE A 825 -5.375 -4.333 12.144 1.00 0.42 N ATOM 783 CA PHE A 825 -4.130 -4.454 11.397 1.00 0.37 C ATOM 784 C PHE A 825 -3.201 -5.476 12.044 1.00 0.38 C ATOM 785 O PHE A 825 -2.900 -5.395 13.236 1.00 0.44 O ATOM 786 CB PHE A 825 -3.427 -3.100 11.303 1.00 0.39 C ATOM 787 CG PHE A 825 -4.080 -2.147 10.342 1.00 0.41 C ATOM 788 CD1 PHE A 825 -4.106 -2.422 8.983 1.00 0.38 C ATOM 789 CD2 PHE A 825 -4.667 -0.978 10.796 1.00 0.59 C ATOM 790 CE1 PHE A 825 -4.707 -1.547 8.097 1.00 0.43 C ATOM 791 CE2 PHE A 825 -5.269 -0.100 9.915 1.00 0.64 C ATOM 792 CZ PHE A 825 -5.289 -0.384 8.564 1.00 0.52 C ATOM 0 H PHE A 825 -5.457 -3.476 12.692 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.376 -4.797 10.392 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.402 -2.644 12.293 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.392 -3.258 10.998 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -3.652 -3.329 8.613 1.00 0.38 H new ATOM 0 HD2 PHE A 825 -4.654 -0.750 11.852 1.00 0.59 H new ATOM 0 HE1 PHE A 825 -4.722 -1.772 7.041 1.00 0.43 H new ATOM 0 HE2 PHE A 825 -5.724 0.808 10.283 1.00 0.64 H new ATOM 0 HZ PHE A 825 -5.758 0.301 7.874 1.00 0.52 H new ATOM 802 N VAL A 826 -2.753 -6.439 11.247 1.00 0.38 N ATOM 803 CA VAL A 826 -1.864 -7.483 11.721 1.00 0.45 C ATOM 804 C VAL A 826 -0.456 -7.295 11.171 1.00 0.36 C ATOM 805 O VAL A 826 -0.230 -6.463 10.292 1.00 0.31 O ATOM 806 CB VAL A 826 -2.378 -8.868 11.315 1.00 0.54 C ATOM 807 CG1 VAL A 826 -1.948 -9.906 12.325 1.00 0.97 C ATOM 808 CG2 VAL A 826 -3.891 -8.862 11.155 1.00 0.79 C ATOM 0 H VAL A 826 -2.997 -6.515 10.259 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.837 -7.413 12.808 1.00 0.45 H new ATOM 0 HB VAL A 826 -1.942 -9.125 10.350 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -2.321 -10.884 12.022 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -0.860 -9.933 12.378 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -2.353 -9.650 13.304 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -4.230 -9.857 10.867 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -4.356 -8.580 12.100 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -4.172 -8.145 10.384 1.00 0.79 H new ATOM 818 N VAL A 827 0.487 -8.075 11.687 1.00 0.37 N ATOM 819 CA VAL A 827 1.874 -7.991 11.242 1.00 0.33 C ATOM 820 C VAL A 827 2.200 -9.095 10.242 1.00 0.30 C ATOM 821 O VAL A 827 2.329 -10.263 10.609 1.00 0.35 O ATOM 822 CB VAL A 827 2.854 -8.085 12.426 1.00 0.41 C ATOM 823 CG1 VAL A 827 4.133 -7.321 12.120 1.00 0.52 C ATOM 824 CG2 VAL A 827 2.209 -7.569 13.704 1.00 0.56 C ATOM 0 H VAL A 827 0.317 -8.772 12.413 1.00 0.37 H new ATOM 0 HA VAL A 827 1.990 -7.020 10.760 1.00 0.33 H new ATOM 0 HB VAL A 827 3.109 -9.134 12.577 1.00 0.41 H new ATOM 0 HG11 VAL A 827 4.814 -7.398 12.967 1.00 0.52 H new ATOM 0 HG12 VAL A 827 4.606 -7.744 11.234 1.00 0.52 H new ATOM 0 HG13 VAL A 827 3.896 -6.273 11.939 1.00 0.52 H new ATOM 0 HG21 VAL A 827 2.920 -7.645 14.527 1.00 0.56 H new ATOM 0 HG22 VAL A 827 1.919 -6.527 13.570 1.00 0.56 H new ATOM 0 HG23 VAL A 827 1.325 -8.165 13.932 1.00 0.56 H new ATOM 834 N LEU A 828 2.335 -8.714 8.976 1.00 0.26 N ATOM 835 CA LEU A 828 2.649 -9.668 7.916 1.00 0.28 C ATOM 836 C LEU A 828 4.155 -9.896 7.823 1.00 0.46 C ATOM 837 O LEU A 828 4.903 -9.009 7.412 1.00 0.60 O ATOM 838 CB LEU A 828 2.111 -9.166 6.574 1.00 0.31 C ATOM 839 CG LEU A 828 2.284 -10.131 5.400 1.00 0.45 C ATOM 840 CD1 LEU A 828 0.929 -10.532 4.836 1.00 0.66 C ATOM 841 CD2 LEU A 828 3.148 -9.501 4.318 1.00 0.81 C ATOM 0 H LEU A 828 2.232 -7.750 8.658 1.00 0.26 H new ATOM 0 HA LEU A 828 2.170 -10.617 8.158 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.050 -8.943 6.687 1.00 0.31 H new ATOM 0 HB3 LEU A 828 2.610 -8.228 6.329 1.00 0.31 H new ATOM 0 HG LEU A 828 2.785 -11.029 5.761 1.00 0.45 H new ATOM 0 HD11 LEU A 828 1.071 -11.219 4.002 1.00 0.66 H new ATOM 0 HD12 LEU A 828 0.342 -11.022 5.613 1.00 0.66 H new ATOM 0 HD13 LEU A 828 0.402 -9.643 4.489 1.00 0.66 H new ATOM 0 HD21 LEU A 828 3.261 -10.200 3.490 1.00 0.81 H new ATOM 0 HD22 LEU A 828 2.673 -8.588 3.959 1.00 0.81 H new ATOM 0 HD23 LEU A 828 4.129 -9.263 4.729 1.00 0.81 H new ATOM 853 N GLY A 829 4.593 -11.091 8.211 1.00 0.58 N ATOM 854 CA GLY A 829 6.006 -11.415 8.169 1.00 0.81 C ATOM 855 C GLY A 829 6.571 -11.378 6.762 1.00 0.49 C ATOM 856 O GLY A 829 7.427 -10.546 6.452 1.00 0.45 O ATOM 0 H GLY A 829 3.992 -11.841 8.554 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.555 -10.712 8.796 1.00 0.81 H new ATOM 0 HA3 GLY A 829 6.160 -12.407 8.593 1.00 0.81 H new ATOM 860 N SER A 830 6.097 -12.282 5.910 1.00 0.35 N ATOM 861 CA SER A 830 6.560 -12.353 4.528 1.00 0.23 C ATOM 862 C SER A 830 5.685 -13.310 3.719 1.00 0.19 C ATOM 863 O SER A 830 4.459 -13.232 3.778 1.00 0.20 O ATOM 864 CB SER A 830 8.025 -12.798 4.486 1.00 0.45 C ATOM 865 OG SER A 830 8.184 -14.088 5.054 1.00 1.31 O ATOM 0 H SER A 830 5.391 -12.977 6.153 1.00 0.35 H new ATOM 0 HA SER A 830 6.484 -11.361 4.082 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.376 -12.806 3.454 1.00 0.45 H new ATOM 0 HB3 SER A 830 8.642 -12.081 5.027 1.00 0.45 H new ATOM 0 HG SER A 830 9.128 -14.349 5.013 1.00 1.31 H new ATOM 871 N ASP A 831 6.316 -14.212 2.969 1.00 0.18 N ATOM 872 CA ASP A 831 5.581 -15.178 2.159 1.00 0.18 C ATOM 873 C ASP A 831 4.739 -16.098 3.039 1.00 0.17 C ATOM 874 O ASP A 831 3.889 -16.837 2.545 1.00 0.22 O ATOM 875 CB ASP A 831 6.549 -16.005 1.314 1.00 0.23 C ATOM 876 CG ASP A 831 7.731 -16.513 2.117 1.00 1.33 C ATOM 877 OD1 ASP A 831 8.707 -15.752 2.283 1.00 2.20 O ATOM 878 OD2 ASP A 831 7.678 -17.671 2.582 1.00 1.77 O ATOM 0 H ASP A 831 7.331 -14.293 2.906 1.00 0.18 H new ATOM 0 HA ASP A 831 4.912 -14.627 1.498 1.00 0.18 H new ATOM 0 HB2 ASP A 831 6.017 -16.852 0.881 1.00 0.23 H new ATOM 0 HB3 ASP A 831 6.911 -15.399 0.484 1.00 0.23 H new ATOM 883 N GLU A 832 4.982 -16.046 4.346 1.00 0.18 N ATOM 884 CA GLU A 832 4.245 -16.872 5.295 1.00 0.21 C ATOM 885 C GLU A 832 2.872 -16.277 5.584 1.00 0.19 C ATOM 886 O GLU A 832 1.848 -16.834 5.189 1.00 0.19 O ATOM 887 CB GLU A 832 5.034 -17.024 6.598 1.00 0.26 C ATOM 888 CG GLU A 832 6.239 -17.942 6.475 1.00 0.92 C ATOM 889 CD GLU A 832 7.056 -18.003 7.752 1.00 1.41 C ATOM 890 OE1 GLU A 832 7.881 -17.090 7.972 1.00 2.21 O ATOM 891 OE2 GLU A 832 6.871 -18.960 8.530 1.00 1.63 O ATOM 0 H GLU A 832 5.684 -15.440 4.771 1.00 0.18 H new ATOM 0 HA GLU A 832 4.107 -17.856 4.847 1.00 0.21 H new ATOM 0 HB2 GLU A 832 5.369 -16.040 6.927 1.00 0.26 H new ATOM 0 HB3 GLU A 832 4.371 -17.410 7.372 1.00 0.26 H new ATOM 0 HG2 GLU A 832 5.902 -18.945 6.215 1.00 0.92 H new ATOM 0 HG3 GLU A 832 6.873 -17.597 5.658 1.00 0.92 H new ATOM 898 N ASP A 833 2.856 -15.138 6.272 1.00 0.19 N ATOM 899 CA ASP A 833 1.605 -14.467 6.606 1.00 0.19 C ATOM 900 C ASP A 833 0.876 -14.035 5.342 1.00 0.18 C ATOM 901 O ASP A 833 -0.295 -13.665 5.389 1.00 0.18 O ATOM 902 CB ASP A 833 1.869 -13.257 7.502 1.00 0.22 C ATOM 903 CG ASP A 833 1.400 -13.480 8.926 1.00 0.41 C ATOM 904 OD1 ASP A 833 1.714 -14.547 9.495 1.00 0.73 O ATOM 905 OD2 ASP A 833 0.719 -12.587 9.474 1.00 0.73 O ATOM 0 H ASP A 833 3.693 -14.662 6.608 1.00 0.19 H new ATOM 0 HA ASP A 833 0.974 -15.171 7.148 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.936 -13.036 7.504 1.00 0.22 H new ATOM 0 HB3 ASP A 833 1.363 -12.384 7.088 1.00 0.22 H new ATOM 910 N TRP A 834 1.570 -14.099 4.211 1.00 0.17 N ATOM 911 CA TRP A 834 0.975 -13.727 2.935 1.00 0.17 C ATOM 912 C TRP A 834 0.146 -14.882 2.390 1.00 0.17 C ATOM 913 O TRP A 834 -0.984 -14.693 1.942 1.00 0.19 O ATOM 914 CB TRP A 834 2.059 -13.323 1.932 1.00 0.19 C ATOM 915 CG TRP A 834 1.535 -12.789 0.624 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.163 -12.860 -0.585 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.295 -12.100 0.390 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.400 -12.258 -1.555 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.246 -11.790 -0.985 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.780 -11.716 1.201 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.829 -11.118 -1.561 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.846 -11.050 0.627 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.865 -10.757 -0.742 1.00 0.26 C ATOM 0 H TRP A 834 2.542 -14.404 4.153 1.00 0.17 H new ATOM 0 HA TRP A 834 0.321 -12.869 3.091 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.695 -12.566 2.390 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.689 -14.189 1.730 1.00 0.19 H new ATOM 0 HD1 TRP A 834 3.123 -13.324 -0.755 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.652 -12.173 -2.540 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.776 -11.937 2.258 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.845 -10.890 -2.616 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.679 -10.750 1.245 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.714 -10.236 -1.160 1.00 0.26 H new ATOM 934 N ASN A 835 0.711 -16.084 2.452 1.00 0.18 N ATOM 935 CA ASN A 835 0.020 -17.277 1.986 1.00 0.20 C ATOM 936 C ASN A 835 -1.168 -17.578 2.893 1.00 0.20 C ATOM 937 O ASN A 835 -2.224 -18.020 2.436 1.00 0.23 O ATOM 938 CB ASN A 835 0.982 -18.469 1.946 1.00 0.23 C ATOM 939 CG ASN A 835 0.710 -19.490 3.035 1.00 1.38 C ATOM 940 OD1 ASN A 835 -0.196 -20.316 2.916 1.00 1.90 O ATOM 941 ND2 ASN A 835 1.497 -19.444 4.101 1.00 1.98 N ATOM 0 H ASN A 835 1.646 -16.256 2.821 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.348 -17.100 0.975 1.00 0.20 H new ATOM 0 HB2 ASN A 835 0.908 -18.956 0.973 1.00 0.23 H new ATOM 0 HB3 ASN A 835 2.005 -18.106 2.044 1.00 0.23 H new ATOM 0 HD21 ASN A 835 1.363 -20.109 4.863 1.00 1.98 H new ATOM 0 HD22 ASN A 835 2.236 -18.743 4.159 1.00 1.98 H new ATOM 948 N VAL A 836 -0.984 -17.317 4.182 1.00 0.20 N ATOM 949 CA VAL A 836 -2.034 -17.535 5.170 1.00 0.22 C ATOM 950 C VAL A 836 -3.146 -16.515 4.983 1.00 0.22 C ATOM 951 O VAL A 836 -4.313 -16.876 4.831 1.00 0.27 O ATOM 952 CB VAL A 836 -1.489 -17.436 6.608 1.00 0.24 C ATOM 953 CG1 VAL A 836 -2.605 -17.639 7.622 1.00 0.67 C ATOM 954 CG2 VAL A 836 -0.372 -18.446 6.825 1.00 0.62 C ATOM 0 H VAL A 836 -0.113 -16.952 4.569 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.424 -18.542 5.019 1.00 0.22 H new ATOM 0 HB VAL A 836 -1.079 -16.436 6.752 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -2.198 -17.565 8.631 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -3.368 -16.873 7.482 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.050 -18.624 7.481 1.00 0.67 H new ATOM 0 HG21 VAL A 836 0.001 -18.362 7.846 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -0.755 -19.453 6.660 1.00 0.62 H new ATOM 0 HG23 VAL A 836 0.439 -18.247 6.125 1.00 0.62 H new ATOM 964 N ALA A 837 -2.773 -15.235 4.980 1.00 0.20 N ATOM 965 CA ALA A 837 -3.745 -14.166 4.791 1.00 0.20 C ATOM 966 C ALA A 837 -4.486 -14.363 3.475 1.00 0.20 C ATOM 967 O ALA A 837 -5.619 -13.909 3.313 1.00 0.21 O ATOM 968 CB ALA A 837 -3.064 -12.806 4.820 1.00 0.22 C ATOM 0 H ALA A 837 -1.812 -14.918 5.106 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.464 -14.202 5.610 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -3.809 -12.023 4.677 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.571 -12.666 5.782 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.324 -12.753 4.022 1.00 0.22 H new ATOM 974 N LYS A 838 -3.838 -15.059 2.544 1.00 0.21 N ATOM 975 CA LYS A 838 -4.434 -15.339 1.245 1.00 0.24 C ATOM 976 C LYS A 838 -5.646 -16.245 1.410 1.00 0.24 C ATOM 977 O LYS A 838 -6.723 -15.963 0.884 1.00 0.26 O ATOM 978 CB LYS A 838 -3.410 -16.001 0.321 1.00 0.28 C ATOM 979 CG LYS A 838 -2.738 -15.033 -0.641 1.00 0.38 C ATOM 980 CD LYS A 838 -1.308 -15.450 -0.954 1.00 0.49 C ATOM 981 CE LYS A 838 -1.243 -16.852 -1.544 1.00 0.68 C ATOM 982 NZ LYS A 838 -0.782 -16.840 -2.960 1.00 0.85 N ATOM 0 H LYS A 838 -2.899 -15.439 2.667 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.752 -14.397 0.798 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.645 -16.485 0.928 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -3.905 -16.785 -0.253 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -3.313 -14.982 -1.566 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -2.739 -14.032 -0.209 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -0.868 -14.740 -1.654 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -0.711 -15.411 -0.043 1.00 0.49 H new ATOM 0 HE2 LYS A 838 -0.567 -17.465 -0.948 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -2.228 -17.315 -1.487 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 -0.752 -17.814 -3.324 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -1.440 -16.276 -3.535 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 0.169 -16.422 -3.012 1.00 0.85 H new ATOM 996 N GLU A 839 -5.462 -17.330 2.157 1.00 0.26 N ATOM 997 CA GLU A 839 -6.538 -18.277 2.408 1.00 0.29 C ATOM 998 C GLU A 839 -7.698 -17.589 3.121 1.00 0.27 C ATOM 999 O GLU A 839 -8.852 -18.003 2.999 1.00 0.31 O ATOM 1000 CB GLU A 839 -6.029 -19.451 3.248 1.00 0.34 C ATOM 1001 CG GLU A 839 -5.571 -20.640 2.417 1.00 0.71 C ATOM 1002 CD GLU A 839 -6.084 -21.960 2.959 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -5.819 -22.258 4.143 1.00 1.95 O ATOM 1004 OE2 GLU A 839 -6.749 -22.694 2.200 1.00 1.82 O ATOM 0 H GLU A 839 -4.575 -17.573 2.599 1.00 0.26 H new ATOM 0 HA GLU A 839 -6.892 -18.657 1.450 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -5.200 -19.111 3.868 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -6.821 -19.774 3.924 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -5.914 -20.515 1.390 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -4.482 -20.661 2.389 1.00 0.71 H new ATOM 1011 N MET A 840 -7.380 -16.532 3.864 1.00 0.25 N ATOM 1012 CA MET A 840 -8.389 -15.773 4.597 1.00 0.24 C ATOM 1013 C MET A 840 -9.209 -14.911 3.641 1.00 0.24 C ATOM 1014 O MET A 840 -10.421 -14.762 3.806 1.00 0.27 O ATOM 1015 CB MET A 840 -7.717 -14.900 5.665 1.00 0.24 C ATOM 1016 CG MET A 840 -8.512 -13.661 6.047 1.00 0.26 C ATOM 1017 SD MET A 840 -7.510 -12.433 6.906 1.00 0.30 S ATOM 1018 CE MET A 840 -6.744 -11.593 5.523 1.00 0.27 C ATOM 0 H MET A 840 -6.429 -16.181 3.974 1.00 0.25 H new ATOM 0 HA MET A 840 -9.064 -16.473 5.090 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.551 -15.502 6.559 1.00 0.24 H new ATOM 0 HB3 MET A 840 -6.737 -14.592 5.302 1.00 0.24 H new ATOM 0 HG2 MET A 840 -8.936 -13.214 5.148 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.348 -13.952 6.683 1.00 0.26 H new ATOM 0 HE1 MET A 840 -5.666 -11.547 5.677 1.00 0.27 H new ATOM 0 HE2 MET A 840 -6.956 -12.138 4.603 1.00 0.27 H new ATOM 0 HE3 MET A 840 -7.143 -10.581 5.446 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.539 -14.349 2.640 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.202 -13.503 1.653 1.00 0.24 C ATOM 1030 C LEU A 841 -10.236 -14.301 0.864 1.00 0.24 C ATOM 1031 O LEU A 841 -11.339 -13.820 0.603 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.171 -12.898 0.698 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.394 -11.705 1.254 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.050 -11.572 0.556 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.204 -10.424 1.106 1.00 0.38 C ATOM 0 H LEU A 841 -7.537 -14.464 2.491 1.00 0.22 H new ATOM 0 HA LEU A 841 -9.714 -12.699 2.181 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.460 -13.675 0.416 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -8.682 -12.586 -0.213 1.00 0.26 H new ATOM 0 HG LEU A 841 -7.214 -11.876 2.315 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -5.511 -10.717 0.965 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.466 -12.479 0.714 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.208 -11.424 -0.512 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -7.635 -9.585 1.507 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -8.416 -10.247 0.052 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.142 -10.521 1.653 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.869 -15.521 0.487 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.761 -16.388 -0.273 1.00 0.35 C ATOM 1049 C ALA A 842 -11.950 -16.833 0.568 1.00 0.36 C ATOM 1050 O ALA A 842 -13.005 -17.181 0.035 1.00 0.49 O ATOM 1051 CB ALA A 842 -10.005 -17.599 -0.786 1.00 0.49 C ATOM 0 H ALA A 842 -8.959 -15.932 0.696 1.00 0.30 H new ATOM 0 HA ALA A 842 -11.141 -15.817 -1.120 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -10.683 -18.238 -1.352 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -9.190 -17.272 -1.432 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -9.598 -18.158 0.057 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.774 -16.818 1.886 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.834 -17.218 2.806 1.00 0.42 C ATOM 1059 C GLU A 843 -13.989 -16.220 2.763 1.00 0.53 C ATOM 1060 O GLU A 843 -14.950 -16.336 3.524 1.00 0.69 O ATOM 1061 CB GLU A 843 -12.288 -17.321 4.230 1.00 0.45 C ATOM 1062 CG GLU A 843 -12.972 -18.387 5.071 1.00 0.57 C ATOM 1063 CD GLU A 843 -11.990 -19.376 5.666 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -10.913 -18.942 6.124 1.00 1.36 O ATOM 1065 OE2 GLU A 843 -12.299 -20.587 5.676 1.00 1.68 O ATOM 0 H GLU A 843 -10.907 -16.533 2.341 1.00 0.34 H new ATOM 0 HA GLU A 843 -13.205 -18.195 2.496 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -11.220 -17.535 4.186 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -12.399 -16.355 4.723 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -13.532 -17.908 5.874 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -13.694 -18.923 4.455 1.00 0.57 H new ATOM 1072 N ASN A 844 -13.885 -15.242 1.868 1.00 0.54 N ATOM 1073 CA ASN A 844 -14.919 -14.223 1.727 1.00 0.77 C ATOM 1074 C ASN A 844 -14.956 -13.680 0.302 1.00 0.81 C ATOM 1075 O ASN A 844 -15.560 -12.637 0.042 1.00 1.48 O ATOM 1076 CB ASN A 844 -14.674 -13.082 2.716 1.00 0.89 C ATOM 1077 CG ASN A 844 -15.193 -13.400 4.106 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -16.374 -13.212 4.397 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -14.310 -13.886 4.971 1.00 1.05 N ATOM 0 H ASN A 844 -13.096 -15.134 1.230 1.00 0.54 H new ATOM 0 HA ASN A 844 -15.883 -14.683 1.945 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -13.605 -12.874 2.769 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -15.157 -12.177 2.349 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -14.601 -14.120 5.920 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -13.341 -14.026 4.686 1.00 1.05 H new ATOM 1086 N ASN A 845 -14.309 -14.395 -0.615 1.00 0.49 N ATOM 1087 CA ASN A 845 -14.261 -13.996 -2.019 1.00 0.56 C ATOM 1088 C ASN A 845 -13.562 -12.650 -2.189 1.00 0.48 C ATOM 1089 O ASN A 845 -13.657 -12.020 -3.243 1.00 0.57 O ATOM 1090 CB ASN A 845 -15.674 -13.932 -2.604 1.00 0.73 C ATOM 1091 CG ASN A 845 -16.189 -15.295 -3.017 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -16.235 -16.225 -2.211 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -16.579 -15.423 -4.279 1.00 1.97 N ATOM 0 H ASN A 845 -13.808 -15.259 -0.409 1.00 0.49 H new ATOM 0 HA ASN A 845 -13.686 -14.748 -2.559 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -16.350 -13.499 -1.867 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -15.677 -13.268 -3.468 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -16.934 -16.318 -4.615 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -16.524 -14.626 -4.913 1.00 1.97 H new ATOM 1100 N GLU A 846 -12.858 -12.215 -1.148 1.00 0.35 N ATOM 1101 CA GLU A 846 -12.138 -10.947 -1.184 1.00 0.31 C ATOM 1102 C GLU A 846 -10.968 -11.014 -2.161 1.00 0.30 C ATOM 1103 O GLU A 846 -10.618 -12.089 -2.652 1.00 0.49 O ATOM 1104 CB GLU A 846 -11.631 -10.589 0.216 1.00 0.33 C ATOM 1105 CG GLU A 846 -12.407 -9.464 0.885 1.00 0.44 C ATOM 1106 CD GLU A 846 -13.898 -9.533 0.613 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -14.589 -10.326 1.287 1.00 1.69 O ATOM 1108 OE2 GLU A 846 -14.375 -8.794 -0.274 1.00 2.30 O ATOM 0 H GLU A 846 -12.771 -12.723 -0.268 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.826 -10.173 -1.524 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -11.680 -11.476 0.847 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -10.581 -10.303 0.149 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -12.237 -9.502 1.961 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -12.023 -8.506 0.535 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.367 -9.861 -2.442 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.235 -9.792 -3.362 1.00 0.31 C ATOM 1117 C LYS A 847 -8.318 -8.624 -3.015 1.00 0.36 C ATOM 1118 O LYS A 847 -7.109 -8.685 -3.237 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.724 -9.656 -4.805 1.00 0.38 C ATOM 1120 CG LYS A 847 -10.911 -8.719 -4.960 1.00 0.69 C ATOM 1121 CD LYS A 847 -11.563 -8.866 -6.324 1.00 0.97 C ATOM 1122 CE LYS A 847 -13.076 -8.960 -6.211 1.00 1.32 C ATOM 1123 NZ LYS A 847 -13.759 -7.860 -6.947 1.00 1.98 N ATOM 0 H LYS A 847 -10.644 -8.963 -2.047 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.669 -10.718 -3.264 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -8.904 -9.295 -5.425 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -9.998 -10.642 -5.181 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -11.644 -8.927 -4.181 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -10.583 -7.689 -4.822 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -11.296 -8.014 -6.950 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -11.178 -9.758 -6.818 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -13.410 -9.921 -6.603 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -13.364 -8.927 -5.160 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -14.789 -7.961 -6.845 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -13.460 -6.943 -6.557 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -13.505 -7.906 -7.954 1.00 1.98 H new ATOM 1137 N PHE A 848 -8.899 -7.562 -2.468 1.00 0.32 N ATOM 1138 CA PHE A 848 -8.130 -6.381 -2.091 1.00 0.37 C ATOM 1139 C PHE A 848 -7.421 -6.603 -0.760 1.00 0.30 C ATOM 1140 O PHE A 848 -7.905 -7.345 0.095 1.00 0.39 O ATOM 1141 CB PHE A 848 -9.044 -5.156 -1.999 1.00 0.50 C ATOM 1142 CG PHE A 848 -9.695 -4.781 -3.303 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -8.958 -4.729 -4.478 1.00 0.92 C ATOM 1144 CD2 PHE A 848 -11.045 -4.477 -3.351 1.00 0.82 C ATOM 1145 CE1 PHE A 848 -9.557 -4.382 -5.673 1.00 1.09 C ATOM 1146 CE2 PHE A 848 -11.650 -4.129 -4.544 1.00 1.02 C ATOM 1147 CZ PHE A 848 -10.905 -4.081 -5.707 1.00 0.98 C ATOM 0 H PHE A 848 -9.898 -7.494 -2.276 1.00 0.32 H new ATOM 0 HA PHE A 848 -7.379 -6.204 -2.861 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -9.821 -5.349 -1.259 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -8.463 -4.308 -1.637 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -7.904 -4.963 -4.458 1.00 0.92 H new ATOM 0 HD2 PHE A 848 -11.632 -4.512 -2.445 1.00 0.82 H new ATOM 0 HE1 PHE A 848 -8.972 -4.346 -6.580 1.00 1.09 H new ATOM 0 HE2 PHE A 848 -12.704 -3.895 -4.567 1.00 1.02 H new ATOM 0 HZ PHE A 848 -11.375 -3.809 -6.640 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.268 -5.963 -0.595 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.488 -6.099 0.630 1.00 0.23 C ATOM 1159 C LEU A 849 -4.964 -4.745 1.103 1.00 0.24 C ATOM 1160 O LEU A 849 -4.143 -4.119 0.431 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.320 -7.065 0.400 1.00 0.26 C ATOM 1162 CG LEU A 849 -4.003 -8.018 1.561 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -3.146 -7.319 2.604 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -5.281 -8.555 2.191 1.00 0.74 C ATOM 0 H LEU A 849 -5.853 -5.346 -1.293 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.140 -6.499 1.407 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.536 -7.662 -0.486 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.427 -6.480 0.181 1.00 0.26 H new ATOM 0 HG LEU A 849 -3.443 -8.864 1.162 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -2.931 -8.009 3.420 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -2.211 -6.993 2.148 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -3.681 -6.453 2.993 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -5.028 -9.227 3.011 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -5.875 -7.725 2.573 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.856 -9.098 1.441 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.441 -4.301 2.263 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.018 -3.023 2.826 1.00 0.29 C ATOM 1178 C ASN A 850 -3.589 -3.111 3.350 1.00 0.30 C ATOM 1179 O ASN A 850 -2.993 -4.187 3.371 1.00 0.43 O ATOM 1180 CB ASN A 850 -5.962 -2.593 3.951 1.00 0.37 C ATOM 1181 CG ASN A 850 -7.104 -1.731 3.449 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -6.951 -0.975 2.490 1.00 1.52 O ATOM 1183 ND2 ASN A 850 -8.258 -1.840 4.096 1.00 0.92 N ATOM 0 H ASN A 850 -6.120 -4.807 2.831 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.053 -2.276 2.033 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -6.367 -3.479 4.440 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -5.398 -2.042 4.704 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -9.062 -1.284 3.803 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -8.341 -2.479 4.886 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.039 -1.971 3.766 1.00 0.31 N ATOM 1191 CA ILE A 851 -1.674 -1.928 4.277 1.00 0.36 C ATOM 1192 C ILE A 851 -1.586 -1.121 5.571 1.00 0.53 C ATOM 1193 O ILE A 851 -2.585 -0.573 6.037 1.00 0.71 O ATOM 1194 CB ILE A 851 -0.706 -1.334 3.244 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.270 -1.549 1.839 1.00 0.54 C ATOM 1196 CG2 ILE A 851 0.685 -1.943 3.395 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -0.598 -2.647 1.036 1.00 1.04 C ATOM 0 H ILE A 851 -3.517 -1.070 3.759 1.00 0.31 H new ATOM 0 HA ILE A 851 -1.385 -2.959 4.482 1.00 0.36 H new ATOM 0 HB ILE A 851 -0.604 -0.262 3.414 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -2.332 -1.779 1.922 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -1.189 -0.614 1.285 1.00 0.54 H new ATOM 0 HG21 ILE A 851 1.355 -1.508 2.653 1.00 0.53 H new ATOM 0 HG22 ILE A 851 1.066 -1.735 4.395 1.00 0.53 H new ATOM 0 HG23 ILE A 851 0.628 -3.021 3.245 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -1.069 -2.721 0.056 1.00 1.04 H new ATOM 0 HD12 ILE A 851 0.460 -2.413 0.914 1.00 1.04 H new ATOM 0 HD13 ILE A 851 -0.701 -3.597 1.561 1.00 1.04 H new