USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=14 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 782 THR OG1 : rot -81:sc= 1.21 USER MOD Set 1.2: A 819 GLN : amide:sc= 0.0585 K(o=-1.6,f=-4.6!) USER MOD Set 1.3: A 850 ASN : amide:sc= -2.88! C(o=-1.6!,f=-6.4!) USER MOD Single : A 787 LYS NZ :NH3+ 165:sc= -0.612 (180deg=-0.777) USER MOD Single : A 790 ASN : amide:sc= -5.5! K(o=-5.5!,f=-0.68) USER MOD Single : A 796 MET CE :methyl 132:sc= -0.338 (180deg=-1.24) USER MOD Single : A 799 ASN : amide:sc= -1.72 K(o=-1.7,f=-4.3!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0561) USER MOD Single : A 803 SER OG : rot 180:sc= 0 USER MOD Single : A 814 THR OG1 : rot 180:sc= 0 USER MOD Single : A 815 LYS NZ :NH3+ 154:sc= -0.061 (180deg=-0.332) USER MOD Single : A 817 LYS NZ :NH3+ -137:sc= -0.392 (180deg=-2.59!) USER MOD Single : A 818 TYR OH : rot 135:sc= 1.03 USER MOD Single : A 830 SER OG : rot -38:sc= 0.421 USER MOD Single : A 835 ASN : amide:sc= 0.292 X(o=0.29,f=-0.11) USER MOD Single : A 838 LYS NZ :NH3+ -179:sc= -0.193 (180deg=-0.219) USER MOD Single : A 840 MET CE :methyl 153:sc= 0 (180deg=-0.541) USER MOD Single : A 844 ASN : amide:sc= -0.861 K(o=-0.86,f=-3.1!) USER MOD Single : A 845 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 847 LYS NZ :NH3+ 178:sc= 0.0382 (180deg=0.0376) USER MOD ----------------------------------------------------------------- ATOM 55 N ILE A 780 -6.037 4.335 3.409 1.00 0.79 N ATOM 56 CA ILE A 780 -5.304 3.077 3.304 1.00 0.51 C ATOM 57 C ILE A 780 -4.802 2.851 1.881 1.00 0.46 C ATOM 58 O ILE A 780 -4.841 3.758 1.049 1.00 0.53 O ATOM 59 CB ILE A 780 -6.174 1.876 3.728 1.00 0.43 C ATOM 60 CG1 ILE A 780 -7.396 2.349 4.520 1.00 0.64 C ATOM 61 CG2 ILE A 780 -5.354 0.896 4.553 1.00 0.58 C ATOM 62 CD1 ILE A 780 -8.529 1.345 4.542 1.00 1.22 C ATOM 0 HA ILE A 780 -4.453 3.152 3.981 1.00 0.51 H new ATOM 0 HB ILE A 780 -6.523 1.368 2.829 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -7.093 2.565 5.545 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -7.758 3.283 4.091 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -5.980 0.053 4.845 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -4.514 0.535 3.960 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -4.979 1.397 5.446 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -9.360 1.747 5.121 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -8.859 1.146 3.522 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -8.184 0.417 4.999 1.00 1.22 H new ATOM 74 N PHE A 781 -4.336 1.636 1.606 1.00 0.39 N ATOM 75 CA PHE A 781 -3.834 1.286 0.286 1.00 0.36 C ATOM 76 C PHE A 781 -4.287 -0.120 -0.082 1.00 0.30 C ATOM 77 O PHE A 781 -3.554 -1.091 0.101 1.00 0.35 O ATOM 78 CB PHE A 781 -2.306 1.377 0.256 1.00 0.41 C ATOM 79 CG PHE A 781 -1.764 2.323 -0.781 1.00 0.45 C ATOM 80 CD1 PHE A 781 -2.364 3.554 -0.992 1.00 0.73 C ATOM 81 CD2 PHE A 781 -0.660 1.980 -1.548 1.00 0.81 C ATOM 82 CE1 PHE A 781 -1.873 4.425 -1.946 1.00 0.80 C ATOM 83 CE2 PHE A 781 -0.165 2.847 -2.503 1.00 0.94 C ATOM 84 CZ PHE A 781 -0.751 4.068 -2.694 1.00 0.73 C ATOM 0 H PHE A 781 -4.297 0.876 2.285 1.00 0.39 H new ATOM 0 HA PHE A 781 -4.235 1.990 -0.443 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -1.953 1.691 1.238 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -1.898 0.383 0.073 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -3.225 3.836 -0.404 1.00 0.73 H new ATOM 0 HD2 PHE A 781 -0.182 1.024 -1.397 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -2.355 5.377 -2.112 1.00 0.80 H new ATOM 0 HE2 PHE A 781 0.687 2.560 -3.101 1.00 0.94 H new ATOM 0 HZ PHE A 781 -0.346 4.754 -3.423 1.00 0.73 H new ATOM 94 N THR A 782 -5.511 -0.221 -0.584 1.00 0.28 N ATOM 95 CA THR A 782 -6.081 -1.508 -0.959 1.00 0.29 C ATOM 96 C THR A 782 -5.943 -1.764 -2.453 1.00 0.35 C ATOM 97 O THR A 782 -6.428 -0.990 -3.276 1.00 0.52 O ATOM 98 CB THR A 782 -7.571 -1.592 -0.577 1.00 0.41 C ATOM 99 OG1 THR A 782 -7.965 -0.407 0.126 1.00 0.67 O ATOM 100 CG2 THR A 782 -7.840 -2.814 0.287 1.00 0.44 C ATOM 0 H THR A 782 -6.129 0.575 -0.741 1.00 0.28 H new ATOM 0 HA THR A 782 -5.523 -2.268 -0.412 1.00 0.29 H new ATOM 0 HB THR A 782 -8.154 -1.680 -1.494 1.00 0.41 H new ATOM 0 HG1 THR A 782 -7.694 -0.479 1.065 1.00 0.67 H new ATOM 0 HG21 THR A 782 -8.899 -2.852 0.544 1.00 0.44 H new ATOM 0 HG22 THR A 782 -7.567 -3.715 -0.262 1.00 0.44 H new ATOM 0 HG23 THR A 782 -7.247 -2.752 1.199 1.00 0.44 H new ATOM 108 N LEU A 783 -5.275 -2.862 -2.789 1.00 0.40 N ATOM 109 CA LEU A 783 -5.061 -3.238 -4.179 1.00 0.56 C ATOM 110 C LEU A 783 -5.831 -4.509 -4.516 1.00 0.58 C ATOM 111 O LEU A 783 -6.732 -4.915 -3.780 1.00 0.99 O ATOM 112 CB LEU A 783 -3.570 -3.449 -4.449 1.00 0.67 C ATOM 113 CG LEU A 783 -2.627 -2.805 -3.432 1.00 0.94 C ATOM 114 CD1 LEU A 783 -1.471 -3.740 -3.113 1.00 1.57 C ATOM 115 CD2 LEU A 783 -2.110 -1.472 -3.952 1.00 1.53 C ATOM 0 H LEU A 783 -4.871 -3.510 -2.112 1.00 0.40 H new ATOM 0 HA LEU A 783 -5.426 -2.429 -4.811 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -3.370 -4.520 -4.478 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -3.337 -3.054 -5.438 1.00 0.67 H new ATOM 0 HG LEU A 783 -3.184 -2.621 -2.513 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -0.809 -3.266 -2.388 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -1.859 -4.670 -2.697 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -0.915 -3.955 -4.025 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -1.441 -1.029 -3.215 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -1.569 -1.631 -4.885 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -2.950 -0.800 -4.130 1.00 1.53 H new ATOM 127 N LEU A 784 -5.465 -5.138 -5.626 1.00 0.27 N ATOM 128 CA LEU A 784 -6.114 -6.369 -6.054 1.00 0.26 C ATOM 129 C LEU A 784 -5.080 -7.471 -6.255 1.00 0.23 C ATOM 130 O LEU A 784 -4.372 -7.500 -7.262 1.00 0.29 O ATOM 131 CB LEU A 784 -6.905 -6.127 -7.335 1.00 0.31 C ATOM 132 CG LEU A 784 -7.197 -7.369 -8.185 1.00 0.51 C ATOM 133 CD1 LEU A 784 -8.640 -7.815 -8.002 1.00 0.81 C ATOM 134 CD2 LEU A 784 -6.907 -7.090 -9.651 1.00 0.75 C ATOM 0 H LEU A 784 -4.722 -4.815 -6.246 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.807 -6.691 -5.277 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -7.854 -5.660 -7.071 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -6.357 -5.411 -7.948 1.00 0.31 H new ATOM 0 HG LEU A 784 -6.544 -8.175 -7.852 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -8.828 -8.698 -8.613 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -8.816 -8.055 -6.954 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -9.311 -7.012 -8.308 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -7.120 -7.982 -10.240 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -7.535 -6.269 -9.996 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -5.858 -6.819 -9.769 1.00 0.75 H new ATOM 146 N VAL A 785 -4.990 -8.369 -5.281 1.00 0.25 N ATOM 147 CA VAL A 785 -4.035 -9.467 -5.341 1.00 0.30 C ATOM 148 C VAL A 785 -4.665 -10.718 -5.943 1.00 0.34 C ATOM 149 O VAL A 785 -5.888 -10.815 -6.060 1.00 0.55 O ATOM 150 CB VAL A 785 -3.479 -9.803 -3.944 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.787 -8.587 -3.344 1.00 1.11 C ATOM 152 CG2 VAL A 785 -4.589 -10.301 -3.030 1.00 1.18 C ATOM 0 H VAL A 785 -5.567 -8.358 -4.440 1.00 0.25 H new ATOM 0 HA VAL A 785 -3.216 -9.138 -5.981 1.00 0.30 H new ATOM 0 HB VAL A 785 -2.743 -10.601 -4.046 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.399 -8.839 -2.357 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -1.964 -8.281 -3.990 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -3.502 -7.769 -3.255 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -4.176 -10.533 -2.048 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -5.351 -9.529 -2.929 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -5.036 -11.199 -3.457 1.00 1.18 H new ATOM 162 N GLU A 786 -3.823 -11.672 -6.327 1.00 0.38 N ATOM 163 CA GLU A 786 -4.295 -12.915 -6.922 1.00 0.42 C ATOM 164 C GLU A 786 -3.931 -14.114 -6.048 1.00 0.46 C ATOM 165 O GLU A 786 -3.247 -13.970 -5.036 1.00 0.48 O ATOM 166 CB GLU A 786 -3.698 -13.085 -8.321 1.00 0.43 C ATOM 167 CG GLU A 786 -4.638 -13.760 -9.306 1.00 0.56 C ATOM 168 CD GLU A 786 -5.349 -12.769 -10.208 1.00 0.75 C ATOM 169 OE1 GLU A 786 -4.678 -12.170 -11.076 1.00 1.02 O ATOM 170 OE2 GLU A 786 -6.575 -12.590 -10.045 1.00 1.40 O ATOM 0 H GLU A 786 -2.809 -11.607 -6.236 1.00 0.38 H new ATOM 0 HA GLU A 786 -5.381 -12.866 -6.998 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -3.420 -12.105 -8.710 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.781 -13.670 -8.247 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -4.073 -14.462 -9.919 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -5.378 -14.341 -8.756 1.00 0.56 H new ATOM 177 N LYS A 787 -4.394 -15.294 -6.451 1.00 0.51 N ATOM 178 CA LYS A 787 -4.117 -16.520 -5.708 1.00 0.57 C ATOM 179 C LYS A 787 -2.821 -17.163 -6.191 1.00 0.60 C ATOM 180 O LYS A 787 -2.795 -18.331 -6.579 1.00 1.07 O ATOM 181 CB LYS A 787 -5.275 -17.506 -5.853 1.00 0.64 C ATOM 182 CG LYS A 787 -5.729 -17.711 -7.290 1.00 1.29 C ATOM 183 CD LYS A 787 -7.178 -17.294 -7.478 1.00 1.49 C ATOM 184 CE LYS A 787 -7.287 -15.986 -8.244 1.00 2.24 C ATOM 185 NZ LYS A 787 -6.825 -16.126 -9.652 1.00 2.85 N ATOM 0 H LYS A 787 -4.962 -15.427 -7.287 1.00 0.51 H new ATOM 0 HA LYS A 787 -4.005 -16.260 -4.655 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -4.976 -18.467 -5.435 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -6.119 -17.150 -5.262 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -5.093 -17.133 -7.960 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -5.612 -18.759 -7.564 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -7.716 -18.076 -8.013 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -7.656 -17.187 -6.504 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -8.322 -15.645 -8.234 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -6.694 -15.221 -7.742 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -7.145 -15.305 -10.205 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -5.786 -16.175 -9.673 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -7.221 -16.996 -10.062 1.00 2.85 H new ATOM 199 N VAL A 788 -1.750 -16.383 -6.167 1.00 0.29 N ATOM 200 CA VAL A 788 -0.442 -16.856 -6.605 1.00 0.29 C ATOM 201 C VAL A 788 0.649 -15.865 -6.205 1.00 0.26 C ATOM 202 O VAL A 788 1.809 -16.236 -6.028 1.00 0.29 O ATOM 203 CB VAL A 788 -0.411 -17.063 -8.135 1.00 0.32 C ATOM 204 CG1 VAL A 788 -1.029 -15.869 -8.849 1.00 0.31 C ATOM 205 CG2 VAL A 788 1.007 -17.305 -8.629 1.00 0.33 C ATOM 0 H VAL A 788 -1.760 -15.414 -5.847 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.257 -17.813 -6.117 1.00 0.29 H new ATOM 0 HB VAL A 788 -1.002 -17.949 -8.365 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -0.998 -16.033 -9.926 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -2.064 -15.750 -8.530 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.468 -14.968 -8.603 1.00 0.31 H new ATOM 0 HG21 VAL A 788 0.997 -17.447 -9.710 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.630 -16.445 -8.382 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.412 -18.196 -8.150 1.00 0.33 H new ATOM 215 N TRP A 789 0.259 -14.603 -6.070 1.00 0.21 N ATOM 216 CA TRP A 789 1.188 -13.543 -5.696 1.00 0.18 C ATOM 217 C TRP A 789 1.972 -13.892 -4.441 1.00 0.18 C ATOM 218 O TRP A 789 1.395 -14.193 -3.397 1.00 0.19 O ATOM 219 CB TRP A 789 0.431 -12.237 -5.462 1.00 0.18 C ATOM 220 CG TRP A 789 0.082 -11.519 -6.725 1.00 0.20 C ATOM 221 CD1 TRP A 789 0.084 -12.035 -7.988 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.313 -10.152 -6.848 1.00 0.22 C ATOM 223 NE1 TRP A 789 -0.288 -11.071 -8.889 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.540 -9.903 -8.213 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.501 -9.113 -5.933 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -0.942 -8.656 -8.685 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.900 -7.877 -6.400 1.00 0.28 C ATOM 228 CH2 TRP A 789 -1.118 -7.657 -7.766 1.00 0.30 C ATOM 0 H TRP A 789 -0.700 -14.287 -6.215 1.00 0.21 H new ATOM 0 HA TRP A 789 1.892 -13.427 -6.520 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.484 -12.450 -4.909 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.037 -11.582 -4.836 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.341 -13.053 -8.241 1.00 0.22 H new ATOM 0 HE1 TRP A 789 -0.365 -11.201 -9.898 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.337 -9.274 -4.878 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -1.109 -8.483 -9.738 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -1.046 -7.067 -5.701 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -1.431 -6.679 -8.101 1.00 0.30 H new ATOM 239 N ASN A 790 3.291 -13.818 -4.544 1.00 0.18 N ATOM 240 CA ASN A 790 4.161 -14.090 -3.410 1.00 0.20 C ATOM 241 C ASN A 790 4.513 -12.775 -2.731 1.00 0.18 C ATOM 242 O ASN A 790 4.289 -11.707 -3.299 1.00 0.20 O ATOM 243 CB ASN A 790 5.431 -14.812 -3.864 1.00 0.24 C ATOM 244 CG ASN A 790 5.709 -14.628 -5.344 1.00 0.93 C ATOM 245 OD1 ASN A 790 5.398 -15.497 -6.158 1.00 1.89 O ATOM 246 ND2 ASN A 790 6.294 -13.492 -5.698 1.00 0.77 N ATOM 0 H ASN A 790 3.783 -13.571 -5.403 1.00 0.18 H new ATOM 0 HA ASN A 790 3.642 -14.739 -2.705 1.00 0.20 H new ATOM 0 HB2 ASN A 790 6.280 -14.442 -3.290 1.00 0.24 H new ATOM 0 HB3 ASN A 790 5.338 -15.876 -3.645 1.00 0.24 H new ATOM 0 HD21 ASN A 790 6.504 -13.311 -6.680 1.00 0.77 H new ATOM 0 HD22 ASN A 790 6.534 -12.799 -4.989 1.00 0.77 H new ATOM 253 N PHE A 791 5.056 -12.844 -1.520 1.00 0.20 N ATOM 254 CA PHE A 791 5.420 -11.635 -0.790 1.00 0.20 C ATOM 255 C PHE A 791 6.279 -10.729 -1.663 1.00 0.16 C ATOM 256 O PHE A 791 6.306 -9.512 -1.477 1.00 0.17 O ATOM 257 CB PHE A 791 6.163 -11.989 0.502 1.00 0.26 C ATOM 258 CG PHE A 791 6.624 -10.791 1.283 1.00 0.35 C ATOM 259 CD1 PHE A 791 5.722 -10.041 2.022 1.00 0.44 C ATOM 260 CD2 PHE A 791 7.957 -10.414 1.276 1.00 0.47 C ATOM 261 CE1 PHE A 791 6.143 -8.939 2.741 1.00 0.57 C ATOM 262 CE2 PHE A 791 8.384 -9.312 1.992 1.00 0.59 C ATOM 263 CZ PHE A 791 7.475 -8.573 2.725 1.00 0.63 C ATOM 0 H PHE A 791 5.252 -13.715 -1.027 1.00 0.20 H new ATOM 0 HA PHE A 791 4.506 -11.103 -0.527 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.510 -12.593 1.132 1.00 0.26 H new ATOM 0 HB3 PHE A 791 7.028 -12.606 0.256 1.00 0.26 H new ATOM 0 HD1 PHE A 791 4.679 -10.321 2.036 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.671 -10.988 0.704 1.00 0.47 H new ATOM 0 HE1 PHE A 791 5.431 -8.364 3.315 1.00 0.57 H new ATOM 0 HE2 PHE A 791 9.426 -9.029 1.979 1.00 0.59 H new ATOM 0 HZ PHE A 791 7.805 -7.710 3.285 1.00 0.63 H new ATOM 273 N ASP A 792 6.959 -11.329 -2.633 1.00 0.17 N ATOM 274 CA ASP A 792 7.794 -10.576 -3.553 1.00 0.17 C ATOM 275 C ASP A 792 6.918 -9.753 -4.486 1.00 0.16 C ATOM 276 O ASP A 792 6.965 -8.525 -4.467 1.00 0.19 O ATOM 277 CB ASP A 792 8.681 -11.519 -4.365 1.00 0.22 C ATOM 278 CG ASP A 792 9.636 -12.309 -3.494 1.00 1.17 C ATOM 279 OD1 ASP A 792 9.157 -13.065 -2.622 1.00 2.05 O ATOM 280 OD2 ASP A 792 10.863 -12.171 -3.681 1.00 1.47 O ATOM 0 H ASP A 792 6.947 -12.335 -2.800 1.00 0.17 H new ATOM 0 HA ASP A 792 8.435 -9.908 -2.978 1.00 0.17 H new ATOM 0 HB2 ASP A 792 8.053 -12.209 -4.928 1.00 0.22 H new ATOM 0 HB3 ASP A 792 9.251 -10.941 -5.092 1.00 0.22 H new ATOM 285 N ASP A 793 6.105 -10.442 -5.290 1.00 0.17 N ATOM 286 CA ASP A 793 5.203 -9.774 -6.222 1.00 0.18 C ATOM 287 C ASP A 793 4.347 -8.753 -5.489 1.00 0.17 C ATOM 288 O ASP A 793 3.942 -7.738 -6.056 1.00 0.24 O ATOM 289 CB ASP A 793 4.306 -10.794 -6.925 1.00 0.19 C ATOM 290 CG ASP A 793 4.108 -10.473 -8.393 1.00 0.56 C ATOM 291 OD1 ASP A 793 3.453 -9.451 -8.693 1.00 1.07 O ATOM 292 OD2 ASP A 793 4.608 -11.239 -9.243 1.00 1.04 O ATOM 0 H ASP A 793 6.055 -11.461 -5.312 1.00 0.17 H new ATOM 0 HA ASP A 793 5.805 -9.260 -6.971 1.00 0.18 H new ATOM 0 HB2 ASP A 793 4.745 -11.787 -6.829 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.336 -10.825 -6.428 1.00 0.19 H new ATOM 297 N LEU A 794 4.087 -9.025 -4.215 1.00 0.14 N ATOM 298 CA LEU A 794 3.291 -8.128 -3.391 1.00 0.15 C ATOM 299 C LEU A 794 4.045 -6.828 -3.148 1.00 0.15 C ATOM 300 O LEU A 794 3.531 -5.739 -3.407 1.00 0.17 O ATOM 301 CB LEU A 794 2.951 -8.779 -2.048 1.00 0.19 C ATOM 302 CG LEU A 794 1.916 -8.023 -1.216 1.00 0.26 C ATOM 303 CD1 LEU A 794 0.611 -7.863 -1.985 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.675 -8.728 0.110 1.00 0.70 C ATOM 0 H LEU A 794 4.417 -9.860 -3.732 1.00 0.14 H new ATOM 0 HA LEU A 794 2.364 -7.916 -3.923 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.583 -9.788 -2.232 1.00 0.19 H new ATOM 0 HB3 LEU A 794 3.866 -8.875 -1.464 1.00 0.19 H new ATOM 0 HG LEU A 794 2.310 -7.028 -1.009 1.00 0.26 H new ATOM 0 HD11 LEU A 794 -0.109 -7.322 -1.371 1.00 0.93 H new ATOM 0 HD12 LEU A 794 0.796 -7.306 -2.904 1.00 0.93 H new ATOM 0 HD13 LEU A 794 0.211 -8.847 -2.231 1.00 0.93 H new ATOM 0 HD21 LEU A 794 0.935 -8.174 0.687 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.308 -9.738 -0.076 1.00 0.70 H new ATOM 0 HD23 LEU A 794 2.609 -8.779 0.670 1.00 0.70 H new ATOM 316 N ILE A 795 5.268 -6.959 -2.650 1.00 0.19 N ATOM 317 CA ILE A 795 6.105 -5.802 -2.368 1.00 0.22 C ATOM 318 C ILE A 795 6.365 -4.989 -3.630 1.00 0.21 C ATOM 319 O ILE A 795 6.518 -3.775 -3.563 1.00 0.23 O ATOM 320 CB ILE A 795 7.443 -6.223 -1.733 1.00 0.26 C ATOM 321 CG1 ILE A 795 7.217 -6.743 -0.309 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.434 -5.067 -1.728 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.511 -5.754 0.596 1.00 0.32 C ATOM 0 H ILE A 795 5.702 -7.856 -2.433 1.00 0.19 H new ATOM 0 HA ILE A 795 5.563 -5.178 -1.657 1.00 0.22 H new ATOM 0 HB ILE A 795 7.867 -7.026 -2.336 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.631 -7.661 -0.356 1.00 0.30 H new ATOM 0 HG13 ILE A 795 8.180 -7.001 0.131 1.00 0.30 H new ATOM 0 HG21 ILE A 795 9.370 -5.392 -1.274 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.621 -4.743 -2.752 1.00 0.28 H new ATOM 0 HG23 ILE A 795 8.022 -4.237 -1.154 1.00 0.28 H new ATOM 0 HD11 ILE A 795 6.386 -6.192 1.586 1.00 0.32 H new ATOM 0 HD12 ILE A 795 7.105 -4.844 0.674 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.533 -5.514 0.180 1.00 0.32 H new ATOM 335 N MET A 796 6.405 -5.657 -4.778 1.00 0.23 N ATOM 336 CA MET A 796 6.639 -4.969 -6.045 1.00 0.26 C ATOM 337 C MET A 796 5.441 -4.101 -6.405 1.00 0.23 C ATOM 338 O MET A 796 5.591 -2.912 -6.686 1.00 0.22 O ATOM 339 CB MET A 796 6.910 -5.973 -7.170 1.00 0.36 C ATOM 340 CG MET A 796 7.904 -7.058 -6.797 1.00 0.46 C ATOM 341 SD MET A 796 8.663 -7.832 -8.240 1.00 0.67 S ATOM 342 CE MET A 796 9.530 -6.438 -8.956 1.00 1.53 C ATOM 0 H MET A 796 6.280 -6.666 -4.859 1.00 0.23 H new ATOM 0 HA MET A 796 7.517 -4.334 -5.927 1.00 0.26 H new ATOM 0 HB2 MET A 796 5.969 -6.440 -7.462 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.283 -5.436 -8.042 1.00 0.36 H new ATOM 0 HG2 MET A 796 8.684 -6.630 -6.167 1.00 0.46 H new ATOM 0 HG3 MET A 796 7.398 -7.820 -6.205 1.00 0.46 H new ATOM 0 HE1 MET A 796 10.554 -6.729 -9.192 1.00 1.53 H new ATOM 0 HE2 MET A 796 9.022 -6.123 -9.868 1.00 1.53 H new ATOM 0 HE3 MET A 796 9.542 -5.613 -8.244 1.00 1.53 H new ATOM 352 N ALA A 797 4.250 -4.698 -6.389 1.00 0.26 N ATOM 353 CA ALA A 797 3.030 -3.969 -6.702 1.00 0.30 C ATOM 354 C ALA A 797 2.915 -2.737 -5.814 1.00 0.28 C ATOM 355 O ALA A 797 2.738 -1.618 -6.300 1.00 0.30 O ATOM 356 CB ALA A 797 1.813 -4.867 -6.529 1.00 0.38 C ATOM 0 H ALA A 797 4.108 -5.682 -6.163 1.00 0.26 H new ATOM 0 HA ALA A 797 3.072 -3.647 -7.743 1.00 0.30 H new ATOM 0 HB1 ALA A 797 0.910 -4.305 -6.767 1.00 0.38 H new ATOM 0 HB2 ALA A 797 1.895 -5.724 -7.198 1.00 0.38 H new ATOM 0 HB3 ALA A 797 1.762 -5.216 -5.498 1.00 0.38 H new ATOM 362 N ILE A 798 3.041 -2.955 -4.509 1.00 0.27 N ATOM 363 CA ILE A 798 2.979 -1.870 -3.543 1.00 0.31 C ATOM 364 C ILE A 798 4.057 -0.837 -3.835 1.00 0.29 C ATOM 365 O ILE A 798 3.777 0.356 -3.953 1.00 0.33 O ATOM 366 CB ILE A 798 3.169 -2.396 -2.110 1.00 0.35 C ATOM 367 CG1 ILE A 798 1.987 -3.283 -1.712 1.00 0.40 C ATOM 368 CG2 ILE A 798 3.340 -1.237 -1.138 1.00 0.42 C ATOM 369 CD1 ILE A 798 2.118 -3.888 -0.330 1.00 0.50 C ATOM 0 H ILE A 798 3.187 -3.877 -4.098 1.00 0.27 H new ATOM 0 HA ILE A 798 1.995 -1.410 -3.628 1.00 0.31 H new ATOM 0 HB ILE A 798 4.075 -3.001 -2.072 1.00 0.35 H new ATOM 0 HG12 ILE A 798 1.071 -2.694 -1.756 1.00 0.40 H new ATOM 0 HG13 ILE A 798 1.885 -4.086 -2.442 1.00 0.40 H new ATOM 0 HG21 ILE A 798 3.473 -1.626 -0.128 1.00 0.42 H new ATOM 0 HG22 ILE A 798 4.215 -0.652 -1.420 1.00 0.42 H new ATOM 0 HG23 ILE A 798 2.454 -0.603 -1.169 1.00 0.42 H new ATOM 0 HD11 ILE A 798 1.244 -4.503 -0.118 1.00 0.50 H new ATOM 0 HD12 ILE A 798 3.015 -4.505 -0.287 1.00 0.50 H new ATOM 0 HD13 ILE A 798 2.189 -3.091 0.411 1.00 0.50 H new ATOM 381 N ASN A 799 5.291 -1.312 -3.949 1.00 0.25 N ATOM 382 CA ASN A 799 6.432 -0.448 -4.227 1.00 0.29 C ATOM 383 C ASN A 799 6.223 0.345 -5.510 1.00 0.27 C ATOM 384 O ASN A 799 6.848 1.385 -5.718 1.00 0.36 O ATOM 385 CB ASN A 799 7.707 -1.277 -4.339 1.00 0.30 C ATOM 386 CG ASN A 799 8.933 -0.536 -3.839 1.00 0.38 C ATOM 387 OD1 ASN A 799 9.010 0.689 -3.921 1.00 0.81 O ATOM 388 ND2 ASN A 799 9.901 -1.280 -3.316 1.00 0.78 N ATOM 0 H ASN A 799 5.528 -2.299 -3.852 1.00 0.25 H new ATOM 0 HA ASN A 799 6.528 0.254 -3.399 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.587 -2.199 -3.770 1.00 0.30 H new ATOM 0 HB3 ASN A 799 7.860 -1.563 -5.380 1.00 0.30 H new ATOM 0 HD21 ASN A 799 10.750 -0.838 -2.963 1.00 0.78 H new ATOM 0 HD22 ASN A 799 9.796 -2.293 -3.268 1.00 0.78 H new ATOM 395 N SER A 800 5.341 -0.152 -6.371 1.00 0.22 N ATOM 396 CA SER A 800 5.049 0.511 -7.635 1.00 0.25 C ATOM 397 C SER A 800 4.096 1.680 -7.420 1.00 0.28 C ATOM 398 O SER A 800 4.148 2.678 -8.139 1.00 0.33 O ATOM 399 CB SER A 800 4.444 -0.483 -8.626 1.00 0.28 C ATOM 400 OG SER A 800 4.319 0.091 -9.915 1.00 0.98 O ATOM 0 H SER A 800 4.816 -1.013 -6.215 1.00 0.22 H new ATOM 0 HA SER A 800 5.983 0.896 -8.045 1.00 0.25 H new ATOM 0 HB2 SER A 800 5.071 -1.373 -8.681 1.00 0.28 H new ATOM 0 HB3 SER A 800 3.465 -0.804 -8.271 1.00 0.28 H new ATOM 0 HG SER A 800 3.931 -0.566 -10.530 1.00 0.98 H new ATOM 406 N LYS A 801 3.225 1.545 -6.426 1.00 0.30 N ATOM 407 CA LYS A 801 2.253 2.586 -6.109 1.00 0.37 C ATOM 408 C LYS A 801 2.768 3.506 -5.005 1.00 0.40 C ATOM 409 O LYS A 801 2.158 4.534 -4.711 1.00 0.49 O ATOM 410 CB LYS A 801 0.925 1.957 -5.688 1.00 0.42 C ATOM 411 CG LYS A 801 0.072 1.495 -6.858 1.00 0.67 C ATOM 412 CD LYS A 801 -0.840 2.607 -7.352 1.00 1.05 C ATOM 413 CE LYS A 801 -2.146 2.052 -7.902 1.00 1.43 C ATOM 414 NZ LYS A 801 -1.918 1.111 -9.034 1.00 2.25 N ATOM 0 H LYS A 801 3.172 0.723 -5.824 1.00 0.30 H new ATOM 0 HA LYS A 801 2.098 3.186 -7.006 1.00 0.37 H new ATOM 0 HB2 LYS A 801 1.126 1.106 -5.037 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.360 2.681 -5.101 1.00 0.42 H new ATOM 0 HG2 LYS A 801 0.717 1.163 -7.672 1.00 0.67 H new ATOM 0 HG3 LYS A 801 -0.528 0.637 -6.556 1.00 0.67 H new ATOM 0 HD2 LYS A 801 -1.052 3.296 -6.534 1.00 1.05 H new ATOM 0 HD3 LYS A 801 -0.331 3.179 -8.128 1.00 1.05 H new ATOM 0 HE2 LYS A 801 -2.686 1.538 -7.106 1.00 1.43 H new ATOM 0 HE3 LYS A 801 -2.778 2.875 -8.236 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 -2.833 0.822 -9.434 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 -1.352 1.582 -9.768 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 -1.409 0.271 -8.690 1.00 2.25 H new ATOM 428 N ILE A 802 3.889 3.132 -4.397 1.00 0.39 N ATOM 429 CA ILE A 802 4.476 3.931 -3.327 1.00 0.45 C ATOM 430 C ILE A 802 5.788 4.572 -3.768 1.00 0.50 C ATOM 431 O ILE A 802 6.208 5.589 -3.218 1.00 0.60 O ATOM 432 CB ILE A 802 4.725 3.086 -2.059 1.00 0.47 C ATOM 433 CG1 ILE A 802 5.891 2.122 -2.271 1.00 0.42 C ATOM 434 CG2 ILE A 802 3.467 2.328 -1.668 1.00 0.49 C ATOM 435 CD1 ILE A 802 6.869 2.095 -1.115 1.00 0.75 C ATOM 0 H ILE A 802 4.408 2.284 -4.626 1.00 0.39 H new ATOM 0 HA ILE A 802 3.756 4.715 -3.093 1.00 0.45 H new ATOM 0 HB ILE A 802 4.987 3.761 -1.244 1.00 0.47 H new ATOM 0 HG12 ILE A 802 5.498 1.118 -2.428 1.00 0.42 H new ATOM 0 HG13 ILE A 802 6.423 2.402 -3.180 1.00 0.42 H new ATOM 0 HG21 ILE A 802 3.661 1.738 -0.772 1.00 0.49 H new ATOM 0 HG22 ILE A 802 2.663 3.036 -1.469 1.00 0.49 H new ATOM 0 HG23 ILE A 802 3.174 1.665 -2.482 1.00 0.49 H new ATOM 0 HD11 ILE A 802 7.671 1.390 -1.333 1.00 0.75 H new ATOM 0 HD12 ILE A 802 7.290 3.090 -0.971 1.00 0.75 H new ATOM 0 HD13 ILE A 802 6.351 1.786 -0.207 1.00 0.75 H new ATOM 447 N SER A 803 6.431 3.969 -4.762 1.00 0.45 N ATOM 448 CA SER A 803 7.697 4.481 -5.275 1.00 0.53 C ATOM 449 C SER A 803 7.841 4.185 -6.765 1.00 0.61 C ATOM 450 O SER A 803 8.792 3.529 -7.190 1.00 1.19 O ATOM 451 CB SER A 803 8.866 3.865 -4.502 1.00 0.60 C ATOM 452 OG SER A 803 10.031 4.666 -4.610 1.00 1.53 O ATOM 0 H SER A 803 6.097 3.126 -5.228 1.00 0.45 H new ATOM 0 HA SER A 803 7.708 5.562 -5.138 1.00 0.53 H new ATOM 0 HB2 SER A 803 8.593 3.755 -3.452 1.00 0.60 H new ATOM 0 HB3 SER A 803 9.072 2.865 -4.885 1.00 0.60 H new ATOM 0 HG SER A 803 10.762 4.250 -4.106 1.00 1.53 H new ATOM 576 N PRO A 812 11.421 3.222 -0.699 1.00 0.70 N ATOM 577 CA PRO A 812 10.504 2.079 -0.700 1.00 0.66 C ATOM 578 C PRO A 812 10.268 1.521 0.700 1.00 0.62 C ATOM 579 O PRO A 812 10.744 2.077 1.689 1.00 0.73 O ATOM 580 CB PRO A 812 11.232 1.054 -1.564 1.00 0.70 C ATOM 581 CG PRO A 812 12.676 1.352 -1.354 1.00 0.95 C ATOM 582 CD PRO A 812 12.773 2.842 -1.158 1.00 0.77 C ATOM 0 HA PRO A 812 9.514 2.348 -1.068 1.00 0.66 H new ATOM 0 HB2 PRO A 812 10.988 0.035 -1.262 1.00 0.70 H new ATOM 0 HB3 PRO A 812 10.955 1.150 -2.614 1.00 0.70 H new ATOM 0 HG2 PRO A 812 13.061 0.819 -0.485 1.00 0.95 H new ATOM 0 HG3 PRO A 812 13.268 1.033 -2.212 1.00 0.95 H new ATOM 0 HD2 PRO A 812 13.534 3.101 -0.421 1.00 0.77 H new ATOM 0 HD3 PRO A 812 13.040 3.351 -2.084 1.00 0.77 H new ATOM 590 N ILE A 813 9.533 0.416 0.771 1.00 0.62 N ATOM 591 CA ILE A 813 9.234 -0.227 2.046 1.00 0.61 C ATOM 592 C ILE A 813 9.409 -1.741 1.951 1.00 0.59 C ATOM 593 O ILE A 813 9.656 -2.280 0.872 1.00 0.75 O ATOM 594 CB ILE A 813 7.796 0.084 2.512 1.00 0.70 C ATOM 595 CG1 ILE A 813 6.782 -0.421 1.483 1.00 1.22 C ATOM 596 CG2 ILE A 813 7.627 1.578 2.746 1.00 1.05 C ATOM 597 CD1 ILE A 813 5.363 -0.483 2.009 1.00 1.94 C ATOM 0 H ILE A 813 9.133 -0.054 -0.041 1.00 0.62 H new ATOM 0 HA ILE A 813 9.938 0.174 2.775 1.00 0.61 H new ATOM 0 HB ILE A 813 7.614 -0.433 3.454 1.00 0.70 H new ATOM 0 HG12 ILE A 813 6.809 0.230 0.609 1.00 1.22 H new ATOM 0 HG13 ILE A 813 7.080 -1.415 1.149 1.00 1.22 H new ATOM 0 HG21 ILE A 813 6.608 1.782 3.074 1.00 1.05 H new ATOM 0 HG22 ILE A 813 8.328 1.908 3.513 1.00 1.05 H new ATOM 0 HG23 ILE A 813 7.824 2.116 1.819 1.00 1.05 H new ATOM 0 HD11 ILE A 813 4.700 -0.850 1.225 1.00 1.94 H new ATOM 0 HD12 ILE A 813 5.321 -1.157 2.864 1.00 1.94 H new ATOM 0 HD13 ILE A 813 5.045 0.513 2.317 1.00 1.94 H new ATOM 609 N THR A 814 9.276 -2.421 3.087 1.00 0.49 N ATOM 610 CA THR A 814 9.417 -3.874 3.129 1.00 0.49 C ATOM 611 C THR A 814 8.490 -4.484 4.173 1.00 0.47 C ATOM 612 O THR A 814 7.614 -5.287 3.848 1.00 0.54 O ATOM 613 CB THR A 814 10.869 -4.294 3.433 1.00 0.53 C ATOM 614 OG1 THR A 814 10.891 -5.623 3.968 1.00 1.16 O ATOM 615 CG2 THR A 814 11.520 -3.335 4.421 1.00 1.07 C ATOM 0 H THR A 814 9.071 -1.990 3.989 1.00 0.49 H new ATOM 0 HA THR A 814 9.143 -4.247 2.142 1.00 0.49 H new ATOM 0 HB THR A 814 11.433 -4.265 2.501 1.00 0.53 H new ATOM 0 HG1 THR A 814 11.816 -5.884 4.157 1.00 1.16 H new ATOM 0 HG21 THR A 814 12.543 -3.655 4.618 1.00 1.07 H new ATOM 0 HG22 THR A 814 11.528 -2.329 4.000 1.00 1.07 H new ATOM 0 HG23 THR A 814 10.955 -3.334 5.353 1.00 1.07 H new ATOM 623 N LYS A 815 8.682 -4.095 5.431 1.00 0.42 N ATOM 624 CA LYS A 815 7.860 -4.600 6.523 1.00 0.42 C ATOM 625 C LYS A 815 6.674 -3.675 6.769 1.00 0.40 C ATOM 626 O LYS A 815 6.844 -2.468 6.944 1.00 0.48 O ATOM 627 CB LYS A 815 8.692 -4.737 7.798 1.00 0.49 C ATOM 628 CG LYS A 815 8.177 -5.807 8.747 1.00 0.89 C ATOM 629 CD LYS A 815 9.301 -6.695 9.253 1.00 1.30 C ATOM 630 CE LYS A 815 9.404 -6.651 10.768 1.00 1.97 C ATOM 631 NZ LYS A 815 8.144 -7.103 11.422 1.00 2.69 N ATOM 0 H LYS A 815 9.401 -3.431 5.718 1.00 0.42 H new ATOM 0 HA LYS A 815 7.484 -5.584 6.243 1.00 0.42 H new ATOM 0 HB2 LYS A 815 9.722 -4.969 7.527 1.00 0.49 H new ATOM 0 HB3 LYS A 815 8.707 -3.779 8.317 1.00 0.49 H new ATOM 0 HG2 LYS A 815 7.678 -5.334 9.593 1.00 0.89 H new ATOM 0 HG3 LYS A 815 7.432 -6.418 8.237 1.00 0.89 H new ATOM 0 HD2 LYS A 815 9.130 -7.721 8.928 1.00 1.30 H new ATOM 0 HD3 LYS A 815 10.246 -6.375 8.813 1.00 1.30 H new ATOM 0 HE2 LYS A 815 10.230 -7.283 11.095 1.00 1.97 H new ATOM 0 HE3 LYS A 815 9.635 -5.635 11.087 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 8.359 -7.478 12.368 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 7.490 -6.299 11.509 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 7.702 -7.848 10.846 1.00 2.69 H new ATOM 645 N ILE A 816 5.473 -4.244 6.769 1.00 0.36 N ATOM 646 CA ILE A 816 4.262 -3.460 6.980 1.00 0.38 C ATOM 647 C ILE A 816 3.136 -4.312 7.560 1.00 0.33 C ATOM 648 O ILE A 816 3.295 -5.514 7.772 1.00 0.37 O ATOM 649 CB ILE A 816 3.773 -2.822 5.665 1.00 0.41 C ATOM 650 CG1 ILE A 816 4.190 -3.678 4.465 1.00 0.59 C ATOM 651 CG2 ILE A 816 4.315 -1.407 5.525 1.00 0.84 C ATOM 652 CD1 ILE A 816 3.420 -4.975 4.345 1.00 0.53 C ATOM 0 H ILE A 816 5.313 -5.241 6.626 1.00 0.36 H new ATOM 0 HA ILE A 816 4.520 -2.675 7.691 1.00 0.38 H new ATOM 0 HB ILE A 816 2.684 -2.773 5.690 1.00 0.41 H new ATOM 0 HG12 ILE A 816 4.053 -3.099 3.552 1.00 0.59 H new ATOM 0 HG13 ILE A 816 5.254 -3.903 4.543 1.00 0.59 H new ATOM 0 HG21 ILE A 816 3.960 -0.972 4.591 1.00 0.84 H new ATOM 0 HG22 ILE A 816 3.970 -0.801 6.362 1.00 0.84 H new ATOM 0 HG23 ILE A 816 5.405 -1.433 5.521 1.00 0.84 H new ATOM 0 HD11 ILE A 816 3.770 -5.527 3.473 1.00 0.53 H new ATOM 0 HD12 ILE A 816 3.577 -5.575 5.241 1.00 0.53 H new ATOM 0 HD13 ILE A 816 2.357 -4.758 4.235 1.00 0.53 H new ATOM 664 N LYS A 817 1.995 -3.674 7.802 1.00 0.32 N ATOM 665 CA LYS A 817 0.828 -4.358 8.347 1.00 0.31 C ATOM 666 C LYS A 817 -0.258 -4.475 7.284 1.00 0.32 C ATOM 667 O LYS A 817 -0.069 -4.048 6.146 1.00 0.59 O ATOM 668 CB LYS A 817 0.293 -3.602 9.567 1.00 0.37 C ATOM 669 CG LYS A 817 1.260 -3.580 10.739 1.00 0.39 C ATOM 670 CD LYS A 817 0.646 -4.205 11.980 1.00 0.38 C ATOM 671 CE LYS A 817 0.971 -3.402 13.228 1.00 0.50 C ATOM 672 NZ LYS A 817 0.651 -4.155 14.472 1.00 0.85 N ATOM 0 H LYS A 817 1.854 -2.679 7.628 1.00 0.32 H new ATOM 0 HA LYS A 817 1.124 -5.360 8.658 1.00 0.31 H new ATOM 0 HB2 LYS A 817 0.063 -2.577 9.277 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.643 -4.060 9.887 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.170 -4.118 10.472 1.00 0.39 H new ATOM 0 HG3 LYS A 817 1.550 -2.551 10.954 1.00 0.39 H new ATOM 0 HD2 LYS A 817 -0.435 -4.269 11.859 1.00 0.38 H new ATOM 0 HD3 LYS A 817 1.015 -5.224 12.096 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.029 -3.139 13.225 1.00 0.50 H new ATOM 0 HE3 LYS A 817 0.410 -2.468 13.215 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 0.186 -3.520 15.152 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 0.015 -4.946 14.245 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 1.529 -4.526 14.889 1.00 0.85 H new ATOM 686 N TYR A 818 -1.396 -5.051 7.658 1.00 0.23 N ATOM 687 CA TYR A 818 -2.503 -5.215 6.722 1.00 0.22 C ATOM 688 C TYR A 818 -3.833 -5.340 7.462 1.00 0.23 C ATOM 689 O TYR A 818 -3.861 -5.590 8.667 1.00 0.31 O ATOM 690 CB TYR A 818 -2.274 -6.444 5.836 1.00 0.26 C ATOM 691 CG TYR A 818 -2.390 -7.761 6.571 1.00 0.30 C ATOM 692 CD1 TYR A 818 -1.404 -8.171 7.461 1.00 0.46 C ATOM 693 CD2 TYR A 818 -3.485 -8.594 6.379 1.00 0.41 C ATOM 694 CE1 TYR A 818 -1.505 -9.372 8.137 1.00 0.58 C ATOM 695 CE2 TYR A 818 -3.595 -9.795 7.052 1.00 0.51 C ATOM 696 CZ TYR A 818 -2.602 -10.187 7.919 1.00 0.56 C ATOM 697 OH TYR A 818 -2.708 -11.376 8.601 1.00 0.71 O ATOM 0 H TYR A 818 -1.576 -5.410 8.596 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.546 -4.327 6.091 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -2.996 -6.430 5.019 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.283 -6.376 5.387 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -0.544 -7.540 7.627 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -4.264 -8.297 5.692 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -0.733 -9.672 8.830 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -4.459 -10.425 6.898 1.00 0.51 H new ATOM 0 HH TYR A 818 -3.623 -11.480 8.938 1.00 0.71 H new ATOM 707 N GLN A 819 -4.932 -5.166 6.732 1.00 0.27 N ATOM 708 CA GLN A 819 -6.263 -5.260 7.315 1.00 0.34 C ATOM 709 C GLN A 819 -6.715 -6.709 7.385 1.00 0.40 C ATOM 710 O GLN A 819 -7.111 -7.301 6.381 1.00 0.45 O ATOM 711 CB GLN A 819 -7.267 -4.442 6.504 1.00 0.44 C ATOM 712 CG GLN A 819 -8.552 -4.143 7.257 1.00 0.56 C ATOM 713 CD GLN A 819 -9.788 -4.605 6.512 1.00 1.14 C ATOM 714 OE1 GLN A 819 -10.082 -4.129 5.415 1.00 1.91 O ATOM 715 NE2 GLN A 819 -10.520 -5.543 7.105 1.00 1.44 N ATOM 0 H GLN A 819 -4.924 -4.959 5.733 1.00 0.27 H new ATOM 0 HA GLN A 819 -6.217 -4.856 8.326 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -6.802 -3.502 6.207 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.509 -4.982 5.588 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -8.518 -4.629 8.232 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.621 -3.070 7.437 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -10.240 -5.910 8.015 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -11.362 -5.896 6.650 1.00 1.44 H new ATOM 724 N ASP A 820 -6.650 -7.272 8.581 1.00 0.43 N ATOM 725 CA ASP A 820 -7.049 -8.658 8.800 1.00 0.53 C ATOM 726 C ASP A 820 -8.564 -8.780 8.901 1.00 0.62 C ATOM 727 O ASP A 820 -9.281 -7.780 8.868 1.00 0.65 O ATOM 728 CB ASP A 820 -6.396 -9.206 10.071 1.00 0.58 C ATOM 729 CG ASP A 820 -6.260 -10.715 10.044 1.00 1.13 C ATOM 730 OD1 ASP A 820 -5.411 -11.220 9.282 1.00 1.80 O ATOM 731 OD2 ASP A 820 -7.003 -11.391 10.786 1.00 1.34 O ATOM 0 H ASP A 820 -6.324 -6.791 9.419 1.00 0.43 H new ATOM 0 HA ASP A 820 -6.712 -9.244 7.945 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -5.410 -8.757 10.193 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -6.989 -8.912 10.937 1.00 0.58 H new ATOM 736 N GLU A 821 -9.045 -10.013 9.025 1.00 0.71 N ATOM 737 CA GLU A 821 -10.478 -10.269 9.133 1.00 0.82 C ATOM 738 C GLU A 821 -10.958 -10.085 10.568 1.00 0.83 C ATOM 739 O GLU A 821 -11.940 -10.698 10.989 1.00 0.97 O ATOM 740 CB GLU A 821 -10.805 -11.684 8.651 1.00 0.96 C ATOM 741 CG GLU A 821 -9.999 -12.768 9.349 1.00 1.10 C ATOM 742 CD GLU A 821 -10.870 -13.893 9.878 1.00 1.30 C ATOM 743 OE1 GLU A 821 -11.104 -14.865 9.130 1.00 1.62 O ATOM 744 OE2 GLU A 821 -11.319 -13.799 11.040 1.00 1.53 O ATOM 0 H GLU A 821 -8.464 -10.851 9.053 1.00 0.71 H new ATOM 0 HA GLU A 821 -10.997 -9.549 8.500 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -11.867 -11.875 8.807 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -10.625 -11.744 7.578 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -9.267 -13.177 8.652 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -9.441 -12.326 10.175 1.00 1.10 H new ATOM 751 N ASP A 822 -10.261 -9.234 11.317 1.00 0.79 N ATOM 752 CA ASP A 822 -10.617 -8.967 12.705 1.00 0.81 C ATOM 753 C ASP A 822 -11.093 -7.529 12.874 1.00 0.73 C ATOM 754 O ASP A 822 -11.449 -7.109 13.976 1.00 0.78 O ATOM 755 CB ASP A 822 -9.420 -9.231 13.621 1.00 0.86 C ATOM 756 CG ASP A 822 -9.750 -10.207 14.734 1.00 1.20 C ATOM 757 OD1 ASP A 822 -10.701 -9.935 15.497 1.00 1.65 O ATOM 758 OD2 ASP A 822 -9.060 -11.242 14.841 1.00 1.56 O ATOM 0 H ASP A 822 -9.446 -8.718 10.984 1.00 0.79 H new ATOM 0 HA ASP A 822 -11.431 -9.637 12.982 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -8.593 -9.624 13.030 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -9.083 -8.290 14.055 1.00 0.86 H new ATOM 763 N GLY A 823 -11.096 -6.779 11.777 1.00 0.68 N ATOM 764 CA GLY A 823 -11.530 -5.396 11.825 1.00 0.70 C ATOM 765 C GLY A 823 -10.422 -4.457 12.255 1.00 0.67 C ATOM 766 O GLY A 823 -10.681 -3.316 12.638 1.00 0.88 O ATOM 0 H GLY A 823 -10.805 -7.105 10.855 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -11.894 -5.098 10.842 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -12.368 -5.305 12.516 1.00 0.70 H new ATOM 770 N ASP A 824 -9.183 -4.935 12.189 1.00 0.54 N ATOM 771 CA ASP A 824 -8.033 -4.131 12.574 1.00 0.57 C ATOM 772 C ASP A 824 -6.841 -4.430 11.666 1.00 0.55 C ATOM 773 O ASP A 824 -7.008 -4.695 10.473 1.00 0.93 O ATOM 774 CB ASP A 824 -7.673 -4.394 14.038 1.00 0.65 C ATOM 775 CG ASP A 824 -7.075 -3.175 14.716 1.00 1.15 C ATOM 776 OD1 ASP A 824 -7.397 -2.044 14.297 1.00 1.86 O ATOM 777 OD2 ASP A 824 -6.285 -3.354 15.666 1.00 1.48 O ATOM 0 H ASP A 824 -8.952 -5.876 11.872 1.00 0.54 H new ATOM 0 HA ASP A 824 -8.291 -3.078 12.462 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -8.567 -4.705 14.579 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -6.964 -5.220 14.092 1.00 0.65 H new ATOM 782 N PHE A 825 -5.640 -4.384 12.230 1.00 0.42 N ATOM 783 CA PHE A 825 -4.429 -4.645 11.462 1.00 0.37 C ATOM 784 C PHE A 825 -3.533 -5.666 12.156 1.00 0.38 C ATOM 785 O PHE A 825 -3.457 -5.711 13.384 1.00 0.44 O ATOM 786 CB PHE A 825 -3.656 -3.345 11.235 1.00 0.39 C ATOM 787 CG PHE A 825 -4.384 -2.358 10.366 1.00 0.41 C ATOM 788 CD1 PHE A 825 -4.265 -2.411 8.988 1.00 0.38 C ATOM 789 CD2 PHE A 825 -5.188 -1.380 10.929 1.00 0.59 C ATOM 790 CE1 PHE A 825 -4.932 -1.505 8.185 1.00 0.43 C ATOM 791 CE2 PHE A 825 -5.858 -0.470 10.132 1.00 0.64 C ATOM 792 CZ PHE A 825 -5.730 -0.534 8.757 1.00 0.52 C ATOM 0 H PHE A 825 -5.479 -4.169 13.214 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.731 -5.060 10.500 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.447 -2.883 12.200 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.694 -3.579 10.779 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -3.644 -3.169 8.535 1.00 0.38 H new ATOM 0 HD2 PHE A 825 -5.293 -1.328 12.003 1.00 0.59 H new ATOM 0 HE1 PHE A 825 -4.829 -1.556 7.111 1.00 0.43 H new ATOM 0 HE2 PHE A 825 -6.480 0.289 10.583 1.00 0.64 H new ATOM 0 HZ PHE A 825 -6.253 0.174 8.131 1.00 0.52 H new ATOM 802 N VAL A 826 -2.853 -6.474 11.352 1.00 0.38 N ATOM 803 CA VAL A 826 -1.950 -7.493 11.860 1.00 0.45 C ATOM 804 C VAL A 826 -0.550 -7.273 11.288 1.00 0.36 C ATOM 805 O VAL A 826 -0.385 -6.537 10.316 1.00 0.31 O ATOM 806 CB VAL A 826 -2.476 -8.898 11.505 1.00 0.54 C ATOM 807 CG1 VAL A 826 -1.380 -9.948 11.573 1.00 0.97 C ATOM 808 CG2 VAL A 826 -3.634 -9.271 12.416 1.00 0.79 C ATOM 0 H VAL A 826 -2.913 -6.440 10.334 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.897 -7.418 12.946 1.00 0.45 H new ATOM 0 HB VAL A 826 -2.830 -8.868 10.475 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -1.794 -10.923 11.316 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -0.588 -9.693 10.869 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -0.971 -9.982 12.583 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -3.997 -10.265 12.155 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -3.297 -9.268 13.453 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -4.440 -8.548 12.295 1.00 0.79 H new ATOM 818 N VAL A 827 0.455 -7.900 11.890 1.00 0.37 N ATOM 819 CA VAL A 827 1.828 -7.745 11.427 1.00 0.33 C ATOM 820 C VAL A 827 2.241 -8.900 10.524 1.00 0.30 C ATOM 821 O VAL A 827 2.451 -10.022 10.984 1.00 0.35 O ATOM 822 CB VAL A 827 2.822 -7.655 12.602 1.00 0.41 C ATOM 823 CG1 VAL A 827 3.886 -6.605 12.323 1.00 0.52 C ATOM 824 CG2 VAL A 827 2.093 -7.350 13.904 1.00 0.56 C ATOM 0 H VAL A 827 0.345 -8.517 12.695 1.00 0.37 H new ATOM 0 HA VAL A 827 1.858 -6.812 10.864 1.00 0.33 H new ATOM 0 HB VAL A 827 3.314 -8.622 12.707 1.00 0.41 H new ATOM 0 HG11 VAL A 827 4.578 -6.556 13.164 1.00 0.52 H new ATOM 0 HG12 VAL A 827 4.432 -6.872 11.418 1.00 0.52 H new ATOM 0 HG13 VAL A 827 3.411 -5.633 12.187 1.00 0.52 H new ATOM 0 HG21 VAL A 827 2.814 -7.291 14.719 1.00 0.56 H new ATOM 0 HG22 VAL A 827 1.569 -6.398 13.813 1.00 0.56 H new ATOM 0 HG23 VAL A 827 1.374 -8.142 14.112 1.00 0.56 H new ATOM 834 N LEU A 828 2.351 -8.609 9.231 1.00 0.26 N ATOM 835 CA LEU A 828 2.737 -9.610 8.245 1.00 0.28 C ATOM 836 C LEU A 828 4.246 -9.824 8.256 1.00 0.46 C ATOM 837 O LEU A 828 5.018 -8.868 8.323 1.00 0.60 O ATOM 838 CB LEU A 828 2.280 -9.178 6.848 1.00 0.31 C ATOM 839 CG LEU A 828 2.343 -10.267 5.775 1.00 0.45 C ATOM 840 CD1 LEU A 828 1.131 -10.185 4.861 1.00 0.66 C ATOM 841 CD2 LEU A 828 3.629 -10.150 4.969 1.00 0.81 C ATOM 0 H LEU A 828 2.177 -7.683 8.841 1.00 0.26 H new ATOM 0 HA LEU A 828 2.252 -10.551 8.504 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.254 -8.816 6.915 1.00 0.31 H new ATOM 0 HB3 LEU A 828 2.895 -8.337 6.526 1.00 0.31 H new ATOM 0 HG LEU A 828 2.336 -11.238 6.270 1.00 0.45 H new ATOM 0 HD11 LEU A 828 1.193 -10.967 4.104 1.00 0.66 H new ATOM 0 HD12 LEU A 828 0.223 -10.319 5.448 1.00 0.66 H new ATOM 0 HD13 LEU A 828 1.108 -9.210 4.374 1.00 0.66 H new ATOM 0 HD21 LEU A 828 3.656 -10.933 4.211 1.00 0.81 H new ATOM 0 HD22 LEU A 828 3.667 -9.174 4.485 1.00 0.81 H new ATOM 0 HD23 LEU A 828 4.486 -10.259 5.634 1.00 0.81 H new ATOM 853 N GLY A 829 4.657 -11.085 8.190 1.00 0.58 N ATOM 854 CA GLY A 829 6.073 -11.403 8.196 1.00 0.81 C ATOM 855 C GLY A 829 6.658 -11.470 6.800 1.00 0.49 C ATOM 856 O GLY A 829 7.582 -10.725 6.471 1.00 0.45 O ATOM 0 H GLY A 829 4.036 -11.892 8.132 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.609 -10.651 8.775 1.00 0.81 H new ATOM 0 HA3 GLY A 829 6.225 -12.359 8.697 1.00 0.81 H new ATOM 860 N SER A 830 6.117 -12.363 5.978 1.00 0.35 N ATOM 861 CA SER A 830 6.588 -12.528 4.608 1.00 0.23 C ATOM 862 C SER A 830 5.646 -13.443 3.829 1.00 0.19 C ATOM 863 O SER A 830 4.430 -13.380 4.004 1.00 0.20 O ATOM 864 CB SER A 830 8.009 -13.099 4.605 1.00 0.45 C ATOM 865 OG SER A 830 8.905 -12.236 3.923 1.00 1.31 O ATOM 0 H SER A 830 5.351 -12.984 6.237 1.00 0.35 H new ATOM 0 HA SER A 830 6.602 -11.552 4.122 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.348 -13.243 5.631 1.00 0.45 H new ATOM 0 HB3 SER A 830 8.009 -14.079 4.128 1.00 0.45 H new ATOM 0 HG SER A 830 8.455 -11.847 3.144 1.00 1.31 H new ATOM 871 N ASP A 831 6.211 -14.294 2.976 1.00 0.18 N ATOM 872 CA ASP A 831 5.413 -15.220 2.182 1.00 0.18 C ATOM 873 C ASP A 831 4.531 -16.085 3.078 1.00 0.17 C ATOM 874 O ASP A 831 3.504 -16.601 2.638 1.00 0.22 O ATOM 875 CB ASP A 831 6.322 -16.110 1.332 1.00 0.23 C ATOM 876 CG ASP A 831 5.648 -16.575 0.057 1.00 1.33 C ATOM 877 OD1 ASP A 831 4.940 -15.760 -0.572 1.00 2.20 O ATOM 878 OD2 ASP A 831 5.827 -17.755 -0.313 1.00 1.77 O ATOM 0 H ASP A 831 7.217 -14.360 2.818 1.00 0.18 H new ATOM 0 HA ASP A 831 4.770 -14.635 1.525 1.00 0.18 H new ATOM 0 HB2 ASP A 831 7.230 -15.562 1.081 1.00 0.23 H new ATOM 0 HB3 ASP A 831 6.625 -16.978 1.917 1.00 0.23 H new ATOM 883 N GLU A 832 4.937 -16.236 4.335 1.00 0.18 N ATOM 884 CA GLU A 832 4.179 -17.036 5.289 1.00 0.21 C ATOM 885 C GLU A 832 2.816 -16.410 5.558 1.00 0.19 C ATOM 886 O GLU A 832 1.794 -16.904 5.082 1.00 0.19 O ATOM 887 CB GLU A 832 4.957 -17.184 6.600 1.00 0.26 C ATOM 888 CG GLU A 832 4.735 -18.518 7.293 1.00 0.92 C ATOM 889 CD GLU A 832 5.331 -18.556 8.687 1.00 1.41 C ATOM 890 OE1 GLU A 832 5.070 -17.619 9.470 1.00 1.63 O ATOM 891 OE2 GLU A 832 6.062 -19.522 8.994 1.00 2.21 O ATOM 0 H GLU A 832 5.785 -15.816 4.715 1.00 0.18 H new ATOM 0 HA GLU A 832 4.026 -18.025 4.856 1.00 0.21 H new ATOM 0 HB2 GLU A 832 6.021 -17.062 6.397 1.00 0.26 H new ATOM 0 HB3 GLU A 832 4.668 -16.380 7.277 1.00 0.26 H new ATOM 0 HG2 GLU A 832 3.665 -18.719 7.353 1.00 0.92 H new ATOM 0 HG3 GLU A 832 5.175 -19.314 6.692 1.00 0.92 H new ATOM 898 N ASP A 833 2.809 -15.316 6.313 1.00 0.19 N ATOM 899 CA ASP A 833 1.569 -14.619 6.636 1.00 0.19 C ATOM 900 C ASP A 833 0.877 -14.140 5.368 1.00 0.18 C ATOM 901 O ASP A 833 -0.290 -13.754 5.397 1.00 0.18 O ATOM 902 CB ASP A 833 1.848 -13.434 7.563 1.00 0.22 C ATOM 903 CG ASP A 833 1.447 -13.717 8.998 1.00 0.41 C ATOM 904 OD1 ASP A 833 0.243 -13.609 9.311 1.00 0.73 O ATOM 905 OD2 ASP A 833 2.337 -14.050 9.808 1.00 0.73 O ATOM 0 H ASP A 833 3.647 -14.893 6.712 1.00 0.19 H new ATOM 0 HA ASP A 833 0.908 -15.318 7.149 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.910 -13.190 7.527 1.00 0.22 H new ATOM 0 HB3 ASP A 833 1.307 -12.559 7.203 1.00 0.22 H new ATOM 910 N TRP A 834 1.597 -14.186 4.250 1.00 0.17 N ATOM 911 CA TRP A 834 1.031 -13.773 2.974 1.00 0.17 C ATOM 912 C TRP A 834 0.200 -14.902 2.385 1.00 0.17 C ATOM 913 O TRP A 834 -0.877 -14.675 1.833 1.00 0.19 O ATOM 914 CB TRP A 834 2.131 -13.356 1.997 1.00 0.19 C ATOM 915 CG TRP A 834 1.616 -12.785 0.702 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.220 -12.874 -0.517 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.404 -12.040 0.494 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.470 -12.229 -1.470 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.351 -11.712 -0.876 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.639 -11.615 1.325 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.702 -10.986 -1.429 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.681 -10.895 0.775 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.706 -10.587 -0.590 1.00 0.26 C ATOM 0 H TRP A 834 2.565 -14.503 4.204 1.00 0.17 H new ATOM 0 HA TRP A 834 0.388 -12.910 3.145 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.770 -12.617 2.480 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.755 -14.222 1.777 1.00 0.19 H new ATOM 0 HD1 TRP A 834 3.155 -13.380 -0.706 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.708 -12.149 -2.459 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.629 -11.847 2.380 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.725 -10.747 -2.482 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.490 -10.564 1.409 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.536 -10.022 -0.989 1.00 0.26 H new ATOM 934 N ASN A 835 0.697 -16.128 2.528 1.00 0.18 N ATOM 935 CA ASN A 835 -0.012 -17.299 2.033 1.00 0.20 C ATOM 936 C ASN A 835 -1.204 -17.593 2.930 1.00 0.20 C ATOM 937 O ASN A 835 -2.221 -18.123 2.483 1.00 0.23 O ATOM 938 CB ASN A 835 0.922 -18.511 1.983 1.00 0.23 C ATOM 939 CG ASN A 835 1.674 -18.605 0.670 1.00 1.38 C ATOM 940 OD1 ASN A 835 1.076 -18.793 -0.390 1.00 1.90 O ATOM 941 ND2 ASN A 835 2.993 -18.478 0.735 1.00 1.98 N ATOM 0 H ASN A 835 1.587 -16.334 2.982 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.365 -17.096 1.022 1.00 0.20 H new ATOM 0 HB2 ASN A 835 1.636 -18.451 2.804 1.00 0.23 H new ATOM 0 HB3 ASN A 835 0.341 -19.421 2.132 1.00 0.23 H new ATOM 0 HD21 ASN A 835 3.553 -18.535 -0.115 1.00 1.98 H new ATOM 0 HD22 ASN A 835 3.447 -18.323 1.635 1.00 1.98 H new ATOM 948 N VAL A 836 -1.073 -17.220 4.200 1.00 0.20 N ATOM 949 CA VAL A 836 -2.137 -17.414 5.172 1.00 0.22 C ATOM 950 C VAL A 836 -3.231 -16.383 4.947 1.00 0.22 C ATOM 951 O VAL A 836 -4.401 -16.726 4.773 1.00 0.27 O ATOM 952 CB VAL A 836 -1.616 -17.290 6.618 1.00 0.24 C ATOM 953 CG1 VAL A 836 -2.704 -17.664 7.614 1.00 0.67 C ATOM 954 CG2 VAL A 836 -0.381 -18.154 6.818 1.00 0.62 C ATOM 0 H VAL A 836 -0.234 -16.780 4.578 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.532 -18.421 5.035 1.00 0.22 H new ATOM 0 HB VAL A 836 -1.337 -16.251 6.794 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -2.317 -17.570 8.628 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -3.557 -16.997 7.488 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.019 -18.693 7.440 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -0.028 -18.053 7.844 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -0.631 -19.197 6.621 1.00 0.62 H new ATOM 0 HG23 VAL A 836 0.403 -17.833 6.132 1.00 0.62 H new ATOM 964 N ALA A 837 -2.833 -15.115 4.934 1.00 0.20 N ATOM 965 CA ALA A 837 -3.771 -14.024 4.707 1.00 0.20 C ATOM 966 C ALA A 837 -4.482 -14.202 3.370 1.00 0.20 C ATOM 967 O ALA A 837 -5.627 -13.781 3.203 1.00 0.21 O ATOM 968 CB ALA A 837 -3.050 -12.685 4.752 1.00 0.22 C ATOM 0 H ALA A 837 -1.868 -14.819 5.078 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.518 -14.040 5.500 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -3.765 -11.881 4.581 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.585 -12.555 5.729 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.282 -12.659 3.979 1.00 0.22 H new ATOM 974 N LYS A 838 -3.794 -14.837 2.421 1.00 0.21 N ATOM 975 CA LYS A 838 -4.359 -15.082 1.100 1.00 0.24 C ATOM 976 C LYS A 838 -5.513 -16.075 1.188 1.00 0.24 C ATOM 977 O LYS A 838 -6.571 -15.866 0.596 1.00 0.26 O ATOM 978 CB LYS A 838 -3.281 -15.616 0.155 1.00 0.28 C ATOM 979 CG LYS A 838 -2.696 -14.555 -0.764 1.00 0.38 C ATOM 980 CD LYS A 838 -1.305 -14.936 -1.254 1.00 0.49 C ATOM 981 CE LYS A 838 -1.294 -16.309 -1.906 1.00 0.68 C ATOM 982 NZ LYS A 838 -0.949 -16.237 -3.354 1.00 0.85 N ATOM 0 H LYS A 838 -2.845 -15.190 2.545 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.739 -14.139 0.708 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.478 -16.056 0.746 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -3.705 -16.416 -0.452 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -3.356 -14.411 -1.619 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -2.647 -13.603 -0.235 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -0.954 -14.191 -1.969 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -0.609 -14.926 -0.416 1.00 0.49 H new ATOM 0 HE2 LYS A 838 -0.575 -16.948 -1.393 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -2.273 -16.774 -1.789 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 -0.969 -17.193 -3.764 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -1.640 -15.635 -3.846 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 0.003 -15.833 -3.464 1.00 0.85 H new ATOM 996 N GLU A 839 -5.299 -17.153 1.938 1.00 0.26 N ATOM 997 CA GLU A 839 -6.322 -18.176 2.114 1.00 0.29 C ATOM 998 C GLU A 839 -7.553 -17.583 2.788 1.00 0.27 C ATOM 999 O GLU A 839 -8.669 -18.080 2.625 1.00 0.31 O ATOM 1000 CB GLU A 839 -5.776 -19.337 2.948 1.00 0.34 C ATOM 1001 CG GLU A 839 -5.259 -20.496 2.112 1.00 0.71 C ATOM 1002 CD GLU A 839 -4.139 -21.254 2.798 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -4.410 -21.912 3.824 1.00 1.82 O ATOM 1004 OE2 GLU A 839 -2.992 -21.188 2.309 1.00 1.95 O ATOM 0 H GLU A 839 -4.427 -17.339 2.433 1.00 0.26 H new ATOM 0 HA GLU A 839 -6.606 -18.553 1.132 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -4.970 -18.970 3.583 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -6.563 -19.700 3.610 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -6.080 -21.181 1.900 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -4.903 -20.118 1.154 1.00 0.71 H new ATOM 1011 N MET A 840 -7.337 -16.508 3.538 1.00 0.25 N ATOM 1012 CA MET A 840 -8.419 -15.826 4.235 1.00 0.24 C ATOM 1013 C MET A 840 -9.246 -15.000 3.255 1.00 0.24 C ATOM 1014 O MET A 840 -10.471 -14.928 3.365 1.00 0.27 O ATOM 1015 CB MET A 840 -7.848 -14.930 5.341 1.00 0.24 C ATOM 1016 CG MET A 840 -8.785 -13.813 5.778 1.00 0.26 C ATOM 1017 SD MET A 840 -7.928 -12.498 6.664 1.00 0.30 S ATOM 1018 CE MET A 840 -7.175 -11.610 5.303 1.00 0.27 C ATOM 0 H MET A 840 -6.418 -16.089 3.679 1.00 0.25 H new ATOM 0 HA MET A 840 -9.070 -16.573 4.689 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.607 -15.547 6.206 1.00 0.24 H new ATOM 0 HB3 MET A 840 -6.913 -14.491 4.992 1.00 0.24 H new ATOM 0 HG2 MET A 840 -9.279 -13.394 4.901 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.566 -14.227 6.416 1.00 0.26 H new ATOM 0 HE1 MET A 840 -7.032 -10.567 5.584 1.00 0.27 H new ATOM 0 HE2 MET A 840 -6.210 -12.058 5.066 1.00 0.27 H new ATOM 0 HE3 MET A 840 -7.825 -11.664 4.429 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.566 -14.379 2.296 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.230 -13.558 1.290 1.00 0.24 C ATOM 1030 C LEU A 841 -10.179 -14.400 0.444 1.00 0.24 C ATOM 1031 O LEU A 841 -11.358 -14.076 0.307 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.198 -12.874 0.392 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.498 -11.662 1.011 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.113 -11.481 0.409 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.335 -10.408 0.811 1.00 0.38 C ATOM 0 H LEU A 841 -7.552 -14.429 2.195 1.00 0.22 H new ATOM 0 HA LEU A 841 -9.811 -12.794 1.807 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.441 -13.607 0.112 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -8.692 -12.558 -0.527 1.00 0.26 H new ATOM 0 HG LEU A 841 -7.386 -11.836 2.081 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -5.630 -10.615 0.861 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.514 -12.371 0.600 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.201 -11.327 -0.667 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -7.824 -9.555 1.257 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -8.476 -10.231 -0.255 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.306 -10.539 1.288 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.656 -15.484 -0.119 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.455 -16.376 -0.953 1.00 0.35 C ATOM 1049 C ALA A 842 -11.586 -17.006 -0.152 1.00 0.36 C ATOM 1050 O ALA A 842 -12.592 -17.438 -0.715 1.00 0.49 O ATOM 1051 CB ALA A 842 -9.581 -17.459 -1.554 1.00 0.49 C ATOM 0 H ALA A 842 -8.682 -15.767 -0.013 1.00 0.30 H new ATOM 0 HA ALA A 842 -10.892 -15.783 -1.757 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -10.191 -18.117 -2.173 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -8.804 -17.001 -2.166 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -9.119 -18.039 -0.755 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.415 -17.050 1.165 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.422 -17.624 2.048 1.00 0.42 C ATOM 1059 C GLU A 843 -13.681 -16.763 2.060 1.00 0.53 C ATOM 1060 O GLU A 843 -14.630 -17.045 2.793 1.00 0.69 O ATOM 1061 CB GLU A 843 -11.867 -17.756 3.467 1.00 0.45 C ATOM 1062 CG GLU A 843 -12.398 -18.966 4.218 1.00 0.57 C ATOM 1063 CD GLU A 843 -11.444 -19.452 5.292 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -10.231 -19.549 5.009 1.00 1.68 O ATOM 1065 OE2 GLU A 843 -11.910 -19.734 6.417 1.00 1.36 O ATOM 0 H GLU A 843 -10.588 -16.695 1.644 1.00 0.34 H new ATOM 0 HA GLU A 843 -12.682 -18.614 1.674 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -10.780 -17.817 3.419 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -12.111 -16.854 4.029 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -13.355 -18.714 4.675 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -12.585 -19.774 3.511 1.00 0.57 H new ATOM 1072 N ASN A 844 -13.682 -15.714 1.243 1.00 0.54 N ATOM 1073 CA ASN A 844 -14.825 -14.808 1.157 1.00 0.77 C ATOM 1074 C ASN A 844 -14.865 -14.108 -0.198 1.00 0.81 C ATOM 1075 O ASN A 844 -15.462 -13.041 -0.339 1.00 1.48 O ATOM 1076 CB ASN A 844 -14.771 -13.768 2.279 1.00 0.89 C ATOM 1077 CG ASN A 844 -13.479 -13.828 3.069 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -12.493 -13.177 2.721 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -13.477 -14.611 4.141 1.00 1.05 N ATOM 0 H ASN A 844 -12.904 -15.469 0.630 1.00 0.54 H new ATOM 0 HA ASN A 844 -15.732 -15.402 1.267 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -14.885 -12.772 1.852 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -15.613 -13.923 2.954 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -12.636 -14.691 4.713 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -14.316 -15.133 4.393 1.00 1.05 H new ATOM 1086 N ASN A 845 -14.224 -14.719 -1.192 1.00 0.49 N ATOM 1087 CA ASN A 845 -14.181 -14.161 -2.541 1.00 0.56 C ATOM 1088 C ASN A 845 -13.568 -12.762 -2.541 1.00 0.48 C ATOM 1089 O ASN A 845 -13.758 -11.992 -3.481 1.00 0.57 O ATOM 1090 CB ASN A 845 -15.585 -14.116 -3.147 1.00 0.73 C ATOM 1091 CG ASN A 845 -15.855 -15.295 -4.061 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -15.552 -16.439 -3.725 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -16.428 -15.021 -5.228 1.00 1.97 N ATOM 0 H ASN A 845 -13.726 -15.603 -1.088 1.00 0.49 H new ATOM 0 HA ASN A 845 -13.552 -14.811 -3.149 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -16.324 -14.104 -2.346 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -15.707 -13.189 -3.708 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -16.633 -15.774 -5.885 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -16.663 -14.058 -5.467 1.00 1.97 H new ATOM 1100 N GLU A 846 -12.828 -12.443 -1.483 1.00 0.35 N ATOM 1101 CA GLU A 846 -12.185 -11.139 -1.366 1.00 0.31 C ATOM 1102 C GLU A 846 -10.875 -11.113 -2.149 1.00 0.30 C ATOM 1103 O GLU A 846 -10.198 -12.132 -2.275 1.00 0.49 O ATOM 1104 CB GLU A 846 -11.923 -10.802 0.103 1.00 0.33 C ATOM 1105 CG GLU A 846 -12.893 -9.779 0.674 1.00 0.44 C ATOM 1106 CD GLU A 846 -13.806 -10.370 1.732 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -13.366 -10.492 2.895 1.00 2.30 O ATOM 1108 OE2 GLU A 846 -14.960 -10.708 1.398 1.00 1.69 O ATOM 0 H GLU A 846 -12.659 -13.069 -0.696 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.857 -10.390 -1.785 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -11.983 -11.716 0.693 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -10.906 -10.423 0.205 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -12.330 -8.951 1.106 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -13.498 -9.366 -0.134 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.527 -9.942 -2.673 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.299 -9.788 -3.444 1.00 0.31 C ATOM 1117 C LYS A 847 -8.633 -8.448 -3.148 1.00 0.36 C ATOM 1118 O LYS A 847 -7.699 -8.041 -3.839 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.592 -9.904 -4.941 1.00 0.38 C ATOM 1120 CG LYS A 847 -10.727 -9.008 -5.410 1.00 0.69 C ATOM 1121 CD LYS A 847 -11.524 -9.659 -6.528 1.00 0.97 C ATOM 1122 CE LYS A 847 -13.020 -9.461 -6.333 1.00 1.32 C ATOM 1123 NZ LYS A 847 -13.449 -8.079 -6.685 1.00 1.98 N ATOM 0 H LYS A 847 -11.077 -9.088 -2.578 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.616 -10.585 -3.151 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -8.690 -9.656 -5.500 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -9.837 -10.940 -5.176 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -11.388 -8.787 -4.572 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -10.322 -8.057 -5.756 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -11.222 -9.236 -7.486 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -11.298 -10.725 -6.564 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -13.564 -10.178 -6.948 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -13.281 -9.669 -5.295 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -14.479 -7.996 -6.571 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -12.975 -7.398 -6.058 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -13.193 -7.877 -7.672 1.00 1.98 H new ATOM 1137 N PHE A 848 -9.119 -7.769 -2.115 1.00 0.32 N ATOM 1138 CA PHE A 848 -8.571 -6.476 -1.723 1.00 0.37 C ATOM 1139 C PHE A 848 -7.763 -6.600 -0.436 1.00 0.30 C ATOM 1140 O PHE A 848 -8.256 -7.108 0.572 1.00 0.39 O ATOM 1141 CB PHE A 848 -9.696 -5.457 -1.537 1.00 0.50 C ATOM 1142 CG PHE A 848 -10.594 -5.332 -2.734 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -10.171 -4.654 -3.866 1.00 0.92 C ATOM 1144 CD2 PHE A 848 -11.861 -5.892 -2.724 1.00 0.82 C ATOM 1145 CE1 PHE A 848 -10.997 -4.538 -4.968 1.00 1.09 C ATOM 1146 CE2 PHE A 848 -12.691 -5.778 -3.824 1.00 1.02 C ATOM 1147 CZ PHE A 848 -12.252 -5.102 -4.952 1.00 0.98 C ATOM 0 H PHE A 848 -9.892 -8.093 -1.534 1.00 0.32 H new ATOM 0 HA PHE A 848 -7.908 -6.132 -2.517 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -10.294 -5.742 -0.672 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -9.260 -4.483 -1.316 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -9.186 -4.212 -3.887 1.00 0.92 H new ATOM 0 HD2 PHE A 848 -12.204 -6.423 -1.848 1.00 0.82 H new ATOM 0 HE1 PHE A 848 -10.657 -4.004 -5.843 1.00 1.09 H new ATOM 0 HE2 PHE A 848 -13.679 -6.214 -3.805 1.00 1.02 H new ATOM 0 HZ PHE A 848 -12.894 -5.018 -5.817 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.517 -6.136 -0.477 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.641 -6.201 0.686 1.00 0.23 C ATOM 1159 C LEU A 849 -5.119 -4.815 1.059 1.00 0.24 C ATOM 1160 O LEU A 849 -4.560 -4.106 0.222 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.469 -7.151 0.410 1.00 0.26 C ATOM 1162 CG LEU A 849 -3.988 -7.981 1.607 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -3.120 -7.138 2.525 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -5.167 -8.567 2.373 1.00 0.74 C ATOM 0 H LEU A 849 -6.093 -5.712 -1.302 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.220 -6.582 1.527 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.759 -7.834 -0.389 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.629 -6.564 0.038 1.00 0.26 H new ATOM 0 HG LEU A 849 -3.388 -8.808 1.227 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -2.788 -7.743 3.369 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -2.252 -6.776 1.974 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -3.696 -6.289 2.892 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -4.799 -9.151 3.217 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -5.800 -7.759 2.740 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.747 -9.211 1.712 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.311 -4.438 2.322 1.00 0.23 N ATOM 1177 CA ASN A 850 -4.863 -3.138 2.812 1.00 0.29 C ATOM 1178 C ASN A 850 -3.423 -3.216 3.312 1.00 0.30 C ATOM 1179 O ASN A 850 -2.777 -4.258 3.207 1.00 0.43 O ATOM 1180 CB ASN A 850 -5.779 -2.651 3.937 1.00 0.37 C ATOM 1181 CG ASN A 850 -6.918 -1.791 3.426 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -6.752 -1.016 2.485 1.00 1.52 O ATOM 1183 ND2 ASN A 850 -8.083 -1.921 4.050 1.00 0.92 N ATOM 0 H ASN A 850 -5.774 -5.015 3.024 1.00 0.23 H new ATOM 0 HA ASN A 850 -4.906 -2.429 1.985 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -6.187 -3.511 4.467 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -5.193 -2.081 4.658 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -8.885 -1.366 3.753 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -8.176 -2.576 4.826 1.00 0.92 H new ATOM 1190 N ILE A 851 -2.922 -2.110 3.856 1.00 0.31 N ATOM 1191 CA ILE A 851 -1.557 -2.067 4.367 1.00 0.36 C ATOM 1192 C ILE A 851 -1.485 -1.362 5.716 1.00 0.53 C ATOM 1193 O ILE A 851 -2.507 -0.969 6.277 1.00 0.71 O ATOM 1194 CB ILE A 851 -0.598 -1.367 3.391 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.270 -1.228 2.024 1.00 0.54 C ATOM 1196 CG2 ILE A 851 0.715 -2.139 3.303 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -0.354 -1.452 0.835 1.00 1.04 C ATOM 0 H ILE A 851 -3.439 -1.236 3.954 1.00 0.31 H new ATOM 0 HA ILE A 851 -1.247 -3.106 4.484 1.00 0.36 H new ATOM 0 HB ILE A 851 -0.365 -0.366 3.755 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -2.095 -1.938 1.967 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -1.702 -0.230 1.948 1.00 0.54 H new ATOM 0 HG21 ILE A 851 1.388 -1.635 2.609 1.00 0.53 H new ATOM 0 HG22 ILE A 851 1.178 -2.184 4.289 1.00 0.53 H new ATOM 0 HG23 ILE A 851 0.519 -3.151 2.948 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -0.921 -1.332 -0.088 1.00 1.04 H new ATOM 0 HD12 ILE A 851 0.458 -0.725 0.859 1.00 1.04 H new ATOM 0 HD13 ILE A 851 0.059 -2.460 0.879 1.00 1.04 H new