USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 782 THR OG1 : rot -59:sc= 0.629 USER MOD Set 1.2: A 819 GLN : amide:sc= 0.467 K(o=1,f=0.0038) USER MOD Set 1.3: A 850 ASN : amide:sc= -0.0731 X(o=1,f=1.2) USER MOD Single : A 787 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00486) USER MOD Single : A 790 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.33) USER MOD Single : A 796 MET CE :methyl -111:sc= -0.685 (180deg=-3.43!) USER MOD Single : A 799 ASN : amide:sc= -2.11! K(o=-2.1!,f=-0.0075) USER MOD Single : A 800 SER OG : rot 75:sc= 0.592 USER MOD Single : A 801 LYS NZ :NH3+ -169:sc= -0.0184 (180deg=-0.186) USER MOD Single : A 814 THR OG1 : rot -34:sc= 1.19 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= -0.0712 USER MOD Single : A 830 SER OG : rot -49:sc= 0.355 USER MOD Single : A 835 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 838 LYS NZ :NH3+ -179:sc= -0.832 (180deg=-0.854) USER MOD Single : A 840 MET CE :methyl -119:sc= -0.827 (180deg=-1.34) USER MOD Single : A 844 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.0021) USER MOD Single : A 845 ASN : amide:sc= -0.401 K(o=-0.4,f=-1.8) USER MOD Single : A 847 LYS NZ :NH3+ -116:sc= -0.214 (180deg=-1.66!) USER MOD Single : A 854 TYR OH : rot -140:sc= -1.07 USER MOD ----------------------------------------------------------------- ATOM 14 N GLU A 779 -8.000 -10.251 -1.209 1.00 0.78 N ATOM 15 CA GLU A 779 -6.840 -10.496 -0.341 1.00 0.85 C ATOM 16 C GLU A 779 -5.551 -10.317 -1.112 1.00 0.75 C ATOM 17 O GLU A 779 -4.636 -11.143 -1.070 1.00 1.17 O ATOM 18 CB GLU A 779 -6.903 -11.863 0.345 1.00 1.60 C ATOM 19 CG GLU A 779 -7.109 -13.021 -0.608 1.00 1.95 C ATOM 20 CD GLU A 779 -6.674 -14.342 -0.014 1.00 2.62 C ATOM 21 OE1 GLU A 779 -7.329 -14.820 0.930 1.00 2.92 O ATOM 22 OE2 GLU A 779 -5.637 -14.882 -0.463 1.00 3.25 O ATOM 0 HA GLU A 779 -6.866 -9.753 0.456 1.00 0.85 H new ATOM 0 HB2 GLU A 779 -5.979 -12.023 0.900 1.00 1.60 H new ATOM 0 HB3 GLU A 779 -7.714 -11.856 1.073 1.00 1.60 H new ATOM 0 HG2 GLU A 779 -8.162 -13.079 -0.883 1.00 1.95 H new ATOM 0 HG3 GLU A 779 -6.550 -12.837 -1.525 1.00 1.95 H new ATOM 29 N ILE A 780 -5.533 -9.219 -1.825 1.00 0.62 N ATOM 30 CA ILE A 780 -4.444 -8.836 -2.691 1.00 0.43 C ATOM 31 C ILE A 780 -4.869 -7.614 -3.505 1.00 0.37 C ATOM 32 O ILE A 780 -6.037 -7.476 -3.878 1.00 0.49 O ATOM 33 CB ILE A 780 -4.003 -10.005 -3.622 1.00 0.45 C ATOM 34 CG1 ILE A 780 -2.481 -10.186 -3.574 1.00 0.75 C ATOM 35 CG2 ILE A 780 -4.472 -9.807 -5.060 1.00 0.74 C ATOM 36 CD1 ILE A 780 -1.698 -8.947 -3.955 1.00 0.51 C ATOM 0 H ILE A 780 -6.299 -8.546 -1.819 1.00 0.62 H new ATOM 0 HA ILE A 780 -3.578 -8.586 -2.079 1.00 0.43 H new ATOM 0 HB ILE A 780 -4.481 -10.911 -3.249 1.00 0.45 H new ATOM 0 HG12 ILE A 780 -2.194 -10.489 -2.567 1.00 0.75 H new ATOM 0 HG13 ILE A 780 -2.201 -10.999 -4.244 1.00 0.75 H new ATOM 0 HG21 ILE A 780 -4.140 -10.647 -5.670 1.00 0.74 H new ATOM 0 HG22 ILE A 780 -5.560 -9.749 -5.083 1.00 0.74 H new ATOM 0 HG23 ILE A 780 -4.051 -8.883 -5.456 1.00 0.74 H new ATOM 0 HD11 ILE A 780 -0.630 -9.159 -3.896 1.00 0.51 H new ATOM 0 HD12 ILE A 780 -1.954 -8.654 -4.973 1.00 0.51 H new ATOM 0 HD13 ILE A 780 -1.946 -8.135 -3.271 1.00 0.51 H new ATOM 48 N PHE A 781 -3.947 -6.690 -3.653 1.00 0.28 N ATOM 49 CA PHE A 781 -4.178 -5.433 -4.330 1.00 0.26 C ATOM 50 C PHE A 781 -2.866 -5.020 -4.961 1.00 0.22 C ATOM 51 O PHE A 781 -1.815 -5.420 -4.478 1.00 0.21 O ATOM 52 CB PHE A 781 -4.687 -4.374 -3.339 1.00 0.29 C ATOM 53 CG PHE A 781 -4.932 -3.012 -3.937 1.00 0.34 C ATOM 54 CD1 PHE A 781 -5.518 -2.895 -5.187 1.00 0.41 C ATOM 55 CD2 PHE A 781 -4.574 -1.857 -3.264 1.00 0.37 C ATOM 56 CE1 PHE A 781 -5.749 -1.659 -5.749 1.00 0.50 C ATOM 57 CE2 PHE A 781 -4.804 -0.615 -3.823 1.00 0.44 C ATOM 58 CZ PHE A 781 -5.370 -0.490 -5.010 1.00 0.52 C ATOM 0 H PHE A 781 -2.996 -6.793 -3.299 1.00 0.28 H new ATOM 0 HA PHE A 781 -4.945 -5.535 -5.098 1.00 0.26 H new ATOM 0 HB2 PHE A 781 -5.615 -4.731 -2.893 1.00 0.29 H new ATOM 0 HB3 PHE A 781 -3.962 -4.275 -2.531 1.00 0.29 H new ATOM 0 HD1 PHE A 781 -5.798 -3.786 -5.729 1.00 0.41 H new ATOM 0 HD2 PHE A 781 -4.110 -1.927 -2.291 1.00 0.37 H new ATOM 0 HE1 PHE A 781 -6.205 -1.572 -6.724 1.00 0.50 H new ATOM 0 HE2 PHE A 781 -4.515 0.272 -3.279 1.00 0.44 H new ATOM 0 HZ PHE A 781 -5.547 0.492 -5.424 1.00 0.52 H new ATOM 68 N THR A 782 -2.916 -4.387 -6.108 1.00 0.23 N ATOM 69 CA THR A 782 -1.704 -4.091 -6.840 1.00 0.23 C ATOM 70 C THR A 782 -1.640 -2.608 -7.159 1.00 0.23 C ATOM 71 O THR A 782 -2.650 -1.980 -7.482 1.00 0.25 O ATOM 72 CB THR A 782 -1.626 -4.918 -8.137 1.00 0.29 C ATOM 73 OG1 THR A 782 -1.669 -6.316 -7.818 1.00 1.39 O ATOM 74 CG2 THR A 782 -0.354 -4.609 -8.910 1.00 1.34 C ATOM 0 H THR A 782 -3.776 -4.068 -6.554 1.00 0.23 H new ATOM 0 HA THR A 782 -0.852 -4.360 -6.216 1.00 0.23 H new ATOM 0 HB THR A 782 -2.478 -4.654 -8.763 1.00 0.29 H new ATOM 0 HG1 THR A 782 -0.917 -6.541 -7.231 1.00 1.39 H new ATOM 0 HG21 THR A 782 -0.327 -5.208 -9.820 1.00 1.34 H new ATOM 0 HG22 THR A 782 -0.335 -3.551 -9.171 1.00 1.34 H new ATOM 0 HG23 THR A 782 0.513 -4.847 -8.294 1.00 1.34 H new ATOM 82 N LEU A 783 -0.520 -2.026 -6.782 1.00 0.22 N ATOM 83 CA LEU A 783 -0.377 -0.593 -6.739 1.00 0.21 C ATOM 84 C LEU A 783 1.073 -0.214 -7.008 1.00 0.21 C ATOM 85 O LEU A 783 1.986 -0.936 -6.628 1.00 0.23 O ATOM 86 CB LEU A 783 -0.820 -0.105 -5.358 1.00 0.26 C ATOM 87 CG LEU A 783 -1.031 1.398 -5.208 1.00 0.35 C ATOM 88 CD1 LEU A 783 -2.067 1.899 -6.201 1.00 0.83 C ATOM 89 CD2 LEU A 783 -1.463 1.711 -3.786 1.00 0.61 C ATOM 0 H LEU A 783 0.315 -2.538 -6.497 1.00 0.22 H new ATOM 0 HA LEU A 783 -0.996 -0.124 -7.504 1.00 0.21 H new ATOM 0 HB2 LEU A 783 -1.752 -0.609 -5.100 1.00 0.26 H new ATOM 0 HB3 LEU A 783 -0.074 -0.420 -4.628 1.00 0.26 H new ATOM 0 HG LEU A 783 -0.091 1.909 -5.418 1.00 0.35 H new ATOM 0 HD11 LEU A 783 -2.201 2.973 -6.076 1.00 0.83 H new ATOM 0 HD12 LEU A 783 -1.728 1.691 -7.216 1.00 0.83 H new ATOM 0 HD13 LEU A 783 -3.016 1.392 -6.024 1.00 0.83 H new ATOM 0 HD21 LEU A 783 -1.614 2.785 -3.680 1.00 0.61 H new ATOM 0 HD22 LEU A 783 -2.395 1.190 -3.566 1.00 0.61 H new ATOM 0 HD23 LEU A 783 -0.691 1.382 -3.090 1.00 0.61 H new ATOM 101 N LEU A 784 1.290 0.913 -7.654 1.00 0.20 N ATOM 102 CA LEU A 784 2.643 1.379 -7.909 1.00 0.22 C ATOM 103 C LEU A 784 2.771 2.797 -7.399 1.00 0.21 C ATOM 104 O LEU A 784 1.934 3.647 -7.702 1.00 0.23 O ATOM 105 CB LEU A 784 2.995 1.331 -9.403 1.00 0.29 C ATOM 106 CG LEU A 784 3.500 -0.019 -9.931 1.00 0.91 C ATOM 107 CD1 LEU A 784 2.367 -1.023 -10.044 1.00 1.53 C ATOM 108 CD2 LEU A 784 4.185 0.164 -11.277 1.00 1.45 C ATOM 0 H LEU A 784 0.554 1.522 -8.011 1.00 0.20 H new ATOM 0 HA LEU A 784 3.338 0.719 -7.390 1.00 0.22 H new ATOM 0 HB2 LEU A 784 2.111 1.614 -9.974 1.00 0.29 H new ATOM 0 HB3 LEU A 784 3.757 2.085 -9.601 1.00 0.29 H new ATOM 0 HG LEU A 784 4.225 -0.411 -9.218 1.00 0.91 H new ATOM 0 HD11 LEU A 784 2.756 -1.969 -10.421 1.00 1.53 H new ATOM 0 HD12 LEU A 784 1.920 -1.179 -9.062 1.00 1.53 H new ATOM 0 HD13 LEU A 784 1.611 -0.642 -10.731 1.00 1.53 H new ATOM 0 HD21 LEU A 784 4.538 -0.801 -11.640 1.00 1.45 H new ATOM 0 HD22 LEU A 784 3.477 0.583 -11.992 1.00 1.45 H new ATOM 0 HD23 LEU A 784 5.032 0.841 -11.165 1.00 1.45 H new ATOM 120 N VAL A 785 3.705 2.996 -6.482 1.00 0.22 N ATOM 121 CA VAL A 785 3.826 4.268 -5.800 1.00 0.25 C ATOM 122 C VAL A 785 4.270 5.360 -6.779 1.00 0.34 C ATOM 123 O VAL A 785 5.275 5.223 -7.479 1.00 0.79 O ATOM 124 CB VAL A 785 4.767 4.159 -4.572 1.00 0.28 C ATOM 125 CG1 VAL A 785 6.232 4.140 -4.957 1.00 0.95 C ATOM 126 CG2 VAL A 785 4.481 5.269 -3.590 1.00 1.10 C ATOM 0 H VAL A 785 4.387 2.293 -6.196 1.00 0.22 H new ATOM 0 HA VAL A 785 2.846 4.552 -5.417 1.00 0.25 H new ATOM 0 HB VAL A 785 4.561 3.201 -4.095 1.00 0.28 H new ATOM 0 HG11 VAL A 785 6.843 4.063 -4.058 1.00 0.95 H new ATOM 0 HG12 VAL A 785 6.427 3.284 -5.603 1.00 0.95 H new ATOM 0 HG13 VAL A 785 6.481 5.059 -5.487 1.00 0.95 H new ATOM 0 HG21 VAL A 785 5.150 5.179 -2.734 1.00 1.10 H new ATOM 0 HG22 VAL A 785 4.639 6.233 -4.074 1.00 1.10 H new ATOM 0 HG23 VAL A 785 3.447 5.198 -3.252 1.00 1.10 H new ATOM 136 N GLU A 786 3.359 6.288 -7.029 1.00 0.69 N ATOM 137 CA GLU A 786 3.516 7.229 -8.125 1.00 0.81 C ATOM 138 C GLU A 786 4.305 8.468 -7.718 1.00 0.87 C ATOM 139 O GLU A 786 5.211 8.893 -8.434 1.00 1.56 O ATOM 140 CB GLU A 786 2.141 7.628 -8.658 1.00 0.99 C ATOM 141 CG GLU A 786 1.353 6.451 -9.206 1.00 1.51 C ATOM 142 CD GLU A 786 -0.032 6.833 -9.678 1.00 2.26 C ATOM 143 OE1 GLU A 786 -0.144 7.731 -10.539 1.00 2.59 O ATOM 144 OE2 GLU A 786 -1.016 6.261 -9.168 1.00 3.06 O ATOM 0 H GLU A 786 2.503 6.409 -6.487 1.00 0.69 H new ATOM 0 HA GLU A 786 4.088 6.732 -8.909 1.00 0.81 H new ATOM 0 HB2 GLU A 786 1.570 8.100 -7.858 1.00 0.99 H new ATOM 0 HB3 GLU A 786 2.264 8.373 -9.444 1.00 0.99 H new ATOM 0 HG2 GLU A 786 1.904 6.007 -10.036 1.00 1.51 H new ATOM 0 HG3 GLU A 786 1.269 5.686 -8.434 1.00 1.51 H new ATOM 151 N LYS A 787 3.930 9.082 -6.606 1.00 0.91 N ATOM 152 CA LYS A 787 4.588 10.307 -6.168 1.00 1.01 C ATOM 153 C LYS A 787 5.075 10.179 -4.733 1.00 0.96 C ATOM 154 O LYS A 787 4.921 11.103 -3.940 1.00 1.58 O ATOM 155 CB LYS A 787 3.654 11.521 -6.299 1.00 1.17 C ATOM 156 CG LYS A 787 3.260 11.856 -7.733 1.00 1.21 C ATOM 157 CD LYS A 787 2.010 11.109 -8.165 1.00 1.35 C ATOM 158 CE LYS A 787 0.756 11.711 -7.552 1.00 1.27 C ATOM 159 NZ LYS A 787 0.346 12.965 -8.241 1.00 1.80 N ATOM 0 H LYS A 787 3.181 8.757 -5.994 1.00 0.91 H new ATOM 0 HA LYS A 787 5.449 10.464 -6.818 1.00 1.01 H new ATOM 0 HB2 LYS A 787 2.750 11.333 -5.720 1.00 1.17 H new ATOM 0 HB3 LYS A 787 4.141 12.389 -5.856 1.00 1.17 H new ATOM 0 HG2 LYS A 787 3.091 12.929 -7.822 1.00 1.21 H new ATOM 0 HG3 LYS A 787 4.082 11.606 -8.403 1.00 1.21 H new ATOM 0 HD2 LYS A 787 1.930 11.131 -9.252 1.00 1.35 H new ATOM 0 HD3 LYS A 787 2.092 10.062 -7.872 1.00 1.35 H new ATOM 0 HE2 LYS A 787 -0.057 10.986 -7.604 1.00 1.27 H new ATOM 0 HE3 LYS A 787 0.932 11.918 -6.496 1.00 1.27 H new ATOM 0 HZ1 LYS A 787 -0.541 13.315 -7.826 1.00 1.80 H new ATOM 0 HZ2 LYS A 787 1.090 13.683 -8.127 1.00 1.80 H new ATOM 0 HZ3 LYS A 787 0.202 12.774 -9.253 1.00 1.80 H new ATOM 173 N VAL A 788 5.700 9.041 -4.433 1.00 0.66 N ATOM 174 CA VAL A 788 6.293 8.753 -3.118 1.00 0.61 C ATOM 175 C VAL A 788 5.229 8.511 -2.030 1.00 0.70 C ATOM 176 O VAL A 788 5.349 7.558 -1.259 1.00 1.70 O ATOM 177 CB VAL A 788 7.317 9.839 -2.677 1.00 0.70 C ATOM 178 CG1 VAL A 788 6.736 10.832 -1.682 1.00 0.87 C ATOM 179 CG2 VAL A 788 8.553 9.184 -2.094 1.00 1.21 C ATOM 0 H VAL A 788 5.813 8.280 -5.102 1.00 0.66 H new ATOM 0 HA VAL A 788 6.845 7.821 -3.239 1.00 0.61 H new ATOM 0 HB VAL A 788 7.582 10.404 -3.571 1.00 0.70 H new ATOM 0 HG11 VAL A 788 7.497 11.564 -1.412 1.00 0.87 H new ATOM 0 HG12 VAL A 788 5.885 11.343 -2.132 1.00 0.87 H new ATOM 0 HG13 VAL A 788 6.409 10.302 -0.787 1.00 0.87 H new ATOM 0 HG21 VAL A 788 9.263 9.953 -1.789 1.00 1.21 H new ATOM 0 HG22 VAL A 788 8.273 8.584 -1.228 1.00 1.21 H new ATOM 0 HG23 VAL A 788 9.014 8.543 -2.845 1.00 1.21 H new ATOM 189 N TRP A 789 4.167 9.320 -2.032 1.00 0.50 N ATOM 190 CA TRP A 789 3.025 9.161 -1.124 1.00 0.33 C ATOM 191 C TRP A 789 3.405 9.279 0.353 1.00 0.29 C ATOM 192 O TRP A 789 4.025 8.380 0.930 1.00 0.34 O ATOM 193 CB TRP A 789 2.334 7.820 -1.365 1.00 0.32 C ATOM 194 CG TRP A 789 1.673 7.712 -2.703 1.00 0.34 C ATOM 195 CD1 TRP A 789 1.332 8.729 -3.548 1.00 0.39 C ATOM 196 CD2 TRP A 789 1.291 6.506 -3.357 1.00 0.34 C ATOM 197 NE1 TRP A 789 0.741 8.223 -4.677 1.00 0.42 N ATOM 198 CE2 TRP A 789 0.713 6.861 -4.586 1.00 0.39 C ATOM 199 CE3 TRP A 789 1.379 5.159 -3.018 1.00 0.34 C ATOM 200 CZ2 TRP A 789 0.230 5.915 -5.476 1.00 0.44 C ATOM 201 CZ3 TRP A 789 0.906 4.222 -3.903 1.00 0.40 C ATOM 202 CH2 TRP A 789 0.339 4.602 -5.120 1.00 0.44 C ATOM 0 H TRP A 789 4.073 10.111 -2.669 1.00 0.50 H new ATOM 0 HA TRP A 789 2.344 9.982 -1.348 1.00 0.33 H new ATOM 0 HB2 TRP A 789 3.069 7.021 -1.268 1.00 0.32 H new ATOM 0 HB3 TRP A 789 1.587 7.662 -0.587 1.00 0.32 H new ATOM 0 HD1 TRP A 789 1.503 9.778 -3.355 1.00 0.39 H new ATOM 0 HE1 TRP A 789 0.381 8.774 -5.457 1.00 0.42 H new ATOM 0 HE3 TRP A 789 1.812 4.856 -2.076 1.00 0.34 H new ATOM 0 HZ2 TRP A 789 -0.216 6.206 -6.416 1.00 0.44 H new ATOM 0 HZ3 TRP A 789 0.974 3.174 -3.653 1.00 0.40 H new ATOM 0 HH2 TRP A 789 -0.022 3.840 -5.795 1.00 0.44 H new ATOM 213 N ASN A 790 2.870 10.305 1.000 1.00 0.29 N ATOM 214 CA ASN A 790 3.033 10.487 2.444 1.00 0.32 C ATOM 215 C ASN A 790 1.982 9.667 3.212 1.00 0.37 C ATOM 216 O ASN A 790 1.336 10.164 4.136 1.00 0.82 O ATOM 217 CB ASN A 790 2.925 11.979 2.784 1.00 0.39 C ATOM 218 CG ASN A 790 3.205 12.313 4.246 1.00 1.20 C ATOM 219 OD1 ASN A 790 2.768 13.350 4.746 1.00 2.06 O ATOM 220 ND2 ASN A 790 3.971 11.479 4.931 1.00 1.79 N ATOM 0 H ASN A 790 2.315 11.031 0.548 1.00 0.29 H new ATOM 0 HA ASN A 790 4.017 10.128 2.746 1.00 0.32 H new ATOM 0 HB2 ASN A 790 3.623 12.534 2.157 1.00 0.39 H new ATOM 0 HB3 ASN A 790 1.923 12.326 2.530 1.00 0.39 H new ATOM 0 HD21 ASN A 790 4.214 11.688 5.899 1.00 1.79 H new ATOM 0 HD22 ASN A 790 4.319 10.627 4.491 1.00 1.79 H new ATOM 227 N PHE A 791 1.804 8.414 2.783 1.00 0.30 N ATOM 228 CA PHE A 791 0.842 7.465 3.374 1.00 0.25 C ATOM 229 C PHE A 791 -0.606 7.865 3.108 1.00 0.23 C ATOM 230 O PHE A 791 -1.359 7.088 2.541 1.00 0.21 O ATOM 231 CB PHE A 791 1.063 7.290 4.877 1.00 0.28 C ATOM 232 CG PHE A 791 0.145 6.276 5.503 1.00 0.30 C ATOM 233 CD1 PHE A 791 0.148 4.959 5.073 1.00 0.30 C ATOM 234 CD2 PHE A 791 -0.719 6.641 6.524 1.00 0.42 C ATOM 235 CE1 PHE A 791 -0.692 4.026 5.648 1.00 0.36 C ATOM 236 CE2 PHE A 791 -1.562 5.713 7.102 1.00 0.47 C ATOM 237 CZ PHE A 791 -1.553 4.402 6.657 1.00 0.42 C ATOM 0 H PHE A 791 2.330 8.020 2.003 1.00 0.30 H new ATOM 0 HA PHE A 791 1.026 6.510 2.882 1.00 0.25 H new ATOM 0 HB2 PHE A 791 2.096 6.990 5.052 1.00 0.28 H new ATOM 0 HB3 PHE A 791 0.922 8.251 5.372 1.00 0.28 H new ATOM 0 HD1 PHE A 791 0.815 4.659 4.279 1.00 0.30 H new ATOM 0 HD2 PHE A 791 -0.733 7.664 6.871 1.00 0.42 H new ATOM 0 HE1 PHE A 791 -0.675 3.001 5.307 1.00 0.36 H new ATOM 0 HE2 PHE A 791 -2.227 6.009 7.900 1.00 0.47 H new ATOM 0 HZ PHE A 791 -2.219 3.676 7.099 1.00 0.42 H new ATOM 247 N ASP A 792 -0.974 9.089 3.462 1.00 0.26 N ATOM 248 CA ASP A 792 -2.318 9.600 3.196 1.00 0.29 C ATOM 249 C ASP A 792 -2.600 9.549 1.700 1.00 0.25 C ATOM 250 O ASP A 792 -3.685 9.167 1.264 1.00 0.26 O ATOM 251 CB ASP A 792 -2.446 11.038 3.704 1.00 0.38 C ATOM 252 CG ASP A 792 -3.783 11.662 3.357 1.00 1.13 C ATOM 253 OD1 ASP A 792 -4.822 11.143 3.810 1.00 1.74 O ATOM 254 OD2 ASP A 792 -3.804 12.668 2.619 1.00 1.86 O ATOM 0 H ASP A 792 -0.360 9.751 3.936 1.00 0.26 H new ATOM 0 HA ASP A 792 -3.044 8.978 3.719 1.00 0.29 H new ATOM 0 HB2 ASP A 792 -2.313 11.050 4.786 1.00 0.38 H new ATOM 0 HB3 ASP A 792 -1.645 11.643 3.278 1.00 0.38 H new ATOM 259 N ASP A 793 -1.564 9.841 0.931 1.00 0.24 N ATOM 260 CA ASP A 793 -1.617 9.769 -0.526 1.00 0.23 C ATOM 261 C ASP A 793 -1.842 8.330 -0.974 1.00 0.19 C ATOM 262 O ASP A 793 -2.715 8.040 -1.790 1.00 0.18 O ATOM 263 CB ASP A 793 -0.299 10.267 -1.114 1.00 0.28 C ATOM 264 CG ASP A 793 0.101 11.644 -0.628 1.00 0.75 C ATOM 265 OD1 ASP A 793 -0.774 12.412 -0.184 1.00 1.16 O ATOM 266 OD2 ASP A 793 1.304 11.964 -0.689 1.00 1.36 O ATOM 0 H ASP A 793 -0.659 10.136 1.297 1.00 0.24 H new ATOM 0 HA ASP A 793 -2.440 10.392 -0.875 1.00 0.23 H new ATOM 0 HB2 ASP A 793 0.491 9.559 -0.864 1.00 0.28 H new ATOM 0 HB3 ASP A 793 -0.379 10.284 -2.201 1.00 0.28 H new ATOM 271 N LEU A 794 -1.077 7.431 -0.373 1.00 0.18 N ATOM 272 CA LEU A 794 -1.189 6.005 -0.634 1.00 0.17 C ATOM 273 C LEU A 794 -2.580 5.498 -0.235 1.00 0.16 C ATOM 274 O LEU A 794 -3.219 4.766 -0.988 1.00 0.16 O ATOM 275 CB LEU A 794 -0.057 5.274 0.121 1.00 0.19 C ATOM 276 CG LEU A 794 -0.351 3.842 0.575 1.00 0.19 C ATOM 277 CD1 LEU A 794 -0.418 2.900 -0.613 1.00 0.22 C ATOM 278 CD2 LEU A 794 0.702 3.369 1.567 1.00 0.22 C ATOM 0 H LEU A 794 -0.359 7.671 0.311 1.00 0.18 H new ATOM 0 HA LEU A 794 -1.077 5.802 -1.699 1.00 0.17 H new ATOM 0 HB2 LEU A 794 0.824 5.254 -0.521 1.00 0.19 H new ATOM 0 HB3 LEU A 794 0.203 5.864 1.000 1.00 0.19 H new ATOM 0 HG LEU A 794 -1.322 3.837 1.070 1.00 0.19 H new ATOM 0 HD11 LEU A 794 -0.628 1.889 -0.264 1.00 0.22 H new ATOM 0 HD12 LEU A 794 -1.210 3.223 -1.289 1.00 0.22 H new ATOM 0 HD13 LEU A 794 0.536 2.911 -1.140 1.00 0.22 H new ATOM 0 HD21 LEU A 794 0.476 2.349 1.878 1.00 0.22 H new ATOM 0 HD22 LEU A 794 1.684 3.395 1.095 1.00 0.22 H new ATOM 0 HD23 LEU A 794 0.701 4.023 2.439 1.00 0.22 H new ATOM 290 N ILE A 795 -3.078 5.978 0.900 1.00 0.18 N ATOM 291 CA ILE A 795 -4.414 5.628 1.378 1.00 0.20 C ATOM 292 C ILE A 795 -5.497 6.051 0.390 1.00 0.19 C ATOM 293 O ILE A 795 -6.335 5.238 0.002 1.00 0.20 O ATOM 294 CB ILE A 795 -4.704 6.266 2.759 1.00 0.28 C ATOM 295 CG1 ILE A 795 -3.881 5.578 3.854 1.00 0.51 C ATOM 296 CG2 ILE A 795 -6.190 6.212 3.089 1.00 0.51 C ATOM 297 CD1 ILE A 795 -4.156 4.093 3.983 1.00 0.48 C ATOM 0 H ILE A 795 -2.571 6.617 1.513 1.00 0.18 H new ATOM 0 HA ILE A 795 -4.434 4.542 1.475 1.00 0.20 H new ATOM 0 HB ILE A 795 -4.410 7.315 2.713 1.00 0.28 H new ATOM 0 HG12 ILE A 795 -2.821 5.725 3.646 1.00 0.51 H new ATOM 0 HG13 ILE A 795 -4.088 6.061 4.809 1.00 0.51 H new ATOM 0 HG21 ILE A 795 -6.363 6.667 4.064 1.00 0.51 H new ATOM 0 HG22 ILE A 795 -6.751 6.757 2.330 1.00 0.51 H new ATOM 0 HG23 ILE A 795 -6.521 5.174 3.110 1.00 0.51 H new ATOM 0 HD11 ILE A 795 -3.537 3.676 4.777 1.00 0.48 H new ATOM 0 HD12 ILE A 795 -5.208 3.937 4.223 1.00 0.48 H new ATOM 0 HD13 ILE A 795 -3.921 3.596 3.042 1.00 0.48 H new ATOM 309 N MET A 796 -5.498 7.324 0.003 1.00 0.22 N ATOM 310 CA MET A 796 -6.522 7.837 -0.904 1.00 0.26 C ATOM 311 C MET A 796 -6.451 7.126 -2.254 1.00 0.22 C ATOM 312 O MET A 796 -7.483 6.808 -2.850 1.00 0.23 O ATOM 313 CB MET A 796 -6.416 9.359 -1.071 1.00 0.38 C ATOM 314 CG MET A 796 -5.159 9.826 -1.782 1.00 0.93 C ATOM 315 SD MET A 796 -5.056 11.620 -1.899 1.00 2.03 S ATOM 316 CE MET A 796 -3.512 11.794 -2.789 1.00 2.69 C ATOM 0 H MET A 796 -4.808 8.014 0.300 1.00 0.22 H new ATOM 0 HA MET A 796 -7.496 7.628 -0.461 1.00 0.26 H new ATOM 0 HB2 MET A 796 -7.285 9.713 -1.626 1.00 0.38 H new ATOM 0 HB3 MET A 796 -6.456 9.824 -0.086 1.00 0.38 H new ATOM 0 HG2 MET A 796 -4.285 9.449 -1.251 1.00 0.93 H new ATOM 0 HG3 MET A 796 -5.132 9.398 -2.784 1.00 0.93 H new ATOM 0 HE1 MET A 796 -2.758 12.223 -2.129 1.00 2.69 H new ATOM 0 HE2 MET A 796 -3.179 10.815 -3.134 1.00 2.69 H new ATOM 0 HE3 MET A 796 -3.658 12.450 -3.647 1.00 2.69 H new ATOM 326 N ALA A 797 -5.231 6.809 -2.694 1.00 0.21 N ATOM 327 CA ALA A 797 -5.032 6.049 -3.923 1.00 0.22 C ATOM 328 C ALA A 797 -5.678 4.674 -3.804 1.00 0.21 C ATOM 329 O ALA A 797 -6.451 4.266 -4.672 1.00 0.26 O ATOM 330 CB ALA A 797 -3.549 5.908 -4.233 1.00 0.27 C ATOM 0 H ALA A 797 -4.368 7.068 -2.215 1.00 0.21 H new ATOM 0 HA ALA A 797 -5.505 6.590 -4.742 1.00 0.22 H new ATOM 0 HB1 ALA A 797 -3.422 5.338 -5.153 1.00 0.27 H new ATOM 0 HB2 ALA A 797 -3.107 6.897 -4.355 1.00 0.27 H new ATOM 0 HB3 ALA A 797 -3.054 5.388 -3.413 1.00 0.27 H new ATOM 336 N ILE A 798 -5.433 4.016 -2.673 1.00 0.20 N ATOM 337 CA ILE A 798 -6.050 2.730 -2.371 1.00 0.26 C ATOM 338 C ILE A 798 -7.571 2.854 -2.340 1.00 0.27 C ATOM 339 O ILE A 798 -8.284 2.050 -2.940 1.00 0.33 O ATOM 340 CB ILE A 798 -5.569 2.177 -1.007 1.00 0.31 C ATOM 341 CG1 ILE A 798 -4.082 1.830 -1.057 1.00 0.32 C ATOM 342 CG2 ILE A 798 -6.376 0.952 -0.610 1.00 0.43 C ATOM 343 CD1 ILE A 798 -3.531 1.322 0.261 1.00 0.67 C ATOM 0 H ILE A 798 -4.805 4.358 -1.945 1.00 0.20 H new ATOM 0 HA ILE A 798 -5.751 2.040 -3.161 1.00 0.26 H new ATOM 0 HB ILE A 798 -5.720 2.954 -0.257 1.00 0.31 H new ATOM 0 HG12 ILE A 798 -3.920 1.073 -1.824 1.00 0.32 H new ATOM 0 HG13 ILE A 798 -3.521 2.715 -1.358 1.00 0.32 H new ATOM 0 HG21 ILE A 798 -6.022 0.579 0.351 1.00 0.43 H new ATOM 0 HG22 ILE A 798 -7.429 1.221 -0.530 1.00 0.43 H new ATOM 0 HG23 ILE A 798 -6.256 0.176 -1.367 1.00 0.43 H new ATOM 0 HD11 ILE A 798 -2.471 1.096 0.149 1.00 0.67 H new ATOM 0 HD12 ILE A 798 -3.660 2.086 1.028 1.00 0.67 H new ATOM 0 HD13 ILE A 798 -4.065 0.419 0.555 1.00 0.67 H new ATOM 355 N ASN A 799 -8.053 3.854 -1.613 1.00 0.27 N ATOM 356 CA ASN A 799 -9.485 4.069 -1.443 1.00 0.33 C ATOM 357 C ASN A 799 -10.183 4.246 -2.781 1.00 0.31 C ATOM 358 O ASN A 799 -11.226 3.644 -3.030 1.00 0.40 O ATOM 359 CB ASN A 799 -9.746 5.299 -0.569 1.00 0.40 C ATOM 360 CG ASN A 799 -9.383 5.093 0.890 1.00 0.55 C ATOM 361 OD1 ASN A 799 -9.459 6.022 1.689 1.00 1.21 O ATOM 362 ND2 ASN A 799 -8.994 3.880 1.254 1.00 0.70 N ATOM 0 H ASN A 799 -7.468 4.534 -1.128 1.00 0.27 H new ATOM 0 HA ASN A 799 -9.889 3.183 -0.954 1.00 0.33 H new ATOM 0 HB2 ASN A 799 -9.176 6.141 -0.961 1.00 0.40 H new ATOM 0 HB3 ASN A 799 -10.800 5.567 -0.639 1.00 0.40 H new ATOM 0 HD21 ASN A 799 -8.746 3.694 2.226 1.00 0.70 H new ATOM 0 HD22 ASN A 799 -8.943 3.132 0.563 1.00 0.70 H new ATOM 369 N SER A 800 -9.624 5.099 -3.623 1.00 0.30 N ATOM 370 CA SER A 800 -10.213 5.389 -4.921 1.00 0.35 C ATOM 371 C SER A 800 -10.135 4.176 -5.848 1.00 0.33 C ATOM 372 O SER A 800 -11.076 3.884 -6.590 1.00 0.41 O ATOM 373 CB SER A 800 -9.502 6.586 -5.558 1.00 0.44 C ATOM 374 OG SER A 800 -9.545 7.718 -4.702 1.00 1.29 O ATOM 0 H SER A 800 -8.760 5.605 -3.430 1.00 0.30 H new ATOM 0 HA SER A 800 -11.265 5.630 -4.772 1.00 0.35 H new ATOM 0 HB2 SER A 800 -8.465 6.326 -5.771 1.00 0.44 H new ATOM 0 HB3 SER A 800 -9.973 6.828 -6.511 1.00 0.44 H new ATOM 0 HG SER A 800 -8.907 7.597 -3.968 1.00 1.29 H new ATOM 380 N LYS A 801 -8.979 3.522 -5.857 1.00 0.29 N ATOM 381 CA LYS A 801 -8.736 2.415 -6.769 1.00 0.36 C ATOM 382 C LYS A 801 -9.598 1.200 -6.420 1.00 0.43 C ATOM 383 O LYS A 801 -10.262 0.643 -7.295 1.00 0.58 O ATOM 384 CB LYS A 801 -7.256 2.049 -6.766 1.00 0.43 C ATOM 385 CG LYS A 801 -6.789 1.371 -8.045 1.00 0.86 C ATOM 386 CD LYS A 801 -5.281 1.179 -8.050 1.00 1.06 C ATOM 387 CE LYS A 801 -4.794 0.548 -9.346 1.00 1.13 C ATOM 388 NZ LYS A 801 -5.397 -0.790 -9.576 1.00 1.95 N ATOM 0 H LYS A 801 -8.196 3.741 -5.242 1.00 0.29 H new ATOM 0 HA LYS A 801 -9.017 2.735 -7.772 1.00 0.36 H new ATOM 0 HB2 LYS A 801 -6.668 2.953 -6.610 1.00 0.43 H new ATOM 0 HB3 LYS A 801 -7.056 1.389 -5.922 1.00 0.43 H new ATOM 0 HG2 LYS A 801 -7.281 0.404 -8.147 1.00 0.86 H new ATOM 0 HG3 LYS A 801 -7.084 1.971 -8.906 1.00 0.86 H new ATOM 0 HD2 LYS A 801 -4.792 2.143 -7.909 1.00 1.06 H new ATOM 0 HD3 LYS A 801 -4.992 0.549 -7.209 1.00 1.06 H new ATOM 0 HE2 LYS A 801 -5.037 1.204 -10.182 1.00 1.13 H new ATOM 0 HE3 LYS A 801 -3.708 0.456 -9.319 1.00 1.13 H new ATOM 0 HZ1 LYS A 801 -4.905 -1.262 -10.362 1.00 1.95 H new ATOM 0 HZ2 LYS A 801 -5.305 -1.365 -8.714 1.00 1.95 H new ATOM 0 HZ3 LYS A 801 -6.404 -0.681 -9.813 1.00 1.95 H new ATOM 402 N ILE A 802 -9.638 0.821 -5.140 1.00 0.39 N ATOM 403 CA ILE A 802 -10.480 -0.297 -4.718 1.00 0.52 C ATOM 404 C ILE A 802 -11.935 0.147 -4.611 1.00 0.70 C ATOM 405 O ILE A 802 -12.447 0.432 -3.522 1.00 1.56 O ATOM 406 CB ILE A 802 -10.060 -0.925 -3.374 1.00 0.54 C ATOM 407 CG1 ILE A 802 -8.541 -1.095 -3.276 1.00 0.64 C ATOM 408 CG2 ILE A 802 -10.745 -2.274 -3.235 1.00 0.71 C ATOM 409 CD1 ILE A 802 -8.089 -1.733 -1.979 1.00 0.71 C ATOM 0 H ILE A 802 -9.106 1.264 -4.391 1.00 0.39 H new ATOM 0 HA ILE A 802 -10.356 -1.060 -5.486 1.00 0.52 H new ATOM 0 HB ILE A 802 -10.363 -0.258 -2.567 1.00 0.54 H new ATOM 0 HG12 ILE A 802 -8.197 -1.705 -4.111 1.00 0.64 H new ATOM 0 HG13 ILE A 802 -8.066 -0.119 -3.377 1.00 0.64 H new ATOM 0 HG21 ILE A 802 -10.458 -2.732 -2.288 1.00 0.71 H new ATOM 0 HG22 ILE A 802 -11.826 -2.137 -3.259 1.00 0.71 H new ATOM 0 HG23 ILE A 802 -10.443 -2.922 -4.058 1.00 0.71 H new ATOM 0 HD11 ILE A 802 -7.003 -1.823 -1.977 1.00 0.71 H new ATOM 0 HD12 ILE A 802 -8.403 -1.113 -1.140 1.00 0.71 H new ATOM 0 HD13 ILE A 802 -8.535 -2.723 -1.886 1.00 0.71 H new ATOM 550 N PRO A 812 -8.986 1.519 4.317 1.00 0.88 N ATOM 551 CA PRO A 812 -8.975 0.134 3.857 1.00 0.80 C ATOM 552 C PRO A 812 -8.811 -0.850 5.012 1.00 0.77 C ATOM 553 O PRO A 812 -7.832 -1.592 5.071 1.00 0.82 O ATOM 554 CB PRO A 812 -7.766 0.069 2.902 1.00 0.77 C ATOM 555 CG PRO A 812 -7.181 1.449 2.872 1.00 0.75 C ATOM 556 CD PRO A 812 -7.699 2.167 4.085 1.00 0.82 C ATOM 0 HA PRO A 812 -9.913 -0.144 3.377 1.00 0.80 H new ATOM 0 HB2 PRO A 812 -7.032 -0.657 3.252 1.00 0.77 H new ATOM 0 HB3 PRO A 812 -8.074 -0.245 1.905 1.00 0.77 H new ATOM 0 HG2 PRO A 812 -6.092 1.407 2.883 1.00 0.75 H new ATOM 0 HG3 PRO A 812 -7.471 1.972 1.960 1.00 0.75 H new ATOM 0 HD2 PRO A 812 -7.030 2.055 4.938 1.00 0.82 H new ATOM 0 HD3 PRO A 812 -7.811 3.236 3.906 1.00 0.82 H new ATOM 564 N ILE A 813 -9.750 -0.797 5.964 1.00 0.87 N ATOM 565 CA ILE A 813 -9.753 -1.667 7.153 1.00 0.96 C ATOM 566 C ILE A 813 -8.664 -1.258 8.156 1.00 0.96 C ATOM 567 O ILE A 813 -8.652 -1.741 9.285 1.00 1.64 O ATOM 568 CB ILE A 813 -9.569 -3.172 6.790 1.00 1.06 C ATOM 569 CG1 ILE A 813 -10.447 -3.562 5.593 1.00 1.46 C ATOM 570 CG2 ILE A 813 -9.902 -4.064 7.984 1.00 1.22 C ATOM 571 CD1 ILE A 813 -11.932 -3.402 5.841 1.00 1.67 C ATOM 0 H ILE A 813 -10.535 -0.147 5.934 1.00 0.87 H new ATOM 0 HA ILE A 813 -10.734 -1.539 7.611 1.00 0.96 H new ATOM 0 HB ILE A 813 -8.523 -3.318 6.520 1.00 1.06 H new ATOM 0 HG12 ILE A 813 -10.165 -2.953 4.734 1.00 1.46 H new ATOM 0 HG13 ILE A 813 -10.243 -4.600 5.328 1.00 1.46 H new ATOM 0 HG21 ILE A 813 -9.766 -5.109 7.706 1.00 1.22 H new ATOM 0 HG22 ILE A 813 -9.241 -3.821 8.816 1.00 1.22 H new ATOM 0 HG23 ILE A 813 -10.937 -3.900 8.283 1.00 1.22 H new ATOM 0 HD11 ILE A 813 -12.484 -3.698 4.949 1.00 1.67 H new ATOM 0 HD12 ILE A 813 -12.231 -4.033 6.678 1.00 1.67 H new ATOM 0 HD13 ILE A 813 -12.152 -2.360 6.075 1.00 1.67 H new ATOM 583 N THR A 814 -7.682 -0.484 7.676 1.00 0.83 N ATOM 584 CA THR A 814 -6.471 -0.099 8.430 1.00 0.84 C ATOM 585 C THR A 814 -5.531 -1.294 8.592 1.00 0.71 C ATOM 586 O THR A 814 -4.335 -1.138 8.833 1.00 1.08 O ATOM 587 CB THR A 814 -6.755 0.544 9.821 1.00 1.10 C ATOM 588 OG1 THR A 814 -7.132 -0.442 10.789 1.00 1.03 O ATOM 589 CG2 THR A 814 -7.847 1.598 9.723 1.00 1.90 C ATOM 0 H THR A 814 -7.703 -0.097 6.732 1.00 0.83 H new ATOM 0 HA THR A 814 -5.995 0.676 7.829 1.00 0.84 H new ATOM 0 HB THR A 814 -5.829 1.017 10.147 1.00 1.10 H new ATOM 0 HG1 THR A 814 -7.639 -1.156 10.349 1.00 1.03 H new ATOM 0 HG21 THR A 814 -8.025 2.030 10.708 1.00 1.90 H new ATOM 0 HG22 THR A 814 -7.535 2.382 9.033 1.00 1.90 H new ATOM 0 HG23 THR A 814 -8.765 1.138 9.358 1.00 1.90 H new ATOM 597 N LYS A 815 -6.074 -2.489 8.395 1.00 0.61 N ATOM 598 CA LYS A 815 -5.303 -3.717 8.469 1.00 0.82 C ATOM 599 C LYS A 815 -4.621 -4.014 7.143 1.00 0.88 C ATOM 600 O LYS A 815 -4.651 -5.143 6.662 1.00 1.68 O ATOM 601 CB LYS A 815 -6.216 -4.882 8.844 1.00 1.16 C ATOM 602 CG LYS A 815 -6.852 -4.761 10.221 1.00 1.29 C ATOM 603 CD LYS A 815 -5.822 -4.850 11.336 1.00 1.45 C ATOM 604 CE LYS A 815 -5.146 -3.513 11.602 1.00 1.74 C ATOM 605 NZ LYS A 815 -4.092 -3.621 12.644 1.00 2.52 N ATOM 0 H LYS A 815 -7.061 -2.631 8.180 1.00 0.61 H new ATOM 0 HA LYS A 815 -4.536 -3.590 9.233 1.00 0.82 H new ATOM 0 HB2 LYS A 815 -7.006 -4.964 8.098 1.00 1.16 H new ATOM 0 HB3 LYS A 815 -5.641 -5.807 8.802 1.00 1.16 H new ATOM 0 HG2 LYS A 815 -7.382 -3.811 10.293 1.00 1.29 H new ATOM 0 HG3 LYS A 815 -7.593 -5.550 10.348 1.00 1.29 H new ATOM 0 HD2 LYS A 815 -6.306 -5.198 12.248 1.00 1.45 H new ATOM 0 HD3 LYS A 815 -5.067 -5.591 11.073 1.00 1.45 H new ATOM 0 HE2 LYS A 815 -4.705 -3.139 10.678 1.00 1.74 H new ATOM 0 HE3 LYS A 815 -5.894 -2.785 11.916 1.00 1.74 H new ATOM 0 HZ1 LYS A 815 -3.656 -2.689 12.795 1.00 2.52 H new ATOM 0 HZ2 LYS A 815 -4.516 -3.953 13.534 1.00 2.52 H new ATOM 0 HZ3 LYS A 815 -3.365 -4.297 12.334 1.00 2.52 H new ATOM 619 N ILE A 816 -4.035 -3.001 6.541 1.00 0.43 N ATOM 620 CA ILE A 816 -3.386 -3.179 5.261 1.00 0.34 C ATOM 621 C ILE A 816 -1.994 -3.777 5.415 1.00 0.30 C ATOM 622 O ILE A 816 -1.228 -3.443 6.331 1.00 0.33 O ATOM 623 CB ILE A 816 -3.316 -1.873 4.435 1.00 0.39 C ATOM 624 CG1 ILE A 816 -2.704 -0.724 5.239 1.00 0.63 C ATOM 625 CG2 ILE A 816 -4.702 -1.496 3.936 1.00 0.55 C ATOM 626 CD1 ILE A 816 -2.538 0.549 4.434 1.00 1.06 C ATOM 0 H ILE A 816 -3.995 -2.053 6.914 1.00 0.43 H new ATOM 0 HA ILE A 816 -4.010 -3.881 4.708 1.00 0.34 H new ATOM 0 HB ILE A 816 -2.665 -2.054 3.580 1.00 0.39 H new ATOM 0 HG12 ILE A 816 -3.335 -0.519 6.104 1.00 0.63 H new ATOM 0 HG13 ILE A 816 -1.731 -1.034 5.620 1.00 0.63 H new ATOM 0 HG21 ILE A 816 -4.642 -0.575 3.356 1.00 0.55 H new ATOM 0 HG22 ILE A 816 -5.093 -2.296 3.307 1.00 0.55 H new ATOM 0 HG23 ILE A 816 -5.367 -1.346 4.787 1.00 0.55 H new ATOM 0 HD11 ILE A 816 -2.099 1.323 5.064 1.00 1.06 H new ATOM 0 HD12 ILE A 816 -1.883 0.359 3.583 1.00 1.06 H new ATOM 0 HD13 ILE A 816 -3.512 0.882 4.075 1.00 1.06 H new ATOM 638 N LYS A 817 -1.680 -4.632 4.471 1.00 0.26 N ATOM 639 CA LYS A 817 -0.408 -5.309 4.410 1.00 0.24 C ATOM 640 C LYS A 817 0.156 -5.054 3.031 1.00 0.23 C ATOM 641 O LYS A 817 -0.603 -4.914 2.081 1.00 0.24 O ATOM 642 CB LYS A 817 -0.610 -6.815 4.632 1.00 0.33 C ATOM 643 CG LYS A 817 0.678 -7.613 4.722 1.00 0.74 C ATOM 644 CD LYS A 817 0.414 -9.108 4.804 1.00 0.68 C ATOM 645 CE LYS A 817 -0.381 -9.471 6.040 1.00 1.18 C ATOM 646 NZ LYS A 817 -0.382 -10.937 6.295 1.00 1.35 N ATOM 0 H LYS A 817 -2.313 -4.881 3.711 1.00 0.26 H new ATOM 0 HA LYS A 817 0.272 -4.945 5.180 1.00 0.24 H new ATOM 0 HB2 LYS A 817 -1.179 -6.962 5.550 1.00 0.33 H new ATOM 0 HB3 LYS A 817 -1.213 -7.213 3.816 1.00 0.33 H new ATOM 0 HG2 LYS A 817 1.298 -7.401 3.851 1.00 0.74 H new ATOM 0 HG3 LYS A 817 1.241 -7.295 5.599 1.00 0.74 H new ATOM 0 HD2 LYS A 817 -0.128 -9.431 3.915 1.00 0.68 H new ATOM 0 HD3 LYS A 817 1.363 -9.645 4.811 1.00 0.68 H new ATOM 0 HE2 LYS A 817 0.036 -8.954 6.904 1.00 1.18 H new ATOM 0 HE3 LYS A 817 -1.408 -9.123 5.925 1.00 1.18 H new ATOM 0 HZ1 LYS A 817 -0.938 -11.140 7.150 1.00 1.35 H new ATOM 0 HZ2 LYS A 817 -0.804 -11.430 5.483 1.00 1.35 H new ATOM 0 HZ3 LYS A 817 0.595 -11.266 6.431 1.00 1.35 H new ATOM 660 N TYR A 818 1.451 -4.885 2.926 1.00 0.20 N ATOM 661 CA TYR A 818 2.031 -4.479 1.672 1.00 0.19 C ATOM 662 C TYR A 818 3.123 -5.442 1.267 1.00 0.18 C ATOM 663 O TYR A 818 3.747 -6.101 2.100 1.00 0.19 O ATOM 664 CB TYR A 818 2.560 -3.031 1.746 1.00 0.20 C ATOM 665 CG TYR A 818 3.949 -2.885 2.336 1.00 0.20 C ATOM 666 CD1 TYR A 818 5.079 -3.084 1.558 1.00 0.23 C ATOM 667 CD2 TYR A 818 4.126 -2.563 3.678 1.00 0.25 C ATOM 668 CE1 TYR A 818 6.345 -2.958 2.095 1.00 0.25 C ATOM 669 CE2 TYR A 818 5.386 -2.433 4.222 1.00 0.27 C ATOM 670 CZ TYR A 818 6.497 -2.604 3.410 1.00 0.26 C ATOM 671 OH TYR A 818 7.750 -2.498 3.969 1.00 0.30 O ATOM 0 H TYR A 818 2.117 -5.021 3.686 1.00 0.20 H new ATOM 0 HA TYR A 818 1.254 -4.501 0.908 1.00 0.19 H new ATOM 0 HB2 TYR A 818 2.563 -2.609 0.741 1.00 0.20 H new ATOM 0 HB3 TYR A 818 1.865 -2.436 2.339 1.00 0.20 H new ATOM 0 HD1 TYR A 818 4.967 -3.342 0.515 1.00 0.23 H new ATOM 0 HD2 TYR A 818 3.260 -2.412 4.305 1.00 0.25 H new ATOM 0 HE1 TYR A 818 7.214 -3.138 1.479 1.00 0.25 H new ATOM 0 HE2 TYR A 818 5.507 -2.200 5.270 1.00 0.27 H new ATOM 0 HH TYR A 818 7.667 -2.236 4.910 1.00 0.30 H new ATOM 681 N GLN A 819 3.207 -5.630 -0.022 1.00 0.17 N ATOM 682 CA GLN A 819 4.076 -6.612 -0.622 1.00 0.19 C ATOM 683 C GLN A 819 4.906 -5.937 -1.684 1.00 0.19 C ATOM 684 O GLN A 819 4.488 -4.927 -2.249 1.00 0.18 O ATOM 685 CB GLN A 819 3.268 -7.770 -1.223 1.00 0.22 C ATOM 686 CG GLN A 819 4.127 -8.903 -1.770 1.00 0.35 C ATOM 687 CD GLN A 819 3.900 -9.157 -3.244 1.00 0.45 C ATOM 688 OE1 GLN A 819 2.808 -9.540 -3.662 1.00 1.08 O ATOM 689 NE2 GLN A 819 4.930 -8.943 -4.043 1.00 0.90 N ATOM 0 H GLN A 819 2.664 -5.096 -0.700 1.00 0.17 H new ATOM 0 HA GLN A 819 4.727 -7.033 0.144 1.00 0.19 H new ATOM 0 HB2 GLN A 819 2.601 -8.169 -0.459 1.00 0.22 H new ATOM 0 HB3 GLN A 819 2.639 -7.384 -2.025 1.00 0.22 H new ATOM 0 HG2 GLN A 819 5.178 -8.667 -1.605 1.00 0.35 H new ATOM 0 HG3 GLN A 819 3.914 -9.815 -1.213 1.00 0.35 H new ATOM 0 HE21 GLN A 819 5.819 -8.625 -3.656 1.00 0.90 H new ATOM 0 HE22 GLN A 819 4.837 -9.095 -5.047 1.00 0.90 H new ATOM 698 N ASP A 820 6.113 -6.415 -1.862 1.00 0.22 N ATOM 699 CA ASP A 820 7.067 -5.745 -2.714 1.00 0.24 C ATOM 700 C ASP A 820 7.555 -6.709 -3.782 1.00 0.28 C ATOM 701 O ASP A 820 7.469 -7.937 -3.595 1.00 0.38 O ATOM 702 CB ASP A 820 8.250 -5.218 -1.876 1.00 0.31 C ATOM 703 CG ASP A 820 9.082 -6.309 -1.202 1.00 0.96 C ATOM 704 OD1 ASP A 820 8.826 -7.504 -1.469 1.00 1.38 O ATOM 705 OD2 ASP A 820 9.982 -5.995 -0.402 1.00 1.73 O ATOM 0 H ASP A 820 6.460 -7.270 -1.426 1.00 0.22 H new ATOM 0 HA ASP A 820 6.587 -4.894 -3.198 1.00 0.24 H new ATOM 0 HB2 ASP A 820 8.901 -4.627 -2.520 1.00 0.31 H new ATOM 0 HB3 ASP A 820 7.865 -4.546 -1.109 1.00 0.31 H new ATOM 710 N GLU A 821 7.808 -6.145 -4.970 1.00 0.28 N ATOM 711 CA GLU A 821 8.125 -6.909 -6.179 1.00 0.38 C ATOM 712 C GLU A 821 9.135 -8.016 -5.900 1.00 0.85 C ATOM 713 O GLU A 821 9.056 -9.103 -6.479 1.00 0.63 O ATOM 714 CB GLU A 821 8.672 -5.964 -7.255 1.00 1.20 C ATOM 715 CG GLU A 821 8.879 -6.618 -8.613 1.00 1.63 C ATOM 716 CD GLU A 821 7.581 -7.073 -9.249 1.00 2.62 C ATOM 717 OE1 GLU A 821 6.885 -7.918 -8.647 1.00 3.38 O ATOM 718 OE2 GLU A 821 7.242 -6.585 -10.347 1.00 3.04 O ATOM 0 H GLU A 821 7.798 -5.136 -5.118 1.00 0.28 H new ATOM 0 HA GLU A 821 7.207 -7.380 -6.529 1.00 0.38 H new ATOM 0 HB2 GLU A 821 7.985 -5.125 -7.369 1.00 1.20 H new ATOM 0 HB3 GLU A 821 9.622 -5.554 -6.913 1.00 1.20 H new ATOM 0 HG2 GLU A 821 9.377 -5.913 -9.279 1.00 1.63 H new ATOM 0 HG3 GLU A 821 9.544 -7.475 -8.501 1.00 1.63 H new ATOM 725 N ASP A 822 10.070 -7.730 -5.003 1.00 1.90 N ATOM 726 CA ASP A 822 11.080 -8.698 -4.596 1.00 2.86 C ATOM 727 C ASP A 822 10.415 -9.999 -4.144 1.00 2.24 C ATOM 728 O ASP A 822 10.726 -11.079 -4.652 1.00 2.49 O ATOM 729 CB ASP A 822 11.931 -8.121 -3.463 1.00 3.96 C ATOM 730 CG ASP A 822 13.159 -8.955 -3.143 1.00 5.04 C ATOM 731 OD1 ASP A 822 13.413 -9.940 -3.867 1.00 5.45 O ATOM 732 OD2 ASP A 822 13.868 -8.644 -2.161 1.00 5.63 O ATOM 0 H ASP A 822 10.150 -6.825 -4.539 1.00 1.90 H new ATOM 0 HA ASP A 822 11.724 -8.913 -5.449 1.00 2.86 H new ATOM 0 HB2 ASP A 822 12.246 -7.113 -3.733 1.00 3.96 H new ATOM 0 HB3 ASP A 822 11.317 -8.033 -2.567 1.00 3.96 H new ATOM 737 N GLY A 823 9.414 -9.873 -3.284 1.00 1.39 N ATOM 738 CA GLY A 823 8.646 -11.026 -2.863 1.00 0.79 C ATOM 739 C GLY A 823 8.482 -11.079 -1.362 1.00 0.74 C ATOM 740 O GLY A 823 8.968 -12.006 -0.715 1.00 0.91 O ATOM 0 H GLY A 823 9.120 -8.989 -2.869 1.00 1.39 H new ATOM 0 HA2 GLY A 823 7.664 -10.999 -3.334 1.00 0.79 H new ATOM 0 HA3 GLY A 823 9.139 -11.935 -3.206 1.00 0.79 H new ATOM 744 N ASP A 824 7.975 -10.001 -0.789 1.00 0.55 N ATOM 745 CA ASP A 824 7.953 -9.869 0.673 1.00 0.53 C ATOM 746 C ASP A 824 6.673 -9.202 1.159 1.00 0.40 C ATOM 747 O ASP A 824 6.088 -8.388 0.454 1.00 0.32 O ATOM 748 CB ASP A 824 9.174 -9.091 1.161 1.00 0.61 C ATOM 749 CG ASP A 824 9.360 -9.176 2.659 1.00 0.97 C ATOM 750 OD1 ASP A 824 9.492 -10.298 3.179 1.00 1.42 O ATOM 751 OD2 ASP A 824 9.357 -8.115 3.326 1.00 1.47 O ATOM 0 H ASP A 824 7.577 -9.211 -1.297 1.00 0.55 H new ATOM 0 HA ASP A 824 7.984 -10.875 1.092 1.00 0.53 H new ATOM 0 HB2 ASP A 824 10.066 -9.475 0.666 1.00 0.61 H new ATOM 0 HB3 ASP A 824 9.073 -8.045 0.870 1.00 0.61 H new ATOM 756 N PHE A 825 6.224 -9.587 2.351 1.00 0.43 N ATOM 757 CA PHE A 825 4.973 -9.087 2.915 1.00 0.38 C ATOM 758 C PHE A 825 5.223 -8.461 4.281 1.00 0.40 C ATOM 759 O PHE A 825 5.900 -9.028 5.139 1.00 0.47 O ATOM 760 CB PHE A 825 3.954 -10.219 3.093 1.00 0.47 C ATOM 761 CG PHE A 825 3.023 -10.438 1.930 1.00 0.49 C ATOM 762 CD1 PHE A 825 3.444 -11.160 0.823 1.00 0.91 C ATOM 763 CD2 PHE A 825 1.753 -9.886 1.918 1.00 0.55 C ATOM 764 CE1 PHE A 825 2.618 -11.333 -0.270 1.00 1.16 C ATOM 765 CE2 PHE A 825 0.918 -10.061 0.829 1.00 0.80 C ATOM 766 CZ PHE A 825 1.254 -10.899 -0.166 1.00 1.04 C ATOM 0 H PHE A 825 6.714 -10.251 2.951 1.00 0.43 H new ATOM 0 HA PHE A 825 4.578 -8.345 2.221 1.00 0.38 H new ATOM 0 HB2 PHE A 825 4.495 -11.146 3.283 1.00 0.47 H new ATOM 0 HB3 PHE A 825 3.357 -10.011 3.981 1.00 0.47 H new ATOM 0 HD1 PHE A 825 4.433 -11.594 0.816 1.00 0.91 H new ATOM 0 HD2 PHE A 825 1.411 -9.313 2.767 1.00 0.55 H new ATOM 0 HE1 PHE A 825 2.989 -11.783 -1.179 1.00 1.16 H new ATOM 0 HE2 PHE A 825 -0.014 -9.518 0.778 1.00 0.80 H new ATOM 0 HZ PHE A 825 0.512 -11.239 -0.874 1.00 1.04 H new ATOM 776 N VAL A 826 4.745 -7.237 4.410 1.00 0.35 N ATOM 777 CA VAL A 826 4.962 -6.399 5.582 1.00 0.39 C ATOM 778 C VAL A 826 3.664 -5.687 5.920 1.00 0.31 C ATOM 779 O VAL A 826 2.843 -5.464 5.041 1.00 0.29 O ATOM 780 CB VAL A 826 6.066 -5.340 5.358 1.00 0.52 C ATOM 781 CG1 VAL A 826 6.357 -4.575 6.639 1.00 1.35 C ATOM 782 CG2 VAL A 826 7.335 -5.970 4.832 1.00 0.95 C ATOM 0 H VAL A 826 4.183 -6.785 3.689 1.00 0.35 H new ATOM 0 HA VAL A 826 5.286 -7.047 6.396 1.00 0.39 H new ATOM 0 HB VAL A 826 5.695 -4.640 4.610 1.00 0.52 H new ATOM 0 HG11 VAL A 826 7.137 -3.837 6.453 1.00 1.35 H new ATOM 0 HG12 VAL A 826 5.452 -4.069 6.974 1.00 1.35 H new ATOM 0 HG13 VAL A 826 6.691 -5.270 7.410 1.00 1.35 H new ATOM 0 HG21 VAL A 826 8.091 -5.198 4.685 1.00 0.95 H new ATOM 0 HG22 VAL A 826 7.701 -6.705 5.549 1.00 0.95 H new ATOM 0 HG23 VAL A 826 7.130 -6.462 3.881 1.00 0.95 H new ATOM 792 N VAL A 827 3.433 -5.397 7.180 1.00 0.33 N ATOM 793 CA VAL A 827 2.168 -4.822 7.597 1.00 0.32 C ATOM 794 C VAL A 827 2.441 -3.503 8.294 1.00 0.35 C ATOM 795 O VAL A 827 3.446 -3.362 8.991 1.00 0.40 O ATOM 796 CB VAL A 827 1.437 -5.750 8.588 1.00 0.37 C ATOM 797 CG1 VAL A 827 0.075 -5.190 8.960 1.00 0.98 C ATOM 798 CG2 VAL A 827 1.302 -7.156 8.034 1.00 1.22 C ATOM 0 H VAL A 827 4.101 -5.548 7.935 1.00 0.33 H new ATOM 0 HA VAL A 827 1.543 -4.683 6.715 1.00 0.32 H new ATOM 0 HB VAL A 827 2.043 -5.802 9.492 1.00 0.37 H new ATOM 0 HG11 VAL A 827 -0.417 -5.865 9.660 1.00 0.98 H new ATOM 0 HG12 VAL A 827 0.198 -4.212 9.425 1.00 0.98 H new ATOM 0 HG13 VAL A 827 -0.535 -5.090 8.062 1.00 0.98 H new ATOM 0 HG21 VAL A 827 0.782 -7.784 8.758 1.00 1.22 H new ATOM 0 HG22 VAL A 827 0.734 -7.128 7.104 1.00 1.22 H new ATOM 0 HG23 VAL A 827 2.293 -7.568 7.842 1.00 1.22 H new ATOM 808 N LEU A 828 1.672 -2.486 7.935 1.00 0.34 N ATOM 809 CA LEU A 828 1.994 -1.140 8.367 1.00 0.38 C ATOM 810 C LEU A 828 0.810 -0.452 9.018 1.00 0.44 C ATOM 811 O LEU A 828 -0.350 -0.764 8.734 1.00 0.48 O ATOM 812 CB LEU A 828 2.539 -0.303 7.191 1.00 0.38 C ATOM 813 CG LEU A 828 1.669 -0.220 5.926 1.00 0.39 C ATOM 814 CD1 LEU A 828 0.500 0.730 6.125 1.00 1.03 C ATOM 815 CD2 LEU A 828 2.505 0.227 4.738 1.00 0.96 C ATOM 0 H LEU A 828 0.836 -2.566 7.356 1.00 0.34 H new ATOM 0 HA LEU A 828 2.774 -1.221 9.124 1.00 0.38 H new ATOM 0 HB2 LEU A 828 2.711 0.712 7.550 1.00 0.38 H new ATOM 0 HB3 LEU A 828 3.510 -0.710 6.908 1.00 0.38 H new ATOM 0 HG LEU A 828 1.271 -1.215 5.728 1.00 0.39 H new ATOM 0 HD11 LEU A 828 -0.097 0.768 5.214 1.00 1.03 H new ATOM 0 HD12 LEU A 828 -0.119 0.377 6.950 1.00 1.03 H new ATOM 0 HD13 LEU A 828 0.876 1.727 6.354 1.00 1.03 H new ATOM 0 HD21 LEU A 828 1.875 0.281 3.850 1.00 0.96 H new ATOM 0 HD22 LEU A 828 2.930 1.210 4.942 1.00 0.96 H new ATOM 0 HD23 LEU A 828 3.310 -0.489 4.569 1.00 0.96 H new ATOM 827 N GLY A 829 1.125 0.442 9.938 1.00 0.53 N ATOM 828 CA GLY A 829 0.110 1.165 10.667 1.00 0.63 C ATOM 829 C GLY A 829 0.712 1.951 11.808 1.00 0.73 C ATOM 830 O GLY A 829 0.171 1.967 12.915 1.00 1.20 O ATOM 0 H GLY A 829 2.082 0.682 10.196 1.00 0.53 H new ATOM 0 HA2 GLY A 829 -0.414 1.842 9.992 1.00 0.63 H new ATOM 0 HA3 GLY A 829 -0.631 0.466 11.055 1.00 0.63 H new ATOM 834 N SER A 830 1.869 2.552 11.557 1.00 0.74 N ATOM 835 CA SER A 830 2.584 3.281 12.590 1.00 0.85 C ATOM 836 C SER A 830 3.715 4.117 11.982 1.00 0.98 C ATOM 837 O SER A 830 4.756 4.303 12.607 1.00 1.93 O ATOM 838 CB SER A 830 3.145 2.296 13.627 1.00 0.89 C ATOM 839 OG SER A 830 3.630 2.964 14.782 1.00 1.58 O ATOM 0 H SER A 830 2.329 2.547 10.647 1.00 0.74 H new ATOM 0 HA SER A 830 1.889 3.961 13.083 1.00 0.85 H new ATOM 0 HB2 SER A 830 2.366 1.590 13.916 1.00 0.89 H new ATOM 0 HB3 SER A 830 3.951 1.716 13.178 1.00 0.89 H new ATOM 0 HG SER A 830 4.219 3.699 14.512 1.00 1.58 H new ATOM 845 N ASP A 831 3.452 4.693 10.804 1.00 0.62 N ATOM 846 CA ASP A 831 4.380 5.619 10.125 1.00 0.62 C ATOM 847 C ASP A 831 5.685 4.954 9.669 1.00 0.58 C ATOM 848 O ASP A 831 6.033 5.010 8.487 1.00 0.97 O ATOM 849 CB ASP A 831 4.704 6.824 11.020 1.00 0.86 C ATOM 850 CG ASP A 831 3.549 7.796 11.144 1.00 1.20 C ATOM 851 OD1 ASP A 831 3.211 8.461 10.144 1.00 1.79 O ATOM 852 OD2 ASP A 831 2.974 7.911 12.247 1.00 1.74 O ATOM 0 H ASP A 831 2.587 4.533 10.288 1.00 0.62 H new ATOM 0 HA ASP A 831 3.858 5.951 9.227 1.00 0.62 H new ATOM 0 HB2 ASP A 831 4.981 6.469 12.013 1.00 0.86 H new ATOM 0 HB3 ASP A 831 5.570 7.347 10.616 1.00 0.86 H new ATOM 857 N GLU A 832 6.451 4.424 10.617 1.00 0.50 N ATOM 858 CA GLU A 832 7.784 3.886 10.337 1.00 0.44 C ATOM 859 C GLU A 832 7.761 2.790 9.274 1.00 0.34 C ATOM 860 O GLU A 832 8.638 2.747 8.413 1.00 0.34 O ATOM 861 CB GLU A 832 8.433 3.353 11.617 1.00 0.56 C ATOM 862 CG GLU A 832 9.075 4.430 12.484 1.00 1.41 C ATOM 863 CD GLU A 832 8.074 5.374 13.113 1.00 2.19 C ATOM 864 OE1 GLU A 832 7.240 4.915 13.922 1.00 2.93 O ATOM 865 OE2 GLU A 832 8.112 6.579 12.798 1.00 2.62 O ATOM 0 H GLU A 832 6.171 4.354 11.595 1.00 0.50 H new ATOM 0 HA GLU A 832 8.377 4.712 9.945 1.00 0.44 H new ATOM 0 HB2 GLU A 832 7.678 2.831 12.205 1.00 0.56 H new ATOM 0 HB3 GLU A 832 9.192 2.618 11.348 1.00 0.56 H new ATOM 0 HG2 GLU A 832 9.657 3.952 13.272 1.00 1.41 H new ATOM 0 HG3 GLU A 832 9.774 5.006 11.877 1.00 1.41 H new ATOM 872 N ASP A 833 6.794 1.881 9.365 1.00 0.32 N ATOM 873 CA ASP A 833 6.724 0.738 8.447 1.00 0.29 C ATOM 874 C ASP A 833 6.641 1.216 7.000 1.00 0.24 C ATOM 875 O ASP A 833 7.417 0.784 6.138 1.00 0.23 O ATOM 876 CB ASP A 833 5.508 -0.152 8.745 1.00 0.38 C ATOM 877 CG ASP A 833 5.029 -0.070 10.185 1.00 1.21 C ATOM 878 OD1 ASP A 833 5.762 -0.520 11.091 1.00 2.14 O ATOM 879 OD2 ASP A 833 3.915 0.452 10.418 1.00 1.50 O ATOM 0 H ASP A 833 6.049 1.909 10.061 1.00 0.32 H new ATOM 0 HA ASP A 833 7.633 0.154 8.593 1.00 0.29 H new ATOM 0 HB2 ASP A 833 4.690 0.132 8.083 1.00 0.38 H new ATOM 0 HB3 ASP A 833 5.761 -1.187 8.514 1.00 0.38 H new ATOM 884 N TRP A 834 5.724 2.144 6.747 1.00 0.22 N ATOM 885 CA TRP A 834 5.555 2.704 5.414 1.00 0.20 C ATOM 886 C TRP A 834 6.810 3.461 4.992 1.00 0.19 C ATOM 887 O TRP A 834 7.274 3.306 3.868 1.00 0.18 O ATOM 888 CB TRP A 834 4.317 3.611 5.361 1.00 0.23 C ATOM 889 CG TRP A 834 4.092 4.276 4.037 1.00 0.22 C ATOM 890 CD1 TRP A 834 3.740 5.575 3.834 1.00 0.26 C ATOM 891 CD2 TRP A 834 4.195 3.680 2.738 1.00 0.19 C ATOM 892 NE1 TRP A 834 3.630 5.833 2.489 1.00 0.26 N ATOM 893 CE2 TRP A 834 3.907 4.686 1.795 1.00 0.22 C ATOM 894 CE3 TRP A 834 4.516 2.401 2.277 1.00 0.18 C ATOM 895 CZ2 TRP A 834 3.924 4.448 0.425 1.00 0.22 C ATOM 896 CZ3 TRP A 834 4.536 2.168 0.919 1.00 0.18 C ATOM 897 CH2 TRP A 834 4.245 3.188 0.009 1.00 0.19 C ATOM 0 H TRP A 834 5.087 2.523 7.448 1.00 0.22 H new ATOM 0 HA TRP A 834 5.400 1.886 4.710 1.00 0.20 H new ATOM 0 HB2 TRP A 834 3.437 3.018 5.610 1.00 0.23 H new ATOM 0 HB3 TRP A 834 4.412 4.379 6.128 1.00 0.23 H new ATOM 0 HD1 TRP A 834 3.571 6.299 4.618 1.00 0.26 H new ATOM 0 HE1 TRP A 834 3.382 6.732 2.075 1.00 0.26 H new ATOM 0 HE3 TRP A 834 4.745 1.608 2.973 1.00 0.18 H new ATOM 0 HZ2 TRP A 834 3.692 5.230 -0.283 1.00 0.22 H new ATOM 0 HZ3 TRP A 834 4.780 1.182 0.552 1.00 0.18 H new ATOM 0 HH2 TRP A 834 4.275 2.974 -1.049 1.00 0.19 H new ATOM 908 N ASN A 835 7.412 4.189 5.931 1.00 0.22 N ATOM 909 CA ASN A 835 8.666 4.898 5.666 1.00 0.25 C ATOM 910 C ASN A 835 9.734 3.935 5.149 1.00 0.21 C ATOM 911 O ASN A 835 10.382 4.202 4.137 1.00 0.21 O ATOM 912 CB ASN A 835 9.170 5.600 6.932 1.00 0.34 C ATOM 913 CG ASN A 835 10.496 6.313 6.718 1.00 1.15 C ATOM 914 OD1 ASN A 835 10.594 7.250 5.926 1.00 1.66 O ATOM 915 ND2 ASN A 835 11.525 5.875 7.428 1.00 2.00 N ATOM 0 H ASN A 835 7.055 4.304 6.879 1.00 0.22 H new ATOM 0 HA ASN A 835 8.470 5.649 4.901 1.00 0.25 H new ATOM 0 HB2 ASN A 835 8.424 6.321 7.264 1.00 0.34 H new ATOM 0 HB3 ASN A 835 9.281 4.866 7.730 1.00 0.34 H new ATOM 0 HD21 ASN A 835 12.439 6.317 7.328 1.00 2.00 H new ATOM 0 HD22 ASN A 835 11.404 5.095 8.074 1.00 2.00 H new ATOM 922 N VAL A 836 9.848 2.779 5.804 1.00 0.22 N ATOM 923 CA VAL A 836 10.788 1.742 5.384 1.00 0.25 C ATOM 924 C VAL A 836 10.500 1.290 3.952 1.00 0.19 C ATOM 925 O VAL A 836 11.408 1.221 3.119 1.00 0.19 O ATOM 926 CB VAL A 836 10.741 0.517 6.325 1.00 0.39 C ATOM 927 CG1 VAL A 836 11.643 -0.600 5.816 1.00 1.36 C ATOM 928 CG2 VAL A 836 11.135 0.913 7.740 1.00 1.22 C ATOM 0 H VAL A 836 9.299 2.538 6.629 1.00 0.22 H new ATOM 0 HA VAL A 836 11.785 2.180 5.431 1.00 0.25 H new ATOM 0 HB VAL A 836 9.716 0.145 6.340 1.00 0.39 H new ATOM 0 HG11 VAL A 836 11.590 -1.449 6.497 1.00 1.36 H new ATOM 0 HG12 VAL A 836 11.314 -0.910 4.824 1.00 1.36 H new ATOM 0 HG13 VAL A 836 12.671 -0.241 5.762 1.00 1.36 H new ATOM 0 HG21 VAL A 836 11.096 0.037 8.387 1.00 1.22 H new ATOM 0 HG22 VAL A 836 12.148 1.316 7.736 1.00 1.22 H new ATOM 0 HG23 VAL A 836 10.444 1.670 8.112 1.00 1.22 H new ATOM 938 N ALA A 837 9.226 1.042 3.653 1.00 0.16 N ATOM 939 CA ALA A 837 8.827 0.653 2.301 1.00 0.15 C ATOM 940 C ALA A 837 9.169 1.746 1.295 1.00 0.15 C ATOM 941 O ALA A 837 9.756 1.472 0.253 1.00 0.19 O ATOM 942 CB ALA A 837 7.343 0.334 2.242 1.00 0.17 C ATOM 0 H ALA A 837 8.458 1.103 4.322 1.00 0.16 H new ATOM 0 HA ALA A 837 9.385 -0.246 2.038 1.00 0.15 H new ATOM 0 HB1 ALA A 837 7.073 0.048 1.226 1.00 0.17 H new ATOM 0 HB2 ALA A 837 7.120 -0.488 2.922 1.00 0.17 H new ATOM 0 HB3 ALA A 837 6.770 1.213 2.536 1.00 0.17 H new ATOM 948 N LYS A 838 8.804 2.981 1.621 1.00 0.14 N ATOM 949 CA LYS A 838 9.069 4.123 0.750 1.00 0.19 C ATOM 950 C LYS A 838 10.558 4.257 0.434 1.00 0.20 C ATOM 951 O LYS A 838 10.940 4.375 -0.731 1.00 0.24 O ATOM 952 CB LYS A 838 8.579 5.405 1.409 1.00 0.23 C ATOM 953 CG LYS A 838 7.099 5.393 1.743 1.00 0.23 C ATOM 954 CD LYS A 838 6.701 6.600 2.595 1.00 0.40 C ATOM 955 CE LYS A 838 7.434 7.874 2.207 1.00 0.49 C ATOM 956 NZ LYS A 838 7.079 8.348 0.846 1.00 1.22 N ATOM 0 H LYS A 838 8.321 3.219 2.487 1.00 0.14 H new ATOM 0 HA LYS A 838 8.534 3.955 -0.184 1.00 0.19 H new ATOM 0 HB2 LYS A 838 9.147 5.573 2.324 1.00 0.23 H new ATOM 0 HB3 LYS A 838 8.786 6.245 0.747 1.00 0.23 H new ATOM 0 HG2 LYS A 838 6.518 5.391 0.821 1.00 0.23 H new ATOM 0 HG3 LYS A 838 6.854 4.474 2.276 1.00 0.23 H new ATOM 0 HD2 LYS A 838 5.627 6.764 2.503 1.00 0.40 H new ATOM 0 HD3 LYS A 838 6.901 6.378 3.643 1.00 0.40 H new ATOM 0 HE2 LYS A 838 7.204 8.656 2.931 1.00 0.49 H new ATOM 0 HE3 LYS A 838 8.509 7.700 2.258 1.00 0.49 H new ATOM 0 HZ1 LYS A 838 7.619 9.209 0.626 1.00 1.22 H new ATOM 0 HZ2 LYS A 838 7.307 7.609 0.151 1.00 1.22 H new ATOM 0 HZ3 LYS A 838 6.061 8.558 0.806 1.00 1.22 H new ATOM 970 N GLU A 839 11.390 4.217 1.475 1.00 0.21 N ATOM 971 CA GLU A 839 12.838 4.304 1.306 1.00 0.26 C ATOM 972 C GLU A 839 13.335 3.168 0.427 1.00 0.27 C ATOM 973 O GLU A 839 14.168 3.366 -0.455 1.00 0.31 O ATOM 974 CB GLU A 839 13.550 4.257 2.661 1.00 0.32 C ATOM 975 CG GLU A 839 13.286 5.471 3.539 1.00 0.47 C ATOM 976 CD GLU A 839 14.027 5.406 4.858 1.00 1.34 C ATOM 977 OE1 GLU A 839 13.750 4.488 5.660 1.00 2.22 O ATOM 978 OE2 GLU A 839 14.882 6.276 5.109 1.00 1.85 O ATOM 0 H GLU A 839 11.085 4.125 2.444 1.00 0.21 H new ATOM 0 HA GLU A 839 13.065 5.256 0.826 1.00 0.26 H new ATOM 0 HB2 GLU A 839 13.236 3.360 3.194 1.00 0.32 H new ATOM 0 HB3 GLU A 839 14.623 4.169 2.493 1.00 0.32 H new ATOM 0 HG2 GLU A 839 13.582 6.373 3.004 1.00 0.47 H new ATOM 0 HG3 GLU A 839 12.216 5.551 3.731 1.00 0.47 H new ATOM 985 N MET A 840 12.783 1.987 0.651 1.00 0.27 N ATOM 986 CA MET A 840 13.118 0.813 -0.138 1.00 0.31 C ATOM 987 C MET A 840 12.839 1.057 -1.618 1.00 0.34 C ATOM 988 O MET A 840 13.729 0.922 -2.462 1.00 0.40 O ATOM 989 CB MET A 840 12.298 -0.378 0.361 1.00 0.32 C ATOM 990 CG MET A 840 12.436 -1.639 -0.474 1.00 0.36 C ATOM 991 SD MET A 840 11.278 -2.918 0.043 1.00 0.76 S ATOM 992 CE MET A 840 9.710 -2.154 -0.385 1.00 0.35 C ATOM 0 H MET A 840 12.093 1.815 1.382 1.00 0.27 H new ATOM 0 HA MET A 840 14.181 0.601 -0.025 1.00 0.31 H new ATOM 0 HB2 MET A 840 12.595 -0.603 1.385 1.00 0.32 H new ATOM 0 HB3 MET A 840 11.247 -0.091 0.390 1.00 0.32 H new ATOM 0 HG2 MET A 840 12.267 -1.399 -1.524 1.00 0.36 H new ATOM 0 HG3 MET A 840 13.455 -2.018 -0.393 1.00 0.36 H new ATOM 0 HE1 MET A 840 9.108 -2.031 0.515 1.00 0.35 H new ATOM 0 HE2 MET A 840 9.892 -1.179 -0.836 1.00 0.35 H new ATOM 0 HE3 MET A 840 9.178 -2.788 -1.094 1.00 0.35 H new ATOM 1002 N LEU A 841 11.606 1.449 -1.914 1.00 0.30 N ATOM 1003 CA LEU A 841 11.179 1.686 -3.285 1.00 0.35 C ATOM 1004 C LEU A 841 12.032 2.758 -3.959 1.00 0.39 C ATOM 1005 O LEU A 841 12.649 2.521 -5.008 1.00 0.50 O ATOM 1006 CB LEU A 841 9.716 2.157 -3.294 1.00 0.33 C ATOM 1007 CG LEU A 841 8.728 1.297 -2.504 1.00 0.35 C ATOM 1008 CD1 LEU A 841 7.430 2.058 -2.278 1.00 0.62 C ATOM 1009 CD2 LEU A 841 8.451 -0.008 -3.226 1.00 0.62 C ATOM 0 H LEU A 841 10.880 1.610 -1.216 1.00 0.30 H new ATOM 0 HA LEU A 841 11.289 0.750 -3.833 1.00 0.35 H new ATOM 0 HB2 LEU A 841 9.680 3.172 -2.899 1.00 0.33 H new ATOM 0 HB3 LEU A 841 9.377 2.206 -4.329 1.00 0.33 H new ATOM 0 HG LEU A 841 9.175 1.065 -1.537 1.00 0.35 H new ATOM 0 HD11 LEU A 841 6.736 1.434 -1.715 1.00 0.62 H new ATOM 0 HD12 LEU A 841 7.636 2.970 -1.717 1.00 0.62 H new ATOM 0 HD13 LEU A 841 6.987 2.316 -3.240 1.00 0.62 H new ATOM 0 HD21 LEU A 841 7.746 -0.603 -2.645 1.00 0.62 H new ATOM 0 HD22 LEU A 841 8.026 0.202 -4.208 1.00 0.62 H new ATOM 0 HD23 LEU A 841 9.382 -0.563 -3.345 1.00 0.62 H new ATOM 1021 N ALA A 842 12.037 3.938 -3.357 1.00 0.36 N ATOM 1022 CA ALA A 842 12.679 5.103 -3.940 1.00 0.44 C ATOM 1023 C ALA A 842 14.180 4.919 -4.107 1.00 0.52 C ATOM 1024 O ALA A 842 14.730 5.209 -5.172 1.00 0.61 O ATOM 1025 CB ALA A 842 12.377 6.331 -3.096 1.00 0.47 C ATOM 0 H ALA A 842 11.597 4.113 -2.453 1.00 0.36 H new ATOM 0 HA ALA A 842 12.270 5.239 -4.941 1.00 0.44 H new ATOM 0 HB1 ALA A 842 12.860 7.203 -3.536 1.00 0.47 H new ATOM 0 HB2 ALA A 842 11.300 6.492 -3.061 1.00 0.47 H new ATOM 0 HB3 ALA A 842 12.754 6.179 -2.085 1.00 0.47 H new ATOM 1031 N GLU A 843 14.850 4.485 -3.051 1.00 0.53 N ATOM 1032 CA GLU A 843 16.298 4.340 -3.089 1.00 0.66 C ATOM 1033 C GLU A 843 16.733 3.218 -4.020 1.00 0.71 C ATOM 1034 O GLU A 843 17.673 3.386 -4.798 1.00 0.81 O ATOM 1035 CB GLU A 843 16.855 4.101 -1.685 1.00 0.71 C ATOM 1036 CG GLU A 843 16.690 5.296 -0.758 1.00 1.45 C ATOM 1037 CD GLU A 843 17.474 6.512 -1.217 1.00 2.11 C ATOM 1038 OE1 GLU A 843 18.322 6.367 -2.119 1.00 2.43 O ATOM 1039 OE2 GLU A 843 17.234 7.622 -0.692 1.00 2.92 O ATOM 0 H GLU A 843 14.419 4.228 -2.163 1.00 0.53 H new ATOM 0 HA GLU A 843 16.703 5.274 -3.480 1.00 0.66 H new ATOM 0 HB2 GLU A 843 16.355 3.238 -1.246 1.00 0.71 H new ATOM 0 HB3 GLU A 843 17.914 3.852 -1.760 1.00 0.71 H new ATOM 0 HG2 GLU A 843 15.633 5.555 -0.692 1.00 1.45 H new ATOM 0 HG3 GLU A 843 17.014 5.019 0.245 1.00 1.45 H new ATOM 1046 N ASN A 844 16.119 2.049 -3.882 1.00 0.67 N ATOM 1047 CA ASN A 844 16.543 0.887 -4.654 1.00 0.80 C ATOM 1048 C ASN A 844 16.229 1.052 -6.140 1.00 0.79 C ATOM 1049 O ASN A 844 17.145 1.051 -6.965 1.00 1.11 O ATOM 1050 CB ASN A 844 15.881 -0.389 -4.125 1.00 0.85 C ATOM 1051 CG ASN A 844 16.308 -0.767 -2.711 1.00 0.97 C ATOM 1052 OD1 ASN A 844 15.790 -1.724 -2.136 1.00 1.53 O ATOM 1053 ND2 ASN A 844 17.260 -0.037 -2.146 1.00 1.15 N ATOM 0 H ASN A 844 15.335 1.881 -3.251 1.00 0.67 H new ATOM 0 HA ASN A 844 17.624 0.803 -4.540 1.00 0.80 H new ATOM 0 HB2 ASN A 844 14.799 -0.260 -4.145 1.00 0.85 H new ATOM 0 HB3 ASN A 844 16.116 -1.214 -4.798 1.00 0.85 H new ATOM 0 HD21 ASN A 844 17.585 -0.262 -1.206 1.00 1.15 H new ATOM 0 HD22 ASN A 844 17.667 0.750 -2.652 1.00 1.15 H new ATOM 1060 N ASN A 845 14.934 1.250 -6.446 1.00 0.62 N ATOM 1061 CA ASN A 845 14.410 1.398 -7.823 1.00 0.71 C ATOM 1062 C ASN A 845 12.997 0.844 -7.858 1.00 0.61 C ATOM 1063 O ASN A 845 12.208 1.141 -8.755 1.00 0.71 O ATOM 1064 CB ASN A 845 15.256 0.668 -8.895 1.00 0.92 C ATOM 1065 CG ASN A 845 15.202 -0.856 -8.808 1.00 1.38 C ATOM 1066 OD1 ASN A 845 14.168 -1.481 -9.059 1.00 1.90 O ATOM 1067 ND2 ASN A 845 16.326 -1.467 -8.475 1.00 1.48 N ATOM 0 H ASN A 845 14.207 1.313 -5.734 1.00 0.62 H new ATOM 0 HA ASN A 845 14.445 2.460 -8.066 1.00 0.71 H new ATOM 0 HB2 ASN A 845 14.914 0.976 -9.883 1.00 0.92 H new ATOM 0 HB3 ASN A 845 16.294 0.989 -8.803 1.00 0.92 H new ATOM 0 HD21 ASN A 845 16.356 -2.485 -8.419 1.00 1.48 H new ATOM 0 HD22 ASN A 845 17.163 -0.920 -8.274 1.00 1.48 H new ATOM 1074 N GLU A 846 12.756 -0.076 -6.938 1.00 0.55 N ATOM 1075 CA GLU A 846 11.516 -0.825 -6.857 1.00 0.63 C ATOM 1076 C GLU A 846 10.314 0.100 -6.689 1.00 0.73 C ATOM 1077 O GLU A 846 10.426 1.190 -6.136 1.00 1.49 O ATOM 1078 CB GLU A 846 11.627 -1.797 -5.683 1.00 0.77 C ATOM 1079 CG GLU A 846 10.476 -2.772 -5.539 1.00 1.40 C ATOM 1080 CD GLU A 846 10.799 -3.863 -4.543 1.00 2.19 C ATOM 1081 OE1 GLU A 846 11.178 -3.532 -3.403 1.00 2.54 O ATOM 1082 OE2 GLU A 846 10.712 -5.052 -4.907 1.00 2.97 O ATOM 0 H GLU A 846 13.430 -0.326 -6.214 1.00 0.55 H new ATOM 0 HA GLU A 846 11.358 -1.374 -7.785 1.00 0.63 H new ATOM 0 HB2 GLU A 846 12.551 -2.365 -5.789 1.00 0.77 H new ATOM 0 HB3 GLU A 846 11.711 -1.220 -4.762 1.00 0.77 H new ATOM 0 HG2 GLU A 846 9.582 -2.237 -5.218 1.00 1.40 H new ATOM 0 HG3 GLU A 846 10.251 -3.217 -6.508 1.00 1.40 H new ATOM 1089 N LYS A 847 9.185 -0.307 -7.235 1.00 0.42 N ATOM 1090 CA LYS A 847 7.979 0.498 -7.159 1.00 0.37 C ATOM 1091 C LYS A 847 6.742 -0.384 -7.019 1.00 0.35 C ATOM 1092 O LYS A 847 5.697 0.077 -6.553 1.00 0.44 O ATOM 1093 CB LYS A 847 7.842 1.394 -8.390 1.00 0.44 C ATOM 1094 CG LYS A 847 6.764 2.453 -8.239 1.00 0.63 C ATOM 1095 CD LYS A 847 6.438 3.159 -9.548 1.00 1.29 C ATOM 1096 CE LYS A 847 7.576 4.046 -10.032 1.00 1.80 C ATOM 1097 NZ LYS A 847 8.608 3.286 -10.785 1.00 2.40 N ATOM 0 H LYS A 847 9.076 -1.189 -7.736 1.00 0.42 H new ATOM 0 HA LYS A 847 8.060 1.129 -6.274 1.00 0.37 H new ATOM 0 HB2 LYS A 847 8.797 1.882 -8.585 1.00 0.44 H new ATOM 0 HB3 LYS A 847 7.616 0.776 -9.259 1.00 0.44 H new ATOM 0 HG2 LYS A 847 5.859 1.989 -7.847 1.00 0.63 H new ATOM 0 HG3 LYS A 847 7.087 3.191 -7.505 1.00 0.63 H new ATOM 0 HD2 LYS A 847 6.212 2.415 -10.312 1.00 1.29 H new ATOM 0 HD3 LYS A 847 5.541 3.764 -9.417 1.00 1.29 H new ATOM 0 HE2 LYS A 847 7.173 4.834 -10.668 1.00 1.80 H new ATOM 0 HE3 LYS A 847 8.041 4.534 -9.176 1.00 1.80 H new ATOM 0 HZ1 LYS A 847 9.510 3.320 -10.268 1.00 2.40 H new ATOM 0 HZ2 LYS A 847 8.305 2.297 -10.888 1.00 2.40 H new ATOM 0 HZ3 LYS A 847 8.733 3.709 -11.727 1.00 2.40 H new ATOM 1111 N PHE A 848 6.845 -1.632 -7.473 1.00 0.32 N ATOM 1112 CA PHE A 848 5.716 -2.548 -7.420 1.00 0.30 C ATOM 1113 C PHE A 848 5.304 -2.791 -5.979 1.00 0.24 C ATOM 1114 O PHE A 848 6.109 -3.244 -5.158 1.00 0.21 O ATOM 1115 CB PHE A 848 6.073 -3.883 -8.070 1.00 0.31 C ATOM 1116 CG PHE A 848 4.885 -4.623 -8.617 1.00 0.35 C ATOM 1117 CD1 PHE A 848 4.281 -4.205 -9.792 1.00 0.46 C ATOM 1118 CD2 PHE A 848 4.382 -5.742 -7.973 1.00 0.35 C ATOM 1119 CE1 PHE A 848 3.196 -4.884 -10.309 1.00 0.54 C ATOM 1120 CE2 PHE A 848 3.298 -6.423 -8.488 1.00 0.42 C ATOM 1121 CZ PHE A 848 2.705 -5.995 -9.657 1.00 0.52 C ATOM 0 H PHE A 848 7.694 -2.026 -7.878 1.00 0.32 H new ATOM 0 HA PHE A 848 4.889 -2.095 -7.966 1.00 0.30 H new ATOM 0 HB2 PHE A 848 6.783 -3.706 -8.878 1.00 0.31 H new ATOM 0 HB3 PHE A 848 6.576 -4.512 -7.336 1.00 0.31 H new ATOM 0 HD1 PHE A 848 4.664 -3.338 -10.309 1.00 0.46 H new ATOM 0 HD2 PHE A 848 4.843 -6.085 -7.059 1.00 0.35 H new ATOM 0 HE1 PHE A 848 2.732 -4.545 -11.224 1.00 0.54 H new ATOM 0 HE2 PHE A 848 2.914 -7.292 -7.975 1.00 0.42 H new ATOM 0 HZ PHE A 848 1.858 -6.529 -10.061 1.00 0.52 H new ATOM 1131 N LEU A 849 4.043 -2.529 -5.692 1.00 0.22 N ATOM 1132 CA LEU A 849 3.515 -2.703 -4.357 1.00 0.18 C ATOM 1133 C LEU A 849 2.203 -3.465 -4.423 1.00 0.17 C ATOM 1134 O LEU A 849 1.397 -3.270 -5.330 1.00 0.19 O ATOM 1135 CB LEU A 849 3.305 -1.338 -3.689 1.00 0.20 C ATOM 1136 CG LEU A 849 3.182 -1.360 -2.166 1.00 0.24 C ATOM 1137 CD1 LEU A 849 4.462 -1.882 -1.538 1.00 0.56 C ATOM 1138 CD2 LEU A 849 2.874 0.032 -1.646 1.00 0.55 C ATOM 0 H LEU A 849 3.363 -2.192 -6.373 1.00 0.22 H new ATOM 0 HA LEU A 849 4.228 -3.273 -3.761 1.00 0.18 H new ATOM 0 HB2 LEU A 849 4.138 -0.689 -3.959 1.00 0.20 H new ATOM 0 HB3 LEU A 849 2.403 -0.886 -4.102 1.00 0.20 H new ATOM 0 HG LEU A 849 2.364 -2.027 -1.893 1.00 0.24 H new ATOM 0 HD11 LEU A 849 4.358 -1.891 -0.453 1.00 0.56 H new ATOM 0 HD12 LEU A 849 4.655 -2.895 -1.893 1.00 0.56 H new ATOM 0 HD13 LEU A 849 5.294 -1.236 -1.817 1.00 0.56 H new ATOM 0 HD21 LEU A 849 2.789 0.004 -0.560 1.00 0.55 H new ATOM 0 HD22 LEU A 849 3.677 0.712 -1.929 1.00 0.55 H new ATOM 0 HD23 LEU A 849 1.935 0.381 -2.075 1.00 0.55 H new ATOM 1150 N ASN A 850 2.007 -4.352 -3.478 1.00 0.16 N ATOM 1151 CA ASN A 850 0.797 -5.151 -3.413 1.00 0.17 C ATOM 1152 C ASN A 850 0.219 -5.035 -2.017 1.00 0.17 C ATOM 1153 O ASN A 850 0.963 -4.795 -1.074 1.00 0.16 O ATOM 1154 CB ASN A 850 1.095 -6.615 -3.748 1.00 0.19 C ATOM 1155 CG ASN A 850 1.505 -6.815 -5.197 1.00 0.34 C ATOM 1156 OD1 ASN A 850 0.689 -6.696 -6.113 1.00 0.96 O ATOM 1157 ND2 ASN A 850 2.777 -7.116 -5.415 1.00 0.45 N ATOM 0 H ASN A 850 2.676 -4.544 -2.732 1.00 0.16 H new ATOM 0 HA ASN A 850 0.077 -4.785 -4.145 1.00 0.17 H new ATOM 0 HB2 ASN A 850 1.890 -6.977 -3.097 1.00 0.19 H new ATOM 0 HB3 ASN A 850 0.212 -7.218 -3.538 1.00 0.19 H new ATOM 0 HD21 ASN A 850 3.111 -7.258 -6.368 1.00 0.45 H new ATOM 0 HD22 ASN A 850 3.422 -7.206 -4.630 1.00 0.45 H new ATOM 1164 N ILE A 851 -1.097 -5.044 -1.891 1.00 0.18 N ATOM 1165 CA ILE A 851 -1.722 -4.793 -0.598 1.00 0.21 C ATOM 1166 C ILE A 851 -2.695 -5.904 -0.266 1.00 0.24 C ATOM 1167 O ILE A 851 -3.640 -6.159 -1.004 1.00 0.26 O ATOM 1168 CB ILE A 851 -2.524 -3.469 -0.568 1.00 0.25 C ATOM 1169 CG1 ILE A 851 -2.004 -2.461 -1.588 1.00 0.24 C ATOM 1170 CG2 ILE A 851 -2.508 -2.855 0.822 1.00 0.35 C ATOM 1171 CD1 ILE A 851 -0.608 -1.936 -1.310 1.00 0.28 C ATOM 0 H ILE A 851 -1.749 -5.220 -2.656 1.00 0.18 H new ATOM 0 HA ILE A 851 -0.907 -4.736 0.124 1.00 0.21 H new ATOM 0 HB ILE A 851 -3.551 -3.717 -0.836 1.00 0.25 H new ATOM 0 HG12 ILE A 851 -2.012 -2.926 -2.574 1.00 0.24 H new ATOM 0 HG13 ILE A 851 -2.693 -1.617 -1.628 1.00 0.24 H new ATOM 0 HG21 ILE A 851 -3.078 -1.926 0.816 1.00 0.35 H new ATOM 0 HG22 ILE A 851 -2.955 -3.551 1.532 1.00 0.35 H new ATOM 0 HG23 ILE A 851 -1.479 -2.647 1.116 1.00 0.35 H new ATOM 0 HD11 ILE A 851 -0.325 -1.226 -2.087 1.00 0.28 H new ATOM 0 HD12 ILE A 851 -0.593 -1.437 -0.341 1.00 0.28 H new ATOM 0 HD13 ILE A 851 0.098 -2.766 -1.302 1.00 0.28 H new ATOM 1183 N ARG A 852 -2.504 -6.525 0.874 1.00 0.30 N ATOM 1184 CA ARG A 852 -3.403 -7.554 1.309 1.00 0.37 C ATOM 1185 C ARG A 852 -4.276 -7.045 2.433 1.00 0.39 C ATOM 1186 O ARG A 852 -3.767 -6.580 3.452 1.00 0.43 O ATOM 1187 CB ARG A 852 -2.624 -8.750 1.805 1.00 0.46 C ATOM 1188 CG ARG A 852 -3.467 -9.996 1.997 1.00 0.60 C ATOM 1189 CD ARG A 852 -2.617 -11.142 2.513 1.00 0.70 C ATOM 1190 NE ARG A 852 -3.422 -12.258 3.012 1.00 1.27 N ATOM 1191 CZ ARG A 852 -4.072 -13.126 2.235 1.00 1.63 C ATOM 1192 NH1 ARG A 852 -3.881 -13.126 0.921 1.00 1.72 N ATOM 1193 NH2 ARG A 852 -4.881 -14.031 2.777 1.00 2.38 N ATOM 0 H ARG A 852 -1.733 -6.332 1.513 1.00 0.30 H new ATOM 0 HA ARG A 852 -4.025 -7.844 0.462 1.00 0.37 H new ATOM 0 HB2 ARG A 852 -1.825 -8.970 1.097 1.00 0.46 H new ATOM 0 HB3 ARG A 852 -2.150 -8.495 2.753 1.00 0.46 H new ATOM 0 HG2 ARG A 852 -4.275 -9.790 2.699 1.00 0.60 H new ATOM 0 HG3 ARG A 852 -3.931 -10.277 1.051 1.00 0.60 H new ATOM 0 HD2 ARG A 852 -1.967 -11.497 1.713 1.00 0.70 H new ATOM 0 HD3 ARG A 852 -1.970 -10.779 3.312 1.00 0.70 H new ATOM 0 HE ARG A 852 -3.491 -12.380 4.022 1.00 1.27 H new ATOM 0 HH11 ARG A 852 -3.234 -12.460 0.500 1.00 1.72 H new ATOM 0 HH12 ARG A 852 -4.381 -13.793 0.333 1.00 1.72 H new ATOM 0 HH21 ARG A 852 -5.006 -14.063 3.789 1.00 2.38 H new ATOM 0 HH22 ARG A 852 -5.377 -14.694 2.181 1.00 2.38 H new ATOM 1207 N LEU A 853 -5.575 -7.166 2.270 1.00 0.46 N ATOM 1208 CA LEU A 853 -6.493 -6.780 3.321 1.00 0.54 C ATOM 1209 C LEU A 853 -7.094 -8.011 3.970 1.00 0.63 C ATOM 1210 O LEU A 853 -7.670 -7.931 5.057 1.00 1.15 O ATOM 1211 CB LEU A 853 -7.582 -5.872 2.790 1.00 0.71 C ATOM 1212 CG LEU A 853 -7.146 -4.437 2.506 1.00 0.59 C ATOM 1213 CD1 LEU A 853 -6.327 -4.346 1.228 1.00 1.12 C ATOM 1214 CD2 LEU A 853 -8.360 -3.545 2.438 1.00 1.56 C ATOM 0 H LEU A 853 -6.019 -7.526 1.425 1.00 0.46 H new ATOM 0 HA LEU A 853 -5.934 -6.224 4.074 1.00 0.54 H new ATOM 0 HB2 LEU A 853 -7.978 -6.304 1.871 1.00 0.71 H new ATOM 0 HB3 LEU A 853 -8.400 -5.851 3.510 1.00 0.71 H new ATOM 0 HG LEU A 853 -6.504 -4.101 3.320 1.00 0.59 H new ATOM 0 HD11 LEU A 853 -6.034 -3.310 1.057 1.00 1.12 H new ATOM 0 HD12 LEU A 853 -5.435 -4.965 1.323 1.00 1.12 H new ATOM 0 HD13 LEU A 853 -6.925 -4.697 0.387 1.00 1.12 H new ATOM 0 HD21 LEU A 853 -8.048 -2.521 2.235 1.00 1.56 H new ATOM 0 HD22 LEU A 853 -9.019 -3.888 1.641 1.00 1.56 H new ATOM 0 HD23 LEU A 853 -8.892 -3.581 3.389 1.00 1.56 H new ATOM 1226 N TYR A 854 -6.820 -9.158 3.340 1.00 0.99 N ATOM 1227 CA TYR A 854 -7.174 -10.486 3.856 1.00 1.08 C ATOM 1228 C TYR A 854 -8.544 -10.514 4.541 1.00 1.25 C ATOM 1229 O TYR A 854 -8.651 -11.053 5.661 1.00 1.67 O ATOM 1230 CB TYR A 854 -6.057 -11.012 4.781 1.00 0.91 C ATOM 1231 CG TYR A 854 -5.511 -9.990 5.762 1.00 0.77 C ATOM 1232 CD1 TYR A 854 -6.146 -9.774 6.978 1.00 0.88 C ATOM 1233 CD2 TYR A 854 -4.362 -9.259 5.485 1.00 0.90 C ATOM 1234 CE1 TYR A 854 -5.658 -8.860 7.885 1.00 0.93 C ATOM 1235 CE2 TYR A 854 -3.867 -8.342 6.392 1.00 0.86 C ATOM 1236 CZ TYR A 854 -4.502 -8.095 7.524 1.00 0.79 C ATOM 1237 OH TYR A 854 -4.034 -7.242 8.502 1.00 0.92 O ATOM 1238 OXT TYR A 854 -9.519 -10.009 3.937 1.00 1.77 O ATOM 0 H TYR A 854 -6.338 -9.191 2.442 1.00 0.99 H new ATOM 0 HA TYR A 854 -7.261 -11.157 3.001 1.00 1.08 H new ATOM 0 HB2 TYR A 854 -6.440 -11.865 5.341 1.00 0.91 H new ATOM 0 HB3 TYR A 854 -5.236 -11.378 4.165 1.00 0.91 H new ATOM 0 HD1 TYR A 854 -7.039 -10.333 7.217 1.00 0.88 H new ATOM 0 HD2 TYR A 854 -3.849 -9.410 4.547 1.00 0.90 H new ATOM 0 HE1 TYR A 854 -6.135 -8.723 8.844 1.00 0.93 H new ATOM 0 HE2 TYR A 854 -2.948 -7.819 6.173 1.00 0.86 H new ATOM 0 HH TYR A 854 -3.755 -6.397 8.092 1.00 0.92 H new