USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=13 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 835 ASN : amide:sc= 1.08 K(o=0.84,f=-14!) USER MOD Set 1.2: A 838 LYS NZ :NH3+ 143:sc= -0.243 (180deg=-4.32!) USER MOD Set 2.1: A 818 TYR OH : rot 180:sc= -0.0542 USER MOD Set 2.2: A 840 MET CE :methyl -111:sc= -5.44! (180deg=-7.41!) USER MOD Set 3.1: A 782 THR OG1 : rot 180:sc= -0.617 USER MOD Set 3.2: A 819 GLN : amide:sc= -3.11! C(o=-4.1!,f=-4.2!) USER MOD Set 3.3: A 850 ASN :FLIP amide:sc= -0.351 X(o=-4.2!,f=-4.1) USER MOD Single : A 787 LYS NZ :NH3+ -95:sc= 1.16 (180deg=-0.802) USER MOD Single : A 790 ASN : amide:sc= 0.296 K(o=0.3,f=-3.4!) USER MOD Single : A 796 MET CE :methyl 160:sc= -0.116 (180deg=-0.659) USER MOD Single : A 799 ASN :FLIP amide:sc= -0.0931 F(o=-2.7!,f=-0.093) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ -170:sc= -0.0116 (180deg=-0.125) USER MOD Single : A 814 THR OG1 : rot -10:sc= 1 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 830 SER OG : rot 180:sc= -0.3 USER MOD Single : A 844 ASN : amide:sc= 0.531 K(o=0.53,f=-0.009) USER MOD Single : A 845 ASN : amide:sc= 0.799 K(o=0.8,f=-0.41) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 854 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N GLU A 779 -7.697 -10.120 -0.092 1.00 0.78 N ATOM 15 CA GLU A 779 -7.807 -9.309 -1.294 1.00 0.85 C ATOM 16 C GLU A 779 -6.422 -8.863 -1.722 1.00 0.75 C ATOM 17 O GLU A 779 -5.670 -8.313 -0.917 1.00 1.17 O ATOM 18 CB GLU A 779 -8.680 -8.075 -1.060 1.00 1.60 C ATOM 19 CG GLU A 779 -10.097 -8.386 -0.620 1.00 1.95 C ATOM 20 CD GLU A 779 -10.976 -7.152 -0.616 1.00 2.62 C ATOM 21 OE1 GLU A 779 -11.283 -6.631 -1.708 1.00 3.25 O ATOM 22 OE2 GLU A 779 -11.381 -6.707 0.483 1.00 2.92 O ATOM 0 HA GLU A 779 -8.273 -9.914 -2.071 1.00 0.85 H new ATOM 0 HB2 GLU A 779 -8.207 -7.448 -0.304 1.00 1.60 H new ATOM 0 HB3 GLU A 779 -8.718 -7.492 -1.980 1.00 1.60 H new ATOM 0 HG2 GLU A 779 -10.527 -9.135 -1.286 1.00 1.95 H new ATOM 0 HG3 GLU A 779 -10.079 -8.821 0.379 1.00 1.95 H new ATOM 29 N ILE A 780 -6.083 -9.098 -2.977 1.00 0.62 N ATOM 30 CA ILE A 780 -4.792 -8.684 -3.486 1.00 0.43 C ATOM 31 C ILE A 780 -4.950 -7.484 -4.411 1.00 0.37 C ATOM 32 O ILE A 780 -5.836 -7.443 -5.268 1.00 0.49 O ATOM 33 CB ILE A 780 -4.044 -9.834 -4.210 1.00 0.45 C ATOM 34 CG1 ILE A 780 -2.653 -9.373 -4.667 1.00 0.75 C ATOM 35 CG2 ILE A 780 -4.850 -10.355 -5.390 1.00 0.74 C ATOM 36 CD1 ILE A 780 -1.711 -9.046 -3.523 1.00 0.51 C ATOM 0 H ILE A 780 -6.680 -9.570 -3.656 1.00 0.62 H new ATOM 0 HA ILE A 780 -4.183 -8.400 -2.628 1.00 0.43 H new ATOM 0 HB ILE A 780 -3.920 -10.652 -3.500 1.00 0.45 H new ATOM 0 HG12 ILE A 780 -2.206 -10.154 -5.282 1.00 0.75 H new ATOM 0 HG13 ILE A 780 -2.762 -8.492 -5.299 1.00 0.75 H new ATOM 0 HG21 ILE A 780 -4.301 -11.160 -5.878 1.00 0.74 H new ATOM 0 HG22 ILE A 780 -5.810 -10.732 -5.037 1.00 0.74 H new ATOM 0 HG23 ILE A 780 -5.017 -9.546 -6.102 1.00 0.74 H new ATOM 0 HD11 ILE A 780 -0.749 -8.728 -3.924 1.00 0.51 H new ATOM 0 HD12 ILE A 780 -2.136 -8.244 -2.920 1.00 0.51 H new ATOM 0 HD13 ILE A 780 -1.571 -9.931 -2.903 1.00 0.51 H new ATOM 48 N PHE A 781 -4.142 -6.479 -4.160 1.00 0.28 N ATOM 49 CA PHE A 781 -4.193 -5.234 -4.898 1.00 0.26 C ATOM 50 C PHE A 781 -2.799 -4.899 -5.392 1.00 0.22 C ATOM 51 O PHE A 781 -1.818 -5.278 -4.763 1.00 0.21 O ATOM 52 CB PHE A 781 -4.736 -4.111 -4.010 1.00 0.29 C ATOM 53 CG PHE A 781 -4.933 -2.813 -4.739 1.00 0.34 C ATOM 54 CD1 PHE A 781 -5.614 -2.782 -5.942 1.00 0.41 C ATOM 55 CD2 PHE A 781 -4.436 -1.623 -4.225 1.00 0.37 C ATOM 56 CE1 PHE A 781 -5.793 -1.598 -6.620 1.00 0.50 C ATOM 57 CE2 PHE A 781 -4.613 -0.437 -4.901 1.00 0.44 C ATOM 58 CZ PHE A 781 -5.293 -0.427 -6.098 1.00 0.52 C ATOM 0 H PHE A 781 -3.426 -6.501 -3.434 1.00 0.28 H new ATOM 0 HA PHE A 781 -4.863 -5.340 -5.751 1.00 0.26 H new ATOM 0 HB2 PHE A 781 -5.687 -4.426 -3.581 1.00 0.29 H new ATOM 0 HB3 PHE A 781 -4.049 -3.951 -3.179 1.00 0.29 H new ATOM 0 HD1 PHE A 781 -6.010 -3.698 -6.354 1.00 0.41 H new ATOM 0 HD2 PHE A 781 -3.905 -1.628 -3.285 1.00 0.37 H new ATOM 0 HE1 PHE A 781 -6.325 -1.588 -7.560 1.00 0.50 H new ATOM 0 HE2 PHE A 781 -4.220 0.483 -4.494 1.00 0.44 H new ATOM 0 HZ PHE A 781 -5.434 0.503 -6.629 1.00 0.52 H new ATOM 68 N THR A 782 -2.704 -4.282 -6.551 1.00 0.23 N ATOM 69 CA THR A 782 -1.411 -3.980 -7.136 1.00 0.23 C ATOM 70 C THR A 782 -1.329 -2.501 -7.479 1.00 0.23 C ATOM 71 O THR A 782 -2.276 -1.915 -8.008 1.00 0.25 O ATOM 72 CB THR A 782 -1.162 -4.829 -8.396 1.00 0.29 C ATOM 73 OG1 THR A 782 -1.275 -6.221 -8.067 1.00 1.39 O ATOM 74 CG2 THR A 782 0.215 -4.556 -8.979 1.00 1.34 C ATOM 0 H THR A 782 -3.504 -3.980 -7.107 1.00 0.23 H new ATOM 0 HA THR A 782 -0.640 -4.223 -6.405 1.00 0.23 H new ATOM 0 HB THR A 782 -1.910 -4.560 -9.142 1.00 0.29 H new ATOM 0 HG1 THR A 782 -1.118 -6.761 -8.870 1.00 1.39 H new ATOM 0 HG21 THR A 782 0.362 -5.170 -9.868 1.00 1.34 H new ATOM 0 HG22 THR A 782 0.294 -3.503 -9.248 1.00 1.34 H new ATOM 0 HG23 THR A 782 0.978 -4.799 -8.240 1.00 1.34 H new ATOM 82 N LEU A 783 -0.285 -1.877 -6.969 1.00 0.22 N ATOM 83 CA LEU A 783 -0.137 -0.439 -7.020 1.00 0.21 C ATOM 84 C LEU A 783 1.344 -0.089 -7.063 1.00 0.21 C ATOM 85 O LEU A 783 2.154 -0.779 -6.465 1.00 0.23 O ATOM 86 CB LEU A 783 -0.800 0.171 -5.778 1.00 0.26 C ATOM 87 CG LEU A 783 -0.897 1.696 -5.746 1.00 0.35 C ATOM 88 CD1 LEU A 783 -1.680 2.210 -6.942 1.00 0.83 C ATOM 89 CD2 LEU A 783 -1.550 2.147 -4.448 1.00 0.61 C ATOM 0 H LEU A 783 0.487 -2.357 -6.506 1.00 0.22 H new ATOM 0 HA LEU A 783 -0.616 -0.038 -7.913 1.00 0.21 H new ATOM 0 HB2 LEU A 783 -1.806 -0.238 -5.691 1.00 0.26 H new ATOM 0 HB3 LEU A 783 -0.246 -0.156 -4.898 1.00 0.26 H new ATOM 0 HG LEU A 783 0.110 2.111 -5.797 1.00 0.35 H new ATOM 0 HD11 LEU A 783 -1.737 3.298 -6.899 1.00 0.83 H new ATOM 0 HD12 LEU A 783 -1.179 1.909 -7.862 1.00 0.83 H new ATOM 0 HD13 LEU A 783 -2.687 1.793 -6.924 1.00 0.83 H new ATOM 0 HD21 LEU A 783 -1.616 3.235 -4.433 1.00 0.61 H new ATOM 0 HD22 LEU A 783 -2.551 1.722 -4.378 1.00 0.61 H new ATOM 0 HD23 LEU A 783 -0.952 1.808 -3.603 1.00 0.61 H new ATOM 101 N LEU A 784 1.705 0.970 -7.762 1.00 0.20 N ATOM 102 CA LEU A 784 3.097 1.400 -7.790 1.00 0.22 C ATOM 103 C LEU A 784 3.172 2.872 -7.437 1.00 0.21 C ATOM 104 O LEU A 784 2.334 3.661 -7.874 1.00 0.23 O ATOM 105 CB LEU A 784 3.750 1.138 -9.156 1.00 0.29 C ATOM 106 CG LEU A 784 4.210 -0.308 -9.403 1.00 0.91 C ATOM 107 CD1 LEU A 784 3.029 -1.223 -9.696 1.00 1.53 C ATOM 108 CD2 LEU A 784 5.212 -0.362 -10.546 1.00 1.45 C ATOM 0 H LEU A 784 1.066 1.544 -8.312 1.00 0.20 H new ATOM 0 HA LEU A 784 3.652 0.817 -7.055 1.00 0.22 H new ATOM 0 HB2 LEU A 784 3.041 1.414 -9.937 1.00 0.29 H new ATOM 0 HB3 LEU A 784 4.611 1.798 -9.260 1.00 0.29 H new ATOM 0 HG LEU A 784 4.694 -0.661 -8.492 1.00 0.91 H new ATOM 0 HD11 LEU A 784 3.388 -2.238 -9.866 1.00 1.53 H new ATOM 0 HD12 LEU A 784 2.345 -1.218 -8.847 1.00 1.53 H new ATOM 0 HD13 LEU A 784 2.507 -0.869 -10.585 1.00 1.53 H new ATOM 0 HD21 LEU A 784 5.526 -1.393 -10.706 1.00 1.45 H new ATOM 0 HD22 LEU A 784 4.748 0.021 -11.455 1.00 1.45 H new ATOM 0 HD23 LEU A 784 6.081 0.247 -10.297 1.00 1.45 H new ATOM 120 N VAL A 785 4.043 3.191 -6.488 1.00 0.22 N ATOM 121 CA VAL A 785 4.088 4.533 -5.919 1.00 0.25 C ATOM 122 C VAL A 785 4.482 5.573 -6.973 1.00 0.34 C ATOM 123 O VAL A 785 5.443 5.395 -7.720 1.00 0.79 O ATOM 124 CB VAL A 785 5.019 4.595 -4.683 1.00 0.28 C ATOM 125 CG1 VAL A 785 4.570 3.577 -3.651 1.00 0.95 C ATOM 126 CG2 VAL A 785 6.471 4.365 -5.059 1.00 1.10 C ATOM 0 H VAL A 785 4.726 2.542 -6.097 1.00 0.22 H new ATOM 0 HA VAL A 785 3.082 4.778 -5.579 1.00 0.25 H new ATOM 0 HB VAL A 785 4.950 5.596 -4.258 1.00 0.28 H new ATOM 0 HG11 VAL A 785 5.228 3.624 -2.783 1.00 0.95 H new ATOM 0 HG12 VAL A 785 3.548 3.797 -3.344 1.00 0.95 H new ATOM 0 HG13 VAL A 785 4.612 2.577 -4.084 1.00 0.95 H new ATOM 0 HG21 VAL A 785 7.091 4.416 -4.164 1.00 1.10 H new ATOM 0 HG22 VAL A 785 6.577 3.382 -5.518 1.00 1.10 H new ATOM 0 HG23 VAL A 785 6.790 5.131 -5.766 1.00 1.10 H new ATOM 136 N GLU A 786 3.597 6.544 -7.152 1.00 0.69 N ATOM 137 CA GLU A 786 3.707 7.515 -8.231 1.00 0.81 C ATOM 138 C GLU A 786 4.631 8.669 -7.856 1.00 0.87 C ATOM 139 O GLU A 786 5.461 9.098 -8.655 1.00 1.56 O ATOM 140 CB GLU A 786 2.313 8.045 -8.567 1.00 0.99 C ATOM 141 CG GLU A 786 2.282 9.088 -9.670 1.00 1.51 C ATOM 142 CD GLU A 786 0.891 9.646 -9.879 1.00 2.26 C ATOM 143 OE1 GLU A 786 -0.003 8.885 -10.315 1.00 2.59 O ATOM 144 OE2 GLU A 786 0.695 10.857 -9.657 1.00 3.06 O ATOM 0 H GLU A 786 2.783 6.680 -6.553 1.00 0.69 H new ATOM 0 HA GLU A 786 4.140 7.020 -9.101 1.00 0.81 H new ATOM 0 HB2 GLU A 786 1.681 7.207 -8.860 1.00 0.99 H new ATOM 0 HB3 GLU A 786 1.875 8.475 -7.666 1.00 0.99 H new ATOM 0 HG2 GLU A 786 2.965 9.900 -9.421 1.00 1.51 H new ATOM 0 HG3 GLU A 786 2.639 8.644 -10.600 1.00 1.51 H new ATOM 151 N LYS A 787 4.454 9.197 -6.654 1.00 0.91 N ATOM 152 CA LYS A 787 5.241 10.338 -6.204 1.00 1.01 C ATOM 153 C LYS A 787 5.616 10.181 -4.735 1.00 0.96 C ATOM 154 O LYS A 787 5.378 11.074 -3.921 1.00 1.58 O ATOM 155 CB LYS A 787 4.479 11.652 -6.448 1.00 1.17 C ATOM 156 CG LYS A 787 3.116 11.731 -5.768 1.00 1.21 C ATOM 157 CD LYS A 787 2.311 12.914 -6.286 1.00 1.35 C ATOM 158 CE LYS A 787 0.974 13.050 -5.571 1.00 1.27 C ATOM 159 NZ LYS A 787 1.112 13.702 -4.244 1.00 1.80 N ATOM 0 H LYS A 787 3.775 8.856 -5.974 1.00 0.91 H new ATOM 0 HA LYS A 787 6.163 10.375 -6.784 1.00 1.01 H new ATOM 0 HB2 LYS A 787 5.093 12.483 -6.100 1.00 1.17 H new ATOM 0 HB3 LYS A 787 4.343 11.784 -7.521 1.00 1.17 H new ATOM 0 HG2 LYS A 787 2.565 10.807 -5.944 1.00 1.21 H new ATOM 0 HG3 LYS A 787 3.249 11.822 -4.690 1.00 1.21 H new ATOM 0 HD2 LYS A 787 2.887 13.830 -6.155 1.00 1.35 H new ATOM 0 HD3 LYS A 787 2.140 12.795 -7.356 1.00 1.35 H new ATOM 0 HE2 LYS A 787 0.290 13.631 -6.190 1.00 1.27 H new ATOM 0 HE3 LYS A 787 0.529 12.063 -5.445 1.00 1.27 H new ATOM 0 HZ1 LYS A 787 1.193 12.974 -3.506 1.00 1.80 H new ATOM 0 HZ2 LYS A 787 1.964 14.298 -4.237 1.00 1.80 H new ATOM 0 HZ3 LYS A 787 0.275 14.291 -4.058 1.00 1.80 H new ATOM 173 N VAL A 788 6.215 9.035 -4.418 1.00 0.66 N ATOM 174 CA VAL A 788 6.666 8.712 -3.061 1.00 0.61 C ATOM 175 C VAL A 788 5.488 8.419 -2.130 1.00 0.70 C ATOM 176 O VAL A 788 5.438 7.353 -1.521 1.00 1.70 O ATOM 177 CB VAL A 788 7.547 9.838 -2.468 1.00 0.70 C ATOM 178 CG1 VAL A 788 7.893 9.555 -1.016 1.00 0.87 C ATOM 179 CG2 VAL A 788 8.814 9.995 -3.292 1.00 1.21 C ATOM 0 H VAL A 788 6.403 8.298 -5.098 1.00 0.66 H new ATOM 0 HA VAL A 788 7.273 7.810 -3.140 1.00 0.61 H new ATOM 0 HB VAL A 788 6.981 10.769 -2.503 1.00 0.70 H new ATOM 0 HG11 VAL A 788 8.512 10.362 -0.626 1.00 0.87 H new ATOM 0 HG12 VAL A 788 6.976 9.485 -0.430 1.00 0.87 H new ATOM 0 HG13 VAL A 788 8.439 8.614 -0.949 1.00 0.87 H new ATOM 0 HG21 VAL A 788 9.428 10.789 -2.868 1.00 1.21 H new ATOM 0 HG22 VAL A 788 9.373 9.059 -3.281 1.00 1.21 H new ATOM 0 HG23 VAL A 788 8.551 10.249 -4.319 1.00 1.21 H new ATOM 189 N TRP A 789 4.524 9.339 -2.090 1.00 0.50 N ATOM 190 CA TRP A 789 3.307 9.188 -1.290 1.00 0.33 C ATOM 191 C TRP A 789 3.598 9.253 0.204 1.00 0.29 C ATOM 192 O TRP A 789 4.184 8.339 0.781 1.00 0.34 O ATOM 193 CB TRP A 789 2.600 7.871 -1.617 1.00 0.32 C ATOM 194 CG TRP A 789 1.988 7.834 -2.980 1.00 0.34 C ATOM 195 CD1 TRP A 789 1.748 8.893 -3.807 1.00 0.39 C ATOM 196 CD2 TRP A 789 1.552 6.668 -3.679 1.00 0.34 C ATOM 197 NE1 TRP A 789 1.165 8.455 -4.970 1.00 0.42 N ATOM 198 CE2 TRP A 789 1.038 7.092 -4.916 1.00 0.39 C ATOM 199 CE3 TRP A 789 1.540 5.305 -3.376 1.00 0.34 C ATOM 200 CZ2 TRP A 789 0.517 6.200 -5.846 1.00 0.44 C ATOM 201 CZ3 TRP A 789 1.027 4.423 -4.300 1.00 0.40 C ATOM 202 CH2 TRP A 789 0.520 4.873 -5.523 1.00 0.44 C ATOM 0 H TRP A 789 4.565 10.214 -2.613 1.00 0.50 H new ATOM 0 HA TRP A 789 2.654 10.022 -1.547 1.00 0.33 H new ATOM 0 HB2 TRP A 789 3.316 7.054 -1.529 1.00 0.32 H new ATOM 0 HB3 TRP A 789 1.821 7.694 -0.875 1.00 0.32 H new ATOM 0 HD1 TRP A 789 1.982 9.923 -3.580 1.00 0.39 H new ATOM 0 HE1 TRP A 789 0.874 9.048 -5.747 1.00 0.42 H new ATOM 0 HE3 TRP A 789 1.927 4.949 -2.433 1.00 0.34 H new ATOM 0 HZ2 TRP A 789 0.124 6.544 -6.791 1.00 0.44 H new ATOM 0 HZ3 TRP A 789 1.016 3.366 -4.077 1.00 0.40 H new ATOM 0 HH2 TRP A 789 0.123 4.156 -6.227 1.00 0.44 H new ATOM 213 N ASN A 790 3.071 10.278 0.847 1.00 0.29 N ATOM 214 CA ASN A 790 3.200 10.434 2.291 1.00 0.32 C ATOM 215 C ASN A 790 2.187 9.562 3.039 1.00 0.37 C ATOM 216 O ASN A 790 1.583 10.001 4.015 1.00 0.82 O ATOM 217 CB ASN A 790 3.009 11.904 2.673 1.00 0.39 C ATOM 218 CG ASN A 790 1.672 12.459 2.217 1.00 1.20 C ATOM 219 OD1 ASN A 790 1.375 12.499 1.021 1.00 2.06 O ATOM 220 ND2 ASN A 790 0.848 12.862 3.164 1.00 1.79 N ATOM 0 H ASN A 790 2.544 11.023 0.391 1.00 0.29 H new ATOM 0 HA ASN A 790 4.200 10.109 2.580 1.00 0.32 H new ATOM 0 HB2 ASN A 790 3.091 12.007 3.755 1.00 0.39 H new ATOM 0 HB3 ASN A 790 3.812 12.496 2.235 1.00 0.39 H new ATOM 0 HD21 ASN A 790 -0.074 13.223 2.918 1.00 1.79 H new ATOM 0 HD22 ASN A 790 1.132 12.812 4.142 1.00 1.79 H new ATOM 227 N PHE A 791 2.003 8.330 2.552 1.00 0.30 N ATOM 228 CA PHE A 791 1.063 7.354 3.125 1.00 0.25 C ATOM 229 C PHE A 791 -0.382 7.760 2.866 1.00 0.23 C ATOM 230 O PHE A 791 -1.177 6.952 2.394 1.00 0.21 O ATOM 231 CB PHE A 791 1.302 7.160 4.628 1.00 0.28 C ATOM 232 CG PHE A 791 0.455 6.084 5.259 1.00 0.30 C ATOM 233 CD1 PHE A 791 0.342 4.841 4.659 1.00 0.30 C ATOM 234 CD2 PHE A 791 -0.237 6.318 6.438 1.00 0.42 C ATOM 235 CE1 PHE A 791 -0.442 3.852 5.220 1.00 0.36 C ATOM 236 CE2 PHE A 791 -1.026 5.333 7.002 1.00 0.47 C ATOM 237 CZ PHE A 791 -1.085 4.101 6.456 1.00 0.42 C ATOM 0 H PHE A 791 2.508 7.976 1.739 1.00 0.30 H new ATOM 0 HA PHE A 791 1.246 6.402 2.627 1.00 0.25 H new ATOM 0 HB2 PHE A 791 2.353 6.919 4.788 1.00 0.28 H new ATOM 0 HB3 PHE A 791 1.110 8.103 5.139 1.00 0.28 H new ATOM 0 HD1 PHE A 791 0.874 4.642 3.740 1.00 0.30 H new ATOM 0 HD2 PHE A 791 -0.159 7.281 6.921 1.00 0.42 H new ATOM 0 HE1 PHE A 791 -0.563 2.901 4.722 1.00 0.36 H new ATOM 0 HE2 PHE A 791 -1.601 5.552 7.889 1.00 0.47 H new ATOM 0 HZ PHE A 791 -1.620 3.309 6.959 1.00 0.42 H new ATOM 247 N ASP A 792 -0.708 9.011 3.147 1.00 0.26 N ATOM 248 CA ASP A 792 -2.052 9.521 2.927 1.00 0.29 C ATOM 249 C ASP A 792 -2.417 9.442 1.451 1.00 0.25 C ATOM 250 O ASP A 792 -3.463 8.911 1.101 1.00 0.26 O ATOM 251 CB ASP A 792 -2.175 10.959 3.441 1.00 0.38 C ATOM 252 CG ASP A 792 -2.091 11.036 4.954 1.00 1.13 C ATOM 253 OD1 ASP A 792 -2.948 10.436 5.638 1.00 1.74 O ATOM 254 OD2 ASP A 792 -1.178 11.718 5.468 1.00 1.86 O ATOM 0 H ASP A 792 -0.056 9.696 3.530 1.00 0.26 H new ATOM 0 HA ASP A 792 -2.752 8.900 3.486 1.00 0.29 H new ATOM 0 HB2 ASP A 792 -1.384 11.568 3.003 1.00 0.38 H new ATOM 0 HB3 ASP A 792 -3.123 11.382 3.109 1.00 0.38 H new ATOM 259 N ASP A 793 -1.479 9.833 0.592 1.00 0.24 N ATOM 260 CA ASP A 793 -1.654 9.714 -0.860 1.00 0.23 C ATOM 261 C ASP A 793 -1.853 8.264 -1.259 1.00 0.19 C ATOM 262 O ASP A 793 -2.757 7.929 -2.029 1.00 0.18 O ATOM 263 CB ASP A 793 -0.430 10.263 -1.592 1.00 0.28 C ATOM 264 CG ASP A 793 -0.463 11.761 -1.769 1.00 0.75 C ATOM 265 OD1 ASP A 793 -1.540 12.363 -1.610 1.00 1.16 O ATOM 266 OD2 ASP A 793 0.589 12.339 -2.106 1.00 1.36 O ATOM 0 H ASP A 793 -0.586 10.237 0.874 1.00 0.24 H new ATOM 0 HA ASP A 793 -2.537 10.291 -1.137 1.00 0.23 H new ATOM 0 HB2 ASP A 793 0.469 9.989 -1.039 1.00 0.28 H new ATOM 0 HB3 ASP A 793 -0.358 9.790 -2.571 1.00 0.28 H new ATOM 271 N LEU A 794 -1.002 7.415 -0.710 1.00 0.18 N ATOM 272 CA LEU A 794 -1.051 5.988 -0.963 1.00 0.17 C ATOM 273 C LEU A 794 -2.407 5.412 -0.548 1.00 0.16 C ATOM 274 O LEU A 794 -3.064 4.742 -1.338 1.00 0.16 O ATOM 275 CB LEU A 794 0.116 5.312 -0.222 1.00 0.19 C ATOM 276 CG LEU A 794 -0.105 3.863 0.215 1.00 0.19 C ATOM 277 CD1 LEU A 794 -0.149 2.923 -0.984 1.00 0.22 C ATOM 278 CD2 LEU A 794 0.984 3.431 1.181 1.00 0.22 C ATOM 0 H LEU A 794 -0.256 7.698 -0.075 1.00 0.18 H new ATOM 0 HA LEU A 794 -0.943 5.794 -2.030 1.00 0.17 H new ATOM 0 HB2 LEU A 794 0.995 5.344 -0.866 1.00 0.19 H new ATOM 0 HB3 LEU A 794 0.348 5.904 0.663 1.00 0.19 H new ATOM 0 HG LEU A 794 -1.069 3.810 0.720 1.00 0.19 H new ATOM 0 HD11 LEU A 794 -0.307 1.901 -0.640 1.00 0.22 H new ATOM 0 HD12 LEU A 794 -0.966 3.214 -1.645 1.00 0.22 H new ATOM 0 HD13 LEU A 794 0.795 2.981 -1.527 1.00 0.22 H new ATOM 0 HD21 LEU A 794 0.813 2.398 1.483 1.00 0.22 H new ATOM 0 HD22 LEU A 794 1.956 3.511 0.693 1.00 0.22 H new ATOM 0 HD23 LEU A 794 0.966 4.074 2.061 1.00 0.22 H new ATOM 290 N ILE A 795 -2.858 5.754 0.653 1.00 0.18 N ATOM 291 CA ILE A 795 -4.152 5.296 1.153 1.00 0.20 C ATOM 292 C ILE A 795 -5.311 5.887 0.353 1.00 0.19 C ATOM 293 O ILE A 795 -6.286 5.193 0.075 1.00 0.20 O ATOM 294 CB ILE A 795 -4.322 5.602 2.657 1.00 0.28 C ATOM 295 CG1 ILE A 795 -3.370 4.718 3.469 1.00 0.51 C ATOM 296 CG2 ILE A 795 -5.764 5.390 3.108 1.00 0.51 C ATOM 297 CD1 ILE A 795 -3.526 3.235 3.184 1.00 0.48 C ATOM 0 H ILE A 795 -2.345 6.350 1.303 1.00 0.18 H new ATOM 0 HA ILE A 795 -4.172 4.214 1.023 1.00 0.20 H new ATOM 0 HB ILE A 795 -4.077 6.650 2.827 1.00 0.28 H new ATOM 0 HG12 ILE A 795 -2.343 5.014 3.257 1.00 0.51 H new ATOM 0 HG13 ILE A 795 -3.540 4.895 4.531 1.00 0.51 H new ATOM 0 HG21 ILE A 795 -5.849 5.614 4.171 1.00 0.51 H new ATOM 0 HG22 ILE A 795 -6.422 6.051 2.544 1.00 0.51 H new ATOM 0 HG23 ILE A 795 -6.052 4.354 2.931 1.00 0.51 H new ATOM 0 HD11 ILE A 795 -2.821 2.671 3.794 1.00 0.48 H new ATOM 0 HD12 ILE A 795 -4.543 2.923 3.423 1.00 0.48 H new ATOM 0 HD13 ILE A 795 -3.327 3.044 2.129 1.00 0.48 H new ATOM 309 N MET A 796 -5.179 7.141 -0.071 1.00 0.22 N ATOM 310 CA MET A 796 -6.195 7.769 -0.916 1.00 0.26 C ATOM 311 C MET A 796 -6.389 6.954 -2.188 1.00 0.22 C ATOM 312 O MET A 796 -7.519 6.603 -2.546 1.00 0.23 O ATOM 313 CB MET A 796 -5.808 9.206 -1.275 1.00 0.38 C ATOM 314 CG MET A 796 -5.849 10.163 -0.096 1.00 0.93 C ATOM 315 SD MET A 796 -5.355 11.840 -0.535 1.00 2.03 S ATOM 316 CE MET A 796 -6.621 12.258 -1.731 1.00 2.69 C ATOM 0 H MET A 796 -4.385 7.740 0.154 1.00 0.22 H new ATOM 0 HA MET A 796 -7.129 7.798 -0.355 1.00 0.26 H new ATOM 0 HB2 MET A 796 -4.803 9.207 -1.698 1.00 0.38 H new ATOM 0 HB3 MET A 796 -6.481 9.571 -2.051 1.00 0.38 H new ATOM 0 HG2 MET A 796 -6.859 10.183 0.314 1.00 0.93 H new ATOM 0 HG3 MET A 796 -5.193 9.791 0.691 1.00 0.93 H new ATOM 0 HE1 MET A 796 -6.682 13.342 -1.833 1.00 2.69 H new ATOM 0 HE2 MET A 796 -6.371 11.816 -2.695 1.00 2.69 H new ATOM 0 HE3 MET A 796 -7.582 11.871 -1.393 1.00 2.69 H new ATOM 326 N ALA A 797 -5.272 6.558 -2.798 1.00 0.21 N ATOM 327 CA ALA A 797 -5.302 5.691 -3.967 1.00 0.22 C ATOM 328 C ALA A 797 -5.875 4.326 -3.600 1.00 0.21 C ATOM 329 O ALA A 797 -6.736 3.793 -4.301 1.00 0.26 O ATOM 330 CB ALA A 797 -3.905 5.543 -4.558 1.00 0.27 C ATOM 0 H ALA A 797 -4.335 6.827 -2.498 1.00 0.21 H new ATOM 0 HA ALA A 797 -5.946 6.146 -4.719 1.00 0.22 H new ATOM 0 HB1 ALA A 797 -3.946 4.892 -5.431 1.00 0.27 H new ATOM 0 HB2 ALA A 797 -3.529 6.523 -4.854 1.00 0.27 H new ATOM 0 HB3 ALA A 797 -3.239 5.109 -3.813 1.00 0.27 H new ATOM 336 N ILE A 798 -5.435 3.810 -2.455 1.00 0.20 N ATOM 337 CA ILE A 798 -5.922 2.539 -1.923 1.00 0.26 C ATOM 338 C ILE A 798 -7.444 2.533 -1.813 1.00 0.27 C ATOM 339 O ILE A 798 -8.108 1.623 -2.304 1.00 0.33 O ATOM 340 CB ILE A 798 -5.321 2.261 -0.526 1.00 0.31 C ATOM 341 CG1 ILE A 798 -3.835 1.931 -0.631 1.00 0.32 C ATOM 342 CG2 ILE A 798 -6.056 1.134 0.186 1.00 0.43 C ATOM 343 CD1 ILE A 798 -3.525 0.764 -1.537 1.00 0.67 C ATOM 0 H ILE A 798 -4.731 4.260 -1.870 1.00 0.20 H new ATOM 0 HA ILE A 798 -5.609 1.760 -2.618 1.00 0.26 H new ATOM 0 HB ILE A 798 -5.441 3.169 0.064 1.00 0.31 H new ATOM 0 HG12 ILE A 798 -3.303 2.810 -0.994 1.00 0.32 H new ATOM 0 HG13 ILE A 798 -3.450 1.715 0.366 1.00 0.32 H new ATOM 0 HG21 ILE A 798 -5.606 0.967 1.164 1.00 0.43 H new ATOM 0 HG22 ILE A 798 -7.104 1.405 0.311 1.00 0.43 H new ATOM 0 HG23 ILE A 798 -5.985 0.222 -0.407 1.00 0.43 H new ATOM 0 HD11 ILE A 798 -2.448 0.595 -1.557 1.00 0.67 H new ATOM 0 HD12 ILE A 798 -4.026 -0.129 -1.164 1.00 0.67 H new ATOM 0 HD13 ILE A 798 -3.877 0.983 -2.545 1.00 0.67 H new ATOM 355 N ASN A 799 -7.979 3.534 -1.131 1.00 0.27 N ATOM 356 CA ASN A 799 -9.412 3.613 -0.881 1.00 0.33 C ATOM 357 C ASN A 799 -10.193 3.765 -2.173 1.00 0.31 C ATOM 358 O ASN A 799 -11.220 3.118 -2.362 1.00 0.40 O ATOM 359 CB ASN A 799 -9.742 4.779 0.055 1.00 0.40 C ATOM 360 CG ASN A 799 -9.278 4.555 1.483 1.00 0.55 C ATOM 361 OD1 ASN A 799 -8.540 3.479 1.720 1.00 1.21 O flip ATOM 362 ND2 ASN A 799 -9.577 5.345 2.372 1.00 0.70 N flip ATOM 0 H ASN A 799 -7.441 4.307 -0.739 1.00 0.27 H new ATOM 0 HA ASN A 799 -9.706 2.678 -0.404 1.00 0.33 H new ATOM 0 HB2 ASN A 799 -9.280 5.687 -0.331 1.00 0.40 H new ATOM 0 HB3 ASN A 799 -10.819 4.944 0.052 1.00 0.40 H new ATOM 0 HD21 ASN A 799 -10.146 6.163 2.157 1.00 0.70 H new ATOM 0 HD22 ASN A 799 -9.256 5.184 3.327 1.00 0.70 H new ATOM 369 N SER A 800 -9.719 4.642 -3.045 1.00 0.30 N ATOM 370 CA SER A 800 -10.401 4.909 -4.297 1.00 0.35 C ATOM 371 C SER A 800 -10.419 3.669 -5.190 1.00 0.33 C ATOM 372 O SER A 800 -11.464 3.286 -5.714 1.00 0.41 O ATOM 373 CB SER A 800 -9.724 6.072 -5.024 1.00 0.44 C ATOM 374 OG SER A 800 -10.393 6.385 -6.232 1.00 1.29 O ATOM 0 H SER A 800 -8.864 5.180 -2.906 1.00 0.30 H new ATOM 0 HA SER A 800 -11.433 5.178 -4.072 1.00 0.35 H new ATOM 0 HB2 SER A 800 -9.709 6.949 -4.377 1.00 0.44 H new ATOM 0 HB3 SER A 800 -8.686 5.816 -5.237 1.00 0.44 H new ATOM 0 HG SER A 800 -9.939 7.133 -6.673 1.00 1.29 H new ATOM 380 N LYS A 801 -9.246 3.093 -5.419 1.00 0.29 N ATOM 381 CA LYS A 801 -9.114 1.955 -6.319 1.00 0.36 C ATOM 382 C LYS A 801 -9.768 0.688 -5.759 1.00 0.43 C ATOM 383 O LYS A 801 -10.502 -0.002 -6.468 1.00 0.58 O ATOM 384 CB LYS A 801 -7.642 1.707 -6.628 1.00 0.43 C ATOM 385 CG LYS A 801 -6.974 2.861 -7.361 1.00 0.86 C ATOM 386 CD LYS A 801 -5.521 2.550 -7.670 1.00 1.06 C ATOM 387 CE LYS A 801 -4.832 3.686 -8.399 1.00 1.13 C ATOM 388 NZ LYS A 801 -5.434 3.941 -9.735 1.00 1.95 N ATOM 0 H LYS A 801 -8.370 3.396 -4.993 1.00 0.29 H new ATOM 0 HA LYS A 801 -9.643 2.201 -7.240 1.00 0.36 H new ATOM 0 HB2 LYS A 801 -7.109 1.522 -5.695 1.00 0.43 H new ATOM 0 HB3 LYS A 801 -7.552 0.803 -7.231 1.00 0.43 H new ATOM 0 HG2 LYS A 801 -7.510 3.065 -8.288 1.00 0.86 H new ATOM 0 HG3 LYS A 801 -7.034 3.764 -6.753 1.00 0.86 H new ATOM 0 HD2 LYS A 801 -4.991 2.343 -6.741 1.00 1.06 H new ATOM 0 HD3 LYS A 801 -5.466 1.646 -8.276 1.00 1.06 H new ATOM 0 HE2 LYS A 801 -4.892 4.592 -7.796 1.00 1.13 H new ATOM 0 HE3 LYS A 801 -3.774 3.451 -8.517 1.00 1.13 H new ATOM 0 HZ1 LYS A 801 -4.833 4.604 -10.266 1.00 1.95 H new ATOM 0 HZ2 LYS A 801 -5.509 3.046 -10.259 1.00 1.95 H new ATOM 0 HZ3 LYS A 801 -6.382 4.352 -9.616 1.00 1.95 H new ATOM 402 N ILE A 802 -9.473 0.358 -4.502 1.00 0.39 N ATOM 403 CA ILE A 802 -10.007 -0.860 -3.891 1.00 0.52 C ATOM 404 C ILE A 802 -11.512 -0.749 -3.674 1.00 0.70 C ATOM 405 O ILE A 802 -12.292 -1.496 -4.273 1.00 1.56 O ATOM 406 CB ILE A 802 -9.315 -1.182 -2.546 1.00 0.54 C ATOM 407 CG1 ILE A 802 -7.834 -1.495 -2.770 1.00 0.64 C ATOM 408 CG2 ILE A 802 -10.006 -2.350 -1.851 1.00 0.71 C ATOM 409 CD1 ILE A 802 -7.068 -1.762 -1.496 1.00 0.71 C ATOM 0 H ILE A 802 -8.872 0.911 -3.891 1.00 0.39 H new ATOM 0 HA ILE A 802 -9.803 -1.674 -4.586 1.00 0.52 H new ATOM 0 HB ILE A 802 -9.392 -0.306 -1.902 1.00 0.54 H new ATOM 0 HG12 ILE A 802 -7.751 -2.364 -3.422 1.00 0.64 H new ATOM 0 HG13 ILE A 802 -7.371 -0.659 -3.293 1.00 0.64 H new ATOM 0 HG21 ILE A 802 -9.504 -2.560 -0.907 1.00 0.71 H new ATOM 0 HG22 ILE A 802 -11.048 -2.094 -1.659 1.00 0.71 H new ATOM 0 HG23 ILE A 802 -9.961 -3.232 -2.490 1.00 0.71 H new ATOM 0 HD11 ILE A 802 -6.026 -1.976 -1.736 1.00 0.71 H new ATOM 0 HD12 ILE A 802 -7.119 -0.885 -0.850 1.00 0.71 H new ATOM 0 HD13 ILE A 802 -7.505 -2.618 -0.981 1.00 0.71 H new ATOM 550 N PRO A 812 -9.035 0.987 4.977 1.00 0.88 N ATOM 551 CA PRO A 812 -9.172 -0.403 4.558 1.00 0.80 C ATOM 552 C PRO A 812 -8.965 -1.355 5.727 1.00 0.77 C ATOM 553 O PRO A 812 -8.043 -2.166 5.710 1.00 0.82 O ATOM 554 CB PRO A 812 -8.061 -0.576 3.506 1.00 0.77 C ATOM 555 CG PRO A 812 -7.366 0.749 3.419 1.00 0.75 C ATOM 556 CD PRO A 812 -7.701 1.485 4.683 1.00 0.82 C ATOM 0 HA PRO A 812 -10.165 -0.628 4.169 1.00 0.80 H new ATOM 0 HB2 PRO A 812 -7.366 -1.363 3.798 1.00 0.77 H new ATOM 0 HB3 PRO A 812 -8.479 -0.862 2.541 1.00 0.77 H new ATOM 0 HG2 PRO A 812 -6.289 0.617 3.320 1.00 0.75 H new ATOM 0 HG3 PRO A 812 -7.700 1.307 2.544 1.00 0.75 H new ATOM 0 HD2 PRO A 812 -6.996 1.262 5.484 1.00 0.82 H new ATOM 0 HD3 PRO A 812 -7.691 2.566 4.541 1.00 0.82 H new ATOM 564 N ILE A 813 -9.751 -1.141 6.785 1.00 0.87 N ATOM 565 CA ILE A 813 -9.682 -1.909 8.038 1.00 0.96 C ATOM 566 C ILE A 813 -8.367 -1.675 8.794 1.00 0.96 C ATOM 567 O ILE A 813 -8.180 -2.194 9.890 1.00 1.64 O ATOM 568 CB ILE A 813 -9.931 -3.431 7.811 1.00 1.06 C ATOM 569 CG1 ILE A 813 -10.715 -4.023 8.985 1.00 1.46 C ATOM 570 CG2 ILE A 813 -8.644 -4.215 7.598 1.00 1.22 C ATOM 571 CD1 ILE A 813 -12.086 -3.408 9.170 1.00 1.67 C ATOM 0 H ILE A 813 -10.468 -0.416 6.798 1.00 0.87 H new ATOM 0 HA ILE A 813 -10.490 -1.534 8.665 1.00 0.96 H new ATOM 0 HB ILE A 813 -10.516 -3.519 6.895 1.00 1.06 H new ATOM 0 HG12 ILE A 813 -10.825 -5.097 8.833 1.00 1.46 H new ATOM 0 HG13 ILE A 813 -10.139 -3.888 9.901 1.00 1.46 H new ATOM 0 HG21 ILE A 813 -8.880 -5.268 7.445 1.00 1.22 H new ATOM 0 HG22 ILE A 813 -8.124 -3.829 6.721 1.00 1.22 H new ATOM 0 HG23 ILE A 813 -8.005 -4.110 8.475 1.00 1.22 H new ATOM 0 HD11 ILE A 813 -12.583 -3.876 10.020 1.00 1.67 H new ATOM 0 HD12 ILE A 813 -11.983 -2.339 9.354 1.00 1.67 H new ATOM 0 HD13 ILE A 813 -12.680 -3.566 8.270 1.00 1.67 H new ATOM 583 N THR A 814 -7.488 -0.859 8.205 1.00 0.83 N ATOM 584 CA THR A 814 -6.177 -0.487 8.766 1.00 0.84 C ATOM 585 C THR A 814 -5.221 -1.681 8.901 1.00 0.71 C ATOM 586 O THR A 814 -4.009 -1.497 8.998 1.00 1.08 O ATOM 587 CB THR A 814 -6.266 0.274 10.122 1.00 1.10 C ATOM 588 OG1 THR A 814 -6.769 -0.566 11.168 1.00 1.03 O ATOM 589 CG2 THR A 814 -7.151 1.504 9.993 1.00 1.90 C ATOM 0 H THR A 814 -7.669 -0.425 7.300 1.00 0.83 H new ATOM 0 HA THR A 814 -5.764 0.203 8.030 1.00 0.84 H new ATOM 0 HB THR A 814 -5.253 0.582 10.383 1.00 1.10 H new ATOM 0 HG1 THR A 814 -7.100 -1.404 10.784 1.00 1.03 H new ATOM 0 HG21 THR A 814 -7.199 2.020 10.952 1.00 1.90 H new ATOM 0 HG22 THR A 814 -6.735 2.174 9.241 1.00 1.90 H new ATOM 0 HG23 THR A 814 -8.154 1.201 9.694 1.00 1.90 H new ATOM 597 N LYS A 815 -5.748 -2.898 8.811 1.00 0.61 N ATOM 598 CA LYS A 815 -4.917 -4.100 8.859 1.00 0.82 C ATOM 599 C LYS A 815 -4.370 -4.401 7.471 1.00 0.88 C ATOM 600 O LYS A 815 -4.466 -5.528 6.987 1.00 1.68 O ATOM 601 CB LYS A 815 -5.709 -5.324 9.357 1.00 1.16 C ATOM 602 CG LYS A 815 -6.916 -5.007 10.232 1.00 1.29 C ATOM 603 CD LYS A 815 -6.575 -4.838 11.703 1.00 1.45 C ATOM 604 CE LYS A 815 -5.481 -3.813 11.943 1.00 1.74 C ATOM 605 NZ LYS A 815 -5.226 -3.591 13.392 1.00 2.52 N ATOM 0 H LYS A 815 -6.746 -3.080 8.704 1.00 0.61 H new ATOM 0 HA LYS A 815 -4.103 -3.909 9.559 1.00 0.82 H new ATOM 0 HB2 LYS A 815 -6.048 -5.893 8.492 1.00 1.16 H new ATOM 0 HB3 LYS A 815 -5.033 -5.969 9.918 1.00 1.16 H new ATOM 0 HG2 LYS A 815 -7.387 -4.093 9.870 1.00 1.29 H new ATOM 0 HG3 LYS A 815 -7.650 -5.806 10.127 1.00 1.29 H new ATOM 0 HD2 LYS A 815 -7.471 -4.539 12.246 1.00 1.45 H new ATOM 0 HD3 LYS A 815 -6.261 -5.799 12.111 1.00 1.45 H new ATOM 0 HE2 LYS A 815 -4.562 -4.146 11.461 1.00 1.74 H new ATOM 0 HE3 LYS A 815 -5.762 -2.869 11.476 1.00 1.74 H new ATOM 0 HZ1 LYS A 815 -4.472 -2.884 13.507 1.00 2.52 H new ATOM 0 HZ2 LYS A 815 -6.095 -3.248 13.849 1.00 2.52 H new ATOM 0 HZ3 LYS A 815 -4.932 -4.486 13.834 1.00 2.52 H new ATOM 619 N ILE A 816 -3.883 -3.373 6.802 1.00 0.43 N ATOM 620 CA ILE A 816 -3.387 -3.526 5.450 1.00 0.34 C ATOM 621 C ILE A 816 -2.014 -4.173 5.447 1.00 0.30 C ATOM 622 O ILE A 816 -1.189 -3.952 6.344 1.00 0.33 O ATOM 623 CB ILE A 816 -3.318 -2.185 4.689 1.00 0.39 C ATOM 624 CG1 ILE A 816 -2.370 -1.208 5.387 1.00 0.63 C ATOM 625 CG2 ILE A 816 -4.704 -1.578 4.558 1.00 0.55 C ATOM 626 CD1 ILE A 816 -2.196 0.100 4.643 1.00 1.06 C ATOM 0 H ILE A 816 -3.821 -2.425 7.173 1.00 0.43 H new ATOM 0 HA ILE A 816 -4.100 -4.170 4.935 1.00 0.34 H new ATOM 0 HB ILE A 816 -2.927 -2.381 3.690 1.00 0.39 H new ATOM 0 HG12 ILE A 816 -2.748 -1.000 6.388 1.00 0.63 H new ATOM 0 HG13 ILE A 816 -1.396 -1.682 5.506 1.00 0.63 H new ATOM 0 HG21 ILE A 816 -4.638 -0.633 4.019 1.00 0.55 H new ATOM 0 HG22 ILE A 816 -5.351 -2.263 4.011 1.00 0.55 H new ATOM 0 HG23 ILE A 816 -5.119 -1.402 5.550 1.00 0.55 H new ATOM 0 HD11 ILE A 816 -1.511 0.744 5.195 1.00 1.06 H new ATOM 0 HD12 ILE A 816 -1.789 -0.097 3.651 1.00 1.06 H new ATOM 0 HD13 ILE A 816 -3.162 0.595 4.547 1.00 1.06 H new ATOM 638 N LYS A 817 -1.756 -4.918 4.399 1.00 0.26 N ATOM 639 CA LYS A 817 -0.483 -5.570 4.227 1.00 0.24 C ATOM 640 C LYS A 817 0.048 -5.199 2.856 1.00 0.23 C ATOM 641 O LYS A 817 -0.729 -4.966 1.937 1.00 0.24 O ATOM 642 CB LYS A 817 -0.646 -7.088 4.360 1.00 0.33 C ATOM 643 CG LYS A 817 0.667 -7.824 4.535 1.00 0.74 C ATOM 644 CD LYS A 817 0.479 -9.331 4.621 1.00 0.68 C ATOM 645 CE LYS A 817 -0.358 -9.723 5.821 1.00 1.18 C ATOM 646 NZ LYS A 817 -0.121 -11.130 6.233 1.00 1.35 N ATOM 0 H LYS A 817 -2.421 -5.088 3.645 1.00 0.26 H new ATOM 0 HA LYS A 817 0.221 -5.248 4.995 1.00 0.24 H new ATOM 0 HB2 LYS A 817 -1.290 -7.303 5.213 1.00 0.33 H new ATOM 0 HB3 LYS A 817 -1.152 -7.470 3.474 1.00 0.33 H new ATOM 0 HG2 LYS A 817 1.326 -7.590 3.699 1.00 0.74 H new ATOM 0 HG3 LYS A 817 1.161 -7.470 5.440 1.00 0.74 H new ATOM 0 HD2 LYS A 817 0.000 -9.691 3.710 1.00 0.68 H new ATOM 0 HD3 LYS A 817 1.453 -9.816 4.682 1.00 0.68 H new ATOM 0 HE2 LYS A 817 -0.129 -9.059 6.654 1.00 1.18 H new ATOM 0 HE3 LYS A 817 -1.414 -9.588 5.586 1.00 1.18 H new ATOM 0 HZ1 LYS A 817 -0.714 -11.355 7.057 1.00 1.35 H new ATOM 0 HZ2 LYS A 817 -0.363 -11.767 5.448 1.00 1.35 H new ATOM 0 HZ3 LYS A 817 0.881 -11.254 6.483 1.00 1.35 H new ATOM 660 N TYR A 818 1.341 -4.988 2.762 1.00 0.20 N ATOM 661 CA TYR A 818 1.924 -4.482 1.540 1.00 0.19 C ATOM 662 C TYR A 818 3.073 -5.373 1.107 1.00 0.18 C ATOM 663 O TYR A 818 3.694 -6.054 1.923 1.00 0.19 O ATOM 664 CB TYR A 818 2.378 -3.024 1.708 1.00 0.20 C ATOM 665 CG TYR A 818 3.763 -2.847 2.292 1.00 0.20 C ATOM 666 CD1 TYR A 818 4.879 -2.831 1.473 1.00 0.23 C ATOM 667 CD2 TYR A 818 3.954 -2.726 3.664 1.00 0.25 C ATOM 668 CE1 TYR A 818 6.146 -2.694 1.996 1.00 0.25 C ATOM 669 CE2 TYR A 818 5.219 -2.581 4.196 1.00 0.27 C ATOM 670 CZ TYR A 818 6.295 -2.479 3.372 1.00 0.26 C ATOM 671 OH TYR A 818 7.580 -2.430 3.878 1.00 0.30 O ATOM 0 H TYR A 818 2.008 -5.158 3.515 1.00 0.20 H new ATOM 0 HA TYR A 818 1.165 -4.496 0.758 1.00 0.19 H new ATOM 0 HB2 TYR A 818 2.346 -2.535 0.734 1.00 0.20 H new ATOM 0 HB3 TYR A 818 1.662 -2.508 2.348 1.00 0.20 H new ATOM 0 HD1 TYR A 818 4.754 -2.928 0.405 1.00 0.23 H new ATOM 0 HD2 TYR A 818 3.099 -2.746 4.324 1.00 0.25 H new ATOM 0 HE1 TYR A 818 7.012 -2.752 1.354 1.00 0.25 H new ATOM 0 HE2 TYR A 818 5.354 -2.549 5.267 1.00 0.27 H new ATOM 0 HH TYR A 818 7.545 -2.274 4.845 1.00 0.30 H new ATOM 681 N GLN A 819 3.225 -5.488 -0.190 1.00 0.17 N ATOM 682 CA GLN A 819 4.170 -6.417 -0.768 1.00 0.19 C ATOM 683 C GLN A 819 5.076 -5.711 -1.762 1.00 0.19 C ATOM 684 O GLN A 819 4.658 -4.770 -2.428 1.00 0.18 O ATOM 685 CB GLN A 819 3.422 -7.584 -1.432 1.00 0.22 C ATOM 686 CG GLN A 819 4.186 -8.242 -2.572 1.00 0.35 C ATOM 687 CD GLN A 819 3.726 -9.653 -2.865 1.00 0.45 C ATOM 688 OE1 GLN A 819 4.024 -10.574 -2.120 1.00 1.08 O ATOM 689 NE2 GLN A 819 3.009 -9.834 -3.962 1.00 0.90 N ATOM 0 H GLN A 819 2.700 -4.943 -0.874 1.00 0.17 H new ATOM 0 HA GLN A 819 4.799 -6.820 0.026 1.00 0.19 H new ATOM 0 HB2 GLN A 819 3.200 -8.337 -0.676 1.00 0.22 H new ATOM 0 HB3 GLN A 819 2.467 -7.221 -1.811 1.00 0.22 H new ATOM 0 HG2 GLN A 819 4.075 -7.637 -3.472 1.00 0.35 H new ATOM 0 HG3 GLN A 819 5.248 -8.257 -2.327 1.00 0.35 H new ATOM 0 HE21 GLN A 819 2.781 -9.039 -4.559 1.00 0.90 H new ATOM 0 HE22 GLN A 819 2.685 -10.768 -4.211 1.00 0.90 H new ATOM 698 N ASP A 820 6.321 -6.157 -1.827 1.00 0.22 N ATOM 699 CA ASP A 820 7.327 -5.526 -2.670 1.00 0.24 C ATOM 700 C ASP A 820 7.949 -6.564 -3.588 1.00 0.28 C ATOM 701 O ASP A 820 8.077 -7.735 -3.214 1.00 0.38 O ATOM 702 CB ASP A 820 8.430 -4.902 -1.811 1.00 0.31 C ATOM 703 CG ASP A 820 9.557 -4.302 -2.639 1.00 0.96 C ATOM 704 OD1 ASP A 820 9.283 -3.835 -3.765 1.00 1.38 O ATOM 705 OD2 ASP A 820 10.713 -4.308 -2.175 1.00 1.73 O ATOM 0 H ASP A 820 6.662 -6.961 -1.301 1.00 0.22 H new ATOM 0 HA ASP A 820 6.844 -4.746 -3.259 1.00 0.24 H new ATOM 0 HB2 ASP A 820 7.997 -4.126 -1.180 1.00 0.31 H new ATOM 0 HB3 ASP A 820 8.840 -5.662 -1.146 1.00 0.31 H new ATOM 710 N GLU A 821 8.197 -6.148 -4.832 1.00 0.28 N ATOM 711 CA GLU A 821 8.736 -7.018 -5.885 1.00 0.38 C ATOM 712 C GLU A 821 7.791 -8.189 -6.175 1.00 0.85 C ATOM 713 O GLU A 821 8.162 -9.154 -6.849 1.00 0.63 O ATOM 714 CB GLU A 821 10.120 -7.551 -5.494 1.00 1.20 C ATOM 715 CG GLU A 821 10.888 -8.163 -6.656 1.00 1.63 C ATOM 716 CD GLU A 821 11.951 -9.144 -6.214 1.00 2.62 C ATOM 717 OE1 GLU A 821 12.110 -9.351 -4.992 1.00 3.38 O ATOM 718 OE2 GLU A 821 12.626 -9.726 -7.092 1.00 3.04 O ATOM 0 H GLU A 821 8.029 -5.191 -5.141 1.00 0.28 H new ATOM 0 HA GLU A 821 8.830 -6.418 -6.790 1.00 0.38 H new ATOM 0 HB2 GLU A 821 10.707 -6.736 -5.070 1.00 1.20 H new ATOM 0 HB3 GLU A 821 10.004 -8.301 -4.711 1.00 1.20 H new ATOM 0 HG2 GLU A 821 10.188 -8.670 -7.320 1.00 1.63 H new ATOM 0 HG3 GLU A 821 11.355 -7.366 -7.235 1.00 1.63 H new ATOM 725 N ASP A 822 6.573 -8.100 -5.652 1.00 1.90 N ATOM 726 CA ASP A 822 5.579 -9.159 -5.798 1.00 2.86 C ATOM 727 C ASP A 822 6.135 -10.476 -5.256 1.00 2.24 C ATOM 728 O ASP A 822 6.233 -11.469 -5.976 1.00 2.49 O ATOM 729 CB ASP A 822 5.151 -9.306 -7.264 1.00 3.96 C ATOM 730 CG ASP A 822 3.811 -10.002 -7.424 1.00 5.04 C ATOM 731 OD1 ASP A 822 3.740 -11.236 -7.250 1.00 5.45 O ATOM 732 OD2 ASP A 822 2.814 -9.306 -7.700 1.00 5.63 O ATOM 0 H ASP A 822 6.247 -7.295 -5.117 1.00 1.90 H new ATOM 0 HA ASP A 822 4.695 -8.891 -5.219 1.00 2.86 H new ATOM 0 HB2 ASP A 822 5.098 -8.318 -7.722 1.00 3.96 H new ATOM 0 HB3 ASP A 822 5.913 -9.868 -7.805 1.00 3.96 H new ATOM 737 N GLY A 823 6.623 -10.436 -4.019 1.00 1.39 N ATOM 738 CA GLY A 823 7.256 -11.611 -3.446 1.00 0.79 C ATOM 739 C GLY A 823 7.447 -11.556 -1.934 1.00 0.74 C ATOM 740 O GLY A 823 7.686 -12.587 -1.305 1.00 0.91 O ATOM 0 H GLY A 823 6.592 -9.620 -3.408 1.00 1.39 H new ATOM 0 HA2 GLY A 823 6.656 -12.487 -3.691 1.00 0.79 H new ATOM 0 HA3 GLY A 823 8.229 -11.749 -3.917 1.00 0.79 H new ATOM 744 N ASP A 824 7.368 -10.368 -1.348 1.00 0.55 N ATOM 745 CA ASP A 824 7.579 -10.203 0.093 1.00 0.53 C ATOM 746 C ASP A 824 6.410 -9.452 0.706 1.00 0.40 C ATOM 747 O ASP A 824 5.791 -8.636 0.038 1.00 0.32 O ATOM 748 CB ASP A 824 8.889 -9.451 0.363 1.00 0.61 C ATOM 749 CG ASP A 824 9.116 -9.176 1.840 1.00 0.97 C ATOM 750 OD1 ASP A 824 9.050 -10.124 2.650 1.00 1.42 O ATOM 751 OD2 ASP A 824 9.351 -8.003 2.202 1.00 1.47 O ATOM 0 H ASP A 824 7.160 -9.502 -1.844 1.00 0.55 H new ATOM 0 HA ASP A 824 7.647 -11.190 0.550 1.00 0.53 H new ATOM 0 HB2 ASP A 824 9.724 -10.034 -0.026 1.00 0.61 H new ATOM 0 HB3 ASP A 824 8.879 -8.506 -0.181 1.00 0.61 H new ATOM 756 N PHE A 825 6.062 -9.788 1.941 1.00 0.43 N ATOM 757 CA PHE A 825 4.875 -9.233 2.581 1.00 0.38 C ATOM 758 C PHE A 825 5.214 -8.591 3.923 1.00 0.40 C ATOM 759 O PHE A 825 5.925 -9.165 4.750 1.00 0.47 O ATOM 760 CB PHE A 825 3.830 -10.328 2.825 1.00 0.47 C ATOM 761 CG PHE A 825 2.822 -10.521 1.725 1.00 0.49 C ATOM 762 CD1 PHE A 825 1.664 -9.766 1.672 1.00 0.55 C ATOM 763 CD2 PHE A 825 3.068 -11.426 0.707 1.00 0.91 C ATOM 764 CE1 PHE A 825 0.767 -9.925 0.630 1.00 0.80 C ATOM 765 CE2 PHE A 825 2.184 -11.587 -0.336 1.00 1.16 C ATOM 766 CZ PHE A 825 0.894 -10.923 -0.237 1.00 1.04 C ATOM 0 H PHE A 825 6.585 -10.443 2.521 1.00 0.43 H new ATOM 0 HA PHE A 825 4.476 -8.475 1.907 1.00 0.38 H new ATOM 0 HB2 PHE A 825 4.350 -11.272 2.987 1.00 0.47 H new ATOM 0 HB3 PHE A 825 3.296 -10.097 3.747 1.00 0.47 H new ATOM 0 HD1 PHE A 825 1.458 -9.046 2.450 1.00 0.55 H new ATOM 0 HD2 PHE A 825 3.971 -12.018 0.731 1.00 0.91 H new ATOM 0 HE1 PHE A 825 -0.049 -9.226 0.520 1.00 0.80 H new ATOM 0 HE2 PHE A 825 2.440 -12.186 -1.198 1.00 1.16 H new ATOM 0 HZ PHE A 825 0.062 -11.233 -0.852 1.00 1.04 H new ATOM 776 N VAL A 826 4.690 -7.390 4.113 1.00 0.35 N ATOM 777 CA VAL A 826 4.904 -6.595 5.317 1.00 0.39 C ATOM 778 C VAL A 826 3.589 -5.941 5.714 1.00 0.31 C ATOM 779 O VAL A 826 2.752 -5.676 4.863 1.00 0.29 O ATOM 780 CB VAL A 826 5.970 -5.490 5.128 1.00 0.52 C ATOM 781 CG1 VAL A 826 6.265 -4.785 6.445 1.00 1.35 C ATOM 782 CG2 VAL A 826 7.248 -6.048 4.549 1.00 0.95 C ATOM 0 H VAL A 826 4.094 -6.931 3.425 1.00 0.35 H new ATOM 0 HA VAL A 826 5.267 -7.271 6.091 1.00 0.39 H new ATOM 0 HB VAL A 826 5.560 -4.766 4.424 1.00 0.52 H new ATOM 0 HG11 VAL A 826 7.018 -4.013 6.284 1.00 1.35 H new ATOM 0 HG12 VAL A 826 5.352 -4.328 6.825 1.00 1.35 H new ATOM 0 HG13 VAL A 826 6.637 -5.509 7.170 1.00 1.35 H new ATOM 0 HG21 VAL A 826 7.975 -5.244 4.430 1.00 0.95 H new ATOM 0 HG22 VAL A 826 7.652 -6.805 5.221 1.00 0.95 H new ATOM 0 HG23 VAL A 826 7.042 -6.498 3.578 1.00 0.95 H new ATOM 792 N VAL A 827 3.381 -5.733 6.997 1.00 0.33 N ATOM 793 CA VAL A 827 2.120 -5.207 7.482 1.00 0.32 C ATOM 794 C VAL A 827 2.387 -3.936 8.257 1.00 0.35 C ATOM 795 O VAL A 827 3.347 -3.860 9.031 1.00 0.40 O ATOM 796 CB VAL A 827 1.426 -6.202 8.434 1.00 0.37 C ATOM 797 CG1 VAL A 827 0.065 -5.681 8.868 1.00 0.98 C ATOM 798 CG2 VAL A 827 1.302 -7.575 7.807 1.00 1.22 C ATOM 0 H VAL A 827 4.070 -5.920 7.725 1.00 0.33 H new ATOM 0 HA VAL A 827 1.475 -5.026 6.622 1.00 0.32 H new ATOM 0 HB VAL A 827 2.052 -6.299 9.321 1.00 0.37 H new ATOM 0 HG11 VAL A 827 -0.403 -6.401 9.539 1.00 0.98 H new ATOM 0 HG12 VAL A 827 0.188 -4.730 9.386 1.00 0.98 H new ATOM 0 HG13 VAL A 827 -0.566 -5.538 7.991 1.00 0.98 H new ATOM 0 HG21 VAL A 827 0.808 -8.251 8.505 1.00 1.22 H new ATOM 0 HG22 VAL A 827 0.714 -7.505 6.892 1.00 1.22 H new ATOM 0 HG23 VAL A 827 2.295 -7.958 7.571 1.00 1.22 H new ATOM 808 N LEU A 828 1.647 -2.893 7.916 1.00 0.34 N ATOM 809 CA LEU A 828 1.917 -1.581 8.459 1.00 0.38 C ATOM 810 C LEU A 828 0.651 -0.934 9.000 1.00 0.44 C ATOM 811 O LEU A 828 -0.446 -1.124 8.470 1.00 0.48 O ATOM 812 CB LEU A 828 2.595 -0.686 7.391 1.00 0.38 C ATOM 813 CG LEU A 828 1.766 -0.352 6.138 1.00 0.39 C ATOM 814 CD1 LEU A 828 0.831 0.820 6.390 1.00 1.03 C ATOM 815 CD2 LEU A 828 2.673 -0.038 4.960 1.00 0.96 C ATOM 0 H LEU A 828 0.860 -2.934 7.269 1.00 0.34 H new ATOM 0 HA LEU A 828 2.604 -1.693 9.297 1.00 0.38 H new ATOM 0 HB2 LEU A 828 2.884 0.251 7.867 1.00 0.38 H new ATOM 0 HB3 LEU A 828 3.514 -1.177 7.070 1.00 0.38 H new ATOM 0 HG LEU A 828 1.165 -1.230 5.902 1.00 0.39 H new ATOM 0 HD11 LEU A 828 0.260 1.031 5.486 1.00 1.03 H new ATOM 0 HD12 LEU A 828 0.147 0.572 7.202 1.00 1.03 H new ATOM 0 HD13 LEU A 828 1.415 1.699 6.663 1.00 1.03 H new ATOM 0 HD21 LEU A 828 2.066 0.195 4.085 1.00 0.96 H new ATOM 0 HD22 LEU A 828 3.302 0.818 5.203 1.00 0.96 H new ATOM 0 HD23 LEU A 828 3.302 -0.902 4.745 1.00 0.96 H new ATOM 827 N GLY A 829 0.832 -0.136 10.029 1.00 0.53 N ATOM 828 CA GLY A 829 -0.249 0.638 10.591 1.00 0.63 C ATOM 829 C GLY A 829 0.249 2.012 10.945 1.00 0.73 C ATOM 830 O GLY A 829 -0.322 3.019 10.527 1.00 1.20 O ATOM 0 H GLY A 829 1.729 -0.007 10.497 1.00 0.53 H new ATOM 0 HA2 GLY A 829 -1.069 0.710 9.876 1.00 0.63 H new ATOM 0 HA3 GLY A 829 -0.642 0.142 11.479 1.00 0.63 H new ATOM 834 N SER A 830 1.444 2.035 11.517 1.00 0.74 N ATOM 835 CA SER A 830 2.174 3.267 11.711 1.00 0.85 C ATOM 836 C SER A 830 2.900 3.618 10.414 1.00 0.98 C ATOM 837 O SER A 830 3.351 2.726 9.689 1.00 1.93 O ATOM 838 CB SER A 830 3.167 3.108 12.869 1.00 0.89 C ATOM 839 OG SER A 830 3.931 4.286 13.073 1.00 1.58 O ATOM 0 H SER A 830 1.927 1.203 11.856 1.00 0.74 H new ATOM 0 HA SER A 830 1.487 4.075 11.965 1.00 0.85 H new ATOM 0 HB2 SER A 830 2.624 2.864 13.782 1.00 0.89 H new ATOM 0 HB3 SER A 830 3.836 2.272 12.662 1.00 0.89 H new ATOM 0 HG SER A 830 4.551 4.149 13.819 1.00 1.58 H new ATOM 845 N ASP A 831 2.929 4.901 10.082 1.00 0.62 N ATOM 846 CA ASP A 831 3.528 5.365 8.829 1.00 0.62 C ATOM 847 C ASP A 831 5.032 5.083 8.767 1.00 0.58 C ATOM 848 O ASP A 831 5.649 5.235 7.713 1.00 0.97 O ATOM 849 CB ASP A 831 3.256 6.863 8.604 1.00 0.86 C ATOM 850 CG ASP A 831 3.849 7.776 9.670 1.00 1.20 C ATOM 851 OD1 ASP A 831 4.447 7.275 10.642 1.00 1.79 O ATOM 852 OD2 ASP A 831 3.700 9.013 9.544 1.00 1.74 O ATOM 0 H ASP A 831 2.544 5.646 10.663 1.00 0.62 H new ATOM 0 HA ASP A 831 3.053 4.799 8.027 1.00 0.62 H new ATOM 0 HB2 ASP A 831 3.657 7.151 7.632 1.00 0.86 H new ATOM 0 HB3 ASP A 831 2.178 7.023 8.564 1.00 0.86 H new ATOM 857 N GLU A 832 5.612 4.668 9.888 1.00 0.50 N ATOM 858 CA GLU A 832 7.037 4.354 9.949 1.00 0.44 C ATOM 859 C GLU A 832 7.387 3.196 9.017 1.00 0.34 C ATOM 860 O GLU A 832 8.339 3.277 8.242 1.00 0.34 O ATOM 861 CB GLU A 832 7.443 4.000 11.378 1.00 0.56 C ATOM 862 CG GLU A 832 7.076 5.057 12.407 1.00 1.41 C ATOM 863 CD GLU A 832 7.808 6.373 12.219 1.00 2.19 C ATOM 864 OE1 GLU A 832 8.544 6.501 11.218 1.00 2.62 O ATOM 865 OE2 GLU A 832 7.659 7.283 13.063 1.00 2.93 O ATOM 0 H GLU A 832 5.116 4.541 10.770 1.00 0.50 H new ATOM 0 HA GLU A 832 7.586 5.239 9.625 1.00 0.44 H new ATOM 0 HB2 GLU A 832 6.970 3.058 11.656 1.00 0.56 H new ATOM 0 HB3 GLU A 832 8.520 3.837 11.409 1.00 0.56 H new ATOM 0 HG2 GLU A 832 6.002 5.239 12.360 1.00 1.41 H new ATOM 0 HG3 GLU A 832 7.291 4.671 13.403 1.00 1.41 H new ATOM 872 N ASP A 833 6.596 2.126 9.078 1.00 0.32 N ATOM 873 CA ASP A 833 6.826 0.956 8.231 1.00 0.29 C ATOM 874 C ASP A 833 6.692 1.345 6.766 1.00 0.24 C ATOM 875 O ASP A 833 7.465 0.900 5.913 1.00 0.23 O ATOM 876 CB ASP A 833 5.848 -0.181 8.555 1.00 0.38 C ATOM 877 CG ASP A 833 5.798 -0.522 10.033 1.00 1.21 C ATOM 878 OD1 ASP A 833 5.420 0.355 10.838 1.00 1.50 O ATOM 879 OD2 ASP A 833 6.150 -1.665 10.401 1.00 2.14 O ATOM 0 H ASP A 833 5.793 2.045 9.702 1.00 0.32 H new ATOM 0 HA ASP A 833 7.836 0.596 8.428 1.00 0.29 H new ATOM 0 HB2 ASP A 833 4.850 0.100 8.219 1.00 0.38 H new ATOM 0 HB3 ASP A 833 6.135 -1.070 7.993 1.00 0.38 H new ATOM 884 N TRP A 834 5.751 2.241 6.491 1.00 0.22 N ATOM 885 CA TRP A 834 5.579 2.771 5.148 1.00 0.20 C ATOM 886 C TRP A 834 6.807 3.573 4.731 1.00 0.19 C ATOM 887 O TRP A 834 7.262 3.477 3.595 1.00 0.18 O ATOM 888 CB TRP A 834 4.327 3.646 5.054 1.00 0.23 C ATOM 889 CG TRP A 834 4.242 4.386 3.753 1.00 0.22 C ATOM 890 CD1 TRP A 834 4.117 5.731 3.582 1.00 0.26 C ATOM 891 CD2 TRP A 834 4.317 3.819 2.440 1.00 0.19 C ATOM 892 NE1 TRP A 834 4.102 6.036 2.243 1.00 0.26 N ATOM 893 CE2 TRP A 834 4.225 4.881 1.524 1.00 0.22 C ATOM 894 CE3 TRP A 834 4.453 2.518 1.950 1.00 0.18 C ATOM 895 CZ2 TRP A 834 4.270 4.683 0.149 1.00 0.22 C ATOM 896 CZ3 TRP A 834 4.501 2.327 0.585 1.00 0.18 C ATOM 897 CH2 TRP A 834 4.411 3.400 -0.298 1.00 0.19 C ATOM 0 H TRP A 834 5.098 2.614 7.180 1.00 0.22 H new ATOM 0 HA TRP A 834 5.457 1.926 4.470 1.00 0.20 H new ATOM 0 HB2 TRP A 834 3.441 3.022 5.172 1.00 0.23 H new ATOM 0 HB3 TRP A 834 4.325 4.361 5.876 1.00 0.23 H new ATOM 0 HD1 TRP A 834 4.041 6.452 4.382 1.00 0.26 H new ATOM 0 HE1 TRP A 834 4.013 6.973 1.849 1.00 0.26 H new ATOM 0 HE3 TRP A 834 4.519 1.679 2.626 1.00 0.18 H new ATOM 0 HZ2 TRP A 834 4.196 5.512 -0.540 1.00 0.22 H new ATOM 0 HZ3 TRP A 834 4.610 1.326 0.194 1.00 0.18 H new ATOM 0 HH2 TRP A 834 4.454 3.213 -1.361 1.00 0.19 H new ATOM 908 N ASN A 835 7.357 4.344 5.660 1.00 0.22 N ATOM 909 CA ASN A 835 8.552 5.131 5.383 1.00 0.25 C ATOM 910 C ASN A 835 9.681 4.209 4.943 1.00 0.21 C ATOM 911 O ASN A 835 10.310 4.431 3.904 1.00 0.21 O ATOM 912 CB ASN A 835 8.977 5.928 6.616 1.00 0.34 C ATOM 913 CG ASN A 835 9.927 7.058 6.271 1.00 1.15 C ATOM 914 OD1 ASN A 835 9.551 8.009 5.584 1.00 1.66 O ATOM 915 ND2 ASN A 835 11.162 6.956 6.725 1.00 2.00 N ATOM 0 H ASN A 835 6.996 4.441 6.609 1.00 0.22 H new ATOM 0 HA ASN A 835 8.326 5.836 4.583 1.00 0.25 H new ATOM 0 HB2 ASN A 835 8.092 6.336 7.105 1.00 0.34 H new ATOM 0 HB3 ASN A 835 9.456 5.259 7.331 1.00 0.34 H new ATOM 0 HD21 ASN A 835 11.846 7.682 6.510 1.00 2.00 H new ATOM 0 HD22 ASN A 835 11.433 6.152 7.291 1.00 2.00 H new ATOM 922 N VAL A 836 9.816 3.096 5.660 1.00 0.22 N ATOM 923 CA VAL A 836 10.760 2.049 5.296 1.00 0.25 C ATOM 924 C VAL A 836 10.482 1.539 3.883 1.00 0.19 C ATOM 925 O VAL A 836 11.402 1.395 3.077 1.00 0.19 O ATOM 926 CB VAL A 836 10.694 0.864 6.285 1.00 0.39 C ATOM 927 CG1 VAL A 836 11.674 -0.231 5.892 1.00 1.36 C ATOM 928 CG2 VAL A 836 10.964 1.335 7.703 1.00 1.22 C ATOM 0 H VAL A 836 9.277 2.898 6.503 1.00 0.22 H new ATOM 0 HA VAL A 836 11.758 2.485 5.336 1.00 0.25 H new ATOM 0 HB VAL A 836 9.687 0.448 6.244 1.00 0.39 H new ATOM 0 HG11 VAL A 836 11.607 -1.053 6.605 1.00 1.36 H new ATOM 0 HG12 VAL A 836 11.431 -0.596 4.894 1.00 1.36 H new ATOM 0 HG13 VAL A 836 12.688 0.170 5.895 1.00 1.36 H new ATOM 0 HG21 VAL A 836 10.913 0.486 8.384 1.00 1.22 H new ATOM 0 HG22 VAL A 836 11.956 1.783 7.755 1.00 1.22 H new ATOM 0 HG23 VAL A 836 10.217 2.075 7.989 1.00 1.22 H new ATOM 938 N ALA A 837 9.205 1.304 3.579 1.00 0.16 N ATOM 939 CA ALA A 837 8.805 0.828 2.259 1.00 0.15 C ATOM 940 C ALA A 837 9.172 1.826 1.167 1.00 0.15 C ATOM 941 O ALA A 837 9.657 1.434 0.110 1.00 0.19 O ATOM 942 CB ALA A 837 7.315 0.533 2.214 1.00 0.17 C ATOM 0 H ALA A 837 8.432 1.436 4.231 1.00 0.16 H new ATOM 0 HA ALA A 837 9.352 -0.096 2.073 1.00 0.15 H new ATOM 0 HB1 ALA A 837 7.044 0.180 1.219 1.00 0.17 H new ATOM 0 HB2 ALA A 837 7.074 -0.234 2.950 1.00 0.17 H new ATOM 0 HB3 ALA A 837 6.757 1.442 2.441 1.00 0.17 H new ATOM 948 N LYS A 838 8.934 3.110 1.422 1.00 0.14 N ATOM 949 CA LYS A 838 9.264 4.152 0.451 1.00 0.19 C ATOM 950 C LYS A 838 10.749 4.116 0.125 1.00 0.20 C ATOM 951 O LYS A 838 11.138 4.068 -1.045 1.00 0.24 O ATOM 952 CB LYS A 838 8.906 5.544 0.974 1.00 0.23 C ATOM 953 CG LYS A 838 7.449 5.717 1.356 1.00 0.23 C ATOM 954 CD LYS A 838 7.055 7.186 1.369 1.00 0.40 C ATOM 955 CE LYS A 838 7.916 8.011 2.316 1.00 0.49 C ATOM 956 NZ LYS A 838 7.509 7.849 3.735 1.00 1.22 N ATOM 0 H LYS A 838 8.516 3.453 2.287 1.00 0.14 H new ATOM 0 HA LYS A 838 8.678 3.955 -0.447 1.00 0.19 H new ATOM 0 HB2 LYS A 838 9.525 5.761 1.845 1.00 0.23 H new ATOM 0 HB3 LYS A 838 9.158 6.281 0.211 1.00 0.23 H new ATOM 0 HG2 LYS A 838 6.819 5.175 0.651 1.00 0.23 H new ATOM 0 HG3 LYS A 838 7.274 5.282 2.340 1.00 0.23 H new ATOM 0 HD2 LYS A 838 7.139 7.591 0.360 1.00 0.40 H new ATOM 0 HD3 LYS A 838 6.009 7.276 1.662 1.00 0.40 H new ATOM 0 HE2 LYS A 838 8.960 7.717 2.204 1.00 0.49 H new ATOM 0 HE3 LYS A 838 7.850 9.063 2.040 1.00 0.49 H new ATOM 0 HZ1 LYS A 838 8.354 7.852 4.341 1.00 1.22 H new ATOM 0 HZ2 LYS A 838 6.884 8.634 4.009 1.00 1.22 H new ATOM 0 HZ3 LYS A 838 7.003 6.948 3.850 1.00 1.22 H new ATOM 970 N GLU A 839 11.572 4.078 1.170 1.00 0.21 N ATOM 971 CA GLU A 839 13.018 3.997 1.005 1.00 0.26 C ATOM 972 C GLU A 839 13.393 2.711 0.274 1.00 0.27 C ATOM 973 O GLU A 839 14.193 2.724 -0.657 1.00 0.31 O ATOM 974 CB GLU A 839 13.717 4.048 2.366 1.00 0.32 C ATOM 975 CG GLU A 839 13.287 5.221 3.234 1.00 0.47 C ATOM 976 CD GLU A 839 13.893 5.175 4.622 1.00 1.34 C ATOM 977 OE1 GLU A 839 13.819 4.111 5.273 1.00 2.22 O ATOM 978 OE2 GLU A 839 14.468 6.195 5.061 1.00 1.85 O ATOM 0 H GLU A 839 11.260 4.102 2.141 1.00 0.21 H new ATOM 0 HA GLU A 839 13.346 4.851 0.412 1.00 0.26 H new ATOM 0 HB2 GLU A 839 13.518 3.120 2.901 1.00 0.32 H new ATOM 0 HB3 GLU A 839 14.794 4.100 2.209 1.00 0.32 H new ATOM 0 HG2 GLU A 839 13.575 6.153 2.747 1.00 0.47 H new ATOM 0 HG3 GLU A 839 12.200 5.227 3.317 1.00 0.47 H new ATOM 985 N MET A 840 12.747 1.618 0.670 1.00 0.27 N ATOM 986 CA MET A 840 12.951 0.311 0.051 1.00 0.31 C ATOM 987 C MET A 840 12.667 0.358 -1.451 1.00 0.34 C ATOM 988 O MET A 840 13.508 -0.023 -2.263 1.00 0.40 O ATOM 989 CB MET A 840 12.032 -0.714 0.730 1.00 0.32 C ATOM 990 CG MET A 840 12.066 -2.106 0.116 1.00 0.36 C ATOM 991 SD MET A 840 10.863 -3.217 0.872 1.00 0.76 S ATOM 992 CE MET A 840 9.333 -2.361 0.492 1.00 0.35 C ATOM 0 H MET A 840 12.067 1.613 1.430 1.00 0.27 H new ATOM 0 HA MET A 840 13.993 0.020 0.182 1.00 0.31 H new ATOM 0 HB2 MET A 840 12.309 -0.789 1.782 1.00 0.32 H new ATOM 0 HB3 MET A 840 11.008 -0.342 0.696 1.00 0.32 H new ATOM 0 HG2 MET A 840 11.869 -2.034 -0.954 1.00 0.36 H new ATOM 0 HG3 MET A 840 13.066 -2.526 0.228 1.00 0.36 H new ATOM 0 HE1 MET A 840 8.900 -1.964 1.410 1.00 0.35 H new ATOM 0 HE2 MET A 840 9.536 -1.541 -0.197 1.00 0.35 H new ATOM 0 HE3 MET A 840 8.632 -3.057 0.031 1.00 0.35 H new ATOM 1002 N LEU A 841 11.488 0.842 -1.808 1.00 0.30 N ATOM 1003 CA LEU A 841 11.067 0.941 -3.201 1.00 0.35 C ATOM 1004 C LEU A 841 12.016 1.816 -4.012 1.00 0.39 C ATOM 1005 O LEU A 841 12.447 1.434 -5.100 1.00 0.50 O ATOM 1006 CB LEU A 841 9.650 1.519 -3.271 1.00 0.33 C ATOM 1007 CG LEU A 841 8.526 0.505 -3.503 1.00 0.35 C ATOM 1008 CD1 LEU A 841 8.650 -0.680 -2.566 1.00 0.62 C ATOM 1009 CD2 LEU A 841 7.171 1.171 -3.335 1.00 0.62 C ATOM 0 H LEU A 841 10.793 1.178 -1.141 1.00 0.30 H new ATOM 0 HA LEU A 841 11.083 -0.061 -3.629 1.00 0.35 H new ATOM 0 HB2 LEU A 841 9.448 2.050 -2.341 1.00 0.33 H new ATOM 0 HB3 LEU A 841 9.618 2.257 -4.072 1.00 0.33 H new ATOM 0 HG LEU A 841 8.614 0.135 -4.525 1.00 0.35 H new ATOM 0 HD11 LEU A 841 7.837 -1.381 -2.756 1.00 0.62 H new ATOM 0 HD12 LEU A 841 9.605 -1.178 -2.733 1.00 0.62 H new ATOM 0 HD13 LEU A 841 8.597 -0.335 -1.534 1.00 0.62 H new ATOM 0 HD21 LEU A 841 6.382 0.438 -3.503 1.00 0.62 H new ATOM 0 HD22 LEU A 841 7.085 1.572 -2.325 1.00 0.62 H new ATOM 0 HD23 LEU A 841 7.072 1.982 -4.057 1.00 0.62 H new ATOM 1021 N ALA A 842 12.296 3.008 -3.500 1.00 0.36 N ATOM 1022 CA ALA A 842 13.126 3.972 -4.212 1.00 0.44 C ATOM 1023 C ALA A 842 14.566 3.486 -4.359 1.00 0.52 C ATOM 1024 O ALA A 842 15.133 3.537 -5.449 1.00 0.61 O ATOM 1025 CB ALA A 842 13.092 5.320 -3.507 1.00 0.47 C ATOM 0 H ALA A 842 11.960 3.331 -2.593 1.00 0.36 H new ATOM 0 HA ALA A 842 12.714 4.082 -5.215 1.00 0.44 H new ATOM 0 HB1 ALA A 842 13.716 6.030 -4.049 1.00 0.47 H new ATOM 0 HB2 ALA A 842 12.067 5.688 -3.475 1.00 0.47 H new ATOM 0 HB3 ALA A 842 13.469 5.209 -2.490 1.00 0.47 H new ATOM 1031 N GLU A 843 15.164 3.059 -3.251 1.00 0.53 N ATOM 1032 CA GLU A 843 16.564 2.643 -3.246 1.00 0.66 C ATOM 1033 C GLU A 843 16.765 1.374 -4.070 1.00 0.71 C ATOM 1034 O GLU A 843 17.648 1.309 -4.925 1.00 0.81 O ATOM 1035 CB GLU A 843 17.041 2.411 -1.811 1.00 0.71 C ATOM 1036 CG GLU A 843 18.546 2.238 -1.689 1.00 1.45 C ATOM 1037 CD GLU A 843 19.297 3.490 -2.083 1.00 2.11 C ATOM 1038 OE1 GLU A 843 19.109 4.535 -1.426 1.00 2.92 O ATOM 1039 OE2 GLU A 843 20.089 3.432 -3.047 1.00 2.43 O ATOM 0 H GLU A 843 14.701 2.992 -2.344 1.00 0.53 H new ATOM 0 HA GLU A 843 17.153 3.441 -3.697 1.00 0.66 H new ATOM 0 HB2 GLU A 843 16.730 3.253 -1.193 1.00 0.71 H new ATOM 0 HB3 GLU A 843 16.549 1.524 -1.413 1.00 0.71 H new ATOM 0 HG2 GLU A 843 18.798 1.973 -0.662 1.00 1.45 H new ATOM 0 HG3 GLU A 843 18.867 1.409 -2.320 1.00 1.45 H new ATOM 1046 N ASN A 844 15.953 0.364 -3.794 1.00 0.67 N ATOM 1047 CA ASN A 844 16.049 -0.917 -4.482 1.00 0.80 C ATOM 1048 C ASN A 844 15.651 -0.794 -5.945 1.00 0.79 C ATOM 1049 O ASN A 844 16.207 -1.503 -6.780 1.00 1.11 O ATOM 1050 CB ASN A 844 15.217 -1.986 -3.782 1.00 0.85 C ATOM 1051 CG ASN A 844 15.821 -2.405 -2.457 1.00 0.97 C ATOM 1052 OD1 ASN A 844 16.910 -2.972 -2.406 1.00 1.53 O ATOM 1053 ND2 ASN A 844 15.125 -2.108 -1.377 1.00 1.15 N ATOM 0 H ASN A 844 15.214 0.407 -3.092 1.00 0.67 H new ATOM 0 HA ASN A 844 17.093 -1.227 -4.445 1.00 0.80 H new ATOM 0 HB2 ASN A 844 14.208 -1.608 -3.616 1.00 0.85 H new ATOM 0 HB3 ASN A 844 15.128 -2.857 -4.431 1.00 0.85 H new ATOM 0 HD21 ASN A 844 15.487 -2.350 -0.455 1.00 1.15 H new ATOM 0 HD22 ASN A 844 14.225 -1.637 -1.464 1.00 1.15 H new ATOM 1060 N ASN A 845 14.656 0.072 -6.216 1.00 0.62 N ATOM 1061 CA ASN A 845 14.129 0.341 -7.576 1.00 0.71 C ATOM 1062 C ASN A 845 12.937 -0.561 -7.896 1.00 0.61 C ATOM 1063 O ASN A 845 12.331 -0.451 -8.965 1.00 0.71 O ATOM 1064 CB ASN A 845 15.219 0.194 -8.670 1.00 0.92 C ATOM 1065 CG ASN A 845 14.969 -0.977 -9.619 1.00 1.38 C ATOM 1066 OD1 ASN A 845 14.544 -0.787 -10.760 1.00 1.90 O ATOM 1067 ND2 ASN A 845 15.201 -2.193 -9.143 1.00 1.48 N ATOM 0 H ASN A 845 14.187 0.614 -5.490 1.00 0.62 H new ATOM 0 HA ASN A 845 13.796 1.379 -7.579 1.00 0.71 H new ATOM 0 HB2 ASN A 845 15.270 1.117 -9.248 1.00 0.92 H new ATOM 0 HB3 ASN A 845 16.189 0.064 -8.191 1.00 0.92 H new ATOM 0 HD21 ASN A 845 15.027 -3.011 -9.727 1.00 1.48 H new ATOM 0 HD22 ASN A 845 15.553 -2.310 -8.193 1.00 1.48 H new ATOM 1074 N GLU A 846 12.613 -1.468 -6.985 1.00 0.55 N ATOM 1075 CA GLU A 846 11.558 -2.440 -7.240 1.00 0.63 C ATOM 1076 C GLU A 846 10.228 -1.738 -7.488 1.00 0.73 C ATOM 1077 O GLU A 846 9.667 -1.837 -8.579 1.00 1.49 O ATOM 1078 CB GLU A 846 11.448 -3.418 -6.078 1.00 0.77 C ATOM 1079 CG GLU A 846 12.791 -3.895 -5.549 1.00 1.40 C ATOM 1080 CD GLU A 846 13.498 -4.850 -6.490 1.00 2.19 C ATOM 1081 OE1 GLU A 846 13.745 -4.464 -7.647 1.00 2.97 O ATOM 1082 OE2 GLU A 846 13.796 -5.994 -6.082 1.00 2.54 O ATOM 0 H GLU A 846 13.060 -1.552 -6.072 1.00 0.55 H new ATOM 0 HA GLU A 846 11.814 -3.002 -8.138 1.00 0.63 H new ATOM 0 HB2 GLU A 846 10.896 -2.943 -5.267 1.00 0.77 H new ATOM 0 HB3 GLU A 846 10.866 -4.282 -6.397 1.00 0.77 H new ATOM 0 HG2 GLU A 846 13.431 -3.031 -5.370 1.00 1.40 H new ATOM 0 HG3 GLU A 846 12.642 -4.386 -4.587 1.00 1.40 H new ATOM 1089 N LYS A 847 9.809 -0.934 -6.514 1.00 0.42 N ATOM 1090 CA LYS A 847 8.636 -0.058 -6.634 1.00 0.37 C ATOM 1091 C LYS A 847 7.314 -0.828 -6.715 1.00 0.35 C ATOM 1092 O LYS A 847 6.257 -0.275 -6.405 1.00 0.44 O ATOM 1093 CB LYS A 847 8.782 0.880 -7.833 1.00 0.44 C ATOM 1094 CG LYS A 847 7.740 1.990 -7.876 1.00 0.63 C ATOM 1095 CD LYS A 847 7.921 2.884 -9.090 1.00 1.29 C ATOM 1096 CE LYS A 847 7.714 2.115 -10.383 1.00 1.80 C ATOM 1097 NZ LYS A 847 7.778 2.999 -11.574 1.00 2.40 N ATOM 0 H LYS A 847 10.275 -0.868 -5.609 1.00 0.42 H new ATOM 0 HA LYS A 847 8.598 0.531 -5.718 1.00 0.37 H new ATOM 0 HB2 LYS A 847 9.776 1.328 -7.813 1.00 0.44 H new ATOM 0 HB3 LYS A 847 8.714 0.295 -8.750 1.00 0.44 H new ATOM 0 HG2 LYS A 847 6.742 1.552 -7.892 1.00 0.63 H new ATOM 0 HG3 LYS A 847 7.810 2.590 -6.969 1.00 0.63 H new ATOM 0 HD2 LYS A 847 7.215 3.713 -9.041 1.00 1.29 H new ATOM 0 HD3 LYS A 847 8.921 3.317 -9.079 1.00 1.29 H new ATOM 0 HE2 LYS A 847 8.473 1.338 -10.468 1.00 1.80 H new ATOM 0 HE3 LYS A 847 6.746 1.614 -10.355 1.00 1.80 H new ATOM 0 HZ1 LYS A 847 7.632 2.433 -12.434 1.00 2.40 H new ATOM 0 HZ2 LYS A 847 7.037 3.726 -11.507 1.00 2.40 H new ATOM 0 HZ3 LYS A 847 8.710 3.458 -11.616 1.00 2.40 H new ATOM 1111 N PHE A 848 7.364 -2.077 -7.158 1.00 0.32 N ATOM 1112 CA PHE A 848 6.160 -2.885 -7.269 1.00 0.30 C ATOM 1113 C PHE A 848 5.557 -3.077 -5.893 1.00 0.24 C ATOM 1114 O PHE A 848 6.227 -3.552 -4.975 1.00 0.21 O ATOM 1115 CB PHE A 848 6.467 -4.253 -7.884 1.00 0.31 C ATOM 1116 CG PHE A 848 5.315 -4.847 -8.651 1.00 0.35 C ATOM 1117 CD1 PHE A 848 5.114 -4.502 -9.979 1.00 0.46 C ATOM 1118 CD2 PHE A 848 4.443 -5.760 -8.062 1.00 0.35 C ATOM 1119 CE1 PHE A 848 4.074 -5.050 -10.704 1.00 0.54 C ATOM 1120 CE2 PHE A 848 3.403 -6.310 -8.788 1.00 0.42 C ATOM 1121 CZ PHE A 848 3.219 -5.953 -10.109 1.00 0.52 C ATOM 0 H PHE A 848 8.221 -2.550 -7.445 1.00 0.32 H new ATOM 0 HA PHE A 848 5.456 -2.366 -7.920 1.00 0.30 H new ATOM 0 HB2 PHE A 848 7.324 -4.157 -8.550 1.00 0.31 H new ATOM 0 HB3 PHE A 848 6.756 -4.941 -7.090 1.00 0.31 H new ATOM 0 HD1 PHE A 848 5.780 -3.795 -10.453 1.00 0.46 H new ATOM 0 HD2 PHE A 848 4.581 -6.041 -7.028 1.00 0.35 H new ATOM 0 HE1 PHE A 848 3.931 -4.771 -11.737 1.00 0.54 H new ATOM 0 HE2 PHE A 848 2.735 -7.019 -8.322 1.00 0.42 H new ATOM 0 HZ PHE A 848 2.406 -6.381 -10.676 1.00 0.52 H new ATOM 1131 N LEU A 849 4.302 -2.714 -5.752 1.00 0.22 N ATOM 1132 CA LEU A 849 3.641 -2.796 -4.474 1.00 0.18 C ATOM 1133 C LEU A 849 2.341 -3.565 -4.621 1.00 0.17 C ATOM 1134 O LEU A 849 1.587 -3.381 -5.576 1.00 0.19 O ATOM 1135 CB LEU A 849 3.358 -1.390 -3.924 1.00 0.20 C ATOM 1136 CG LEU A 849 3.781 -1.134 -2.473 1.00 0.24 C ATOM 1137 CD1 LEU A 849 3.338 0.250 -2.033 1.00 0.56 C ATOM 1138 CD2 LEU A 849 3.209 -2.184 -1.542 1.00 0.55 C ATOM 0 H LEU A 849 3.719 -2.359 -6.510 1.00 0.22 H new ATOM 0 HA LEU A 849 4.293 -3.317 -3.773 1.00 0.18 H new ATOM 0 HB2 LEU A 849 3.863 -0.664 -4.561 1.00 0.20 H new ATOM 0 HB3 LEU A 849 2.288 -1.198 -4.008 1.00 0.20 H new ATOM 0 HG LEU A 849 4.868 -1.193 -2.424 1.00 0.24 H new ATOM 0 HD11 LEU A 849 3.645 0.419 -1.001 1.00 0.56 H new ATOM 0 HD12 LEU A 849 3.798 1.001 -2.676 1.00 0.56 H new ATOM 0 HD13 LEU A 849 2.253 0.325 -2.106 1.00 0.56 H new ATOM 0 HD21 LEU A 849 3.526 -1.976 -0.520 1.00 0.55 H new ATOM 0 HD22 LEU A 849 2.121 -2.163 -1.595 1.00 0.55 H new ATOM 0 HD23 LEU A 849 3.568 -3.169 -1.840 1.00 0.55 H new ATOM 1150 N ASN A 850 2.084 -4.413 -3.658 1.00 0.16 N ATOM 1151 CA ASN A 850 0.863 -5.187 -3.615 1.00 0.17 C ATOM 1152 C ASN A 850 0.235 -4.993 -2.257 1.00 0.17 C ATOM 1153 O ASN A 850 0.935 -4.690 -1.297 1.00 0.16 O ATOM 1154 CB ASN A 850 1.135 -6.668 -3.873 1.00 0.19 C ATOM 1155 CG ASN A 850 1.423 -6.963 -5.330 1.00 0.34 C ATOM 1156 OD1 ASN A 850 2.679 -7.244 -5.638 1.00 0.96 O flip ATOM 1157 ND2 ASN A 850 0.533 -6.916 -6.176 1.00 0.45 N flip ATOM 0 H ASN A 850 2.716 -4.589 -2.877 1.00 0.16 H new ATOM 0 HA ASN A 850 0.186 -4.846 -4.398 1.00 0.17 H new ATOM 0 HB2 ASN A 850 1.982 -6.989 -3.267 1.00 0.19 H new ATOM 0 HB3 ASN A 850 0.273 -7.253 -3.551 1.00 0.19 H new ATOM 0 HD21 ASN A 850 -0.423 -6.696 -5.898 1.00 0.45 H new ATOM 0 HD22 ASN A 850 0.751 -7.097 -7.156 1.00 0.45 H new ATOM 1164 N ILE A 851 -1.076 -4.982 -2.208 1.00 0.18 N ATOM 1165 CA ILE A 851 -1.774 -4.607 -0.994 1.00 0.21 C ATOM 1166 C ILE A 851 -2.754 -5.693 -0.627 1.00 0.24 C ATOM 1167 O ILE A 851 -3.549 -6.130 -1.456 1.00 0.26 O ATOM 1168 CB ILE A 851 -2.575 -3.297 -1.175 1.00 0.25 C ATOM 1169 CG1 ILE A 851 -1.976 -2.415 -2.270 1.00 0.24 C ATOM 1170 CG2 ILE A 851 -2.643 -2.525 0.125 1.00 0.35 C ATOM 1171 CD1 ILE A 851 -0.623 -1.819 -1.939 1.00 0.28 C ATOM 0 H ILE A 851 -1.682 -5.227 -2.991 1.00 0.18 H new ATOM 0 HA ILE A 851 -1.024 -4.463 -0.217 1.00 0.21 H new ATOM 0 HB ILE A 851 -3.584 -3.577 -1.478 1.00 0.25 H new ATOM 0 HG12 ILE A 851 -1.884 -3.005 -3.182 1.00 0.24 H new ATOM 0 HG13 ILE A 851 -2.672 -1.604 -2.484 1.00 0.24 H new ATOM 0 HG21 ILE A 851 -3.211 -1.607 -0.026 1.00 0.35 H new ATOM 0 HG22 ILE A 851 -3.133 -3.134 0.885 1.00 0.35 H new ATOM 0 HG23 ILE A 851 -1.634 -2.277 0.454 1.00 0.35 H new ATOM 0 HD11 ILE A 851 -0.279 -1.210 -2.775 1.00 0.28 H new ATOM 0 HD12 ILE A 851 -0.707 -1.198 -1.048 1.00 0.28 H new ATOM 0 HD13 ILE A 851 0.093 -2.620 -1.756 1.00 0.28 H new ATOM 1183 N ARG A 852 -2.628 -6.196 0.578 1.00 0.30 N ATOM 1184 CA ARG A 852 -3.453 -7.277 1.025 1.00 0.37 C ATOM 1185 C ARG A 852 -4.431 -6.818 2.082 1.00 0.39 C ATOM 1186 O ARG A 852 -4.038 -6.437 3.186 1.00 0.43 O ATOM 1187 CB ARG A 852 -2.591 -8.388 1.581 1.00 0.46 C ATOM 1188 CG ARG A 852 -3.364 -9.628 1.995 1.00 0.60 C ATOM 1189 CD ARG A 852 -2.411 -10.698 2.480 1.00 0.70 C ATOM 1190 NE ARG A 852 -3.093 -11.857 3.054 1.00 1.27 N ATOM 1191 CZ ARG A 852 -2.541 -13.067 3.147 1.00 1.63 C ATOM 1192 NH1 ARG A 852 -1.374 -13.312 2.561 1.00 1.72 N ATOM 1193 NH2 ARG A 852 -3.167 -14.037 3.801 1.00 2.38 N ATOM 0 H ARG A 852 -1.953 -5.865 1.268 1.00 0.30 H new ATOM 0 HA ARG A 852 -4.019 -7.645 0.169 1.00 0.37 H new ATOM 0 HB2 ARG A 852 -1.851 -8.668 0.831 1.00 0.46 H new ATOM 0 HB3 ARG A 852 -2.043 -8.010 2.444 1.00 0.46 H new ATOM 0 HG2 ARG A 852 -4.073 -9.377 2.784 1.00 0.60 H new ATOM 0 HG3 ARG A 852 -3.944 -10.002 1.152 1.00 0.60 H new ATOM 0 HD2 ARG A 852 -1.788 -11.026 1.648 1.00 0.70 H new ATOM 0 HD3 ARG A 852 -1.744 -10.270 3.228 1.00 0.70 H new ATOM 0 HE ARG A 852 -4.044 -11.733 3.403 1.00 1.27 H new ATOM 0 HH11 ARG A 852 -0.900 -12.574 2.040 1.00 1.72 H new ATOM 0 HH12 ARG A 852 -0.952 -14.238 2.632 1.00 1.72 H new ATOM 0 HH21 ARG A 852 -4.073 -13.858 4.234 1.00 2.38 H new ATOM 0 HH22 ARG A 852 -2.742 -14.962 3.871 1.00 2.38 H new ATOM 1207 N LEU A 853 -5.690 -7.045 1.803 1.00 0.46 N ATOM 1208 CA LEU A 853 -6.727 -6.873 2.790 1.00 0.54 C ATOM 1209 C LEU A 853 -7.087 -8.246 3.312 1.00 0.63 C ATOM 1210 O LEU A 853 -7.306 -9.168 2.522 1.00 1.15 O ATOM 1211 CB LEU A 853 -7.951 -6.195 2.194 1.00 0.71 C ATOM 1212 CG LEU A 853 -7.742 -4.801 1.585 1.00 0.59 C ATOM 1213 CD1 LEU A 853 -6.945 -3.911 2.523 1.00 1.12 C ATOM 1214 CD2 LEU A 853 -7.069 -4.896 0.223 1.00 1.56 C ATOM 0 H LEU A 853 -6.024 -7.353 0.890 1.00 0.46 H new ATOM 0 HA LEU A 853 -6.370 -6.232 3.596 1.00 0.54 H new ATOM 0 HB2 LEU A 853 -8.357 -6.846 1.420 1.00 0.71 H new ATOM 0 HB3 LEU A 853 -8.709 -6.115 2.974 1.00 0.71 H new ATOM 0 HG LEU A 853 -8.723 -4.347 1.444 1.00 0.59 H new ATOM 0 HD11 LEU A 853 -6.811 -2.930 2.068 1.00 1.12 H new ATOM 0 HD12 LEU A 853 -7.481 -3.803 3.466 1.00 1.12 H new ATOM 0 HD13 LEU A 853 -5.970 -4.360 2.710 1.00 1.12 H new ATOM 0 HD21 LEU A 853 -6.933 -3.895 -0.186 1.00 1.56 H new ATOM 0 HD22 LEU A 853 -6.098 -5.380 0.330 1.00 1.56 H new ATOM 0 HD23 LEU A 853 -7.694 -5.482 -0.451 1.00 1.56 H new ATOM 1226 N TYR A 854 -6.980 -8.439 4.608 1.00 0.99 N ATOM 1227 CA TYR A 854 -7.154 -9.762 5.174 1.00 1.08 C ATOM 1228 C TYR A 854 -8.072 -9.706 6.387 1.00 1.25 C ATOM 1229 O TYR A 854 -8.417 -10.779 6.921 1.00 1.67 O ATOM 1230 CB TYR A 854 -5.779 -10.370 5.523 1.00 0.91 C ATOM 1231 CG TYR A 854 -4.983 -9.591 6.553 1.00 0.77 C ATOM 1232 CD1 TYR A 854 -5.420 -9.508 7.867 1.00 0.88 C ATOM 1233 CD2 TYR A 854 -3.803 -8.935 6.215 1.00 0.90 C ATOM 1234 CE1 TYR A 854 -4.707 -8.798 8.813 1.00 0.93 C ATOM 1235 CE2 TYR A 854 -3.084 -8.225 7.155 1.00 0.86 C ATOM 1236 CZ TYR A 854 -3.505 -8.167 8.431 1.00 0.79 C ATOM 1237 OH TYR A 854 -2.828 -7.449 9.391 1.00 0.92 O ATOM 1238 OXT TYR A 854 -8.465 -8.585 6.785 1.00 1.77 O ATOM 0 H TYR A 854 -6.775 -7.705 5.286 1.00 0.99 H new ATOM 0 HA TYR A 854 -7.629 -10.409 4.437 1.00 1.08 H new ATOM 0 HB2 TYR A 854 -5.929 -11.385 5.892 1.00 0.91 H new ATOM 0 HB3 TYR A 854 -5.189 -10.447 4.610 1.00 0.91 H new ATOM 0 HD1 TYR A 854 -6.333 -10.007 8.155 1.00 0.88 H new ATOM 0 HD2 TYR A 854 -3.443 -8.982 5.198 1.00 0.90 H new ATOM 0 HE1 TYR A 854 -5.064 -8.727 9.830 1.00 0.93 H new ATOM 0 HE2 TYR A 854 -2.178 -7.713 6.864 1.00 0.86 H new ATOM 0 HH TYR A 854 -2.995 -7.843 10.273 1.00 0.92 H new