USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 514 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 782 THR OG1 : rot -61:sc= 1.26 USER MOD Set 1.2: A 850 ASN : amide:sc= 0.241 K(o=1.5,f=-3) USER MOD Single : A 787 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN : amide:sc= -6.39! C(o=-6.4!,f=-7.3!) USER MOD Single : A 796 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 799 ASN :FLIP amide:sc= -0.124 F(o=-0.71,f=-0.12) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 803 SER OG : rot -7:sc= 1.05 USER MOD Single : A 814 THR OG1 : rot 180:sc=-0.00123 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 LYS NZ :NH3+ 147:sc= -0.576 (180deg=-1.7!) USER MOD Single : A 818 TYR OH : rot 135:sc= 0.285 USER MOD Single : A 819 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 830 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -0.0374 K(o=-0.037,f=-1.3) USER MOD Single : A 838 LYS NZ :NH3+ -154:sc= 0.293 (180deg=-0.512) USER MOD Single : A 840 MET CE :methyl -139:sc= -0.634 (180deg=-0.845) USER MOD Single : A 844 ASN : amide:sc= -0.795 X(o=-0.8,f=-0.39) USER MOD Single : A 845 ASN : amide:sc= -0.0492 X(o=-0.049,f=-0.31) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ILE A 780 -4.724 4.238 3.764 1.00 0.79 N ATOM 56 CA ILE A 780 -4.834 2.824 3.427 1.00 0.51 C ATOM 57 C ILE A 780 -4.318 2.554 2.020 1.00 0.46 C ATOM 58 O ILE A 780 -4.005 3.482 1.273 1.00 0.53 O ATOM 59 CB ILE A 780 -6.292 2.326 3.529 1.00 0.43 C ATOM 60 CG1 ILE A 780 -7.218 3.453 3.992 1.00 0.64 C ATOM 61 CG2 ILE A 780 -6.380 1.139 4.476 1.00 0.58 C ATOM 62 CD1 ILE A 780 -7.815 4.251 2.852 1.00 1.22 C ATOM 0 HA ILE A 780 -4.223 2.282 4.149 1.00 0.51 H new ATOM 0 HB ILE A 780 -6.616 2.005 2.539 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -8.025 3.028 4.589 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -6.661 4.126 4.643 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -7.414 0.799 4.538 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -5.753 0.329 4.103 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -6.036 1.437 5.466 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -8.460 5.032 3.254 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -7.015 4.706 2.268 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -8.400 3.590 2.213 1.00 1.22 H new ATOM 74 N PHE A 781 -4.232 1.275 1.659 1.00 0.39 N ATOM 75 CA PHE A 781 -3.759 0.880 0.342 1.00 0.36 C ATOM 76 C PHE A 781 -4.431 -0.416 -0.091 1.00 0.30 C ATOM 77 O PHE A 781 -3.908 -1.506 0.135 1.00 0.35 O ATOM 78 CB PHE A 781 -2.238 0.714 0.352 1.00 0.41 C ATOM 79 CG PHE A 781 -1.530 1.544 -0.685 1.00 0.45 C ATOM 80 CD1 PHE A 781 -1.908 2.856 -0.926 1.00 0.73 C ATOM 81 CD2 PHE A 781 -0.482 1.007 -1.415 1.00 0.81 C ATOM 82 CE1 PHE A 781 -1.255 3.616 -1.877 1.00 0.80 C ATOM 83 CE2 PHE A 781 0.175 1.764 -2.368 1.00 0.94 C ATOM 84 CZ PHE A 781 -0.213 3.069 -2.600 1.00 0.73 C ATOM 0 H PHE A 781 -4.486 0.495 2.266 1.00 0.39 H new ATOM 0 HA PHE A 781 -4.018 1.662 -0.372 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -1.859 0.981 1.338 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -1.995 -0.336 0.191 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -2.722 3.289 -0.364 1.00 0.73 H new ATOM 0 HD2 PHE A 781 -0.175 -0.013 -1.238 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -1.559 4.637 -2.055 1.00 0.80 H new ATOM 0 HE2 PHE A 781 0.991 1.335 -2.930 1.00 0.94 H new ATOM 0 HZ PHE A 781 0.297 3.661 -3.345 1.00 0.73 H new ATOM 94 N THR A 782 -5.599 -0.285 -0.706 1.00 0.28 N ATOM 95 CA THR A 782 -6.358 -1.442 -1.163 1.00 0.29 C ATOM 96 C THR A 782 -6.139 -1.696 -2.649 1.00 0.35 C ATOM 97 O THR A 782 -6.598 -0.929 -3.497 1.00 0.52 O ATOM 98 CB THR A 782 -7.868 -1.260 -0.912 1.00 0.41 C ATOM 99 OG1 THR A 782 -8.094 -0.123 -0.072 1.00 0.67 O ATOM 100 CG2 THR A 782 -8.462 -2.503 -0.266 1.00 0.44 C ATOM 0 H THR A 782 -6.042 0.613 -0.900 1.00 0.28 H new ATOM 0 HA THR A 782 -5.997 -2.297 -0.591 1.00 0.29 H new ATOM 0 HB THR A 782 -8.357 -1.101 -1.873 1.00 0.41 H new ATOM 0 HG1 THR A 782 -7.657 -0.264 0.794 1.00 0.67 H new ATOM 0 HG21 THR A 782 -9.528 -2.352 -0.098 1.00 0.44 H new ATOM 0 HG22 THR A 782 -8.316 -3.360 -0.924 1.00 0.44 H new ATOM 0 HG23 THR A 782 -7.968 -2.689 0.687 1.00 0.44 H new ATOM 108 N LEU A 783 -5.435 -2.781 -2.954 1.00 0.40 N ATOM 109 CA LEU A 783 -5.152 -3.147 -4.338 1.00 0.56 C ATOM 110 C LEU A 783 -5.822 -4.466 -4.694 1.00 0.58 C ATOM 111 O LEU A 783 -6.661 -4.973 -3.946 1.00 0.99 O ATOM 112 CB LEU A 783 -3.643 -3.264 -4.570 1.00 0.67 C ATOM 113 CG LEU A 783 -2.759 -2.753 -3.431 1.00 0.94 C ATOM 114 CD1 LEU A 783 -1.766 -3.826 -3.011 1.00 1.57 C ATOM 115 CD2 LEU A 783 -2.032 -1.485 -3.851 1.00 1.53 C ATOM 0 H LEU A 783 -5.050 -3.423 -2.261 1.00 0.40 H new ATOM 0 HA LEU A 783 -5.551 -2.360 -4.978 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -3.401 -4.311 -4.752 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -3.389 -2.716 -5.477 1.00 0.67 H new ATOM 0 HG LEU A 783 -3.393 -2.517 -2.577 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -1.144 -3.448 -2.200 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -2.307 -4.710 -2.672 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -1.135 -4.090 -3.860 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -1.407 -1.135 -3.029 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -1.406 -1.695 -4.719 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -2.761 -0.716 -4.107 1.00 1.53 H new ATOM 127 N LEU A 784 -5.439 -5.022 -5.835 1.00 0.27 N ATOM 128 CA LEU A 784 -5.989 -6.289 -6.291 1.00 0.26 C ATOM 129 C LEU A 784 -4.876 -7.325 -6.434 1.00 0.23 C ATOM 130 O LEU A 784 -4.088 -7.280 -7.379 1.00 0.29 O ATOM 131 CB LEU A 784 -6.729 -6.098 -7.614 1.00 0.31 C ATOM 132 CG LEU A 784 -6.773 -7.318 -8.540 1.00 0.51 C ATOM 133 CD1 LEU A 784 -8.071 -8.088 -8.346 1.00 0.81 C ATOM 134 CD2 LEU A 784 -6.616 -6.892 -9.991 1.00 0.75 C ATOM 0 H LEU A 784 -4.747 -4.613 -6.463 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.702 -6.653 -5.551 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -7.753 -5.796 -7.395 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -6.262 -5.274 -8.153 1.00 0.31 H new ATOM 0 HG LEU A 784 -5.942 -7.975 -8.284 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -8.085 -8.951 -9.012 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -8.143 -8.426 -7.312 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -8.917 -7.439 -8.575 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -6.650 -7.771 -10.634 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -7.426 -6.214 -10.261 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -5.660 -6.385 -10.120 1.00 0.75 H new ATOM 146 N VAL A 785 -4.810 -8.245 -5.479 1.00 0.25 N ATOM 147 CA VAL A 785 -3.785 -9.281 -5.490 1.00 0.30 C ATOM 148 C VAL A 785 -4.314 -10.574 -6.102 1.00 0.34 C ATOM 149 O VAL A 785 -5.493 -10.677 -6.440 1.00 0.55 O ATOM 150 CB VAL A 785 -3.263 -9.563 -4.069 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.624 -8.313 -3.479 1.00 1.11 C ATOM 152 CG2 VAL A 785 -4.384 -10.068 -3.174 1.00 1.18 C ATOM 0 H VAL A 785 -5.453 -8.295 -4.689 1.00 0.25 H new ATOM 0 HA VAL A 785 -2.962 -8.911 -6.102 1.00 0.30 H new ATOM 0 HB VAL A 785 -2.502 -10.341 -4.131 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.260 -8.530 -2.475 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -1.790 -8.000 -4.107 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -3.364 -7.514 -3.433 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -3.993 -10.261 -2.175 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -5.171 -9.316 -3.117 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -4.793 -10.990 -3.588 1.00 1.18 H new ATOM 162 N GLU A 786 -3.430 -11.558 -6.244 1.00 0.38 N ATOM 163 CA GLU A 786 -3.804 -12.845 -6.820 1.00 0.42 C ATOM 164 C GLU A 786 -3.365 -13.992 -5.913 1.00 0.46 C ATOM 165 O GLU A 786 -2.519 -13.813 -5.035 1.00 0.48 O ATOM 166 CB GLU A 786 -3.179 -13.003 -8.207 1.00 0.43 C ATOM 167 CG GLU A 786 -4.082 -13.709 -9.207 1.00 0.56 C ATOM 168 CD GLU A 786 -4.405 -12.846 -10.411 1.00 0.75 C ATOM 169 OE1 GLU A 786 -5.214 -11.906 -10.268 1.00 1.40 O ATOM 170 OE2 GLU A 786 -3.846 -13.110 -11.496 1.00 1.02 O ATOM 0 H GLU A 786 -2.451 -11.488 -5.968 1.00 0.38 H new ATOM 0 HA GLU A 786 -4.890 -12.877 -6.914 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -2.923 -12.017 -8.595 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.247 -13.561 -8.115 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -3.599 -14.627 -9.542 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -5.009 -13.998 -8.713 1.00 0.56 H new ATOM 177 N LYS A 787 -3.944 -15.171 -6.131 1.00 0.51 N ATOM 178 CA LYS A 787 -3.613 -16.348 -5.333 1.00 0.57 C ATOM 179 C LYS A 787 -2.260 -16.921 -5.744 1.00 0.60 C ATOM 180 O LYS A 787 -1.823 -17.949 -5.222 1.00 1.07 O ATOM 181 CB LYS A 787 -4.699 -17.414 -5.483 1.00 0.64 C ATOM 182 CG LYS A 787 -4.844 -17.943 -6.901 1.00 1.29 C ATOM 183 CD LYS A 787 -6.187 -17.567 -7.502 1.00 1.49 C ATOM 184 CE LYS A 787 -6.026 -16.601 -8.664 1.00 2.24 C ATOM 185 NZ LYS A 787 -6.227 -17.272 -9.978 1.00 2.85 N ATOM 0 H LYS A 787 -4.645 -15.336 -6.854 1.00 0.51 H new ATOM 0 HA LYS A 787 -3.556 -16.043 -4.288 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -4.474 -18.246 -4.816 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -5.653 -16.996 -5.161 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -4.042 -17.545 -7.523 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -4.737 -19.028 -6.898 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -6.699 -18.467 -7.844 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -6.816 -17.114 -6.735 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -6.742 -15.786 -8.560 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -5.031 -16.157 -8.632 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -6.109 -16.578 -10.744 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -5.528 -18.034 -10.089 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -7.186 -17.673 -10.020 1.00 2.85 H new ATOM 199 N VAL A 788 -1.601 -16.247 -6.679 1.00 0.29 N ATOM 200 CA VAL A 788 -0.296 -16.679 -7.165 1.00 0.29 C ATOM 201 C VAL A 788 0.798 -15.726 -6.692 1.00 0.26 C ATOM 202 O VAL A 788 1.972 -16.091 -6.620 1.00 0.29 O ATOM 203 CB VAL A 788 -0.277 -16.753 -8.707 1.00 0.32 C ATOM 204 CG1 VAL A 788 -0.778 -15.450 -9.311 1.00 0.31 C ATOM 205 CG2 VAL A 788 1.117 -17.082 -9.220 1.00 0.33 C ATOM 0 H VAL A 788 -1.951 -15.395 -7.118 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.107 -17.673 -6.760 1.00 0.29 H new ATOM 0 HB VAL A 788 -0.947 -17.556 -9.015 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -0.757 -15.521 -10.398 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -1.799 -15.264 -8.979 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.137 -14.629 -8.989 1.00 0.31 H new ATOM 0 HG21 VAL A 788 1.102 -17.128 -10.309 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.815 -16.309 -8.899 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.434 -18.045 -8.820 1.00 0.33 H new ATOM 215 N TRP A 789 0.398 -14.499 -6.375 1.00 0.21 N ATOM 216 CA TRP A 789 1.331 -13.479 -5.915 1.00 0.18 C ATOM 217 C TRP A 789 2.062 -13.907 -4.651 1.00 0.18 C ATOM 218 O TRP A 789 1.438 -14.200 -3.630 1.00 0.19 O ATOM 219 CB TRP A 789 0.594 -12.172 -5.644 1.00 0.18 C ATOM 220 CG TRP A 789 0.267 -11.409 -6.885 1.00 0.20 C ATOM 221 CD1 TRP A 789 0.250 -11.890 -8.162 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.087 -10.027 -6.969 1.00 0.22 C ATOM 223 NE1 TRP A 789 -0.093 -10.891 -9.034 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.307 -9.735 -8.327 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.241 -9.009 -6.025 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -0.671 -8.464 -8.765 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.601 -7.749 -6.457 1.00 0.28 C ATOM 228 CH2 TRP A 789 -0.815 -7.485 -7.819 1.00 0.30 C ATOM 0 H TRP A 789 -0.571 -14.187 -6.429 1.00 0.21 H new ATOM 0 HA TRP A 789 2.066 -13.337 -6.707 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.329 -12.388 -5.105 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.205 -11.547 -4.992 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.474 -12.908 -8.444 1.00 0.22 H new ATOM 0 HE1 TRP A 789 -0.176 -10.990 -10.046 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.081 -9.205 -4.975 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -0.834 -8.258 -9.813 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -0.720 -6.954 -5.736 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -1.099 -6.489 -8.127 1.00 0.30 H new ATOM 239 N ASN A 790 3.386 -13.904 -4.717 1.00 0.18 N ATOM 240 CA ASN A 790 4.207 -14.254 -3.568 1.00 0.20 C ATOM 241 C ASN A 790 4.637 -12.973 -2.861 1.00 0.18 C ATOM 242 O ASN A 790 4.589 -11.899 -3.456 1.00 0.20 O ATOM 243 CB ASN A 790 5.417 -15.086 -4.009 1.00 0.24 C ATOM 244 CG ASN A 790 6.688 -14.273 -4.147 1.00 0.93 C ATOM 245 OD1 ASN A 790 7.517 -14.238 -3.239 1.00 1.89 O ATOM 246 ND2 ASN A 790 6.855 -13.630 -5.297 1.00 0.77 N ATOM 0 H ASN A 790 3.914 -13.663 -5.555 1.00 0.18 H new ATOM 0 HA ASN A 790 3.632 -14.864 -2.872 1.00 0.20 H new ATOM 0 HB2 ASN A 790 5.582 -15.885 -3.286 1.00 0.24 H new ATOM 0 HB3 ASN A 790 5.193 -15.561 -4.964 1.00 0.24 H new ATOM 0 HD21 ASN A 790 7.698 -13.078 -5.455 1.00 0.77 H new ATOM 0 HD22 ASN A 790 6.140 -13.688 -6.022 1.00 0.77 H new ATOM 253 N PHE A 791 5.029 -13.080 -1.592 1.00 0.20 N ATOM 254 CA PHE A 791 5.438 -11.905 -0.817 1.00 0.20 C ATOM 255 C PHE A 791 6.319 -10.977 -1.643 1.00 0.16 C ATOM 256 O PHE A 791 6.242 -9.756 -1.510 1.00 0.17 O ATOM 257 CB PHE A 791 6.165 -12.333 0.460 1.00 0.26 C ATOM 258 CG PHE A 791 6.675 -11.182 1.281 1.00 0.35 C ATOM 259 CD1 PHE A 791 5.798 -10.246 1.809 1.00 0.44 C ATOM 260 CD2 PHE A 791 8.031 -11.035 1.525 1.00 0.47 C ATOM 261 CE1 PHE A 791 6.265 -9.187 2.564 1.00 0.57 C ATOM 262 CE2 PHE A 791 8.504 -9.978 2.279 1.00 0.59 C ATOM 263 CZ PHE A 791 7.620 -9.052 2.800 1.00 0.63 C ATOM 0 H PHE A 791 5.073 -13.961 -1.080 1.00 0.20 H new ATOM 0 HA PHE A 791 4.537 -11.356 -0.542 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.488 -12.931 1.070 1.00 0.26 H new ATOM 0 HB3 PHE A 791 7.003 -12.976 0.192 1.00 0.26 H new ATOM 0 HD1 PHE A 791 4.738 -10.346 1.628 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.727 -11.755 1.121 1.00 0.47 H new ATOM 0 HE1 PHE A 791 5.571 -8.465 2.969 1.00 0.57 H new ATOM 0 HE2 PHE A 791 9.564 -9.876 2.461 1.00 0.59 H new ATOM 0 HZ PHE A 791 7.987 -8.225 3.390 1.00 0.63 H new ATOM 273 N ASP A 792 7.135 -11.557 -2.511 1.00 0.17 N ATOM 274 CA ASP A 792 8.001 -10.770 -3.373 1.00 0.17 C ATOM 275 C ASP A 792 7.165 -10.018 -4.396 1.00 0.16 C ATOM 276 O ASP A 792 7.234 -8.794 -4.482 1.00 0.19 O ATOM 277 CB ASP A 792 9.013 -11.668 -4.083 1.00 0.22 C ATOM 278 CG ASP A 792 10.305 -10.941 -4.403 1.00 1.17 C ATOM 279 OD1 ASP A 792 10.246 -9.895 -5.081 1.00 2.05 O ATOM 280 OD2 ASP A 792 11.377 -11.420 -3.977 1.00 1.47 O ATOM 0 H ASP A 792 7.215 -12.566 -2.636 1.00 0.17 H new ATOM 0 HA ASP A 792 8.547 -10.054 -2.758 1.00 0.17 H new ATOM 0 HB2 ASP A 792 9.231 -12.532 -3.456 1.00 0.22 H new ATOM 0 HB3 ASP A 792 8.574 -12.047 -5.006 1.00 0.22 H new ATOM 285 N ASP A 793 6.353 -10.758 -5.158 1.00 0.17 N ATOM 286 CA ASP A 793 5.487 -10.151 -6.161 1.00 0.18 C ATOM 287 C ASP A 793 4.596 -9.103 -5.512 1.00 0.17 C ATOM 288 O ASP A 793 4.148 -8.156 -6.160 1.00 0.24 O ATOM 289 CB ASP A 793 4.632 -11.221 -6.839 1.00 0.19 C ATOM 290 CG ASP A 793 4.515 -11.009 -8.336 1.00 0.56 C ATOM 291 OD1 ASP A 793 5.559 -10.789 -8.988 1.00 1.04 O ATOM 292 OD2 ASP A 793 3.382 -11.065 -8.856 1.00 1.07 O ATOM 0 H ASP A 793 6.281 -11.774 -5.096 1.00 0.17 H new ATOM 0 HA ASP A 793 6.108 -9.670 -6.917 1.00 0.18 H new ATOM 0 HB2 ASP A 793 5.065 -12.203 -6.647 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.636 -11.220 -6.396 1.00 0.19 H new ATOM 297 N LEU A 794 4.360 -9.279 -4.217 1.00 0.14 N ATOM 298 CA LEU A 794 3.537 -8.354 -3.451 1.00 0.15 C ATOM 299 C LEU A 794 4.279 -7.042 -3.237 1.00 0.15 C ATOM 300 O LEU A 794 3.813 -5.976 -3.639 1.00 0.17 O ATOM 301 CB LEU A 794 3.168 -8.959 -2.094 1.00 0.19 C ATOM 302 CG LEU A 794 2.194 -8.125 -1.262 1.00 0.26 C ATOM 303 CD1 LEU A 794 0.907 -7.862 -2.033 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.896 -8.817 0.060 1.00 0.70 C ATOM 0 H LEU A 794 4.730 -10.059 -3.674 1.00 0.14 H new ATOM 0 HA LEU A 794 2.624 -8.164 -4.015 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.732 -9.944 -2.258 1.00 0.19 H new ATOM 0 HB3 LEU A 794 4.081 -9.107 -1.518 1.00 0.19 H new ATOM 0 HG LEU A 794 2.663 -7.164 -1.051 1.00 0.26 H new ATOM 0 HD11 LEU A 794 0.231 -7.267 -1.420 1.00 0.93 H new ATOM 0 HD12 LEU A 794 1.137 -7.320 -2.950 1.00 0.93 H new ATOM 0 HD13 LEU A 794 0.431 -8.811 -2.282 1.00 0.93 H new ATOM 0 HD21 LEU A 794 1.201 -8.210 0.640 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.451 -9.793 -0.133 1.00 0.70 H new ATOM 0 HD23 LEU A 794 2.822 -8.944 0.621 1.00 0.70 H new ATOM 316 N ILE A 795 5.437 -7.137 -2.596 1.00 0.19 N ATOM 317 CA ILE A 795 6.262 -5.971 -2.312 1.00 0.22 C ATOM 318 C ILE A 795 6.589 -5.194 -3.582 1.00 0.21 C ATOM 319 O ILE A 795 6.788 -3.984 -3.534 1.00 0.23 O ATOM 320 CB ILE A 795 7.565 -6.374 -1.598 1.00 0.26 C ATOM 321 CG1 ILE A 795 7.252 -7.016 -0.243 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.487 -5.174 -1.424 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.424 -6.135 0.673 1.00 0.32 C ATOM 0 H ILE A 795 5.828 -8.017 -2.261 1.00 0.19 H new ATOM 0 HA ILE A 795 5.684 -5.325 -1.652 1.00 0.22 H new ATOM 0 HB ILE A 795 8.082 -7.106 -2.219 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.720 -7.953 -0.409 1.00 0.30 H new ATOM 0 HG13 ILE A 795 8.189 -7.265 0.256 1.00 0.30 H new ATOM 0 HG21 ILE A 795 9.400 -5.487 -0.917 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.738 -4.763 -2.402 1.00 0.28 H new ATOM 0 HG23 ILE A 795 7.984 -4.412 -0.828 1.00 0.28 H new ATOM 0 HD11 ILE A 795 6.243 -6.656 1.613 1.00 0.32 H new ATOM 0 HD12 ILE A 795 6.962 -5.208 0.870 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.471 -5.907 0.195 1.00 0.32 H new ATOM 335 N MET A 796 6.632 -5.882 -4.717 1.00 0.23 N ATOM 336 CA MET A 796 6.925 -5.225 -5.987 1.00 0.26 C ATOM 337 C MET A 796 5.781 -4.299 -6.384 1.00 0.23 C ATOM 338 O MET A 796 5.999 -3.125 -6.684 1.00 0.22 O ATOM 339 CB MET A 796 7.163 -6.258 -7.089 1.00 0.36 C ATOM 340 CG MET A 796 8.227 -7.285 -6.739 1.00 0.46 C ATOM 341 SD MET A 796 9.121 -7.884 -8.187 1.00 0.67 S ATOM 342 CE MET A 796 10.342 -6.588 -8.392 1.00 1.53 C ATOM 0 H MET A 796 6.469 -6.887 -4.785 1.00 0.23 H new ATOM 0 HA MET A 796 7.832 -4.634 -5.860 1.00 0.26 H new ATOM 0 HB2 MET A 796 6.227 -6.774 -7.300 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.455 -5.741 -8.003 1.00 0.36 H new ATOM 0 HG2 MET A 796 8.935 -6.844 -6.037 1.00 0.46 H new ATOM 0 HG3 MET A 796 7.759 -8.129 -6.232 1.00 0.46 H new ATOM 0 HE1 MET A 796 10.973 -6.816 -9.251 1.00 1.53 H new ATOM 0 HE2 MET A 796 9.838 -5.635 -8.555 1.00 1.53 H new ATOM 0 HE3 MET A 796 10.958 -6.524 -7.495 1.00 1.53 H new ATOM 352 N ALA A 797 4.559 -4.830 -6.367 1.00 0.26 N ATOM 353 CA ALA A 797 3.383 -4.040 -6.712 1.00 0.30 C ATOM 354 C ALA A 797 3.313 -2.799 -5.835 1.00 0.28 C ATOM 355 O ALA A 797 3.233 -1.673 -6.332 1.00 0.30 O ATOM 356 CB ALA A 797 2.120 -4.875 -6.560 1.00 0.38 C ATOM 0 H ALA A 797 4.360 -5.799 -6.119 1.00 0.26 H new ATOM 0 HA ALA A 797 3.462 -3.727 -7.753 1.00 0.30 H new ATOM 0 HB1 ALA A 797 1.251 -4.271 -6.821 1.00 0.38 H new ATOM 0 HB2 ALA A 797 2.173 -5.739 -7.222 1.00 0.38 H new ATOM 0 HB3 ALA A 797 2.030 -5.213 -5.528 1.00 0.38 H new ATOM 362 N ILE A 798 3.369 -3.013 -4.523 1.00 0.27 N ATOM 363 CA ILE A 798 3.334 -1.920 -3.567 1.00 0.31 C ATOM 364 C ILE A 798 4.460 -0.933 -3.842 1.00 0.29 C ATOM 365 O ILE A 798 4.238 0.275 -3.918 1.00 0.33 O ATOM 366 CB ILE A 798 3.470 -2.439 -2.125 1.00 0.35 C ATOM 367 CG1 ILE A 798 2.223 -3.235 -1.732 1.00 0.40 C ATOM 368 CG2 ILE A 798 3.713 -1.285 -1.163 1.00 0.42 C ATOM 369 CD1 ILE A 798 2.282 -3.814 -0.333 1.00 0.50 C ATOM 0 H ILE A 798 3.439 -3.939 -4.101 1.00 0.27 H new ATOM 0 HA ILE A 798 2.371 -1.421 -3.678 1.00 0.31 H new ATOM 0 HB ILE A 798 4.331 -3.105 -2.069 1.00 0.35 H new ATOM 0 HG12 ILE A 798 1.350 -2.587 -1.810 1.00 0.40 H new ATOM 0 HG13 ILE A 798 2.082 -4.047 -2.445 1.00 0.40 H new ATOM 0 HG21 ILE A 798 3.807 -1.671 -0.148 1.00 0.42 H new ATOM 0 HG22 ILE A 798 4.631 -0.767 -1.440 1.00 0.42 H new ATOM 0 HG23 ILE A 798 2.875 -0.589 -1.211 1.00 0.42 H new ATOM 0 HD11 ILE A 798 1.363 -4.364 -0.128 1.00 0.50 H new ATOM 0 HD12 ILE A 798 3.134 -4.489 -0.254 1.00 0.50 H new ATOM 0 HD13 ILE A 798 2.391 -3.006 0.391 1.00 0.50 H new ATOM 381 N ASN A 799 5.670 -1.464 -3.984 1.00 0.25 N ATOM 382 CA ASN A 799 6.846 -0.642 -4.245 1.00 0.29 C ATOM 383 C ASN A 799 6.643 0.241 -5.474 1.00 0.27 C ATOM 384 O ASN A 799 7.229 1.319 -5.575 1.00 0.36 O ATOM 385 CB ASN A 799 8.080 -1.518 -4.438 1.00 0.30 C ATOM 386 CG ASN A 799 9.322 -0.920 -3.804 1.00 0.38 C ATOM 387 OD1 ASN A 799 9.311 -0.801 -2.481 1.00 0.81 O flip ATOM 388 ND2 ASN A 799 10.280 -0.571 -4.494 1.00 0.78 N flip ATOM 0 H ASN A 799 5.862 -2.464 -3.922 1.00 0.25 H new ATOM 0 HA ASN A 799 6.996 0.002 -3.379 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.894 -2.502 -4.007 1.00 0.30 H new ATOM 0 HB3 ASN A 799 8.255 -1.664 -5.504 1.00 0.30 H new ATOM 0 HD21 ASN A 799 10.245 -0.681 -5.507 1.00 0.78 H new ATOM 0 HD22 ASN A 799 11.108 -0.172 -4.052 1.00 0.78 H new ATOM 395 N SER A 800 5.815 -0.222 -6.404 1.00 0.22 N ATOM 396 CA SER A 800 5.545 0.530 -7.624 1.00 0.25 C ATOM 397 C SER A 800 4.555 1.661 -7.361 1.00 0.28 C ATOM 398 O SER A 800 4.557 2.673 -8.060 1.00 0.33 O ATOM 399 CB SER A 800 4.998 -0.400 -8.710 1.00 0.28 C ATOM 400 OG SER A 800 4.639 0.327 -9.870 1.00 0.98 O ATOM 0 H SER A 800 5.321 -1.112 -6.337 1.00 0.22 H new ATOM 0 HA SER A 800 6.483 0.967 -7.966 1.00 0.25 H new ATOM 0 HB2 SER A 800 5.749 -1.149 -8.964 1.00 0.28 H new ATOM 0 HB3 SER A 800 4.129 -0.936 -8.330 1.00 0.28 H new ATOM 0 HG SER A 800 4.294 -0.290 -10.549 1.00 0.98 H new ATOM 406 N LYS A 801 3.707 1.477 -6.352 1.00 0.30 N ATOM 407 CA LYS A 801 2.706 2.482 -6.006 1.00 0.37 C ATOM 408 C LYS A 801 3.160 3.339 -4.826 1.00 0.40 C ATOM 409 O LYS A 801 2.434 4.231 -4.384 1.00 0.49 O ATOM 410 CB LYS A 801 1.373 1.809 -5.675 1.00 0.42 C ATOM 411 CG LYS A 801 0.697 1.176 -6.879 1.00 0.67 C ATOM 412 CD LYS A 801 -0.363 2.093 -7.470 1.00 1.05 C ATOM 413 CE LYS A 801 -1.295 1.340 -8.403 1.00 1.43 C ATOM 414 NZ LYS A 801 -2.703 1.808 -8.281 1.00 2.25 N ATOM 0 H LYS A 801 3.693 0.645 -5.762 1.00 0.30 H new ATOM 0 HA LYS A 801 2.578 3.134 -6.870 1.00 0.37 H new ATOM 0 HB2 LYS A 801 1.540 1.043 -4.918 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.701 2.548 -5.238 1.00 0.42 H new ATOM 0 HG2 LYS A 801 1.445 0.946 -7.638 1.00 0.67 H new ATOM 0 HG3 LYS A 801 0.240 0.231 -6.586 1.00 0.67 H new ATOM 0 HD2 LYS A 801 -0.941 2.548 -6.666 1.00 1.05 H new ATOM 0 HD3 LYS A 801 0.120 2.905 -8.014 1.00 1.05 H new ATOM 0 HE2 LYS A 801 -0.958 1.467 -9.432 1.00 1.43 H new ATOM 0 HE3 LYS A 801 -1.247 0.274 -8.181 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 -3.306 1.269 -8.934 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 -3.034 1.663 -7.306 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 -2.754 2.819 -8.518 1.00 2.25 H new ATOM 428 N ILE A 802 4.359 3.070 -4.317 1.00 0.39 N ATOM 429 CA ILE A 802 4.892 3.828 -3.187 1.00 0.45 C ATOM 430 C ILE A 802 6.163 4.580 -3.571 1.00 0.50 C ATOM 431 O ILE A 802 6.439 5.658 -3.044 1.00 0.60 O ATOM 432 CB ILE A 802 5.193 2.914 -1.982 1.00 0.47 C ATOM 433 CG1 ILE A 802 6.263 1.889 -2.341 1.00 0.42 C ATOM 434 CG2 ILE A 802 3.924 2.223 -1.509 1.00 0.49 C ATOM 435 CD1 ILE A 802 7.598 2.149 -1.679 1.00 0.75 C ATOM 0 H ILE A 802 4.977 2.338 -4.666 1.00 0.39 H new ATOM 0 HA ILE A 802 4.122 4.546 -2.904 1.00 0.45 H new ATOM 0 HB ILE A 802 5.572 3.531 -1.167 1.00 0.47 H new ATOM 0 HG12 ILE A 802 5.913 0.897 -2.057 1.00 0.42 H new ATOM 0 HG13 ILE A 802 6.399 1.882 -3.423 1.00 0.42 H new ATOM 0 HG21 ILE A 802 4.154 1.582 -0.658 1.00 0.49 H new ATOM 0 HG22 ILE A 802 3.191 2.973 -1.211 1.00 0.49 H new ATOM 0 HG23 ILE A 802 3.515 1.618 -2.319 1.00 0.49 H new ATOM 0 HD11 ILE A 802 8.309 1.380 -1.981 1.00 0.75 H new ATOM 0 HD12 ILE A 802 7.970 3.127 -1.983 1.00 0.75 H new ATOM 0 HD13 ILE A 802 7.477 2.127 -0.596 1.00 0.75 H new ATOM 447 N SER A 803 6.937 4.003 -4.485 1.00 0.45 N ATOM 448 CA SER A 803 8.180 4.620 -4.930 1.00 0.53 C ATOM 449 C SER A 803 8.318 4.538 -6.447 1.00 0.61 C ATOM 450 O SER A 803 9.014 3.669 -6.973 1.00 1.19 O ATOM 451 CB SER A 803 9.378 3.948 -4.255 1.00 0.60 C ATOM 452 OG SER A 803 9.390 2.554 -4.508 1.00 1.53 O ATOM 0 H SER A 803 6.725 3.110 -4.931 1.00 0.45 H new ATOM 0 HA SER A 803 8.157 5.672 -4.645 1.00 0.53 H new ATOM 0 HB2 SER A 803 10.303 4.395 -4.620 1.00 0.60 H new ATOM 0 HB3 SER A 803 9.341 4.125 -3.180 1.00 0.60 H new ATOM 0 HG SER A 803 8.561 2.297 -4.963 1.00 1.53 H new ATOM 576 N PRO A 812 11.382 4.353 -0.158 1.00 0.70 N ATOM 577 CA PRO A 812 10.629 3.101 -0.270 1.00 0.66 C ATOM 578 C PRO A 812 10.758 2.231 0.976 1.00 0.62 C ATOM 579 O PRO A 812 11.837 2.125 1.561 1.00 0.73 O ATOM 580 CB PRO A 812 11.275 2.415 -1.469 1.00 0.70 C ATOM 581 CG PRO A 812 12.684 2.899 -1.459 1.00 0.95 C ATOM 582 CD PRO A 812 12.634 4.314 -0.942 1.00 0.77 C ATOM 0 HA PRO A 812 9.559 3.275 -0.382 1.00 0.66 H new ATOM 0 HB2 PRO A 812 11.227 1.330 -1.379 1.00 0.70 H new ATOM 0 HB3 PRO A 812 10.770 2.680 -2.398 1.00 0.70 H new ATOM 0 HG2 PRO A 812 13.307 2.272 -0.821 1.00 0.95 H new ATOM 0 HG3 PRO A 812 13.116 2.864 -2.459 1.00 0.95 H new ATOM 0 HD2 PRO A 812 13.501 4.546 -0.324 1.00 0.77 H new ATOM 0 HD3 PRO A 812 12.620 5.038 -1.756 1.00 0.77 H new ATOM 590 N ILE A 813 9.654 1.607 1.374 1.00 0.62 N ATOM 591 CA ILE A 813 9.647 0.743 2.550 1.00 0.61 C ATOM 592 C ILE A 813 9.388 -0.710 2.162 1.00 0.59 C ATOM 593 O ILE A 813 9.090 -1.009 1.006 1.00 0.75 O ATOM 594 CB ILE A 813 8.588 1.189 3.580 1.00 0.70 C ATOM 595 CG1 ILE A 813 7.170 0.965 3.034 1.00 1.22 C ATOM 596 CG2 ILE A 813 8.802 2.646 3.967 1.00 1.05 C ATOM 597 CD1 ILE A 813 6.725 1.996 2.014 1.00 1.94 C ATOM 0 H ILE A 813 8.754 1.683 0.901 1.00 0.62 H new ATOM 0 HA ILE A 813 10.634 0.825 3.005 1.00 0.61 H new ATOM 0 HB ILE A 813 8.700 0.580 4.477 1.00 0.70 H new ATOM 0 HG12 ILE A 813 7.120 -0.024 2.579 1.00 1.22 H new ATOM 0 HG13 ILE A 813 6.467 0.968 3.867 1.00 1.22 H new ATOM 0 HG21 ILE A 813 8.047 2.944 4.694 1.00 1.05 H new ATOM 0 HG22 ILE A 813 9.793 2.764 4.404 1.00 1.05 H new ATOM 0 HG23 ILE A 813 8.720 3.274 3.080 1.00 1.05 H new ATOM 0 HD11 ILE A 813 5.714 1.764 1.680 1.00 1.94 H new ATOM 0 HD12 ILE A 813 6.739 2.987 2.468 1.00 1.94 H new ATOM 0 HD13 ILE A 813 7.402 1.979 1.160 1.00 1.94 H new ATOM 609 N THR A 814 9.504 -1.607 3.136 1.00 0.49 N ATOM 610 CA THR A 814 9.285 -3.028 2.897 1.00 0.49 C ATOM 611 C THR A 814 8.266 -3.600 3.876 1.00 0.47 C ATOM 612 O THR A 814 7.327 -4.291 3.479 1.00 0.54 O ATOM 613 CB THR A 814 10.596 -3.828 3.015 1.00 0.53 C ATOM 614 OG1 THR A 814 11.249 -3.519 4.253 1.00 1.16 O ATOM 615 CG2 THR A 814 11.528 -3.517 1.854 1.00 1.07 C ATOM 0 H THR A 814 9.749 -1.374 4.099 1.00 0.49 H new ATOM 0 HA THR A 814 8.902 -3.121 1.881 1.00 0.49 H new ATOM 0 HB THR A 814 10.350 -4.890 2.988 1.00 0.53 H new ATOM 0 HG1 THR A 814 12.081 -4.033 4.321 1.00 1.16 H new ATOM 0 HG21 THR A 814 12.447 -4.094 1.960 1.00 1.07 H new ATOM 0 HG22 THR A 814 11.040 -3.780 0.915 1.00 1.07 H new ATOM 0 HG23 THR A 814 11.766 -2.453 1.853 1.00 1.07 H new ATOM 623 N LYS A 815 8.455 -3.305 5.158 1.00 0.42 N ATOM 624 CA LYS A 815 7.553 -3.788 6.197 1.00 0.42 C ATOM 625 C LYS A 815 6.303 -2.921 6.273 1.00 0.40 C ATOM 626 O LYS A 815 6.388 -1.693 6.303 1.00 0.48 O ATOM 627 CB LYS A 815 8.260 -3.804 7.553 1.00 0.49 C ATOM 628 CG LYS A 815 9.144 -5.022 7.764 1.00 0.89 C ATOM 629 CD LYS A 815 10.616 -4.648 7.772 1.00 1.30 C ATOM 630 CE LYS A 815 11.503 -5.880 7.820 1.00 1.97 C ATOM 631 NZ LYS A 815 12.923 -5.532 8.105 1.00 2.69 N ATOM 0 H LYS A 815 9.226 -2.733 5.503 1.00 0.42 H new ATOM 0 HA LYS A 815 7.256 -4.805 5.941 1.00 0.42 H new ATOM 0 HB2 LYS A 815 8.867 -2.904 7.647 1.00 0.49 H new ATOM 0 HB3 LYS A 815 7.511 -3.767 8.344 1.00 0.49 H new ATOM 0 HG2 LYS A 815 8.885 -5.502 8.708 1.00 0.89 H new ATOM 0 HG3 LYS A 815 8.957 -5.750 6.974 1.00 0.89 H new ATOM 0 HD2 LYS A 815 10.849 -4.065 6.881 1.00 1.30 H new ATOM 0 HD3 LYS A 815 10.827 -4.013 8.633 1.00 1.30 H new ATOM 0 HE2 LYS A 815 11.136 -6.562 8.587 1.00 1.97 H new ATOM 0 HE3 LYS A 815 11.443 -6.408 6.868 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 13.495 -6.400 8.129 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 13.282 -4.901 7.360 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 12.985 -5.051 9.025 1.00 2.69 H new ATOM 645 N ILE A 816 5.141 -3.566 6.305 1.00 0.36 N ATOM 646 CA ILE A 816 3.870 -2.853 6.376 1.00 0.38 C ATOM 647 C ILE A 816 2.837 -3.647 7.167 1.00 0.33 C ATOM 648 O ILE A 816 3.081 -4.788 7.560 1.00 0.37 O ATOM 649 CB ILE A 816 3.306 -2.555 4.972 1.00 0.41 C ATOM 650 CG1 ILE A 816 3.817 -3.580 3.955 1.00 0.59 C ATOM 651 CG2 ILE A 816 3.681 -1.146 4.541 1.00 0.84 C ATOM 652 CD1 ILE A 816 3.229 -4.964 4.137 1.00 0.53 C ATOM 0 H ILE A 816 5.053 -4.582 6.283 1.00 0.36 H new ATOM 0 HA ILE A 816 4.069 -1.910 6.885 1.00 0.38 H new ATOM 0 HB ILE A 816 2.219 -2.629 5.015 1.00 0.41 H new ATOM 0 HG12 ILE A 816 3.587 -3.227 2.950 1.00 0.59 H new ATOM 0 HG13 ILE A 816 4.903 -3.643 4.030 1.00 0.59 H new ATOM 0 HG21 ILE A 816 3.276 -0.949 3.548 1.00 0.84 H new ATOM 0 HG22 ILE A 816 3.269 -0.427 5.250 1.00 0.84 H new ATOM 0 HG23 ILE A 816 4.766 -1.050 4.516 1.00 0.84 H new ATOM 0 HD11 ILE A 816 3.637 -5.635 3.381 1.00 0.53 H new ATOM 0 HD12 ILE A 816 3.481 -5.339 5.129 1.00 0.53 H new ATOM 0 HD13 ILE A 816 2.145 -4.916 4.032 1.00 0.53 H new ATOM 664 N LYS A 817 1.679 -3.034 7.395 1.00 0.32 N ATOM 665 CA LYS A 817 0.601 -3.681 8.136 1.00 0.31 C ATOM 666 C LYS A 817 -0.656 -3.787 7.279 1.00 0.32 C ATOM 667 O LYS A 817 -0.943 -2.905 6.471 1.00 0.59 O ATOM 668 CB LYS A 817 0.292 -2.900 9.416 1.00 0.37 C ATOM 669 CG LYS A 817 1.397 -2.977 10.455 1.00 0.39 C ATOM 670 CD LYS A 817 0.926 -3.691 11.712 1.00 0.38 C ATOM 671 CE LYS A 817 1.760 -3.303 12.922 1.00 0.50 C ATOM 672 NZ LYS A 817 1.239 -3.917 14.175 1.00 0.85 N ATOM 0 H LYS A 817 1.463 -2.089 7.077 1.00 0.32 H new ATOM 0 HA LYS A 817 0.928 -4.686 8.402 1.00 0.31 H new ATOM 0 HB2 LYS A 817 0.116 -1.855 9.161 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.632 -3.282 9.851 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.256 -3.502 10.037 1.00 0.39 H new ATOM 0 HG3 LYS A 817 1.731 -1.971 10.709 1.00 0.39 H new ATOM 0 HD2 LYS A 817 -0.120 -3.449 11.898 1.00 0.38 H new ATOM 0 HD3 LYS A 817 0.982 -4.769 11.561 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.793 -3.615 12.767 1.00 0.50 H new ATOM 0 HE3 LYS A 817 1.767 -2.218 13.025 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 2.032 -4.124 14.816 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 0.582 -3.257 14.638 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 0.739 -4.800 13.947 1.00 0.85 H new ATOM 686 N TYR A 818 -1.404 -4.873 7.462 1.00 0.23 N ATOM 687 CA TYR A 818 -2.630 -5.088 6.703 1.00 0.22 C ATOM 688 C TYR A 818 -3.817 -5.311 7.634 1.00 0.23 C ATOM 689 O TYR A 818 -3.648 -5.502 8.836 1.00 0.31 O ATOM 690 CB TYR A 818 -2.471 -6.278 5.754 1.00 0.26 C ATOM 691 CG TYR A 818 -2.385 -7.620 6.450 1.00 0.30 C ATOM 692 CD1 TYR A 818 -1.305 -7.938 7.265 1.00 0.46 C ATOM 693 CD2 TYR A 818 -3.382 -8.573 6.282 1.00 0.41 C ATOM 694 CE1 TYR A 818 -1.221 -9.166 7.892 1.00 0.58 C ATOM 695 CE2 TYR A 818 -3.304 -9.805 6.906 1.00 0.51 C ATOM 696 CZ TYR A 818 -2.223 -10.095 7.707 1.00 0.56 C ATOM 697 OH TYR A 818 -2.143 -11.320 8.331 1.00 0.71 O ATOM 0 H TYR A 818 -1.182 -5.614 8.127 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.822 -4.192 6.113 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -3.314 -6.293 5.064 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.572 -6.133 5.156 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -0.518 -7.213 7.411 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -4.232 -8.348 5.654 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -0.376 -9.397 8.523 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -4.087 -10.535 6.765 1.00 0.51 H new ATOM 0 HH TYR A 818 -3.014 -11.547 8.719 1.00 0.71 H new ATOM 707 N GLN A 819 -5.019 -5.282 7.065 1.00 0.27 N ATOM 708 CA GLN A 819 -6.237 -5.476 7.830 1.00 0.34 C ATOM 709 C GLN A 819 -6.632 -6.944 7.853 1.00 0.40 C ATOM 710 O GLN A 819 -7.085 -7.495 6.850 1.00 0.45 O ATOM 711 CB GLN A 819 -7.375 -4.641 7.241 1.00 0.44 C ATOM 712 CG GLN A 819 -8.420 -4.233 8.266 1.00 0.56 C ATOM 713 CD GLN A 819 -9.580 -3.478 7.647 1.00 1.14 C ATOM 714 OE1 GLN A 819 -9.412 -2.370 7.137 1.00 1.91 O ATOM 715 NE2 GLN A 819 -10.765 -4.075 7.692 1.00 1.44 N ATOM 0 H GLN A 819 -5.171 -5.124 6.069 1.00 0.27 H new ATOM 0 HA GLN A 819 -6.049 -5.150 8.853 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -6.958 -3.744 6.783 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.859 -5.209 6.447 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -8.798 -5.123 8.769 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -7.952 -3.611 9.029 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -10.857 -4.994 8.125 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -11.583 -3.615 7.294 1.00 1.44 H new ATOM 724 N ASP A 820 -6.456 -7.567 9.006 1.00 0.43 N ATOM 725 CA ASP A 820 -6.792 -8.977 9.174 1.00 0.53 C ATOM 726 C ASP A 820 -8.296 -9.153 9.360 1.00 0.62 C ATOM 727 O ASP A 820 -9.025 -8.180 9.553 1.00 0.65 O ATOM 728 CB ASP A 820 -6.043 -9.562 10.373 1.00 0.58 C ATOM 729 CG ASP A 820 -5.771 -11.046 10.218 1.00 1.13 C ATOM 730 OD1 ASP A 820 -5.044 -11.420 9.274 1.00 1.80 O ATOM 731 OD2 ASP A 820 -6.287 -11.833 11.039 1.00 1.34 O ATOM 0 H ASP A 820 -6.082 -7.120 9.843 1.00 0.43 H new ATOM 0 HA ASP A 820 -6.489 -9.511 8.273 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -5.098 -9.034 10.500 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -6.626 -9.395 11.279 1.00 0.58 H new ATOM 736 N GLU A 821 -8.755 -10.400 9.294 1.00 0.71 N ATOM 737 CA GLU A 821 -10.175 -10.706 9.447 1.00 0.82 C ATOM 738 C GLU A 821 -10.632 -10.517 10.891 1.00 0.83 C ATOM 739 O GLU A 821 -11.783 -10.801 11.229 1.00 0.97 O ATOM 740 CB GLU A 821 -10.458 -12.139 8.996 1.00 0.96 C ATOM 741 CG GLU A 821 -9.518 -13.166 9.604 1.00 1.10 C ATOM 742 CD GLU A 821 -10.228 -14.446 9.998 1.00 1.30 C ATOM 743 OE1 GLU A 821 -11.060 -14.932 9.204 1.00 1.62 O ATOM 744 OE2 GLU A 821 -9.953 -14.963 11.102 1.00 1.53 O ATOM 0 H GLU A 821 -8.164 -11.216 9.135 1.00 0.71 H new ATOM 0 HA GLU A 821 -10.735 -10.012 8.820 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -11.484 -12.398 9.259 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -10.385 -12.190 7.910 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -8.728 -13.398 8.889 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -9.036 -12.737 10.483 1.00 1.10 H new ATOM 751 N ASP A 822 -9.728 -10.035 11.739 1.00 0.79 N ATOM 752 CA ASP A 822 -10.047 -9.809 13.143 1.00 0.81 C ATOM 753 C ASP A 822 -10.350 -8.335 13.398 1.00 0.73 C ATOM 754 O ASP A 822 -10.339 -7.878 14.541 1.00 0.78 O ATOM 755 CB ASP A 822 -8.888 -10.265 14.032 1.00 0.86 C ATOM 756 CG ASP A 822 -9.038 -11.704 14.486 1.00 1.20 C ATOM 757 OD1 ASP A 822 -10.188 -12.139 14.707 1.00 1.65 O ATOM 758 OD2 ASP A 822 -8.007 -12.396 14.619 1.00 1.56 O ATOM 0 H ASP A 822 -8.772 -9.794 11.478 1.00 0.79 H new ATOM 0 HA ASP A 822 -10.934 -10.393 13.388 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -7.951 -10.155 13.487 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -8.827 -9.616 14.906 1.00 0.86 H new ATOM 763 N GLY A 823 -10.623 -7.597 12.324 1.00 0.68 N ATOM 764 CA GLY A 823 -10.926 -6.182 12.450 1.00 0.70 C ATOM 765 C GLY A 823 -9.828 -5.419 13.166 1.00 0.67 C ATOM 766 O GLY A 823 -10.096 -4.676 14.110 1.00 0.88 O ATOM 0 H GLY A 823 -10.640 -7.955 11.369 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -11.075 -5.755 11.458 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -11.863 -6.060 12.993 1.00 0.70 H new ATOM 770 N ASP A 824 -8.593 -5.606 12.712 1.00 0.54 N ATOM 771 CA ASP A 824 -7.444 -4.938 13.309 1.00 0.57 C ATOM 772 C ASP A 824 -6.190 -5.199 12.486 1.00 0.55 C ATOM 773 O ASP A 824 -5.923 -6.332 12.080 1.00 0.93 O ATOM 774 CB ASP A 824 -7.234 -5.421 14.746 1.00 0.65 C ATOM 775 CG ASP A 824 -7.357 -4.299 15.759 1.00 1.15 C ATOM 776 OD1 ASP A 824 -6.637 -3.289 15.617 1.00 1.86 O ATOM 777 OD2 ASP A 824 -8.175 -4.432 16.696 1.00 1.48 O ATOM 0 H ASP A 824 -8.363 -6.218 11.929 1.00 0.54 H new ATOM 0 HA ASP A 824 -7.639 -3.866 13.322 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -7.965 -6.196 14.976 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -6.248 -5.878 14.832 1.00 0.65 H new ATOM 782 N PHE A 825 -5.425 -4.145 12.242 1.00 0.42 N ATOM 783 CA PHE A 825 -4.195 -4.260 11.468 1.00 0.37 C ATOM 784 C PHE A 825 -3.168 -5.108 12.212 1.00 0.38 C ATOM 785 O PHE A 825 -3.027 -5.001 13.429 1.00 0.44 O ATOM 786 CB PHE A 825 -3.613 -2.876 11.173 1.00 0.39 C ATOM 787 CG PHE A 825 -4.388 -2.112 10.135 1.00 0.41 C ATOM 788 CD1 PHE A 825 -5.521 -1.394 10.487 1.00 0.59 C ATOM 789 CD2 PHE A 825 -3.985 -2.113 8.810 1.00 0.38 C ATOM 790 CE1 PHE A 825 -6.236 -0.693 9.535 1.00 0.64 C ATOM 791 CE2 PHE A 825 -4.697 -1.414 7.854 1.00 0.43 C ATOM 792 CZ PHE A 825 -5.824 -0.703 8.217 1.00 0.52 C ATOM 0 H PHE A 825 -5.633 -3.201 12.568 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.435 -4.749 10.524 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.587 -2.297 12.096 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.582 -2.987 10.837 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -5.848 -1.383 11.516 1.00 0.59 H new ATOM 0 HD2 PHE A 825 -3.104 -2.667 8.521 1.00 0.38 H new ATOM 0 HE1 PHE A 825 -7.117 -0.137 9.822 1.00 0.64 H new ATOM 0 HE2 PHE A 825 -4.372 -1.424 6.824 1.00 0.43 H new ATOM 0 HZ PHE A 825 -6.382 -0.156 7.472 1.00 0.52 H new ATOM 802 N VAL A 826 -2.454 -5.950 11.470 1.00 0.38 N ATOM 803 CA VAL A 826 -1.442 -6.813 12.062 1.00 0.45 C ATOM 804 C VAL A 826 -0.147 -6.749 11.260 1.00 0.36 C ATOM 805 O VAL A 826 -0.076 -6.070 10.236 1.00 0.31 O ATOM 806 CB VAL A 826 -1.926 -8.273 12.148 1.00 0.54 C ATOM 807 CG1 VAL A 826 -2.877 -8.454 13.320 1.00 0.97 C ATOM 808 CG2 VAL A 826 -2.592 -8.696 10.849 1.00 0.79 C ATOM 0 H VAL A 826 -2.559 -6.051 10.460 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.257 -6.452 13.074 1.00 0.45 H new ATOM 0 HB VAL A 826 -1.057 -8.911 12.310 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -3.208 -9.492 13.363 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -2.365 -8.197 14.247 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -3.742 -7.803 13.191 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -2.926 -9.730 10.931 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -3.449 -8.052 10.653 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -1.879 -8.610 10.029 1.00 0.79 H new ATOM 818 N VAL A 827 0.876 -7.452 11.733 1.00 0.37 N ATOM 819 CA VAL A 827 2.169 -7.455 11.057 1.00 0.33 C ATOM 820 C VAL A 827 2.337 -8.690 10.182 1.00 0.30 C ATOM 821 O VAL A 827 2.370 -9.818 10.675 1.00 0.35 O ATOM 822 CB VAL A 827 3.336 -7.397 12.061 1.00 0.41 C ATOM 823 CG1 VAL A 827 4.466 -6.541 11.511 1.00 0.52 C ATOM 824 CG2 VAL A 827 2.870 -6.872 13.411 1.00 0.56 C ATOM 0 H VAL A 827 0.837 -8.024 12.577 1.00 0.37 H new ATOM 0 HA VAL A 827 2.190 -6.563 10.432 1.00 0.33 H new ATOM 0 HB VAL A 827 3.709 -8.410 12.208 1.00 0.41 H new ATOM 0 HG11 VAL A 827 5.283 -6.510 12.232 1.00 0.52 H new ATOM 0 HG12 VAL A 827 4.824 -6.969 10.575 1.00 0.52 H new ATOM 0 HG13 VAL A 827 4.102 -5.529 11.331 1.00 0.52 H new ATOM 0 HG21 VAL A 827 3.714 -6.841 14.100 1.00 0.56 H new ATOM 0 HG22 VAL A 827 2.464 -5.868 13.290 1.00 0.56 H new ATOM 0 HG23 VAL A 827 2.098 -7.530 13.811 1.00 0.56 H new ATOM 834 N LEU A 828 2.448 -8.461 8.878 1.00 0.26 N ATOM 835 CA LEU A 828 2.620 -9.545 7.918 1.00 0.28 C ATOM 836 C LEU A 828 4.072 -10.013 7.890 1.00 0.46 C ATOM 837 O LEU A 828 4.949 -9.310 7.388 1.00 0.60 O ATOM 838 CB LEU A 828 2.188 -9.089 6.522 1.00 0.31 C ATOM 839 CG LEU A 828 2.099 -10.200 5.473 1.00 0.45 C ATOM 840 CD1 LEU A 828 0.676 -10.724 5.369 1.00 0.66 C ATOM 841 CD2 LEU A 828 2.583 -9.695 4.122 1.00 0.81 C ATOM 0 H LEU A 828 2.422 -7.531 8.461 1.00 0.26 H new ATOM 0 HA LEU A 828 1.993 -10.381 8.227 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.214 -8.606 6.600 1.00 0.31 H new ATOM 0 HB3 LEU A 828 2.891 -8.334 6.170 1.00 0.31 H new ATOM 0 HG LEU A 828 2.744 -11.021 5.785 1.00 0.45 H new ATOM 0 HD11 LEU A 828 0.633 -11.513 4.618 1.00 0.66 H new ATOM 0 HD12 LEU A 828 0.364 -11.124 6.334 1.00 0.66 H new ATOM 0 HD13 LEU A 828 0.009 -9.912 5.080 1.00 0.66 H new ATOM 0 HD21 LEU A 828 2.513 -10.497 3.387 1.00 0.81 H new ATOM 0 HD22 LEU A 828 1.963 -8.857 3.804 1.00 0.81 H new ATOM 0 HD23 LEU A 828 3.620 -9.369 4.206 1.00 0.81 H new ATOM 853 N GLY A 829 4.314 -11.201 8.436 1.00 0.58 N ATOM 854 CA GLY A 829 5.659 -11.746 8.471 1.00 0.81 C ATOM 855 C GLY A 829 6.315 -11.773 7.105 1.00 0.49 C ATOM 856 O GLY A 829 7.285 -11.054 6.862 1.00 0.45 O ATOM 0 H GLY A 829 3.601 -11.797 8.856 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.270 -11.152 9.151 1.00 0.81 H new ATOM 0 HA3 GLY A 829 5.626 -12.758 8.874 1.00 0.81 H new ATOM 860 N SER A 830 5.786 -12.605 6.213 1.00 0.35 N ATOM 861 CA SER A 830 6.325 -12.726 4.863 1.00 0.23 C ATOM 862 C SER A 830 5.400 -13.574 3.992 1.00 0.19 C ATOM 863 O SER A 830 4.178 -13.476 4.101 1.00 0.20 O ATOM 864 CB SER A 830 7.727 -13.340 4.907 1.00 0.45 C ATOM 865 OG SER A 830 7.778 -14.436 5.803 1.00 1.31 O ATOM 0 H SER A 830 4.984 -13.206 6.401 1.00 0.35 H new ATOM 0 HA SER A 830 6.393 -11.730 4.425 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.014 -13.669 3.908 1.00 0.45 H new ATOM 0 HB3 SER A 830 8.449 -12.583 5.213 1.00 0.45 H new ATOM 0 HG SER A 830 8.684 -14.810 5.811 1.00 1.31 H new ATOM 871 N ASP A 831 5.986 -14.407 3.134 1.00 0.18 N ATOM 872 CA ASP A 831 5.204 -15.268 2.256 1.00 0.18 C ATOM 873 C ASP A 831 4.251 -16.144 3.062 1.00 0.17 C ATOM 874 O ASP A 831 3.230 -16.601 2.549 1.00 0.22 O ATOM 875 CB ASP A 831 6.130 -16.144 1.408 1.00 0.23 C ATOM 876 CG ASP A 831 7.255 -16.750 2.221 1.00 1.33 C ATOM 877 OD1 ASP A 831 6.995 -17.716 2.967 1.00 1.77 O ATOM 878 OD2 ASP A 831 8.398 -16.259 2.112 1.00 2.20 O ATOM 0 H ASP A 831 6.996 -14.502 3.030 1.00 0.18 H new ATOM 0 HA ASP A 831 4.613 -14.632 1.596 1.00 0.18 H new ATOM 0 HB2 ASP A 831 5.549 -16.942 0.946 1.00 0.23 H new ATOM 0 HB3 ASP A 831 6.551 -15.547 0.599 1.00 0.23 H new ATOM 883 N GLU A 832 4.590 -16.371 4.328 1.00 0.18 N ATOM 884 CA GLU A 832 3.759 -17.189 5.206 1.00 0.21 C ATOM 885 C GLU A 832 2.421 -16.510 5.466 1.00 0.19 C ATOM 886 O GLU A 832 1.378 -16.983 5.015 1.00 0.19 O ATOM 887 CB GLU A 832 4.480 -17.455 6.529 1.00 0.26 C ATOM 888 CG GLU A 832 5.795 -18.200 6.367 1.00 0.92 C ATOM 889 CD GLU A 832 5.757 -19.587 6.977 1.00 1.41 C ATOM 890 OE1 GLU A 832 5.090 -20.470 6.402 1.00 2.21 O ATOM 891 OE2 GLU A 832 6.397 -19.790 8.031 1.00 1.63 O ATOM 0 H GLU A 832 5.432 -16.001 4.768 1.00 0.18 H new ATOM 0 HA GLU A 832 3.574 -18.142 4.709 1.00 0.21 H new ATOM 0 HB2 GLU A 832 4.670 -16.504 7.027 1.00 0.26 H new ATOM 0 HB3 GLU A 832 3.824 -18.031 7.181 1.00 0.26 H new ATOM 0 HG2 GLU A 832 6.035 -18.280 5.307 1.00 0.92 H new ATOM 0 HG3 GLU A 832 6.595 -17.624 6.833 1.00 0.92 H new ATOM 898 N ASP A 833 2.456 -15.394 6.189 1.00 0.19 N ATOM 899 CA ASP A 833 1.242 -14.647 6.496 1.00 0.19 C ATOM 900 C ASP A 833 0.605 -14.127 5.218 1.00 0.18 C ATOM 901 O ASP A 833 -0.549 -13.700 5.218 1.00 0.18 O ATOM 902 CB ASP A 833 1.550 -13.484 7.442 1.00 0.22 C ATOM 903 CG ASP A 833 1.105 -13.762 8.864 1.00 0.41 C ATOM 904 OD1 ASP A 833 1.805 -14.520 9.569 1.00 0.73 O ATOM 905 OD2 ASP A 833 0.054 -13.224 9.274 1.00 0.73 O ATOM 0 H ASP A 833 3.310 -14.989 6.572 1.00 0.19 H new ATOM 0 HA ASP A 833 0.541 -15.320 6.990 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.622 -13.285 7.432 1.00 0.22 H new ATOM 0 HB3 ASP A 833 1.055 -12.583 7.079 1.00 0.22 H new ATOM 910 N TRP A 834 1.357 -14.183 4.123 1.00 0.17 N ATOM 911 CA TRP A 834 0.848 -13.735 2.836 1.00 0.17 C ATOM 912 C TRP A 834 -0.019 -14.823 2.220 1.00 0.17 C ATOM 913 O TRP A 834 -1.079 -14.546 1.659 1.00 0.19 O ATOM 914 CB TRP A 834 1.997 -13.366 1.893 1.00 0.19 C ATOM 915 CG TRP A 834 1.549 -12.784 0.580 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.186 -12.913 -0.621 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.383 -11.981 0.330 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.495 -12.241 -1.600 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.384 -11.665 -1.043 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.660 -11.500 1.129 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.616 -10.893 -1.629 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.651 -10.736 0.545 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.623 -10.439 -0.823 1.00 0.26 C ATOM 0 H TRP A 834 2.315 -14.532 4.103 1.00 0.17 H new ATOM 0 HA TRP A 834 0.243 -12.842 2.991 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.648 -12.649 2.393 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.594 -14.257 1.699 1.00 0.19 H new ATOM 0 HD1 TRP A 834 3.101 -13.464 -0.779 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.765 -12.181 -2.582 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.690 -11.723 2.185 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.597 -10.661 -2.684 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.461 -10.361 1.153 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.413 -9.839 -1.250 1.00 0.26 H new ATOM 934 N ASN A 835 0.432 -16.066 2.352 1.00 0.18 N ATOM 935 CA ASN A 835 -0.306 -17.208 1.832 1.00 0.20 C ATOM 936 C ASN A 835 -1.484 -17.530 2.743 1.00 0.20 C ATOM 937 O ASN A 835 -2.498 -18.074 2.301 1.00 0.23 O ATOM 938 CB ASN A 835 0.611 -18.427 1.710 1.00 0.23 C ATOM 939 CG ASN A 835 1.403 -18.429 0.418 1.00 1.38 C ATOM 940 OD1 ASN A 835 0.836 -18.485 -0.672 1.00 1.90 O ATOM 941 ND2 ASN A 835 2.725 -18.368 0.536 1.00 1.98 N ATOM 0 H ASN A 835 1.308 -16.307 2.816 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.683 -16.955 0.841 1.00 0.20 H new ATOM 0 HB2 ASN A 835 1.300 -18.446 2.555 1.00 0.23 H new ATOM 0 HB3 ASN A 835 0.012 -19.336 1.767 1.00 0.23 H new ATOM 0 HD21 ASN A 835 3.312 -18.366 -0.298 1.00 1.98 H new ATOM 0 HD22 ASN A 835 3.153 -18.323 1.461 1.00 1.98 H new ATOM 948 N VAL A 836 -1.346 -17.173 4.017 1.00 0.20 N ATOM 949 CA VAL A 836 -2.401 -17.408 4.993 1.00 0.22 C ATOM 950 C VAL A 836 -3.476 -16.338 4.856 1.00 0.22 C ATOM 951 O VAL A 836 -4.670 -16.636 4.877 1.00 0.27 O ATOM 952 CB VAL A 836 -1.848 -17.444 6.442 1.00 0.24 C ATOM 953 CG1 VAL A 836 -1.941 -16.084 7.122 1.00 0.67 C ATOM 954 CG2 VAL A 836 -2.578 -18.501 7.258 1.00 0.62 C ATOM 0 H VAL A 836 -0.514 -16.720 4.395 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.837 -18.386 4.791 1.00 0.22 H new ATOM 0 HB VAL A 836 -0.791 -17.705 6.385 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -1.543 -16.155 8.134 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -1.363 -15.354 6.555 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -2.984 -15.769 7.164 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -2.180 -18.516 8.273 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -3.642 -18.266 7.289 1.00 0.62 H new ATOM 0 HG23 VAL A 836 -2.435 -19.479 6.798 1.00 0.62 H new ATOM 964 N ALA A 837 -3.043 -15.090 4.687 1.00 0.20 N ATOM 965 CA ALA A 837 -3.973 -13.984 4.513 1.00 0.20 C ATOM 966 C ALA A 837 -4.766 -14.174 3.229 1.00 0.20 C ATOM 967 O ALA A 837 -5.918 -13.754 3.124 1.00 0.21 O ATOM 968 CB ALA A 837 -3.232 -12.654 4.487 1.00 0.22 C ATOM 0 H ALA A 837 -2.059 -14.824 4.667 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.661 -13.971 5.358 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -3.947 -11.842 4.356 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.696 -12.518 5.426 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.522 -12.649 3.660 1.00 0.22 H new ATOM 974 N LYS A 838 -4.135 -14.825 2.253 1.00 0.21 N ATOM 975 CA LYS A 838 -4.774 -15.092 0.971 1.00 0.24 C ATOM 976 C LYS A 838 -5.931 -16.067 1.146 1.00 0.24 C ATOM 977 O LYS A 838 -7.033 -15.833 0.650 1.00 0.26 O ATOM 978 CB LYS A 838 -3.753 -15.661 -0.015 1.00 0.28 C ATOM 979 CG LYS A 838 -3.158 -14.619 -0.948 1.00 0.38 C ATOM 980 CD LYS A 838 -1.698 -14.914 -1.268 1.00 0.49 C ATOM 981 CE LYS A 838 -1.512 -16.323 -1.806 1.00 0.68 C ATOM 982 NZ LYS A 838 -0.746 -16.336 -3.084 1.00 0.85 N ATOM 0 H LYS A 838 -3.181 -15.177 2.328 1.00 0.21 H new ATOM 0 HA LYS A 838 -5.166 -14.155 0.575 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.948 -16.137 0.544 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -4.231 -16.439 -0.611 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -3.734 -14.588 -1.873 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -3.238 -13.633 -0.490 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -1.334 -14.194 -2.001 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -1.096 -14.786 -0.369 1.00 0.49 H new ATOM 0 HE2 LYS A 838 -0.990 -16.928 -1.065 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -2.488 -16.783 -1.963 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 -1.002 -17.181 -3.633 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -0.974 -15.484 -3.634 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 0.273 -16.352 -2.878 1.00 0.85 H new ATOM 996 N GLU A 839 -5.672 -17.160 1.861 1.00 0.26 N ATOM 997 CA GLU A 839 -6.692 -18.171 2.110 1.00 0.29 C ATOM 998 C GLU A 839 -7.873 -17.565 2.860 1.00 0.27 C ATOM 999 O GLU A 839 -9.006 -18.030 2.738 1.00 0.31 O ATOM 1000 CB GLU A 839 -6.103 -19.335 2.911 1.00 0.34 C ATOM 1001 CG GLU A 839 -6.964 -20.587 2.887 1.00 0.71 C ATOM 1002 CD GLU A 839 -6.269 -21.785 3.505 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -6.267 -21.893 4.750 1.00 1.82 O ATOM 1004 OE2 GLU A 839 -5.727 -22.615 2.745 1.00 1.95 O ATOM 0 H GLU A 839 -4.764 -17.366 2.277 1.00 0.26 H new ATOM 0 HA GLU A 839 -7.045 -18.547 1.150 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -5.116 -19.575 2.515 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -5.964 -19.020 3.945 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -7.893 -20.395 3.423 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -7.232 -20.819 1.856 1.00 0.71 H new ATOM 1011 N MET A 840 -7.597 -16.517 3.631 1.00 0.25 N ATOM 1012 CA MET A 840 -8.632 -15.833 4.399 1.00 0.24 C ATOM 1013 C MET A 840 -9.529 -15.013 3.475 1.00 0.24 C ATOM 1014 O MET A 840 -10.742 -14.943 3.671 1.00 0.27 O ATOM 1015 CB MET A 840 -7.989 -14.932 5.461 1.00 0.24 C ATOM 1016 CG MET A 840 -8.827 -13.721 5.845 1.00 0.26 C ATOM 1017 SD MET A 840 -7.866 -12.448 6.685 1.00 0.30 S ATOM 1018 CE MET A 840 -7.179 -11.561 5.289 1.00 0.27 C ATOM 0 H MET A 840 -6.663 -16.122 3.740 1.00 0.25 H new ATOM 0 HA MET A 840 -9.248 -16.580 4.899 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.797 -15.525 6.355 1.00 0.24 H new ATOM 0 HB3 MET A 840 -7.022 -14.588 5.092 1.00 0.24 H new ATOM 0 HG2 MET A 840 -9.278 -13.297 4.948 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.644 -14.040 6.492 1.00 0.26 H new ATOM 0 HE1 MET A 840 -6.140 -11.306 5.496 1.00 0.27 H new ATOM 0 HE2 MET A 840 -7.228 -12.189 4.399 1.00 0.27 H new ATOM 0 HE3 MET A 840 -7.750 -10.648 5.121 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.920 -14.398 2.465 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.657 -13.584 1.506 1.00 0.24 C ATOM 1030 C LEU A 841 -10.483 -14.460 0.570 1.00 0.24 C ATOM 1031 O LEU A 841 -11.411 -13.982 -0.081 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.690 -12.722 0.690 1.00 0.26 C ATOM 1033 CG LEU A 841 -8.108 -11.519 1.435 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.703 -11.216 0.939 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -9.007 -10.303 1.266 1.00 0.38 C ATOM 0 H LEU A 841 -7.916 -14.449 2.290 1.00 0.22 H new ATOM 0 HA LEU A 841 -10.334 -12.936 2.062 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.868 -13.350 0.347 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -9.209 -12.363 -0.199 1.00 0.26 H new ATOM 0 HG LEU A 841 -8.054 -11.763 2.496 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -6.304 -10.358 1.479 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -6.063 -12.082 1.109 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.734 -10.991 -0.127 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -8.578 -9.456 1.802 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -9.091 -10.057 0.207 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.996 -10.523 1.667 1.00 0.38 H new ATOM 1047 N ALA A 842 -10.140 -15.741 0.506 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.850 -16.681 -0.354 1.00 0.35 C ATOM 1049 C ALA A 842 -12.164 -17.125 0.276 1.00 0.36 C ATOM 1050 O ALA A 842 -13.122 -17.447 -0.428 1.00 0.49 O ATOM 1051 CB ALA A 842 -9.983 -17.889 -0.644 1.00 0.49 C ATOM 0 H ALA A 842 -9.374 -16.153 1.039 1.00 0.30 H new ATOM 0 HA ALA A 842 -11.076 -16.169 -1.289 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -10.527 -18.581 -1.287 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -9.070 -17.569 -1.146 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -9.728 -18.387 0.292 1.00 0.49 H new ATOM 1057 N GLU A 843 -12.203 -17.138 1.604 1.00 0.34 N ATOM 1058 CA GLU A 843 -13.401 -17.540 2.329 1.00 0.42 C ATOM 1059 C GLU A 843 -14.541 -16.557 2.077 1.00 0.53 C ATOM 1060 O GLU A 843 -15.638 -16.711 2.616 1.00 0.69 O ATOM 1061 CB GLU A 843 -13.113 -17.627 3.828 1.00 0.45 C ATOM 1062 CG GLU A 843 -13.744 -18.834 4.502 1.00 0.57 C ATOM 1063 CD GLU A 843 -12.727 -19.708 5.206 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -12.317 -19.353 6.332 1.00 1.36 O ATOM 1065 OE2 GLU A 843 -12.338 -20.749 4.633 1.00 1.68 O ATOM 0 H GLU A 843 -11.418 -16.875 2.200 1.00 0.34 H new ATOM 0 HA GLU A 843 -13.701 -18.523 1.967 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -12.034 -17.659 3.980 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -13.476 -16.720 4.312 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -14.487 -18.495 5.224 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -14.272 -19.427 3.755 1.00 0.57 H new ATOM 1072 N ASN A 844 -14.273 -15.549 1.253 1.00 0.54 N ATOM 1073 CA ASN A 844 -15.275 -14.537 0.927 1.00 0.77 C ATOM 1074 C ASN A 844 -15.129 -14.074 -0.521 1.00 0.81 C ATOM 1075 O ASN A 844 -15.708 -13.063 -0.920 1.00 1.48 O ATOM 1076 CB ASN A 844 -15.153 -13.337 1.870 1.00 0.89 C ATOM 1077 CG ASN A 844 -14.329 -13.647 3.106 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -13.160 -13.275 3.195 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -14.940 -14.330 4.065 1.00 1.05 N ATOM 0 H ASN A 844 -13.371 -15.410 0.798 1.00 0.54 H new ATOM 0 HA ASN A 844 -16.260 -14.988 1.052 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -14.698 -12.504 1.334 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -16.149 -13.015 2.173 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -14.438 -14.568 4.921 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -15.911 -14.618 3.947 1.00 1.05 H new ATOM 1086 N ASN A 845 -14.350 -14.822 -1.301 1.00 0.49 N ATOM 1087 CA ASN A 845 -14.122 -14.494 -2.706 1.00 0.56 C ATOM 1088 C ASN A 845 -13.518 -13.099 -2.853 1.00 0.48 C ATOM 1089 O ASN A 845 -13.564 -12.502 -3.927 1.00 0.57 O ATOM 1090 CB ASN A 845 -15.430 -14.582 -3.495 1.00 0.73 C ATOM 1091 CG ASN A 845 -15.600 -15.923 -4.183 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -14.681 -16.421 -4.834 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -16.780 -16.515 -4.041 1.00 1.97 N ATOM 0 H ASN A 845 -13.865 -15.661 -0.982 1.00 0.49 H new ATOM 0 HA ASN A 845 -13.415 -15.219 -3.108 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -16.270 -14.413 -2.821 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -15.455 -13.788 -4.241 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -16.953 -17.419 -4.481 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -17.513 -16.066 -3.492 1.00 1.97 H new ATOM 1100 N GLU A 846 -12.950 -12.591 -1.764 1.00 0.35 N ATOM 1101 CA GLU A 846 -12.334 -11.269 -1.768 1.00 0.31 C ATOM 1102 C GLU A 846 -10.988 -11.298 -2.485 1.00 0.30 C ATOM 1103 O GLU A 846 -10.438 -12.367 -2.752 1.00 0.49 O ATOM 1104 CB GLU A 846 -12.146 -10.760 -0.337 1.00 0.33 C ATOM 1105 CG GLU A 846 -13.353 -10.021 0.230 1.00 0.44 C ATOM 1106 CD GLU A 846 -14.318 -9.541 -0.841 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -14.053 -8.486 -1.449 1.00 2.30 O ATOM 1108 OE2 GLU A 846 -15.339 -10.225 -1.069 1.00 1.69 O ATOM 0 H GLU A 846 -12.904 -13.075 -0.867 1.00 0.35 H new ATOM 0 HA GLU A 846 -13.000 -10.592 -2.302 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -11.916 -11.607 0.310 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -11.283 -10.095 -0.311 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -13.883 -10.679 0.919 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -13.008 -9.165 0.809 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.464 -10.116 -2.793 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.180 -10.004 -3.477 1.00 0.31 C ATOM 1117 C LYS A 847 -8.577 -8.616 -3.285 1.00 0.36 C ATOM 1118 O LYS A 847 -7.662 -8.220 -4.009 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.344 -10.300 -4.969 1.00 0.38 C ATOM 1120 CG LYS A 847 -10.523 -9.586 -5.607 1.00 0.69 C ATOM 1121 CD LYS A 847 -11.248 -10.484 -6.597 1.00 0.97 C ATOM 1122 CE LYS A 847 -11.878 -9.678 -7.722 1.00 1.32 C ATOM 1123 NZ LYS A 847 -11.380 -10.105 -9.058 1.00 1.98 N ATOM 0 H LYS A 847 -10.908 -9.223 -2.580 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.502 -10.737 -3.041 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -8.431 -10.012 -5.490 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -9.464 -11.375 -5.106 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -11.217 -9.263 -4.831 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -10.174 -8.688 -6.117 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -10.548 -11.207 -7.014 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -12.020 -11.051 -6.078 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -12.962 -9.790 -7.686 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -11.662 -8.620 -7.575 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -11.834 -9.531 -9.797 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -10.349 -9.974 -9.102 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -11.609 -11.108 -9.209 1.00 1.98 H new ATOM 1137 N PHE A 848 -9.092 -7.882 -2.304 1.00 0.32 N ATOM 1138 CA PHE A 848 -8.602 -6.538 -2.014 1.00 0.37 C ATOM 1139 C PHE A 848 -7.899 -6.500 -0.660 1.00 0.30 C ATOM 1140 O PHE A 848 -8.530 -6.678 0.382 1.00 0.39 O ATOM 1141 CB PHE A 848 -9.756 -5.535 -2.034 1.00 0.50 C ATOM 1142 CG PHE A 848 -10.543 -5.550 -3.313 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -10.029 -4.976 -4.464 1.00 0.92 C ATOM 1144 CD2 PHE A 848 -11.798 -6.135 -3.363 1.00 0.82 C ATOM 1145 CE1 PHE A 848 -10.752 -4.986 -5.643 1.00 1.09 C ATOM 1146 CE2 PHE A 848 -12.527 -6.146 -4.539 1.00 1.02 C ATOM 1147 CZ PHE A 848 -11.994 -5.583 -5.684 1.00 0.98 C ATOM 0 H PHE A 848 -9.849 -8.195 -1.696 1.00 0.32 H new ATOM 0 HA PHE A 848 -7.883 -6.264 -2.786 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -10.427 -5.749 -1.202 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -9.358 -4.533 -1.874 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -9.052 -4.515 -4.441 1.00 0.92 H new ATOM 0 HD2 PHE A 848 -12.212 -6.588 -2.474 1.00 0.82 H new ATOM 0 HE1 PHE A 848 -10.344 -4.526 -6.531 1.00 1.09 H new ATOM 0 HE2 PHE A 848 -13.510 -6.593 -4.563 1.00 1.02 H new ATOM 0 HZ PHE A 848 -12.550 -5.611 -6.609 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.590 -6.271 -0.684 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.799 -6.215 0.538 1.00 0.23 C ATOM 1159 C LEU A 849 -5.520 -4.768 0.942 1.00 0.24 C ATOM 1160 O LEU A 849 -5.087 -3.959 0.120 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.481 -6.975 0.342 1.00 0.26 C ATOM 1162 CG LEU A 849 -3.993 -7.797 1.544 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -3.131 -6.942 2.456 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -5.161 -8.396 2.320 1.00 0.74 C ATOM 0 H LEU A 849 -6.054 -6.121 -1.539 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.368 -6.686 1.339 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.595 -7.646 -0.510 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.705 -6.256 0.080 1.00 0.26 H new ATOM 0 HG LEU A 849 -3.390 -8.621 1.162 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -2.793 -7.539 3.303 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -2.266 -6.577 1.902 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -3.714 -6.095 2.819 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -4.780 -8.971 3.164 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -5.803 -7.595 2.687 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.736 -9.050 1.665 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.777 -4.452 2.209 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.561 -3.103 2.726 1.00 0.29 C ATOM 1178 C ASN A 850 -4.204 -2.983 3.414 1.00 0.30 C ATOM 1179 O ASN A 850 -3.657 -3.969 3.910 1.00 0.43 O ATOM 1180 CB ASN A 850 -6.670 -2.727 3.708 1.00 0.37 C ATOM 1181 CG ASN A 850 -7.675 -1.766 3.104 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -7.323 -0.905 2.299 1.00 1.52 O ATOM 1183 ND2 ASN A 850 -8.937 -1.905 3.496 1.00 0.92 N ATOM 0 H ASN A 850 -6.136 -5.113 2.898 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.579 -2.417 1.879 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -7.185 -3.631 4.033 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -6.228 -2.275 4.596 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -9.657 -1.284 3.127 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -9.186 -2.633 4.166 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.667 -1.764 3.441 1.00 0.31 N ATOM 1191 CA ILE A 851 -2.374 -1.506 4.069 1.00 0.36 C ATOM 1192 C ILE A 851 -2.425 -0.250 4.933 1.00 0.53 C ATOM 1193 O ILE A 851 -3.363 0.540 4.836 1.00 0.71 O ATOM 1194 CB ILE A 851 -1.260 -1.351 3.024 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.525 -2.296 1.852 1.00 0.54 C ATOM 1196 CG2 ILE A 851 0.102 -1.607 3.652 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -0.769 -3.611 1.909 1.00 1.04 C ATOM 0 H ILE A 851 -4.109 -0.939 3.035 1.00 0.31 H new ATOM 0 HA ILE A 851 -2.151 -2.369 4.697 1.00 0.36 H new ATOM 0 HB ILE A 851 -1.256 -0.328 2.647 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -2.593 -2.509 1.810 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -1.265 -1.784 0.925 1.00 0.54 H new ATOM 0 HG21 ILE A 851 0.879 -1.493 2.896 1.00 0.53 H new ATOM 0 HG22 ILE A 851 0.271 -0.892 4.457 1.00 0.53 H new ATOM 0 HG23 ILE A 851 0.133 -2.620 4.053 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -1.021 -4.214 1.037 1.00 1.04 H new ATOM 0 HD12 ILE A 851 0.303 -3.414 1.917 1.00 1.04 H new ATOM 0 HD13 ILE A 851 -1.045 -4.151 2.815 1.00 1.04 H new