USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=12 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 -105:sc= 0.357 USER MOD Set 1.2: A 850 ASN :FLIP amide:sc= 0.252 F(o=-0.55,f=0.61) USER MOD Single : A 787 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN :FLIP amide:sc= -0.692 F(o=-2.4,f=-0.69) USER MOD Single : A 796 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 799 ASN : amide:sc= -0.0569 K(o=-0.057,f=-3.1!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0174) USER MOD Single : A 803 SER OG : rot 48:sc= 0.223 USER MOD Single : A 814 THR OG1 : rot 180:sc= 0 USER MOD Single : A 815 LYS NZ :NH3+ -164:sc= -0.0908 (180deg=-0.446) USER MOD Single : A 817 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 TYR OH : rot 134:sc= 0.235 USER MOD Single : A 819 GLN : amide:sc= 0.272 X(o=0.27,f=0) USER MOD Single : A 830 SER OG : rot 180:sc= -0.127 USER MOD Single : A 835 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.3) USER MOD Single : A 838 LYS NZ :NH3+ 172:sc= 0.161 (180deg=0.139) USER MOD Single : A 840 MET CE :methyl 157:sc= -0.0463 (180deg=-0.451) USER MOD Single : A 844 ASN : amide:sc= -0.508 X(o=-0.51,f=-0.52) USER MOD Single : A 845 ASN : amide:sc=-7.39e-05 X(o=-7.4e-05,f=-0.069) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ILE A 780 -3.925 4.093 3.413 1.00 0.79 N ATOM 56 CA ILE A 780 -4.176 2.685 3.133 1.00 0.51 C ATOM 57 C ILE A 780 -3.812 2.343 1.693 1.00 0.46 C ATOM 58 O ILE A 780 -3.638 3.232 0.860 1.00 0.53 O ATOM 59 CB ILE A 780 -5.653 2.314 3.381 1.00 0.43 C ATOM 60 CG1 ILE A 780 -6.226 3.134 4.540 1.00 0.64 C ATOM 61 CG2 ILE A 780 -5.786 0.826 3.663 1.00 0.58 C ATOM 62 CD1 ILE A 780 -7.714 3.384 4.423 1.00 1.22 C ATOM 0 HA ILE A 780 -3.548 2.109 3.813 1.00 0.51 H new ATOM 0 HB ILE A 780 -6.223 2.547 2.482 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -6.025 2.614 5.477 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -5.707 4.091 4.589 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -6.834 0.581 3.836 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -5.417 0.259 2.808 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -5.203 0.570 4.547 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -8.053 3.970 5.277 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -7.920 3.931 3.503 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -8.243 2.431 4.405 1.00 1.22 H new ATOM 74 N PHE A 781 -3.702 1.049 1.405 1.00 0.39 N ATOM 75 CA PHE A 781 -3.365 0.593 0.065 1.00 0.36 C ATOM 76 C PHE A 781 -4.121 -0.686 -0.265 1.00 0.30 C ATOM 77 O PHE A 781 -3.602 -1.789 -0.098 1.00 0.35 O ATOM 78 CB PHE A 781 -1.856 0.362 -0.063 1.00 0.41 C ATOM 79 CG PHE A 781 -1.101 1.550 -0.596 1.00 0.45 C ATOM 80 CD1 PHE A 781 -1.650 2.356 -1.584 1.00 0.73 C ATOM 81 CD2 PHE A 781 0.158 1.863 -0.107 1.00 0.81 C ATOM 82 CE1 PHE A 781 -0.958 3.448 -2.072 1.00 0.80 C ATOM 83 CE2 PHE A 781 0.853 2.953 -0.593 1.00 0.94 C ATOM 84 CZ PHE A 781 0.296 3.747 -1.576 1.00 0.73 C ATOM 0 H PHE A 781 -3.842 0.300 2.083 1.00 0.39 H new ATOM 0 HA PHE A 781 -3.658 1.367 -0.644 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -1.454 0.098 0.915 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -1.683 -0.491 -0.720 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -2.630 2.127 -1.976 1.00 0.73 H new ATOM 0 HD2 PHE A 781 0.600 1.248 0.663 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -1.397 4.067 -2.840 1.00 0.80 H new ATOM 0 HE2 PHE A 781 1.833 3.185 -0.204 1.00 0.94 H new ATOM 0 HZ PHE A 781 0.839 4.599 -1.956 1.00 0.73 H new ATOM 94 N THR A 782 -5.352 -0.527 -0.736 1.00 0.28 N ATOM 95 CA THR A 782 -6.184 -1.669 -1.090 1.00 0.29 C ATOM 96 C THR A 782 -6.128 -1.928 -2.587 1.00 0.35 C ATOM 97 O THR A 782 -6.754 -1.221 -3.379 1.00 0.52 O ATOM 98 CB THR A 782 -7.652 -1.458 -0.684 1.00 0.41 C ATOM 99 OG1 THR A 782 -7.729 -0.577 0.443 1.00 0.67 O ATOM 100 CG2 THR A 782 -8.315 -2.786 -0.348 1.00 0.44 C ATOM 0 H THR A 782 -5.795 0.380 -0.881 1.00 0.28 H new ATOM 0 HA THR A 782 -5.788 -2.526 -0.545 1.00 0.29 H new ATOM 0 HB THR A 782 -8.179 -1.011 -1.527 1.00 0.41 H new ATOM 0 HG1 THR A 782 -7.938 -1.094 1.249 1.00 0.67 H new ATOM 0 HG21 THR A 782 -9.353 -2.613 -0.064 1.00 0.44 H new ATOM 0 HG22 THR A 782 -8.282 -3.440 -1.219 1.00 0.44 H new ATOM 0 HG23 THR A 782 -7.786 -3.258 0.480 1.00 0.44 H new ATOM 108 N LEU A 783 -5.371 -2.947 -2.964 1.00 0.40 N ATOM 109 CA LEU A 783 -5.219 -3.311 -4.368 1.00 0.56 C ATOM 110 C LEU A 783 -5.866 -4.660 -4.648 1.00 0.58 C ATOM 111 O LEU A 783 -6.618 -5.177 -3.828 1.00 0.99 O ATOM 112 CB LEU A 783 -3.738 -3.369 -4.751 1.00 0.67 C ATOM 113 CG LEU A 783 -2.791 -2.620 -3.815 1.00 0.94 C ATOM 114 CD1 LEU A 783 -1.449 -3.329 -3.749 1.00 1.57 C ATOM 115 CD2 LEU A 783 -2.615 -1.183 -4.276 1.00 1.53 C ATOM 0 H LEU A 783 -4.850 -3.539 -2.317 1.00 0.40 H new ATOM 0 HA LEU A 783 -5.715 -2.547 -4.967 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -3.431 -4.414 -4.791 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -3.624 -2.964 -5.757 1.00 0.67 H new ATOM 0 HG LEU A 783 -3.225 -2.607 -2.815 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -0.783 -2.786 -3.079 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -1.591 -4.343 -3.375 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -1.009 -3.368 -4.745 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -1.937 -0.664 -3.598 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -2.199 -1.172 -5.283 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -3.582 -0.680 -4.278 1.00 1.53 H new ATOM 127 N LEU A 784 -5.557 -5.225 -5.808 1.00 0.27 N ATOM 128 CA LEU A 784 -6.095 -6.522 -6.196 1.00 0.26 C ATOM 129 C LEU A 784 -4.963 -7.518 -6.392 1.00 0.23 C ATOM 130 O LEU A 784 -4.160 -7.389 -7.318 1.00 0.29 O ATOM 131 CB LEU A 784 -6.919 -6.403 -7.476 1.00 0.31 C ATOM 132 CG LEU A 784 -7.464 -7.723 -8.026 1.00 0.51 C ATOM 133 CD1 LEU A 784 -8.977 -7.661 -8.166 1.00 0.81 C ATOM 134 CD2 LEU A 784 -6.818 -8.051 -9.363 1.00 0.75 C ATOM 0 H LEU A 784 -4.935 -4.804 -6.498 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.748 -6.878 -5.399 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -7.758 -5.733 -7.288 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -6.303 -5.935 -8.244 1.00 0.31 H new ATOM 0 HG LEU A 784 -7.217 -8.516 -7.320 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -9.345 -8.609 -8.558 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -9.425 -7.474 -7.190 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -9.246 -6.856 -8.850 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -7.218 -8.993 -9.739 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -7.033 -7.255 -10.076 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -5.739 -8.140 -9.234 1.00 0.75 H new ATOM 146 N VAL A 785 -4.898 -8.504 -5.510 1.00 0.25 N ATOM 147 CA VAL A 785 -3.857 -9.518 -5.575 1.00 0.30 C ATOM 148 C VAL A 785 -4.400 -10.829 -6.137 1.00 0.34 C ATOM 149 O VAL A 785 -5.602 -11.087 -6.083 1.00 0.55 O ATOM 150 CB VAL A 785 -3.242 -9.770 -4.185 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.812 -8.456 -3.546 1.00 1.11 C ATOM 152 CG2 VAL A 785 -4.223 -10.509 -3.285 1.00 1.18 C ATOM 0 H VAL A 785 -5.555 -8.623 -4.739 1.00 0.25 H new ATOM 0 HA VAL A 785 -3.081 -9.143 -6.243 1.00 0.30 H new ATOM 0 HB VAL A 785 -2.359 -10.397 -4.311 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.380 -8.653 -2.565 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -2.069 -7.970 -4.179 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -3.679 -7.804 -3.437 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -3.767 -10.676 -2.309 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -5.128 -9.913 -3.166 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -4.478 -11.468 -3.735 1.00 1.18 H new ATOM 162 N GLU A 786 -3.506 -11.651 -6.679 1.00 0.38 N ATOM 163 CA GLU A 786 -3.897 -12.935 -7.253 1.00 0.42 C ATOM 164 C GLU A 786 -3.554 -14.083 -6.308 1.00 0.46 C ATOM 165 O GLU A 786 -2.861 -13.892 -5.308 1.00 0.48 O ATOM 166 CB GLU A 786 -3.203 -13.147 -8.600 1.00 0.43 C ATOM 167 CG GLU A 786 -3.959 -14.075 -9.535 1.00 0.56 C ATOM 168 CD GLU A 786 -5.054 -13.363 -10.305 1.00 0.75 C ATOM 169 OE1 GLU A 786 -4.735 -12.419 -11.056 1.00 1.02 O ATOM 170 OE2 GLU A 786 -6.232 -13.752 -10.156 1.00 1.40 O ATOM 0 H GLU A 786 -2.507 -11.451 -6.733 1.00 0.38 H new ATOM 0 HA GLU A 786 -4.976 -12.922 -7.404 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -3.072 -12.181 -9.088 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.207 -13.553 -8.426 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -3.259 -14.525 -10.239 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -4.397 -14.889 -8.957 1.00 0.56 H new ATOM 177 N LYS A 787 -4.040 -15.277 -6.636 1.00 0.51 N ATOM 178 CA LYS A 787 -3.783 -16.461 -5.822 1.00 0.57 C ATOM 179 C LYS A 787 -2.433 -17.077 -6.181 1.00 0.60 C ATOM 180 O LYS A 787 -2.224 -18.279 -6.021 1.00 1.07 O ATOM 181 CB LYS A 787 -4.896 -17.491 -6.014 1.00 0.64 C ATOM 182 CG LYS A 787 -6.211 -17.095 -5.365 1.00 1.29 C ATOM 183 CD LYS A 787 -7.257 -16.727 -6.405 1.00 1.49 C ATOM 184 CE LYS A 787 -8.375 -17.754 -6.456 1.00 2.24 C ATOM 185 NZ LYS A 787 -9.440 -17.465 -5.457 1.00 2.85 N ATOM 0 H LYS A 787 -4.615 -15.450 -7.461 1.00 0.51 H new ATOM 0 HA LYS A 787 -3.760 -16.158 -4.775 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -5.059 -17.643 -7.081 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -4.570 -18.446 -5.602 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -6.579 -17.919 -4.753 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -6.048 -16.250 -4.696 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -7.672 -15.746 -6.174 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -6.786 -16.651 -7.385 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -8.809 -17.769 -7.456 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -7.965 -18.747 -6.272 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -10.184 -18.188 -5.524 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -9.031 -17.476 -4.501 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -9.850 -16.528 -5.647 1.00 2.85 H new ATOM 199 N VAL A 788 -1.524 -16.240 -6.671 1.00 0.29 N ATOM 200 CA VAL A 788 -0.194 -16.687 -7.060 1.00 0.29 C ATOM 201 C VAL A 788 0.866 -15.704 -6.572 1.00 0.26 C ATOM 202 O VAL A 788 2.025 -16.068 -6.370 1.00 0.29 O ATOM 203 CB VAL A 788 -0.085 -16.829 -8.595 1.00 0.32 C ATOM 204 CG1 VAL A 788 -0.681 -15.612 -9.285 1.00 0.31 C ATOM 205 CG2 VAL A 788 1.361 -17.032 -9.025 1.00 0.33 C ATOM 0 H VAL A 788 -1.687 -15.243 -6.808 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.026 -17.661 -6.600 1.00 0.29 H new ATOM 0 HB VAL A 788 -0.652 -17.711 -8.894 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -0.596 -15.728 -10.365 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -1.732 -15.517 -9.012 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.143 -14.717 -8.973 1.00 0.31 H new ATOM 0 HG21 VAL A 788 1.408 -17.129 -10.110 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.958 -16.175 -8.711 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.754 -17.937 -8.563 1.00 0.33 H new ATOM 215 N TRP A 789 0.453 -14.455 -6.390 1.00 0.21 N ATOM 216 CA TRP A 789 1.354 -13.404 -5.938 1.00 0.18 C ATOM 217 C TRP A 789 2.096 -13.798 -4.668 1.00 0.18 C ATOM 218 O TRP A 789 1.483 -14.092 -3.642 1.00 0.19 O ATOM 219 CB TRP A 789 0.579 -12.114 -5.680 1.00 0.18 C ATOM 220 CG TRP A 789 0.262 -11.354 -6.927 1.00 0.20 C ATOM 221 CD1 TRP A 789 0.318 -11.818 -8.211 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.158 -9.991 -7.012 1.00 0.22 C ATOM 223 NE1 TRP A 789 -0.038 -10.826 -9.086 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.337 -9.692 -8.375 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.399 -8.995 -6.063 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -0.747 -8.434 -8.812 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.807 -7.749 -6.498 1.00 0.28 C ATOM 228 CH2 TRP A 789 -0.978 -7.477 -7.860 1.00 0.30 C ATOM 0 H TRP A 789 -0.506 -14.145 -6.550 1.00 0.21 H new ATOM 0 HA TRP A 789 2.086 -13.249 -6.731 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.350 -12.354 -5.163 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.160 -11.477 -5.013 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.602 -12.821 -8.495 1.00 0.22 H new ATOM 0 HE1 TRP A 789 -0.075 -10.916 -10.101 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.269 -9.195 -5.010 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -0.878 -8.221 -9.863 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -0.997 -6.971 -5.774 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -1.299 -6.492 -8.167 1.00 0.30 H new ATOM 239 N ASN A 790 3.419 -13.765 -4.737 1.00 0.18 N ATOM 240 CA ASN A 790 4.251 -14.077 -3.585 1.00 0.20 C ATOM 241 C ASN A 790 4.557 -12.786 -2.839 1.00 0.18 C ATOM 242 O ASN A 790 4.330 -11.701 -3.373 1.00 0.20 O ATOM 243 CB ASN A 790 5.552 -14.756 -4.024 1.00 0.24 C ATOM 244 CG ASN A 790 5.646 -14.918 -5.529 1.00 0.93 C ATOM 245 OD1 ASN A 790 6.071 -13.862 -6.213 1.00 1.89 O flip ATOM 246 ND2 ASN A 790 5.339 -15.979 -6.072 1.00 0.77 N flip ATOM 0 H ASN A 790 3.940 -13.525 -5.581 1.00 0.18 H new ATOM 0 HA ASN A 790 3.718 -14.766 -2.930 1.00 0.20 H new ATOM 0 HB2 ASN A 790 6.400 -14.169 -3.672 1.00 0.24 H new ATOM 0 HB3 ASN A 790 5.624 -15.736 -3.552 1.00 0.24 H new ATOM 0 HD21 ASN A 790 5.017 -16.766 -5.508 1.00 0.77 H new ATOM 0 HD22 ASN A 790 5.407 -16.071 -7.086 1.00 0.77 H new ATOM 253 N PHE A 791 5.059 -12.891 -1.615 1.00 0.20 N ATOM 254 CA PHE A 791 5.377 -11.697 -0.834 1.00 0.20 C ATOM 255 C PHE A 791 6.273 -10.768 -1.638 1.00 0.16 C ATOM 256 O PHE A 791 6.232 -9.549 -1.469 1.00 0.17 O ATOM 257 CB PHE A 791 6.052 -12.081 0.486 1.00 0.26 C ATOM 258 CG PHE A 791 6.480 -10.900 1.314 1.00 0.35 C ATOM 259 CD1 PHE A 791 5.551 -10.181 2.052 1.00 0.44 C ATOM 260 CD2 PHE A 791 7.809 -10.513 1.355 1.00 0.47 C ATOM 261 CE1 PHE A 791 5.943 -9.098 2.814 1.00 0.57 C ATOM 262 CE2 PHE A 791 8.207 -9.430 2.116 1.00 0.59 C ATOM 263 CZ PHE A 791 7.273 -8.722 2.847 1.00 0.63 C ATOM 0 H PHE A 791 5.253 -13.775 -1.145 1.00 0.20 H new ATOM 0 HA PHE A 791 4.448 -11.175 -0.604 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.365 -12.693 1.070 1.00 0.26 H new ATOM 0 HB3 PHE A 791 6.925 -12.698 0.271 1.00 0.26 H new ATOM 0 HD1 PHE A 791 4.511 -10.471 2.030 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.543 -11.064 0.786 1.00 0.47 H new ATOM 0 HE1 PHE A 791 5.211 -8.545 3.384 1.00 0.57 H new ATOM 0 HE2 PHE A 791 9.246 -9.138 2.139 1.00 0.59 H new ATOM 0 HZ PHE A 791 7.581 -7.876 3.443 1.00 0.63 H new ATOM 273 N ASP A 792 7.060 -11.349 -2.536 1.00 0.17 N ATOM 274 CA ASP A 792 7.941 -10.569 -3.387 1.00 0.17 C ATOM 275 C ASP A 792 7.114 -9.758 -4.376 1.00 0.16 C ATOM 276 O ASP A 792 7.217 -8.534 -4.425 1.00 0.19 O ATOM 277 CB ASP A 792 8.906 -11.486 -4.139 1.00 0.22 C ATOM 278 CG ASP A 792 9.955 -10.712 -4.915 1.00 1.17 C ATOM 279 OD1 ASP A 792 9.650 -10.263 -6.039 1.00 2.05 O ATOM 280 OD2 ASP A 792 11.080 -10.555 -4.396 1.00 1.47 O ATOM 0 H ASP A 792 7.104 -12.356 -2.691 1.00 0.17 H new ATOM 0 HA ASP A 792 8.523 -9.890 -2.764 1.00 0.17 H new ATOM 0 HB2 ASP A 792 9.400 -12.150 -3.429 1.00 0.22 H new ATOM 0 HB3 ASP A 792 8.342 -12.117 -4.826 1.00 0.22 H new ATOM 285 N ASP A 793 6.277 -10.454 -5.146 1.00 0.17 N ATOM 286 CA ASP A 793 5.414 -9.802 -6.123 1.00 0.18 C ATOM 287 C ASP A 793 4.527 -8.770 -5.437 1.00 0.17 C ATOM 288 O ASP A 793 4.204 -7.731 -6.012 1.00 0.24 O ATOM 289 CB ASP A 793 4.553 -10.837 -6.846 1.00 0.19 C ATOM 290 CG ASP A 793 4.383 -10.522 -8.319 1.00 0.56 C ATOM 291 OD1 ASP A 793 3.890 -9.420 -8.637 1.00 1.07 O ATOM 292 OD2 ASP A 793 4.740 -11.379 -9.155 1.00 1.04 O ATOM 0 H ASP A 793 6.181 -11.469 -5.110 1.00 0.17 H new ATOM 0 HA ASP A 793 6.041 -9.295 -6.856 1.00 0.18 H new ATOM 0 HB2 ASP A 793 5.007 -11.822 -6.738 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.573 -10.884 -6.372 1.00 0.19 H new ATOM 297 N LEU A 794 4.151 -9.062 -4.194 1.00 0.14 N ATOM 298 CA LEU A 794 3.315 -8.157 -3.415 1.00 0.15 C ATOM 299 C LEU A 794 4.054 -6.850 -3.171 1.00 0.15 C ATOM 300 O LEU A 794 3.544 -5.768 -3.465 1.00 0.17 O ATOM 301 CB LEU A 794 2.933 -8.791 -2.074 1.00 0.19 C ATOM 302 CG LEU A 794 1.891 -8.015 -1.270 1.00 0.26 C ATOM 303 CD1 LEU A 794 0.610 -7.844 -2.072 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.608 -8.713 0.051 1.00 0.70 C ATOM 0 H LEU A 794 4.413 -9.919 -3.706 1.00 0.14 H new ATOM 0 HA LEU A 794 2.404 -7.959 -3.979 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.554 -9.796 -2.259 1.00 0.19 H new ATOM 0 HB3 LEU A 794 3.833 -8.896 -1.469 1.00 0.19 H new ATOM 0 HG LEU A 794 2.292 -7.025 -1.056 1.00 0.26 H new ATOM 0 HD11 LEU A 794 -0.118 -7.289 -1.481 1.00 0.93 H new ATOM 0 HD12 LEU A 794 0.826 -7.296 -2.990 1.00 0.93 H new ATOM 0 HD13 LEU A 794 0.203 -8.824 -2.321 1.00 0.93 H new ATOM 0 HD21 LEU A 794 0.864 -8.146 0.610 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.230 -9.717 -0.142 1.00 0.70 H new ATOM 0 HD23 LEU A 794 2.527 -8.777 0.633 1.00 0.70 H new ATOM 316 N ILE A 795 5.263 -6.965 -2.636 1.00 0.19 N ATOM 317 CA ILE A 795 6.093 -5.804 -2.351 1.00 0.22 C ATOM 318 C ILE A 795 6.320 -4.967 -3.604 1.00 0.21 C ATOM 319 O ILE A 795 6.532 -3.764 -3.517 1.00 0.23 O ATOM 320 CB ILE A 795 7.449 -6.223 -1.754 1.00 0.26 C ATOM 321 CG1 ILE A 795 7.249 -6.871 -0.378 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.394 -5.034 -1.653 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.561 -5.972 0.628 1.00 0.32 C ATOM 0 H ILE A 795 5.692 -7.857 -2.390 1.00 0.19 H new ATOM 0 HA ILE A 795 5.559 -5.199 -1.618 1.00 0.22 H new ATOM 0 HB ILE A 795 7.902 -6.955 -2.422 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.662 -7.782 -0.498 1.00 0.30 H new ATOM 0 HG13 ILE A 795 8.220 -7.167 0.018 1.00 0.30 H new ATOM 0 HG21 ILE A 795 9.344 -5.359 -1.228 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.564 -4.619 -2.646 1.00 0.28 H new ATOM 0 HG23 ILE A 795 7.952 -4.271 -1.012 1.00 0.28 H new ATOM 0 HD11 ILE A 795 6.456 -6.500 1.576 1.00 0.32 H new ATOM 0 HD12 ILE A 795 7.157 -5.072 0.779 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.575 -5.696 0.255 1.00 0.32 H new ATOM 335 N MET A 796 6.265 -5.605 -4.770 1.00 0.23 N ATOM 336 CA MET A 796 6.455 -4.893 -6.029 1.00 0.26 C ATOM 337 C MET A 796 5.295 -3.938 -6.281 1.00 0.23 C ATOM 338 O MET A 796 5.502 -2.772 -6.619 1.00 0.22 O ATOM 339 CB MET A 796 6.585 -5.877 -7.192 1.00 0.36 C ATOM 340 CG MET A 796 7.518 -7.040 -6.904 1.00 0.46 C ATOM 341 SD MET A 796 8.157 -7.810 -8.403 1.00 0.67 S ATOM 342 CE MET A 796 9.760 -7.022 -8.531 1.00 1.53 C ATOM 0 H MET A 796 6.092 -6.605 -4.869 1.00 0.23 H new ATOM 0 HA MET A 796 7.377 -4.316 -5.957 1.00 0.26 H new ATOM 0 HB2 MET A 796 5.598 -6.267 -7.439 1.00 0.36 H new ATOM 0 HB3 MET A 796 6.945 -5.342 -8.071 1.00 0.36 H new ATOM 0 HG2 MET A 796 8.353 -6.689 -6.297 1.00 0.46 H new ATOM 0 HG3 MET A 796 6.988 -7.788 -6.314 1.00 0.46 H new ATOM 0 HE1 MET A 796 10.280 -7.396 -9.413 1.00 1.53 H new ATOM 0 HE2 MET A 796 9.629 -5.943 -8.617 1.00 1.53 H new ATOM 0 HE3 MET A 796 10.348 -7.247 -7.641 1.00 1.53 H new ATOM 352 N ALA A 797 4.074 -4.435 -6.100 1.00 0.26 N ATOM 353 CA ALA A 797 2.883 -3.617 -6.293 1.00 0.30 C ATOM 354 C ALA A 797 2.947 -2.387 -5.397 1.00 0.28 C ATOM 355 O ALA A 797 2.837 -1.253 -5.866 1.00 0.30 O ATOM 356 CB ALA A 797 1.629 -4.426 -6.000 1.00 0.38 C ATOM 0 H ALA A 797 3.885 -5.398 -5.821 1.00 0.26 H new ATOM 0 HA ALA A 797 2.844 -3.292 -7.333 1.00 0.30 H new ATOM 0 HB1 ALA A 797 0.749 -3.800 -6.149 1.00 0.38 H new ATOM 0 HB2 ALA A 797 1.583 -5.282 -6.673 1.00 0.38 H new ATOM 0 HB3 ALA A 797 1.655 -4.776 -4.968 1.00 0.38 H new ATOM 362 N ILE A 798 3.150 -2.624 -4.104 1.00 0.27 N ATOM 363 CA ILE A 798 3.258 -1.546 -3.134 1.00 0.31 C ATOM 364 C ILE A 798 4.390 -0.600 -3.508 1.00 0.29 C ATOM 365 O ILE A 798 4.206 0.614 -3.574 1.00 0.33 O ATOM 366 CB ILE A 798 3.522 -2.096 -1.723 1.00 0.35 C ATOM 367 CG1 ILE A 798 2.307 -2.884 -1.227 1.00 0.40 C ATOM 368 CG2 ILE A 798 3.867 -0.962 -0.765 1.00 0.42 C ATOM 369 CD1 ILE A 798 2.510 -3.525 0.129 1.00 0.50 C ATOM 0 H ILE A 798 3.243 -3.558 -3.706 1.00 0.27 H new ATOM 0 HA ILE A 798 2.310 -1.008 -3.140 1.00 0.31 H new ATOM 0 HB ILE A 798 4.375 -2.773 -1.763 1.00 0.35 H new ATOM 0 HG12 ILE A 798 1.447 -2.216 -1.178 1.00 0.40 H new ATOM 0 HG13 ILE A 798 2.067 -3.660 -1.954 1.00 0.40 H new ATOM 0 HG21 ILE A 798 4.051 -1.369 0.229 1.00 0.42 H new ATOM 0 HG22 ILE A 798 4.761 -0.447 -1.117 1.00 0.42 H new ATOM 0 HG23 ILE A 798 3.036 -0.258 -0.721 1.00 0.42 H new ATOM 0 HD11 ILE A 798 1.608 -4.066 0.415 1.00 0.50 H new ATOM 0 HD12 ILE A 798 3.349 -4.219 0.081 1.00 0.50 H new ATOM 0 HD13 ILE A 798 2.720 -2.753 0.869 1.00 0.50 H new ATOM 381 N ASN A 799 5.562 -1.176 -3.744 1.00 0.25 N ATOM 382 CA ASN A 799 6.743 -0.404 -4.104 1.00 0.29 C ATOM 383 C ASN A 799 6.490 0.453 -5.342 1.00 0.27 C ATOM 384 O ASN A 799 7.115 1.498 -5.522 1.00 0.36 O ATOM 385 CB ASN A 799 7.930 -1.331 -4.355 1.00 0.30 C ATOM 386 CG ASN A 799 9.202 -0.840 -3.690 1.00 0.38 C ATOM 387 OD1 ASN A 799 9.524 0.347 -3.738 1.00 0.81 O ATOM 388 ND2 ASN A 799 9.933 -1.756 -3.063 1.00 0.78 N ATOM 0 H ASN A 799 5.720 -2.182 -3.692 1.00 0.25 H new ATOM 0 HA ASN A 799 6.972 0.257 -3.268 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.692 -2.328 -3.985 1.00 0.30 H new ATOM 0 HB3 ASN A 799 8.096 -1.420 -5.429 1.00 0.30 H new ATOM 0 HD21 ASN A 799 10.799 -1.486 -2.597 1.00 0.78 H new ATOM 0 HD22 ASN A 799 9.628 -2.729 -3.048 1.00 0.78 H new ATOM 395 N SER A 800 5.568 0.007 -6.189 1.00 0.22 N ATOM 396 CA SER A 800 5.235 0.737 -7.406 1.00 0.25 C ATOM 397 C SER A 800 4.289 1.893 -7.097 1.00 0.28 C ATOM 398 O SER A 800 4.214 2.865 -7.847 1.00 0.33 O ATOM 399 CB SER A 800 4.593 -0.200 -8.430 1.00 0.28 C ATOM 400 OG SER A 800 5.283 -0.153 -9.667 1.00 0.98 O ATOM 0 H SER A 800 5.039 -0.855 -6.055 1.00 0.22 H new ATOM 0 HA SER A 800 6.157 1.141 -7.824 1.00 0.25 H new ATOM 0 HB2 SER A 800 4.597 -1.220 -8.046 1.00 0.28 H new ATOM 0 HB3 SER A 800 3.550 0.080 -8.581 1.00 0.28 H new ATOM 0 HG SER A 800 4.854 -0.762 -10.304 1.00 0.98 H new ATOM 406 N LYS A 801 3.567 1.773 -5.988 1.00 0.30 N ATOM 407 CA LYS A 801 2.621 2.803 -5.577 1.00 0.37 C ATOM 408 C LYS A 801 3.207 3.682 -4.475 1.00 0.40 C ATOM 409 O LYS A 801 2.564 4.627 -4.017 1.00 0.49 O ATOM 410 CB LYS A 801 1.319 2.159 -5.091 1.00 0.42 C ATOM 411 CG LYS A 801 0.291 1.963 -6.194 1.00 0.67 C ATOM 412 CD LYS A 801 0.522 0.663 -6.947 1.00 1.05 C ATOM 413 CE LYS A 801 -0.775 -0.105 -7.140 1.00 1.43 C ATOM 414 NZ LYS A 801 -0.537 -1.467 -7.691 1.00 2.25 N ATOM 0 H LYS A 801 3.619 0.973 -5.358 1.00 0.30 H new ATOM 0 HA LYS A 801 2.412 3.433 -6.442 1.00 0.37 H new ATOM 0 HB2 LYS A 801 1.547 1.192 -4.641 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.886 2.781 -4.308 1.00 0.42 H new ATOM 0 HG2 LYS A 801 -0.710 1.962 -5.763 1.00 0.67 H new ATOM 0 HG3 LYS A 801 0.338 2.801 -6.890 1.00 0.67 H new ATOM 0 HD2 LYS A 801 0.967 0.878 -7.918 1.00 1.05 H new ATOM 0 HD3 LYS A 801 1.234 0.045 -6.400 1.00 1.05 H new ATOM 0 HE2 LYS A 801 -1.295 -0.185 -6.185 1.00 1.43 H new ATOM 0 HE3 LYS A 801 -1.429 0.450 -7.813 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 -1.362 -1.764 -8.251 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 0.307 -1.453 -8.298 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 -0.390 -2.137 -6.909 1.00 2.25 H new ATOM 428 N ILE A 802 4.428 3.365 -4.050 1.00 0.39 N ATOM 429 CA ILE A 802 5.091 4.129 -2.998 1.00 0.45 C ATOM 430 C ILE A 802 6.364 4.797 -3.514 1.00 0.50 C ATOM 431 O ILE A 802 6.763 5.853 -3.022 1.00 0.60 O ATOM 432 CB ILE A 802 5.446 3.240 -1.790 1.00 0.47 C ATOM 433 CG1 ILE A 802 6.489 2.195 -2.177 1.00 0.42 C ATOM 434 CG2 ILE A 802 4.199 2.569 -1.236 1.00 0.49 C ATOM 435 CD1 ILE A 802 7.840 2.424 -1.537 1.00 0.75 C ATOM 0 H ILE A 802 4.976 2.587 -4.417 1.00 0.39 H new ATOM 0 HA ILE A 802 4.385 4.896 -2.680 1.00 0.45 H new ATOM 0 HB ILE A 802 5.870 3.875 -1.012 1.00 0.47 H new ATOM 0 HG12 ILE A 802 6.125 1.208 -1.894 1.00 0.42 H new ATOM 0 HG13 ILE A 802 6.605 2.193 -3.261 1.00 0.42 H new ATOM 0 HG21 ILE A 802 4.469 1.946 -0.384 1.00 0.49 H new ATOM 0 HG22 ILE A 802 3.487 3.330 -0.917 1.00 0.49 H new ATOM 0 HG23 ILE A 802 3.745 1.949 -2.009 1.00 0.49 H new ATOM 0 HD11 ILE A 802 8.531 1.644 -1.857 1.00 0.75 H new ATOM 0 HD12 ILE A 802 8.226 3.397 -1.840 1.00 0.75 H new ATOM 0 HD13 ILE A 802 7.738 2.396 -0.452 1.00 0.75 H new ATOM 447 N SER A 803 6.995 4.175 -4.503 1.00 0.45 N ATOM 448 CA SER A 803 8.224 4.707 -5.083 1.00 0.53 C ATOM 449 C SER A 803 8.550 4.009 -6.401 1.00 0.61 C ATOM 450 O SER A 803 9.318 3.047 -6.432 1.00 1.19 O ATOM 451 CB SER A 803 9.389 4.544 -4.103 1.00 0.60 C ATOM 452 OG SER A 803 9.701 5.774 -3.473 1.00 1.53 O ATOM 0 H SER A 803 6.676 3.301 -4.921 1.00 0.45 H new ATOM 0 HA SER A 803 8.073 5.768 -5.282 1.00 0.53 H new ATOM 0 HB2 SER A 803 9.132 3.800 -3.349 1.00 0.60 H new ATOM 0 HB3 SER A 803 10.265 4.171 -4.633 1.00 0.60 H new ATOM 0 HG SER A 803 8.877 6.194 -3.149 1.00 1.53 H new ATOM 576 N PRO A 812 12.184 3.119 -0.695 1.00 0.70 N ATOM 577 CA PRO A 812 11.252 1.988 -0.718 1.00 0.66 C ATOM 578 C PRO A 812 10.929 1.469 0.681 1.00 0.62 C ATOM 579 O PRO A 812 11.381 2.029 1.681 1.00 0.73 O ATOM 580 CB PRO A 812 12.004 0.927 -1.520 1.00 0.70 C ATOM 581 CG PRO A 812 13.443 1.238 -1.296 1.00 0.95 C ATOM 582 CD PRO A 812 13.530 2.735 -1.166 1.00 0.77 C ATOM 0 HA PRO A 812 10.288 2.264 -1.146 1.00 0.66 H new ATOM 0 HB2 PRO A 812 11.757 -0.078 -1.177 1.00 0.70 H new ATOM 0 HB3 PRO A 812 11.748 0.975 -2.578 1.00 0.70 H new ATOM 0 HG2 PRO A 812 13.813 0.746 -0.396 1.00 0.95 H new ATOM 0 HG3 PRO A 812 14.053 0.883 -2.127 1.00 0.95 H new ATOM 0 HD2 PRO A 812 14.303 3.032 -0.457 1.00 0.77 H new ATOM 0 HD3 PRO A 812 13.772 3.207 -2.118 1.00 0.77 H new ATOM 590 N ILE A 813 10.148 0.392 0.741 1.00 0.62 N ATOM 591 CA ILE A 813 9.764 -0.210 2.013 1.00 0.61 C ATOM 592 C ILE A 813 9.665 -1.727 1.890 1.00 0.59 C ATOM 593 O ILE A 813 9.749 -2.276 0.792 1.00 0.75 O ATOM 594 CB ILE A 813 8.414 0.339 2.513 1.00 0.70 C ATOM 595 CG1 ILE A 813 7.404 0.391 1.366 1.00 1.22 C ATOM 596 CG2 ILE A 813 8.596 1.719 3.128 1.00 1.05 C ATOM 597 CD1 ILE A 813 5.963 0.329 1.826 1.00 1.94 C ATOM 0 H ILE A 813 9.769 -0.081 -0.079 1.00 0.62 H new ATOM 0 HA ILE A 813 10.541 0.049 2.733 1.00 0.61 H new ATOM 0 HB ILE A 813 8.030 -0.331 3.282 1.00 0.70 H new ATOM 0 HG12 ILE A 813 7.557 1.310 0.799 1.00 1.22 H new ATOM 0 HG13 ILE A 813 7.596 -0.439 0.686 1.00 1.22 H new ATOM 0 HG21 ILE A 813 7.633 2.092 3.476 1.00 1.05 H new ATOM 0 HG22 ILE A 813 9.286 1.654 3.970 1.00 1.05 H new ATOM 0 HG23 ILE A 813 9.000 2.401 2.379 1.00 1.05 H new ATOM 0 HD11 ILE A 813 5.302 0.371 0.960 1.00 1.94 H new ATOM 0 HD12 ILE A 813 5.794 -0.602 2.367 1.00 1.94 H new ATOM 0 HD13 ILE A 813 5.754 1.174 2.483 1.00 1.94 H new ATOM 609 N THR A 814 9.486 -2.400 3.023 1.00 0.49 N ATOM 610 CA THR A 814 9.375 -3.855 3.040 1.00 0.49 C ATOM 611 C THR A 814 8.388 -4.322 4.104 1.00 0.47 C ATOM 612 O THR A 814 7.451 -5.067 3.811 1.00 0.54 O ATOM 613 CB THR A 814 10.741 -4.520 3.295 1.00 0.53 C ATOM 614 OG1 THR A 814 11.467 -3.783 4.287 1.00 1.16 O ATOM 615 CG2 THR A 814 11.556 -4.593 2.013 1.00 1.07 C ATOM 0 H THR A 814 9.415 -1.961 3.941 1.00 0.49 H new ATOM 0 HA THR A 814 9.011 -4.154 2.057 1.00 0.49 H new ATOM 0 HB THR A 814 10.565 -5.535 3.652 1.00 0.53 H new ATOM 0 HG1 THR A 814 12.333 -4.213 4.445 1.00 1.16 H new ATOM 0 HG21 THR A 814 12.516 -5.066 2.219 1.00 1.07 H new ATOM 0 HG22 THR A 814 11.014 -5.179 1.270 1.00 1.07 H new ATOM 0 HG23 THR A 814 11.723 -3.586 1.630 1.00 1.07 H new ATOM 623 N LYS A 815 8.602 -3.880 5.339 1.00 0.42 N ATOM 624 CA LYS A 815 7.727 -4.252 6.448 1.00 0.42 C ATOM 625 C LYS A 815 6.481 -3.373 6.472 1.00 0.40 C ATOM 626 O LYS A 815 6.567 -2.164 6.688 1.00 0.48 O ATOM 627 CB LYS A 815 8.475 -4.133 7.776 1.00 0.49 C ATOM 628 CG LYS A 815 8.826 -5.473 8.404 1.00 0.89 C ATOM 629 CD LYS A 815 9.109 -5.332 9.889 1.00 1.30 C ATOM 630 CE LYS A 815 9.338 -6.686 10.546 1.00 1.97 C ATOM 631 NZ LYS A 815 8.167 -7.589 10.376 1.00 2.69 N ATOM 0 H LYS A 815 9.373 -3.264 5.598 1.00 0.42 H new ATOM 0 HA LYS A 815 7.418 -5.287 6.305 1.00 0.42 H new ATOM 0 HB2 LYS A 815 9.392 -3.566 7.616 1.00 0.49 H new ATOM 0 HB3 LYS A 815 7.865 -3.563 8.476 1.00 0.49 H new ATOM 0 HG2 LYS A 815 8.004 -6.173 8.254 1.00 0.89 H new ATOM 0 HG3 LYS A 815 9.699 -5.893 7.904 1.00 0.89 H new ATOM 0 HD2 LYS A 815 9.987 -4.703 10.035 1.00 1.30 H new ATOM 0 HD3 LYS A 815 8.272 -4.829 10.373 1.00 1.30 H new ATOM 0 HE2 LYS A 815 10.223 -7.154 10.115 1.00 1.97 H new ATOM 0 HE3 LYS A 815 9.537 -6.545 11.608 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 8.238 -8.380 11.048 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 7.291 -7.059 10.556 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 8.153 -7.960 9.405 1.00 2.69 H new ATOM 645 N ILE A 816 5.323 -3.988 6.246 1.00 0.36 N ATOM 646 CA ILE A 816 4.058 -3.261 6.240 1.00 0.38 C ATOM 647 C ILE A 816 2.977 -4.022 7.003 1.00 0.33 C ATOM 648 O ILE A 816 3.154 -5.189 7.354 1.00 0.37 O ATOM 649 CB ILE A 816 3.565 -2.993 4.799 1.00 0.41 C ATOM 650 CG1 ILE A 816 2.969 -4.264 4.178 1.00 0.59 C ATOM 651 CG2 ILE A 816 4.698 -2.451 3.939 1.00 0.84 C ATOM 652 CD1 ILE A 816 3.970 -5.386 3.982 1.00 0.53 C ATOM 0 H ILE A 816 5.235 -4.988 6.065 1.00 0.36 H new ATOM 0 HA ILE A 816 4.243 -2.308 6.735 1.00 0.38 H new ATOM 0 HB ILE A 816 2.778 -2.240 4.843 1.00 0.41 H new ATOM 0 HG12 ILE A 816 2.159 -4.621 4.814 1.00 0.59 H new ATOM 0 HG13 ILE A 816 2.529 -4.012 3.213 1.00 0.59 H new ATOM 0 HG21 ILE A 816 4.332 -2.268 2.928 1.00 0.84 H new ATOM 0 HG22 ILE A 816 5.065 -1.518 4.366 1.00 0.84 H new ATOM 0 HG23 ILE A 816 5.509 -3.178 3.905 1.00 0.84 H new ATOM 0 HD11 ILE A 816 3.469 -6.247 3.539 1.00 0.53 H new ATOM 0 HD12 ILE A 816 4.768 -5.050 3.320 1.00 0.53 H new ATOM 0 HD13 ILE A 816 4.393 -5.669 4.946 1.00 0.53 H new ATOM 664 N LYS A 817 1.854 -3.352 7.248 1.00 0.32 N ATOM 665 CA LYS A 817 0.735 -3.960 7.960 1.00 0.31 C ATOM 666 C LYS A 817 -0.440 -4.180 7.015 1.00 0.32 C ATOM 667 O LYS A 817 -0.461 -3.644 5.905 1.00 0.59 O ATOM 668 CB LYS A 817 0.303 -3.072 9.128 1.00 0.37 C ATOM 669 CG LYS A 817 1.331 -2.985 10.244 1.00 0.39 C ATOM 670 CD LYS A 817 0.758 -3.473 11.563 1.00 0.38 C ATOM 671 CE LYS A 817 1.575 -2.978 12.745 1.00 0.50 C ATOM 672 NZ LYS A 817 0.711 -2.454 13.838 1.00 0.85 N ATOM 0 H LYS A 817 1.695 -2.386 6.963 1.00 0.32 H new ATOM 0 HA LYS A 817 1.059 -4.925 8.350 1.00 0.31 H new ATOM 0 HB2 LYS A 817 0.100 -2.068 8.754 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.632 -3.455 9.537 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.206 -3.581 9.983 1.00 0.39 H new ATOM 0 HG3 LYS A 817 1.668 -1.954 10.351 1.00 0.39 H new ATOM 0 HD2 LYS A 817 -0.272 -3.130 11.662 1.00 0.38 H new ATOM 0 HD3 LYS A 817 0.732 -4.563 11.568 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.190 -3.793 13.128 1.00 0.50 H new ATOM 0 HE3 LYS A 817 2.255 -2.194 12.413 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 1.307 -2.127 14.625 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 0.142 -1.660 13.481 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 0.079 -3.209 14.173 1.00 0.85 H new ATOM 686 N TYR A 818 -1.417 -4.967 7.454 1.00 0.23 N ATOM 687 CA TYR A 818 -2.592 -5.245 6.633 1.00 0.22 C ATOM 688 C TYR A 818 -3.826 -5.491 7.494 1.00 0.23 C ATOM 689 O TYR A 818 -3.722 -5.930 8.640 1.00 0.31 O ATOM 690 CB TYR A 818 -2.331 -6.445 5.718 1.00 0.26 C ATOM 691 CG TYR A 818 -2.329 -7.779 6.432 1.00 0.30 C ATOM 692 CD1 TYR A 818 -1.302 -8.122 7.303 1.00 0.46 C ATOM 693 CD2 TYR A 818 -3.352 -8.696 6.229 1.00 0.41 C ATOM 694 CE1 TYR A 818 -1.296 -9.344 7.951 1.00 0.58 C ATOM 695 CE2 TYR A 818 -3.354 -9.918 6.873 1.00 0.51 C ATOM 696 CZ TYR A 818 -2.323 -10.236 7.733 1.00 0.56 C ATOM 697 OH TYR A 818 -2.320 -11.453 8.376 1.00 0.71 O ATOM 0 H TYR A 818 -1.420 -5.421 8.367 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.785 -4.367 6.017 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -3.091 -6.464 4.937 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.369 -6.309 5.224 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -0.496 -7.424 7.477 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -4.160 -8.449 5.556 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -0.490 -9.598 8.624 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -4.157 -10.620 6.704 1.00 0.51 H new ATOM 0 HH TYR A 818 -3.209 -11.628 8.748 1.00 0.71 H new ATOM 707 N GLN A 819 -4.995 -5.204 6.930 1.00 0.27 N ATOM 708 CA GLN A 819 -6.255 -5.386 7.629 1.00 0.34 C ATOM 709 C GLN A 819 -6.642 -6.854 7.663 1.00 0.40 C ATOM 710 O GLN A 819 -7.027 -7.435 6.649 1.00 0.45 O ATOM 711 CB GLN A 819 -7.361 -4.569 6.962 1.00 0.44 C ATOM 712 CG GLN A 819 -8.395 -4.042 7.942 1.00 0.56 C ATOM 713 CD GLN A 819 -9.814 -4.379 7.530 1.00 1.14 C ATOM 714 OE1 GLN A 819 -10.453 -3.631 6.791 1.00 1.91 O ATOM 715 NE2 GLN A 819 -10.317 -5.511 8.012 1.00 1.44 N ATOM 0 H GLN A 819 -5.092 -4.841 5.982 1.00 0.27 H new ATOM 0 HA GLN A 819 -6.128 -5.035 8.653 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -6.913 -3.729 6.431 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.860 -5.187 6.216 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -8.199 -4.458 8.930 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.292 -2.960 8.026 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -9.751 -6.101 8.622 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -11.269 -5.789 7.772 1.00 1.44 H new ATOM 724 N ASP A 820 -6.532 -7.441 8.840 1.00 0.43 N ATOM 725 CA ASP A 820 -6.864 -8.849 9.029 1.00 0.53 C ATOM 726 C ASP A 820 -8.374 -9.040 9.134 1.00 0.62 C ATOM 727 O ASP A 820 -9.139 -8.077 9.067 1.00 0.65 O ATOM 728 CB ASP A 820 -6.186 -9.389 10.288 1.00 0.58 C ATOM 729 CG ASP A 820 -5.849 -10.862 10.177 1.00 1.13 C ATOM 730 OD1 ASP A 820 -5.280 -11.266 9.141 1.00 1.80 O ATOM 731 OD2 ASP A 820 -6.153 -11.614 11.128 1.00 1.34 O ATOM 0 H ASP A 820 -6.214 -6.966 9.685 1.00 0.43 H new ATOM 0 HA ASP A 820 -6.502 -9.402 8.162 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -5.273 -8.824 10.477 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -6.841 -9.233 11.145 1.00 0.58 H new ATOM 736 N GLU A 821 -8.796 -10.290 9.294 1.00 0.71 N ATOM 737 CA GLU A 821 -10.215 -10.612 9.402 1.00 0.82 C ATOM 738 C GLU A 821 -10.712 -10.426 10.833 1.00 0.83 C ATOM 739 O GLU A 821 -11.562 -11.181 11.309 1.00 0.97 O ATOM 740 CB GLU A 821 -10.465 -12.051 8.945 1.00 0.96 C ATOM 741 CG GLU A 821 -9.633 -13.081 9.691 1.00 1.10 C ATOM 742 CD GLU A 821 -10.398 -14.362 9.963 1.00 1.30 C ATOM 743 OE1 GLU A 821 -11.108 -14.423 10.988 1.00 1.53 O ATOM 744 OE2 GLU A 821 -10.284 -15.303 9.151 1.00 1.62 O ATOM 0 H GLU A 821 -8.175 -11.097 9.352 1.00 0.71 H new ATOM 0 HA GLU A 821 -10.767 -9.929 8.757 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -11.521 -12.286 9.076 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -10.251 -12.127 7.879 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -8.740 -13.312 9.110 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -9.297 -12.655 10.636 1.00 1.10 H new ATOM 751 N ASP A 822 -10.182 -9.416 11.514 1.00 0.79 N ATOM 752 CA ASP A 822 -10.575 -9.133 12.890 1.00 0.81 C ATOM 753 C ASP A 822 -10.830 -7.643 13.090 1.00 0.73 C ATOM 754 O ASP A 822 -10.878 -7.159 14.222 1.00 0.78 O ATOM 755 CB ASP A 822 -9.493 -9.612 13.859 1.00 0.86 C ATOM 756 CG ASP A 822 -10.000 -10.679 14.808 1.00 1.20 C ATOM 757 OD1 ASP A 822 -11.056 -10.461 15.437 1.00 1.65 O ATOM 758 OD2 ASP A 822 -9.340 -11.735 14.922 1.00 1.56 O ATOM 0 H ASP A 822 -9.480 -8.780 11.136 1.00 0.79 H new ATOM 0 HA ASP A 822 -11.501 -9.671 13.094 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -8.649 -10.005 13.292 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -9.123 -8.764 14.435 1.00 0.86 H new ATOM 763 N GLY A 823 -10.992 -6.922 11.986 1.00 0.68 N ATOM 764 CA GLY A 823 -11.238 -5.494 12.061 1.00 0.70 C ATOM 765 C GLY A 823 -10.100 -4.748 12.730 1.00 0.67 C ATOM 766 O GLY A 823 -10.329 -3.906 13.600 1.00 0.88 O ATOM 0 H GLY A 823 -10.957 -7.301 11.040 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -11.386 -5.100 11.056 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -12.161 -5.315 12.613 1.00 0.70 H new ATOM 770 N ASP A 824 -8.874 -5.061 12.324 1.00 0.54 N ATOM 771 CA ASP A 824 -7.691 -4.422 12.885 1.00 0.57 C ATOM 772 C ASP A 824 -6.438 -4.861 12.138 1.00 0.55 C ATOM 773 O ASP A 824 -6.242 -6.048 11.871 1.00 0.93 O ATOM 774 CB ASP A 824 -7.557 -4.762 14.372 1.00 0.65 C ATOM 775 CG ASP A 824 -6.608 -3.825 15.096 1.00 1.15 C ATOM 776 OD1 ASP A 824 -6.545 -2.636 14.721 1.00 1.86 O ATOM 777 OD2 ASP A 824 -5.927 -4.282 16.039 1.00 1.48 O ATOM 0 H ASP A 824 -8.674 -5.757 11.605 1.00 0.54 H new ATOM 0 HA ASP A 824 -7.802 -3.343 12.776 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -8.539 -4.715 14.843 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -7.202 -5.787 14.477 1.00 0.65 H new ATOM 782 N PHE A 825 -5.593 -3.894 11.803 1.00 0.42 N ATOM 783 CA PHE A 825 -4.354 -4.172 11.087 1.00 0.37 C ATOM 784 C PHE A 825 -3.405 -4.997 11.949 1.00 0.38 C ATOM 785 O PHE A 825 -3.351 -4.826 13.168 1.00 0.44 O ATOM 786 CB PHE A 825 -3.674 -2.865 10.675 1.00 0.39 C ATOM 787 CG PHE A 825 -4.406 -2.121 9.594 1.00 0.41 C ATOM 788 CD1 PHE A 825 -5.498 -1.325 9.903 1.00 0.59 C ATOM 789 CD2 PHE A 825 -4.001 -2.213 8.274 1.00 0.38 C ATOM 790 CE1 PHE A 825 -6.174 -0.638 8.913 1.00 0.64 C ATOM 791 CE2 PHE A 825 -4.673 -1.528 7.278 1.00 0.43 C ATOM 792 CZ PHE A 825 -5.760 -0.739 7.599 1.00 0.52 C ATOM 0 H PHE A 825 -5.744 -2.908 12.016 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.601 -4.744 10.193 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.583 -2.221 11.550 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.662 -3.084 10.333 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -5.824 -1.241 10.929 1.00 0.59 H new ATOM 0 HD2 PHE A 825 -3.150 -2.827 8.019 1.00 0.38 H new ATOM 0 HE1 PHE A 825 -7.025 -0.023 9.166 1.00 0.64 H new ATOM 0 HE2 PHE A 825 -4.348 -1.610 6.251 1.00 0.43 H new ATOM 0 HZ PHE A 825 -6.286 -0.202 6.824 1.00 0.52 H new ATOM 802 N VAL A 826 -2.655 -5.890 11.310 1.00 0.38 N ATOM 803 CA VAL A 826 -1.706 -6.736 12.019 1.00 0.45 C ATOM 804 C VAL A 826 -0.336 -6.694 11.352 1.00 0.36 C ATOM 805 O VAL A 826 -0.148 -6.009 10.347 1.00 0.31 O ATOM 806 CB VAL A 826 -2.194 -8.195 12.093 1.00 0.54 C ATOM 807 CG1 VAL A 826 -3.156 -8.374 13.258 1.00 0.97 C ATOM 808 CG2 VAL A 826 -2.855 -8.606 10.788 1.00 0.79 C ATOM 0 H VAL A 826 -2.688 -6.045 10.302 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.625 -6.344 13.033 1.00 0.45 H new ATOM 0 HB VAL A 826 -1.330 -8.839 12.256 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -3.492 -9.410 13.297 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -2.650 -8.122 14.190 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -4.016 -7.719 13.123 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -3.193 -9.640 10.861 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -3.710 -7.958 10.593 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -2.138 -8.515 9.972 1.00 0.79 H new ATOM 818 N VAL A 827 0.619 -7.424 11.919 1.00 0.37 N ATOM 819 CA VAL A 827 1.975 -7.456 11.382 1.00 0.33 C ATOM 820 C VAL A 827 2.202 -8.690 10.520 1.00 0.30 C ATOM 821 O VAL A 827 2.202 -9.818 11.015 1.00 0.35 O ATOM 822 CB VAL A 827 3.034 -7.433 12.505 1.00 0.41 C ATOM 823 CG1 VAL A 827 4.126 -6.423 12.192 1.00 0.52 C ATOM 824 CG2 VAL A 827 2.389 -7.132 13.851 1.00 0.56 C ATOM 0 H VAL A 827 0.480 -8.000 12.749 1.00 0.37 H new ATOM 0 HA VAL A 827 2.084 -6.561 10.770 1.00 0.33 H new ATOM 0 HB VAL A 827 3.490 -8.421 12.563 1.00 0.41 H new ATOM 0 HG11 VAL A 827 4.862 -6.422 12.996 1.00 0.52 H new ATOM 0 HG12 VAL A 827 4.613 -6.692 11.254 1.00 0.52 H new ATOM 0 HG13 VAL A 827 3.687 -5.429 12.101 1.00 0.52 H new ATOM 0 HG21 VAL A 827 3.154 -7.121 14.627 1.00 0.56 H new ATOM 0 HG22 VAL A 827 1.899 -6.159 13.810 1.00 0.56 H new ATOM 0 HG23 VAL A 827 1.651 -7.900 14.081 1.00 0.56 H new ATOM 834 N LEU A 828 2.401 -8.463 9.226 1.00 0.26 N ATOM 835 CA LEU A 828 2.637 -9.550 8.284 1.00 0.28 C ATOM 836 C LEU A 828 4.117 -9.917 8.243 1.00 0.46 C ATOM 837 O LEU A 828 4.978 -9.044 8.129 1.00 0.60 O ATOM 838 CB LEU A 828 2.155 -9.155 6.886 1.00 0.31 C ATOM 839 CG LEU A 828 2.171 -10.279 5.849 1.00 0.45 C ATOM 840 CD1 LEU A 828 0.767 -10.544 5.328 1.00 0.66 C ATOM 841 CD2 LEU A 828 3.112 -9.934 4.704 1.00 0.81 C ATOM 0 H LEU A 828 2.403 -7.534 8.805 1.00 0.26 H new ATOM 0 HA LEU A 828 2.074 -10.421 8.619 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.138 -8.770 6.965 1.00 0.31 H new ATOM 0 HB3 LEU A 828 2.778 -8.338 6.522 1.00 0.31 H new ATOM 0 HG LEU A 828 2.535 -11.187 6.330 1.00 0.45 H new ATOM 0 HD11 LEU A 828 0.798 -11.347 4.591 1.00 0.66 H new ATOM 0 HD12 LEU A 828 0.121 -10.836 6.156 1.00 0.66 H new ATOM 0 HD13 LEU A 828 0.375 -9.640 4.863 1.00 0.66 H new ATOM 0 HD21 LEU A 828 3.111 -10.745 3.975 1.00 0.81 H new ATOM 0 HD22 LEU A 828 2.779 -9.014 4.224 1.00 0.81 H new ATOM 0 HD23 LEU A 828 4.121 -9.796 5.092 1.00 0.81 H new ATOM 853 N GLY A 829 4.405 -11.211 8.343 1.00 0.58 N ATOM 854 CA GLY A 829 5.782 -11.668 8.319 1.00 0.81 C ATOM 855 C GLY A 829 6.373 -11.668 6.924 1.00 0.49 C ATOM 856 O GLY A 829 7.266 -10.876 6.621 1.00 0.45 O ATOM 0 H GLY A 829 3.709 -11.951 8.440 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.384 -11.029 8.964 1.00 0.81 H new ATOM 0 HA3 GLY A 829 5.833 -12.676 8.731 1.00 0.81 H new ATOM 860 N SER A 830 5.876 -12.562 6.074 1.00 0.35 N ATOM 861 CA SER A 830 6.360 -12.670 4.703 1.00 0.23 C ATOM 862 C SER A 830 5.459 -13.597 3.893 1.00 0.19 C ATOM 863 O SER A 830 4.235 -13.541 4.014 1.00 0.20 O ATOM 864 CB SER A 830 7.803 -13.181 4.692 1.00 0.45 C ATOM 865 OG SER A 830 7.880 -14.506 5.189 1.00 1.31 O ATOM 0 H SER A 830 5.137 -13.223 6.312 1.00 0.35 H new ATOM 0 HA SER A 830 6.337 -11.681 4.245 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.196 -13.147 3.676 1.00 0.45 H new ATOM 0 HB3 SER A 830 8.429 -12.525 5.298 1.00 0.45 H new ATOM 0 HG SER A 830 8.812 -14.809 5.170 1.00 1.31 H new ATOM 871 N ASP A 831 6.064 -14.453 3.072 1.00 0.18 N ATOM 872 CA ASP A 831 5.307 -15.393 2.254 1.00 0.18 C ATOM 873 C ASP A 831 4.370 -16.227 3.121 1.00 0.17 C ATOM 874 O ASP A 831 3.325 -16.683 2.663 1.00 0.22 O ATOM 875 CB ASP A 831 6.256 -16.308 1.479 1.00 0.23 C ATOM 876 CG ASP A 831 5.606 -16.902 0.244 1.00 1.33 C ATOM 877 OD1 ASP A 831 4.935 -16.150 -0.493 1.00 2.20 O ATOM 878 OD2 ASP A 831 5.769 -18.119 0.014 1.00 1.77 O ATOM 0 H ASP A 831 7.076 -14.514 2.957 1.00 0.18 H new ATOM 0 HA ASP A 831 4.708 -14.822 1.544 1.00 0.18 H new ATOM 0 HB2 ASP A 831 7.141 -15.744 1.185 1.00 0.23 H new ATOM 0 HB3 ASP A 831 6.594 -17.113 2.131 1.00 0.23 H new ATOM 883 N GLU A 832 4.755 -16.420 4.381 1.00 0.18 N ATOM 884 CA GLU A 832 3.949 -17.197 5.316 1.00 0.21 C ATOM 885 C GLU A 832 2.607 -16.522 5.567 1.00 0.19 C ATOM 886 O GLU A 832 1.563 -17.027 5.156 1.00 0.19 O ATOM 887 CB GLU A 832 4.698 -17.380 6.639 1.00 0.26 C ATOM 888 CG GLU A 832 5.799 -18.426 6.578 1.00 0.92 C ATOM 889 CD GLU A 832 7.144 -17.884 7.021 1.00 1.41 C ATOM 890 OE1 GLU A 832 7.309 -17.621 8.231 1.00 1.63 O ATOM 891 OE2 GLU A 832 8.032 -17.722 6.158 1.00 2.21 O ATOM 0 H GLU A 832 5.619 -16.049 4.776 1.00 0.18 H new ATOM 0 HA GLU A 832 3.765 -18.176 4.873 1.00 0.21 H new ATOM 0 HB2 GLU A 832 5.132 -16.425 6.936 1.00 0.26 H new ATOM 0 HB3 GLU A 832 3.985 -17.661 7.414 1.00 0.26 H new ATOM 0 HG2 GLU A 832 5.527 -19.272 7.209 1.00 0.92 H new ATOM 0 HG3 GLU A 832 5.881 -18.802 5.558 1.00 0.92 H new ATOM 898 N ASP A 833 2.641 -15.375 6.238 1.00 0.19 N ATOM 899 CA ASP A 833 1.425 -14.629 6.538 1.00 0.19 C ATOM 900 C ASP A 833 0.760 -14.147 5.256 1.00 0.18 C ATOM 901 O ASP A 833 -0.380 -13.690 5.275 1.00 0.18 O ATOM 902 CB ASP A 833 1.737 -13.439 7.445 1.00 0.22 C ATOM 903 CG ASP A 833 1.627 -13.793 8.916 1.00 0.41 C ATOM 904 OD1 ASP A 833 2.284 -14.765 9.343 1.00 0.73 O ATOM 905 OD2 ASP A 833 0.883 -13.098 9.640 1.00 0.73 O ATOM 0 H ASP A 833 3.497 -14.942 6.584 1.00 0.19 H new ATOM 0 HA ASP A 833 0.737 -15.296 7.058 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.744 -13.079 7.234 1.00 0.22 H new ATOM 0 HB3 ASP A 833 1.052 -12.622 7.218 1.00 0.22 H new ATOM 910 N TRP A 834 1.476 -14.263 4.142 1.00 0.17 N ATOM 911 CA TRP A 834 0.936 -13.846 2.856 1.00 0.17 C ATOM 912 C TRP A 834 0.064 -14.950 2.269 1.00 0.17 C ATOM 913 O TRP A 834 -1.011 -14.686 1.732 1.00 0.19 O ATOM 914 CB TRP A 834 2.061 -13.480 1.885 1.00 0.19 C ATOM 915 CG TRP A 834 1.581 -12.897 0.585 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.185 -13.027 -0.633 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.410 -12.092 0.365 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.469 -12.353 -1.593 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.374 -11.778 -1.008 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.611 -11.609 1.191 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.640 -11.005 -1.569 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.617 -10.843 0.632 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.624 -10.548 -0.737 1.00 0.26 C ATOM 0 H TRP A 834 2.423 -14.639 4.105 1.00 0.17 H new ATOM 0 HA TRP A 834 0.322 -12.959 3.013 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.726 -12.765 2.369 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.651 -14.372 1.675 1.00 0.19 H new ATOM 0 HD1 TRP A 834 3.095 -13.580 -0.815 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.714 -12.291 -2.581 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.613 -11.831 2.248 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.649 -10.775 -2.624 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.410 -10.466 1.261 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.424 -9.947 -1.144 1.00 0.26 H new ATOM 934 N ASN A 835 0.529 -16.188 2.392 1.00 0.18 N ATOM 935 CA ASN A 835 -0.216 -17.337 1.892 1.00 0.20 C ATOM 936 C ASN A 835 -1.412 -17.616 2.795 1.00 0.20 C ATOM 937 O ASN A 835 -2.431 -18.146 2.352 1.00 0.23 O ATOM 938 CB ASN A 835 0.685 -18.571 1.816 1.00 0.23 C ATOM 939 CG ASN A 835 1.599 -18.548 0.608 1.00 1.38 C ATOM 940 OD1 ASN A 835 1.139 -18.492 -0.533 1.00 1.90 O ATOM 941 ND2 ASN A 835 2.904 -18.589 0.851 1.00 1.98 N ATOM 0 H ASN A 835 1.418 -16.422 2.834 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.574 -17.109 0.888 1.00 0.20 H new ATOM 0 HB2 ASN A 835 1.287 -18.634 2.722 1.00 0.23 H new ATOM 0 HB3 ASN A 835 0.066 -19.467 1.782 1.00 0.23 H new ATOM 0 HD21 ASN A 835 3.568 -18.574 0.077 1.00 1.98 H new ATOM 0 HD22 ASN A 835 3.243 -18.635 1.812 1.00 1.98 H new ATOM 948 N VAL A 836 -1.281 -17.235 4.062 1.00 0.20 N ATOM 949 CA VAL A 836 -2.350 -17.422 5.034 1.00 0.22 C ATOM 950 C VAL A 836 -3.405 -16.342 4.858 1.00 0.22 C ATOM 951 O VAL A 836 -4.594 -16.634 4.727 1.00 0.27 O ATOM 952 CB VAL A 836 -1.817 -17.388 6.479 1.00 0.24 C ATOM 953 CG1 VAL A 836 -2.941 -17.643 7.474 1.00 0.67 C ATOM 954 CG2 VAL A 836 -0.700 -18.406 6.660 1.00 0.62 C ATOM 0 H VAL A 836 -0.442 -16.794 4.439 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.790 -18.404 4.857 1.00 0.22 H new ATOM 0 HB VAL A 836 -1.412 -16.395 6.671 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -2.543 -17.615 8.488 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -3.706 -16.875 7.363 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.380 -18.622 7.284 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -0.336 -18.368 7.687 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -1.080 -19.405 6.447 1.00 0.62 H new ATOM 0 HG23 VAL A 836 0.117 -18.175 5.976 1.00 0.62 H new ATOM 964 N ALA A 837 -2.958 -15.087 4.837 1.00 0.20 N ATOM 965 CA ALA A 837 -3.863 -13.961 4.654 1.00 0.20 C ATOM 966 C ALA A 837 -4.624 -14.102 3.342 1.00 0.20 C ATOM 967 O ALA A 837 -5.765 -13.656 3.220 1.00 0.21 O ATOM 968 CB ALA A 837 -3.098 -12.647 4.683 1.00 0.22 C ATOM 0 H ALA A 837 -1.977 -14.828 4.944 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.579 -13.959 5.475 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -3.793 -11.818 4.544 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.593 -12.541 5.643 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.359 -12.639 3.882 1.00 0.22 H new ATOM 974 N LYS A 838 -3.982 -14.737 2.363 1.00 0.21 N ATOM 975 CA LYS A 838 -4.593 -14.952 1.058 1.00 0.24 C ATOM 976 C LYS A 838 -5.768 -15.916 1.172 1.00 0.24 C ATOM 977 O LYS A 838 -6.862 -15.637 0.680 1.00 0.26 O ATOM 978 CB LYS A 838 -3.559 -15.498 0.072 1.00 0.28 C ATOM 979 CG LYS A 838 -2.972 -14.438 -0.845 1.00 0.38 C ATOM 980 CD LYS A 838 -1.550 -14.778 -1.267 1.00 0.49 C ATOM 981 CE LYS A 838 -1.476 -16.128 -1.961 1.00 0.68 C ATOM 982 NZ LYS A 838 -1.109 -15.997 -3.397 1.00 0.85 N ATOM 0 H LYS A 838 -3.037 -15.111 2.452 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.962 -13.995 0.688 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.751 -15.971 0.631 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -4.024 -16.275 -0.535 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -3.599 -14.336 -1.731 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -2.979 -13.474 -0.337 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -1.174 -14.004 -1.936 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -0.902 -14.784 -0.391 1.00 0.49 H new ATOM 0 HE2 LYS A 838 -0.743 -16.756 -1.455 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -2.439 -16.632 -1.877 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 -0.937 -16.941 -3.799 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -1.886 -15.537 -3.913 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 -0.247 -15.421 -3.484 1.00 0.85 H new ATOM 996 N GLU A 839 -5.537 -17.046 1.835 1.00 0.26 N ATOM 997 CA GLU A 839 -6.580 -18.049 2.025 1.00 0.29 C ATOM 998 C GLU A 839 -7.747 -17.458 2.808 1.00 0.27 C ATOM 999 O GLU A 839 -8.883 -17.921 2.698 1.00 0.31 O ATOM 1000 CB GLU A 839 -6.021 -19.270 2.758 1.00 0.34 C ATOM 1001 CG GLU A 839 -5.056 -20.095 1.922 1.00 0.71 C ATOM 1002 CD GLU A 839 -4.433 -21.235 2.703 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -5.190 -22.020 3.312 1.00 1.82 O ATOM 1004 OE2 GLU A 839 -3.189 -21.342 2.706 1.00 1.95 O ATOM 0 H GLU A 839 -4.637 -17.290 2.249 1.00 0.26 H new ATOM 0 HA GLU A 839 -6.938 -18.364 1.045 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -5.512 -18.938 3.663 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -6.849 -19.905 3.073 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -5.583 -20.498 1.057 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -4.267 -19.447 1.541 1.00 0.71 H new ATOM 1011 N MET A 840 -7.455 -16.424 3.591 1.00 0.25 N ATOM 1012 CA MET A 840 -8.473 -15.753 4.391 1.00 0.24 C ATOM 1013 C MET A 840 -9.344 -14.867 3.507 1.00 0.24 C ATOM 1014 O MET A 840 -10.542 -14.714 3.748 1.00 0.27 O ATOM 1015 CB MET A 840 -7.807 -14.919 5.495 1.00 0.24 C ATOM 1016 CG MET A 840 -8.618 -13.706 5.933 1.00 0.26 C ATOM 1017 SD MET A 840 -7.626 -12.496 6.831 1.00 0.30 S ATOM 1018 CE MET A 840 -7.051 -11.460 5.486 1.00 0.27 C ATOM 0 H MET A 840 -6.518 -16.032 3.688 1.00 0.25 H new ATOM 0 HA MET A 840 -9.109 -16.506 4.856 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.631 -15.557 6.361 1.00 0.24 H new ATOM 0 HB3 MET A 840 -6.832 -14.583 5.143 1.00 0.24 H new ATOM 0 HG2 MET A 840 -9.057 -13.231 5.056 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.444 -14.034 6.565 1.00 0.26 H new ATOM 0 HE1 MET A 840 -6.787 -10.476 5.872 1.00 0.27 H new ATOM 0 HE2 MET A 840 -6.175 -11.916 5.025 1.00 0.27 H new ATOM 0 HE3 MET A 840 -7.841 -11.358 4.742 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.730 -14.289 2.479 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.442 -13.419 1.551 1.00 0.24 C ATOM 1030 C LEU A 841 -10.410 -14.223 0.689 1.00 0.24 C ATOM 1031 O LEU A 841 -11.570 -13.847 0.528 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.447 -12.671 0.661 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.719 -11.506 1.339 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.449 -11.156 0.581 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.633 -10.294 1.442 1.00 0.38 C ATOM 0 H LEU A 841 -7.739 -14.408 2.268 1.00 0.22 H new ATOM 0 HA LEU A 841 -10.015 -12.696 2.131 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.704 -13.381 0.296 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -8.978 -12.289 -0.211 1.00 0.26 H new ATOM 0 HG LEU A 841 -7.442 -11.813 2.347 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -5.946 -10.326 1.078 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.787 -12.022 0.560 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.702 -10.868 -0.439 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -8.099 -9.476 1.926 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -8.942 -9.985 0.443 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.514 -10.551 2.031 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.924 -15.329 0.136 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.746 -16.186 -0.710 1.00 0.35 C ATOM 1049 C ALA A 842 -11.667 -17.068 0.121 1.00 0.36 C ATOM 1050 O ALA A 842 -12.491 -17.804 -0.423 1.00 0.49 O ATOM 1051 CB ALA A 842 -9.871 -17.042 -1.607 1.00 0.49 C ATOM 0 H ALA A 842 -8.965 -15.653 0.259 1.00 0.30 H new ATOM 0 HA ALA A 842 -11.367 -15.541 -1.331 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -10.500 -17.676 -2.232 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -9.261 -16.399 -2.241 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -9.222 -17.667 -0.993 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.535 -16.985 1.442 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.370 -17.773 2.341 1.00 0.42 C ATOM 1059 C GLU A 843 -13.831 -17.364 2.195 1.00 0.53 C ATOM 1060 O GLU A 843 -14.719 -17.951 2.816 1.00 0.69 O ATOM 1061 CB GLU A 843 -11.917 -17.591 3.791 1.00 0.45 C ATOM 1062 CG GLU A 843 -12.268 -18.766 4.689 1.00 0.57 C ATOM 1063 CD GLU A 843 -11.076 -19.277 5.474 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -10.147 -19.829 4.849 1.00 1.68 O ATOM 1065 OE2 GLU A 843 -11.071 -19.124 6.714 1.00 1.36 O ATOM 0 H GLU A 843 -10.860 -16.382 1.912 1.00 0.34 H new ATOM 0 HA GLU A 843 -12.268 -18.825 2.074 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -10.838 -17.440 3.810 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -12.373 -16.687 4.195 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -13.054 -18.466 5.383 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -12.672 -19.575 4.081 1.00 0.57 H new ATOM 1072 N ASN A 844 -14.068 -16.353 1.365 1.00 0.54 N ATOM 1073 CA ASN A 844 -15.414 -15.853 1.121 1.00 0.77 C ATOM 1074 C ASN A 844 -15.554 -15.393 -0.327 1.00 0.81 C ATOM 1075 O ASN A 844 -16.197 -16.057 -1.140 1.00 1.48 O ATOM 1076 CB ASN A 844 -15.735 -14.691 2.066 1.00 0.89 C ATOM 1077 CG ASN A 844 -15.124 -14.872 3.442 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -14.003 -14.434 3.699 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -15.861 -15.520 4.336 1.00 1.05 N ATOM 0 H ASN A 844 -13.339 -15.862 0.848 1.00 0.54 H new ATOM 0 HA ASN A 844 -16.118 -16.664 1.307 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -15.370 -13.761 1.630 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -16.816 -14.594 2.163 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -15.503 -15.672 5.279 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -16.786 -15.866 4.080 1.00 1.05 H new ATOM 1086 N ASN A 845 -14.941 -14.253 -0.635 1.00 0.49 N ATOM 1087 CA ASN A 845 -14.983 -13.692 -1.982 1.00 0.56 C ATOM 1088 C ASN A 845 -14.183 -12.393 -2.057 1.00 0.48 C ATOM 1089 O ASN A 845 -14.475 -11.519 -2.874 1.00 0.57 O ATOM 1090 CB ASN A 845 -16.431 -13.431 -2.408 1.00 0.73 C ATOM 1091 CG ASN A 845 -16.717 -13.921 -3.814 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -16.515 -15.095 -4.128 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -17.188 -13.021 -4.669 1.00 1.97 N ATOM 0 H ASN A 845 -14.407 -13.698 0.034 1.00 0.49 H new ATOM 0 HA ASN A 845 -14.535 -14.418 -2.661 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -17.107 -13.925 -1.710 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -16.637 -12.362 -2.350 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -17.398 -13.291 -5.630 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -17.340 -12.059 -4.365 1.00 1.97 H new ATOM 1100 N GLU A 846 -13.173 -12.272 -1.198 1.00 0.35 N ATOM 1101 CA GLU A 846 -12.337 -11.078 -1.170 1.00 0.31 C ATOM 1102 C GLU A 846 -11.023 -11.316 -1.907 1.00 0.30 C ATOM 1103 O GLU A 846 -10.450 -12.404 -1.842 1.00 0.49 O ATOM 1104 CB GLU A 846 -12.054 -10.661 0.274 1.00 0.33 C ATOM 1105 CG GLU A 846 -13.027 -9.624 0.810 1.00 0.44 C ATOM 1106 CD GLU A 846 -13.553 -9.975 2.188 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -14.538 -10.738 2.271 1.00 1.69 O ATOM 1108 OE2 GLU A 846 -12.980 -9.487 3.184 1.00 2.30 O ATOM 0 H GLU A 846 -12.916 -12.985 -0.515 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.877 -10.276 -1.674 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -12.090 -11.544 0.912 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -11.041 -10.263 0.337 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -12.532 -8.654 0.850 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -13.865 -9.526 0.120 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.553 -10.287 -2.605 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.305 -10.378 -3.352 1.00 0.31 C ATOM 1117 C LYS A 847 -8.425 -9.163 -3.081 1.00 0.36 C ATOM 1118 O LYS A 847 -7.225 -9.180 -3.361 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.584 -10.491 -4.853 1.00 0.38 C ATOM 1120 CG LYS A 847 -10.782 -9.677 -5.317 1.00 0.69 C ATOM 1121 CD LYS A 847 -11.461 -10.317 -6.517 1.00 0.97 C ATOM 1122 CE LYS A 847 -12.959 -10.061 -6.511 1.00 1.32 C ATOM 1123 NZ LYS A 847 -13.572 -10.313 -7.845 1.00 1.98 N ATOM 0 H LYS A 847 -11.018 -9.381 -2.668 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.779 -11.274 -3.021 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -8.701 -10.166 -5.403 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -9.749 -11.539 -5.105 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -11.498 -9.583 -4.500 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -10.459 -8.668 -5.575 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -11.027 -9.922 -7.436 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -11.274 -11.391 -6.512 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -13.433 -10.701 -5.767 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -13.150 -9.030 -6.213 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -14.594 -10.127 -7.798 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -13.138 -9.685 -8.551 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -13.413 -11.304 -8.119 1.00 1.98 H new ATOM 1137 N PHE A 848 -9.028 -8.113 -2.537 1.00 0.32 N ATOM 1138 CA PHE A 848 -8.298 -6.890 -2.232 1.00 0.37 C ATOM 1139 C PHE A 848 -7.611 -6.984 -0.874 1.00 0.30 C ATOM 1140 O PHE A 848 -8.136 -7.590 0.061 1.00 0.39 O ATOM 1141 CB PHE A 848 -9.238 -5.683 -2.255 1.00 0.50 C ATOM 1142 CG PHE A 848 -10.090 -5.598 -3.489 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -9.514 -5.464 -4.744 1.00 0.92 C ATOM 1144 CD2 PHE A 848 -11.472 -5.652 -3.393 1.00 0.82 C ATOM 1145 CE1 PHE A 848 -10.300 -5.384 -5.877 1.00 1.09 C ATOM 1146 CE2 PHE A 848 -12.263 -5.573 -4.524 1.00 1.02 C ATOM 1147 CZ PHE A 848 -11.676 -5.439 -5.768 1.00 0.98 C ATOM 0 H PHE A 848 -10.019 -8.084 -2.298 1.00 0.32 H new ATOM 0 HA PHE A 848 -7.533 -6.761 -2.998 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -9.886 -5.723 -1.380 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -8.646 -4.772 -2.171 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -8.439 -5.422 -4.836 1.00 0.92 H new ATOM 0 HD2 PHE A 848 -11.936 -5.757 -2.423 1.00 0.82 H new ATOM 0 HE1 PHE A 848 -9.839 -5.278 -6.848 1.00 1.09 H new ATOM 0 HE2 PHE A 848 -13.339 -5.616 -4.436 1.00 1.02 H new ATOM 0 HZ PHE A 848 -12.292 -5.377 -6.653 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.434 -6.376 -0.775 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.667 -6.385 0.464 1.00 0.23 C ATOM 1159 C LEU A 849 -5.347 -4.958 0.906 1.00 0.24 C ATOM 1160 O LEU A 849 -4.881 -4.142 0.109 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.377 -7.192 0.281 1.00 0.26 C ATOM 1162 CG LEU A 849 -3.836 -7.890 1.537 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -2.920 -6.958 2.312 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -4.972 -8.385 2.429 1.00 0.74 C ATOM 0 H LEU A 849 -5.990 -5.869 -1.541 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.267 -6.858 1.242 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.551 -7.948 -0.485 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.605 -6.524 -0.100 1.00 0.26 H new ATOM 0 HG LEU A 849 -3.260 -8.758 1.215 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -2.546 -7.470 3.199 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -2.081 -6.665 1.681 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -3.475 -6.069 2.613 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -4.556 -8.874 3.310 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -5.586 -7.539 2.740 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.586 -9.095 1.875 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.610 -4.671 2.180 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.367 -3.344 2.743 1.00 0.29 C ATOM 1178 C ASN A 850 -3.955 -3.237 3.314 1.00 0.30 C ATOM 1179 O ASN A 850 -3.358 -4.237 3.711 1.00 0.43 O ATOM 1180 CB ASN A 850 -6.394 -3.044 3.838 1.00 0.37 C ATOM 1181 CG ASN A 850 -7.813 -3.014 3.306 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -8.359 -1.814 3.146 1.00 1.52 O flip ATOM 1183 ND2 ASN A 850 -8.413 -4.056 3.041 1.00 0.92 N flip ATOM 0 H ASN A 850 -5.993 -5.343 2.844 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.467 -2.613 1.941 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -6.318 -3.799 4.620 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -6.161 -2.084 4.298 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -7.956 -4.957 3.179 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -9.368 -4.018 2.683 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.427 -2.014 3.348 1.00 0.31 N ATOM 1191 CA ILE A 851 -2.084 -1.773 3.868 1.00 0.36 C ATOM 1192 C ILE A 851 -2.044 -0.530 4.754 1.00 0.53 C ATOM 1193 O ILE A 851 -2.913 0.337 4.657 1.00 0.71 O ATOM 1194 CB ILE A 851 -1.066 -1.610 2.732 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.315 -2.671 1.661 1.00 0.54 C ATOM 1196 CG2 ILE A 851 0.356 -1.689 3.265 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -0.531 -3.955 1.852 1.00 1.04 C ATOM 0 H ILE A 851 -3.909 -1.176 3.022 1.00 0.31 H new ATOM 0 HA ILE A 851 -1.818 -2.646 4.465 1.00 0.36 H new ATOM 0 HB ILE A 851 -1.191 -0.625 2.281 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -2.379 -2.909 1.644 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -1.067 -2.250 0.687 1.00 0.54 H new ATOM 0 HG21 ILE A 851 1.060 -1.571 2.442 1.00 0.53 H new ATOM 0 HG22 ILE A 851 0.515 -0.896 3.995 1.00 0.53 H new ATOM 0 HG23 ILE A 851 0.513 -2.657 3.741 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -0.770 -4.650 1.047 1.00 1.04 H new ATOM 0 HD12 ILE A 851 0.536 -3.735 1.837 1.00 1.04 H new ATOM 0 HD13 ILE A 851 -0.796 -4.404 2.809 1.00 1.04 H new