USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=11 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 -84:sc= 1.28 USER MOD Set 1.2: A 819 GLN : amide:sc= 0 K(o=0.23,f=-1.6) USER MOD Set 1.3: A 850 ASN : amide:sc= -1.05 K(o=0.23,f=-6.5!) USER MOD Single : A 787 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.147) USER MOD Single : A 790 ASN : amide:sc= -0.587 X(o=-0.59,f=-0.29) USER MOD Single : A 796 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 799 ASN :FLIP amide:sc= -1.55 F(o=-4.7!,f=-1.6) 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 180:sc= 0 USER MOD Single : A 814 THR OG1 : rot 180:sc= 0 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 TYR OH : rot 146:sc= 0.085 USER MOD Single : A 830 SER OG : rot -14:sc= 0.558 USER MOD Single : A 835 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.61) USER MOD Single : A 838 LYS NZ :NH3+ -163:sc= 0.625 (180deg=0.472) USER MOD Single : A 840 MET CE :methyl 150:sc= -0.0637 (180deg=-0.652) USER MOD Single : A 844 ASN : amide:sc= -0.654 X(o=-0.65,f=-0.65) USER MOD Single : A 845 ASN : amide:sc= 0.306 X(o=0.31,f=0) USER MOD Single : A 847 LYS NZ :NH3+ 156:sc= -0.0426 (180deg=-0.288) USER MOD ----------------------------------------------------------------- ATOM 55 N ILE A 780 -6.170 4.472 2.988 1.00 0.79 N ATOM 56 CA ILE A 780 -5.299 3.305 3.075 1.00 0.51 C ATOM 57 C ILE A 780 -4.738 2.946 1.701 1.00 0.46 C ATOM 58 O ILE A 780 -4.727 3.774 0.792 1.00 0.53 O ATOM 59 CB ILE A 780 -6.042 2.083 3.656 1.00 0.43 C ATOM 60 CG1 ILE A 780 -7.301 2.523 4.408 1.00 0.64 C ATOM 61 CG2 ILE A 780 -5.125 1.292 4.576 1.00 0.58 C ATOM 62 CD1 ILE A 780 -8.586 2.159 3.696 1.00 1.22 C ATOM 0 HA ILE A 780 -4.481 3.566 3.746 1.00 0.51 H new ATOM 0 HB ILE A 780 -6.343 1.440 2.829 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -7.302 2.067 5.398 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -7.269 3.603 4.554 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -5.664 0.434 4.977 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -4.257 0.945 4.015 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -4.795 1.929 5.397 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -9.437 2.501 4.285 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -8.607 2.637 2.716 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -8.640 1.077 3.573 1.00 1.22 H new ATOM 74 N PHE A 781 -4.279 1.705 1.554 1.00 0.39 N ATOM 75 CA PHE A 781 -3.727 1.239 0.291 1.00 0.36 C ATOM 76 C PHE A 781 -4.301 -0.126 -0.059 1.00 0.30 C ATOM 77 O PHE A 781 -3.656 -1.155 0.134 1.00 0.35 O ATOM 78 CB PHE A 781 -2.198 1.168 0.372 1.00 0.41 C ATOM 79 CG PHE A 781 -1.492 2.086 -0.588 1.00 0.45 C ATOM 80 CD1 PHE A 781 -1.942 3.384 -0.782 1.00 0.73 C ATOM 81 CD2 PHE A 781 -0.383 1.653 -1.301 1.00 0.81 C ATOM 82 CE1 PHE A 781 -1.299 4.230 -1.665 1.00 0.80 C ATOM 83 CE2 PHE A 781 0.264 2.497 -2.185 1.00 0.94 C ATOM 84 CZ PHE A 781 -0.180 3.779 -2.363 1.00 0.73 C ATOM 0 H PHE A 781 -4.280 1.006 2.297 1.00 0.39 H new ATOM 0 HA PHE A 781 -4.000 1.946 -0.493 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -1.886 1.412 1.388 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -1.881 0.143 0.179 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -2.805 3.737 -0.237 1.00 0.73 H new ATOM 0 HD2 PHE A 781 -0.021 0.645 -1.164 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -1.662 5.236 -1.814 1.00 0.80 H new ATOM 0 HE2 PHE A 781 1.122 2.143 -2.737 1.00 0.94 H new ATOM 0 HZ PHE A 781 0.336 4.440 -3.043 1.00 0.73 H new ATOM 94 N THR A 782 -5.528 -0.127 -0.566 1.00 0.28 N ATOM 95 CA THR A 782 -6.200 -1.366 -0.932 1.00 0.29 C ATOM 96 C THR A 782 -6.089 -1.637 -2.425 1.00 0.35 C ATOM 97 O THR A 782 -6.612 -0.885 -3.247 1.00 0.52 O ATOM 98 CB THR A 782 -7.689 -1.336 -0.540 1.00 0.41 C ATOM 99 OG1 THR A 782 -7.968 -0.163 0.232 1.00 0.67 O ATOM 100 CG2 THR A 782 -8.063 -2.575 0.257 1.00 0.44 C ATOM 0 H THR A 782 -6.077 0.716 -0.733 1.00 0.28 H new ATOM 0 HA THR A 782 -5.701 -2.165 -0.383 1.00 0.29 H new ATOM 0 HB THR A 782 -8.283 -1.319 -1.454 1.00 0.41 H new ATOM 0 HG1 THR A 782 -7.741 -0.328 1.171 1.00 0.67 H new ATOM 0 HG21 THR A 782 -9.119 -2.532 0.523 1.00 0.44 H new ATOM 0 HG22 THR A 782 -7.876 -3.465 -0.345 1.00 0.44 H new ATOM 0 HG23 THR A 782 -7.462 -2.619 1.165 1.00 0.44 H new ATOM 108 N LEU A 783 -5.404 -2.723 -2.764 1.00 0.40 N ATOM 109 CA LEU A 783 -5.219 -3.109 -4.157 1.00 0.56 C ATOM 110 C LEU A 783 -5.877 -4.453 -4.434 1.00 0.58 C ATOM 111 O LEU A 783 -6.647 -4.959 -3.618 1.00 0.99 O ATOM 112 CB LEU A 783 -3.728 -3.190 -4.498 1.00 0.67 C ATOM 113 CG LEU A 783 -2.784 -2.595 -3.455 1.00 0.94 C ATOM 114 CD1 LEU A 783 -1.647 -3.558 -3.152 1.00 1.57 C ATOM 115 CD2 LEU A 783 -2.239 -1.259 -3.935 1.00 1.53 C ATOM 0 H LEU A 783 -4.967 -3.353 -2.091 1.00 0.40 H new ATOM 0 HA LEU A 783 -5.688 -2.349 -4.781 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -3.463 -4.237 -4.648 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -3.561 -2.680 -5.447 1.00 0.67 H new ATOM 0 HG LEU A 783 -3.346 -2.429 -2.536 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -0.985 -3.117 -2.407 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -2.055 -4.493 -2.767 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -1.085 -3.756 -4.065 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -1.568 -0.848 -3.181 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -1.693 -1.403 -4.867 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -3.065 -0.568 -4.101 1.00 1.53 H new ATOM 127 N LEU A 784 -5.561 -5.029 -5.585 1.00 0.27 N ATOM 128 CA LEU A 784 -6.112 -6.322 -5.965 1.00 0.26 C ATOM 129 C LEU A 784 -5.000 -7.359 -6.083 1.00 0.23 C ATOM 130 O LEU A 784 -4.163 -7.284 -6.982 1.00 0.29 O ATOM 131 CB LEU A 784 -6.885 -6.204 -7.276 1.00 0.31 C ATOM 132 CG LEU A 784 -6.969 -7.481 -8.119 1.00 0.51 C ATOM 133 CD1 LEU A 784 -8.267 -8.221 -7.837 1.00 0.81 C ATOM 134 CD2 LEU A 784 -6.854 -7.149 -9.599 1.00 0.75 C ATOM 0 H LEU A 784 -4.926 -4.622 -6.272 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.803 -6.650 -5.189 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -7.899 -5.874 -7.049 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -6.423 -5.423 -7.879 1.00 0.31 H new ATOM 0 HG LEU A 784 -6.137 -8.131 -7.846 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -8.310 -9.125 -8.444 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -8.310 -8.490 -6.782 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -9.113 -7.579 -8.083 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -6.916 -8.067 -10.184 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -7.666 -6.481 -9.886 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -5.898 -6.661 -9.789 1.00 0.75 H new ATOM 146 N VAL A 785 -4.989 -8.314 -5.160 1.00 0.25 N ATOM 147 CA VAL A 785 -3.969 -9.356 -5.154 1.00 0.30 C ATOM 148 C VAL A 785 -4.539 -10.700 -5.595 1.00 0.34 C ATOM 149 O VAL A 785 -5.748 -10.925 -5.529 1.00 0.55 O ATOM 150 CB VAL A 785 -3.337 -9.507 -3.755 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.711 -8.194 -3.307 1.00 1.11 C ATOM 152 CG2 VAL A 785 -4.374 -9.983 -2.747 1.00 1.18 C ATOM 0 H VAL A 785 -5.674 -8.388 -4.407 1.00 0.25 H new ATOM 0 HA VAL A 785 -3.201 -9.050 -5.864 1.00 0.30 H new ATOM 0 HB VAL A 785 -2.549 -10.258 -3.812 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.270 -8.320 -2.318 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -1.936 -7.900 -4.015 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -3.478 -7.420 -3.267 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -3.909 -10.083 -1.766 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -5.186 -9.258 -2.691 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -4.770 -10.949 -3.061 1.00 1.18 H new ATOM 162 N GLU A 786 -3.658 -11.586 -6.046 1.00 0.38 N ATOM 163 CA GLU A 786 -4.066 -12.911 -6.500 1.00 0.42 C ATOM 164 C GLU A 786 -3.589 -13.986 -5.527 1.00 0.46 C ATOM 165 O GLU A 786 -2.815 -13.708 -4.611 1.00 0.48 O ATOM 166 CB GLU A 786 -3.507 -13.187 -7.898 1.00 0.43 C ATOM 167 CG GLU A 786 -4.314 -14.206 -8.687 1.00 0.56 C ATOM 168 CD GLU A 786 -4.736 -13.688 -10.048 1.00 0.75 C ATOM 169 OE1 GLU A 786 -3.926 -13.778 -10.995 1.00 1.02 O ATOM 170 OE2 GLU A 786 -5.876 -13.193 -10.168 1.00 1.40 O ATOM 0 H GLU A 786 -2.655 -11.411 -6.107 1.00 0.38 H new ATOM 0 HA GLU A 786 -5.155 -12.938 -6.540 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -3.472 -12.252 -8.457 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.480 -13.542 -7.806 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -3.722 -15.112 -8.815 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -5.201 -14.482 -8.116 1.00 0.56 H new ATOM 177 N LYS A 787 -4.055 -15.214 -5.733 1.00 0.51 N ATOM 178 CA LYS A 787 -3.673 -16.331 -4.875 1.00 0.57 C ATOM 179 C LYS A 787 -2.291 -16.853 -5.250 1.00 0.60 C ATOM 180 O LYS A 787 -1.711 -17.677 -4.544 1.00 1.07 O ATOM 181 CB LYS A 787 -4.703 -17.460 -4.975 1.00 0.64 C ATOM 182 CG LYS A 787 -6.139 -16.973 -5.087 1.00 1.29 C ATOM 183 CD LYS A 787 -6.577 -16.231 -3.832 1.00 1.49 C ATOM 184 CE LYS A 787 -7.381 -14.988 -4.174 1.00 2.24 C ATOM 185 NZ LYS A 787 -7.535 -14.085 -2.998 1.00 2.85 N ATOM 0 H LYS A 787 -4.697 -15.461 -6.486 1.00 0.51 H new ATOM 0 HA LYS A 787 -3.641 -15.972 -3.846 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -4.470 -18.076 -5.843 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -4.614 -18.100 -4.097 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -6.235 -16.316 -5.951 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -6.800 -17.823 -5.258 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -7.176 -16.893 -3.207 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -5.700 -15.950 -3.249 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -6.889 -14.449 -4.984 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -8.366 -15.281 -4.538 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -8.319 -13.423 -3.169 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -7.738 -14.651 -2.150 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -6.655 -13.549 -2.854 1.00 2.85 H new ATOM 199 N VAL A 788 -1.773 -16.363 -6.369 1.00 0.29 N ATOM 200 CA VAL A 788 -0.459 -16.768 -6.853 1.00 0.29 C ATOM 201 C VAL A 788 0.612 -15.773 -6.414 1.00 0.26 C ATOM 202 O VAL A 788 1.791 -16.114 -6.318 1.00 0.29 O ATOM 203 CB VAL A 788 -0.452 -16.884 -8.393 1.00 0.32 C ATOM 204 CG1 VAL A 788 -1.035 -15.631 -9.025 1.00 0.31 C ATOM 205 CG2 VAL A 788 0.955 -17.143 -8.914 1.00 0.33 C ATOM 0 H VAL A 788 -2.246 -15.681 -6.962 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.236 -17.744 -6.422 1.00 0.29 H new ATOM 0 HB VAL A 788 -1.076 -17.733 -8.671 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -1.022 -15.731 -10.110 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -2.062 -15.496 -8.685 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.440 -14.766 -8.733 1.00 0.31 H new ATOM 0 HG21 VAL A 788 0.932 -17.221 -10.001 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.608 -16.320 -8.623 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.334 -18.074 -8.492 1.00 0.33 H new ATOM 215 N TRP A 789 0.190 -14.540 -6.151 1.00 0.21 N ATOM 216 CA TRP A 789 1.105 -13.487 -5.729 1.00 0.18 C ATOM 217 C TRP A 789 1.880 -13.875 -4.476 1.00 0.18 C ATOM 218 O TRP A 789 1.294 -14.217 -3.449 1.00 0.19 O ATOM 219 CB TRP A 789 0.345 -12.190 -5.461 1.00 0.18 C ATOM 220 CG TRP A 789 -0.029 -11.459 -6.710 1.00 0.20 C ATOM 221 CD1 TRP A 789 -0.080 -11.969 -7.973 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.397 -10.079 -6.817 1.00 0.22 C ATOM 223 NE1 TRP A 789 -0.458 -10.994 -8.859 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.660 -9.824 -8.175 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.532 -9.037 -5.894 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -1.049 -8.567 -8.633 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.919 -7.791 -6.350 1.00 0.28 C ATOM 228 CH2 TRP A 789 -1.174 -7.565 -7.709 1.00 0.30 C ATOM 0 H TRP A 789 -0.784 -14.246 -6.223 1.00 0.21 H new ATOM 0 HA TRP A 789 1.814 -13.340 -6.544 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.559 -12.416 -4.895 1.00 0.18 H new ATOM 0 HB3 TRP A 789 0.958 -11.540 -4.836 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.145 -12.992 -8.237 1.00 0.22 H new ATOM 0 HE1 TRP A 789 -0.571 -11.119 -9.865 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.338 -9.203 -4.845 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -1.245 -8.390 -9.680 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -1.027 -6.978 -5.647 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -1.475 -6.580 -8.034 1.00 0.30 H new ATOM 239 N ASN A 790 3.199 -13.785 -4.561 1.00 0.18 N ATOM 240 CA ASN A 790 4.060 -14.088 -3.429 1.00 0.20 C ATOM 241 C ASN A 790 4.425 -12.791 -2.723 1.00 0.18 C ATOM 242 O ASN A 790 4.183 -11.709 -3.256 1.00 0.20 O ATOM 243 CB ASN A 790 5.325 -14.816 -3.890 1.00 0.24 C ATOM 244 CG ASN A 790 5.391 -14.965 -5.396 1.00 0.93 C ATOM 245 OD1 ASN A 790 4.742 -15.835 -5.976 1.00 1.89 O ATOM 246 ND2 ASN A 790 6.179 -14.111 -6.042 1.00 0.77 N ATOM 0 H ASN A 790 3.697 -13.504 -5.405 1.00 0.18 H new ATOM 0 HA ASN A 790 3.529 -14.744 -2.739 1.00 0.20 H new ATOM 0 HB2 ASN A 790 6.202 -14.269 -3.543 1.00 0.24 H new ATOM 0 HB3 ASN A 790 5.361 -15.803 -3.428 1.00 0.24 H new ATOM 0 HD21 ASN A 790 6.263 -14.162 -7.057 1.00 0.77 H new ATOM 0 HD22 ASN A 790 6.700 -13.405 -5.522 1.00 0.77 H new ATOM 253 N PHE A 791 5.000 -12.889 -1.530 1.00 0.20 N ATOM 254 CA PHE A 791 5.384 -11.695 -0.782 1.00 0.20 C ATOM 255 C PHE A 791 6.285 -10.811 -1.635 1.00 0.16 C ATOM 256 O PHE A 791 6.353 -9.599 -1.435 1.00 0.17 O ATOM 257 CB PHE A 791 6.085 -12.085 0.523 1.00 0.26 C ATOM 258 CG PHE A 791 6.678 -10.923 1.270 1.00 0.35 C ATOM 259 CD1 PHE A 791 5.878 -10.090 2.037 1.00 0.44 C ATOM 260 CD2 PHE A 791 8.038 -10.669 1.208 1.00 0.47 C ATOM 261 CE1 PHE A 791 6.425 -9.024 2.726 1.00 0.57 C ATOM 262 CE2 PHE A 791 8.590 -9.604 1.895 1.00 0.59 C ATOM 263 CZ PHE A 791 7.783 -8.781 2.654 1.00 0.63 C ATOM 0 H PHE A 791 5.209 -13.771 -1.063 1.00 0.20 H new ATOM 0 HA PHE A 791 4.485 -11.132 -0.530 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.370 -12.592 1.170 1.00 0.26 H new ATOM 0 HB3 PHE A 791 6.876 -12.801 0.299 1.00 0.26 H new ATOM 0 HD1 PHE A 791 4.816 -10.276 2.097 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.674 -11.310 0.616 1.00 0.47 H new ATOM 0 HE1 PHE A 791 5.792 -8.382 3.320 1.00 0.57 H new ATOM 0 HE2 PHE A 791 9.652 -9.416 1.838 1.00 0.59 H new ATOM 0 HZ PHE A 791 8.213 -7.948 3.191 1.00 0.63 H new ATOM 273 N ASP A 792 6.954 -11.425 -2.603 1.00 0.17 N ATOM 274 CA ASP A 792 7.827 -10.694 -3.508 1.00 0.17 C ATOM 275 C ASP A 792 6.990 -9.890 -4.493 1.00 0.16 C ATOM 276 O ASP A 792 7.110 -8.669 -4.566 1.00 0.19 O ATOM 277 CB ASP A 792 8.744 -11.656 -4.263 1.00 0.22 C ATOM 278 CG ASP A 792 9.427 -12.649 -3.341 1.00 1.17 C ATOM 279 OD1 ASP A 792 9.995 -12.216 -2.317 1.00 1.47 O ATOM 280 OD2 ASP A 792 9.394 -13.860 -3.644 1.00 2.05 O ATOM 0 H ASP A 792 6.907 -12.428 -2.780 1.00 0.17 H new ATOM 0 HA ASP A 792 8.447 -10.014 -2.924 1.00 0.17 H new ATOM 0 HB2 ASP A 792 8.162 -12.198 -5.009 1.00 0.22 H new ATOM 0 HB3 ASP A 792 9.500 -11.085 -4.802 1.00 0.22 H new ATOM 285 N ASP A 793 6.128 -10.584 -5.235 1.00 0.17 N ATOM 286 CA ASP A 793 5.255 -9.932 -6.202 1.00 0.18 C ATOM 287 C ASP A 793 4.402 -8.877 -5.510 1.00 0.17 C ATOM 288 O ASP A 793 4.041 -7.863 -6.107 1.00 0.24 O ATOM 289 CB ASP A 793 4.357 -10.961 -6.889 1.00 0.19 C ATOM 290 CG ASP A 793 4.880 -11.366 -8.253 1.00 0.56 C ATOM 291 OD1 ASP A 793 6.115 -11.415 -8.424 1.00 1.04 O ATOM 292 OD2 ASP A 793 4.053 -11.633 -9.150 1.00 1.07 O ATOM 0 H ASP A 793 6.018 -11.597 -5.183 1.00 0.17 H new ATOM 0 HA ASP A 793 5.874 -9.449 -6.958 1.00 0.18 H new ATOM 0 HB2 ASP A 793 4.274 -11.846 -6.258 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.353 -10.550 -6.995 1.00 0.19 H new ATOM 297 N LEU A 794 4.097 -9.124 -4.242 1.00 0.14 N ATOM 298 CA LEU A 794 3.298 -8.199 -3.451 1.00 0.15 C ATOM 299 C LEU A 794 4.049 -6.890 -3.252 1.00 0.15 C ATOM 300 O LEU A 794 3.542 -5.812 -3.564 1.00 0.17 O ATOM 301 CB LEU A 794 2.964 -8.810 -2.087 1.00 0.19 C ATOM 302 CG LEU A 794 1.937 -8.032 -1.269 1.00 0.26 C ATOM 303 CD1 LEU A 794 0.602 -7.974 -1.996 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.773 -8.653 0.111 1.00 0.70 C ATOM 0 H LEU A 794 4.393 -9.961 -3.739 1.00 0.14 H new ATOM 0 HA LEU A 794 2.371 -8.003 -3.989 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.593 -9.823 -2.240 1.00 0.19 H new ATOM 0 HB3 LEU A 794 3.883 -8.891 -1.507 1.00 0.19 H new ATOM 0 HG LEU A 794 2.299 -7.012 -1.145 1.00 0.26 H new ATOM 0 HD11 LEU A 794 -0.115 -7.415 -1.395 1.00 0.93 H new ATOM 0 HD12 LEU A 794 0.733 -7.479 -2.958 1.00 0.93 H new ATOM 0 HD13 LEU A 794 0.231 -8.986 -2.156 1.00 0.93 H new ATOM 0 HD21 LEU A 794 1.037 -8.085 0.680 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.435 -9.684 0.008 1.00 0.70 H new ATOM 0 HD23 LEU A 794 2.729 -8.635 0.634 1.00 0.70 H new ATOM 316 N ILE A 795 5.262 -7.002 -2.726 1.00 0.19 N ATOM 317 CA ILE A 795 6.106 -5.841 -2.473 1.00 0.22 C ATOM 318 C ILE A 795 6.346 -5.035 -3.746 1.00 0.21 C ATOM 319 O ILE A 795 6.552 -3.828 -3.684 1.00 0.23 O ATOM 320 CB ILE A 795 7.452 -6.268 -1.859 1.00 0.26 C ATOM 321 CG1 ILE A 795 7.238 -6.823 -0.447 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.437 -5.107 -1.835 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.622 -5.828 0.517 1.00 0.32 C ATOM 0 H ILE A 795 5.686 -7.892 -2.465 1.00 0.19 H new ATOM 0 HA ILE A 795 5.578 -5.205 -1.762 1.00 0.22 H new ATOM 0 HB ILE A 795 7.877 -7.054 -2.483 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.596 -7.702 -0.506 1.00 0.30 H new ATOM 0 HG13 ILE A 795 8.197 -7.155 -0.048 1.00 0.30 H new ATOM 0 HG21 ILE A 795 9.378 -5.438 -1.396 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.613 -4.758 -2.853 1.00 0.28 H new ATOM 0 HG23 ILE A 795 8.025 -4.293 -1.239 1.00 0.28 H new ATOM 0 HD11 ILE A 795 6.502 -6.295 1.495 1.00 0.32 H new ATOM 0 HD12 ILE A 795 7.273 -4.958 0.608 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.647 -5.514 0.143 1.00 0.32 H new ATOM 335 N MET A 796 6.307 -5.697 -4.898 1.00 0.23 N ATOM 336 CA MET A 796 6.513 -5.011 -6.172 1.00 0.26 C ATOM 337 C MET A 796 5.350 -4.072 -6.468 1.00 0.23 C ATOM 338 O MET A 796 5.552 -2.893 -6.758 1.00 0.22 O ATOM 339 CB MET A 796 6.671 -6.018 -7.313 1.00 0.36 C ATOM 340 CG MET A 796 7.615 -7.162 -6.988 1.00 0.46 C ATOM 341 SD MET A 796 8.313 -7.927 -8.463 1.00 0.67 S ATOM 342 CE MET A 796 9.576 -8.970 -7.738 1.00 1.53 C ATOM 0 H MET A 796 6.136 -6.699 -4.978 1.00 0.23 H new ATOM 0 HA MET A 796 7.429 -4.426 -6.094 1.00 0.26 H new ATOM 0 HB2 MET A 796 5.692 -6.426 -7.564 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.036 -5.497 -8.198 1.00 0.36 H new ATOM 0 HG2 MET A 796 8.424 -6.792 -6.358 1.00 0.46 H new ATOM 0 HG3 MET A 796 7.080 -7.916 -6.411 1.00 0.46 H new ATOM 0 HE1 MET A 796 10.098 -9.511 -8.527 1.00 1.53 H new ATOM 0 HE2 MET A 796 10.287 -8.352 -7.189 1.00 1.53 H new ATOM 0 HE3 MET A 796 9.112 -9.682 -7.056 1.00 1.53 H new ATOM 352 N ALA A 797 4.131 -4.598 -6.379 1.00 0.26 N ATOM 353 CA ALA A 797 2.938 -3.799 -6.625 1.00 0.30 C ATOM 354 C ALA A 797 2.954 -2.557 -5.742 1.00 0.28 C ATOM 355 O ALA A 797 2.836 -1.431 -6.227 1.00 0.30 O ATOM 356 CB ALA A 797 1.685 -4.623 -6.368 1.00 0.38 C ATOM 0 H ALA A 797 3.946 -5.572 -6.139 1.00 0.26 H new ATOM 0 HA ALA A 797 2.931 -3.486 -7.669 1.00 0.30 H new ATOM 0 HB1 ALA A 797 0.802 -4.012 -6.556 1.00 0.38 H new ATOM 0 HB2 ALA A 797 1.676 -5.488 -7.032 1.00 0.38 H new ATOM 0 HB3 ALA A 797 1.678 -4.961 -5.332 1.00 0.38 H new ATOM 362 N ILE A 798 3.126 -2.777 -4.444 1.00 0.27 N ATOM 363 CA ILE A 798 3.187 -1.688 -3.483 1.00 0.31 C ATOM 364 C ILE A 798 4.303 -0.722 -3.846 1.00 0.29 C ATOM 365 O ILE A 798 4.085 0.483 -3.960 1.00 0.33 O ATOM 366 CB ILE A 798 3.437 -2.219 -2.064 1.00 0.35 C ATOM 367 CG1 ILE A 798 2.230 -3.024 -1.579 1.00 0.40 C ATOM 368 CG2 ILE A 798 3.750 -1.072 -1.115 1.00 0.42 C ATOM 369 CD1 ILE A 798 2.425 -3.644 -0.211 1.00 0.50 C ATOM 0 H ILE A 798 3.226 -3.705 -4.034 1.00 0.27 H new ATOM 0 HA ILE A 798 2.227 -1.172 -3.510 1.00 0.31 H new ATOM 0 HB ILE A 798 4.301 -2.883 -2.083 1.00 0.35 H new ATOM 0 HG12 ILE A 798 1.356 -2.373 -1.552 1.00 0.40 H new ATOM 0 HG13 ILE A 798 2.017 -3.814 -2.300 1.00 0.40 H new ATOM 0 HG21 ILE A 798 3.925 -1.466 -0.114 1.00 0.42 H new ATOM 0 HG22 ILE A 798 4.641 -0.548 -1.459 1.00 0.42 H new ATOM 0 HG23 ILE A 798 2.909 -0.380 -1.091 1.00 0.42 H new ATOM 0 HD11 ILE A 798 1.529 -4.199 0.068 1.00 0.50 H new ATOM 0 HD12 ILE A 798 3.279 -4.321 -0.237 1.00 0.50 H new ATOM 0 HD13 ILE A 798 2.608 -2.858 0.522 1.00 0.50 H new ATOM 381 N ASN A 799 5.502 -1.270 -4.021 1.00 0.25 N ATOM 382 CA ASN A 799 6.670 -0.470 -4.369 1.00 0.29 C ATOM 383 C ASN A 799 6.420 0.357 -5.625 1.00 0.27 C ATOM 384 O ASN A 799 7.051 1.393 -5.830 1.00 0.36 O ATOM 385 CB ASN A 799 7.887 -1.371 -4.575 1.00 0.30 C ATOM 386 CG ASN A 799 9.129 -0.830 -3.897 1.00 0.38 C ATOM 387 OD1 ASN A 799 9.008 -0.509 -2.614 1.00 0.81 O flip ATOM 388 ND2 ASN A 799 10.185 -0.702 -4.518 1.00 0.78 N flip ATOM 0 H ASN A 799 5.690 -2.268 -3.927 1.00 0.25 H new ATOM 0 HA ASN A 799 6.864 0.214 -3.543 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.669 -2.366 -4.187 1.00 0.30 H new ATOM 0 HB3 ASN A 799 8.078 -1.480 -5.643 1.00 0.30 H new ATOM 0 HD21 ASN A 799 10.232 -0.962 -5.503 1.00 0.78 H new ATOM 0 HD22 ASN A 799 11.013 -0.336 -4.047 1.00 0.78 H new ATOM 395 N SER A 800 5.496 -0.104 -6.460 1.00 0.22 N ATOM 396 CA SER A 800 5.166 0.601 -7.693 1.00 0.25 C ATOM 397 C SER A 800 4.252 1.787 -7.403 1.00 0.28 C ATOM 398 O SER A 800 4.246 2.774 -8.139 1.00 0.33 O ATOM 399 CB SER A 800 4.493 -0.348 -8.687 1.00 0.28 C ATOM 400 OG SER A 800 4.189 0.314 -9.902 1.00 0.98 O ATOM 0 H SER A 800 4.963 -0.960 -6.307 1.00 0.22 H new ATOM 0 HA SER A 800 6.092 0.972 -8.133 1.00 0.25 H new ATOM 0 HB2 SER A 800 5.149 -1.195 -8.886 1.00 0.28 H new ATOM 0 HB3 SER A 800 3.579 -0.749 -8.249 1.00 0.28 H new ATOM 0 HG SER A 800 3.761 -0.316 -10.519 1.00 0.98 H new ATOM 406 N LYS A 801 3.479 1.677 -6.328 1.00 0.30 N ATOM 407 CA LYS A 801 2.556 2.739 -5.940 1.00 0.37 C ATOM 408 C LYS A 801 3.099 3.545 -4.759 1.00 0.40 C ATOM 409 O LYS A 801 2.415 4.426 -4.238 1.00 0.49 O ATOM 410 CB LYS A 801 1.191 2.148 -5.584 1.00 0.42 C ATOM 411 CG LYS A 801 0.157 2.295 -6.690 1.00 0.67 C ATOM 412 CD LYS A 801 0.092 1.051 -7.562 1.00 1.05 C ATOM 413 CE LYS A 801 -1.195 0.275 -7.330 1.00 1.43 C ATOM 414 NZ LYS A 801 -1.638 -0.445 -8.555 1.00 2.25 N ATOM 0 H LYS A 801 3.473 0.865 -5.711 1.00 0.30 H new ATOM 0 HA LYS A 801 2.447 3.414 -6.789 1.00 0.37 H new ATOM 0 HB2 LYS A 801 1.312 1.090 -5.350 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.818 2.634 -4.682 1.00 0.42 H new ATOM 0 HG2 LYS A 801 -0.822 2.484 -6.251 1.00 0.67 H new ATOM 0 HG3 LYS A 801 0.402 3.160 -7.306 1.00 0.67 H new ATOM 0 HD2 LYS A 801 0.162 1.337 -8.612 1.00 1.05 H new ATOM 0 HD3 LYS A 801 0.948 0.411 -7.349 1.00 1.05 H new ATOM 0 HE2 LYS A 801 -1.046 -0.441 -6.522 1.00 1.43 H new ATOM 0 HE3 LYS A 801 -1.979 0.960 -7.008 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 -2.518 -0.961 -8.355 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 -1.805 0.240 -9.319 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 -0.901 -1.118 -8.848 1.00 2.25 H new ATOM 428 N ILE A 802 4.324 3.240 -4.336 1.00 0.39 N ATOM 429 CA ILE A 802 4.937 3.945 -3.213 1.00 0.45 C ATOM 430 C ILE A 802 6.316 4.497 -3.570 1.00 0.50 C ATOM 431 O ILE A 802 6.791 5.448 -2.948 1.00 0.60 O ATOM 432 CB ILE A 802 5.069 3.036 -1.975 1.00 0.47 C ATOM 433 CG1 ILE A 802 6.073 1.917 -2.233 1.00 0.42 C ATOM 434 CG2 ILE A 802 3.716 2.464 -1.588 1.00 0.49 C ATOM 435 CD1 ILE A 802 7.214 1.890 -1.241 1.00 0.75 C ATOM 0 H ILE A 802 4.908 2.514 -4.751 1.00 0.39 H new ATOM 0 HA ILE A 802 4.272 4.776 -2.980 1.00 0.45 H new ATOM 0 HB ILE A 802 5.437 3.638 -1.145 1.00 0.47 H new ATOM 0 HG12 ILE A 802 5.553 0.959 -2.203 1.00 0.42 H new ATOM 0 HG13 ILE A 802 6.479 2.028 -3.239 1.00 0.42 H new ATOM 0 HG21 ILE A 802 3.828 1.825 -0.712 1.00 0.49 H new ATOM 0 HG22 ILE A 802 3.029 3.278 -1.357 1.00 0.49 H new ATOM 0 HG23 ILE A 802 3.318 1.878 -2.416 1.00 0.49 H new ATOM 0 HD11 ILE A 802 7.889 1.070 -1.485 1.00 0.75 H new ATOM 0 HD12 ILE A 802 7.758 2.833 -1.287 1.00 0.75 H new ATOM 0 HD13 ILE A 802 6.818 1.748 -0.235 1.00 0.75 H new ATOM 447 N SER A 803 6.958 3.897 -4.569 1.00 0.45 N ATOM 448 CA SER A 803 8.284 4.336 -4.992 1.00 0.53 C ATOM 449 C SER A 803 8.292 4.711 -6.471 1.00 0.61 C ATOM 450 O SER A 803 9.078 5.557 -6.902 1.00 1.19 O ATOM 451 CB SER A 803 9.318 3.239 -4.731 1.00 0.60 C ATOM 452 OG SER A 803 10.622 3.674 -5.074 1.00 1.53 O ATOM 0 H SER A 803 6.584 3.109 -5.098 1.00 0.45 H new ATOM 0 HA SER A 803 8.544 5.220 -4.410 1.00 0.53 H new ATOM 0 HB2 SER A 803 9.292 2.953 -3.679 1.00 0.60 H new ATOM 0 HB3 SER A 803 9.064 2.351 -5.309 1.00 0.60 H new ATOM 0 HG SER A 803 11.264 2.955 -4.896 1.00 1.53 H new ATOM 576 N PRO A 812 11.710 2.799 -0.779 1.00 0.70 N ATOM 577 CA PRO A 812 11.077 1.474 -0.825 1.00 0.66 C ATOM 578 C PRO A 812 10.811 0.916 0.570 1.00 0.62 C ATOM 579 O PRO A 812 11.301 1.450 1.565 1.00 0.73 O ATOM 580 CB PRO A 812 12.103 0.603 -1.561 1.00 0.70 C ATOM 581 CG PRO A 812 12.982 1.564 -2.283 1.00 0.95 C ATOM 582 CD PRO A 812 13.033 2.794 -1.427 1.00 0.77 C ATOM 0 HA PRO A 812 10.104 1.507 -1.315 1.00 0.66 H new ATOM 0 HB2 PRO A 812 12.676 -0.007 -0.862 1.00 0.70 H new ATOM 0 HB3 PRO A 812 11.614 -0.081 -2.254 1.00 0.70 H new ATOM 0 HG2 PRO A 812 13.979 1.148 -2.429 1.00 0.95 H new ATOM 0 HG3 PRO A 812 12.583 1.792 -3.272 1.00 0.95 H new ATOM 0 HD2 PRO A 812 13.840 2.745 -0.696 1.00 0.77 H new ATOM 0 HD3 PRO A 812 13.195 3.693 -2.021 1.00 0.77 H new ATOM 590 N ILE A 813 10.033 -0.161 0.638 1.00 0.62 N ATOM 591 CA ILE A 813 9.704 -0.788 1.916 1.00 0.61 C ATOM 592 C ILE A 813 9.696 -2.309 1.801 1.00 0.59 C ATOM 593 O ILE A 813 10.011 -2.866 0.750 1.00 0.75 O ATOM 594 CB ILE A 813 8.334 -0.320 2.440 1.00 0.70 C ATOM 595 CG1 ILE A 813 7.253 -0.536 1.379 1.00 1.22 C ATOM 596 CG2 ILE A 813 8.392 1.143 2.853 1.00 1.05 C ATOM 597 CD1 ILE A 813 5.862 -0.697 1.956 1.00 1.94 C ATOM 0 H ILE A 813 9.619 -0.617 -0.175 1.00 0.62 H new ATOM 0 HA ILE A 813 10.478 -0.483 2.620 1.00 0.61 H new ATOM 0 HB ILE A 813 8.079 -0.914 3.317 1.00 0.70 H new ATOM 0 HG12 ILE A 813 7.257 0.310 0.691 1.00 1.22 H new ATOM 0 HG13 ILE A 813 7.500 -1.423 0.795 1.00 1.22 H new ATOM 0 HG21 ILE A 813 7.415 1.456 3.221 1.00 1.05 H new ATOM 0 HG22 ILE A 813 9.134 1.269 3.641 1.00 1.05 H new ATOM 0 HG23 ILE A 813 8.669 1.753 1.993 1.00 1.05 H new ATOM 0 HD11 ILE A 813 5.147 -0.846 1.147 1.00 1.94 H new ATOM 0 HD12 ILE A 813 5.842 -1.560 2.622 1.00 1.94 H new ATOM 0 HD13 ILE A 813 5.594 0.199 2.516 1.00 1.94 H new ATOM 609 N THR A 814 9.331 -2.974 2.894 1.00 0.49 N ATOM 610 CA THR A 814 9.277 -4.431 2.927 1.00 0.49 C ATOM 611 C THR A 814 8.362 -4.919 4.048 1.00 0.47 C ATOM 612 O THR A 814 7.604 -5.873 3.871 1.00 0.54 O ATOM 613 CB THR A 814 10.677 -5.043 3.119 1.00 0.53 C ATOM 614 OG1 THR A 814 10.564 -6.438 3.429 1.00 1.16 O ATOM 615 CG2 THR A 814 11.433 -4.334 4.232 1.00 1.07 C ATOM 0 H THR A 814 9.068 -2.524 3.771 1.00 0.49 H new ATOM 0 HA THR A 814 8.878 -4.755 1.966 1.00 0.49 H new ATOM 0 HB THR A 814 11.232 -4.919 2.189 1.00 0.53 H new ATOM 0 HG1 THR A 814 11.459 -6.820 3.548 1.00 1.16 H new ATOM 0 HG21 THR A 814 12.418 -4.785 4.347 1.00 1.07 H new ATOM 0 HG22 THR A 814 11.544 -3.279 3.982 1.00 1.07 H new ATOM 0 HG23 THR A 814 10.879 -4.429 5.166 1.00 1.07 H new ATOM 623 N LYS A 815 8.441 -4.256 5.197 1.00 0.42 N ATOM 624 CA LYS A 815 7.620 -4.617 6.349 1.00 0.42 C ATOM 625 C LYS A 815 6.513 -3.592 6.568 1.00 0.40 C ATOM 626 O LYS A 815 6.774 -2.393 6.659 1.00 0.48 O ATOM 627 CB LYS A 815 8.487 -4.723 7.604 1.00 0.49 C ATOM 628 CG LYS A 815 8.514 -6.116 8.212 1.00 0.89 C ATOM 629 CD LYS A 815 9.896 -6.468 8.737 1.00 1.30 C ATOM 630 CE LYS A 815 9.922 -7.858 9.353 1.00 1.97 C ATOM 631 NZ LYS A 815 9.545 -7.835 10.793 1.00 2.69 N ATOM 0 H LYS A 815 9.065 -3.465 5.356 1.00 0.42 H new ATOM 0 HA LYS A 815 7.161 -5.585 6.149 1.00 0.42 H new ATOM 0 HB2 LYS A 815 9.506 -4.424 7.357 1.00 0.49 H new ATOM 0 HB3 LYS A 815 8.119 -4.018 8.349 1.00 0.49 H new ATOM 0 HG2 LYS A 815 7.790 -6.174 9.024 1.00 0.89 H new ATOM 0 HG3 LYS A 815 8.211 -6.847 7.462 1.00 0.89 H new ATOM 0 HD2 LYS A 815 10.619 -6.416 7.923 1.00 1.30 H new ATOM 0 HD3 LYS A 815 10.201 -5.733 9.482 1.00 1.30 H new ATOM 0 HE2 LYS A 815 9.237 -8.509 8.809 1.00 1.97 H new ATOM 0 HE3 LYS A 815 10.920 -8.284 9.246 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 9.575 -8.802 11.175 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 10.213 -7.234 11.317 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 8.583 -7.453 10.894 1.00 2.69 H new ATOM 645 N ILE A 816 5.276 -4.073 6.649 1.00 0.36 N ATOM 646 CA ILE A 816 4.127 -3.197 6.855 1.00 0.38 C ATOM 647 C ILE A 816 2.966 -3.946 7.502 1.00 0.33 C ATOM 648 O ILE A 816 3.086 -5.123 7.846 1.00 0.37 O ATOM 649 CB ILE A 816 3.640 -2.578 5.528 1.00 0.41 C ATOM 650 CG1 ILE A 816 4.092 -3.425 4.336 1.00 0.59 C ATOM 651 CG2 ILE A 816 4.149 -1.151 5.392 1.00 0.84 C ATOM 652 CD1 ILE A 816 3.312 -4.714 4.179 1.00 0.53 C ATOM 0 H ILE A 816 5.044 -5.063 6.575 1.00 0.36 H new ATOM 0 HA ILE A 816 4.461 -2.401 7.521 1.00 0.38 H new ATOM 0 HB ILE A 816 2.550 -2.559 5.538 1.00 0.41 H new ATOM 0 HG12 ILE A 816 3.993 -2.836 3.424 1.00 0.59 H new ATOM 0 HG13 ILE A 816 5.150 -3.662 4.449 1.00 0.59 H new ATOM 0 HG21 ILE A 816 3.797 -0.727 4.451 1.00 0.84 H new ATOM 0 HG22 ILE A 816 3.776 -0.551 6.222 1.00 0.84 H new ATOM 0 HG23 ILE A 816 5.239 -1.151 5.405 1.00 0.84 H new ATOM 0 HD11 ILE A 816 3.686 -5.263 3.315 1.00 0.53 H new ATOM 0 HD12 ILE A 816 3.431 -5.323 5.075 1.00 0.53 H new ATOM 0 HD13 ILE A 816 2.256 -4.485 4.034 1.00 0.53 H new ATOM 664 N LYS A 817 1.842 -3.255 7.660 1.00 0.32 N ATOM 665 CA LYS A 817 0.651 -3.848 8.257 1.00 0.31 C ATOM 666 C LYS A 817 -0.425 -4.068 7.201 1.00 0.32 C ATOM 667 O LYS A 817 -0.306 -3.586 6.075 1.00 0.59 O ATOM 668 CB LYS A 817 0.104 -2.949 9.371 1.00 0.37 C ATOM 669 CG LYS A 817 1.068 -2.757 10.529 1.00 0.39 C ATOM 670 CD LYS A 817 0.573 -3.461 11.781 1.00 0.38 C ATOM 671 CE LYS A 817 1.140 -2.829 13.040 1.00 0.50 C ATOM 672 NZ LYS A 817 0.405 -3.265 14.260 1.00 0.85 N ATOM 0 H LYS A 817 1.731 -2.280 7.382 1.00 0.32 H new ATOM 0 HA LYS A 817 0.931 -4.811 8.683 1.00 0.31 H new ATOM 0 HB2 LYS A 817 -0.144 -1.974 8.951 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.824 -3.378 9.749 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.050 -3.144 10.256 1.00 0.39 H new ATOM 0 HG3 LYS A 817 1.190 -1.693 10.731 1.00 0.39 H new ATOM 0 HD2 LYS A 817 -0.516 -3.424 11.813 1.00 0.38 H new ATOM 0 HD3 LYS A 817 0.855 -4.513 11.743 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.193 -3.094 13.137 1.00 0.50 H new ATOM 0 HE3 LYS A 817 1.091 -1.743 12.955 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 0.823 -2.812 15.098 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 -0.595 -2.990 14.180 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 0.473 -4.298 14.356 1.00 0.85 H new ATOM 686 N TYR A 818 -1.476 -4.793 7.568 1.00 0.23 N ATOM 687 CA TYR A 818 -2.573 -5.062 6.645 1.00 0.22 C ATOM 688 C TYR A 818 -3.856 -5.399 7.397 1.00 0.23 C ATOM 689 O TYR A 818 -3.821 -5.819 8.555 1.00 0.31 O ATOM 690 CB TYR A 818 -2.204 -6.195 5.682 1.00 0.26 C ATOM 691 CG TYR A 818 -2.293 -7.579 6.285 1.00 0.30 C ATOM 692 CD1 TYR A 818 -1.351 -8.014 7.209 1.00 0.46 C ATOM 693 CD2 TYR A 818 -3.323 -8.444 5.939 1.00 0.41 C ATOM 694 CE1 TYR A 818 -1.433 -9.275 7.769 1.00 0.58 C ATOM 695 CE2 TYR A 818 -3.413 -9.704 6.498 1.00 0.51 C ATOM 696 CZ TYR A 818 -2.449 -10.131 7.378 1.00 0.56 C ATOM 697 OH TYR A 818 -2.551 -11.370 7.969 1.00 0.71 O ATOM 0 H TYR A 818 -1.592 -5.204 8.494 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.750 -4.156 6.065 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -2.862 -6.147 4.814 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.188 -6.033 5.322 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -0.543 -7.357 7.494 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -4.065 -8.127 5.222 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -0.710 -9.591 8.506 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -4.239 -10.351 6.244 1.00 0.51 H new ATOM 0 HH TYR A 818 -3.495 -11.623 8.038 1.00 0.71 H new ATOM 707 N GLN A 819 -4.988 -5.203 6.730 1.00 0.27 N ATOM 708 CA GLN A 819 -6.290 -5.469 7.322 1.00 0.34 C ATOM 709 C GLN A 819 -6.578 -6.963 7.360 1.00 0.40 C ATOM 710 O GLN A 819 -6.943 -7.568 6.351 1.00 0.45 O ATOM 711 CB GLN A 819 -7.389 -4.749 6.541 1.00 0.44 C ATOM 712 CG GLN A 819 -8.749 -4.802 7.219 1.00 0.56 C ATOM 713 CD GLN A 819 -9.857 -4.235 6.353 1.00 1.14 C ATOM 714 OE1 GLN A 819 -9.604 -3.710 5.269 1.00 1.91 O ATOM 715 NE2 GLN A 819 -11.091 -4.340 6.828 1.00 1.44 N ATOM 0 H GLN A 819 -5.028 -4.858 5.771 1.00 0.27 H new ATOM 0 HA GLN A 819 -6.275 -5.093 8.345 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -7.102 -3.707 6.402 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.469 -5.193 5.549 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -8.984 -5.836 7.472 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.705 -4.247 8.156 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -11.253 -4.783 7.732 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -11.877 -3.977 6.289 1.00 1.44 H new ATOM 724 N ASP A 820 -6.415 -7.547 8.537 1.00 0.43 N ATOM 725 CA ASP A 820 -6.661 -8.972 8.729 1.00 0.53 C ATOM 726 C ASP A 820 -8.156 -9.246 8.864 1.00 0.62 C ATOM 727 O ASP A 820 -8.976 -8.338 8.730 1.00 0.65 O ATOM 728 CB ASP A 820 -5.922 -9.473 9.972 1.00 0.58 C ATOM 729 CG ASP A 820 -5.346 -10.865 9.786 1.00 1.13 C ATOM 730 OD1 ASP A 820 -5.600 -11.479 8.729 1.00 1.80 O ATOM 731 OD2 ASP A 820 -4.638 -11.340 10.699 1.00 1.34 O ATOM 0 H ASP A 820 -6.112 -7.056 9.378 1.00 0.43 H new ATOM 0 HA ASP A 820 -6.288 -9.506 7.855 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -5.117 -8.780 10.216 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -6.606 -9.477 10.820 1.00 0.58 H new ATOM 736 N GLU A 821 -8.505 -10.503 9.126 1.00 0.71 N ATOM 737 CA GLU A 821 -9.904 -10.893 9.276 1.00 0.82 C ATOM 738 C GLU A 821 -10.416 -10.581 10.679 1.00 0.83 C ATOM 739 O GLU A 821 -11.463 -11.077 11.094 1.00 0.97 O ATOM 740 CB GLU A 821 -10.075 -12.384 8.980 1.00 0.96 C ATOM 741 CG GLU A 821 -9.122 -13.273 9.761 1.00 1.10 C ATOM 742 CD GLU A 821 -9.474 -14.745 9.652 1.00 1.30 C ATOM 743 OE1 GLU A 821 -9.572 -15.250 8.513 1.00 1.62 O ATOM 744 OE2 GLU A 821 -9.651 -15.392 10.706 1.00 1.53 O ATOM 0 H GLU A 821 -7.839 -11.268 9.239 1.00 0.71 H new ATOM 0 HA GLU A 821 -10.490 -10.316 8.561 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -11.100 -12.676 9.208 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -9.925 -12.554 7.914 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -8.106 -13.118 9.397 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -9.133 -12.977 10.810 1.00 1.10 H new ATOM 751 N ASP A 822 -9.669 -9.757 11.408 1.00 0.79 N ATOM 752 CA ASP A 822 -10.048 -9.379 12.765 1.00 0.81 C ATOM 753 C ASP A 822 -10.695 -7.999 12.789 1.00 0.73 C ATOM 754 O ASP A 822 -10.982 -7.456 13.855 1.00 0.78 O ATOM 755 CB ASP A 822 -8.823 -9.395 13.681 1.00 0.86 C ATOM 756 CG ASP A 822 -8.854 -10.544 14.669 1.00 1.20 C ATOM 757 OD1 ASP A 822 -9.117 -11.688 14.242 1.00 1.56 O ATOM 758 OD2 ASP A 822 -8.616 -10.300 15.871 1.00 1.65 O ATOM 0 H ASP A 822 -8.798 -9.339 11.082 1.00 0.79 H new ATOM 0 HA ASP A 822 -10.776 -10.106 13.126 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -7.920 -9.466 13.074 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -8.768 -8.453 14.226 1.00 0.86 H new ATOM 763 N GLY A 823 -10.922 -7.436 11.606 1.00 0.68 N ATOM 764 CA GLY A 823 -11.535 -6.124 11.514 1.00 0.70 C ATOM 765 C GLY A 823 -10.573 -5.008 11.873 1.00 0.67 C ATOM 766 O GLY A 823 -10.991 -3.881 12.139 1.00 0.88 O ATOM 0 H GLY A 823 -10.692 -7.865 10.710 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -11.904 -5.969 10.500 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -12.399 -6.083 12.178 1.00 0.70 H new ATOM 770 N ASP A 824 -9.282 -5.323 11.882 1.00 0.54 N ATOM 771 CA ASP A 824 -8.259 -4.344 12.211 1.00 0.57 C ATOM 772 C ASP A 824 -7.014 -4.570 11.358 1.00 0.55 C ATOM 773 O ASP A 824 -7.108 -5.000 10.210 1.00 0.93 O ATOM 774 CB ASP A 824 -7.910 -4.428 13.699 1.00 0.65 C ATOM 775 CG ASP A 824 -7.628 -3.066 14.306 1.00 1.15 C ATOM 776 OD1 ASP A 824 -7.011 -2.227 13.618 1.00 1.86 O ATOM 777 OD2 ASP A 824 -8.022 -2.842 15.469 1.00 1.48 O ATOM 0 H ASP A 824 -8.921 -6.252 11.664 1.00 0.54 H new ATOM 0 HA ASP A 824 -8.646 -3.347 11.999 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -8.733 -4.899 14.236 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -7.037 -5.068 13.829 1.00 0.65 H new ATOM 782 N PHE A 825 -5.850 -4.278 11.927 1.00 0.42 N ATOM 783 CA PHE A 825 -4.587 -4.450 11.219 1.00 0.37 C ATOM 784 C PHE A 825 -3.599 -5.253 12.057 1.00 0.38 C ATOM 785 O PHE A 825 -3.637 -5.212 13.287 1.00 0.44 O ATOM 786 CB PHE A 825 -3.980 -3.089 10.874 1.00 0.39 C ATOM 787 CG PHE A 825 -4.709 -2.361 9.779 1.00 0.41 C ATOM 788 CD1 PHE A 825 -5.919 -1.736 10.031 1.00 0.59 C ATOM 789 CD2 PHE A 825 -4.182 -2.302 8.498 1.00 0.38 C ATOM 790 CE1 PHE A 825 -6.592 -1.064 9.027 1.00 0.64 C ATOM 791 CE2 PHE A 825 -4.848 -1.632 7.490 1.00 0.43 C ATOM 792 CZ PHE A 825 -6.055 -1.013 7.756 1.00 0.52 C ATOM 0 H PHE A 825 -5.755 -3.921 12.878 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.790 -4.997 10.298 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.973 -2.467 11.769 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.941 -3.230 10.575 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -6.342 -1.774 11.024 1.00 0.59 H new ATOM 0 HD2 PHE A 825 -3.240 -2.785 8.286 1.00 0.38 H new ATOM 0 HE1 PHE A 825 -7.535 -0.581 9.236 1.00 0.64 H new ATOM 0 HE2 PHE A 825 -4.427 -1.592 6.496 1.00 0.43 H new ATOM 0 HZ PHE A 825 -6.578 -0.489 6.969 1.00 0.52 H new ATOM 802 N VAL A 826 -2.710 -5.975 11.382 1.00 0.38 N ATOM 803 CA VAL A 826 -1.707 -6.779 12.065 1.00 0.45 C ATOM 804 C VAL A 826 -0.360 -6.670 11.357 1.00 0.36 C ATOM 805 O VAL A 826 -0.229 -5.942 10.370 1.00 0.31 O ATOM 806 CB VAL A 826 -2.128 -8.257 12.148 1.00 0.54 C ATOM 807 CG1 VAL A 826 -3.242 -8.434 13.169 1.00 0.97 C ATOM 808 CG2 VAL A 826 -2.564 -8.768 10.786 1.00 0.79 C ATOM 0 H VAL A 826 -2.665 -6.019 10.364 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.615 -6.391 13.079 1.00 0.45 H new ATOM 0 HB VAL A 826 -1.267 -8.843 12.471 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -3.529 -9.485 13.216 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -2.892 -8.109 14.149 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -4.104 -7.835 12.874 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -2.857 -9.815 10.867 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -3.410 -8.180 10.431 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -1.737 -8.676 10.081 1.00 0.79 H new ATOM 818 N VAL A 827 0.638 -7.382 11.865 1.00 0.37 N ATOM 819 CA VAL A 827 1.974 -7.343 11.278 1.00 0.33 C ATOM 820 C VAL A 827 2.221 -8.534 10.362 1.00 0.30 C ATOM 821 O VAL A 827 2.289 -9.678 10.814 1.00 0.35 O ATOM 822 CB VAL A 827 3.069 -7.317 12.361 1.00 0.41 C ATOM 823 CG1 VAL A 827 4.272 -6.518 11.885 1.00 0.52 C ATOM 824 CG2 VAL A 827 2.527 -6.748 13.665 1.00 0.56 C ATOM 0 H VAL A 827 0.550 -7.991 12.678 1.00 0.37 H new ATOM 0 HA VAL A 827 2.023 -6.424 10.694 1.00 0.33 H new ATOM 0 HB VAL A 827 3.389 -8.342 12.546 1.00 0.41 H new ATOM 0 HG11 VAL A 827 5.035 -6.511 12.663 1.00 0.52 H new ATOM 0 HG12 VAL A 827 4.678 -6.975 10.983 1.00 0.52 H new ATOM 0 HG13 VAL A 827 3.966 -5.495 11.667 1.00 0.52 H new ATOM 0 HG21 VAL A 827 3.318 -6.740 14.415 1.00 0.56 H new ATOM 0 HG22 VAL A 827 2.174 -5.730 13.499 1.00 0.56 H new ATOM 0 HG23 VAL A 827 1.701 -7.366 14.016 1.00 0.56 H new ATOM 834 N LEU A 828 2.362 -8.254 9.071 1.00 0.26 N ATOM 835 CA LEU A 828 2.609 -9.295 8.080 1.00 0.28 C ATOM 836 C LEU A 828 4.083 -9.691 8.072 1.00 0.46 C ATOM 837 O LEU A 828 4.958 -8.860 7.828 1.00 0.60 O ATOM 838 CB LEU A 828 2.188 -8.816 6.688 1.00 0.31 C ATOM 839 CG LEU A 828 2.361 -9.845 5.568 1.00 0.45 C ATOM 840 CD1 LEU A 828 1.007 -10.275 5.026 1.00 0.66 C ATOM 841 CD2 LEU A 828 3.228 -9.278 4.455 1.00 0.81 C ATOM 0 H LEU A 828 2.309 -7.311 8.685 1.00 0.26 H new ATOM 0 HA LEU A 828 2.015 -10.169 8.348 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.141 -8.515 6.725 1.00 0.31 H new ATOM 0 HB3 LEU A 828 2.766 -7.927 6.436 1.00 0.31 H new ATOM 0 HG LEU A 828 2.860 -10.723 5.979 1.00 0.45 H new ATOM 0 HD11 LEU A 828 1.149 -11.007 4.231 1.00 0.66 H new ATOM 0 HD12 LEU A 828 0.419 -10.721 5.828 1.00 0.66 H new ATOM 0 HD13 LEU A 828 0.481 -9.406 4.630 1.00 0.66 H new ATOM 0 HD21 LEU A 828 3.341 -10.022 3.667 1.00 0.81 H new ATOM 0 HD22 LEU A 828 2.756 -8.385 4.046 1.00 0.81 H new ATOM 0 HD23 LEU A 828 4.209 -9.020 4.854 1.00 0.81 H new ATOM 853 N GLY A 829 4.350 -10.965 8.344 1.00 0.58 N ATOM 854 CA GLY A 829 5.717 -11.450 8.367 1.00 0.81 C ATOM 855 C GLY A 829 6.355 -11.462 6.991 1.00 0.49 C ATOM 856 O GLY A 829 7.222 -10.640 6.695 1.00 0.45 O ATOM 0 H GLY A 829 3.642 -11.670 8.549 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.310 -10.823 9.033 1.00 0.81 H new ATOM 0 HA3 GLY A 829 5.734 -12.459 8.780 1.00 0.81 H new ATOM 860 N SER A 830 5.925 -12.400 6.151 1.00 0.35 N ATOM 861 CA SER A 830 6.460 -12.520 4.800 1.00 0.23 C ATOM 862 C SER A 830 5.596 -13.462 3.964 1.00 0.19 C ATOM 863 O SER A 830 4.367 -13.398 4.020 1.00 0.20 O ATOM 864 CB SER A 830 7.906 -13.022 4.846 1.00 0.45 C ATOM 865 OG SER A 830 8.684 -12.432 3.821 1.00 1.31 O ATOM 0 H SER A 830 5.208 -13.087 6.383 1.00 0.35 H new ATOM 0 HA SER A 830 6.447 -11.535 4.333 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.343 -12.791 5.817 1.00 0.45 H new ATOM 0 HB3 SER A 830 7.921 -14.107 4.739 1.00 0.45 H new ATOM 0 HG SER A 830 8.093 -12.007 3.165 1.00 1.31 H new ATOM 871 N ASP A 831 6.236 -14.338 3.191 1.00 0.18 N ATOM 872 CA ASP A 831 5.514 -15.289 2.353 1.00 0.18 C ATOM 873 C ASP A 831 4.620 -16.188 3.200 1.00 0.17 C ATOM 874 O ASP A 831 3.716 -16.845 2.681 1.00 0.22 O ATOM 875 CB ASP A 831 6.499 -16.141 1.549 1.00 0.23 C ATOM 876 CG ASP A 831 7.462 -16.904 2.438 1.00 1.33 C ATOM 877 OD1 ASP A 831 8.372 -16.268 3.011 1.00 2.20 O ATOM 878 OD2 ASP A 831 7.308 -18.137 2.560 1.00 1.77 O ATOM 0 H ASP A 831 7.252 -14.408 3.129 1.00 0.18 H new ATOM 0 HA ASP A 831 4.885 -14.726 1.664 1.00 0.18 H new ATOM 0 HB2 ASP A 831 5.944 -16.846 0.930 1.00 0.23 H new ATOM 0 HB3 ASP A 831 7.064 -15.499 0.873 1.00 0.23 H new ATOM 883 N GLU A 832 4.876 -16.212 4.505 1.00 0.18 N ATOM 884 CA GLU A 832 4.093 -17.029 5.425 1.00 0.21 C ATOM 885 C GLU A 832 2.726 -16.406 5.673 1.00 0.19 C ATOM 886 O GLU A 832 1.706 -16.922 5.220 1.00 0.19 O ATOM 887 CB GLU A 832 4.836 -17.202 6.751 1.00 0.26 C ATOM 888 CG GLU A 832 5.922 -18.262 6.707 1.00 0.92 C ATOM 889 CD GLU A 832 6.746 -18.301 7.979 1.00 1.41 C ATOM 890 OE1 GLU A 832 6.178 -18.616 9.045 1.00 1.63 O ATOM 891 OE2 GLU A 832 7.960 -18.017 7.907 1.00 2.21 O ATOM 0 H GLU A 832 5.620 -15.674 4.949 1.00 0.18 H new ATOM 0 HA GLU A 832 3.950 -18.009 4.969 1.00 0.21 H new ATOM 0 HB2 GLU A 832 5.282 -16.249 7.035 1.00 0.26 H new ATOM 0 HB3 GLU A 832 4.118 -17.462 7.529 1.00 0.26 H new ATOM 0 HG2 GLU A 832 5.466 -19.238 6.543 1.00 0.92 H new ATOM 0 HG3 GLU A 832 6.578 -18.070 5.858 1.00 0.92 H new ATOM 898 N ASP A 833 2.712 -15.288 6.392 1.00 0.19 N ATOM 899 CA ASP A 833 1.468 -14.593 6.696 1.00 0.19 C ATOM 900 C ASP A 833 0.783 -14.126 5.420 1.00 0.18 C ATOM 901 O ASP A 833 -0.377 -13.724 5.446 1.00 0.18 O ATOM 902 CB ASP A 833 1.732 -13.402 7.617 1.00 0.22 C ATOM 903 CG ASP A 833 2.188 -13.827 9.000 1.00 0.41 C ATOM 904 OD1 ASP A 833 1.329 -14.246 9.806 1.00 0.73 O ATOM 905 OD2 ASP A 833 3.402 -13.743 9.276 1.00 0.73 O ATOM 0 H ASP A 833 3.548 -14.845 6.774 1.00 0.19 H new ATOM 0 HA ASP A 833 0.806 -15.292 7.207 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.491 -12.761 7.169 1.00 0.22 H new ATOM 0 HB3 ASP A 833 0.823 -12.806 7.705 1.00 0.22 H new ATOM 910 N TRP A 834 1.500 -14.192 4.303 1.00 0.17 N ATOM 911 CA TRP A 834 0.938 -13.785 3.022 1.00 0.17 C ATOM 912 C TRP A 834 0.144 -14.931 2.409 1.00 0.17 C ATOM 913 O TRP A 834 -0.937 -14.727 1.859 1.00 0.19 O ATOM 914 CB TRP A 834 2.039 -13.325 2.063 1.00 0.19 C ATOM 915 CG TRP A 834 1.522 -12.764 0.766 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.124 -12.856 -0.457 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.307 -12.023 0.557 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.368 -12.219 -1.411 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.246 -11.704 -0.814 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.734 -11.599 1.392 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.812 -10.984 -1.366 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.781 -10.885 0.844 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.814 -10.586 -0.524 1.00 0.26 C ATOM 0 H TRP A 834 2.464 -14.521 4.259 1.00 0.17 H new ATOM 0 HA TRP A 834 0.267 -12.944 3.194 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.646 -12.568 2.559 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.695 -14.168 1.847 1.00 0.19 H new ATOM 0 HD1 TRP A 834 3.061 -13.358 -0.647 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.603 -12.142 -2.401 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.718 -11.827 2.448 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.840 -10.749 -2.420 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.587 -10.552 1.480 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.649 -10.029 -0.923 1.00 0.26 H new ATOM 934 N ASN A 835 0.681 -16.141 2.527 1.00 0.18 N ATOM 935 CA ASN A 835 0.016 -17.327 2.002 1.00 0.20 C ATOM 936 C ASN A 835 -1.237 -17.626 2.816 1.00 0.20 C ATOM 937 O ASN A 835 -2.251 -18.075 2.280 1.00 0.23 O ATOM 938 CB ASN A 835 0.969 -18.528 2.028 1.00 0.23 C ATOM 939 CG ASN A 835 0.621 -19.538 3.106 1.00 1.38 C ATOM 940 OD1 ASN A 835 -0.280 -20.361 2.934 1.00 1.90 O ATOM 941 ND2 ASN A 835 1.337 -19.485 4.221 1.00 1.98 N ATOM 0 H ASN A 835 1.575 -16.326 2.982 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.274 -17.139 0.968 1.00 0.20 H new ATOM 0 HB2 ASN A 835 0.950 -19.021 1.056 1.00 0.23 H new ATOM 0 HB3 ASN A 835 1.988 -18.173 2.185 1.00 0.23 H new ATOM 0 HD21 ASN A 835 1.151 -20.142 4.978 1.00 1.98 H new ATOM 0 HD22 ASN A 835 2.074 -18.787 4.321 1.00 1.98 H new ATOM 948 N VAL A 836 -1.155 -17.358 4.114 1.00 0.20 N ATOM 949 CA VAL A 836 -2.277 -17.580 5.016 1.00 0.22 C ATOM 950 C VAL A 836 -3.331 -16.503 4.815 1.00 0.22 C ATOM 951 O VAL A 836 -4.499 -16.803 4.573 1.00 0.27 O ATOM 952 CB VAL A 836 -1.830 -17.586 6.492 1.00 0.24 C ATOM 953 CG1 VAL A 836 -2.954 -18.088 7.388 1.00 0.67 C ATOM 954 CG2 VAL A 836 -0.579 -18.433 6.670 1.00 0.62 C ATOM 0 H VAL A 836 -0.320 -16.985 4.566 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.696 -18.559 4.781 1.00 0.22 H new ATOM 0 HB VAL A 836 -1.592 -16.563 6.784 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -2.621 -18.085 8.426 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -3.821 -17.436 7.284 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.226 -19.103 7.097 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -0.280 -18.424 7.718 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -0.786 -19.457 6.360 1.00 0.62 H new ATOM 0 HG23 VAL A 836 0.227 -18.025 6.059 1.00 0.62 H new ATOM 964 N ALA A 837 -2.906 -15.242 4.902 1.00 0.20 N ATOM 965 CA ALA A 837 -3.819 -14.121 4.709 1.00 0.20 C ATOM 966 C ALA A 837 -4.500 -14.216 3.350 1.00 0.20 C ATOM 967 O ALA A 837 -5.613 -13.728 3.166 1.00 0.21 O ATOM 968 CB ALA A 837 -3.082 -12.797 4.837 1.00 0.22 C ATOM 0 H ALA A 837 -1.942 -14.975 5.103 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.582 -14.167 5.486 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -3.782 -11.975 4.689 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.638 -12.722 5.830 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.296 -12.744 4.084 1.00 0.22 H new ATOM 974 N LYS A 838 -3.822 -14.860 2.401 1.00 0.21 N ATOM 975 CA LYS A 838 -4.369 -15.026 1.058 1.00 0.24 C ATOM 976 C LYS A 838 -5.564 -15.971 1.086 1.00 0.24 C ATOM 977 O LYS A 838 -6.618 -15.671 0.527 1.00 0.26 O ATOM 978 CB LYS A 838 -3.298 -15.560 0.103 1.00 0.28 C ATOM 979 CG LYS A 838 -2.628 -14.474 -0.725 1.00 0.38 C ATOM 980 CD LYS A 838 -1.659 -15.059 -1.739 1.00 0.49 C ATOM 981 CE LYS A 838 -0.393 -15.571 -1.069 1.00 0.68 C ATOM 982 NZ LYS A 838 0.358 -16.510 -1.946 1.00 0.85 N ATOM 0 H LYS A 838 -2.899 -15.272 2.537 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.700 -14.051 0.699 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.538 -16.087 0.680 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -3.752 -16.290 -0.568 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -3.389 -13.890 -1.243 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -2.095 -13.790 -0.065 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -2.142 -15.874 -2.277 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -1.400 -14.299 -2.477 1.00 0.49 H new ATOM 0 HE2 LYS A 838 0.246 -14.728 -0.808 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -0.653 -16.074 -0.137 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 1.037 -17.052 -1.374 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -0.308 -17.164 -2.405 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 0.870 -15.971 -2.673 1.00 0.85 H new ATOM 996 N GLU A 839 -5.395 -17.110 1.753 1.00 0.26 N ATOM 997 CA GLU A 839 -6.466 -18.094 1.866 1.00 0.29 C ATOM 998 C GLU A 839 -7.659 -17.494 2.601 1.00 0.27 C ATOM 999 O GLU A 839 -8.799 -17.918 2.413 1.00 0.31 O ATOM 1000 CB GLU A 839 -5.970 -19.342 2.602 1.00 0.34 C ATOM 1001 CG GLU A 839 -6.236 -20.636 1.850 1.00 0.71 C ATOM 1002 CD GLU A 839 -7.601 -21.217 2.156 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -7.787 -21.748 3.270 1.00 1.82 O ATOM 1004 OE2 GLU A 839 -8.488 -21.143 1.279 1.00 1.95 O ATOM 0 H GLU A 839 -4.528 -17.373 2.222 1.00 0.26 H new ATOM 0 HA GLU A 839 -6.778 -18.381 0.862 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -4.899 -19.248 2.779 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -6.451 -19.393 3.579 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -6.155 -20.453 0.779 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -5.468 -21.366 2.107 1.00 0.71 H new ATOM 1011 N MET A 840 -7.382 -16.494 3.435 1.00 0.25 N ATOM 1012 CA MET A 840 -8.423 -15.816 4.198 1.00 0.24 C ATOM 1013 C MET A 840 -9.252 -14.922 3.282 1.00 0.24 C ATOM 1014 O MET A 840 -10.461 -14.774 3.465 1.00 0.27 O ATOM 1015 CB MET A 840 -7.790 -14.990 5.326 1.00 0.24 C ATOM 1016 CG MET A 840 -8.612 -13.781 5.751 1.00 0.26 C ATOM 1017 SD MET A 840 -7.630 -12.556 6.639 1.00 0.30 S ATOM 1018 CE MET A 840 -7.053 -11.532 5.286 1.00 0.27 C ATOM 0 H MET A 840 -6.441 -16.136 3.599 1.00 0.25 H new ATOM 0 HA MET A 840 -9.083 -16.563 4.639 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.638 -15.635 6.192 1.00 0.24 H new ATOM 0 HB3 MET A 840 -6.805 -14.651 5.004 1.00 0.24 H new ATOM 0 HG2 MET A 840 -9.054 -13.318 4.869 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.436 -14.110 6.384 1.00 0.26 H new ATOM 0 HE1 MET A 840 -6.914 -10.510 5.637 1.00 0.27 H new ATOM 0 HE2 MET A 840 -6.105 -11.920 4.915 1.00 0.27 H new ATOM 0 HE3 MET A 840 -7.789 -11.542 4.482 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.588 -14.331 2.294 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.252 -13.454 1.341 1.00 0.24 C ATOM 1030 C LEU A 841 -10.212 -14.245 0.461 1.00 0.24 C ATOM 1031 O LEU A 841 -11.380 -13.882 0.316 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.216 -12.743 0.472 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.567 -11.518 1.113 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.138 -11.351 0.618 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.384 -10.270 0.818 1.00 0.38 C ATOM 0 H LEU A 841 -7.587 -14.445 2.134 1.00 0.22 H new ATOM 0 HA LEU A 841 -9.823 -12.711 1.898 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.433 -13.455 0.210 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -8.693 -12.437 -0.459 1.00 0.26 H new ATOM 0 HG LEU A 841 -7.541 -11.666 2.193 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -5.691 -10.473 1.085 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.557 -12.236 0.878 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.140 -11.224 -0.465 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -7.908 -9.406 1.282 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -8.440 -10.118 -0.260 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.390 -10.390 1.221 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.713 -15.328 -0.121 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.523 -16.175 -0.986 1.00 0.35 C ATOM 1049 C ALA A 842 -11.433 -17.084 -0.173 1.00 0.36 C ATOM 1050 O ALA A 842 -12.231 -17.836 -0.733 1.00 0.49 O ATOM 1051 CB ALA A 842 -9.634 -17.001 -1.898 1.00 0.49 C ATOM 0 H ALA A 842 -8.749 -15.641 -0.009 1.00 0.30 H new ATOM 0 HA ALA A 842 -11.152 -15.527 -1.596 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -10.253 -17.629 -2.539 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -9.030 -16.337 -2.516 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -8.980 -17.631 -1.295 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.319 -17.004 1.149 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.146 -17.817 2.034 1.00 0.42 C ATOM 1059 C GLU A 843 -13.618 -17.460 1.855 1.00 0.53 C ATOM 1060 O GLU A 843 -14.499 -18.091 2.439 1.00 0.69 O ATOM 1061 CB GLU A 843 -11.732 -17.610 3.492 1.00 0.45 C ATOM 1062 CG GLU A 843 -12.036 -18.800 4.388 1.00 0.57 C ATOM 1063 CD GLU A 843 -11.627 -18.564 5.829 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -10.453 -18.210 6.062 1.00 1.68 O ATOM 1065 OE2 GLU A 843 -12.483 -18.733 6.722 1.00 1.36 O ATOM 0 H GLU A 843 -10.665 -16.387 1.630 1.00 0.34 H new ATOM 0 HA GLU A 843 -12.002 -18.866 1.775 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -10.663 -17.401 3.531 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -12.243 -16.731 3.884 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -13.103 -19.017 4.348 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -11.517 -19.679 4.006 1.00 0.57 H new ATOM 1072 N ASN A 844 -13.868 -16.440 1.036 1.00 0.54 N ATOM 1073 CA ASN A 844 -15.226 -15.984 0.761 1.00 0.77 C ATOM 1074 C ASN A 844 -15.332 -15.446 -0.663 1.00 0.81 C ATOM 1075 O ASN A 844 -15.940 -16.074 -1.529 1.00 1.48 O ATOM 1076 CB ASN A 844 -15.640 -14.898 1.758 1.00 0.89 C ATOM 1077 CG ASN A 844 -15.164 -15.188 3.168 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -14.080 -14.764 3.569 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -15.974 -15.915 3.928 1.00 1.05 N ATOM 0 H ASN A 844 -13.143 -15.913 0.550 1.00 0.54 H new ATOM 0 HA ASN A 844 -15.898 -16.836 0.867 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -15.237 -13.939 1.433 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -16.726 -14.804 1.757 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -15.707 -16.143 4.886 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -16.864 -16.246 3.554 1.00 1.05 H new ATOM 1086 N ASN A 845 -14.726 -14.282 -0.892 1.00 0.49 N ATOM 1087 CA ASN A 845 -14.740 -13.642 -2.206 1.00 0.56 C ATOM 1088 C ASN A 845 -14.025 -12.294 -2.158 1.00 0.48 C ATOM 1089 O ASN A 845 -14.363 -11.375 -2.904 1.00 0.57 O ATOM 1090 CB ASN A 845 -16.177 -13.445 -2.693 1.00 0.73 C ATOM 1091 CG ASN A 845 -16.365 -13.878 -4.133 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -16.489 -13.046 -5.032 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -16.386 -15.187 -4.360 1.00 1.97 N ATOM 0 H ASN A 845 -14.216 -13.760 -0.179 1.00 0.49 H new ATOM 0 HA ASN A 845 -14.215 -14.295 -2.903 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -16.855 -14.012 -2.055 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -16.450 -12.394 -2.594 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -16.509 -15.538 -5.310 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -16.279 -15.841 -3.584 1.00 1.97 H new ATOM 1100 N GLU A 846 -13.039 -12.184 -1.273 1.00 0.35 N ATOM 1101 CA GLU A 846 -12.283 -10.946 -1.122 1.00 0.31 C ATOM 1102 C GLU A 846 -10.991 -10.984 -1.931 1.00 0.30 C ATOM 1103 O GLU A 846 -10.329 -12.019 -2.016 1.00 0.49 O ATOM 1104 CB GLU A 846 -11.963 -10.700 0.353 1.00 0.33 C ATOM 1105 CG GLU A 846 -12.847 -9.649 1.001 1.00 0.44 C ATOM 1106 CD GLU A 846 -13.623 -10.189 2.186 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -14.266 -11.250 2.042 1.00 1.69 O ATOM 1108 OE2 GLU A 846 -13.589 -9.549 3.258 1.00 2.30 O ATOM 0 H GLU A 846 -12.745 -12.937 -0.650 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.899 -10.130 -1.500 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -12.067 -11.637 0.900 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -10.921 -10.392 0.443 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -12.230 -8.812 1.327 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -13.546 -9.261 0.260 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.636 -9.845 -2.516 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.420 -9.735 -3.314 1.00 0.31 C ATOM 1117 C LYS A 847 -8.678 -8.442 -2.989 1.00 0.36 C ATOM 1118 O LYS A 847 -7.581 -8.201 -3.492 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.755 -9.784 -4.806 1.00 0.38 C ATOM 1120 CG LYS A 847 -10.636 -10.961 -5.193 1.00 0.69 C ATOM 1121 CD LYS A 847 -10.344 -11.437 -6.606 1.00 0.97 C ATOM 1122 CE LYS A 847 -11.623 -11.623 -7.404 1.00 1.32 C ATOM 1123 NZ LYS A 847 -12.338 -10.333 -7.616 1.00 1.98 N ATOM 0 H LYS A 847 -11.175 -8.982 -2.452 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.775 -10.578 -3.069 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -10.256 -8.858 -5.088 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -8.828 -9.832 -5.377 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -10.478 -11.781 -4.492 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -11.684 -10.673 -5.115 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -9.701 -10.715 -7.109 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -9.797 -12.379 -6.568 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -11.387 -12.070 -8.370 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -12.279 -12.320 -6.882 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -12.942 -10.405 -8.460 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -12.927 -10.122 -6.786 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -11.645 -9.570 -7.751 1.00 1.98 H new ATOM 1137 N PHE A 848 -9.289 -7.617 -2.144 1.00 0.32 N ATOM 1138 CA PHE A 848 -8.691 -6.347 -1.747 1.00 0.37 C ATOM 1139 C PHE A 848 -7.851 -6.512 -0.485 1.00 0.30 C ATOM 1140 O PHE A 848 -8.266 -7.175 0.466 1.00 0.39 O ATOM 1141 CB PHE A 848 -9.779 -5.298 -1.511 1.00 0.50 C ATOM 1142 CG PHE A 848 -10.499 -4.883 -2.762 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -9.820 -4.245 -3.787 1.00 0.92 C ATOM 1144 CD2 PHE A 848 -11.854 -5.131 -2.915 1.00 0.82 C ATOM 1145 CE1 PHE A 848 -10.477 -3.862 -4.939 1.00 1.09 C ATOM 1146 CE2 PHE A 848 -12.517 -4.752 -4.064 1.00 1.02 C ATOM 1147 CZ PHE A 848 -11.834 -4.112 -5.074 1.00 0.98 C ATOM 0 H PHE A 848 -10.198 -7.805 -1.721 1.00 0.32 H new ATOM 0 HA PHE A 848 -8.041 -6.013 -2.556 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -10.504 -5.693 -0.799 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -9.329 -4.418 -1.052 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -8.764 -4.045 -3.684 1.00 0.92 H new ATOM 0 HD2 PHE A 848 -12.398 -5.627 -2.125 1.00 0.82 H new ATOM 0 HE1 PHE A 848 -9.936 -3.369 -5.733 1.00 1.09 H new ATOM 0 HE2 PHE A 848 -13.572 -4.957 -4.171 1.00 1.02 H new ATOM 0 HZ PHE A 848 -12.354 -3.805 -5.969 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.669 -5.904 -0.483 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.769 -5.986 0.664 1.00 0.23 C ATOM 1159 C LEU A 849 -5.302 -4.597 1.098 1.00 0.24 C ATOM 1160 O LEU A 849 -4.744 -3.843 0.300 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.563 -6.868 0.322 1.00 0.26 C ATOM 1162 CG LEU A 849 -4.024 -7.738 1.466 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -3.101 -6.931 2.363 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -5.161 -8.345 2.279 1.00 0.74 C ATOM 0 H LEU A 849 -6.312 -5.350 -1.261 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.315 -6.433 1.495 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.838 -7.521 -0.507 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.756 -6.226 -0.032 1.00 0.26 H new ATOM 0 HG LEU A 849 -3.453 -8.554 1.024 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -2.729 -7.565 3.168 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -2.261 -6.557 1.778 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -3.650 -6.090 2.788 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -4.748 -8.956 3.082 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -5.769 -7.547 2.706 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.780 -8.966 1.632 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.536 -4.271 2.368 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.142 -2.975 2.919 1.00 0.29 C ATOM 1178 C ASN A 850 -3.694 -3.005 3.394 1.00 0.30 C ATOM 1179 O ASN A 850 -3.079 -4.069 3.471 1.00 0.43 O ATOM 1180 CB ASN A 850 -6.059 -2.586 4.078 1.00 0.37 C ATOM 1181 CG ASN A 850 -7.071 -1.527 3.687 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -6.967 -0.917 2.623 1.00 1.52 O ATOM 1183 ND2 ASN A 850 -8.055 -1.303 4.550 1.00 0.92 N ATOM 0 H ASN A 850 -5.998 -4.888 3.036 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.234 -2.231 2.127 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -6.584 -3.472 4.435 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -5.455 -2.218 4.907 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -8.765 -0.601 4.343 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -8.101 -1.833 5.420 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.149 -1.832 3.708 1.00 0.31 N ATOM 1191 CA ILE A 851 -1.767 -1.733 4.169 1.00 0.36 C ATOM 1192 C ILE A 851 -1.647 -0.819 5.388 1.00 0.53 C ATOM 1193 O ILE A 851 -2.605 -0.141 5.760 1.00 0.71 O ATOM 1194 CB ILE A 851 -0.842 -1.226 3.053 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.306 -1.796 1.717 1.00 0.54 C ATOM 1196 CG2 ILE A 851 0.607 -1.592 3.332 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -0.660 -3.112 1.329 1.00 1.04 C ATOM 0 H ILE A 851 -3.641 -0.940 3.652 1.00 0.31 H new ATOM 0 HA ILE A 851 -1.457 -2.738 4.455 1.00 0.36 H new ATOM 0 HB ILE A 851 -0.895 -0.138 3.014 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -2.387 -1.934 1.752 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -1.104 -1.064 0.935 1.00 0.54 H new ATOM 0 HG21 ILE A 851 1.238 -1.220 2.525 1.00 0.53 H new ATOM 0 HG22 ILE A 851 0.921 -1.143 4.274 1.00 0.53 H new ATOM 0 HG23 ILE A 851 0.702 -2.676 3.397 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -1.051 -3.439 0.366 1.00 1.04 H new ATOM 0 HD12 ILE A 851 0.420 -2.980 1.256 1.00 1.04 H new ATOM 0 HD13 ILE A 851 -0.883 -3.864 2.086 1.00 1.04 H new