USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 632 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 81 SER OG : rot 180:sc= 0.0152 USER MOD Set 1.2: A 84 GLN : amide:sc= -1.81 K(o=-1.8,f=0.015) USER MOD Set 2.1: A 72 ASN : amide:sc= 0.077 K(o=-0.36,f=-6.8!) USER MOD Set 2.2: A 75 LYS NZ :NH3+ 146:sc= -0.438 (180deg=-0.927) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -162:sc= -0.0967 (180deg=-0.453) USER MOD Single : A 16 SER OG : rot -83:sc= 0.0312 USER MOD Single : A 20 GLN : amide:sc= -0.763 K(o=-0.76,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -137:sc= -0.629 (180deg=-3.01!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.794 K(o=0.79,f=-1.9) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -162:sc= -0.0255 (180deg=-0.228) USER MOD Single : A 44 MET CE :methyl 162:sc= -0.0838 (180deg=-0.48) USER MOD Single : A 46 THR OG1 : rot 47:sc= -0.112 USER MOD Single : A 51 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.9) USER MOD Single : A 52 ASN : amide:sc= -2.69! K(o=-2.7!,f=-0.3) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -6.21! K(o=-6.2!,f=-0.37) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.87 USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 77 THR OG1 : rot 160:sc= -0.15 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.12) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N ASP A 6 14.681 12.239 -2.839 1.00 0.94 N ATOM 63 CA ASP A 6 13.423 11.518 -2.773 1.00 0.82 C ATOM 64 C ASP A 6 12.248 12.490 -2.680 1.00 0.72 C ATOM 65 O ASP A 6 11.629 12.659 -1.633 1.00 0.76 O ATOM 66 CB ASP A 6 13.425 10.539 -1.590 1.00 0.88 C ATOM 67 CG ASP A 6 13.822 11.174 -0.266 1.00 1.03 C ATOM 68 OD1 ASP A 6 12.961 11.272 0.639 1.00 1.40 O ATOM 69 OD2 ASP A 6 14.978 11.610 -0.137 1.00 1.79 O ATOM 0 HA ASP A 6 13.308 10.940 -3.690 1.00 0.82 H new ATOM 0 HB2 ASP A 6 12.431 10.104 -1.489 1.00 0.88 H new ATOM 0 HB3 ASP A 6 14.111 9.721 -1.809 1.00 0.88 H new ATOM 74 N SER A 7 11.960 13.137 -3.796 1.00 0.68 N ATOM 75 CA SER A 7 10.866 14.085 -3.872 1.00 0.67 C ATOM 76 C SER A 7 9.527 13.351 -3.845 1.00 0.53 C ATOM 77 O SER A 7 9.323 12.405 -4.605 1.00 0.46 O ATOM 78 CB SER A 7 11.004 14.909 -5.146 1.00 0.77 C ATOM 79 OG SER A 7 12.331 15.398 -5.278 1.00 1.33 O ATOM 0 H SER A 7 12.475 13.020 -4.669 1.00 0.68 H new ATOM 0 HA SER A 7 10.901 14.752 -3.011 1.00 0.67 H new ATOM 0 HB2 SER A 7 10.747 14.298 -6.011 1.00 0.77 H new ATOM 0 HB3 SER A 7 10.303 15.743 -5.125 1.00 0.77 H new ATOM 0 HG SER A 7 12.405 15.924 -6.102 1.00 1.33 H new ATOM 85 N GLN A 8 8.629 13.804 -2.975 1.00 0.53 N ATOM 86 CA GLN A 8 7.391 13.086 -2.656 1.00 0.47 C ATOM 87 C GLN A 8 6.632 12.612 -3.894 1.00 0.48 C ATOM 88 O GLN A 8 6.218 11.450 -3.969 1.00 0.50 O ATOM 89 CB GLN A 8 6.478 13.980 -1.819 1.00 0.53 C ATOM 90 CG GLN A 8 7.058 14.346 -0.465 1.00 0.86 C ATOM 91 CD GLN A 8 6.213 15.362 0.274 1.00 1.25 C ATOM 92 OE1 GLN A 8 6.413 16.568 0.142 1.00 1.88 O ATOM 93 NE2 GLN A 8 5.263 14.881 1.057 1.00 1.57 N ATOM 0 H GLN A 8 8.736 14.682 -2.468 1.00 0.53 H new ATOM 0 HA GLN A 8 7.682 12.196 -2.097 1.00 0.47 H new ATOM 0 HB2 GLN A 8 6.270 14.894 -2.375 1.00 0.53 H new ATOM 0 HB3 GLN A 8 5.524 13.473 -1.671 1.00 0.53 H new ATOM 0 HG2 GLN A 8 7.151 13.445 0.142 1.00 0.86 H new ATOM 0 HG3 GLN A 8 8.064 14.744 -0.600 1.00 0.86 H new ATOM 0 HE21 GLN A 8 5.131 13.873 1.138 1.00 1.57 H new ATOM 0 HE22 GLN A 8 4.662 15.518 1.580 1.00 1.57 H new ATOM 102 N GLU A 9 6.458 13.501 -4.861 1.00 0.54 N ATOM 103 CA GLU A 9 5.693 13.180 -6.059 1.00 0.59 C ATOM 104 C GLU A 9 6.410 12.138 -6.910 1.00 0.51 C ATOM 105 O GLU A 9 5.780 11.238 -7.467 1.00 0.50 O ATOM 106 CB GLU A 9 5.427 14.441 -6.876 1.00 0.73 C ATOM 107 CG GLU A 9 4.520 15.434 -6.167 1.00 1.34 C ATOM 108 CD GLU A 9 3.177 14.832 -5.805 1.00 1.57 C ATOM 109 OE1 GLU A 9 2.267 14.838 -6.660 1.00 1.45 O ATOM 110 OE2 GLU A 9 3.024 14.358 -4.660 1.00 2.17 O ATOM 0 H GLU A 9 6.835 14.449 -4.841 1.00 0.54 H new ATOM 0 HA GLU A 9 4.739 12.758 -5.743 1.00 0.59 H new ATOM 0 HB2 GLU A 9 6.377 14.925 -7.104 1.00 0.73 H new ATOM 0 HB3 GLU A 9 4.975 14.161 -7.827 1.00 0.73 H new ATOM 0 HG2 GLU A 9 5.012 15.789 -5.262 1.00 1.34 H new ATOM 0 HG3 GLU A 9 4.365 16.302 -6.807 1.00 1.34 H new ATOM 117 N LYS A 10 7.726 12.254 -6.999 1.00 0.50 N ATOM 118 CA LYS A 10 8.522 11.303 -7.760 1.00 0.48 C ATOM 119 C LYS A 10 8.553 9.947 -7.059 1.00 0.38 C ATOM 120 O LYS A 10 8.528 8.904 -7.709 1.00 0.38 O ATOM 121 CB LYS A 10 9.941 11.839 -7.961 1.00 0.58 C ATOM 122 CG LYS A 10 10.852 10.921 -8.764 1.00 0.75 C ATOM 123 CD LYS A 10 10.368 10.762 -10.197 1.00 1.63 C ATOM 124 CE LYS A 10 11.351 9.957 -11.035 1.00 2.14 C ATOM 125 NZ LYS A 10 12.696 10.594 -11.079 1.00 2.55 N ATOM 0 H LYS A 10 8.265 12.997 -6.554 1.00 0.50 H new ATOM 0 HA LYS A 10 8.061 11.170 -8.739 1.00 0.48 H new ATOM 0 HB2 LYS A 10 9.884 12.804 -8.464 1.00 0.58 H new ATOM 0 HB3 LYS A 10 10.392 12.014 -6.984 1.00 0.58 H new ATOM 0 HG2 LYS A 10 11.865 11.323 -8.765 1.00 0.75 H new ATOM 0 HG3 LYS A 10 10.898 9.943 -8.285 1.00 0.75 H new ATOM 0 HD2 LYS A 10 9.396 10.268 -10.201 1.00 1.63 H new ATOM 0 HD3 LYS A 10 10.227 11.746 -10.645 1.00 1.63 H new ATOM 0 HE2 LYS A 10 11.439 8.951 -10.624 1.00 2.14 H new ATOM 0 HE3 LYS A 10 10.965 9.855 -12.049 1.00 2.14 H new ATOM 0 HZ1 LYS A 10 13.238 10.207 -11.878 1.00 2.55 H new ATOM 0 HZ2 LYS A 10 12.590 11.622 -11.199 1.00 2.55 H new ATOM 0 HZ3 LYS A 10 13.202 10.399 -10.191 1.00 2.55 H new ATOM 139 N VAL A 11 8.590 9.974 -5.729 1.00 0.34 N ATOM 140 CA VAL A 11 8.576 8.752 -4.933 1.00 0.30 C ATOM 141 C VAL A 11 7.331 7.923 -5.235 1.00 0.27 C ATOM 142 O VAL A 11 7.409 6.707 -5.366 1.00 0.31 O ATOM 143 CB VAL A 11 8.638 9.059 -3.417 1.00 0.31 C ATOM 144 CG1 VAL A 11 8.499 7.786 -2.595 1.00 0.39 C ATOM 145 CG2 VAL A 11 9.936 9.767 -3.065 1.00 0.37 C ATOM 0 H VAL A 11 8.630 10.832 -5.179 1.00 0.34 H new ATOM 0 HA VAL A 11 9.464 8.181 -5.206 1.00 0.30 H new ATOM 0 HB VAL A 11 7.803 9.717 -3.177 1.00 0.31 H new ATOM 0 HG11 VAL A 11 8.546 8.031 -1.534 1.00 0.39 H new ATOM 0 HG12 VAL A 11 7.542 7.313 -2.816 1.00 0.39 H new ATOM 0 HG13 VAL A 11 9.309 7.101 -2.845 1.00 0.39 H new ATOM 0 HG21 VAL A 11 9.959 9.974 -1.995 1.00 0.37 H new ATOM 0 HG22 VAL A 11 10.781 9.131 -3.330 1.00 0.37 H new ATOM 0 HG23 VAL A 11 10.000 10.705 -3.617 1.00 0.37 H new ATOM 149 N ALA A 12 6.191 8.592 -5.370 1.00 0.26 N ATOM 150 CA ALA A 12 4.933 7.913 -5.665 1.00 0.27 C ATOM 151 C ALA A 12 5.037 7.094 -6.948 1.00 0.26 C ATOM 152 O ALA A 12 4.597 5.942 -7.005 1.00 0.31 O ATOM 153 CB ALA A 12 3.803 8.922 -5.774 1.00 0.35 C ATOM 0 H ALA A 12 6.112 9.605 -5.280 1.00 0.26 H new ATOM 0 HA ALA A 12 4.718 7.229 -4.844 1.00 0.27 H new ATOM 0 HB1 ALA A 12 2.871 8.402 -5.994 1.00 0.35 H new ATOM 0 HB2 ALA A 12 3.704 9.461 -4.832 1.00 0.35 H new ATOM 0 HB3 ALA A 12 4.022 9.629 -6.575 1.00 0.35 H new ATOM 159 N ASP A 13 5.636 7.690 -7.971 1.00 0.26 N ATOM 160 CA ASP A 13 5.825 7.013 -9.249 1.00 0.32 C ATOM 161 C ASP A 13 6.861 5.904 -9.109 1.00 0.30 C ATOM 162 O ASP A 13 6.761 4.858 -9.748 1.00 0.42 O ATOM 163 CB ASP A 13 6.271 8.007 -10.324 1.00 0.39 C ATOM 164 CG ASP A 13 6.258 7.399 -11.715 1.00 0.59 C ATOM 165 OD1 ASP A 13 5.163 7.060 -12.207 1.00 0.86 O ATOM 166 OD2 ASP A 13 7.346 7.249 -12.316 1.00 0.67 O ATOM 0 H ASP A 13 6.000 8.642 -7.941 1.00 0.26 H new ATOM 0 HA ASP A 13 4.873 6.576 -9.550 1.00 0.32 H new ATOM 0 HB2 ASP A 13 5.615 8.877 -10.305 1.00 0.39 H new ATOM 0 HB3 ASP A 13 7.276 8.360 -10.094 1.00 0.39 H new ATOM 171 N GLU A 14 7.844 6.142 -8.252 1.00 0.25 N ATOM 172 CA GLU A 14 8.905 5.179 -7.994 1.00 0.35 C ATOM 173 C GLU A 14 8.334 3.898 -7.384 1.00 0.28 C ATOM 174 O GLU A 14 8.704 2.790 -7.786 1.00 0.32 O ATOM 175 CB GLU A 14 9.943 5.801 -7.051 1.00 0.53 C ATOM 176 CG GLU A 14 11.178 4.947 -6.832 1.00 1.18 C ATOM 177 CD GLU A 14 11.982 4.750 -8.097 1.00 1.35 C ATOM 178 OE1 GLU A 14 12.597 5.726 -8.572 1.00 1.53 O ATOM 179 OE2 GLU A 14 12.008 3.619 -8.624 1.00 2.05 O ATOM 0 H GLU A 14 7.928 7.006 -7.717 1.00 0.25 H new ATOM 0 HA GLU A 14 9.385 4.920 -8.938 1.00 0.35 H new ATOM 0 HB2 GLU A 14 10.250 6.766 -7.453 1.00 0.53 H new ATOM 0 HB3 GLU A 14 9.472 5.992 -6.087 1.00 0.53 H new ATOM 0 HG2 GLU A 14 11.808 5.414 -6.075 1.00 1.18 H new ATOM 0 HG3 GLU A 14 10.878 3.974 -6.442 1.00 1.18 H new ATOM 186 N ILE A 15 7.423 4.046 -6.422 1.00 0.22 N ATOM 187 CA ILE A 15 6.815 2.885 -5.780 1.00 0.19 C ATOM 188 C ILE A 15 5.993 2.102 -6.796 1.00 0.17 C ATOM 189 O ILE A 15 6.167 0.894 -6.955 1.00 0.22 O ATOM 190 CB ILE A 15 5.868 3.246 -4.613 1.00 0.21 C ATOM 191 CG1 ILE A 15 6.373 4.437 -3.801 1.00 0.25 C ATOM 192 CG2 ILE A 15 5.699 2.038 -3.704 1.00 0.29 C ATOM 193 CD1 ILE A 15 7.630 4.162 -3.006 1.00 0.33 C ATOM 0 H ILE A 15 7.094 4.947 -6.075 1.00 0.22 H new ATOM 0 HA ILE A 15 7.646 2.303 -5.382 1.00 0.19 H new ATOM 0 HB ILE A 15 4.909 3.532 -5.044 1.00 0.21 H new ATOM 0 HG12 ILE A 15 6.561 5.270 -4.479 1.00 0.25 H new ATOM 0 HG13 ILE A 15 5.587 4.754 -3.116 1.00 0.25 H new ATOM 0 HG21 ILE A 15 5.031 2.293 -2.881 1.00 0.29 H new ATOM 0 HG22 ILE A 15 5.275 1.211 -4.273 1.00 0.29 H new ATOM 0 HG23 ILE A 15 6.670 1.744 -3.306 1.00 0.29 H new ATOM 0 HD11 ILE A 15 7.919 5.060 -2.460 1.00 0.33 H new ATOM 0 HD12 ILE A 15 7.444 3.352 -2.301 1.00 0.33 H new ATOM 0 HD13 ILE A 15 8.434 3.876 -3.684 1.00 0.33 H new ATOM 200 N SER A 16 5.119 2.813 -7.503 1.00 0.18 N ATOM 201 CA SER A 16 4.185 2.184 -8.427 1.00 0.25 C ATOM 202 C SER A 16 4.920 1.479 -9.562 1.00 0.22 C ATOM 203 O SER A 16 4.547 0.377 -9.962 1.00 0.30 O ATOM 204 CB SER A 16 3.206 3.222 -8.987 1.00 0.32 C ATOM 205 OG SER A 16 3.886 4.368 -9.467 1.00 0.30 O ATOM 0 H SER A 16 5.039 3.829 -7.452 1.00 0.18 H new ATOM 0 HA SER A 16 3.622 1.432 -7.874 1.00 0.25 H new ATOM 0 HB2 SER A 16 2.625 2.777 -9.795 1.00 0.32 H new ATOM 0 HB3 SER A 16 2.500 3.515 -8.210 1.00 0.32 H new ATOM 0 HG SER A 16 4.078 4.971 -8.719 1.00 0.30 H new ATOM 211 N PHE A 17 5.972 2.115 -10.064 1.00 0.18 N ATOM 212 CA PHE A 17 6.761 1.552 -11.150 1.00 0.24 C ATOM 213 C PHE A 17 7.404 0.231 -10.737 1.00 0.28 C ATOM 214 O PHE A 17 7.361 -0.747 -11.486 1.00 0.37 O ATOM 215 CB PHE A 17 7.837 2.548 -11.596 1.00 0.29 C ATOM 216 CG PHE A 17 8.784 1.997 -12.622 1.00 0.38 C ATOM 217 CD1 PHE A 17 10.058 1.586 -12.263 1.00 0.39 C ATOM 218 CD2 PHE A 17 8.396 1.892 -13.945 1.00 0.49 C ATOM 219 CE1 PHE A 17 10.925 1.079 -13.211 1.00 0.49 C ATOM 220 CE2 PHE A 17 9.257 1.387 -14.897 1.00 0.59 C ATOM 221 CZ PHE A 17 10.545 0.975 -14.507 1.00 0.58 C ATOM 0 H PHE A 17 6.298 3.024 -9.734 1.00 0.18 H new ATOM 0 HA PHE A 17 6.091 1.355 -11.987 1.00 0.24 H new ATOM 0 HB2 PHE A 17 7.352 3.435 -12.002 1.00 0.29 H new ATOM 0 HB3 PHE A 17 8.407 2.868 -10.724 1.00 0.29 H new ATOM 0 HD1 PHE A 17 10.375 1.663 -11.234 1.00 0.39 H new ATOM 0 HD2 PHE A 17 7.406 2.210 -14.237 1.00 0.49 H new ATOM 0 HE1 PHE A 17 11.915 0.763 -12.916 1.00 0.49 H new ATOM 0 HE2 PHE A 17 8.947 1.309 -15.929 1.00 0.59 H new ATOM 0 HZ PHE A 17 11.230 0.576 -15.241 1.00 0.58 H new ATOM 231 N ARG A 18 7.983 0.196 -9.542 1.00 0.24 N ATOM 232 CA ARG A 18 8.688 -0.994 -9.081 1.00 0.29 C ATOM 233 C ARG A 18 7.726 -2.103 -8.689 1.00 0.28 C ATOM 234 O ARG A 18 8.023 -3.285 -8.864 1.00 0.30 O ATOM 235 CB ARG A 18 9.592 -0.675 -7.889 1.00 0.37 C ATOM 236 CG ARG A 18 10.722 0.291 -8.197 1.00 0.41 C ATOM 237 CD ARG A 18 11.631 0.449 -6.992 1.00 0.57 C ATOM 238 NE ARG A 18 12.624 1.506 -7.165 1.00 1.49 N ATOM 239 CZ ARG A 18 13.815 1.513 -6.567 1.00 1.74 C ATOM 240 NH1 ARG A 18 14.222 0.445 -5.887 1.00 1.26 N ATOM 241 NH2 ARG A 18 14.611 2.571 -6.682 1.00 2.83 N ATOM 0 H ARG A 18 7.979 0.972 -8.879 1.00 0.24 H new ATOM 0 HA ARG A 18 9.298 -1.336 -9.917 1.00 0.29 H new ATOM 0 HB2 ARG A 18 8.982 -0.257 -7.088 1.00 0.37 H new ATOM 0 HB3 ARG A 18 10.018 -1.605 -7.513 1.00 0.37 H new ATOM 0 HG2 ARG A 18 11.297 -0.073 -9.048 1.00 0.41 H new ATOM 0 HG3 ARG A 18 10.312 1.261 -8.480 1.00 0.41 H new ATOM 0 HD2 ARG A 18 11.025 0.667 -6.112 1.00 0.57 H new ATOM 0 HD3 ARG A 18 12.142 -0.495 -6.802 1.00 0.57 H new ATOM 0 HE ARG A 18 12.392 2.286 -7.780 1.00 1.49 H new ATOM 0 HH11 ARG A 18 13.623 -0.378 -5.824 1.00 1.26 H new ATOM 0 HH12 ARG A 18 15.133 0.449 -5.429 1.00 1.26 H new ATOM 0 HH21 ARG A 18 14.311 3.378 -7.228 1.00 2.83 H new ATOM 0 HH22 ARG A 18 15.522 2.576 -6.224 1.00 2.83 H new ATOM 255 N LEU A 19 6.582 -1.725 -8.146 1.00 0.27 N ATOM 256 CA LEU A 19 5.613 -2.700 -7.673 1.00 0.25 C ATOM 257 C LEU A 19 4.747 -3.228 -8.798 1.00 0.28 C ATOM 258 O LEU A 19 4.069 -4.244 -8.638 1.00 0.38 O ATOM 259 CB LEU A 19 4.724 -2.099 -6.599 1.00 0.29 C ATOM 260 CG LEU A 19 5.436 -1.719 -5.311 1.00 0.35 C ATOM 261 CD1 LEU A 19 4.413 -1.385 -4.256 1.00 0.99 C ATOM 262 CD2 LEU A 19 6.345 -2.847 -4.841 1.00 0.63 C ATOM 0 H LEU A 19 6.301 -0.752 -8.022 1.00 0.27 H new ATOM 0 HA LEU A 19 6.181 -3.531 -7.255 1.00 0.25 H new ATOM 0 HB2 LEU A 19 4.241 -1.210 -7.005 1.00 0.29 H new ATOM 0 HB3 LEU A 19 3.934 -2.812 -6.363 1.00 0.29 H new ATOM 0 HG LEU A 19 6.061 -0.845 -5.494 1.00 0.35 H new ATOM 0 HD11 LEU A 19 4.920 -1.112 -3.331 1.00 0.99 H new ATOM 0 HD12 LEU A 19 3.801 -0.549 -4.594 1.00 0.99 H new ATOM 0 HD13 LEU A 19 3.777 -2.252 -4.079 1.00 0.99 H new ATOM 0 HD21 LEU A 19 6.844 -2.552 -3.918 1.00 0.63 H new ATOM 0 HD22 LEU A 19 5.750 -3.743 -4.662 1.00 0.63 H new ATOM 0 HD23 LEU A 19 7.092 -3.055 -5.607 1.00 0.63 H new ATOM 274 N GLN A 20 4.798 -2.537 -9.939 1.00 0.25 N ATOM 275 CA GLN A 20 3.874 -2.784 -11.040 1.00 0.28 C ATOM 276 C GLN A 20 2.459 -2.504 -10.550 1.00 0.28 C ATOM 277 O GLN A 20 1.491 -3.113 -11.005 1.00 0.35 O ATOM 278 CB GLN A 20 4.008 -4.219 -11.563 1.00 0.36 C ATOM 279 CG GLN A 20 5.424 -4.578 -11.989 1.00 0.88 C ATOM 280 CD GLN A 20 5.566 -6.030 -12.404 1.00 1.00 C ATOM 281 OE1 GLN A 20 6.622 -6.642 -12.221 1.00 1.36 O ATOM 282 NE2 GLN A 20 4.517 -6.590 -12.982 1.00 1.60 N ATOM 0 H GLN A 20 5.476 -1.797 -10.122 1.00 0.25 H new ATOM 0 HA GLN A 20 4.110 -2.123 -11.874 1.00 0.28 H new ATOM 0 HB2 GLN A 20 3.683 -4.912 -10.787 1.00 0.36 H new ATOM 0 HB3 GLN A 20 3.337 -4.353 -12.411 1.00 0.36 H new ATOM 0 HG2 GLN A 20 5.722 -3.937 -12.819 1.00 0.88 H new ATOM 0 HG3 GLN A 20 6.109 -4.372 -11.166 1.00 0.88 H new ATOM 0 HE21 GLN A 20 3.661 -6.052 -13.116 1.00 1.60 H new ATOM 0 HE22 GLN A 20 4.564 -7.560 -13.294 1.00 1.60 H new ATOM 291 N GLU A 21 2.381 -1.543 -9.632 1.00 0.29 N ATOM 292 CA GLU A 21 1.157 -1.216 -8.902 1.00 0.36 C ATOM 293 C GLU A 21 0.022 -0.803 -9.836 1.00 0.31 C ATOM 294 O GLU A 21 0.119 0.189 -10.559 1.00 0.36 O ATOM 295 CB GLU A 21 1.452 -0.094 -7.897 1.00 0.53 C ATOM 296 CG GLU A 21 0.224 0.516 -7.232 1.00 0.79 C ATOM 297 CD GLU A 21 -0.508 -0.436 -6.307 1.00 0.70 C ATOM 298 OE1 GLU A 21 -0.242 -0.403 -5.091 1.00 1.07 O ATOM 299 OE2 GLU A 21 -1.321 -1.241 -6.799 1.00 1.31 O ATOM 0 H GLU A 21 3.177 -0.961 -9.370 1.00 0.29 H new ATOM 0 HA GLU A 21 0.828 -2.112 -8.376 1.00 0.36 H new ATOM 0 HB2 GLU A 21 2.110 -0.486 -7.121 1.00 0.53 H new ATOM 0 HB3 GLU A 21 2.000 0.697 -8.409 1.00 0.53 H new ATOM 0 HG2 GLU A 21 0.529 1.396 -6.665 1.00 0.79 H new ATOM 0 HG3 GLU A 21 -0.464 0.858 -8.005 1.00 0.79 H new ATOM 306 N PRO A 22 -1.053 -1.604 -9.841 1.00 0.27 N ATOM 307 CA PRO A 22 -2.304 -1.301 -10.556 1.00 0.28 C ATOM 308 C PRO A 22 -3.052 -0.102 -9.972 1.00 0.30 C ATOM 309 O PRO A 22 -3.504 0.780 -10.703 1.00 0.41 O ATOM 310 CB PRO A 22 -3.131 -2.570 -10.334 1.00 0.30 C ATOM 311 CG PRO A 22 -2.601 -3.105 -9.053 1.00 0.31 C ATOM 312 CD PRO A 22 -1.128 -2.906 -9.158 1.00 0.31 C ATOM 0 HA PRO A 22 -2.119 -1.043 -11.599 1.00 0.28 H new ATOM 0 HB2 PRO A 22 -4.196 -2.349 -10.267 1.00 0.30 H new ATOM 0 HB3 PRO A 22 -3.003 -3.281 -11.150 1.00 0.30 H new ATOM 0 HG2 PRO A 22 -3.015 -2.573 -8.197 1.00 0.31 H new ATOM 0 HG3 PRO A 22 -2.853 -4.158 -8.926 1.00 0.31 H new ATOM 0 HD2 PRO A 22 -0.647 -2.884 -8.180 1.00 0.31 H new ATOM 0 HD3 PRO A 22 -0.647 -3.698 -9.732 1.00 0.31 H new ATOM 320 N LYS A 23 -3.185 -0.081 -8.652 1.00 0.30 N ATOM 321 CA LYS A 23 -3.964 0.945 -7.977 1.00 0.35 C ATOM 322 C LYS A 23 -3.035 2.002 -7.395 1.00 0.34 C ATOM 323 O LYS A 23 -2.915 2.161 -6.178 1.00 0.45 O ATOM 324 CB LYS A 23 -4.833 0.331 -6.878 1.00 0.42 C ATOM 325 CG LYS A 23 -4.042 -0.514 -5.904 1.00 0.44 C ATOM 326 CD LYS A 23 -4.781 -0.716 -4.603 1.00 0.77 C ATOM 327 CE LYS A 23 -3.900 -1.428 -3.607 1.00 0.73 C ATOM 328 NZ LYS A 23 -4.598 -1.660 -2.315 1.00 1.41 N ATOM 0 H LYS A 23 -2.761 -0.766 -8.027 1.00 0.30 H new ATOM 0 HA LYS A 23 -4.624 1.417 -8.705 1.00 0.35 H new ATOM 0 HB2 LYS A 23 -5.337 1.129 -6.333 1.00 0.42 H new ATOM 0 HB3 LYS A 23 -5.609 -0.282 -7.336 1.00 0.42 H new ATOM 0 HG2 LYS A 23 -3.829 -1.483 -6.355 1.00 0.44 H new ATOM 0 HG3 LYS A 23 -3.082 -0.037 -5.706 1.00 0.44 H new ATOM 0 HD2 LYS A 23 -5.092 0.248 -4.200 1.00 0.77 H new ATOM 0 HD3 LYS A 23 -5.687 -1.296 -4.778 1.00 0.77 H new ATOM 0 HE2 LYS A 23 -3.580 -2.383 -4.023 1.00 0.73 H new ATOM 0 HE3 LYS A 23 -3.000 -0.839 -3.432 1.00 0.73 H new ATOM 0 HZ1 LYS A 23 -3.953 -1.445 -1.528 1.00 1.41 H new ATOM 0 HZ2 LYS A 23 -5.434 -1.044 -2.256 1.00 1.41 H new ATOM 0 HZ3 LYS A 23 -4.897 -2.654 -2.255 1.00 1.41 H new ATOM 342 N LYS A 24 -2.399 2.742 -8.286 1.00 0.29 N ATOM 343 CA LYS A 24 -1.360 3.692 -7.911 1.00 0.29 C ATOM 344 C LYS A 24 -1.884 4.786 -6.986 1.00 0.31 C ATOM 345 O LYS A 24 -1.107 5.459 -6.310 1.00 0.35 O ATOM 346 CB LYS A 24 -0.750 4.293 -9.168 1.00 0.31 C ATOM 347 CG LYS A 24 -0.337 3.235 -10.176 1.00 0.30 C ATOM 348 CD LYS A 24 0.476 3.843 -11.304 1.00 0.42 C ATOM 349 CE LYS A 24 0.962 2.785 -12.277 1.00 1.15 C ATOM 350 NZ LYS A 24 1.727 3.380 -13.404 1.00 1.75 N ATOM 0 H LYS A 24 -2.586 2.704 -9.288 1.00 0.29 H new ATOM 0 HA LYS A 24 -0.594 3.154 -7.353 1.00 0.29 H new ATOM 0 HB2 LYS A 24 -1.469 4.969 -9.630 1.00 0.31 H new ATOM 0 HB3 LYS A 24 0.120 4.891 -8.896 1.00 0.31 H new ATOM 0 HG2 LYS A 24 0.248 2.462 -9.678 1.00 0.30 H new ATOM 0 HG3 LYS A 24 -1.224 2.750 -10.583 1.00 0.30 H new ATOM 0 HD2 LYS A 24 -0.130 4.576 -11.836 1.00 0.42 H new ATOM 0 HD3 LYS A 24 1.331 4.377 -10.890 1.00 0.42 H new ATOM 0 HE2 LYS A 24 1.591 2.068 -11.750 1.00 1.15 H new ATOM 0 HE3 LYS A 24 0.108 2.232 -12.669 1.00 1.15 H new ATOM 0 HZ1 LYS A 24 2.042 2.625 -14.047 1.00 1.75 H new ATOM 0 HZ2 LYS A 24 1.119 4.046 -13.923 1.00 1.75 H new ATOM 0 HZ3 LYS A 24 2.556 3.886 -13.032 1.00 1.75 H new ATOM 364 N ASP A 25 -3.202 4.953 -6.951 1.00 0.31 N ATOM 365 CA ASP A 25 -3.837 5.872 -6.009 1.00 0.38 C ATOM 366 C ASP A 25 -3.468 5.497 -4.579 1.00 0.31 C ATOM 367 O ASP A 25 -3.201 6.358 -3.741 1.00 0.34 O ATOM 368 CB ASP A 25 -5.362 5.830 -6.165 1.00 0.54 C ATOM 369 CG ASP A 25 -5.834 6.349 -7.505 1.00 1.32 C ATOM 370 OD1 ASP A 25 -5.705 5.621 -8.511 1.00 2.14 O ATOM 371 OD2 ASP A 25 -6.341 7.489 -7.557 1.00 1.87 O ATOM 0 H ASP A 25 -3.853 4.464 -7.565 1.00 0.31 H new ATOM 0 HA ASP A 25 -3.482 6.880 -6.224 1.00 0.38 H new ATOM 0 HB2 ASP A 25 -5.707 4.804 -6.037 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -5.819 6.421 -5.371 1.00 0.54 H new ATOM 376 N LEU A 26 -3.453 4.198 -4.318 1.00 0.28 N ATOM 377 CA LEU A 26 -3.120 3.672 -3.003 1.00 0.31 C ATOM 378 C LEU A 26 -1.625 3.813 -2.739 1.00 0.25 C ATOM 379 O LEU A 26 -1.210 4.253 -1.665 1.00 0.24 O ATOM 380 CB LEU A 26 -3.563 2.199 -2.914 1.00 0.40 C ATOM 381 CG LEU A 26 -3.359 1.487 -1.565 1.00 0.58 C ATOM 382 CD1 LEU A 26 -1.922 1.011 -1.392 1.00 1.33 C ATOM 383 CD2 LEU A 26 -3.754 2.397 -0.417 1.00 1.18 C ATOM 0 H LEU A 26 -3.671 3.481 -5.010 1.00 0.28 H new ATOM 0 HA LEU A 26 -3.647 4.242 -2.238 1.00 0.31 H new ATOM 0 HB2 LEU A 26 -4.622 2.148 -3.167 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -3.026 1.637 -3.678 1.00 0.40 H new ATOM 0 HG LEU A 26 -4.004 0.608 -1.558 1.00 0.58 H new ATOM 0 HD11 LEU A 26 -1.817 0.513 -0.428 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -1.672 0.312 -2.190 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -1.248 1.866 -1.434 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -3.603 1.876 0.529 1.00 1.18 H new ATOM 0 HD22 LEU A 26 -3.139 3.297 -0.438 1.00 1.18 H new ATOM 0 HD23 LEU A 26 -4.804 2.672 -0.516 1.00 1.18 H new ATOM 395 N ILE A 27 -0.824 3.450 -3.729 1.00 0.23 N ATOM 396 CA ILE A 27 0.620 3.434 -3.569 1.00 0.23 C ATOM 397 C ILE A 27 1.174 4.856 -3.417 1.00 0.22 C ATOM 398 O ILE A 27 2.205 5.066 -2.783 1.00 0.24 O ATOM 399 CB ILE A 27 1.302 2.679 -4.738 1.00 0.24 C ATOM 400 CG1 ILE A 27 2.462 1.826 -4.223 1.00 0.28 C ATOM 401 CG2 ILE A 27 1.783 3.631 -5.813 1.00 0.34 C ATOM 402 CD1 ILE A 27 2.041 0.832 -3.166 1.00 0.44 C ATOM 0 H ILE A 27 -1.151 3.163 -4.652 1.00 0.23 H new ATOM 0 HA ILE A 27 0.851 2.893 -2.651 1.00 0.23 H new ATOM 0 HB ILE A 27 0.555 2.024 -5.186 1.00 0.24 H new ATOM 0 HG12 ILE A 27 2.911 1.290 -5.059 1.00 0.28 H new ATOM 0 HG13 ILE A 27 3.232 2.479 -3.813 1.00 0.28 H new ATOM 0 HG21 ILE A 27 2.256 3.065 -6.616 1.00 0.34 H new ATOM 0 HG22 ILE A 27 0.935 4.188 -6.212 1.00 0.34 H new ATOM 0 HG23 ILE A 27 2.505 4.327 -5.386 1.00 0.34 H new ATOM 0 HD11 ILE A 27 2.908 0.257 -2.841 1.00 0.44 H new ATOM 0 HD12 ILE A 27 1.618 1.364 -2.314 1.00 0.44 H new ATOM 0 HD13 ILE A 27 1.292 0.156 -3.580 1.00 0.44 H new ATOM 409 N ALA A 28 0.494 5.835 -4.007 1.00 0.21 N ATOM 410 CA ALA A 28 0.842 7.234 -3.787 1.00 0.21 C ATOM 411 C ALA A 28 0.371 7.692 -2.417 1.00 0.21 C ATOM 412 O ALA A 28 1.014 8.517 -1.770 1.00 0.20 O ATOM 413 CB ALA A 28 0.243 8.126 -4.858 1.00 0.21 C ATOM 0 H ALA A 28 -0.295 5.687 -4.636 1.00 0.21 H new ATOM 0 HA ALA A 28 1.928 7.314 -3.839 1.00 0.21 H new ATOM 0 HB1 ALA A 28 0.521 9.162 -4.666 1.00 0.21 H new ATOM 0 HB2 ALA A 28 0.620 7.825 -5.835 1.00 0.21 H new ATOM 0 HB3 ALA A 28 -0.843 8.033 -4.844 1.00 0.21 H new ATOM 419 N ARG A 29 -0.767 7.164 -1.985 1.00 0.21 N ATOM 420 CA ARG A 29 -1.338 7.536 -0.700 1.00 0.21 C ATOM 421 C ARG A 29 -0.421 7.145 0.452 1.00 0.19 C ATOM 422 O ARG A 29 -0.202 7.938 1.365 1.00 0.17 O ATOM 423 CB ARG A 29 -2.699 6.891 -0.483 1.00 0.22 C ATOM 424 CG ARG A 29 -3.229 7.176 0.905 1.00 0.27 C ATOM 425 CD ARG A 29 -4.308 6.183 1.322 1.00 0.29 C ATOM 426 NE ARG A 29 -5.455 6.203 0.412 1.00 0.64 N ATOM 427 CZ ARG A 29 -6.709 5.926 0.773 1.00 1.11 C ATOM 428 NH1 ARG A 29 -7.008 5.676 2.043 1.00 1.48 N ATOM 429 NH2 ARG A 29 -7.666 5.918 -0.149 1.00 1.47 N ATOM 0 H ARG A 29 -1.312 6.477 -2.507 1.00 0.21 H new ATOM 0 HA ARG A 29 -1.454 8.620 -0.718 1.00 0.21 H new ATOM 0 HB2 ARG A 29 -3.403 7.264 -1.227 1.00 0.22 H new ATOM 0 HB3 ARG A 29 -2.621 5.814 -0.630 1.00 0.22 H new ATOM 0 HG2 ARG A 29 -2.408 7.140 1.621 1.00 0.27 H new ATOM 0 HG3 ARG A 29 -3.635 8.187 0.937 1.00 0.27 H new ATOM 0 HD2 ARG A 29 -3.885 5.179 1.350 1.00 0.29 H new ATOM 0 HD3 ARG A 29 -4.643 6.416 2.333 1.00 0.29 H new ATOM 0 HE ARG A 29 -5.284 6.445 -0.564 1.00 0.64 H new ATOM 0 HH11 ARG A 29 -6.276 5.695 2.753 1.00 1.48 H new ATOM 0 HH12 ARG A 29 -7.970 5.465 2.308 1.00 1.48 H new ATOM 0 HH21 ARG A 29 -7.438 6.122 -1.122 1.00 1.47 H new ATOM 0 HH22 ARG A 29 -8.628 5.707 0.116 1.00 1.47 H new ATOM 443 N VAL A 30 0.100 5.920 0.419 1.00 0.21 N ATOM 444 CA VAL A 30 0.991 5.453 1.479 1.00 0.23 C ATOM 445 C VAL A 30 2.166 6.413 1.629 1.00 0.19 C ATOM 446 O VAL A 30 2.592 6.726 2.738 1.00 0.17 O ATOM 447 CB VAL A 30 1.500 4.013 1.221 1.00 0.34 C ATOM 448 CG1 VAL A 30 2.322 3.930 -0.052 1.00 1.03 C ATOM 449 CG2 VAL A 30 2.300 3.506 2.411 1.00 1.10 C ATOM 0 H VAL A 30 -0.076 5.240 -0.321 1.00 0.21 H new ATOM 0 HA VAL A 30 0.419 5.430 2.406 1.00 0.23 H new ATOM 0 HB VAL A 30 0.627 3.373 1.091 1.00 0.34 H new ATOM 0 HG11 VAL A 30 2.662 2.905 -0.200 1.00 1.03 H new ATOM 0 HG12 VAL A 30 1.710 4.235 -0.901 1.00 1.03 H new ATOM 0 HG13 VAL A 30 3.186 4.590 0.029 1.00 1.03 H new ATOM 0 HG21 VAL A 30 2.649 2.493 2.210 1.00 1.10 H new ATOM 0 HG22 VAL A 30 3.157 4.158 2.578 1.00 1.10 H new ATOM 0 HG23 VAL A 30 1.668 3.503 3.299 1.00 1.10 H new ATOM 453 N VAL A 31 2.643 6.901 0.494 1.00 0.19 N ATOM 454 CA VAL A 31 3.663 7.934 0.443 1.00 0.19 C ATOM 455 C VAL A 31 3.231 9.153 1.248 1.00 0.17 C ATOM 456 O VAL A 31 3.964 9.648 2.099 1.00 0.20 O ATOM 457 CB VAL A 31 3.886 8.367 -1.014 1.00 0.20 C ATOM 458 CG1 VAL A 31 4.791 9.592 -1.100 1.00 0.20 C ATOM 459 CG2 VAL A 31 4.461 7.223 -1.833 1.00 0.22 C ATOM 0 H VAL A 31 2.330 6.588 -0.425 1.00 0.19 H new ATOM 0 HA VAL A 31 4.583 7.528 0.864 1.00 0.19 H new ATOM 0 HB VAL A 31 2.915 8.639 -1.429 1.00 0.20 H new ATOM 0 HG11 VAL A 31 4.927 9.871 -2.145 1.00 0.20 H new ATOM 0 HG12 VAL A 31 4.334 10.421 -0.560 1.00 0.20 H new ATOM 0 HG13 VAL A 31 5.760 9.361 -0.657 1.00 0.20 H new ATOM 0 HG21 VAL A 31 4.611 7.551 -2.861 1.00 0.22 H new ATOM 0 HG22 VAL A 31 5.416 6.915 -1.407 1.00 0.22 H new ATOM 0 HG23 VAL A 31 3.769 6.381 -1.818 1.00 0.22 H new ATOM 463 N ARG A 32 2.022 9.611 0.969 1.00 0.16 N ATOM 464 CA ARG A 32 1.471 10.791 1.612 1.00 0.19 C ATOM 465 C ARG A 32 1.364 10.590 3.127 1.00 0.18 C ATOM 466 O ARG A 32 1.665 11.493 3.911 1.00 0.23 O ATOM 467 CB ARG A 32 0.096 11.091 1.016 1.00 0.26 C ATOM 468 CG ARG A 32 -0.507 12.409 1.465 1.00 1.08 C ATOM 469 CD ARG A 32 -1.757 12.724 0.665 1.00 1.37 C ATOM 470 NE ARG A 32 -1.462 12.842 -0.763 1.00 2.21 N ATOM 471 CZ ARG A 32 -2.359 12.684 -1.734 1.00 2.78 C ATOM 472 NH1 ARG A 32 -3.623 12.408 -1.447 1.00 2.81 N ATOM 473 NH2 ARG A 32 -1.993 12.805 -3.002 1.00 3.75 N ATOM 0 H ARG A 32 1.396 9.176 0.291 1.00 0.16 H new ATOM 0 HA ARG A 32 2.138 11.635 1.436 1.00 0.19 H new ATOM 0 HB2 ARG A 32 0.177 11.094 -0.071 1.00 0.26 H new ATOM 0 HB3 ARG A 32 -0.586 10.284 1.282 1.00 0.26 H new ATOM 0 HG2 ARG A 32 -0.750 12.361 2.526 1.00 1.08 H new ATOM 0 HG3 ARG A 32 0.222 13.210 1.341 1.00 1.08 H new ATOM 0 HD2 ARG A 32 -2.498 11.940 0.821 1.00 1.37 H new ATOM 0 HD3 ARG A 32 -2.196 13.654 1.025 1.00 1.37 H new ATOM 0 HE ARG A 32 -0.503 13.060 -1.033 1.00 2.21 H new ATOM 0 HH11 ARG A 32 -3.917 12.315 -0.475 1.00 2.81 H new ATOM 0 HH12 ARG A 32 -4.302 12.289 -2.198 1.00 2.81 H new ATOM 0 HH21 ARG A 32 -1.023 13.019 -3.235 1.00 3.75 H new ATOM 0 HH22 ARG A 32 -2.681 12.684 -3.745 1.00 3.75 H new ATOM 487 N ILE A 33 0.946 9.393 3.528 1.00 0.16 N ATOM 488 CA ILE A 33 0.709 9.089 4.937 1.00 0.17 C ATOM 489 C ILE A 33 2.018 8.913 5.722 1.00 0.18 C ATOM 490 O ILE A 33 2.181 9.503 6.792 1.00 0.22 O ATOM 491 CB ILE A 33 -0.170 7.825 5.101 1.00 0.21 C ATOM 492 CG1 ILE A 33 -1.451 7.948 4.266 1.00 0.30 C ATOM 493 CG2 ILE A 33 -0.524 7.597 6.569 1.00 0.21 C ATOM 494 CD1 ILE A 33 -2.334 9.115 4.658 1.00 0.80 C ATOM 0 H ILE A 33 0.764 8.614 2.895 1.00 0.16 H new ATOM 0 HA ILE A 33 0.179 9.947 5.350 1.00 0.17 H new ATOM 0 HB ILE A 33 0.402 6.968 4.745 1.00 0.21 H new ATOM 0 HG12 ILE A 33 -1.179 8.049 3.215 1.00 0.30 H new ATOM 0 HG13 ILE A 33 -2.023 7.025 4.360 1.00 0.30 H new ATOM 0 HG21 ILE A 33 -1.142 6.704 6.660 1.00 0.21 H new ATOM 0 HG22 ILE A 33 0.390 7.466 7.148 1.00 0.21 H new ATOM 0 HG23 ILE A 33 -1.074 8.458 6.949 1.00 0.21 H new ATOM 0 HD11 ILE A 33 -3.218 9.132 4.021 1.00 0.80 H new ATOM 0 HD12 ILE A 33 -2.639 9.007 5.699 1.00 0.80 H new ATOM 0 HD13 ILE A 33 -1.781 10.046 4.536 1.00 0.80 H new ATOM 501 N ILE A 34 2.950 8.117 5.200 1.00 0.20 N ATOM 502 CA ILE A 34 4.169 7.809 5.954 1.00 0.25 C ATOM 503 C ILE A 34 5.300 8.792 5.654 1.00 0.23 C ATOM 504 O ILE A 34 6.144 9.050 6.512 1.00 0.30 O ATOM 505 CB ILE A 34 4.671 6.360 5.712 1.00 0.30 C ATOM 506 CG1 ILE A 34 5.104 6.153 4.256 1.00 0.26 C ATOM 507 CG2 ILE A 34 3.596 5.353 6.097 1.00 0.40 C ATOM 508 CD1 ILE A 34 5.647 4.765 3.979 1.00 0.34 C ATOM 0 H ILE A 34 2.890 7.681 4.280 1.00 0.20 H new ATOM 0 HA ILE A 34 3.888 7.906 7.003 1.00 0.25 H new ATOM 0 HB ILE A 34 5.544 6.200 6.344 1.00 0.30 H new ATOM 0 HG12 ILE A 34 4.252 6.339 3.602 1.00 0.26 H new ATOM 0 HG13 ILE A 34 5.866 6.890 4.004 1.00 0.26 H new ATOM 0 HG21 ILE A 34 3.964 4.342 5.921 1.00 0.40 H new ATOM 0 HG22 ILE A 34 3.348 5.470 7.152 1.00 0.40 H new ATOM 0 HG23 ILE A 34 2.704 5.524 5.494 1.00 0.40 H new ATOM 0 HD11 ILE A 34 5.934 4.689 2.930 1.00 0.34 H new ATOM 0 HD12 ILE A 34 6.519 4.583 4.608 1.00 0.34 H new ATOM 0 HD13 ILE A 34 4.879 4.023 4.200 1.00 0.34 H new ATOM 515 N GLY A 35 5.315 9.349 4.455 1.00 0.23 N ATOM 516 CA GLY A 35 6.357 10.289 4.092 1.00 0.24 C ATOM 517 C GLY A 35 7.181 9.818 2.909 1.00 0.22 C ATOM 518 O GLY A 35 7.183 8.632 2.577 1.00 0.26 O ATOM 0 H GLY A 35 4.626 9.169 3.725 1.00 0.23 H new ATOM 0 HA2 GLY A 35 5.906 11.252 3.855 1.00 0.24 H new ATOM 0 HA3 GLY A 35 7.014 10.446 4.948 1.00 0.24 H new ATOM 522 N ASN A 36 7.890 10.750 2.283 1.00 0.30 N ATOM 523 CA ASN A 36 8.703 10.453 1.104 1.00 0.34 C ATOM 524 C ASN A 36 9.856 9.509 1.436 1.00 0.27 C ATOM 525 O ASN A 36 10.016 8.462 0.805 1.00 0.27 O ATOM 526 CB ASN A 36 9.232 11.756 0.480 1.00 0.46 C ATOM 527 CG ASN A 36 9.806 12.725 1.506 1.00 0.55 C ATOM 528 OD1 ASN A 36 9.070 13.491 2.126 1.00 0.91 O ATOM 529 ND2 ASN A 36 11.117 12.722 1.678 1.00 0.71 N ATOM 0 H ASN A 36 7.920 11.727 2.574 1.00 0.30 H new ATOM 0 HA ASN A 36 8.066 9.947 0.379 1.00 0.34 H new ATOM 0 HB2 ASN A 36 10.003 11.514 -0.252 1.00 0.46 H new ATOM 0 HB3 ASN A 36 8.423 12.247 -0.060 1.00 0.46 H new ATOM 0 HD21 ASN A 36 11.546 13.368 2.341 1.00 0.71 H new ATOM 0 HD22 ASN A 36 11.699 12.074 1.148 1.00 0.71 H new ATOM 536 N LYS A 37 10.639 9.863 2.443 1.00 0.31 N ATOM 537 CA LYS A 37 11.806 9.077 2.811 1.00 0.33 C ATOM 538 C LYS A 37 11.380 7.767 3.463 1.00 0.27 C ATOM 539 O LYS A 37 12.040 6.739 3.308 1.00 0.31 O ATOM 540 CB LYS A 37 12.730 9.876 3.736 1.00 0.46 C ATOM 541 CG LYS A 37 12.087 10.330 5.038 1.00 1.24 C ATOM 542 CD LYS A 37 13.004 11.276 5.800 1.00 1.85 C ATOM 543 CE LYS A 37 14.358 10.640 6.076 1.00 2.58 C ATOM 544 NZ LYS A 37 15.312 11.603 6.686 1.00 3.19 N ATOM 0 H LYS A 37 10.487 10.690 3.020 1.00 0.31 H new ATOM 0 HA LYS A 37 12.364 8.841 1.905 1.00 0.33 H new ATOM 0 HB2 LYS A 37 13.603 9.266 3.971 1.00 0.46 H new ATOM 0 HB3 LYS A 37 13.089 10.754 3.199 1.00 0.46 H new ATOM 0 HG2 LYS A 37 11.141 10.828 4.826 1.00 1.24 H new ATOM 0 HG3 LYS A 37 11.859 9.462 5.657 1.00 1.24 H new ATOM 0 HD2 LYS A 37 13.142 12.192 5.225 1.00 1.85 H new ATOM 0 HD3 LYS A 37 12.535 11.558 6.742 1.00 1.85 H new ATOM 0 HE2 LYS A 37 14.229 9.787 6.742 1.00 2.58 H new ATOM 0 HE3 LYS A 37 14.775 10.257 5.145 1.00 2.58 H new ATOM 0 HZ1 LYS A 37 16.222 11.129 6.858 1.00 3.19 H new ATOM 0 HZ2 LYS A 37 15.456 12.405 6.040 1.00 3.19 H new ATOM 0 HZ3 LYS A 37 14.927 11.949 7.588 1.00 3.19 H new ATOM 558 N LYS A 38 10.265 7.815 4.181 1.00 0.27 N ATOM 559 CA LYS A 38 9.728 6.644 4.860 1.00 0.27 C ATOM 560 C LYS A 38 9.231 5.608 3.856 1.00 0.24 C ATOM 561 O LYS A 38 9.268 4.406 4.124 1.00 0.32 O ATOM 562 CB LYS A 38 8.605 7.065 5.808 1.00 0.36 C ATOM 563 CG LYS A 38 9.088 7.941 6.953 1.00 1.07 C ATOM 564 CD LYS A 38 9.828 7.124 8.001 1.00 1.33 C ATOM 565 CE LYS A 38 8.869 6.516 9.016 1.00 1.33 C ATOM 566 NZ LYS A 38 8.300 7.553 9.920 1.00 2.45 N ATOM 0 H LYS A 38 9.711 8.662 4.308 1.00 0.27 H new ATOM 0 HA LYS A 38 10.526 6.182 5.442 1.00 0.27 H new ATOM 0 HB2 LYS A 38 7.843 7.603 5.243 1.00 0.36 H new ATOM 0 HB3 LYS A 38 8.129 6.174 6.216 1.00 0.36 H new ATOM 0 HG2 LYS A 38 9.745 8.720 6.566 1.00 1.07 H new ATOM 0 HG3 LYS A 38 8.237 8.442 7.414 1.00 1.07 H new ATOM 0 HD2 LYS A 38 10.393 6.330 7.512 1.00 1.33 H new ATOM 0 HD3 LYS A 38 10.549 7.759 8.516 1.00 1.33 H new ATOM 0 HE2 LYS A 38 8.061 6.005 8.493 1.00 1.33 H new ATOM 0 HE3 LYS A 38 9.392 5.764 9.607 1.00 1.33 H new ATOM 0 HZ1 LYS A 38 7.907 7.097 10.768 1.00 2.45 H new ATOM 0 HZ2 LYS A 38 9.049 8.218 10.200 1.00 2.45 H new ATOM 0 HZ3 LYS A 38 7.546 8.070 9.424 1.00 2.45 H new ATOM 580 N ALA A 39 8.779 6.075 2.698 1.00 0.20 N ATOM 581 CA ALA A 39 8.359 5.177 1.630 1.00 0.22 C ATOM 582 C ALA A 39 9.560 4.423 1.075 1.00 0.24 C ATOM 583 O ALA A 39 9.484 3.228 0.791 1.00 0.29 O ATOM 584 CB ALA A 39 7.653 5.948 0.527 1.00 0.26 C ATOM 0 H ALA A 39 8.694 7.067 2.475 1.00 0.20 H new ATOM 0 HA ALA A 39 7.655 4.454 2.041 1.00 0.22 H new ATOM 0 HB1 ALA A 39 7.348 5.259 -0.260 1.00 0.26 H new ATOM 0 HB2 ALA A 39 6.773 6.445 0.936 1.00 0.26 H new ATOM 0 HB3 ALA A 39 8.331 6.694 0.113 1.00 0.26 H new ATOM 590 N ILE A 40 10.679 5.126 0.940 1.00 0.24 N ATOM 591 CA ILE A 40 11.920 4.510 0.489 1.00 0.32 C ATOM 592 C ILE A 40 12.475 3.562 1.550 1.00 0.30 C ATOM 593 O ILE A 40 13.100 2.550 1.227 1.00 0.35 O ATOM 594 CB ILE A 40 12.975 5.568 0.101 1.00 0.42 C ATOM 595 CG1 ILE A 40 12.514 6.310 -1.159 1.00 0.55 C ATOM 596 CG2 ILE A 40 14.344 4.930 -0.115 1.00 0.52 C ATOM 597 CD1 ILE A 40 13.537 7.276 -1.710 1.00 1.13 C ATOM 0 H ILE A 40 10.751 6.124 1.137 1.00 0.24 H new ATOM 0 HA ILE A 40 11.688 3.931 -0.405 1.00 0.32 H new ATOM 0 HB ILE A 40 13.075 6.281 0.920 1.00 0.42 H new ATOM 0 HG12 ILE A 40 12.267 5.579 -1.929 1.00 0.55 H new ATOM 0 HG13 ILE A 40 11.598 6.856 -0.933 1.00 0.55 H new ATOM 0 HG21 ILE A 40 15.066 5.700 -0.387 1.00 0.52 H new ATOM 0 HG22 ILE A 40 14.666 4.440 0.804 1.00 0.52 H new ATOM 0 HG23 ILE A 40 14.280 4.194 -0.916 1.00 0.52 H new ATOM 0 HD11 ILE A 40 13.137 7.761 -2.600 1.00 1.13 H new ATOM 0 HD12 ILE A 40 13.767 8.031 -0.958 1.00 1.13 H new ATOM 0 HD13 ILE A 40 14.446 6.734 -1.970 1.00 1.13 H new ATOM 604 N GLU A 41 12.244 3.889 2.818 1.00 0.28 N ATOM 605 CA GLU A 41 12.600 2.986 3.907 1.00 0.32 C ATOM 606 C GLU A 41 11.881 1.650 3.737 1.00 0.31 C ATOM 607 O GLU A 41 12.454 0.591 3.985 1.00 0.37 O ATOM 608 CB GLU A 41 12.259 3.605 5.264 1.00 0.38 C ATOM 609 CG GLU A 41 13.137 4.791 5.627 1.00 0.79 C ATOM 610 CD GLU A 41 14.608 4.426 5.685 1.00 1.42 C ATOM 611 OE1 GLU A 41 15.354 4.803 4.759 1.00 2.10 O ATOM 612 OE2 GLU A 41 15.027 3.758 6.655 1.00 1.57 O ATOM 0 H GLU A 41 11.815 4.766 3.115 1.00 0.28 H new ATOM 0 HA GLU A 41 13.676 2.816 3.874 1.00 0.32 H new ATOM 0 HB2 GLU A 41 11.217 3.923 5.258 1.00 0.38 H new ATOM 0 HB3 GLU A 41 12.355 2.842 6.037 1.00 0.38 H new ATOM 0 HG2 GLU A 41 12.991 5.585 4.895 1.00 0.79 H new ATOM 0 HG3 GLU A 41 12.826 5.188 6.593 1.00 0.79 H new ATOM 619 N LEU A 42 10.629 1.704 3.292 1.00 0.26 N ATOM 620 CA LEU A 42 9.887 0.491 2.984 1.00 0.25 C ATOM 621 C LEU A 42 10.437 -0.156 1.712 1.00 0.24 C ATOM 622 O LEU A 42 10.483 -1.373 1.602 1.00 0.26 O ATOM 623 CB LEU A 42 8.389 0.777 2.825 1.00 0.25 C ATOM 624 CG LEU A 42 7.642 1.180 4.104 1.00 0.28 C ATOM 625 CD1 LEU A 42 6.171 1.408 3.798 1.00 0.29 C ATOM 626 CD2 LEU A 42 7.794 0.121 5.190 1.00 0.28 C ATOM 0 H LEU A 42 10.112 2.570 3.138 1.00 0.26 H new ATOM 0 HA LEU A 42 10.011 -0.198 3.819 1.00 0.25 H new ATOM 0 HB2 LEU A 42 8.267 1.573 2.091 1.00 0.25 H new ATOM 0 HB3 LEU A 42 7.911 -0.112 2.414 1.00 0.25 H new ATOM 0 HG LEU A 42 8.080 2.107 4.474 1.00 0.28 H new ATOM 0 HD11 LEU A 42 5.649 1.693 4.711 1.00 0.29 H new ATOM 0 HD12 LEU A 42 6.072 2.204 3.060 1.00 0.29 H new ATOM 0 HD13 LEU A 42 5.735 0.490 3.403 1.00 0.29 H new ATOM 0 HD21 LEU A 42 7.254 0.435 6.083 1.00 0.28 H new ATOM 0 HD22 LEU A 42 7.387 -0.826 4.834 1.00 0.28 H new ATOM 0 HD23 LEU A 42 8.850 -0.005 5.430 1.00 0.28 H new ATOM 638 N LEU A 43 10.868 0.669 0.759 1.00 0.28 N ATOM 639 CA LEU A 43 11.489 0.173 -0.473 1.00 0.33 C ATOM 640 C LEU A 43 12.801 -0.556 -0.186 1.00 0.31 C ATOM 641 O LEU A 43 13.231 -1.418 -0.950 1.00 0.38 O ATOM 642 CB LEU A 43 11.739 1.308 -1.466 1.00 0.46 C ATOM 643 CG LEU A 43 10.487 1.915 -2.101 1.00 0.52 C ATOM 644 CD1 LEU A 43 10.876 2.939 -3.156 1.00 1.36 C ATOM 645 CD2 LEU A 43 9.602 0.830 -2.702 1.00 1.24 C ATOM 0 H LEU A 43 10.799 1.685 0.814 1.00 0.28 H new ATOM 0 HA LEU A 43 10.788 -0.534 -0.916 1.00 0.33 H new ATOM 0 HB2 LEU A 43 12.287 2.100 -0.955 1.00 0.46 H new ATOM 0 HB3 LEU A 43 12.385 0.936 -2.261 1.00 0.46 H new ATOM 0 HG LEU A 43 9.916 2.419 -1.322 1.00 0.52 H new ATOM 0 HD11 LEU A 43 9.976 3.364 -3.600 1.00 1.36 H new ATOM 0 HD12 LEU A 43 11.462 3.733 -2.693 1.00 1.36 H new ATOM 0 HD13 LEU A 43 11.470 2.455 -3.931 1.00 1.36 H new ATOM 0 HD21 LEU A 43 8.718 1.287 -3.147 1.00 1.24 H new ATOM 0 HD22 LEU A 43 10.158 0.291 -3.469 1.00 1.24 H new ATOM 0 HD23 LEU A 43 9.296 0.135 -1.920 1.00 1.24 H new ATOM 657 N MET A 44 13.484 -0.150 0.871 1.00 0.28 N ATOM 658 CA MET A 44 14.657 -0.877 1.327 1.00 0.32 C ATOM 659 C MET A 44 14.224 -2.149 2.052 1.00 0.34 C ATOM 660 O MET A 44 14.869 -3.195 1.952 1.00 0.44 O ATOM 661 CB MET A 44 15.516 0.002 2.241 1.00 0.33 C ATOM 662 CG MET A 44 16.861 -0.616 2.585 1.00 0.93 C ATOM 663 SD MET A 44 17.917 -0.843 1.139 1.00 1.99 S ATOM 664 CE MET A 44 18.216 0.862 0.669 1.00 2.20 C ATOM 0 H MET A 44 13.249 0.673 1.426 1.00 0.28 H new ATOM 0 HA MET A 44 15.261 -1.152 0.463 1.00 0.32 H new ATOM 0 HB2 MET A 44 15.680 0.965 1.757 1.00 0.33 H new ATOM 0 HB3 MET A 44 14.969 0.198 3.163 1.00 0.33 H new ATOM 0 HG2 MET A 44 17.374 0.019 3.307 1.00 0.93 H new ATOM 0 HG3 MET A 44 16.700 -1.580 3.067 1.00 0.93 H new ATOM 0 HE1 MET A 44 19.084 0.911 0.012 1.00 2.20 H new ATOM 0 HE2 MET A 44 17.343 1.254 0.147 1.00 2.20 H new ATOM 0 HE3 MET A 44 18.402 1.458 1.562 1.00 2.20 H new ATOM 674 N GLU A 45 13.106 -2.045 2.762 1.00 0.32 N ATOM 675 CA GLU A 45 12.570 -3.143 3.561 1.00 0.42 C ATOM 676 C GLU A 45 12.030 -4.271 2.675 1.00 0.42 C ATOM 677 O GLU A 45 12.134 -5.449 3.029 1.00 0.53 O ATOM 678 CB GLU A 45 11.453 -2.611 4.463 1.00 0.48 C ATOM 679 CG GLU A 45 11.019 -3.563 5.564 1.00 1.12 C ATOM 680 CD GLU A 45 12.095 -3.776 6.607 1.00 1.39 C ATOM 681 OE1 GLU A 45 12.777 -2.794 6.975 1.00 1.78 O ATOM 682 OE2 GLU A 45 12.255 -4.919 7.081 1.00 1.83 O ATOM 0 H GLU A 45 12.544 -1.195 2.800 1.00 0.32 H new ATOM 0 HA GLU A 45 13.378 -3.554 4.167 1.00 0.42 H new ATOM 0 HB2 GLU A 45 11.785 -1.678 4.918 1.00 0.48 H new ATOM 0 HB3 GLU A 45 10.587 -2.373 3.845 1.00 0.48 H new ATOM 0 HG2 GLU A 45 10.123 -3.171 6.046 1.00 1.12 H new ATOM 0 HG3 GLU A 45 10.750 -4.523 5.124 1.00 1.12 H new ATOM 689 N THR A 46 11.465 -3.902 1.522 1.00 0.35 N ATOM 690 CA THR A 46 10.839 -4.859 0.611 1.00 0.42 C ATOM 691 C THR A 46 11.764 -6.021 0.277 1.00 0.52 C ATOM 692 O THR A 46 11.313 -7.144 0.161 1.00 0.57 O ATOM 693 CB THR A 46 10.399 -4.194 -0.711 1.00 0.46 C ATOM 694 OG1 THR A 46 11.209 -3.051 -0.967 1.00 1.03 O ATOM 695 CG2 THR A 46 8.935 -3.787 -0.684 1.00 0.66 C ATOM 0 H THR A 46 11.430 -2.936 1.197 1.00 0.35 H new ATOM 0 HA THR A 46 9.963 -5.235 1.139 1.00 0.42 H new ATOM 0 HB THR A 46 10.525 -4.928 -1.507 1.00 0.46 H new ATOM 0 HG1 THR A 46 12.152 -3.280 -0.828 1.00 1.03 H new ATOM 0 HG21 THR A 46 8.669 -3.323 -1.634 1.00 0.66 H new ATOM 0 HG22 THR A 46 8.315 -4.669 -0.524 1.00 0.66 H new ATOM 0 HG23 THR A 46 8.770 -3.076 0.126 1.00 0.66 H new ATOM 703 N ALA A 47 13.054 -5.753 0.146 1.00 0.58 N ATOM 704 CA ALA A 47 14.007 -6.785 -0.260 1.00 0.71 C ATOM 705 C ALA A 47 14.092 -7.908 0.769 1.00 0.76 C ATOM 706 O ALA A 47 14.042 -9.087 0.415 1.00 0.88 O ATOM 707 CB ALA A 47 15.381 -6.187 -0.497 1.00 0.78 C ATOM 0 H ALA A 47 13.468 -4.836 0.313 1.00 0.58 H new ATOM 0 HA ALA A 47 13.643 -7.212 -1.195 1.00 0.71 H new ATOM 0 HB1 ALA A 47 16.073 -6.973 -0.798 1.00 0.78 H new ATOM 0 HB2 ALA A 47 15.320 -5.436 -1.285 1.00 0.78 H new ATOM 0 HB3 ALA A 47 15.738 -5.721 0.421 1.00 0.78 H new ATOM 713 N GLU A 48 14.201 -7.540 2.042 1.00 0.74 N ATOM 714 CA GLU A 48 14.285 -8.525 3.118 1.00 0.85 C ATOM 715 C GLU A 48 12.974 -9.295 3.233 1.00 0.78 C ATOM 716 O GLU A 48 12.949 -10.465 3.612 1.00 0.94 O ATOM 717 CB GLU A 48 14.612 -7.842 4.448 1.00 0.94 C ATOM 718 CG GLU A 48 15.944 -7.106 4.444 1.00 1.48 C ATOM 719 CD GLU A 48 16.272 -6.483 5.785 1.00 1.79 C ATOM 720 OE1 GLU A 48 16.527 -7.232 6.750 1.00 2.51 O ATOM 721 OE2 GLU A 48 16.289 -5.240 5.881 1.00 1.88 O ATOM 0 H GLU A 48 14.233 -6.570 2.354 1.00 0.74 H new ATOM 0 HA GLU A 48 15.086 -9.225 2.881 1.00 0.85 H new ATOM 0 HB2 GLU A 48 13.817 -7.136 4.689 1.00 0.94 H new ATOM 0 HB3 GLU A 48 14.623 -8.592 5.239 1.00 0.94 H new ATOM 0 HG2 GLU A 48 16.737 -7.800 4.167 1.00 1.48 H new ATOM 0 HG3 GLU A 48 15.922 -6.327 3.682 1.00 1.48 H new ATOM 728 N VAL A 49 11.890 -8.621 2.892 1.00 0.60 N ATOM 729 CA VAL A 49 10.568 -9.225 2.894 1.00 0.55 C ATOM 730 C VAL A 49 10.388 -10.132 1.668 1.00 0.65 C ATOM 731 O VAL A 49 9.911 -11.265 1.773 1.00 0.76 O ATOM 732 CB VAL A 49 9.487 -8.124 2.909 1.00 0.47 C ATOM 733 CG1 VAL A 49 8.098 -8.718 2.817 1.00 0.57 C ATOM 734 CG2 VAL A 49 9.620 -7.264 4.158 1.00 0.59 C ATOM 0 H VAL A 49 11.900 -7.642 2.606 1.00 0.60 H new ATOM 0 HA VAL A 49 10.464 -9.836 3.791 1.00 0.55 H new ATOM 0 HB VAL A 49 9.639 -7.492 2.034 1.00 0.47 H new ATOM 0 HG11 VAL A 49 7.358 -7.917 2.830 1.00 0.57 H new ATOM 0 HG12 VAL A 49 8.005 -9.283 1.890 1.00 0.57 H new ATOM 0 HG13 VAL A 49 7.929 -9.382 3.665 1.00 0.57 H new ATOM 0 HG21 VAL A 49 8.850 -6.493 4.152 1.00 0.59 H new ATOM 0 HG22 VAL A 49 9.502 -7.888 5.044 1.00 0.59 H new ATOM 0 HG23 VAL A 49 10.604 -6.795 4.173 1.00 0.59 H new ATOM 738 N GLU A 50 10.810 -9.620 0.519 1.00 0.70 N ATOM 739 CA GLU A 50 10.713 -10.319 -0.759 1.00 0.91 C ATOM 740 C GLU A 50 11.393 -11.671 -0.725 1.00 1.07 C ATOM 741 O GLU A 50 10.811 -12.675 -1.134 1.00 1.22 O ATOM 742 CB GLU A 50 11.352 -9.471 -1.859 1.00 1.03 C ATOM 743 CG GLU A 50 10.398 -8.489 -2.508 1.00 1.14 C ATOM 744 CD GLU A 50 9.390 -9.189 -3.380 1.00 1.46 C ATOM 745 OE1 GLU A 50 8.378 -9.674 -2.851 1.00 1.81 O ATOM 746 OE2 GLU A 50 9.623 -9.281 -4.607 1.00 1.96 O ATOM 0 H GLU A 50 11.235 -8.696 0.446 1.00 0.70 H new ATOM 0 HA GLU A 50 9.654 -10.478 -0.961 1.00 0.91 H new ATOM 0 HB2 GLU A 50 12.193 -8.921 -1.438 1.00 1.03 H new ATOM 0 HB3 GLU A 50 11.755 -10.132 -2.626 1.00 1.03 H new ATOM 0 HG2 GLU A 50 9.879 -7.920 -1.736 1.00 1.14 H new ATOM 0 HG3 GLU A 50 10.963 -7.774 -3.106 1.00 1.14 H new ATOM 753 N GLN A 51 12.623 -11.690 -0.233 1.00 1.10 N ATOM 754 CA GLN A 51 13.445 -12.889 -0.272 1.00 1.31 C ATOM 755 C GLN A 51 12.806 -14.045 0.502 1.00 1.39 C ATOM 756 O GLN A 51 13.015 -15.211 0.168 1.00 1.61 O ATOM 757 CB GLN A 51 14.842 -12.593 0.274 1.00 1.34 C ATOM 758 CG GLN A 51 14.857 -12.098 1.708 1.00 1.24 C ATOM 759 CD GLN A 51 16.260 -11.860 2.220 1.00 1.70 C ATOM 760 OE1 GLN A 51 16.810 -10.767 2.080 1.00 2.25 O ATOM 761 NE2 GLN A 51 16.845 -12.879 2.824 1.00 2.01 N ATOM 0 H GLN A 51 13.075 -10.884 0.200 1.00 1.10 H new ATOM 0 HA GLN A 51 13.526 -13.197 -1.314 1.00 1.31 H new ATOM 0 HB2 GLN A 51 15.445 -13.498 0.208 1.00 1.34 H new ATOM 0 HB3 GLN A 51 15.318 -11.846 -0.361 1.00 1.34 H new ATOM 0 HG2 GLN A 51 14.286 -11.172 1.776 1.00 1.24 H new ATOM 0 HG3 GLN A 51 14.359 -12.827 2.347 1.00 1.24 H new ATOM 0 HE21 GLN A 51 16.352 -13.767 2.918 1.00 2.01 H new ATOM 0 HE22 GLN A 51 17.789 -12.777 3.196 1.00 2.01 H new ATOM 770 N ASN A 52 12.027 -13.720 1.528 1.00 1.22 N ATOM 771 CA ASN A 52 11.399 -14.739 2.368 1.00 1.34 C ATOM 772 C ASN A 52 10.007 -15.109 1.859 1.00 1.34 C ATOM 773 O ASN A 52 9.515 -16.208 2.105 1.00 1.53 O ATOM 774 CB ASN A 52 11.312 -14.249 3.816 1.00 1.26 C ATOM 775 CG ASN A 52 12.584 -14.492 4.613 1.00 1.72 C ATOM 776 OD1 ASN A 52 12.535 -14.685 5.827 1.00 2.34 O ATOM 777 ND2 ASN A 52 13.728 -14.486 3.944 1.00 2.03 N ATOM 0 H ASN A 52 11.814 -12.760 1.800 1.00 1.22 H new ATOM 0 HA ASN A 52 12.021 -15.633 2.324 1.00 1.34 H new ATOM 0 HB2 ASN A 52 11.089 -13.182 3.818 1.00 1.26 H new ATOM 0 HB3 ASN A 52 10.480 -14.749 4.312 1.00 1.26 H new ATOM 0 HD21 ASN A 52 14.607 -14.645 4.436 1.00 2.03 H new ATOM 0 HD22 ASN A 52 13.729 -14.322 2.937 1.00 2.03 H new ATOM 784 N GLY A 53 9.381 -14.186 1.148 1.00 1.22 N ATOM 785 CA GLY A 53 8.068 -14.437 0.577 1.00 1.33 C ATOM 786 C GLY A 53 7.006 -13.544 1.178 1.00 0.94 C ATOM 787 O GLY A 53 5.915 -13.424 0.630 1.00 1.13 O ATOM 0 H GLY A 53 9.759 -13.259 0.953 1.00 1.22 H new ATOM 0 HA2 GLY A 53 8.106 -14.280 -0.501 1.00 1.33 H new ATOM 0 HA3 GLY A 53 7.797 -15.480 0.737 1.00 1.33 H new ATOM 791 N GLY A 54 7.359 -12.921 2.301 1.00 0.62 N ATOM 792 CA GLY A 54 6.602 -11.822 2.895 1.00 0.72 C ATOM 793 C GLY A 54 5.077 -11.923 2.883 1.00 0.50 C ATOM 794 O GLY A 54 4.454 -12.324 3.866 1.00 0.89 O ATOM 0 H GLY A 54 8.193 -13.170 2.832 1.00 0.62 H new ATOM 0 HA2 GLY A 54 6.923 -11.715 3.931 1.00 0.72 H new ATOM 0 HA3 GLY A 54 6.882 -10.904 2.378 1.00 0.72 H new ATOM 798 N LEU A 55 4.501 -11.560 1.749 1.00 0.68 N ATOM 799 CA LEU A 55 3.117 -11.108 1.651 1.00 0.60 C ATOM 800 C LEU A 55 2.056 -12.215 1.763 1.00 0.60 C ATOM 801 O LEU A 55 2.134 -13.254 1.109 1.00 0.63 O ATOM 802 CB LEU A 55 2.973 -10.352 0.317 1.00 0.64 C ATOM 803 CG LEU A 55 1.606 -9.755 -0.012 1.00 0.65 C ATOM 804 CD1 LEU A 55 0.696 -10.798 -0.629 1.00 1.38 C ATOM 805 CD2 LEU A 55 0.977 -9.141 1.230 1.00 1.19 C ATOM 0 H LEU A 55 4.988 -11.570 0.853 1.00 0.68 H new ATOM 0 HA LEU A 55 2.922 -10.469 2.512 1.00 0.60 H new ATOM 0 HB2 LEU A 55 3.704 -9.543 0.308 1.00 0.64 H new ATOM 0 HB3 LEU A 55 3.244 -11.035 -0.488 1.00 0.64 H new ATOM 0 HG LEU A 55 1.746 -8.961 -0.746 1.00 0.65 H new ATOM 0 HD11 LEU A 55 -0.271 -10.349 -0.855 1.00 1.38 H new ATOM 0 HD12 LEU A 55 1.145 -11.174 -1.548 1.00 1.38 H new ATOM 0 HD13 LEU A 55 0.559 -11.622 0.072 1.00 1.38 H new ATOM 0 HD21 LEU A 55 0.004 -8.721 0.975 1.00 1.19 H new ATOM 0 HD22 LEU A 55 0.852 -9.910 1.993 1.00 1.19 H new ATOM 0 HD23 LEU A 55 1.624 -8.352 1.613 1.00 1.19 H new ATOM 817 N PHE A 56 1.060 -11.942 2.611 1.00 0.62 N ATOM 818 CA PHE A 56 -0.242 -12.601 2.562 1.00 0.66 C ATOM 819 C PHE A 56 -1.312 -11.508 2.416 1.00 0.63 C ATOM 820 O PHE A 56 -1.480 -10.670 3.305 1.00 0.71 O ATOM 821 CB PHE A 56 -0.481 -13.431 3.827 1.00 0.78 C ATOM 822 CG PHE A 56 -1.768 -14.209 3.817 1.00 1.13 C ATOM 823 CD1 PHE A 56 -2.908 -13.698 4.417 1.00 2.02 C ATOM 824 CD2 PHE A 56 -1.834 -15.453 3.212 1.00 1.07 C ATOM 825 CE1 PHE A 56 -4.089 -14.414 4.413 1.00 2.87 C ATOM 826 CE2 PHE A 56 -3.011 -16.174 3.203 1.00 1.81 C ATOM 827 CZ PHE A 56 -4.140 -15.654 3.805 1.00 2.74 C ATOM 0 H PHE A 56 1.139 -11.250 3.357 1.00 0.62 H new ATOM 0 HA PHE A 56 -0.285 -13.288 1.717 1.00 0.66 H new ATOM 0 HB2 PHE A 56 0.350 -14.125 3.956 1.00 0.78 H new ATOM 0 HB3 PHE A 56 -0.477 -12.766 4.691 1.00 0.78 H new ATOM 0 HD1 PHE A 56 -2.872 -12.729 4.893 1.00 2.02 H new ATOM 0 HD2 PHE A 56 -0.953 -15.864 2.741 1.00 1.07 H new ATOM 0 HE1 PHE A 56 -4.971 -14.006 4.884 1.00 2.87 H new ATOM 0 HE2 PHE A 56 -3.049 -17.142 2.726 1.00 1.81 H new ATOM 0 HZ PHE A 56 -5.062 -16.216 3.801 1.00 2.74 H new ATOM 837 N ILE A 57 -2.003 -11.488 1.281 1.00 0.57 N ATOM 838 CA ILE A 57 -2.866 -10.355 0.932 1.00 0.53 C ATOM 839 C ILE A 57 -4.284 -10.464 1.472 1.00 0.58 C ATOM 840 O ILE A 57 -4.602 -11.377 2.230 1.00 0.68 O ATOM 841 CB ILE A 57 -2.938 -10.137 -0.584 1.00 0.51 C ATOM 842 CG1 ILE A 57 -2.653 -11.436 -1.338 1.00 0.53 C ATOM 843 CG2 ILE A 57 -1.981 -9.034 -1.004 1.00 0.52 C ATOM 844 CD1 ILE A 57 -2.662 -11.263 -2.833 1.00 0.61 C ATOM 0 H ILE A 57 -1.986 -12.236 0.588 1.00 0.57 H new ATOM 0 HA ILE A 57 -2.391 -9.500 1.414 1.00 0.53 H new ATOM 0 HB ILE A 57 -3.950 -9.825 -0.841 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -1.682 -11.824 -1.029 1.00 0.53 H new ATOM 0 HG13 ILE A 57 -3.398 -12.182 -1.060 1.00 0.53 H new ATOM 0 HG21 ILE A 57 -2.043 -8.890 -2.083 1.00 0.52 H new ATOM 0 HG22 ILE A 57 -2.250 -8.107 -0.498 1.00 0.52 H new ATOM 0 HG23 ILE A 57 -0.963 -9.313 -0.733 1.00 0.52 H new ATOM 0 HD11 ILE A 57 -2.453 -12.220 -3.311 1.00 0.61 H new ATOM 0 HD12 ILE A 57 -3.640 -10.904 -3.152 1.00 0.61 H new ATOM 0 HD13 ILE A 57 -1.899 -10.540 -3.120 1.00 0.61 H new ATOM 851 N MET A 58 -5.132 -9.518 1.043 1.00 0.56 N ATOM 852 CA MET A 58 -6.478 -9.370 1.588 1.00 0.61 C ATOM 853 C MET A 58 -7.298 -10.657 1.496 1.00 0.70 C ATOM 854 O MET A 58 -7.924 -11.055 2.479 1.00 0.79 O ATOM 855 CB MET A 58 -7.246 -8.188 0.958 1.00 0.75 C ATOM 856 CG MET A 58 -6.904 -7.812 -0.490 1.00 0.60 C ATOM 857 SD MET A 58 -8.351 -7.082 -1.306 1.00 0.77 S ATOM 858 CE MET A 58 -7.728 -6.635 -2.926 1.00 0.91 C ATOM 0 H MET A 58 -4.902 -8.842 0.315 1.00 0.56 H new ATOM 0 HA MET A 58 -6.338 -9.147 2.646 1.00 0.61 H new ATOM 0 HB2 MET A 58 -8.311 -8.416 1.004 1.00 0.75 H new ATOM 0 HB3 MET A 58 -7.081 -7.309 1.582 1.00 0.75 H new ATOM 0 HG2 MET A 58 -6.074 -7.105 -0.504 1.00 0.60 H new ATOM 0 HG3 MET A 58 -6.577 -8.697 -1.036 1.00 0.60 H new ATOM 0 HE1 MET A 58 -8.528 -6.180 -3.511 1.00 0.91 H new ATOM 0 HE2 MET A 58 -6.909 -5.925 -2.817 1.00 0.91 H new ATOM 0 HE3 MET A 58 -7.368 -7.528 -3.437 1.00 0.91 H new ATOM 868 N ASN A 59 -7.307 -11.317 0.340 1.00 0.78 N ATOM 869 CA ASN A 59 -8.020 -12.592 0.236 1.00 0.98 C ATOM 870 C ASN A 59 -7.102 -13.772 0.543 1.00 0.95 C ATOM 871 O ASN A 59 -7.556 -14.821 0.989 1.00 1.12 O ATOM 872 CB ASN A 59 -8.724 -12.777 -1.125 1.00 1.17 C ATOM 873 CG ASN A 59 -7.848 -12.587 -2.364 1.00 1.50 C ATOM 874 OD1 ASN A 59 -8.336 -12.133 -3.393 1.00 2.28 O ATOM 875 ND2 ASN A 59 -6.575 -12.952 -2.306 1.00 1.66 N ATOM 0 H ASN A 59 -6.845 -11.005 -0.514 1.00 0.78 H new ATOM 0 HA ASN A 59 -8.804 -12.564 0.992 1.00 0.98 H new ATOM 0 HB2 ASN A 59 -9.152 -13.779 -1.157 1.00 1.17 H new ATOM 0 HB3 ASN A 59 -9.555 -12.074 -1.180 1.00 1.17 H new ATOM 0 HD21 ASN A 59 -5.979 -12.858 -3.129 1.00 1.66 H new ATOM 0 HD22 ASN A 59 -6.191 -13.327 -1.439 1.00 1.66 H new ATOM 882 N GLY A 60 -5.809 -13.599 0.291 1.00 0.86 N ATOM 883 CA GLY A 60 -4.839 -14.630 0.623 1.00 0.96 C ATOM 884 C GLY A 60 -4.730 -15.730 -0.424 1.00 1.09 C ATOM 885 O GLY A 60 -3.788 -16.518 -0.385 1.00 1.21 O ATOM 0 H GLY A 60 -5.413 -12.762 -0.138 1.00 0.86 H new ATOM 0 HA2 GLY A 60 -3.861 -14.167 0.754 1.00 0.96 H new ATOM 0 HA3 GLY A 60 -5.110 -15.077 1.579 1.00 0.96 H new ATOM 889 N SER A 61 -5.696 -15.777 -1.348 1.00 1.15 N ATOM 890 CA SER A 61 -5.753 -16.808 -2.388 1.00 1.32 C ATOM 891 C SER A 61 -4.396 -17.018 -3.054 1.00 1.22 C ATOM 892 O SER A 61 -3.842 -18.120 -3.036 1.00 1.35 O ATOM 893 CB SER A 61 -6.786 -16.407 -3.439 1.00 1.51 C ATOM 894 OG SER A 61 -8.014 -16.042 -2.832 1.00 2.18 O ATOM 0 H SER A 61 -6.459 -15.102 -1.395 1.00 1.15 H new ATOM 0 HA SER A 61 -6.039 -17.749 -1.917 1.00 1.32 H new ATOM 0 HB2 SER A 61 -6.405 -15.573 -4.028 1.00 1.51 H new ATOM 0 HB3 SER A 61 -6.949 -17.236 -4.128 1.00 1.51 H new ATOM 0 HG SER A 61 -8.659 -15.788 -3.525 1.00 2.18 H new ATOM 900 N ARG A 62 -3.860 -15.958 -3.629 1.00 1.08 N ATOM 901 CA ARG A 62 -2.515 -15.993 -4.173 1.00 1.05 C ATOM 902 C ARG A 62 -1.557 -15.353 -3.181 1.00 1.03 C ATOM 903 O ARG A 62 -1.542 -14.132 -3.016 1.00 1.46 O ATOM 904 CB ARG A 62 -2.444 -15.276 -5.525 1.00 1.14 C ATOM 905 CG ARG A 62 -3.178 -13.945 -5.563 1.00 1.69 C ATOM 906 CD ARG A 62 -2.794 -13.131 -6.788 1.00 1.79 C ATOM 907 NE ARG A 62 -2.864 -13.917 -8.019 1.00 2.06 N ATOM 908 CZ ARG A 62 -2.777 -13.400 -9.245 1.00 2.25 C ATOM 909 NH1 ARG A 62 -2.718 -12.085 -9.420 1.00 2.23 N ATOM 910 NH2 ARG A 62 -2.773 -14.204 -10.302 1.00 2.89 N ATOM 0 H ARG A 62 -4.335 -15.061 -3.732 1.00 1.08 H new ATOM 0 HA ARG A 62 -2.230 -17.032 -4.338 1.00 1.05 H new ATOM 0 HB2 ARG A 62 -1.398 -15.109 -5.781 1.00 1.14 H new ATOM 0 HB3 ARG A 62 -2.859 -15.929 -6.292 1.00 1.14 H new ATOM 0 HG2 ARG A 62 -4.254 -14.122 -5.565 1.00 1.69 H new ATOM 0 HG3 ARG A 62 -2.950 -13.377 -4.661 1.00 1.69 H new ATOM 0 HD2 ARG A 62 -3.456 -12.269 -6.871 1.00 1.79 H new ATOM 0 HD3 ARG A 62 -1.782 -12.745 -6.663 1.00 1.79 H new ATOM 0 HE ARG A 62 -2.987 -14.926 -7.934 1.00 2.06 H new ATOM 0 HH11 ARG A 62 -2.739 -11.462 -8.613 1.00 2.23 H new ATOM 0 HH12 ARG A 62 -2.652 -11.698 -10.362 1.00 2.23 H new ATOM 0 HH21 ARG A 62 -2.836 -15.214 -10.175 1.00 2.89 H new ATOM 0 HH22 ARG A 62 -2.707 -13.811 -11.241 1.00 2.89 H new ATOM 924 N ARG A 63 -0.785 -16.172 -2.493 1.00 0.89 N ATOM 925 CA ARG A 63 0.130 -15.657 -1.493 1.00 0.87 C ATOM 926 C ARG A 63 1.302 -14.954 -2.156 1.00 0.75 C ATOM 927 O ARG A 63 1.953 -15.505 -3.043 1.00 0.75 O ATOM 928 CB ARG A 63 0.636 -16.769 -0.570 1.00 0.98 C ATOM 929 CG ARG A 63 -0.458 -17.421 0.257 1.00 1.56 C ATOM 930 CD ARG A 63 0.116 -18.345 1.316 1.00 1.54 C ATOM 931 NE ARG A 63 0.951 -17.625 2.279 1.00 2.34 N ATOM 932 CZ ARG A 63 0.965 -17.878 3.587 1.00 2.60 C ATOM 933 NH1 ARG A 63 0.191 -18.831 4.097 1.00 2.07 N ATOM 934 NH2 ARG A 63 1.749 -17.171 4.391 1.00 3.59 N ATOM 0 H ARG A 63 -0.772 -17.186 -2.606 1.00 0.89 H new ATOM 0 HA ARG A 63 -0.418 -14.938 -0.884 1.00 0.87 H new ATOM 0 HB2 ARG A 63 1.128 -17.533 -1.172 1.00 0.98 H new ATOM 0 HB3 ARG A 63 1.390 -16.357 0.101 1.00 0.98 H new ATOM 0 HG2 ARG A 63 -1.062 -16.650 0.735 1.00 1.56 H new ATOM 0 HG3 ARG A 63 -1.122 -17.985 -0.398 1.00 1.56 H new ATOM 0 HD2 ARG A 63 -0.698 -18.842 1.843 1.00 1.54 H new ATOM 0 HD3 ARG A 63 0.707 -19.124 0.835 1.00 1.54 H new ATOM 0 HE ARG A 63 1.559 -16.885 1.927 1.00 2.34 H new ATOM 0 HH11 ARG A 63 -0.419 -19.374 3.486 1.00 2.07 H new ATOM 0 HH12 ARG A 63 0.207 -19.019 5.099 1.00 2.07 H new ATOM 0 HH21 ARG A 63 2.341 -16.434 4.008 1.00 3.59 H new ATOM 0 HH22 ARG A 63 1.760 -17.365 5.392 1.00 3.59 H new ATOM 948 N ARG A 64 1.528 -13.724 -1.730 1.00 0.70 N ATOM 949 CA ARG A 64 2.661 -12.921 -2.168 1.00 0.62 C ATOM 950 C ARG A 64 2.530 -12.451 -3.621 1.00 0.57 C ATOM 951 O ARG A 64 2.835 -13.171 -4.570 1.00 0.77 O ATOM 952 CB ARG A 64 3.982 -13.664 -1.914 1.00 0.71 C ATOM 953 CG ARG A 64 5.202 -13.033 -2.567 1.00 0.77 C ATOM 954 CD ARG A 64 5.177 -11.510 -2.505 1.00 0.75 C ATOM 955 NE ARG A 64 6.209 -10.929 -3.361 1.00 1.06 N ATOM 956 CZ ARG A 64 6.278 -11.090 -4.690 1.00 1.34 C ATOM 957 NH1 ARG A 64 5.373 -11.818 -5.342 1.00 1.98 N ATOM 958 NH2 ARG A 64 7.259 -10.515 -5.370 1.00 1.56 N ATOM 0 H ARG A 64 0.923 -13.247 -1.062 1.00 0.70 H new ATOM 0 HA ARG A 64 2.666 -12.012 -1.567 1.00 0.62 H new ATOM 0 HB2 ARG A 64 4.151 -13.720 -0.839 1.00 0.71 H new ATOM 0 HB3 ARG A 64 3.882 -14.688 -2.275 1.00 0.71 H new ATOM 0 HG2 ARG A 64 6.103 -13.398 -2.075 1.00 0.77 H new ATOM 0 HG3 ARG A 64 5.257 -13.350 -3.608 1.00 0.77 H new ATOM 0 HD2 ARG A 64 4.197 -11.147 -2.815 1.00 0.75 H new ATOM 0 HD3 ARG A 64 5.328 -11.183 -1.476 1.00 0.75 H new ATOM 0 HE ARG A 64 6.929 -10.360 -2.915 1.00 1.06 H new ATOM 0 HH11 ARG A 64 4.612 -12.264 -4.830 1.00 1.98 H new ATOM 0 HH12 ARG A 64 5.441 -11.930 -6.354 1.00 1.98 H new ATOM 0 HH21 ARG A 64 7.957 -9.953 -4.882 1.00 1.56 H new ATOM 0 HH22 ARG A 64 7.317 -10.634 -6.381 1.00 1.56 H new ATOM 972 N THR A 65 2.087 -11.208 -3.754 1.00 0.44 N ATOM 973 CA THR A 65 2.121 -10.477 -5.014 1.00 0.40 C ATOM 974 C THR A 65 3.181 -9.369 -4.917 1.00 0.35 C ATOM 975 O THR A 65 3.413 -8.852 -3.825 1.00 0.33 O ATOM 976 CB THR A 65 0.727 -9.876 -5.346 1.00 0.40 C ATOM 977 OG1 THR A 65 0.823 -8.891 -6.386 1.00 0.41 O ATOM 978 CG2 THR A 65 0.093 -9.254 -4.108 1.00 0.40 C ATOM 0 H THR A 65 1.690 -10.673 -2.982 1.00 0.44 H new ATOM 0 HA THR A 65 2.381 -11.162 -5.821 1.00 0.40 H new ATOM 0 HB THR A 65 0.095 -10.693 -5.694 1.00 0.40 H new ATOM 0 HG1 THR A 65 -0.068 -8.530 -6.577 1.00 0.41 H new ATOM 0 HG21 THR A 65 -0.882 -8.841 -4.367 1.00 0.40 H new ATOM 0 HG22 THR A 65 -0.029 -10.017 -3.339 1.00 0.40 H new ATOM 0 HG23 THR A 65 0.736 -8.459 -3.731 1.00 0.40 H new ATOM 986 N PRO A 66 3.856 -9.011 -6.029 1.00 0.36 N ATOM 987 CA PRO A 66 4.966 -8.035 -6.021 1.00 0.35 C ATOM 988 C PRO A 66 4.606 -6.727 -5.328 1.00 0.27 C ATOM 989 O PRO A 66 5.235 -6.351 -4.336 1.00 0.26 O ATOM 990 CB PRO A 66 5.237 -7.787 -7.513 1.00 0.42 C ATOM 991 CG PRO A 66 4.044 -8.343 -8.215 1.00 0.44 C ATOM 992 CD PRO A 66 3.606 -9.507 -7.386 1.00 0.43 C ATOM 0 HA PRO A 66 5.825 -8.416 -5.469 1.00 0.35 H new ATOM 0 HB2 PRO A 66 5.359 -6.724 -7.721 1.00 0.42 H new ATOM 0 HB3 PRO A 66 6.153 -8.282 -7.836 1.00 0.42 H new ATOM 0 HG2 PRO A 66 3.253 -7.598 -8.296 1.00 0.44 H new ATOM 0 HG3 PRO A 66 4.294 -8.654 -9.229 1.00 0.44 H new ATOM 0 HD2 PRO A 66 2.556 -9.752 -7.546 1.00 0.43 H new ATOM 0 HD3 PRO A 66 4.181 -10.407 -7.606 1.00 0.43 H new ATOM 1000 N GLY A 67 3.581 -6.054 -5.828 1.00 0.25 N ATOM 1001 CA GLY A 67 3.126 -4.840 -5.191 1.00 0.21 C ATOM 1002 C GLY A 67 2.554 -5.135 -3.828 1.00 0.20 C ATOM 1003 O GLY A 67 2.751 -4.383 -2.879 1.00 0.23 O ATOM 0 H GLY A 67 3.059 -6.327 -6.661 1.00 0.25 H new ATOM 0 HA2 GLY A 67 3.956 -4.139 -5.099 1.00 0.21 H new ATOM 0 HA3 GLY A 67 2.370 -4.359 -5.812 1.00 0.21 H new ATOM 1007 N GLY A 68 1.886 -6.276 -3.738 1.00 0.23 N ATOM 1008 CA GLY A 68 1.283 -6.715 -2.499 1.00 0.28 C ATOM 1009 C GLY A 68 2.281 -6.805 -1.353 1.00 0.27 C ATOM 1010 O GLY A 68 1.916 -6.587 -0.202 1.00 0.30 O ATOM 0 H GLY A 68 1.750 -6.917 -4.520 1.00 0.23 H new ATOM 0 HA2 GLY A 68 0.484 -6.025 -2.225 1.00 0.28 H new ATOM 0 HA3 GLY A 68 0.823 -7.691 -2.651 1.00 0.28 H new ATOM 1014 N VAL A 69 3.541 -7.134 -1.657 1.00 0.27 N ATOM 1015 CA VAL A 69 4.562 -7.272 -0.616 1.00 0.27 C ATOM 1016 C VAL A 69 4.818 -5.928 0.046 1.00 0.24 C ATOM 1017 O VAL A 69 5.127 -5.857 1.233 1.00 0.23 O ATOM 1018 CB VAL A 69 5.894 -7.862 -1.156 1.00 0.31 C ATOM 1019 CG1 VAL A 69 6.970 -6.805 -1.348 1.00 0.64 C ATOM 1020 CG2 VAL A 69 6.395 -8.966 -0.242 1.00 0.74 C ATOM 0 H VAL A 69 3.875 -7.308 -2.605 1.00 0.27 H new ATOM 0 HA VAL A 69 4.174 -7.978 0.118 1.00 0.27 H new ATOM 0 HB VAL A 69 5.678 -8.278 -2.140 1.00 0.31 H new ATOM 0 HG11 VAL A 69 7.878 -7.275 -1.727 1.00 0.64 H new ATOM 0 HG12 VAL A 69 6.623 -6.058 -2.062 1.00 0.64 H new ATOM 0 HG13 VAL A 69 7.182 -6.324 -0.393 1.00 0.64 H new ATOM 0 HG21 VAL A 69 7.329 -9.368 -0.635 1.00 0.74 H new ATOM 0 HG22 VAL A 69 6.565 -8.563 0.756 1.00 0.74 H new ATOM 0 HG23 VAL A 69 5.651 -9.761 -0.190 1.00 0.74 H new ATOM 1024 N PHE A 70 4.691 -4.865 -0.727 1.00 0.22 N ATOM 1025 CA PHE A 70 4.756 -3.536 -0.171 1.00 0.20 C ATOM 1026 C PHE A 70 3.544 -3.296 0.721 1.00 0.20 C ATOM 1027 O PHE A 70 3.645 -2.647 1.756 1.00 0.20 O ATOM 1028 CB PHE A 70 4.835 -2.480 -1.267 1.00 0.22 C ATOM 1029 CG PHE A 70 4.808 -1.083 -0.731 1.00 0.20 C ATOM 1030 CD1 PHE A 70 3.610 -0.519 -0.332 1.00 0.23 C ATOM 1031 CD2 PHE A 70 5.971 -0.345 -0.603 1.00 0.21 C ATOM 1032 CE1 PHE A 70 3.564 0.745 0.187 1.00 0.26 C ATOM 1033 CE2 PHE A 70 5.936 0.933 -0.089 1.00 0.24 C ATOM 1034 CZ PHE A 70 4.732 1.479 0.309 1.00 0.25 C ATOM 0 H PHE A 70 4.543 -4.900 -1.736 1.00 0.22 H new ATOM 0 HA PHE A 70 5.664 -3.454 0.427 1.00 0.20 H new ATOM 0 HB2 PHE A 70 5.750 -2.626 -1.841 1.00 0.22 H new ATOM 0 HB3 PHE A 70 4.002 -2.616 -1.956 1.00 0.22 H new ATOM 0 HD1 PHE A 70 2.696 -1.086 -0.432 1.00 0.23 H new ATOM 0 HD2 PHE A 70 6.914 -0.774 -0.908 1.00 0.21 H new ATOM 0 HE1 PHE A 70 2.621 1.169 0.500 1.00 0.26 H new ATOM 0 HE2 PHE A 70 6.847 1.506 0.002 1.00 0.24 H new ATOM 0 HZ PHE A 70 4.701 2.479 0.716 1.00 0.25 H new ATOM 1044 N LEU A 71 2.388 -3.810 0.316 1.00 0.21 N ATOM 1045 CA LEU A 71 1.200 -3.689 1.149 1.00 0.24 C ATOM 1046 C LEU A 71 1.480 -4.431 2.453 1.00 0.24 C ATOM 1047 O LEU A 71 1.039 -4.024 3.525 1.00 0.26 O ATOM 1048 CB LEU A 71 -0.081 -4.278 0.516 1.00 0.31 C ATOM 1049 CG LEU A 71 -0.553 -3.781 -0.872 1.00 0.28 C ATOM 1050 CD1 LEU A 71 -1.835 -2.993 -0.739 1.00 0.32 C ATOM 1051 CD2 LEU A 71 0.481 -2.939 -1.582 1.00 0.30 C ATOM 0 H LEU A 71 2.250 -4.304 -0.565 1.00 0.21 H new ATOM 0 HA LEU A 71 1.009 -2.625 1.291 1.00 0.24 H new ATOM 0 HB2 LEU A 71 0.058 -5.357 0.445 1.00 0.31 H new ATOM 0 HB3 LEU A 71 -0.898 -4.108 1.217 1.00 0.31 H new ATOM 0 HG LEU A 71 -0.718 -4.672 -1.477 1.00 0.28 H new ATOM 0 HD11 LEU A 71 -2.155 -2.650 -1.723 1.00 0.32 H new ATOM 0 HD12 LEU A 71 -2.609 -3.627 -0.307 1.00 0.32 H new ATOM 0 HD13 LEU A 71 -1.668 -2.132 -0.091 1.00 0.32 H new ATOM 0 HD21 LEU A 71 0.090 -2.621 -2.549 1.00 0.30 H new ATOM 0 HD22 LEU A 71 0.713 -2.062 -0.978 1.00 0.30 H new ATOM 0 HD23 LEU A 71 1.387 -3.526 -1.732 1.00 0.30 H new ATOM 1063 N ASN A 72 2.241 -5.529 2.333 1.00 0.24 N ATOM 1064 CA ASN A 72 2.684 -6.302 3.490 1.00 0.27 C ATOM 1065 C ASN A 72 3.514 -5.418 4.417 1.00 0.26 C ATOM 1066 O ASN A 72 3.504 -5.591 5.631 1.00 0.34 O ATOM 1067 CB ASN A 72 3.530 -7.517 3.080 1.00 0.31 C ATOM 1068 CG ASN A 72 3.685 -8.484 4.235 1.00 0.46 C ATOM 1069 OD1 ASN A 72 2.754 -8.679 5.018 1.00 1.08 O ATOM 1070 ND2 ASN A 72 4.864 -9.061 4.373 1.00 0.67 N ATOM 0 H ASN A 72 2.561 -5.899 1.438 1.00 0.24 H new ATOM 0 HA ASN A 72 1.790 -6.661 4.000 1.00 0.27 H new ATOM 0 HB2 ASN A 72 3.060 -8.024 2.237 1.00 0.31 H new ATOM 0 HB3 ASN A 72 4.512 -7.184 2.745 1.00 0.31 H new ATOM 0 HD21 ASN A 72 5.032 -9.697 5.152 1.00 0.67 H new ATOM 0 HD22 ASN A 72 5.607 -8.871 3.700 1.00 0.67 H new ATOM 1077 N LEU A 73 4.215 -4.460 3.823 1.00 0.23 N ATOM 1078 CA LEU A 73 5.068 -3.538 4.564 1.00 0.25 C ATOM 1079 C LEU A 73 4.278 -2.700 5.543 1.00 0.36 C ATOM 1080 O LEU A 73 4.789 -2.333 6.585 1.00 0.46 O ATOM 1081 CB LEU A 73 5.829 -2.622 3.619 1.00 0.23 C ATOM 1082 CG LEU A 73 6.838 -3.333 2.738 1.00 0.20 C ATOM 1083 CD1 LEU A 73 7.521 -2.349 1.817 1.00 0.35 C ATOM 1084 CD2 LEU A 73 7.845 -4.058 3.603 1.00 0.27 C ATOM 0 H LEU A 73 4.209 -4.300 2.816 1.00 0.23 H new ATOM 0 HA LEU A 73 5.775 -4.149 5.125 1.00 0.25 H new ATOM 0 HB2 LEU A 73 5.114 -2.100 2.984 1.00 0.23 H new ATOM 0 HB3 LEU A 73 6.347 -1.864 4.206 1.00 0.23 H new ATOM 0 HG LEU A 73 6.321 -4.065 2.117 1.00 0.20 H new ATOM 0 HD11 LEU A 73 8.242 -2.876 1.192 1.00 0.35 H new ATOM 0 HD12 LEU A 73 6.777 -1.866 1.184 1.00 0.35 H new ATOM 0 HD13 LEU A 73 8.038 -1.594 2.410 1.00 0.35 H new ATOM 0 HD21 LEU A 73 8.569 -4.568 2.968 1.00 0.27 H new ATOM 0 HD22 LEU A 73 8.362 -3.340 4.239 1.00 0.27 H new ATOM 0 HD23 LEU A 73 7.330 -4.789 4.226 1.00 0.27 H new ATOM 1096 N LEU A 74 3.045 -2.368 5.203 1.00 0.41 N ATOM 1097 CA LEU A 74 2.199 -1.636 6.130 1.00 0.58 C ATOM 1098 C LEU A 74 1.915 -2.479 7.370 1.00 0.66 C ATOM 1099 O LEU A 74 1.589 -1.952 8.418 1.00 0.80 O ATOM 1100 CB LEU A 74 0.905 -1.181 5.457 1.00 0.63 C ATOM 1101 CG LEU A 74 1.095 -0.085 4.406 1.00 0.49 C ATOM 1102 CD1 LEU A 74 -0.243 0.404 3.877 1.00 1.08 C ATOM 1103 CD2 LEU A 74 1.894 1.071 4.986 1.00 0.78 C ATOM 0 H LEU A 74 2.612 -2.589 4.306 1.00 0.41 H new ATOM 0 HA LEU A 74 2.732 -0.739 6.445 1.00 0.58 H new ATOM 0 HB2 LEU A 74 0.432 -2.042 4.986 1.00 0.63 H new ATOM 0 HB3 LEU A 74 0.218 -0.819 6.222 1.00 0.63 H new ATOM 0 HG LEU A 74 1.651 -0.510 3.570 1.00 0.49 H new ATOM 0 HD11 LEU A 74 -0.077 1.182 3.132 1.00 1.08 H new ATOM 0 HD12 LEU A 74 -0.779 -0.428 3.420 1.00 1.08 H new ATOM 0 HD13 LEU A 74 -0.833 0.809 4.699 1.00 1.08 H new ATOM 0 HD21 LEU A 74 2.021 1.843 4.227 1.00 0.78 H new ATOM 0 HD22 LEU A 74 1.362 1.488 5.842 1.00 0.78 H new ATOM 0 HD23 LEU A 74 2.872 0.713 5.306 1.00 0.78 H new ATOM 1115 N LYS A 75 2.063 -3.793 7.250 1.00 0.66 N ATOM 1116 CA LYS A 75 1.955 -4.679 8.406 1.00 0.82 C ATOM 1117 C LYS A 75 3.293 -4.775 9.138 1.00 0.77 C ATOM 1118 O LYS A 75 3.358 -5.240 10.277 1.00 0.95 O ATOM 1119 CB LYS A 75 1.508 -6.084 7.990 1.00 1.04 C ATOM 1120 CG LYS A 75 -0.001 -6.279 7.916 1.00 0.81 C ATOM 1121 CD LYS A 75 -0.637 -5.558 6.735 1.00 0.71 C ATOM 1122 CE LYS A 75 -0.141 -6.088 5.395 1.00 0.70 C ATOM 1123 NZ LYS A 75 -0.026 -7.575 5.378 1.00 1.93 N ATOM 0 H LYS A 75 2.257 -4.268 6.369 1.00 0.66 H new ATOM 0 HA LYS A 75 1.205 -4.253 9.072 1.00 0.82 H new ATOM 0 HB2 LYS A 75 1.938 -6.313 7.015 1.00 1.04 H new ATOM 0 HB3 LYS A 75 1.919 -6.805 8.697 1.00 1.04 H new ATOM 0 HG2 LYS A 75 -0.221 -7.344 7.846 1.00 0.81 H new ATOM 0 HG3 LYS A 75 -0.454 -5.920 8.840 1.00 0.81 H new ATOM 0 HD2 LYS A 75 -1.720 -5.667 6.787 1.00 0.71 H new ATOM 0 HD3 LYS A 75 -0.420 -4.492 6.804 1.00 0.71 H new ATOM 0 HE2 LYS A 75 -0.824 -5.770 4.607 1.00 0.70 H new ATOM 0 HE3 LYS A 75 0.831 -5.649 5.171 1.00 0.70 H new ATOM 0 HZ1 LYS A 75 -0.257 -7.930 4.428 1.00 1.93 H new ATOM 0 HZ2 LYS A 75 0.946 -7.851 5.624 1.00 1.93 H new ATOM 0 HZ3 LYS A 75 -0.687 -7.982 6.070 1.00 1.93 H new ATOM 1137 N ASN A 76 4.357 -4.339 8.475 1.00 0.64 N ATOM 1138 CA ASN A 76 5.705 -4.439 9.026 1.00 0.69 C ATOM 1139 C ASN A 76 6.303 -3.065 9.284 1.00 0.61 C ATOM 1140 O ASN A 76 7.467 -2.957 9.660 1.00 0.79 O ATOM 1141 CB ASN A 76 6.629 -5.203 8.068 1.00 0.81 C ATOM 1142 CG ASN A 76 6.359 -6.694 8.018 1.00 1.22 C ATOM 1143 OD1 ASN A 76 5.223 -7.146 8.167 1.00 1.80 O ATOM 1144 ND2 ASN A 76 7.409 -7.473 7.809 1.00 2.12 N ATOM 0 H ASN A 76 4.313 -3.911 7.550 1.00 0.64 H new ATOM 0 HA ASN A 76 5.623 -4.977 9.970 1.00 0.69 H new ATOM 0 HB2 ASN A 76 6.520 -4.789 7.065 1.00 0.81 H new ATOM 0 HB3 ASN A 76 7.664 -5.040 8.369 1.00 0.81 H new ATOM 0 HD21 ASN A 76 7.293 -8.485 7.767 1.00 2.12 H new ATOM 0 HD22 ASN A 76 8.334 -7.061 7.690 1.00 2.12 H new ATOM 1151 N THR A 77 5.516 -2.018 9.071 1.00 0.54 N ATOM 1152 CA THR A 77 6.026 -0.666 9.196 1.00 0.60 C ATOM 1153 C THR A 77 6.241 -0.324 10.668 1.00 0.56 C ATOM 1154 O THR A 77 5.301 -0.249 11.460 1.00 0.61 O ATOM 1155 CB THR A 77 5.118 0.370 8.492 1.00 0.75 C ATOM 1156 OG1 THR A 77 5.683 1.681 8.604 1.00 0.94 O ATOM 1157 CG2 THR A 77 3.709 0.371 9.053 1.00 0.78 C ATOM 0 H THR A 77 4.531 -2.081 8.813 1.00 0.54 H new ATOM 0 HA THR A 77 6.988 -0.620 8.686 1.00 0.60 H new ATOM 0 HB THR A 77 5.057 0.083 7.442 1.00 0.75 H new ATOM 0 HG1 THR A 77 5.302 2.262 7.913 1.00 0.94 H new ATOM 0 HG21 THR A 77 3.109 1.114 8.528 1.00 0.78 H new ATOM 0 HG22 THR A 77 3.264 -0.615 8.920 1.00 0.78 H new ATOM 0 HG23 THR A 77 3.740 0.615 10.115 1.00 0.78 H new ATOM 1165 N PRO A 78 7.502 -0.123 11.045 1.00 0.63 N ATOM 1166 CA PRO A 78 7.919 -0.088 12.445 1.00 0.67 C ATOM 1167 C PRO A 78 7.483 1.184 13.181 1.00 0.70 C ATOM 1168 O PRO A 78 7.378 1.196 14.409 1.00 0.84 O ATOM 1169 CB PRO A 78 9.457 -0.188 12.356 1.00 0.92 C ATOM 1170 CG PRO A 78 9.770 -0.461 10.915 1.00 1.00 C ATOM 1171 CD PRO A 78 8.634 0.112 10.142 1.00 0.84 C ATOM 0 HA PRO A 78 7.458 -0.889 13.024 1.00 0.67 H new ATOM 0 HB2 PRO A 78 9.928 0.737 12.689 1.00 0.92 H new ATOM 0 HB3 PRO A 78 9.834 -0.986 12.995 1.00 0.92 H new ATOM 0 HG2 PRO A 78 10.714 0.001 10.625 1.00 1.00 H new ATOM 0 HG3 PRO A 78 9.869 -1.531 10.731 1.00 1.00 H new ATOM 0 HD2 PRO A 78 8.776 1.172 9.933 1.00 0.84 H new ATOM 0 HD3 PRO A 78 8.501 -0.387 9.182 1.00 0.84 H new ATOM 1179 N SER A 79 7.217 2.248 12.437 1.00 0.75 N ATOM 1180 CA SER A 79 6.926 3.541 13.045 1.00 0.96 C ATOM 1181 C SER A 79 5.478 3.997 12.825 1.00 0.91 C ATOM 1182 O SER A 79 5.172 5.179 12.981 1.00 1.06 O ATOM 1183 CB SER A 79 7.897 4.589 12.502 1.00 1.23 C ATOM 1184 OG SER A 79 9.241 4.189 12.717 1.00 1.49 O ATOM 0 H SER A 79 7.196 2.244 11.417 1.00 0.75 H new ATOM 0 HA SER A 79 7.054 3.428 14.122 1.00 0.96 H new ATOM 0 HB2 SER A 79 7.722 4.736 11.436 1.00 1.23 H new ATOM 0 HB3 SER A 79 7.715 5.547 12.989 1.00 1.23 H new ATOM 0 HG SER A 79 9.847 4.872 12.361 1.00 1.49 H new ATOM 1190 N ILE A 80 4.591 3.082 12.457 1.00 0.76 N ATOM 1191 CA ILE A 80 3.208 3.456 12.170 1.00 0.76 C ATOM 1192 C ILE A 80 2.228 2.768 13.118 1.00 0.74 C ATOM 1193 O ILE A 80 2.353 1.575 13.409 1.00 0.67 O ATOM 1194 CB ILE A 80 2.828 3.122 10.709 1.00 0.69 C ATOM 1195 CG1 ILE A 80 3.780 3.815 9.730 1.00 0.89 C ATOM 1196 CG2 ILE A 80 1.391 3.532 10.416 1.00 0.76 C ATOM 1197 CD1 ILE A 80 3.699 5.324 9.758 1.00 1.21 C ATOM 0 H ILE A 80 4.797 2.089 12.351 1.00 0.76 H new ATOM 0 HA ILE A 80 3.139 4.534 12.319 1.00 0.76 H new ATOM 0 HB ILE A 80 2.916 2.043 10.579 1.00 0.69 H new ATOM 0 HG12 ILE A 80 4.802 3.512 9.957 1.00 0.89 H new ATOM 0 HG13 ILE A 80 3.562 3.468 8.720 1.00 0.89 H new ATOM 0 HG21 ILE A 80 1.146 3.287 9.382 1.00 0.76 H new ATOM 0 HG22 ILE A 80 0.717 2.997 11.085 1.00 0.76 H new ATOM 0 HG23 ILE A 80 1.280 4.605 10.571 1.00 0.76 H new ATOM 0 HD11 ILE A 80 4.403 5.740 9.037 1.00 1.21 H new ATOM 0 HD12 ILE A 80 2.688 5.639 9.500 1.00 1.21 H new ATOM 0 HD13 ILE A 80 3.948 5.683 10.757 1.00 1.21 H new ATOM 1204 N SER A 81 1.266 3.538 13.611 1.00 0.90 N ATOM 1205 CA SER A 81 0.191 3.010 14.437 1.00 1.01 C ATOM 1206 C SER A 81 -0.831 2.270 13.571 1.00 0.88 C ATOM 1207 O SER A 81 -1.055 2.613 12.406 1.00 0.74 O ATOM 1208 CB SER A 81 -0.478 4.160 15.187 1.00 1.26 C ATOM 1209 OG SER A 81 -0.816 5.209 14.295 1.00 1.79 O ATOM 0 H SER A 81 1.210 4.544 13.449 1.00 0.90 H new ATOM 0 HA SER A 81 0.602 2.302 15.157 1.00 1.01 H new ATOM 0 HB2 SER A 81 -1.376 3.800 15.690 1.00 1.26 H new ATOM 0 HB3 SER A 81 0.192 4.535 15.961 1.00 1.26 H new ATOM 0 HG SER A 81 -1.245 5.936 14.793 1.00 1.79 H new ATOM 1215 N GLU A 82 -1.445 1.253 14.175 1.00 0.99 N ATOM 1216 CA GLU A 82 -2.288 0.287 13.471 1.00 0.96 C ATOM 1217 C GLU A 82 -3.441 0.941 12.719 1.00 0.84 C ATOM 1218 O GLU A 82 -3.844 0.454 11.660 1.00 0.75 O ATOM 1219 CB GLU A 82 -2.860 -0.749 14.446 1.00 1.22 C ATOM 1220 CG GLU A 82 -1.825 -1.396 15.355 1.00 1.50 C ATOM 1221 CD GLU A 82 -1.550 -0.581 16.602 1.00 2.29 C ATOM 1222 OE1 GLU A 82 -2.213 -0.814 17.635 1.00 2.89 O ATOM 1223 OE2 GLU A 82 -0.655 0.290 16.556 1.00 2.75 O ATOM 0 H GLU A 82 -1.370 1.075 15.177 1.00 0.99 H new ATOM 0 HA GLU A 82 -1.640 -0.198 12.741 1.00 0.96 H new ATOM 0 HB2 GLU A 82 -3.619 -0.268 15.064 1.00 1.22 H new ATOM 0 HB3 GLU A 82 -3.362 -1.529 13.874 1.00 1.22 H new ATOM 0 HG2 GLU A 82 -2.171 -2.388 15.644 1.00 1.50 H new ATOM 0 HG3 GLU A 82 -0.895 -1.531 14.802 1.00 1.50 H new ATOM 1230 N GLU A 83 -3.989 2.019 13.268 1.00 0.90 N ATOM 1231 CA GLU A 83 -5.112 2.697 12.637 1.00 0.87 C ATOM 1232 C GLU A 83 -4.682 3.412 11.364 1.00 0.74 C ATOM 1233 O GLU A 83 -5.376 3.343 10.352 1.00 0.73 O ATOM 1234 CB GLU A 83 -5.778 3.676 13.602 1.00 1.05 C ATOM 1235 CG GLU A 83 -6.768 4.606 12.921 1.00 1.30 C ATOM 1236 CD GLU A 83 -7.821 5.134 13.860 1.00 1.60 C ATOM 1237 OE1 GLU A 83 -7.460 5.898 14.775 1.00 1.98 O ATOM 1238 OE2 GLU A 83 -9.009 4.794 13.689 1.00 2.06 O ATOM 0 H GLU A 83 -3.676 2.439 14.143 1.00 0.90 H new ATOM 0 HA GLU A 83 -5.843 1.935 12.366 1.00 0.87 H new ATOM 0 HB2 GLU A 83 -6.293 3.114 14.381 1.00 1.05 H new ATOM 0 HB3 GLU A 83 -5.009 4.271 14.094 1.00 1.05 H new ATOM 0 HG2 GLU A 83 -6.227 5.444 12.482 1.00 1.30 H new ATOM 0 HG3 GLU A 83 -7.253 4.075 12.102 1.00 1.30 H new ATOM 1245 N GLN A 84 -3.536 4.080 11.408 1.00 0.73 N ATOM 1246 CA GLN A 84 -3.008 4.747 10.224 1.00 0.68 C ATOM 1247 C GLN A 84 -2.749 3.732 9.124 1.00 0.56 C ATOM 1248 O GLN A 84 -2.920 4.023 7.944 1.00 0.59 O ATOM 1249 CB GLN A 84 -1.726 5.508 10.542 1.00 0.76 C ATOM 1250 CG GLN A 84 -1.955 6.802 11.302 1.00 1.11 C ATOM 1251 CD GLN A 84 -0.665 7.543 11.577 1.00 1.60 C ATOM 1252 OE1 GLN A 84 -0.636 8.774 11.626 1.00 2.31 O ATOM 1253 NE2 GLN A 84 0.413 6.799 11.765 1.00 2.28 N ATOM 0 H GLN A 84 -2.958 4.174 12.243 1.00 0.73 H new ATOM 0 HA GLN A 84 -3.753 5.466 9.884 1.00 0.68 H new ATOM 0 HB2 GLN A 84 -1.068 4.865 11.127 1.00 0.76 H new ATOM 0 HB3 GLN A 84 -1.206 5.732 9.610 1.00 0.76 H new ATOM 0 HG2 GLN A 84 -2.625 7.443 10.729 1.00 1.11 H new ATOM 0 HG3 GLN A 84 -2.454 6.583 12.246 1.00 1.11 H new ATOM 0 HE21 GLN A 84 0.346 5.782 11.716 1.00 2.28 H new ATOM 0 HE22 GLN A 84 1.311 7.242 11.959 1.00 2.28 H new ATOM 1262 N ILE A 85 -2.340 2.536 9.524 1.00 0.50 N ATOM 1263 CA ILE A 85 -2.156 1.438 8.588 1.00 0.45 C ATOM 1264 C ILE A 85 -3.477 1.112 7.898 1.00 0.43 C ATOM 1265 O ILE A 85 -3.551 1.064 6.670 1.00 0.43 O ATOM 1266 CB ILE A 85 -1.615 0.187 9.307 1.00 0.46 C ATOM 1267 CG1 ILE A 85 -0.278 0.513 9.971 1.00 0.51 C ATOM 1268 CG2 ILE A 85 -1.465 -0.975 8.334 1.00 0.47 C ATOM 1269 CD1 ILE A 85 0.346 -0.650 10.702 1.00 1.41 C ATOM 0 H ILE A 85 -2.129 2.302 10.494 1.00 0.50 H new ATOM 0 HA ILE A 85 -1.426 1.746 7.839 1.00 0.45 H new ATOM 0 HB ILE A 85 -2.328 -0.113 10.075 1.00 0.46 H new ATOM 0 HG12 ILE A 85 0.418 0.865 9.209 1.00 0.51 H new ATOM 0 HG13 ILE A 85 -0.424 1.334 10.673 1.00 0.51 H new ATOM 0 HG21 ILE A 85 -1.082 -1.847 8.865 1.00 0.47 H new ATOM 0 HG22 ILE A 85 -2.436 -1.213 7.899 1.00 0.47 H new ATOM 0 HG23 ILE A 85 -0.770 -0.698 7.541 1.00 0.47 H new ATOM 0 HD11 ILE A 85 1.291 -0.336 11.145 1.00 1.41 H new ATOM 0 HD12 ILE A 85 -0.328 -0.989 11.488 1.00 1.41 H new ATOM 0 HD13 ILE A 85 0.526 -1.466 10.002 1.00 1.41 H new ATOM 1276 N LYS A 86 -4.521 0.923 8.703 1.00 0.47 N ATOM 1277 CA LYS A 86 -5.878 0.723 8.195 1.00 0.50 C ATOM 1278 C LYS A 86 -6.275 1.865 7.270 1.00 0.41 C ATOM 1279 O LYS A 86 -6.864 1.654 6.207 1.00 0.47 O ATOM 1280 CB LYS A 86 -6.864 0.650 9.368 1.00 0.59 C ATOM 1281 CG LYS A 86 -8.324 0.845 8.977 1.00 0.71 C ATOM 1282 CD LYS A 86 -9.196 1.118 10.194 1.00 0.92 C ATOM 1283 CE LYS A 86 -8.852 2.451 10.847 1.00 1.90 C ATOM 1284 NZ LYS A 86 -9.617 2.666 12.104 1.00 2.45 N ATOM 0 H LYS A 86 -4.452 0.904 9.720 1.00 0.47 H new ATOM 0 HA LYS A 86 -5.905 -0.211 7.634 1.00 0.50 H new ATOM 0 HB2 LYS A 86 -6.758 -0.319 9.856 1.00 0.59 H new ATOM 0 HB3 LYS A 86 -6.593 1.409 10.102 1.00 0.59 H new ATOM 0 HG2 LYS A 86 -8.406 1.675 8.276 1.00 0.71 H new ATOM 0 HG3 LYS A 86 -8.686 -0.045 8.461 1.00 0.71 H new ATOM 0 HD2 LYS A 86 -10.245 1.118 9.897 1.00 0.92 H new ATOM 0 HD3 LYS A 86 -9.070 0.314 10.919 1.00 0.92 H new ATOM 0 HE2 LYS A 86 -7.784 2.485 11.062 1.00 1.90 H new ATOM 0 HE3 LYS A 86 -9.063 3.262 10.150 1.00 1.90 H new ATOM 0 HZ1 LYS A 86 -9.459 3.636 12.445 1.00 2.45 H new ATOM 0 HZ2 LYS A 86 -10.631 2.524 11.922 1.00 2.45 H new ATOM 0 HZ3 LYS A 86 -9.297 1.989 12.825 1.00 2.45 H new ATOM 1298 N ASP A 87 -5.930 3.072 7.686 1.00 0.34 N ATOM 1299 CA ASP A 87 -6.313 4.279 6.975 1.00 0.31 C ATOM 1300 C ASP A 87 -5.740 4.307 5.560 1.00 0.29 C ATOM 1301 O ASP A 87 -6.392 4.779 4.627 1.00 0.35 O ATOM 1302 CB ASP A 87 -5.860 5.511 7.762 1.00 0.34 C ATOM 1303 CG ASP A 87 -6.156 6.812 7.044 1.00 1.00 C ATOM 1304 OD1 ASP A 87 -7.322 7.256 7.071 1.00 1.09 O ATOM 1305 OD2 ASP A 87 -5.230 7.391 6.439 1.00 1.70 O ATOM 0 H ASP A 87 -5.377 3.242 8.526 1.00 0.34 H new ATOM 0 HA ASP A 87 -7.399 4.288 6.885 1.00 0.31 H new ATOM 0 HB2 ASP A 87 -6.355 5.517 8.733 1.00 0.34 H new ATOM 0 HB3 ASP A 87 -4.789 5.442 7.950 1.00 0.34 H new ATOM 1310 N ILE A 88 -4.531 3.787 5.400 1.00 0.26 N ATOM 1311 CA ILE A 88 -3.870 3.800 4.104 1.00 0.27 C ATOM 1312 C ILE A 88 -4.521 2.834 3.111 1.00 0.31 C ATOM 1313 O ILE A 88 -5.203 3.256 2.183 1.00 0.36 O ATOM 1314 CB ILE A 88 -2.368 3.457 4.217 1.00 0.28 C ATOM 1315 CG1 ILE A 88 -1.674 4.401 5.200 1.00 0.36 C ATOM 1316 CG2 ILE A 88 -1.706 3.543 2.846 1.00 0.38 C ATOM 1317 CD1 ILE A 88 -0.219 4.065 5.445 1.00 0.42 C ATOM 0 H ILE A 88 -3.991 3.353 6.148 1.00 0.26 H new ATOM 0 HA ILE A 88 -3.979 4.819 3.732 1.00 0.27 H new ATOM 0 HB ILE A 88 -2.272 2.438 4.592 1.00 0.28 H new ATOM 0 HG12 ILE A 88 -1.743 5.420 4.821 1.00 0.36 H new ATOM 0 HG13 ILE A 88 -2.208 4.378 6.150 1.00 0.36 H new ATOM 0 HG21 ILE A 88 -0.647 3.299 2.937 1.00 0.38 H new ATOM 0 HG22 ILE A 88 -2.184 2.837 2.166 1.00 0.38 H new ATOM 0 HG23 ILE A 88 -1.813 4.554 2.453 1.00 0.38 H new ATOM 0 HD11 ILE A 88 0.205 4.778 6.152 1.00 0.42 H new ATOM 0 HD12 ILE A 88 -0.142 3.058 5.855 1.00 0.42 H new ATOM 0 HD13 ILE A 88 0.330 4.117 4.505 1.00 0.42 H new ATOM 1324 N PHE A 89 -4.331 1.535 3.316 1.00 0.33 N ATOM 1325 CA PHE A 89 -4.662 0.563 2.275 1.00 0.41 C ATOM 1326 C PHE A 89 -5.963 -0.189 2.533 1.00 0.44 C ATOM 1327 O PHE A 89 -6.552 -0.744 1.604 1.00 0.52 O ATOM 1328 CB PHE A 89 -3.499 -0.422 2.052 1.00 0.45 C ATOM 1329 CG PHE A 89 -3.129 -1.306 3.224 1.00 0.32 C ATOM 1330 CD1 PHE A 89 -2.311 -2.416 3.082 1.00 0.57 C ATOM 1331 CD2 PHE A 89 -3.621 -1.012 4.485 1.00 0.56 C ATOM 1332 CE1 PHE A 89 -1.992 -3.206 4.167 1.00 0.75 C ATOM 1333 CE2 PHE A 89 -3.307 -1.801 5.570 1.00 0.49 C ATOM 1334 CZ PHE A 89 -2.408 -2.956 5.342 1.00 0.51 C ATOM 0 H PHE A 89 -3.957 1.134 4.176 1.00 0.33 H new ATOM 0 HA PHE A 89 -4.820 1.141 1.365 1.00 0.41 H new ATOM 0 HB2 PHE A 89 -3.752 -1.063 1.208 1.00 0.45 H new ATOM 0 HB3 PHE A 89 -2.617 0.151 1.765 1.00 0.45 H new ATOM 0 HD1 PHE A 89 -1.918 -2.666 2.108 1.00 0.57 H new ATOM 0 HD2 PHE A 89 -4.260 -0.152 4.620 1.00 0.56 H new ATOM 0 HE1 PHE A 89 -1.364 -4.071 4.012 1.00 0.75 H new ATOM 0 HE2 PHE A 89 -3.702 -1.585 6.552 1.00 0.49 H new ATOM 0 HZ PHE A 89 -2.108 -3.582 6.169 1.00 0.51 H new ATOM 1344 N TYR A 90 -6.427 -0.189 3.771 1.00 0.44 N ATOM 1345 CA TYR A 90 -7.610 -0.957 4.127 1.00 0.53 C ATOM 1346 C TYR A 90 -8.876 -0.245 3.655 1.00 0.56 C ATOM 1347 O TYR A 90 -9.808 -0.877 3.159 1.00 0.71 O ATOM 1348 CB TYR A 90 -7.646 -1.191 5.638 1.00 0.56 C ATOM 1349 CG TYR A 90 -8.821 -2.016 6.109 1.00 0.70 C ATOM 1350 CD1 TYR A 90 -9.795 -1.485 6.951 1.00 0.78 C ATOM 1351 CD2 TYR A 90 -8.946 -3.335 5.708 1.00 0.77 C ATOM 1352 CE1 TYR A 90 -10.859 -2.259 7.376 1.00 0.93 C ATOM 1353 CE2 TYR A 90 -10.004 -4.111 6.122 1.00 0.91 C ATOM 1354 CZ TYR A 90 -10.999 -3.497 6.988 1.00 0.96 C ATOM 1355 OH TYR A 90 -12.009 -4.350 7.387 1.00 1.13 O ATOM 0 H TYR A 90 -6.007 0.330 4.542 1.00 0.44 H new ATOM 0 HA TYR A 90 -7.565 -1.925 3.627 1.00 0.53 H new ATOM 0 HB2 TYR A 90 -6.724 -1.687 5.940 1.00 0.56 H new ATOM 0 HB3 TYR A 90 -7.668 -0.226 6.143 1.00 0.56 H new ATOM 0 HD1 TYR A 90 -9.718 -0.458 7.275 1.00 0.78 H new ATOM 0 HD2 TYR A 90 -8.198 -3.763 5.057 1.00 0.77 H new ATOM 0 HE1 TYR A 90 -11.591 -1.829 8.044 1.00 0.93 H new ATOM 0 HE2 TYR A 90 -10.093 -5.142 5.814 1.00 0.91 H new ATOM 0 HH TYR A 90 -11.891 -5.221 6.955 1.00 1.13 H new ATOM 1365 N ILE A 91 -8.888 1.078 3.776 1.00 0.48 N ATOM 1366 CA ILE A 91 -10.046 1.873 3.371 1.00 0.53 C ATOM 1367 C ILE A 91 -10.219 1.848 1.849 1.00 0.61 C ATOM 1368 O ILE A 91 -11.288 2.155 1.323 1.00 0.86 O ATOM 1369 CB ILE A 91 -9.928 3.335 3.867 1.00 0.50 C ATOM 1370 CG1 ILE A 91 -9.720 3.367 5.386 1.00 0.47 C ATOM 1371 CG2 ILE A 91 -11.173 4.132 3.495 1.00 0.60 C ATOM 1372 CD1 ILE A 91 -9.649 4.766 5.957 1.00 0.51 C ATOM 0 H ILE A 91 -8.112 1.623 4.150 1.00 0.48 H new ATOM 0 HA ILE A 91 -10.926 1.425 3.833 1.00 0.53 H new ATOM 0 HB ILE A 91 -9.065 3.791 3.382 1.00 0.50 H new ATOM 0 HG12 ILE A 91 -10.536 2.828 5.868 1.00 0.47 H new ATOM 0 HG13 ILE A 91 -8.799 2.837 5.630 1.00 0.47 H new ATOM 0 HG21 ILE A 91 -11.070 5.156 3.853 1.00 0.60 H new ATOM 0 HG22 ILE A 91 -11.292 4.136 2.412 1.00 0.60 H new ATOM 0 HG23 ILE A 91 -12.049 3.674 3.954 1.00 0.60 H new ATOM 0 HD11 ILE A 91 -9.501 4.712 7.036 1.00 0.51 H new ATOM 0 HD12 ILE A 91 -8.816 5.302 5.503 1.00 0.51 H new ATOM 0 HD13 ILE A 91 -10.579 5.293 5.745 1.00 0.51 H new