USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 585 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 Single : A 176 THR OG1 : rot 29:sc= 0.15 USER MOD Single : A 187 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 ASN : amide:sc= -0.0341 X(o=-0.034,f=0) USER MOD Single : A 189 ASN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 192 ASN : amide:sc= 1.09 K(o=1.1,f=-0.037) USER MOD Single : A 194 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.1) USER MOD Single : A 199 GLN : amide:sc= -0.573 K(o=-0.57,f=0) USER MOD Single : A 201 MET CE :methyl -157:sc= -0.387 (180deg=-2.08) USER MOD Single : A 205 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 SER OG : rot 180:sc= 0 USER MOD Single : B 176 THR OG1 : rot 23:sc= 0.135 USER MOD Single : B 187 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 188 ASN : amide:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : B 189 ASN : amide:sc=-0.00124 X(o=-0.0012,f=0.0042) USER MOD Single : B 192 ASN : amide:sc= 0.973 K(o=0.97,f=-0.03) USER MOD Single : B 194 GLN : amide:sc= -0.0953 K(o=-0.095,f=-1) USER MOD Single : B 199 GLN : amide:sc= -0.559 K(o=-0.56,f=0) USER MOD Single : B 201 MET CE :methyl -160:sc= -0.41 (180deg=-2.01) USER MOD Single : B 205 GLN : amide:sc=-0.00674 K(o=-0.0067,f=-0.97) USER MOD Single : B 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD Single : B 212 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N THR A 176 10.033 0.690 -5.762 1.00 0.23 N ATOM 53 CA THR A 176 8.917 0.166 -6.528 1.00 0.24 C ATOM 54 C THR A 176 7.969 -0.612 -5.626 1.00 0.20 C ATOM 55 O THR A 176 8.397 -1.422 -4.803 1.00 0.21 O ATOM 56 CB THR A 176 9.400 -0.741 -7.671 1.00 0.31 C ATOM 57 OG1 THR A 176 10.379 -0.050 -8.458 1.00 0.34 O ATOM 58 CG2 THR A 176 8.236 -1.161 -8.556 1.00 0.37 C ATOM 0 HA THR A 176 8.388 1.016 -6.960 1.00 0.24 H new ATOM 0 HB THR A 176 9.846 -1.636 -7.236 1.00 0.31 H new ATOM 0 HG1 THR A 176 10.852 0.598 -7.896 1.00 0.34 H new ATOM 0 HG21 THR A 176 8.602 -1.802 -9.358 1.00 0.37 H new ATOM 0 HG22 THR A 176 7.504 -1.707 -7.960 1.00 0.37 H new ATOM 0 HG23 THR A 176 7.767 -0.275 -8.985 1.00 0.37 H new ATOM 66 N VAL A 177 6.684 -0.353 -5.785 1.00 0.17 N ATOM 67 CA VAL A 177 5.663 -0.997 -4.986 1.00 0.14 C ATOM 68 C VAL A 177 4.877 -1.990 -5.833 1.00 0.13 C ATOM 69 O VAL A 177 4.448 -1.659 -6.938 1.00 0.14 O ATOM 70 CB VAL A 177 4.700 0.051 -4.396 1.00 0.14 C ATOM 71 CG1 VAL A 177 3.532 -0.612 -3.695 1.00 0.14 C ATOM 72 CG2 VAL A 177 5.438 0.965 -3.438 1.00 0.19 C ATOM 0 H VAL A 177 6.321 0.309 -6.471 1.00 0.17 H new ATOM 0 HA VAL A 177 6.153 -1.529 -4.171 1.00 0.14 H new ATOM 0 HB VAL A 177 4.306 0.647 -5.219 1.00 0.14 H new ATOM 0 HG11 VAL A 177 2.870 0.153 -3.289 1.00 0.14 H new ATOM 0 HG12 VAL A 177 2.982 -1.227 -4.407 1.00 0.14 H new ATOM 0 HG13 VAL A 177 3.903 -1.239 -2.884 1.00 0.14 H new ATOM 0 HG21 VAL A 177 4.745 1.700 -3.029 1.00 0.19 H new ATOM 0 HG22 VAL A 177 5.862 0.375 -2.625 1.00 0.19 H new ATOM 0 HG23 VAL A 177 6.239 1.478 -3.969 1.00 0.19 H new ATOM 82 N PRO A 178 4.695 -3.226 -5.344 1.00 0.13 N ATOM 83 CA PRO A 178 3.887 -4.219 -6.045 1.00 0.13 C ATOM 84 C PRO A 178 2.397 -3.918 -5.901 1.00 0.12 C ATOM 85 O PRO A 178 1.727 -4.407 -4.994 1.00 0.11 O ATOM 86 CB PRO A 178 4.249 -5.525 -5.333 1.00 0.13 C ATOM 87 CG PRO A 178 4.652 -5.113 -3.960 1.00 0.13 C ATOM 88 CD PRO A 178 5.268 -3.747 -4.095 1.00 0.13 C ATOM 0 HA PRO A 178 4.079 -4.244 -7.118 1.00 0.13 H new ATOM 0 HB2 PRO A 178 3.401 -6.209 -5.307 1.00 0.13 H new ATOM 0 HB3 PRO A 178 5.061 -6.042 -5.845 1.00 0.13 H new ATOM 0 HG2 PRO A 178 3.790 -5.087 -3.293 1.00 0.13 H new ATOM 0 HG3 PRO A 178 5.364 -5.821 -3.534 1.00 0.13 H new ATOM 0 HD2 PRO A 178 5.020 -3.111 -3.245 1.00 0.13 H new ATOM 0 HD3 PRO A 178 6.355 -3.802 -4.146 1.00 0.13 H new ATOM 96 N TRP A 179 1.888 -3.136 -6.835 1.00 0.14 N ATOM 97 CA TRP A 179 0.505 -2.689 -6.790 1.00 0.14 C ATOM 98 C TRP A 179 -0.465 -3.818 -7.107 1.00 0.13 C ATOM 99 O TRP A 179 -1.593 -3.819 -6.626 1.00 0.15 O ATOM 100 CB TRP A 179 0.286 -1.518 -7.744 1.00 0.17 C ATOM 101 CG TRP A 179 1.064 -0.299 -7.357 1.00 0.15 C ATOM 102 CD1 TRP A 179 2.109 0.257 -8.032 1.00 0.16 C ATOM 103 CD2 TRP A 179 0.866 0.505 -6.191 1.00 0.14 C ATOM 104 NE1 TRP A 179 2.569 1.363 -7.360 1.00 0.15 N ATOM 105 CE2 TRP A 179 1.821 1.537 -6.227 1.00 0.15 C ATOM 106 CE3 TRP A 179 -0.029 0.456 -5.121 1.00 0.16 C ATOM 107 CZ2 TRP A 179 1.906 2.509 -5.235 1.00 0.16 C ATOM 108 CZ3 TRP A 179 0.055 1.418 -4.137 1.00 0.18 C ATOM 109 CH2 TRP A 179 1.016 2.436 -4.200 1.00 0.18 C ATOM 0 H TRP A 179 2.414 -2.795 -7.639 1.00 0.14 H new ATOM 0 HA TRP A 179 0.304 -2.357 -5.771 1.00 0.14 H new ATOM 0 HB2 TRP A 179 0.570 -1.819 -8.752 1.00 0.17 H new ATOM 0 HB3 TRP A 179 -0.775 -1.272 -7.772 1.00 0.17 H new ATOM 0 HD1 TRP A 179 2.516 -0.117 -8.960 1.00 0.16 H new ATOM 0 HE1 TRP A 179 3.342 1.958 -7.657 1.00 0.15 H new ATOM 0 HE3 TRP A 179 -0.775 -0.323 -5.065 1.00 0.16 H new ATOM 0 HZ2 TRP A 179 2.648 3.292 -5.281 1.00 0.16 H new ATOM 0 HZ3 TRP A 179 -0.631 1.387 -3.304 1.00 0.18 H new ATOM 0 HH2 TRP A 179 1.054 3.177 -3.416 1.00 0.18 H new ATOM 120 N ASP A 180 -0.026 -4.779 -7.900 1.00 0.13 N ATOM 121 CA ASP A 180 -0.875 -5.914 -8.249 1.00 0.14 C ATOM 122 C ASP A 180 -1.048 -6.840 -7.051 1.00 0.12 C ATOM 123 O ASP A 180 -2.162 -7.266 -6.729 1.00 0.12 O ATOM 124 CB ASP A 180 -0.294 -6.682 -9.438 1.00 0.19 C ATOM 125 CG ASP A 180 -1.001 -8.000 -9.687 1.00 1.21 C ATOM 126 OD1 ASP A 180 -2.138 -7.982 -10.206 1.00 1.81 O ATOM 127 OD2 ASP A 180 -0.414 -9.059 -9.375 1.00 2.10 O ATOM 0 H ASP A 180 0.906 -4.801 -8.314 1.00 0.13 H new ATOM 0 HA ASP A 180 -1.854 -5.531 -8.536 1.00 0.14 H new ATOM 0 HB2 ASP A 180 -0.362 -6.063 -10.333 1.00 0.19 H new ATOM 0 HB3 ASP A 180 0.765 -6.870 -9.261 1.00 0.19 H new ATOM 132 N ASP A 181 0.056 -7.128 -6.378 1.00 0.11 N ATOM 133 CA ASP A 181 0.032 -8.007 -5.217 1.00 0.12 C ATOM 134 C ASP A 181 -0.666 -7.326 -4.053 1.00 0.11 C ATOM 135 O ASP A 181 -1.381 -7.968 -3.280 1.00 0.13 O ATOM 136 CB ASP A 181 1.450 -8.422 -4.818 1.00 0.16 C ATOM 137 CG ASP A 181 2.139 -9.242 -5.889 1.00 0.23 C ATOM 138 OD1 ASP A 181 1.949 -10.476 -5.918 1.00 1.02 O ATOM 139 OD2 ASP A 181 2.872 -8.656 -6.711 1.00 0.82 O ATOM 0 H ASP A 181 0.980 -6.766 -6.615 1.00 0.11 H new ATOM 0 HA ASP A 181 -0.525 -8.906 -5.482 1.00 0.12 H new ATOM 0 HB2 ASP A 181 2.041 -7.530 -4.612 1.00 0.16 H new ATOM 0 HB3 ASP A 181 1.410 -8.998 -3.894 1.00 0.16 H new ATOM 144 N ILE A 182 -0.471 -6.018 -3.940 1.00 0.11 N ATOM 145 CA ILE A 182 -1.152 -5.243 -2.921 1.00 0.14 C ATOM 146 C ILE A 182 -2.646 -5.222 -3.191 1.00 0.13 C ATOM 147 O ILE A 182 -3.442 -5.421 -2.279 1.00 0.13 O ATOM 148 CB ILE A 182 -0.605 -3.802 -2.825 1.00 0.17 C ATOM 149 CG1 ILE A 182 0.785 -3.817 -2.194 1.00 0.17 C ATOM 150 CG2 ILE A 182 -1.539 -2.912 -2.021 1.00 0.26 C ATOM 151 CD1 ILE A 182 1.391 -2.446 -2.038 1.00 0.20 C ATOM 0 H ILE A 182 0.151 -5.477 -4.541 1.00 0.11 H new ATOM 0 HA ILE A 182 -0.964 -5.726 -1.962 1.00 0.14 H new ATOM 0 HB ILE A 182 -0.538 -3.393 -3.833 1.00 0.17 H new ATOM 0 HG12 ILE A 182 0.725 -4.292 -1.215 1.00 0.17 H new ATOM 0 HG13 ILE A 182 1.446 -4.430 -2.806 1.00 0.17 H new ATOM 0 HG21 ILE A 182 -1.127 -1.904 -1.971 1.00 0.26 H new ATOM 0 HG22 ILE A 182 -2.516 -2.881 -2.502 1.00 0.26 H new ATOM 0 HG23 ILE A 182 -1.644 -3.312 -1.012 1.00 0.26 H new ATOM 0 HD11 ILE A 182 2.378 -2.534 -1.583 1.00 0.20 H new ATOM 0 HD12 ILE A 182 1.483 -1.975 -3.017 1.00 0.20 H new ATOM 0 HD13 ILE A 182 0.751 -1.836 -1.401 1.00 0.20 H new ATOM 163 N GLU A 183 -3.030 -5.013 -4.447 1.00 0.14 N ATOM 164 CA GLU A 183 -4.436 -5.039 -4.823 1.00 0.15 C ATOM 165 C GLU A 183 -5.056 -6.379 -4.468 1.00 0.14 C ATOM 166 O GLU A 183 -6.205 -6.447 -4.045 1.00 0.14 O ATOM 167 CB GLU A 183 -4.606 -4.776 -6.321 1.00 0.18 C ATOM 168 CG GLU A 183 -6.060 -4.681 -6.756 1.00 0.27 C ATOM 169 CD GLU A 183 -6.211 -4.471 -8.245 1.00 0.34 C ATOM 170 OE1 GLU A 183 -6.006 -3.332 -8.710 1.00 1.06 O ATOM 171 OE2 GLU A 183 -6.547 -5.439 -8.958 1.00 1.09 O ATOM 0 H GLU A 183 -2.389 -4.825 -5.217 1.00 0.14 H new ATOM 0 HA GLU A 183 -4.945 -4.250 -4.269 1.00 0.15 H new ATOM 0 HB2 GLU A 183 -4.096 -3.848 -6.580 1.00 0.18 H new ATOM 0 HB3 GLU A 183 -4.119 -5.575 -6.880 1.00 0.18 H new ATOM 0 HG2 GLU A 183 -6.582 -5.593 -6.467 1.00 0.27 H new ATOM 0 HG3 GLU A 183 -6.540 -3.858 -6.227 1.00 0.27 H new ATOM 178 N ALA A 184 -4.284 -7.447 -4.627 1.00 0.13 N ATOM 179 CA ALA A 184 -4.754 -8.780 -4.291 1.00 0.13 C ATOM 180 C ALA A 184 -4.964 -8.912 -2.790 1.00 0.13 C ATOM 181 O ALA A 184 -5.925 -9.538 -2.336 1.00 0.13 O ATOM 182 CB ALA A 184 -3.765 -9.824 -4.781 1.00 0.15 C ATOM 0 H ALA A 184 -3.330 -7.413 -4.987 1.00 0.13 H new ATOM 0 HA ALA A 184 -5.711 -8.944 -4.786 1.00 0.13 H new ATOM 0 HB1 ALA A 184 -4.128 -10.819 -4.523 1.00 0.15 H new ATOM 0 HB2 ALA A 184 -3.659 -9.745 -5.863 1.00 0.15 H new ATOM 0 HB3 ALA A 184 -2.797 -9.658 -4.309 1.00 0.15 H new ATOM 188 N LEU A 185 -4.082 -8.282 -2.024 1.00 0.12 N ATOM 189 CA LEU A 185 -4.163 -8.333 -0.573 1.00 0.13 C ATOM 190 C LEU A 185 -5.369 -7.550 -0.085 1.00 0.11 C ATOM 191 O LEU A 185 -6.086 -7.992 0.806 1.00 0.12 O ATOM 192 CB LEU A 185 -2.890 -7.773 0.059 1.00 0.14 C ATOM 193 CG LEU A 185 -2.932 -7.625 1.581 1.00 0.15 C ATOM 194 CD1 LEU A 185 -3.124 -8.975 2.255 1.00 0.16 C ATOM 195 CD2 LEU A 185 -1.666 -6.955 2.077 1.00 0.18 C ATOM 0 H LEU A 185 -3.303 -7.731 -2.385 1.00 0.12 H new ATOM 0 HA LEU A 185 -4.271 -9.376 -0.274 1.00 0.13 H new ATOM 0 HB2 LEU A 185 -2.056 -8.423 -0.204 1.00 0.14 H new ATOM 0 HB3 LEU A 185 -2.684 -6.797 -0.380 1.00 0.14 H new ATOM 0 HG LEU A 185 -3.784 -6.997 1.841 1.00 0.15 H new ATOM 0 HD11 LEU A 185 -3.150 -8.841 3.336 1.00 0.16 H new ATOM 0 HD12 LEU A 185 -4.062 -9.418 1.921 1.00 0.16 H new ATOM 0 HD13 LEU A 185 -2.297 -9.634 1.991 1.00 0.16 H new ATOM 0 HD21 LEU A 185 -1.708 -6.855 3.162 1.00 0.18 H new ATOM 0 HD22 LEU A 185 -0.802 -7.560 1.801 1.00 0.18 H new ATOM 0 HD23 LEU A 185 -1.576 -5.967 1.625 1.00 0.18 H new ATOM 207 N LEU A 186 -5.591 -6.393 -0.684 1.00 0.11 N ATOM 208 CA LEU A 186 -6.715 -5.549 -0.320 1.00 0.10 C ATOM 209 C LEU A 186 -8.019 -6.148 -0.812 1.00 0.09 C ATOM 210 O LEU A 186 -9.068 -5.941 -0.217 1.00 0.08 O ATOM 211 CB LEU A 186 -6.538 -4.137 -0.878 1.00 0.10 C ATOM 212 CG LEU A 186 -5.712 -3.184 -0.007 1.00 0.11 C ATOM 213 CD1 LEU A 186 -6.333 -3.066 1.373 1.00 0.09 C ATOM 214 CD2 LEU A 186 -4.270 -3.646 0.102 1.00 0.14 C ATOM 0 H LEU A 186 -5.004 -6.015 -1.428 1.00 0.11 H new ATOM 0 HA LEU A 186 -6.750 -5.488 0.768 1.00 0.10 H new ATOM 0 HB2 LEU A 186 -6.065 -4.208 -1.858 1.00 0.10 H new ATOM 0 HB3 LEU A 186 -7.524 -3.699 -1.031 1.00 0.10 H new ATOM 0 HG LEU A 186 -5.714 -2.204 -0.484 1.00 0.11 H new ATOM 0 HD11 LEU A 186 -5.738 -2.387 1.983 1.00 0.09 H new ATOM 0 HD12 LEU A 186 -7.348 -2.679 1.283 1.00 0.09 H new ATOM 0 HD13 LEU A 186 -6.360 -4.048 1.845 1.00 0.09 H new ATOM 0 HD21 LEU A 186 -3.711 -2.949 0.726 1.00 0.14 H new ATOM 0 HD22 LEU A 186 -4.239 -4.639 0.550 1.00 0.14 H new ATOM 0 HD23 LEU A 186 -3.823 -3.682 -0.892 1.00 0.14 H new ATOM 226 N LYS A 187 -7.943 -6.899 -1.894 1.00 0.11 N ATOM 227 CA LYS A 187 -9.109 -7.578 -2.429 1.00 0.12 C ATOM 228 C LYS A 187 -9.539 -8.685 -1.478 1.00 0.13 C ATOM 229 O LYS A 187 -10.729 -8.888 -1.233 1.00 0.14 O ATOM 230 CB LYS A 187 -8.812 -8.138 -3.820 1.00 0.15 C ATOM 231 CG LYS A 187 -10.028 -8.729 -4.509 1.00 0.22 C ATOM 232 CD LYS A 187 -9.766 -8.990 -5.984 1.00 0.29 C ATOM 233 CE LYS A 187 -8.620 -9.964 -6.192 1.00 0.78 C ATOM 234 NZ LYS A 187 -8.363 -10.213 -7.633 1.00 1.61 N ATOM 0 H LYS A 187 -7.084 -7.055 -2.421 1.00 0.11 H new ATOM 0 HA LYS A 187 -9.926 -6.863 -2.525 1.00 0.12 H new ATOM 0 HB2 LYS A 187 -8.403 -7.343 -4.443 1.00 0.15 H new ATOM 0 HB3 LYS A 187 -8.043 -8.906 -3.737 1.00 0.15 H new ATOM 0 HG2 LYS A 187 -10.307 -9.661 -4.018 1.00 0.22 H new ATOM 0 HG3 LYS A 187 -10.873 -8.048 -4.404 1.00 0.22 H new ATOM 0 HD2 LYS A 187 -10.669 -9.387 -6.448 1.00 0.29 H new ATOM 0 HD3 LYS A 187 -9.538 -8.049 -6.484 1.00 0.29 H new ATOM 0 HE2 LYS A 187 -7.718 -9.569 -5.725 1.00 0.78 H new ATOM 0 HE3 LYS A 187 -8.850 -10.907 -5.695 1.00 0.78 H new ATOM 0 HZ1 LYS A 187 -7.574 -10.883 -7.734 1.00 1.61 H new ATOM 0 HZ2 LYS A 187 -9.216 -10.613 -8.074 1.00 1.61 H new ATOM 0 HZ3 LYS A 187 -8.119 -9.317 -8.102 1.00 1.61 H new ATOM 248 N ASN A 188 -8.555 -9.393 -0.942 1.00 0.16 N ATOM 249 CA ASN A 188 -8.796 -10.394 0.087 1.00 0.20 C ATOM 250 C ASN A 188 -9.255 -9.733 1.386 1.00 0.19 C ATOM 251 O ASN A 188 -10.129 -10.240 2.082 1.00 0.24 O ATOM 252 CB ASN A 188 -7.514 -11.200 0.321 1.00 0.25 C ATOM 253 CG ASN A 188 -7.607 -12.138 1.510 1.00 0.75 C ATOM 254 OD1 ASN A 188 -8.076 -13.271 1.387 1.00 0.75 O ATOM 255 ND2 ASN A 188 -7.135 -11.684 2.660 1.00 1.37 N ATOM 0 H ASN A 188 -7.575 -9.291 -1.205 1.00 0.16 H new ATOM 0 HA ASN A 188 -9.588 -11.064 -0.247 1.00 0.20 H new ATOM 0 HB2 ASN A 188 -7.288 -11.780 -0.574 1.00 0.25 H new ATOM 0 HB3 ASN A 188 -6.682 -10.512 0.473 1.00 0.25 H new ATOM 0 HD21 ASN A 188 -7.151 -12.279 3.488 1.00 1.37 H new ATOM 0 HD22 ASN A 188 -6.755 -10.739 2.718 1.00 1.37 H new ATOM 262 N ASN A 189 -8.661 -8.589 1.693 1.00 0.14 N ATOM 263 CA ASN A 189 -8.971 -7.849 2.913 1.00 0.14 C ATOM 264 C ASN A 189 -10.396 -7.308 2.874 1.00 0.13 C ATOM 265 O ASN A 189 -11.085 -7.256 3.890 1.00 0.17 O ATOM 266 CB ASN A 189 -7.984 -6.694 3.074 1.00 0.13 C ATOM 267 CG ASN A 189 -8.101 -5.991 4.412 1.00 0.18 C ATOM 268 OD1 ASN A 189 -8.874 -5.046 4.570 1.00 0.21 O ATOM 269 ND2 ASN A 189 -7.319 -6.437 5.382 1.00 0.23 N ATOM 0 H ASN A 189 -7.953 -8.147 1.107 1.00 0.14 H new ATOM 0 HA ASN A 189 -8.885 -8.527 3.762 1.00 0.14 H new ATOM 0 HB2 ASN A 189 -6.969 -7.073 2.958 1.00 0.13 H new ATOM 0 HB3 ASN A 189 -8.148 -5.971 2.275 1.00 0.13 H new ATOM 0 HD21 ASN A 189 -7.343 -5.995 6.301 1.00 0.23 H new ATOM 0 HD22 ASN A 189 -6.692 -7.223 5.211 1.00 0.23 H new ATOM 276 N PHE A 190 -10.829 -6.931 1.686 1.00 0.11 N ATOM 277 CA PHE A 190 -12.137 -6.341 1.482 1.00 0.10 C ATOM 278 C PHE A 190 -13.041 -7.297 0.716 1.00 0.11 C ATOM 279 O PHE A 190 -13.755 -6.865 -0.185 1.00 0.12 O ATOM 280 CB PHE A 190 -12.035 -5.008 0.740 1.00 0.09 C ATOM 281 CG PHE A 190 -11.553 -3.866 1.588 1.00 0.10 C ATOM 282 CD1 PHE A 190 -12.434 -3.191 2.416 1.00 1.18 C ATOM 283 CD2 PHE A 190 -10.229 -3.457 1.548 1.00 1.17 C ATOM 284 CE1 PHE A 190 -12.006 -2.130 3.189 1.00 1.18 C ATOM 285 CE2 PHE A 190 -9.796 -2.396 2.323 1.00 1.18 C ATOM 286 CZ PHE A 190 -10.687 -1.733 3.143 1.00 0.14 C ATOM 0 H PHE A 190 -10.280 -7.026 0.832 1.00 0.11 H new ATOM 0 HA PHE A 190 -12.572 -6.152 2.464 1.00 0.10 H new ATOM 0 HB2 PHE A 190 -11.359 -5.127 -0.107 1.00 0.09 H new ATOM 0 HB3 PHE A 190 -13.014 -4.756 0.333 1.00 0.09 H new ATOM 0 HD1 PHE A 190 -13.469 -3.498 2.458 1.00 1.18 H new ATOM 0 HD2 PHE A 190 -9.529 -3.971 0.906 1.00 1.17 H new ATOM 0 HE1 PHE A 190 -12.704 -1.612 3.829 1.00 1.18 H new ATOM 0 HE2 PHE A 190 -8.762 -2.087 2.287 1.00 1.18 H new ATOM 0 HZ PHE A 190 -10.351 -0.904 3.748 1.00 0.14 H new ATOM 296 N GLU A 191 -12.825 -8.599 0.950 1.00 0.14 N ATOM 297 CA GLU A 191 -13.729 -9.717 0.550 1.00 0.21 C ATOM 298 C GLU A 191 -15.252 -9.454 0.706 1.00 0.21 C ATOM 299 O GLU A 191 -16.007 -10.337 1.124 1.00 0.22 O ATOM 300 CB GLU A 191 -13.359 -10.973 1.340 1.00 0.30 C ATOM 301 CG GLU A 191 -13.308 -10.756 2.845 1.00 0.38 C ATOM 302 CD GLU A 191 -13.170 -12.050 3.618 1.00 0.84 C ATOM 303 OE1 GLU A 191 -12.043 -12.577 3.722 1.00 1.40 O ATOM 304 OE2 GLU A 191 -14.193 -12.549 4.131 1.00 1.74 O ATOM 0 H GLU A 191 -11.992 -8.927 1.438 1.00 0.14 H new ATOM 0 HA GLU A 191 -13.568 -9.835 -0.522 1.00 0.21 H new ATOM 0 HB2 GLU A 191 -14.083 -11.757 1.119 1.00 0.30 H new ATOM 0 HB3 GLU A 191 -12.387 -11.332 1.000 1.00 0.30 H new ATOM 0 HG2 GLU A 191 -12.469 -10.103 3.085 1.00 0.38 H new ATOM 0 HG3 GLU A 191 -14.214 -10.242 3.165 1.00 0.38 H new ATOM 311 N ASN A 192 -15.678 -8.261 0.360 1.00 0.31 N ATOM 312 CA ASN A 192 -17.069 -7.851 0.408 1.00 0.44 C ATOM 313 C ASN A 192 -17.226 -6.522 -0.317 1.00 0.57 C ATOM 314 O ASN A 192 -18.164 -6.322 -1.092 1.00 1.09 O ATOM 315 CB ASN A 192 -17.551 -7.724 1.856 1.00 0.47 C ATOM 316 CG ASN A 192 -18.984 -7.235 1.958 1.00 0.61 C ATOM 317 OD1 ASN A 192 -19.927 -8.026 1.902 1.00 0.69 O ATOM 318 ND2 ASN A 192 -19.161 -5.934 2.124 1.00 1.16 N ATOM 0 H ASN A 192 -15.052 -7.527 0.028 1.00 0.31 H new ATOM 0 HA ASN A 192 -17.678 -8.610 -0.083 1.00 0.44 H new ATOM 0 HB2 ASN A 192 -17.467 -8.693 2.349 1.00 0.47 H new ATOM 0 HB3 ASN A 192 -16.898 -7.036 2.392 1.00 0.47 H new ATOM 0 HD21 ASN A 192 -20.104 -5.555 2.211 1.00 1.16 H new ATOM 0 HD22 ASN A 192 -18.355 -5.311 2.165 1.00 1.16 H new ATOM 325 N ASP A 193 -16.283 -5.626 -0.070 1.00 0.20 N ATOM 326 CA ASP A 193 -16.302 -4.300 -0.664 1.00 0.24 C ATOM 327 C ASP A 193 -15.201 -4.151 -1.709 1.00 0.19 C ATOM 328 O ASP A 193 -14.109 -3.655 -1.420 1.00 0.16 O ATOM 329 CB ASP A 193 -16.128 -3.237 0.420 1.00 0.33 C ATOM 330 CG ASP A 193 -17.240 -3.255 1.445 1.00 0.84 C ATOM 331 OD1 ASP A 193 -17.173 -4.071 2.389 1.00 1.27 O ATOM 332 OD2 ASP A 193 -18.187 -2.452 1.310 1.00 1.78 O ATOM 0 H ASP A 193 -15.487 -5.797 0.545 1.00 0.20 H new ATOM 0 HA ASP A 193 -17.265 -4.165 -1.155 1.00 0.24 H new ATOM 0 HB2 ASP A 193 -15.174 -3.392 0.924 1.00 0.33 H new ATOM 0 HB3 ASP A 193 -16.086 -2.253 -0.047 1.00 0.33 H new ATOM 337 N GLN A 194 -15.495 -4.565 -2.931 1.00 0.21 N ATOM 338 CA GLN A 194 -14.532 -4.472 -4.024 1.00 0.21 C ATOM 339 C GLN A 194 -14.272 -3.012 -4.362 1.00 0.21 C ATOM 340 O GLN A 194 -13.144 -2.614 -4.658 1.00 0.24 O ATOM 341 CB GLN A 194 -15.048 -5.215 -5.254 1.00 0.26 C ATOM 342 CG GLN A 194 -15.351 -6.683 -4.998 1.00 0.26 C ATOM 343 CD GLN A 194 -14.145 -7.455 -4.495 1.00 0.25 C ATOM 344 OE1 GLN A 194 -13.358 -7.978 -5.281 1.00 0.44 O ATOM 345 NE2 GLN A 194 -13.994 -7.537 -3.181 1.00 0.35 N ATOM 0 H GLN A 194 -16.393 -4.970 -3.194 1.00 0.21 H new ATOM 0 HA GLN A 194 -13.597 -4.935 -3.708 1.00 0.21 H new ATOM 0 HB2 GLN A 194 -15.953 -4.723 -5.612 1.00 0.26 H new ATOM 0 HB3 GLN A 194 -14.308 -5.139 -6.051 1.00 0.26 H new ATOM 0 HG2 GLN A 194 -16.156 -6.761 -4.268 1.00 0.26 H new ATOM 0 HG3 GLN A 194 -15.711 -7.141 -5.919 1.00 0.26 H new ATOM 0 HE21 GLN A 194 -14.669 -7.089 -2.561 1.00 0.35 H new ATOM 0 HE22 GLN A 194 -13.203 -8.048 -2.789 1.00 0.35 H new ATOM 354 N ALA A 195 -15.339 -2.228 -4.332 1.00 0.25 N ATOM 355 CA ALA A 195 -15.245 -0.783 -4.487 1.00 0.25 C ATOM 356 C ALA A 195 -14.304 -0.177 -3.451 1.00 0.20 C ATOM 357 O ALA A 195 -13.657 0.835 -3.706 1.00 0.19 O ATOM 358 CB ALA A 195 -16.623 -0.152 -4.384 1.00 0.32 C ATOM 0 H ALA A 195 -16.290 -2.572 -4.200 1.00 0.25 H new ATOM 0 HA ALA A 195 -14.834 -0.575 -5.475 1.00 0.25 H new ATOM 0 HB1 ALA A 195 -16.538 0.928 -4.502 1.00 0.32 H new ATOM 0 HB2 ALA A 195 -17.266 -0.553 -5.167 1.00 0.32 H new ATOM 0 HB3 ALA A 195 -17.055 -0.378 -3.409 1.00 0.32 H new ATOM 364 N ALA A 196 -14.196 -0.821 -2.297 1.00 0.17 N ATOM 365 CA ALA A 196 -13.311 -0.341 -1.251 1.00 0.15 C ATOM 366 C ALA A 196 -11.885 -0.720 -1.589 1.00 0.10 C ATOM 367 O ALA A 196 -10.963 0.045 -1.337 1.00 0.08 O ATOM 368 CB ALA A 196 -13.709 -0.895 0.102 1.00 0.18 C ATOM 0 H ALA A 196 -14.708 -1.672 -2.065 1.00 0.17 H new ATOM 0 HA ALA A 196 -13.391 0.744 -1.193 1.00 0.15 H new ATOM 0 HB1 ALA A 196 -13.028 -0.518 0.864 1.00 0.18 H new ATOM 0 HB2 ALA A 196 -14.726 -0.583 0.338 1.00 0.18 H new ATOM 0 HB3 ALA A 196 -13.660 -1.984 0.078 1.00 0.18 H new ATOM 374 N VAL A 197 -11.719 -1.902 -2.178 1.00 0.11 N ATOM 375 CA VAL A 197 -10.424 -2.321 -2.705 1.00 0.10 C ATOM 376 C VAL A 197 -9.901 -1.268 -3.673 1.00 0.11 C ATOM 377 O VAL A 197 -8.740 -0.867 -3.620 1.00 0.11 O ATOM 378 CB VAL A 197 -10.521 -3.665 -3.456 1.00 0.12 C ATOM 379 CG1 VAL A 197 -9.154 -4.102 -3.964 1.00 0.14 C ATOM 380 CG2 VAL A 197 -11.131 -4.736 -2.574 1.00 0.11 C ATOM 0 H VAL A 197 -12.465 -2.586 -2.302 1.00 0.11 H new ATOM 0 HA VAL A 197 -9.749 -2.440 -1.858 1.00 0.10 H new ATOM 0 HB VAL A 197 -11.175 -3.522 -4.316 1.00 0.12 H new ATOM 0 HG11 VAL A 197 -9.248 -5.052 -4.490 1.00 0.14 H new ATOM 0 HG12 VAL A 197 -8.761 -3.347 -4.645 1.00 0.14 H new ATOM 0 HG13 VAL A 197 -8.473 -4.220 -3.121 1.00 0.14 H new ATOM 0 HG21 VAL A 197 -11.188 -5.674 -3.127 1.00 0.11 H new ATOM 0 HG22 VAL A 197 -10.511 -4.874 -1.688 1.00 0.11 H new ATOM 0 HG23 VAL A 197 -12.133 -4.431 -2.272 1.00 0.11 H new ATOM 390 N ARG A 198 -10.788 -0.806 -4.540 1.00 0.12 N ATOM 391 CA ARG A 198 -10.438 0.197 -5.531 1.00 0.14 C ATOM 392 C ARG A 198 -10.027 1.495 -4.850 1.00 0.13 C ATOM 393 O ARG A 198 -8.975 2.057 -5.146 1.00 0.14 O ATOM 394 CB ARG A 198 -11.617 0.452 -6.468 1.00 0.19 C ATOM 395 CG ARG A 198 -12.118 -0.801 -7.165 1.00 0.24 C ATOM 396 CD ARG A 198 -13.177 -0.471 -8.198 1.00 0.35 C ATOM 397 NE ARG A 198 -12.639 0.327 -9.297 1.00 1.12 N ATOM 398 CZ ARG A 198 -13.378 0.842 -10.280 1.00 1.48 C ATOM 399 NH1 ARG A 198 -14.696 0.668 -10.292 1.00 1.02 N ATOM 400 NH2 ARG A 198 -12.796 1.535 -11.250 1.00 2.36 N ATOM 0 H ARG A 198 -11.760 -1.112 -4.577 1.00 0.12 H new ATOM 0 HA ARG A 198 -9.597 -0.176 -6.115 1.00 0.14 H new ATOM 0 HB2 ARG A 198 -12.435 0.893 -5.898 1.00 0.19 H new ATOM 0 HB3 ARG A 198 -11.322 1.183 -7.220 1.00 0.19 H new ATOM 0 HG2 ARG A 198 -11.283 -1.310 -7.647 1.00 0.24 H new ATOM 0 HG3 ARG A 198 -12.529 -1.490 -6.427 1.00 0.24 H new ATOM 0 HD2 ARG A 198 -13.598 -1.395 -8.593 1.00 0.35 H new ATOM 0 HD3 ARG A 198 -13.992 0.072 -7.721 1.00 0.35 H new ATOM 0 HE ARG A 198 -11.634 0.501 -9.313 1.00 1.12 H new ATOM 0 HH11 ARG A 198 -15.147 0.138 -9.546 1.00 1.02 H new ATOM 0 HH12 ARG A 198 -15.256 1.064 -11.047 1.00 1.02 H new ATOM 0 HH21 ARG A 198 -11.785 1.673 -11.243 1.00 2.36 H new ATOM 0 HH22 ARG A 198 -13.359 1.930 -12.003 1.00 2.36 H new ATOM 414 N GLN A 199 -10.855 1.947 -3.915 1.00 0.13 N ATOM 415 CA GLN A 199 -10.613 3.199 -3.206 1.00 0.13 C ATOM 416 C GLN A 199 -9.295 3.176 -2.442 1.00 0.12 C ATOM 417 O GLN A 199 -8.545 4.155 -2.457 1.00 0.12 O ATOM 418 CB GLN A 199 -11.756 3.486 -2.237 1.00 0.14 C ATOM 419 CG GLN A 199 -13.091 3.735 -2.913 1.00 0.17 C ATOM 420 CD GLN A 199 -14.210 3.948 -1.915 1.00 0.23 C ATOM 421 OE1 GLN A 199 -14.463 5.070 -1.479 1.00 0.29 O ATOM 422 NE2 GLN A 199 -14.891 2.874 -1.552 1.00 0.25 N ATOM 0 H GLN A 199 -11.705 1.462 -3.629 1.00 0.13 H new ATOM 0 HA GLN A 199 -10.555 3.988 -3.956 1.00 0.13 H new ATOM 0 HB2 GLN A 199 -11.859 2.644 -1.553 1.00 0.14 H new ATOM 0 HB3 GLN A 199 -11.498 4.357 -1.634 1.00 0.14 H new ATOM 0 HG2 GLN A 199 -13.011 4.610 -3.558 1.00 0.17 H new ATOM 0 HG3 GLN A 199 -13.335 2.888 -3.554 1.00 0.17 H new ATOM 0 HE21 GLN A 199 -14.648 1.962 -1.938 1.00 0.25 H new ATOM 0 HE22 GLN A 199 -15.659 2.958 -0.886 1.00 0.25 H new ATOM 431 N VAL A 200 -8.993 2.052 -1.802 1.00 0.12 N ATOM 432 CA VAL A 200 -7.805 1.969 -0.968 1.00 0.12 C ATOM 433 C VAL A 200 -6.563 1.906 -1.838 1.00 0.12 C ATOM 434 O VAL A 200 -5.541 2.505 -1.513 1.00 0.12 O ATOM 435 CB VAL A 200 -7.827 0.766 0.006 1.00 0.14 C ATOM 436 CG1 VAL A 200 -9.019 0.856 0.935 1.00 0.16 C ATOM 437 CG2 VAL A 200 -7.840 -0.556 -0.741 1.00 0.14 C ATOM 0 H VAL A 200 -9.548 1.197 -1.845 1.00 0.12 H new ATOM 0 HA VAL A 200 -7.790 2.870 -0.355 1.00 0.12 H new ATOM 0 HB VAL A 200 -6.913 0.806 0.599 1.00 0.14 H new ATOM 0 HG11 VAL A 200 -9.018 0.002 1.612 1.00 0.16 H new ATOM 0 HG12 VAL A 200 -8.961 1.778 1.513 1.00 0.16 H new ATOM 0 HG13 VAL A 200 -9.938 0.853 0.349 1.00 0.16 H new ATOM 0 HG21 VAL A 200 -7.855 -1.378 -0.025 1.00 0.14 H new ATOM 0 HG22 VAL A 200 -8.727 -0.608 -1.373 1.00 0.14 H new ATOM 0 HG23 VAL A 200 -6.947 -0.632 -1.362 1.00 0.14 H new ATOM 447 N MET A 201 -6.666 1.211 -2.966 1.00 0.13 N ATOM 448 CA MET A 201 -5.558 1.116 -3.900 1.00 0.15 C ATOM 449 C MET A 201 -5.259 2.470 -4.513 1.00 0.12 C ATOM 450 O MET A 201 -4.103 2.857 -4.647 1.00 0.13 O ATOM 451 CB MET A 201 -5.854 0.100 -5.004 1.00 0.20 C ATOM 452 CG MET A 201 -5.810 -1.342 -4.533 1.00 1.01 C ATOM 453 SD MET A 201 -4.227 -1.778 -3.792 1.00 1.58 S ATOM 454 CE MET A 201 -3.105 -1.440 -5.148 1.00 1.20 C ATOM 0 H MET A 201 -7.505 0.707 -3.252 1.00 0.13 H new ATOM 0 HA MET A 201 -4.684 0.777 -3.344 1.00 0.15 H new ATOM 0 HB2 MET A 201 -6.839 0.307 -5.421 1.00 0.20 H new ATOM 0 HB3 MET A 201 -5.132 0.232 -5.810 1.00 0.20 H new ATOM 0 HG2 MET A 201 -6.605 -1.508 -3.807 1.00 1.01 H new ATOM 0 HG3 MET A 201 -6.007 -2.003 -5.377 1.00 1.01 H new ATOM 0 HE1 MET A 201 -2.190 -2.017 -5.016 1.00 1.20 H new ATOM 0 HE2 MET A 201 -3.578 -1.720 -6.090 1.00 1.20 H new ATOM 0 HE3 MET A 201 -2.864 -0.377 -5.165 1.00 1.20 H new ATOM 464 N GLU A 202 -6.307 3.211 -4.841 1.00 0.11 N ATOM 465 CA GLU A 202 -6.148 4.498 -5.498 1.00 0.11 C ATOM 466 C GLU A 202 -5.633 5.541 -4.521 1.00 0.10 C ATOM 467 O GLU A 202 -4.941 6.478 -4.910 1.00 0.10 O ATOM 468 CB GLU A 202 -7.469 4.961 -6.101 1.00 0.12 C ATOM 469 CG GLU A 202 -7.913 4.141 -7.297 1.00 0.14 C ATOM 470 CD GLU A 202 -9.216 4.641 -7.880 1.00 0.19 C ATOM 471 OE1 GLU A 202 -9.315 5.853 -8.167 1.00 0.99 O ATOM 472 OE2 GLU A 202 -10.154 3.829 -8.044 1.00 1.07 O ATOM 0 H GLU A 202 -7.275 2.943 -4.663 1.00 0.11 H new ATOM 0 HA GLU A 202 -5.419 4.378 -6.299 1.00 0.11 H new ATOM 0 HB2 GLU A 202 -8.243 4.918 -5.335 1.00 0.12 H new ATOM 0 HB3 GLU A 202 -7.375 6.005 -6.402 1.00 0.12 H new ATOM 0 HG2 GLU A 202 -7.139 4.171 -8.064 1.00 0.14 H new ATOM 0 HG3 GLU A 202 -8.026 3.099 -6.999 1.00 0.14 H new ATOM 479 N ARG A 203 -5.950 5.363 -3.247 1.00 0.09 N ATOM 480 CA ARG A 203 -5.502 6.295 -2.226 1.00 0.08 C ATOM 481 C ARG A 203 -4.049 6.004 -1.866 1.00 0.08 C ATOM 482 O ARG A 203 -3.274 6.918 -1.605 1.00 0.08 O ATOM 483 CB ARG A 203 -6.404 6.223 -0.991 1.00 0.10 C ATOM 484 CG ARG A 203 -5.975 7.149 0.136 1.00 0.21 C ATOM 485 CD ARG A 203 -7.003 7.172 1.254 1.00 0.14 C ATOM 486 NE ARG A 203 -6.495 7.831 2.459 1.00 0.48 N ATOM 487 CZ ARG A 203 -7.227 8.061 3.547 1.00 0.40 C ATOM 488 NH1 ARG A 203 -8.514 7.740 3.570 1.00 0.60 N ATOM 489 NH2 ARG A 203 -6.671 8.625 4.611 1.00 0.79 N ATOM 0 H ARG A 203 -6.512 4.587 -2.898 1.00 0.09 H new ATOM 0 HA ARG A 203 -5.566 7.310 -2.619 1.00 0.08 H new ATOM 0 HB2 ARG A 203 -7.425 6.470 -1.283 1.00 0.10 H new ATOM 0 HB3 ARG A 203 -6.417 5.198 -0.621 1.00 0.10 H new ATOM 0 HG2 ARG A 203 -5.013 6.823 0.531 1.00 0.21 H new ATOM 0 HG3 ARG A 203 -5.835 8.158 -0.253 1.00 0.21 H new ATOM 0 HD2 ARG A 203 -7.900 7.688 0.910 1.00 0.14 H new ATOM 0 HD3 ARG A 203 -7.296 6.151 1.497 1.00 0.14 H new ATOM 0 HE ARG A 203 -5.521 8.132 2.465 1.00 0.48 H new ATOM 0 HH11 ARG A 203 -8.948 7.314 2.751 1.00 0.60 H new ATOM 0 HH12 ARG A 203 -9.069 7.919 4.407 1.00 0.60 H new ATOM 0 HH21 ARG A 203 -5.684 8.882 4.595 1.00 0.79 H new ATOM 0 HH22 ARG A 203 -7.230 8.802 5.445 1.00 0.79 H new ATOM 503 N LEU A 204 -3.694 4.724 -1.849 1.00 0.08 N ATOM 504 CA LEU A 204 -2.303 4.314 -1.674 1.00 0.08 C ATOM 505 C LEU A 204 -1.433 4.813 -2.827 1.00 0.08 C ATOM 506 O LEU A 204 -0.319 5.281 -2.613 1.00 0.08 O ATOM 507 CB LEU A 204 -2.198 2.792 -1.573 1.00 0.08 C ATOM 508 CG LEU A 204 -2.723 2.178 -0.272 1.00 0.08 C ATOM 509 CD1 LEU A 204 -2.799 0.665 -0.390 1.00 0.09 C ATOM 510 CD2 LEU A 204 -1.831 2.569 0.896 1.00 0.09 C ATOM 0 H LEU A 204 -4.350 3.950 -1.954 1.00 0.08 H new ATOM 0 HA LEU A 204 -1.942 4.759 -0.747 1.00 0.08 H new ATOM 0 HB2 LEU A 204 -2.744 2.352 -2.408 1.00 0.08 H new ATOM 0 HB3 LEU A 204 -1.152 2.509 -1.691 1.00 0.08 H new ATOM 0 HG LEU A 204 -3.726 2.563 -0.090 1.00 0.08 H new ATOM 0 HD11 LEU A 204 -3.174 0.246 0.544 1.00 0.09 H new ATOM 0 HD12 LEU A 204 -3.472 0.397 -1.204 1.00 0.09 H new ATOM 0 HD13 LEU A 204 -1.806 0.266 -0.594 1.00 0.09 H new ATOM 0 HD21 LEU A 204 -2.217 2.125 1.813 1.00 0.09 H new ATOM 0 HD22 LEU A 204 -0.818 2.208 0.717 1.00 0.09 H new ATOM 0 HD23 LEU A 204 -1.817 3.654 0.996 1.00 0.09 H new ATOM 522 N GLN A 205 -1.953 4.715 -4.046 1.00 0.10 N ATOM 523 CA GLN A 205 -1.215 5.143 -5.235 1.00 0.12 C ATOM 524 C GLN A 205 -1.071 6.660 -5.269 1.00 0.11 C ATOM 525 O GLN A 205 0.021 7.192 -5.492 1.00 0.13 O ATOM 526 CB GLN A 205 -1.916 4.662 -6.505 1.00 0.17 C ATOM 527 CG GLN A 205 -1.928 3.152 -6.658 1.00 0.65 C ATOM 528 CD GLN A 205 -2.761 2.691 -7.838 1.00 0.76 C ATOM 529 OE1 GLN A 205 -3.733 3.343 -8.220 1.00 1.30 O ATOM 530 NE2 GLN A 205 -2.391 1.562 -8.421 1.00 0.81 N ATOM 0 H GLN A 205 -2.883 4.343 -4.239 1.00 0.10 H new ATOM 0 HA GLN A 205 -0.221 4.699 -5.188 1.00 0.12 H new ATOM 0 HB2 GLN A 205 -2.943 5.027 -6.503 1.00 0.17 H new ATOM 0 HB3 GLN A 205 -1.423 5.103 -7.371 1.00 0.17 H new ATOM 0 HG2 GLN A 205 -0.905 2.795 -6.779 1.00 0.65 H new ATOM 0 HG3 GLN A 205 -2.317 2.701 -5.745 1.00 0.65 H new ATOM 0 HE21 GLN A 205 -1.579 1.051 -8.074 1.00 0.81 H new ATOM 0 HE22 GLN A 205 -2.918 1.203 -9.217 1.00 0.81 H new ATOM 539 N LYS A 206 -2.182 7.350 -5.050 1.00 0.10 N ATOM 540 CA LYS A 206 -2.193 8.802 -5.012 1.00 0.11 C ATOM 541 C LYS A 206 -1.269 9.296 -3.910 1.00 0.09 C ATOM 542 O LYS A 206 -0.423 10.160 -4.130 1.00 0.09 O ATOM 543 CB LYS A 206 -3.619 9.300 -4.777 1.00 0.14 C ATOM 544 CG LYS A 206 -3.735 10.804 -4.631 1.00 0.20 C ATOM 545 CD LYS A 206 -5.175 11.216 -4.377 1.00 0.32 C ATOM 546 CE LYS A 206 -5.300 12.710 -4.147 1.00 0.92 C ATOM 547 NZ LYS A 206 -6.702 13.109 -3.868 1.00 1.53 N ATOM 0 H LYS A 206 -3.094 6.921 -4.895 1.00 0.10 H new ATOM 0 HA LYS A 206 -1.838 9.192 -5.966 1.00 0.11 H new ATOM 0 HB2 LYS A 206 -4.246 8.977 -5.608 1.00 0.14 H new ATOM 0 HB3 LYS A 206 -4.014 8.827 -3.878 1.00 0.14 H new ATOM 0 HG2 LYS A 206 -3.105 11.143 -3.808 1.00 0.20 H new ATOM 0 HG3 LYS A 206 -3.368 11.290 -5.535 1.00 0.20 H new ATOM 0 HD2 LYS A 206 -5.792 10.926 -5.228 1.00 0.32 H new ATOM 0 HD3 LYS A 206 -5.559 10.681 -3.508 1.00 0.32 H new ATOM 0 HE2 LYS A 206 -4.665 13.003 -3.311 1.00 0.92 H new ATOM 0 HE3 LYS A 206 -4.938 13.245 -5.025 1.00 0.92 H new ATOM 0 HZ1 LYS A 206 -6.747 14.137 -3.716 1.00 1.53 H new ATOM 0 HZ2 LYS A 206 -7.304 12.852 -4.676 1.00 1.53 H new ATOM 0 HZ3 LYS A 206 -7.039 12.618 -3.015 1.00 1.53 H new ATOM 561 N GLY A 207 -1.435 8.726 -2.727 1.00 0.10 N ATOM 562 CA GLY A 207 -0.582 9.054 -1.610 1.00 0.10 C ATOM 563 C GLY A 207 0.878 8.769 -1.885 1.00 0.09 C ATOM 564 O GLY A 207 1.744 9.514 -1.450 1.00 0.10 O ATOM 0 H GLY A 207 -2.155 8.034 -2.522 1.00 0.10 H new ATOM 0 HA2 GLY A 207 -0.702 10.109 -1.365 1.00 0.10 H new ATOM 0 HA3 GLY A 207 -0.900 8.485 -0.736 1.00 0.10 H new ATOM 568 N TRP A 208 1.150 7.689 -2.600 1.00 0.08 N ATOM 569 CA TRP A 208 2.510 7.364 -3.007 1.00 0.08 C ATOM 570 C TRP A 208 3.081 8.493 -3.863 1.00 0.09 C ATOM 571 O TRP A 208 4.255 8.847 -3.750 1.00 0.12 O ATOM 572 CB TRP A 208 2.531 6.042 -3.782 1.00 0.09 C ATOM 573 CG TRP A 208 3.905 5.593 -4.175 1.00 0.09 C ATOM 574 CD1 TRP A 208 4.501 5.741 -5.394 1.00 0.10 C ATOM 575 CD2 TRP A 208 4.853 4.920 -3.343 1.00 0.10 C ATOM 576 NE1 TRP A 208 5.766 5.208 -5.365 1.00 0.12 N ATOM 577 CE2 TRP A 208 6.004 4.696 -4.120 1.00 0.12 C ATOM 578 CE3 TRP A 208 4.842 4.488 -2.016 1.00 0.12 C ATOM 579 CZ2 TRP A 208 7.134 4.061 -3.612 1.00 0.15 C ATOM 580 CZ3 TRP A 208 5.962 3.856 -1.513 1.00 0.14 C ATOM 581 CH2 TRP A 208 7.093 3.649 -2.309 1.00 0.16 C ATOM 0 H TRP A 208 0.446 7.020 -2.912 1.00 0.08 H new ATOM 0 HA TRP A 208 3.128 7.251 -2.117 1.00 0.08 H new ATOM 0 HB2 TRP A 208 2.066 5.267 -3.173 1.00 0.09 H new ATOM 0 HB3 TRP A 208 1.923 6.149 -4.680 1.00 0.09 H new ATOM 0 HD1 TRP A 208 4.045 6.208 -6.254 1.00 0.10 H new ATOM 0 HE1 TRP A 208 6.422 5.196 -6.146 1.00 0.12 H new ATOM 0 HE3 TRP A 208 3.973 4.645 -1.394 1.00 0.12 H new ATOM 0 HZ2 TRP A 208 8.009 3.900 -4.224 1.00 0.15 H new ATOM 0 HZ3 TRP A 208 5.965 3.516 -0.488 1.00 0.14 H new ATOM 0 HH2 TRP A 208 7.953 3.153 -1.885 1.00 0.16 H new ATOM 592 N SER A 209 2.228 9.066 -4.701 1.00 0.10 N ATOM 593 CA SER A 209 2.615 10.173 -5.564 1.00 0.12 C ATOM 594 C SER A 209 2.765 11.470 -4.761 1.00 0.13 C ATOM 595 O SER A 209 3.540 12.355 -5.130 1.00 0.17 O ATOM 596 CB SER A 209 1.567 10.347 -6.668 1.00 0.15 C ATOM 597 OG SER A 209 1.902 11.405 -7.551 1.00 1.18 O ATOM 0 H SER A 209 1.254 8.779 -4.801 1.00 0.10 H new ATOM 0 HA SER A 209 3.582 9.947 -6.013 1.00 0.12 H new ATOM 0 HB2 SER A 209 1.475 9.419 -7.232 1.00 0.15 H new ATOM 0 HB3 SER A 209 0.594 10.544 -6.218 1.00 0.15 H new ATOM 0 HG SER A 209 1.212 11.485 -8.242 1.00 1.18 H new ATOM 603 N LEU A 210 2.040 11.568 -3.654 1.00 0.11 N ATOM 604 CA LEU A 210 2.059 12.773 -2.832 1.00 0.11 C ATOM 605 C LEU A 210 3.247 12.761 -1.874 1.00 0.12 C ATOM 606 O LEU A 210 3.873 13.790 -1.624 1.00 0.13 O ATOM 607 CB LEU A 210 0.760 12.899 -2.033 1.00 0.11 C ATOM 608 CG LEU A 210 -0.523 12.969 -2.865 1.00 0.12 C ATOM 609 CD1 LEU A 210 -1.737 13.074 -1.956 1.00 0.12 C ATOM 610 CD2 LEU A 210 -0.476 14.146 -3.829 1.00 0.16 C ATOM 0 H LEU A 210 1.431 10.828 -3.304 1.00 0.11 H new ATOM 0 HA LEU A 210 2.154 13.629 -3.500 1.00 0.11 H new ATOM 0 HB2 LEU A 210 0.687 12.048 -1.356 1.00 0.11 H new ATOM 0 HB3 LEU A 210 0.820 13.794 -1.414 1.00 0.11 H new ATOM 0 HG LEU A 210 -0.604 12.053 -3.450 1.00 0.12 H new ATOM 0 HD11 LEU A 210 -2.642 13.123 -2.562 1.00 0.12 H new ATOM 0 HD12 LEU A 210 -1.782 12.200 -1.307 1.00 0.12 H new ATOM 0 HD13 LEU A 210 -1.659 13.975 -1.347 1.00 0.12 H new ATOM 0 HD21 LEU A 210 -1.397 14.177 -4.410 1.00 0.16 H new ATOM 0 HD22 LEU A 210 -0.371 15.073 -3.266 1.00 0.16 H new ATOM 0 HD23 LEU A 210 0.374 14.032 -4.502 1.00 0.16 H new ATOM 622 N ALA A 211 3.562 11.584 -1.362 1.00 0.12 N ATOM 623 CA ALA A 211 4.610 11.424 -0.368 1.00 0.14 C ATOM 624 C ALA A 211 5.935 11.068 -1.024 1.00 0.24 C ATOM 625 O ALA A 211 6.756 10.364 -0.438 1.00 0.39 O ATOM 626 CB ALA A 211 4.217 10.347 0.632 1.00 0.20 C ATOM 0 H ALA A 211 3.099 10.713 -1.623 1.00 0.12 H new ATOM 0 HA ALA A 211 4.733 12.373 0.154 1.00 0.14 H new ATOM 0 HB1 ALA A 211 5.008 10.233 1.374 1.00 0.20 H new ATOM 0 HB2 ALA A 211 3.291 10.634 1.130 1.00 0.20 H new ATOM 0 HB3 ALA A 211 4.071 9.402 0.110 1.00 0.20 H new ATOM 707 N THR B 176 -9.814 0.885 5.976 1.00 0.22 N ATOM 708 CA THR B 176 -8.693 0.404 6.761 1.00 0.23 C ATOM 709 C THR B 176 -7.740 -0.408 5.895 1.00 0.19 C ATOM 710 O THR B 176 -8.161 -1.265 5.117 1.00 0.20 O ATOM 711 CB THR B 176 -9.166 -0.454 7.949 1.00 0.29 C ATOM 712 OG1 THR B 176 -10.141 0.270 8.709 1.00 0.33 O ATOM 713 CG2 THR B 176 -7.997 -0.829 8.847 1.00 0.36 C ATOM 0 HA THR B 176 -8.170 1.278 7.151 1.00 0.23 H new ATOM 0 HB THR B 176 -9.609 -1.369 7.557 1.00 0.29 H new ATOM 0 HG1 THR B 176 -10.553 0.956 8.143 1.00 0.33 H new ATOM 0 HG21 THR B 176 -8.357 -1.435 9.679 1.00 0.36 H new ATOM 0 HG22 THR B 176 -7.265 -1.398 8.273 1.00 0.36 H new ATOM 0 HG23 THR B 176 -7.530 0.077 9.233 1.00 0.36 H new ATOM 721 N VAL B 177 -6.458 -0.129 6.037 1.00 0.16 N ATOM 722 CA VAL B 177 -5.431 -0.801 5.268 1.00 0.14 C ATOM 723 C VAL B 177 -4.638 -1.747 6.159 1.00 0.13 C ATOM 724 O VAL B 177 -4.214 -1.364 7.249 1.00 0.13 O ATOM 725 CB VAL B 177 -4.476 0.227 4.633 1.00 0.14 C ATOM 726 CG1 VAL B 177 -3.302 -0.456 3.962 1.00 0.14 C ATOM 727 CG2 VAL B 177 -5.222 1.091 3.636 1.00 0.18 C ATOM 0 H VAL B 177 -6.101 0.570 6.689 1.00 0.16 H new ATOM 0 HA VAL B 177 -5.916 -1.374 4.478 1.00 0.14 H new ATOM 0 HB VAL B 177 -4.086 0.861 5.429 1.00 0.14 H new ATOM 0 HG11 VAL B 177 -2.646 0.296 3.523 1.00 0.14 H new ATOM 0 HG12 VAL B 177 -2.747 -1.035 4.700 1.00 0.14 H new ATOM 0 HG13 VAL B 177 -3.667 -1.121 3.179 1.00 0.14 H new ATOM 0 HG21 VAL B 177 -4.535 1.813 3.195 1.00 0.18 H new ATOM 0 HG22 VAL B 177 -5.641 0.462 2.851 1.00 0.18 H new ATOM 0 HG23 VAL B 177 -6.028 1.621 4.145 1.00 0.18 H new ATOM 737 N PRO B 178 -4.444 -3.002 5.725 1.00 0.12 N ATOM 738 CA PRO B 178 -3.627 -3.958 6.467 1.00 0.13 C ATOM 739 C PRO B 178 -2.140 -3.649 6.312 1.00 0.12 C ATOM 740 O PRO B 178 -1.465 -4.168 5.425 1.00 0.11 O ATOM 741 CB PRO B 178 -3.977 -5.296 5.813 1.00 0.13 C ATOM 742 CG PRO B 178 -4.385 -4.949 4.423 1.00 0.13 C ATOM 743 CD PRO B 178 -5.012 -3.583 4.500 1.00 0.13 C ATOM 0 HA PRO B 178 -3.819 -3.940 7.540 1.00 0.13 H new ATOM 0 HB2 PRO B 178 -3.123 -5.973 5.816 1.00 0.13 H new ATOM 0 HB3 PRO B 178 -4.783 -5.798 6.348 1.00 0.13 H new ATOM 0 HG2 PRO B 178 -3.525 -4.946 3.754 1.00 0.13 H new ATOM 0 HG3 PRO B 178 -5.091 -5.680 4.030 1.00 0.13 H new ATOM 0 HD2 PRO B 178 -4.770 -2.982 3.623 1.00 0.13 H new ATOM 0 HD3 PRO B 178 -6.099 -3.645 4.554 1.00 0.13 H new ATOM 751 N TRP B 179 -1.639 -2.824 7.212 1.00 0.13 N ATOM 752 CA TRP B 179 -0.258 -2.370 7.150 1.00 0.14 C ATOM 753 C TRP B 179 0.721 -3.476 7.512 1.00 0.13 C ATOM 754 O TRP B 179 1.847 -3.491 7.027 1.00 0.15 O ATOM 755 CB TRP B 179 -0.050 -1.157 8.053 1.00 0.17 C ATOM 756 CG TRP B 179 -0.838 0.038 7.613 1.00 0.15 C ATOM 757 CD1 TRP B 179 -1.891 0.615 8.261 1.00 0.16 C ATOM 758 CD2 TRP B 179 -0.646 0.792 6.410 1.00 0.14 C ATOM 759 NE1 TRP B 179 -2.357 1.686 7.540 1.00 0.15 N ATOM 760 CE2 TRP B 179 -1.612 1.815 6.400 1.00 0.14 C ATOM 761 CE3 TRP B 179 0.249 0.704 5.343 1.00 0.16 C ATOM 762 CZ2 TRP B 179 -1.705 2.742 5.367 1.00 0.16 C ATOM 763 CZ3 TRP B 179 0.157 1.621 4.317 1.00 0.18 C ATOM 764 CH2 TRP B 179 -0.815 2.630 4.334 1.00 0.18 C ATOM 0 H TRP B 179 -2.169 -2.452 8.000 1.00 0.13 H new ATOM 0 HA TRP B 179 -0.058 -2.081 6.118 1.00 0.14 H new ATOM 0 HB2 TRP B 179 -0.333 -1.417 9.073 1.00 0.17 H new ATOM 0 HB3 TRP B 179 1.009 -0.901 8.071 1.00 0.17 H new ATOM 0 HD1 TRP B 179 -2.298 0.278 9.203 1.00 0.16 H new ATOM 0 HE1 TRP B 179 -3.134 2.289 7.811 1.00 0.15 H new ATOM 0 HE3 TRP B 179 1.002 -0.070 5.321 1.00 0.16 H new ATOM 0 HZ2 TRP B 179 -2.452 3.522 5.380 1.00 0.16 H new ATOM 0 HZ3 TRP B 179 0.845 1.560 3.487 1.00 0.18 H new ATOM 0 HH2 TRP B 179 -0.863 3.333 3.516 1.00 0.18 H new ATOM 775 N ASP B 180 0.295 -4.405 8.349 1.00 0.13 N ATOM 776 CA ASP B 180 1.154 -5.515 8.743 1.00 0.14 C ATOM 777 C ASP B 180 1.331 -6.492 7.587 1.00 0.11 C ATOM 778 O ASP B 180 2.447 -6.924 7.282 1.00 0.12 O ATOM 779 CB ASP B 180 0.583 -6.235 9.967 1.00 0.19 C ATOM 780 CG ASP B 180 1.299 -7.536 10.264 1.00 1.21 C ATOM 781 OD1 ASP B 180 2.438 -7.496 10.771 1.00 1.82 O ATOM 782 OD2 ASP B 180 0.718 -8.611 10.002 1.00 2.10 O ATOM 0 H ASP B 180 -0.635 -4.416 8.769 1.00 0.13 H new ATOM 0 HA ASP B 180 2.131 -5.111 9.008 1.00 0.14 H new ATOM 0 HB2 ASP B 180 0.653 -5.580 10.835 1.00 0.19 H new ATOM 0 HB3 ASP B 180 -0.476 -6.436 9.804 1.00 0.19 H new ATOM 787 N ASP B 181 0.230 -6.818 6.927 1.00 0.11 N ATOM 788 CA ASP B 181 0.260 -7.748 5.806 1.00 0.12 C ATOM 789 C ASP B 181 0.950 -7.113 4.612 1.00 0.11 C ATOM 790 O ASP B 181 1.665 -7.783 3.860 1.00 0.13 O ATOM 791 CB ASP B 181 -1.154 -8.195 5.428 1.00 0.16 C ATOM 792 CG ASP B 181 -1.832 -8.974 6.536 1.00 0.23 C ATOM 793 OD1 ASP B 181 -1.579 -10.191 6.655 1.00 1.03 O ATOM 794 OD2 ASP B 181 -2.614 -8.373 7.301 1.00 0.81 O ATOM 0 H ASP B 181 -0.696 -6.453 7.148 1.00 0.11 H new ATOM 0 HA ASP B 181 0.825 -8.629 6.110 1.00 0.12 H new ATOM 0 HB2 ASP B 181 -1.755 -7.319 5.184 1.00 0.16 H new ATOM 0 HB3 ASP B 181 -1.109 -8.811 4.530 1.00 0.16 H new ATOM 799 N ILE B 182 0.746 -5.813 4.444 1.00 0.11 N ATOM 800 CA ILE B 182 1.419 -5.077 3.392 1.00 0.14 C ATOM 801 C ILE B 182 2.913 -5.029 3.660 1.00 0.13 C ATOM 802 O ILE B 182 3.710 -5.257 2.757 1.00 0.13 O ATOM 803 CB ILE B 182 0.858 -3.647 3.232 1.00 0.16 C ATOM 804 CG1 ILE B 182 -0.530 -3.702 2.602 1.00 0.17 C ATOM 805 CG2 ILE B 182 1.787 -2.785 2.390 1.00 0.26 C ATOM 806 CD1 ILE B 182 -1.147 -2.345 2.386 1.00 0.20 C ATOM 0 H ILE B 182 0.121 -5.252 5.023 1.00 0.11 H new ATOM 0 HA ILE B 182 1.236 -5.604 2.456 1.00 0.14 H new ATOM 0 HB ILE B 182 0.785 -3.194 4.221 1.00 0.16 H new ATOM 0 HG12 ILE B 182 -0.465 -4.219 1.645 1.00 0.17 H new ATOM 0 HG13 ILE B 182 -1.187 -4.293 3.240 1.00 0.17 H new ATOM 0 HG21 ILE B 182 1.367 -1.784 2.294 1.00 0.26 H new ATOM 0 HG22 ILE B 182 2.763 -2.724 2.871 1.00 0.26 H new ATOM 0 HG23 ILE B 182 1.898 -3.228 1.400 1.00 0.26 H new ATOM 0 HD11 ILE B 182 -2.133 -2.461 1.935 1.00 0.20 H new ATOM 0 HD12 ILE B 182 -1.244 -1.833 3.343 1.00 0.20 H new ATOM 0 HD13 ILE B 182 -0.512 -1.758 1.723 1.00 0.20 H new ATOM 818 N GLU B 183 3.294 -4.764 4.907 1.00 0.13 N ATOM 819 CA GLU B 183 4.700 -4.759 5.283 1.00 0.15 C ATOM 820 C GLU B 183 5.330 -6.109 4.988 1.00 0.13 C ATOM 821 O GLU B 183 6.477 -6.187 4.565 1.00 0.14 O ATOM 822 CB GLU B 183 4.869 -4.428 6.768 1.00 0.18 C ATOM 823 CG GLU B 183 6.323 -4.298 7.194 1.00 0.27 C ATOM 824 CD GLU B 183 6.484 -4.038 8.674 1.00 0.34 C ATOM 825 OE1 GLU B 183 6.315 -2.878 9.105 1.00 1.07 O ATOM 826 OE2 GLU B 183 6.799 -4.986 9.417 1.00 1.09 O ATOM 0 H GLU B 183 2.650 -4.551 5.669 1.00 0.13 H new ATOM 0 HA GLU B 183 5.201 -3.990 4.695 1.00 0.15 H new ATOM 0 HB2 GLU B 183 4.349 -3.495 6.987 1.00 0.18 H new ATOM 0 HB3 GLU B 183 4.392 -5.206 7.363 1.00 0.18 H new ATOM 0 HG2 GLU B 183 6.856 -5.212 6.931 1.00 0.27 H new ATOM 0 HG3 GLU B 183 6.788 -3.486 6.635 1.00 0.27 H new ATOM 833 N ALA B 184 4.568 -7.175 5.196 1.00 0.13 N ATOM 834 CA ALA B 184 5.051 -8.515 4.918 1.00 0.13 C ATOM 835 C ALA B 184 5.265 -8.706 3.422 1.00 0.12 C ATOM 836 O ALA B 184 6.239 -9.328 2.996 1.00 0.13 O ATOM 837 CB ALA B 184 4.072 -9.546 5.451 1.00 0.15 C ATOM 0 H ALA B 184 3.614 -7.135 5.556 1.00 0.13 H new ATOM 0 HA ALA B 184 6.009 -8.651 5.421 1.00 0.13 H new ATOM 0 HB1 ALA B 184 4.445 -10.547 5.236 1.00 0.15 H new ATOM 0 HB2 ALA B 184 3.964 -9.422 6.529 1.00 0.15 H new ATOM 0 HB3 ALA B 184 3.103 -9.410 4.971 1.00 0.15 H new ATOM 843 N LEU B 185 4.374 -8.126 2.629 1.00 0.12 N ATOM 844 CA LEU B 185 4.457 -8.240 1.182 1.00 0.12 C ATOM 845 C LEU B 185 5.658 -7.471 0.659 1.00 0.11 C ATOM 846 O LEU B 185 6.379 -7.945 -0.210 1.00 0.11 O ATOM 847 CB LEU B 185 3.180 -7.718 0.525 1.00 0.14 C ATOM 848 CG LEU B 185 3.222 -7.638 -1.001 1.00 0.15 C ATOM 849 CD1 LEU B 185 3.421 -9.015 -1.613 1.00 0.16 C ATOM 850 CD2 LEU B 185 1.950 -7.000 -1.526 1.00 0.17 C ATOM 0 H LEU B 185 3.586 -7.572 2.965 1.00 0.12 H new ATOM 0 HA LEU B 185 4.573 -9.294 0.930 1.00 0.12 H new ATOM 0 HB2 LEU B 185 2.350 -8.362 0.817 1.00 0.14 H new ATOM 0 HB3 LEU B 185 2.967 -6.725 0.920 1.00 0.14 H new ATOM 0 HG LEU B 185 4.071 -7.017 -1.289 1.00 0.15 H new ATOM 0 HD11 LEU B 185 3.447 -8.930 -2.699 1.00 0.16 H new ATOM 0 HD12 LEU B 185 4.361 -9.438 -1.259 1.00 0.16 H new ATOM 0 HD13 LEU B 185 2.597 -9.666 -1.320 1.00 0.16 H new ATOM 0 HD21 LEU B 185 1.991 -6.948 -2.614 1.00 0.17 H new ATOM 0 HD22 LEU B 185 1.091 -7.599 -1.223 1.00 0.17 H new ATOM 0 HD23 LEU B 185 1.853 -5.994 -1.118 1.00 0.17 H new ATOM 862 N LEU B 186 5.869 -6.286 1.205 1.00 0.10 N ATOM 863 CA LEU B 186 6.988 -5.449 0.805 1.00 0.09 C ATOM 864 C LEU B 186 8.296 -6.016 1.323 1.00 0.09 C ATOM 865 O LEU B 186 9.344 -5.828 0.718 1.00 0.08 O ATOM 866 CB LEU B 186 6.798 -4.016 1.302 1.00 0.10 C ATOM 867 CG LEU B 186 5.963 -3.109 0.391 1.00 0.10 C ATOM 868 CD1 LEU B 186 6.582 -3.047 -0.991 1.00 0.09 C ATOM 869 CD2 LEU B 186 4.526 -3.591 0.302 1.00 0.14 C ATOM 0 H LEU B 186 5.277 -5.880 1.930 1.00 0.10 H new ATOM 0 HA LEU B 186 7.025 -5.435 -0.284 1.00 0.09 H new ATOM 0 HB2 LEU B 186 6.326 -4.050 2.284 1.00 0.10 H new ATOM 0 HB3 LEU B 186 7.780 -3.563 1.436 1.00 0.10 H new ATOM 0 HG LEU B 186 5.955 -2.109 0.824 1.00 0.10 H new ATOM 0 HD11 LEU B 186 5.981 -2.400 -1.630 1.00 0.09 H new ATOM 0 HD12 LEU B 186 7.594 -2.648 -0.919 1.00 0.09 H new ATOM 0 HD13 LEU B 186 6.617 -4.049 -1.419 1.00 0.09 H new ATOM 0 HD21 LEU B 186 3.959 -2.927 -0.351 1.00 0.14 H new ATOM 0 HD22 LEU B 186 4.506 -4.603 -0.103 1.00 0.14 H new ATOM 0 HD23 LEU B 186 4.080 -3.590 1.296 1.00 0.14 H new ATOM 881 N LYS B 187 8.226 -6.719 2.438 1.00 0.11 N ATOM 882 CA LYS B 187 9.396 -7.365 3.001 1.00 0.12 C ATOM 883 C LYS B 187 9.833 -8.507 2.098 1.00 0.13 C ATOM 884 O LYS B 187 11.021 -8.706 1.854 1.00 0.14 O ATOM 885 CB LYS B 187 9.103 -7.865 4.415 1.00 0.15 C ATOM 886 CG LYS B 187 10.323 -8.417 5.129 1.00 0.22 C ATOM 887 CD LYS B 187 10.062 -8.618 6.614 1.00 0.29 C ATOM 888 CE LYS B 187 8.921 -9.591 6.863 1.00 0.78 C ATOM 889 NZ LYS B 187 8.658 -9.776 8.312 1.00 1.62 N ATOM 0 H LYS B 187 7.368 -6.857 2.973 1.00 0.11 H new ATOM 0 HA LYS B 187 10.209 -6.641 3.066 1.00 0.12 H new ATOM 0 HB2 LYS B 187 8.688 -7.046 5.002 1.00 0.15 H new ATOM 0 HB3 LYS B 187 8.339 -8.641 4.366 1.00 0.15 H new ATOM 0 HG2 LYS B 187 10.610 -9.367 4.678 1.00 0.22 H new ATOM 0 HG3 LYS B 187 11.162 -7.735 4.996 1.00 0.22 H new ATOM 0 HD2 LYS B 187 10.967 -8.989 7.095 1.00 0.29 H new ATOM 0 HD3 LYS B 187 9.828 -7.658 7.074 1.00 0.29 H new ATOM 0 HE2 LYS B 187 8.018 -9.225 6.374 1.00 0.78 H new ATOM 0 HE3 LYS B 187 9.160 -10.554 6.411 1.00 0.78 H new ATOM 0 HZ1 LYS B 187 7.873 -10.446 8.440 1.00 1.62 H new ATOM 0 HZ2 LYS B 187 9.511 -10.150 8.775 1.00 1.62 H new ATOM 0 HZ3 LYS B 187 8.405 -8.862 8.738 1.00 1.62 H new ATOM 903 N ASN B 188 8.857 -9.248 1.598 1.00 0.15 N ATOM 904 CA ASN B 188 9.108 -10.289 0.616 1.00 0.19 C ATOM 905 C ASN B 188 9.565 -9.684 -0.709 1.00 0.18 C ATOM 906 O ASN B 188 10.448 -10.215 -1.379 1.00 0.24 O ATOM 907 CB ASN B 188 7.836 -11.117 0.416 1.00 0.24 C ATOM 908 CG ASN B 188 7.943 -12.103 -0.732 1.00 0.75 C ATOM 909 OD1 ASN B 188 8.436 -13.219 -0.567 1.00 0.74 O ATOM 910 ND2 ASN B 188 7.464 -11.701 -1.900 1.00 1.37 N ATOM 0 H ASN B 188 7.876 -9.146 1.859 1.00 0.15 H new ATOM 0 HA ASN B 188 9.905 -10.936 0.981 1.00 0.19 H new ATOM 0 HB2 ASN B 188 7.615 -11.660 1.335 1.00 0.24 H new ATOM 0 HB3 ASN B 188 6.997 -10.445 0.233 1.00 0.24 H new ATOM 0 HD21 ASN B 188 7.495 -12.325 -2.706 1.00 1.37 H new ATOM 0 HD22 ASN B 188 7.064 -10.767 -1.993 1.00 1.37 H new ATOM 917 N ASN B 189 8.960 -8.562 -1.072 1.00 0.13 N ATOM 918 CA ASN B 189 9.263 -7.875 -2.324 1.00 0.14 C ATOM 919 C ASN B 189 10.685 -7.327 -2.312 1.00 0.13 C ATOM 920 O ASN B 189 11.380 -7.332 -3.330 1.00 0.16 O ATOM 921 CB ASN B 189 8.270 -6.732 -2.533 1.00 0.13 C ATOM 922 CG ASN B 189 8.383 -6.089 -3.902 1.00 0.18 C ATOM 923 OD1 ASN B 189 9.154 -5.148 -4.106 1.00 0.20 O ATOM 924 ND2 ASN B 189 7.601 -6.583 -4.848 1.00 0.22 N ATOM 0 H ASN B 189 8.245 -8.101 -0.509 1.00 0.13 H new ATOM 0 HA ASN B 189 9.178 -8.590 -3.142 1.00 0.14 H new ATOM 0 HB2 ASN B 189 7.257 -7.110 -2.398 1.00 0.13 H new ATOM 0 HB3 ASN B 189 8.432 -5.973 -1.767 1.00 0.13 H new ATOM 0 HD21 ASN B 189 7.622 -6.185 -5.787 1.00 0.22 H new ATOM 0 HD22 ASN B 189 6.977 -7.362 -4.639 1.00 0.22 H new ATOM 931 N PHE B 190 11.115 -6.887 -1.142 1.00 0.10 N ATOM 932 CA PHE B 190 12.418 -6.275 -0.965 1.00 0.10 C ATOM 933 C PHE B 190 13.332 -7.186 -0.158 1.00 0.11 C ATOM 934 O PHE B 190 14.051 -6.704 0.712 1.00 0.12 O ATOM 935 CB PHE B 190 12.302 -4.914 -0.280 1.00 0.09 C ATOM 936 CG PHE B 190 11.811 -3.812 -1.176 1.00 0.10 C ATOM 937 CD1 PHE B 190 12.686 -3.166 -2.033 1.00 1.18 C ATOM 938 CD2 PHE B 190 10.484 -3.414 -1.154 1.00 1.17 C ATOM 939 CE1 PHE B 190 12.249 -2.144 -2.851 1.00 1.18 C ATOM 940 CE2 PHE B 190 10.042 -2.390 -1.974 1.00 1.18 C ATOM 941 CZ PHE B 190 10.926 -1.756 -2.822 1.00 0.14 C ATOM 0 H PHE B 190 10.566 -6.945 -0.284 1.00 0.10 H new ATOM 0 HA PHE B 190 12.850 -6.125 -1.955 1.00 0.10 H new ATOM 0 HB2 PHE B 190 11.626 -5.004 0.570 1.00 0.09 H new ATOM 0 HB3 PHE B 190 13.278 -4.636 0.118 1.00 0.09 H new ATOM 0 HD1 PHE B 190 13.723 -3.466 -2.062 1.00 1.18 H new ATOM 0 HD2 PHE B 190 9.788 -3.907 -0.491 1.00 1.17 H new ATOM 0 HE1 PHE B 190 12.943 -1.648 -3.514 1.00 1.18 H new ATOM 0 HE2 PHE B 190 9.005 -2.088 -1.950 1.00 1.18 H new ATOM 0 HZ PHE B 190 10.583 -0.957 -3.462 1.00 0.14 H new ATOM 951 N GLU B 191 13.126 -8.499 -0.331 1.00 0.14 N ATOM 952 CA GLU B 191 14.036 -9.593 0.119 1.00 0.20 C ATOM 953 C GLU B 191 15.557 -9.328 -0.046 1.00 0.21 C ATOM 954 O GLU B 191 16.316 -10.223 -0.422 1.00 0.21 O ATOM 955 CB GLU B 191 13.674 -10.884 -0.615 1.00 0.29 C ATOM 956 CG GLU B 191 13.620 -10.735 -2.128 1.00 0.37 C ATOM 957 CD GLU B 191 13.487 -12.066 -2.836 1.00 0.84 C ATOM 958 OE1 GLU B 191 12.360 -12.601 -2.905 1.00 1.40 O ATOM 959 OE2 GLU B 191 14.513 -12.588 -3.315 1.00 1.73 O ATOM 0 H GLU B 191 12.295 -8.854 -0.804 1.00 0.14 H new ATOM 0 HA GLU B 191 13.875 -9.665 1.195 1.00 0.20 H new ATOM 0 HB2 GLU B 191 14.404 -11.653 -0.361 1.00 0.29 H new ATOM 0 HB3 GLU B 191 12.705 -11.234 -0.259 1.00 0.29 H new ATOM 0 HG2 GLU B 191 12.778 -10.098 -2.397 1.00 0.37 H new ATOM 0 HG3 GLU B 191 14.523 -10.232 -2.473 1.00 0.37 H new ATOM 966 N ASN B 192 15.974 -8.118 0.247 1.00 0.31 N ATOM 967 CA ASN B 192 17.363 -7.696 0.177 1.00 0.44 C ATOM 968 C ASN B 192 17.507 -6.336 0.840 1.00 0.57 C ATOM 969 O ASN B 192 18.447 -6.091 1.594 1.00 1.08 O ATOM 970 CB ASN B 192 17.841 -7.626 -1.275 1.00 0.47 C ATOM 971 CG ASN B 192 19.271 -7.125 -1.401 1.00 0.62 C ATOM 972 OD1 ASN B 192 20.224 -7.901 -1.323 1.00 0.68 O ATOM 973 ND2 ASN B 192 19.434 -5.828 -1.614 1.00 1.16 N ATOM 0 H ASN B 192 15.343 -7.376 0.549 1.00 0.31 H new ATOM 0 HA ASN B 192 17.980 -8.427 0.699 1.00 0.44 H new ATOM 0 HB2 ASN B 192 17.767 -8.616 -1.725 1.00 0.47 H new ATOM 0 HB3 ASN B 192 17.179 -6.969 -1.839 1.00 0.47 H new ATOM 0 HD21 ASN B 192 20.372 -5.442 -1.719 1.00 1.16 H new ATOM 0 HD22 ASN B 192 18.621 -5.215 -1.673 1.00 1.16 H new ATOM 980 N ASP B 193 16.554 -5.459 0.555 1.00 0.21 N ATOM 981 CA ASP B 193 16.561 -4.107 1.092 1.00 0.24 C ATOM 982 C ASP B 193 15.457 -3.926 2.131 1.00 0.20 C ATOM 983 O ASP B 193 14.359 -3.461 1.818 1.00 0.17 O ATOM 984 CB ASP B 193 16.378 -3.095 -0.036 1.00 0.33 C ATOM 985 CG ASP B 193 17.479 -3.160 -1.070 1.00 0.84 C ATOM 986 OD1 ASP B 193 17.401 -4.017 -1.977 1.00 1.27 O ATOM 987 OD2 ASP B 193 18.428 -2.355 -0.987 1.00 1.78 O ATOM 0 H ASP B 193 15.760 -5.664 -0.051 1.00 0.21 H new ATOM 0 HA ASP B 193 17.523 -3.939 1.577 1.00 0.24 H new ATOM 0 HB2 ASP B 193 15.419 -3.271 -0.523 1.00 0.33 H new ATOM 0 HB3 ASP B 193 16.342 -2.091 0.386 1.00 0.33 H new ATOM 992 N GLN B 194 15.755 -4.279 3.369 1.00 0.22 N ATOM 993 CA GLN B 194 14.793 -4.142 4.458 1.00 0.21 C ATOM 994 C GLN B 194 14.523 -2.670 4.730 1.00 0.21 C ATOM 995 O GLN B 194 13.392 -2.265 4.995 1.00 0.25 O ATOM 996 CB GLN B 194 15.317 -4.824 5.721 1.00 0.26 C ATOM 997 CG GLN B 194 15.632 -6.300 5.531 1.00 0.26 C ATOM 998 CD GLN B 194 14.434 -7.103 5.060 1.00 0.25 C ATOM 999 OE1 GLN B 194 13.652 -7.599 5.868 1.00 0.44 O ATOM 1000 NE2 GLN B 194 14.285 -7.246 3.752 1.00 0.35 N ATOM 0 H GLN B 194 16.657 -4.664 3.650 1.00 0.22 H new ATOM 0 HA GLN B 194 13.861 -4.625 4.165 1.00 0.21 H new ATOM 0 HB2 GLN B 194 16.218 -4.309 6.055 1.00 0.26 H new ATOM 0 HB3 GLN B 194 14.577 -4.718 6.514 1.00 0.26 H new ATOM 0 HG2 GLN B 194 16.440 -6.404 4.807 1.00 0.26 H new ATOM 0 HG3 GLN B 194 15.993 -6.714 6.473 1.00 0.26 H new ATOM 0 HE21 GLN B 194 14.955 -6.819 3.113 1.00 0.35 H new ATOM 0 HE22 GLN B 194 13.500 -7.783 3.384 1.00 0.35 H new ATOM 1009 N ALA B 195 15.583 -1.880 4.665 1.00 0.25 N ATOM 1010 CA ALA B 195 15.478 -0.429 4.755 1.00 0.25 C ATOM 1011 C ALA B 195 14.531 0.122 3.693 1.00 0.20 C ATOM 1012 O ALA B 195 13.880 1.144 3.896 1.00 0.19 O ATOM 1013 CB ALA B 195 16.850 0.206 4.619 1.00 0.33 C ATOM 0 H ALA B 195 16.537 -2.223 4.549 1.00 0.25 H new ATOM 0 HA ALA B 195 15.068 -0.180 5.734 1.00 0.25 H new ATOM 0 HB1 ALA B 195 16.758 1.290 4.688 1.00 0.33 H new ATOM 0 HB2 ALA B 195 17.499 -0.154 5.417 1.00 0.33 H new ATOM 0 HB3 ALA B 195 17.280 -0.061 3.654 1.00 0.33 H new ATOM 1019 N ALA B 196 14.428 -0.575 2.570 1.00 0.18 N ATOM 1020 CA ALA B 196 13.538 -0.153 1.504 1.00 0.15 C ATOM 1021 C ALA B 196 12.115 -0.529 1.858 1.00 0.11 C ATOM 1022 O ALA B 196 11.185 0.212 1.569 1.00 0.09 O ATOM 1023 CB ALA B 196 13.943 -0.761 0.177 1.00 0.18 C ATOM 0 H ALA B 196 14.948 -1.431 2.376 1.00 0.18 H new ATOM 0 HA ALA B 196 13.606 0.930 1.398 1.00 0.15 H new ATOM 0 HB1 ALA B 196 13.257 -0.426 -0.601 1.00 0.18 H new ATOM 0 HB2 ALA B 196 14.957 -0.447 -0.073 1.00 0.18 H new ATOM 0 HB3 ALA B 196 13.907 -1.848 0.249 1.00 0.18 H new ATOM 1029 N VAL B 197 11.959 -1.683 2.503 1.00 0.11 N ATOM 1030 CA VAL B 197 10.666 -2.089 3.048 1.00 0.10 C ATOM 1031 C VAL B 197 10.133 -0.998 3.968 1.00 0.11 C ATOM 1032 O VAL B 197 8.968 -0.608 3.896 1.00 0.11 O ATOM 1033 CB VAL B 197 10.774 -3.398 3.857 1.00 0.12 C ATOM 1034 CG1 VAL B 197 9.412 -3.826 4.384 1.00 0.14 C ATOM 1035 CG2 VAL B 197 11.394 -4.501 3.021 1.00 0.11 C ATOM 0 H VAL B 197 12.712 -2.353 2.661 1.00 0.11 H new ATOM 0 HA VAL B 197 9.992 -2.251 2.207 1.00 0.10 H new ATOM 0 HB VAL B 197 11.425 -3.211 4.711 1.00 0.12 H new ATOM 0 HG11 VAL B 197 9.516 -4.751 4.951 1.00 0.14 H new ATOM 0 HG12 VAL B 197 9.011 -3.047 5.032 1.00 0.14 H new ATOM 0 HG13 VAL B 197 8.732 -3.987 3.547 1.00 0.14 H new ATOM 0 HG21 VAL B 197 11.459 -5.414 3.613 1.00 0.11 H new ATOM 0 HG22 VAL B 197 10.776 -4.683 2.142 1.00 0.11 H new ATOM 0 HG23 VAL B 197 12.393 -4.201 2.706 1.00 0.11 H new ATOM 1045 N ARG B 198 11.015 -0.492 4.815 1.00 0.12 N ATOM 1046 CA ARG B 198 10.659 0.551 5.759 1.00 0.14 C ATOM 1047 C ARG B 198 10.238 1.813 5.022 1.00 0.13 C ATOM 1048 O ARG B 198 9.180 2.378 5.293 1.00 0.14 O ATOM 1049 CB ARG B 198 11.835 0.855 6.686 1.00 0.19 C ATOM 1050 CG ARG B 198 12.349 -0.360 7.436 1.00 0.24 C ATOM 1051 CD ARG B 198 13.406 0.027 8.453 1.00 0.35 C ATOM 1052 NE ARG B 198 12.857 0.868 9.516 1.00 1.12 N ATOM 1053 CZ ARG B 198 13.585 1.428 10.479 1.00 1.48 C ATOM 1054 NH1 ARG B 198 14.904 1.271 10.498 1.00 1.02 N ATOM 1055 NH2 ARG B 198 12.990 2.151 11.420 1.00 2.36 N ATOM 0 H ARG B 198 11.989 -0.790 4.867 1.00 0.12 H new ATOM 0 HA ARG B 198 9.820 0.199 6.359 1.00 0.14 H new ATOM 0 HB2 ARG B 198 12.649 1.280 6.099 1.00 0.19 H new ATOM 0 HB3 ARG B 198 11.532 1.615 7.407 1.00 0.19 H new ATOM 0 HG2 ARG B 198 11.520 -0.856 7.941 1.00 0.24 H new ATOM 0 HG3 ARG B 198 12.767 -1.077 6.729 1.00 0.24 H new ATOM 0 HD2 ARG B 198 13.838 -0.874 8.889 1.00 0.35 H new ATOM 0 HD3 ARG B 198 14.215 0.558 7.952 1.00 0.35 H new ATOM 0 HE ARG B 198 11.851 1.036 9.520 1.00 1.12 H new ATOM 0 HH11 ARG B 198 15.362 0.720 9.773 1.00 1.02 H new ATOM 0 HH12 ARG B 198 15.458 1.702 11.238 1.00 1.02 H new ATOM 0 HH21 ARG B 198 11.978 2.276 11.403 1.00 2.36 H new ATOM 0 HH22 ARG B 198 13.545 2.582 12.160 1.00 2.36 H new ATOM 1069 N GLN B 199 11.063 2.231 4.068 1.00 0.13 N ATOM 1070 CA GLN B 199 10.809 3.448 3.304 1.00 0.13 C ATOM 1071 C GLN B 199 9.491 3.377 2.539 1.00 0.12 C ATOM 1072 O GLN B 199 8.731 4.349 2.505 1.00 0.12 O ATOM 1073 CB GLN B 199 11.949 3.702 2.324 1.00 0.14 C ATOM 1074 CG GLN B 199 13.280 3.995 2.990 1.00 0.17 C ATOM 1075 CD GLN B 199 14.401 4.171 1.988 1.00 0.23 C ATOM 1076 OE1 GLN B 199 14.655 5.276 1.507 1.00 0.29 O ATOM 1077 NE2 GLN B 199 15.089 3.087 1.679 1.00 0.25 N ATOM 0 H GLN B 199 11.918 1.742 3.804 1.00 0.13 H new ATOM 0 HA GLN B 199 10.742 4.269 4.018 1.00 0.13 H new ATOM 0 HB2 GLN B 199 12.061 2.831 1.679 1.00 0.14 H new ATOM 0 HB3 GLN B 199 11.683 4.542 1.682 1.00 0.14 H new ATOM 0 HG2 GLN B 199 13.190 4.899 3.593 1.00 0.17 H new ATOM 0 HG3 GLN B 199 13.529 3.181 3.671 1.00 0.17 H new ATOM 0 HE21 GLN B 199 14.845 2.191 2.101 1.00 0.25 H new ATOM 0 HE22 GLN B 199 15.864 3.146 1.019 1.00 0.25 H new ATOM 1086 N VAL B 200 9.202 2.224 1.950 1.00 0.12 N ATOM 1087 CA VAL B 200 8.015 2.095 1.121 1.00 0.12 C ATOM 1088 C VAL B 200 6.773 2.062 1.993 1.00 0.12 C ATOM 1089 O VAL B 200 5.748 2.640 1.641 1.00 0.12 O ATOM 1090 CB VAL B 200 8.047 0.851 0.202 1.00 0.14 C ATOM 1091 CG1 VAL B 200 9.238 0.911 -0.730 1.00 0.16 C ATOM 1092 CG2 VAL B 200 8.070 -0.435 1.006 1.00 0.15 C ATOM 0 H VAL B 200 9.765 1.377 2.030 1.00 0.12 H new ATOM 0 HA VAL B 200 7.992 2.968 0.469 1.00 0.12 H new ATOM 0 HB VAL B 200 7.133 0.856 -0.392 1.00 0.14 H new ATOM 0 HG11 VAL B 200 9.245 0.028 -1.369 1.00 0.16 H new ATOM 0 HG12 VAL B 200 9.171 1.806 -1.348 1.00 0.16 H new ATOM 0 HG13 VAL B 200 10.157 0.942 -0.145 1.00 0.16 H new ATOM 0 HG21 VAL B 200 8.092 -1.288 0.328 1.00 0.15 H new ATOM 0 HG22 VAL B 200 8.957 -0.452 1.640 1.00 0.15 H new ATOM 0 HG23 VAL B 200 7.178 -0.490 1.629 1.00 0.15 H new ATOM 1102 N MET B 201 6.881 1.419 3.150 1.00 0.13 N ATOM 1103 CA MET B 201 5.774 1.357 4.087 1.00 0.15 C ATOM 1104 C MET B 201 5.465 2.735 4.642 1.00 0.12 C ATOM 1105 O MET B 201 4.306 3.116 4.764 1.00 0.14 O ATOM 1106 CB MET B 201 6.079 0.393 5.236 1.00 0.20 C ATOM 1107 CG MET B 201 6.046 -1.068 4.829 1.00 1.01 C ATOM 1108 SD MET B 201 4.464 -1.548 4.109 1.00 1.58 S ATOM 1109 CE MET B 201 3.340 -1.160 5.451 1.00 1.20 C ATOM 0 H MET B 201 7.724 0.935 3.458 1.00 0.13 H new ATOM 0 HA MET B 201 4.903 0.988 3.546 1.00 0.15 H new ATOM 0 HB2 MET B 201 7.063 0.626 5.643 1.00 0.20 H new ATOM 0 HB3 MET B 201 5.357 0.555 6.036 1.00 0.20 H new ATOM 0 HG2 MET B 201 6.842 -1.260 4.110 1.00 1.01 H new ATOM 0 HG3 MET B 201 6.248 -1.690 5.701 1.00 1.01 H new ATOM 0 HE1 MET B 201 2.408 -1.709 5.316 1.00 1.20 H new ATOM 0 HE2 MET B 201 3.794 -1.444 6.400 1.00 1.20 H new ATOM 0 HE3 MET B 201 3.133 -0.090 5.454 1.00 1.20 H new ATOM 1119 N GLU B 202 6.508 3.497 4.935 1.00 0.11 N ATOM 1120 CA GLU B 202 6.339 4.811 5.536 1.00 0.11 C ATOM 1121 C GLU B 202 5.815 5.807 4.517 1.00 0.10 C ATOM 1122 O GLU B 202 5.120 6.759 4.869 1.00 0.10 O ATOM 1123 CB GLU B 202 7.654 5.310 6.118 1.00 0.12 C ATOM 1124 CG GLU B 202 8.102 4.546 7.348 1.00 0.14 C ATOM 1125 CD GLU B 202 9.400 5.079 7.908 1.00 0.19 C ATOM 1126 OE1 GLU B 202 9.477 6.297 8.182 1.00 1.00 O ATOM 1127 OE2 GLU B 202 10.353 4.291 8.062 1.00 1.06 O ATOM 0 H GLU B 202 7.478 3.229 4.767 1.00 0.11 H new ATOM 0 HA GLU B 202 5.610 4.718 6.341 1.00 0.11 H new ATOM 0 HB2 GLU B 202 8.429 5.240 5.355 1.00 0.12 H new ATOM 0 HB3 GLU B 202 7.552 6.365 6.373 1.00 0.12 H new ATOM 0 HG2 GLU B 202 7.327 4.604 8.112 1.00 0.14 H new ATOM 0 HG3 GLU B 202 8.222 3.492 7.096 1.00 0.14 H new ATOM 1134 N ARG B 203 6.133 5.576 3.251 1.00 0.09 N ATOM 1135 CA ARG B 203 5.675 6.456 2.189 1.00 0.09 C ATOM 1136 C ARG B 203 4.226 6.136 1.842 1.00 0.08 C ATOM 1137 O ARG B 203 3.442 7.031 1.538 1.00 0.09 O ATOM 1138 CB ARG B 203 6.578 6.337 0.959 1.00 0.10 C ATOM 1139 CG ARG B 203 6.142 7.207 -0.208 1.00 0.21 C ATOM 1140 CD ARG B 203 7.168 7.187 -1.327 1.00 0.15 C ATOM 1141 NE ARG B 203 6.657 7.788 -2.558 1.00 0.47 N ATOM 1142 CZ ARG B 203 7.387 7.979 -3.655 1.00 0.40 C ATOM 1143 NH1 ARG B 203 8.677 7.670 -3.667 1.00 0.60 N ATOM 1144 NH2 ARG B 203 6.824 8.488 -4.742 1.00 0.79 N ATOM 0 H ARG B 203 6.703 4.791 2.937 1.00 0.09 H new ATOM 0 HA ARG B 203 5.728 7.488 2.536 1.00 0.09 H new ATOM 0 HB2 ARG B 203 7.596 6.606 1.240 1.00 0.10 H new ATOM 0 HB3 ARG B 203 6.601 5.296 0.636 1.00 0.10 H new ATOM 0 HG2 ARG B 203 5.182 6.856 -0.586 1.00 0.21 H new ATOM 0 HG3 ARG B 203 5.995 8.231 0.135 1.00 0.21 H new ATOM 0 HD2 ARG B 203 8.062 7.723 -1.007 1.00 0.15 H new ATOM 0 HD3 ARG B 203 7.467 6.158 -1.525 1.00 0.15 H new ATOM 0 HE ARG B 203 5.680 8.079 -2.578 1.00 0.47 H new ATOM 0 HH11 ARG B 203 9.117 7.283 -2.832 1.00 0.60 H new ATOM 0 HH12 ARG B 203 9.229 7.819 -4.511 1.00 0.60 H new ATOM 0 HH21 ARG B 203 5.834 8.732 -4.737 1.00 0.79 H new ATOM 0 HH22 ARG B 203 7.381 8.635 -5.584 1.00 0.79 H new ATOM 1158 N LEU B 204 3.879 4.854 1.885 1.00 0.08 N ATOM 1159 CA LEU B 204 2.492 4.426 1.727 1.00 0.08 C ATOM 1160 C LEU B 204 1.618 4.968 2.855 1.00 0.08 C ATOM 1161 O LEU B 204 0.501 5.415 2.617 1.00 0.08 O ATOM 1162 CB LEU B 204 2.400 2.900 1.691 1.00 0.08 C ATOM 1163 CG LEU B 204 2.928 2.235 0.418 1.00 0.08 C ATOM 1164 CD1 LEU B 204 3.018 0.728 0.602 1.00 0.09 C ATOM 1165 CD2 LEU B 204 2.033 2.567 -0.765 1.00 0.09 C ATOM 0 H LEU B 204 4.540 4.091 2.028 1.00 0.08 H new ATOM 0 HA LEU B 204 2.128 4.828 0.781 1.00 0.08 H new ATOM 0 HB2 LEU B 204 2.950 2.501 2.543 1.00 0.08 H new ATOM 0 HB3 LEU B 204 1.357 2.614 1.823 1.00 0.08 H new ATOM 0 HG LEU B 204 3.928 2.621 0.218 1.00 0.08 H new ATOM 0 HD11 LEU B 204 3.395 0.272 -0.313 1.00 0.09 H new ATOM 0 HD12 LEU B 204 3.695 0.502 1.426 1.00 0.09 H new ATOM 0 HD13 LEU B 204 2.029 0.329 0.825 1.00 0.09 H new ATOM 0 HD21 LEU B 204 2.423 2.086 -1.662 1.00 0.09 H new ATOM 0 HD22 LEU B 204 1.023 2.206 -0.570 1.00 0.09 H new ATOM 0 HD23 LEU B 204 2.011 3.647 -0.913 1.00 0.09 H new ATOM 1177 N GLN B 205 2.135 4.928 4.078 1.00 0.10 N ATOM 1178 CA GLN B 205 1.393 5.402 5.245 1.00 0.12 C ATOM 1179 C GLN B 205 1.237 6.918 5.212 1.00 0.11 C ATOM 1180 O GLN B 205 0.139 7.450 5.402 1.00 0.13 O ATOM 1181 CB GLN B 205 2.099 4.983 6.534 1.00 0.17 C ATOM 1182 CG GLN B 205 2.128 3.481 6.752 1.00 0.65 C ATOM 1183 CD GLN B 205 2.965 3.080 7.952 1.00 0.76 C ATOM 1184 OE1 GLN B 205 3.934 3.758 8.303 1.00 1.30 O ATOM 1185 NE2 GLN B 205 2.603 1.975 8.584 1.00 0.81 N ATOM 0 H GLN B 205 3.067 4.572 4.289 1.00 0.10 H new ATOM 0 HA GLN B 205 0.402 4.949 5.218 1.00 0.12 H new ATOM 0 HB2 GLN B 205 3.122 5.359 6.516 1.00 0.17 H new ATOM 0 HB3 GLN B 205 1.601 5.455 7.381 1.00 0.17 H new ATOM 0 HG2 GLN B 205 1.109 3.118 6.887 1.00 0.65 H new ATOM 0 HG3 GLN B 205 2.524 2.996 5.860 1.00 0.65 H new ATOM 0 HE21 GLN B 205 1.795 1.444 8.260 1.00 0.81 H new ATOM 0 HE22 GLN B 205 3.132 1.655 9.395 1.00 0.81 H new ATOM 1194 N LYS B 206 2.342 7.606 4.964 1.00 0.10 N ATOM 1195 CA LYS B 206 2.342 9.054 4.861 1.00 0.11 C ATOM 1196 C LYS B 206 1.415 9.493 3.741 1.00 0.09 C ATOM 1197 O LYS B 206 0.564 10.362 3.922 1.00 0.09 O ATOM 1198 CB LYS B 206 3.764 9.554 4.605 1.00 0.14 C ATOM 1199 CG LYS B 206 3.870 11.052 4.395 1.00 0.20 C ATOM 1200 CD LYS B 206 5.308 11.464 4.128 1.00 0.32 C ATOM 1201 CE LYS B 206 5.421 12.949 3.834 1.00 0.93 C ATOM 1202 NZ LYS B 206 6.820 13.351 3.535 1.00 1.52 N ATOM 0 H LYS B 206 3.258 7.177 4.830 1.00 0.10 H new ATOM 0 HA LYS B 206 1.983 9.482 5.797 1.00 0.11 H new ATOM 0 HB2 LYS B 206 4.393 9.272 5.449 1.00 0.14 H new ATOM 0 HB3 LYS B 206 4.162 9.047 3.726 1.00 0.14 H new ATOM 0 HG2 LYS B 206 3.241 11.351 3.557 1.00 0.20 H new ATOM 0 HG3 LYS B 206 3.496 11.574 5.276 1.00 0.20 H new ATOM 0 HD2 LYS B 206 5.924 11.216 4.992 1.00 0.32 H new ATOM 0 HD3 LYS B 206 5.699 10.895 3.284 1.00 0.32 H new ATOM 0 HE2 LYS B 206 4.782 13.201 2.987 1.00 0.93 H new ATOM 0 HE3 LYS B 206 5.055 13.517 4.689 1.00 0.93 H new ATOM 0 HZ1 LYS B 206 6.854 14.372 3.340 1.00 1.52 H new ATOM 0 HZ2 LYS B 206 7.426 13.134 4.352 1.00 1.52 H new ATOM 0 HZ3 LYS B 206 7.161 12.828 2.703 1.00 1.52 H new ATOM 1216 N GLY B 207 1.585 8.872 2.584 1.00 0.10 N ATOM 1217 CA GLY B 207 0.730 9.143 1.455 1.00 0.10 C ATOM 1218 C GLY B 207 -0.727 8.856 1.743 1.00 0.08 C ATOM 1219 O GLY B 207 -1.601 9.572 1.276 1.00 0.09 O ATOM 0 H GLY B 207 2.311 8.177 2.409 1.00 0.10 H new ATOM 0 HA2 GLY B 207 0.840 10.188 1.164 1.00 0.10 H new ATOM 0 HA3 GLY B 207 1.054 8.540 0.606 1.00 0.10 H new ATOM 1223 N TRP B 208 -0.989 7.808 2.506 1.00 0.08 N ATOM 1224 CA TRP B 208 -2.347 7.490 2.928 1.00 0.08 C ATOM 1225 C TRP B 208 -2.926 8.648 3.735 1.00 0.09 C ATOM 1226 O TRP B 208 -4.103 8.984 3.613 1.00 0.11 O ATOM 1227 CB TRP B 208 -2.357 6.203 3.758 1.00 0.09 C ATOM 1228 CG TRP B 208 -3.727 5.760 4.168 1.00 0.08 C ATOM 1229 CD1 TRP B 208 -4.324 5.958 5.379 1.00 0.09 C ATOM 1230 CD2 TRP B 208 -4.670 5.044 3.367 1.00 0.10 C ATOM 1231 NE1 TRP B 208 -5.584 5.415 5.375 1.00 0.12 N ATOM 1232 CE2 TRP B 208 -5.819 4.847 4.153 1.00 0.12 C ATOM 1233 CE3 TRP B 208 -4.654 4.551 2.060 1.00 0.12 C ATOM 1234 CZ2 TRP B 208 -6.944 4.179 3.675 1.00 0.15 C ATOM 1235 CZ3 TRP B 208 -5.770 3.889 1.586 1.00 0.14 C ATOM 1236 CH2 TRP B 208 -6.900 3.709 2.393 1.00 0.16 C ATOM 0 H TRP B 208 -0.279 7.160 2.848 1.00 0.08 H new ATOM 0 HA TRP B 208 -2.965 7.335 2.044 1.00 0.08 H new ATOM 0 HB2 TRP B 208 -1.885 5.407 3.183 1.00 0.09 H new ATOM 0 HB3 TRP B 208 -1.751 6.353 4.652 1.00 0.09 H new ATOM 0 HD1 TRP B 208 -3.871 6.467 6.217 1.00 0.09 H new ATOM 0 HE1 TRP B 208 -6.239 5.432 6.157 1.00 0.12 H new ATOM 0 HE3 TRP B 208 -3.786 4.685 1.432 1.00 0.12 H new ATOM 0 HZ2 TRP B 208 -7.818 4.038 4.294 1.00 0.15 H new ATOM 0 HZ3 TRP B 208 -5.771 3.504 0.577 1.00 0.14 H new ATOM 0 HH2 TRP B 208 -7.756 3.187 1.993 1.00 0.16 H new ATOM 1247 N SER B 209 -2.077 9.264 4.544 1.00 0.10 N ATOM 1248 CA SER B 209 -2.471 10.406 5.357 1.00 0.12 C ATOM 1249 C SER B 209 -2.637 11.662 4.495 1.00 0.12 C ATOM 1250 O SER B 209 -3.423 12.551 4.822 1.00 0.16 O ATOM 1251 CB SER B 209 -1.420 10.640 6.448 1.00 0.15 C ATOM 1252 OG SER B 209 -1.749 11.749 7.269 1.00 1.18 O ATOM 0 H SER B 209 -1.101 8.989 4.656 1.00 0.10 H new ATOM 0 HA SER B 209 -3.434 10.192 5.821 1.00 0.12 H new ATOM 0 HB2 SER B 209 -1.331 9.745 7.064 1.00 0.15 H new ATOM 0 HB3 SER B 209 -0.447 10.806 5.985 1.00 0.15 H new ATOM 0 HG SER B 209 -1.057 11.866 7.953 1.00 1.18 H new ATOM 1258 N LEU B 210 -1.910 11.719 3.386 1.00 0.10 N ATOM 1259 CA LEU B 210 -1.939 12.889 2.512 1.00 0.11 C ATOM 1260 C LEU B 210 -3.125 12.828 1.556 1.00 0.11 C ATOM 1261 O LEU B 210 -3.753 13.842 1.259 1.00 0.12 O ATOM 1262 CB LEU B 210 -0.641 12.993 1.708 1.00 0.10 C ATOM 1263 CG LEU B 210 0.640 13.110 2.535 1.00 0.11 C ATOM 1264 CD1 LEU B 210 1.853 13.184 1.624 1.00 0.11 C ATOM 1265 CD2 LEU B 210 0.584 14.327 3.448 1.00 0.15 C ATOM 0 H LEU B 210 -1.293 10.971 3.069 1.00 0.10 H new ATOM 0 HA LEU B 210 -2.042 13.771 3.144 1.00 0.11 H new ATOM 0 HB2 LEU B 210 -0.560 12.115 1.067 1.00 0.10 H new ATOM 0 HB3 LEU B 210 -0.709 13.861 1.052 1.00 0.10 H new ATOM 0 HG LEU B 210 0.727 12.220 3.159 1.00 0.11 H new ATOM 0 HD11 LEU B 210 2.757 13.267 2.228 1.00 0.11 H new ATOM 0 HD12 LEU B 210 1.906 12.282 1.014 1.00 0.11 H new ATOM 0 HD13 LEU B 210 1.768 14.056 0.976 1.00 0.11 H new ATOM 0 HD21 LEU B 210 1.505 14.390 4.027 1.00 0.15 H new ATOM 0 HD22 LEU B 210 0.471 15.229 2.846 1.00 0.15 H new ATOM 0 HD23 LEU B 210 -0.265 14.235 4.126 1.00 0.15 H new ATOM 1277 N ALA B 211 -3.434 11.627 1.098 1.00 0.11 N ATOM 1278 CA ALA B 211 -4.480 11.415 0.111 1.00 0.14 C ATOM 1279 C ALA B 211 -5.803 11.075 0.782 1.00 0.23 C ATOM 1280 O ALA B 211 -6.611 10.328 0.233 1.00 0.37 O ATOM 1281 CB ALA B 211 -4.079 10.296 -0.841 1.00 0.20 C ATOM 0 H ALA B 211 -2.967 10.772 1.399 1.00 0.11 H new ATOM 0 HA ALA B 211 -4.609 12.339 -0.452 1.00 0.14 H new ATOM 0 HB1 ALA B 211 -4.869 10.144 -1.577 1.00 0.20 H new ATOM 0 HB2 ALA B 211 -3.154 10.566 -1.351 1.00 0.20 H new ATOM 0 HB3 ALA B 211 -3.927 9.376 -0.277 1.00 0.20 H new ATOM 1287 N LYS B 212 -6.014 11.613 1.973 1.00 0.28 N ATOM 1288 CA LYS B 212 -7.224 11.342 2.732 1.00 0.43 C ATOM 1289 C LYS B 212 -8.466 11.881 2.021 1.00 0.71 C ATOM 1290 O LYS B 212 -8.546 13.105 1.791 1.00 1.30 O ATOM 1291 CB LYS B 212 -7.113 11.923 4.147 1.00 0.42 C ATOM 1292 CG LYS B 212 -6.797 13.408 4.193 1.00 1.07 C ATOM 1293 CD LYS B 212 -6.812 13.929 5.620 1.00 1.04 C ATOM 1294 CE LYS B 212 -6.554 15.423 5.670 1.00 1.86 C ATOM 1295 NZ LYS B 212 -6.615 15.947 7.059 1.00 2.34 N ATOM 1296 OXT LYS B 212 -9.369 11.075 1.714 1.00 1.13 O ATOM 0 H LYS B 212 -5.359 12.243 2.436 1.00 0.28 H new ATOM 0 HA LYS B 212 -7.333 10.260 2.808 1.00 0.43 H new ATOM 0 HB2 LYS B 212 -8.051 11.747 4.673 1.00 0.42 H new ATOM 0 HB3 LYS B 212 -6.337 11.382 4.689 1.00 0.42 H new ATOM 0 HG2 LYS B 212 -5.819 13.588 3.748 1.00 1.07 H new ATOM 0 HG3 LYS B 212 -7.525 13.956 3.595 1.00 1.07 H new ATOM 0 HD2 LYS B 212 -7.776 13.710 6.078 1.00 1.04 H new ATOM 0 HD3 LYS B 212 -6.055 13.408 6.206 1.00 1.04 H new ATOM 0 HE2 LYS B 212 -5.574 15.637 5.243 1.00 1.86 H new ATOM 0 HE3 LYS B 212 -7.290 15.940 5.054 1.00 1.86 H new ATOM 0 HZ1 LYS B 212 -6.434 16.971 7.052 1.00 2.34 H new ATOM 0 HZ2 LYS B 212 -7.558 15.765 7.458 1.00 2.34 H new ATOM 0 HZ3 LYS B 212 -5.896 15.472 7.641 1.00 2.34 H new