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 30:sc= 0.146 USER MOD Single : A 187 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 ASN : amide:sc= -0.066 X(o=-0.066,f=0) USER MOD Single : A 189 ASN : amide:sc=-0.00215 X(o=-0.0021,f=0.07) USER MOD Single : A 192 ASN : amide:sc= 1.11 K(o=1.1,f=-0.058) USER MOD Single : A 194 GLN : amide:sc= -0.154 K(o=-0.15,f=-2.6!) USER MOD Single : A 199 GLN : amide:sc= -0.494 X(o=-0.49,f=0) USER MOD Single : A 201 MET CE :methyl -154:sc= -0.419 (180deg=-2.12) USER MOD Single : A 205 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 SER OG : rot 72:sc= 0.942 USER MOD Single : B 176 THR OG1 : rot 22:sc= 0.133 USER MOD Single : B 187 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 188 ASN : amide:sc= -0.0511 X(o=-0.051,f=0) USER MOD Single : B 189 ASN : amide:sc=-0.00177 X(o=-0.0018,f=0.057) USER MOD Single : B 192 ASN : amide:sc= 1.12 K(o=1.1,f=-0.064) USER MOD Single : B 194 GLN : amide:sc= -0.126 K(o=-0.13,f=-2.4!) USER MOD Single : B 199 GLN : amide:sc= -0.477 X(o=-0.48,f=0) USER MOD Single : B 201 MET CE :methyl -156:sc= -0.459 (180deg=-2.18) USER MOD Single : B 205 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 SER OG : rot 71:sc= 0.891 USER MOD Single : B 212 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N THR A 176 9.897 1.084 -5.820 1.00 0.23 N ATOM 53 CA THR A 176 8.762 0.555 -6.556 1.00 0.24 C ATOM 54 C THR A 176 7.866 -0.275 -5.641 1.00 0.20 C ATOM 55 O THR A 176 8.349 -1.068 -4.830 1.00 0.21 O ATOM 56 CB THR A 176 9.225 -0.311 -7.742 1.00 0.31 C ATOM 57 OG1 THR A 176 10.147 0.427 -8.554 1.00 0.34 O ATOM 58 CG2 THR A 176 8.039 -0.757 -8.589 1.00 0.37 C ATOM 0 HA THR A 176 8.196 1.404 -6.940 1.00 0.24 H new ATOM 0 HB THR A 176 9.717 -1.198 -7.344 1.00 0.31 H new ATOM 0 HG1 THR A 176 10.639 1.064 -7.994 1.00 0.34 H new ATOM 0 HG21 THR A 176 8.394 -1.367 -9.420 1.00 0.37 H new ATOM 0 HG22 THR A 176 7.354 -1.342 -7.976 1.00 0.37 H new ATOM 0 HG23 THR A 176 7.520 0.119 -8.978 1.00 0.37 H new ATOM 66 N VAL A 177 6.567 -0.090 -5.782 1.00 0.17 N ATOM 67 CA VAL A 177 5.591 -0.797 -4.976 1.00 0.14 C ATOM 68 C VAL A 177 4.826 -1.804 -5.827 1.00 0.13 C ATOM 69 O VAL A 177 4.391 -1.479 -6.934 1.00 0.14 O ATOM 70 CB VAL A 177 4.599 0.195 -4.341 1.00 0.14 C ATOM 71 CG1 VAL A 177 3.465 -0.527 -3.643 1.00 0.14 C ATOM 72 CG2 VAL A 177 5.319 1.109 -3.371 1.00 0.19 C ATOM 0 H VAL A 177 6.159 0.555 -6.459 1.00 0.17 H new ATOM 0 HA VAL A 177 6.123 -1.327 -4.186 1.00 0.14 H new ATOM 0 HB VAL A 177 4.168 0.796 -5.141 1.00 0.14 H new ATOM 0 HG11 VAL A 177 2.783 0.203 -3.206 1.00 0.14 H new ATOM 0 HG12 VAL A 177 2.926 -1.141 -4.364 1.00 0.14 H new ATOM 0 HG13 VAL A 177 3.869 -1.163 -2.856 1.00 0.14 H new ATOM 0 HG21 VAL A 177 4.606 1.805 -2.929 1.00 0.19 H new ATOM 0 HG22 VAL A 177 5.780 0.513 -2.583 1.00 0.19 H new ATOM 0 HG23 VAL A 177 6.090 1.667 -3.901 1.00 0.19 H new ATOM 82 N PRO A 178 4.673 -3.047 -5.344 1.00 0.13 N ATOM 83 CA PRO A 178 3.872 -4.051 -6.037 1.00 0.13 C ATOM 84 C PRO A 178 2.381 -3.769 -5.888 1.00 0.12 C ATOM 85 O PRO A 178 1.716 -4.283 -4.987 1.00 0.11 O ATOM 86 CB PRO A 178 4.246 -5.352 -5.323 1.00 0.13 C ATOM 87 CG PRO A 178 4.670 -4.933 -3.959 1.00 0.13 C ATOM 88 CD PRO A 178 5.285 -3.569 -4.112 1.00 0.13 C ATOM 0 HA PRO A 178 4.063 -4.075 -7.110 1.00 0.13 H new ATOM 0 HB2 PRO A 178 3.399 -6.037 -5.280 1.00 0.13 H new ATOM 0 HB3 PRO A 178 5.050 -5.872 -5.844 1.00 0.13 H new ATOM 0 HG2 PRO A 178 3.819 -4.902 -3.279 1.00 0.13 H new ATOM 0 HG3 PRO A 178 5.387 -5.639 -3.540 1.00 0.13 H new ATOM 0 HD2 PRO A 178 5.066 -2.932 -3.255 1.00 0.13 H new ATOM 0 HD3 PRO A 178 6.370 -3.626 -4.197 1.00 0.13 H new ATOM 96 N TRP A 179 1.859 -2.985 -6.813 1.00 0.14 N ATOM 97 CA TRP A 179 0.462 -2.583 -6.782 1.00 0.14 C ATOM 98 C TRP A 179 -0.454 -3.743 -7.134 1.00 0.13 C ATOM 99 O TRP A 179 -1.598 -3.790 -6.695 1.00 0.15 O ATOM 100 CB TRP A 179 0.224 -1.407 -7.724 1.00 0.17 C ATOM 101 CG TRP A 179 0.990 -0.184 -7.324 1.00 0.15 C ATOM 102 CD1 TRP A 179 2.030 0.392 -7.992 1.00 0.16 C ATOM 103 CD2 TRP A 179 0.785 0.602 -6.147 1.00 0.14 C ATOM 104 NE1 TRP A 179 2.482 1.491 -7.302 1.00 0.15 N ATOM 105 CE2 TRP A 179 1.731 1.642 -6.168 1.00 0.15 C ATOM 106 CE3 TRP A 179 -0.111 0.528 -5.080 1.00 0.16 C ATOM 107 CZ2 TRP A 179 1.806 2.601 -5.162 1.00 0.16 C ATOM 108 CZ3 TRP A 179 -0.036 1.477 -4.082 1.00 0.18 C ATOM 109 CH2 TRP A 179 0.915 2.502 -4.128 1.00 0.18 C ATOM 0 H TRP A 179 2.386 -2.610 -7.602 1.00 0.14 H new ATOM 0 HA TRP A 179 0.226 -2.269 -5.765 1.00 0.14 H new ATOM 0 HB2 TRP A 179 0.508 -1.694 -8.736 1.00 0.17 H new ATOM 0 HB3 TRP A 179 -0.840 -1.173 -7.746 1.00 0.17 H new ATOM 0 HD1 TRP A 179 2.439 0.037 -8.926 1.00 0.16 H new ATOM 0 HE1 TRP A 179 3.252 2.096 -7.588 1.00 0.15 H new ATOM 0 HE3 TRP A 179 -0.850 -0.258 -5.036 1.00 0.16 H new ATOM 0 HZ2 TRP A 179 2.539 3.393 -5.196 1.00 0.16 H new ATOM 0 HZ3 TRP A 179 -0.723 1.428 -3.250 1.00 0.18 H new ATOM 0 HH2 TRP A 179 0.947 3.230 -3.331 1.00 0.18 H new ATOM 120 N ASP A 180 0.058 -4.684 -7.906 1.00 0.13 N ATOM 121 CA ASP A 180 -0.721 -5.852 -8.298 1.00 0.14 C ATOM 122 C ASP A 180 -0.965 -6.749 -7.093 1.00 0.12 C ATOM 123 O ASP A 180 -2.104 -7.121 -6.791 1.00 0.12 O ATOM 124 CB ASP A 180 -0.003 -6.651 -9.388 1.00 0.19 C ATOM 125 CG ASP A 180 0.246 -5.851 -10.649 1.00 1.21 C ATOM 126 OD1 ASP A 180 -0.637 -5.832 -11.530 1.00 1.81 O ATOM 127 OD2 ASP A 180 1.335 -5.250 -10.773 1.00 2.10 O ATOM 0 H ASP A 180 1.009 -4.666 -8.275 1.00 0.13 H new ATOM 0 HA ASP A 180 -1.675 -5.501 -8.692 1.00 0.14 H new ATOM 0 HB2 ASP A 180 0.950 -7.009 -8.999 1.00 0.19 H new ATOM 0 HB3 ASP A 180 -0.597 -7.531 -9.635 1.00 0.19 H new ATOM 132 N ASP A 181 0.114 -7.070 -6.392 1.00 0.11 N ATOM 133 CA ASP A 181 0.047 -7.965 -5.245 1.00 0.12 C ATOM 134 C ASP A 181 -0.663 -7.295 -4.084 1.00 0.11 C ATOM 135 O ASP A 181 -1.389 -7.947 -3.329 1.00 0.13 O ATOM 136 CB ASP A 181 1.447 -8.412 -4.820 1.00 0.16 C ATOM 137 CG ASP A 181 2.118 -9.283 -5.861 1.00 0.23 C ATOM 138 OD1 ASP A 181 1.801 -10.488 -5.930 1.00 0.82 O ATOM 139 OD2 ASP A 181 2.967 -8.767 -6.618 1.00 1.02 O ATOM 0 H ASP A 181 1.050 -6.722 -6.599 1.00 0.11 H new ATOM 0 HA ASP A 181 -0.522 -8.847 -5.540 1.00 0.12 H new ATOM 0 HB2 ASP A 181 2.064 -7.533 -4.633 1.00 0.16 H new ATOM 0 HB3 ASP A 181 1.380 -8.960 -3.880 1.00 0.16 H new ATOM 144 N ILE A 182 -0.464 -5.991 -3.947 1.00 0.11 N ATOM 145 CA ILE A 182 -1.149 -5.232 -2.920 1.00 0.14 C ATOM 146 C ILE A 182 -2.642 -5.204 -3.202 1.00 0.13 C ATOM 147 O ILE A 182 -3.445 -5.414 -2.300 1.00 0.13 O ATOM 148 CB ILE A 182 -0.599 -3.796 -2.796 1.00 0.17 C ATOM 149 CG1 ILE A 182 0.789 -3.828 -2.161 1.00 0.17 C ATOM 150 CG2 ILE A 182 -1.535 -2.917 -1.980 1.00 0.26 C ATOM 151 CD1 ILE A 182 1.404 -2.463 -1.982 1.00 0.20 C ATOM 0 H ILE A 182 0.164 -5.442 -4.534 1.00 0.11 H new ATOM 0 HA ILE A 182 -0.970 -5.730 -1.967 1.00 0.14 H new ATOM 0 HB ILE A 182 -0.527 -3.367 -3.796 1.00 0.17 H new ATOM 0 HG12 ILE A 182 0.723 -4.318 -1.189 1.00 0.17 H new ATOM 0 HG13 ILE A 182 1.449 -4.436 -2.780 1.00 0.17 H new ATOM 0 HG21 ILE A 182 -1.121 -1.911 -1.910 1.00 0.26 H new ATOM 0 HG22 ILE A 182 -2.510 -2.875 -2.465 1.00 0.26 H new ATOM 0 HG23 ILE A 182 -1.646 -3.334 -0.979 1.00 0.26 H new ATOM 0 HD11 ILE A 182 2.389 -2.565 -1.526 1.00 0.20 H new ATOM 0 HD12 ILE A 182 1.502 -1.978 -2.953 1.00 0.20 H new ATOM 0 HD13 ILE A 182 0.766 -1.858 -1.338 1.00 0.20 H new ATOM 163 N GLU A 183 -3.012 -4.975 -4.459 1.00 0.14 N ATOM 164 CA GLU A 183 -4.411 -5.007 -4.863 1.00 0.15 C ATOM 165 C GLU A 183 -5.039 -6.348 -4.515 1.00 0.14 C ATOM 166 O GLU A 183 -6.185 -6.412 -4.074 1.00 0.14 O ATOM 167 CB GLU A 183 -4.531 -4.755 -6.366 1.00 0.18 C ATOM 168 CG GLU A 183 -5.962 -4.691 -6.870 1.00 0.27 C ATOM 169 CD GLU A 183 -6.034 -4.596 -8.378 1.00 0.34 C ATOM 170 OE1 GLU A 183 -5.917 -3.478 -8.916 1.00 1.09 O ATOM 171 OE2 GLU A 183 -6.201 -5.646 -9.033 1.00 1.06 O ATOM 0 H GLU A 183 -2.360 -4.765 -5.215 1.00 0.14 H new ATOM 0 HA GLU A 183 -4.941 -4.222 -4.324 1.00 0.15 H new ATOM 0 HB2 GLU A 183 -4.029 -3.818 -6.608 1.00 0.18 H new ATOM 0 HB3 GLU A 183 -4.004 -5.546 -6.900 1.00 0.18 H new ATOM 0 HG2 GLU A 183 -6.502 -5.577 -6.537 1.00 0.27 H new ATOM 0 HG3 GLU A 183 -6.462 -3.829 -6.429 1.00 0.27 H new ATOM 178 N ALA A 184 -4.278 -7.419 -4.704 1.00 0.13 N ATOM 179 CA ALA A 184 -4.759 -8.756 -4.392 1.00 0.13 C ATOM 180 C ALA A 184 -4.953 -8.922 -2.889 1.00 0.13 C ATOM 181 O ALA A 184 -5.904 -9.563 -2.439 1.00 0.13 O ATOM 182 CB ALA A 184 -3.789 -9.799 -4.924 1.00 0.15 C ATOM 0 H ALA A 184 -3.327 -7.386 -5.071 1.00 0.13 H new ATOM 0 HA ALA A 184 -5.725 -8.899 -4.876 1.00 0.13 H new ATOM 0 HB1 ALA A 184 -4.159 -10.796 -4.685 1.00 0.15 H new ATOM 0 HB2 ALA A 184 -3.700 -9.695 -6.005 1.00 0.15 H new ATOM 0 HB3 ALA A 184 -2.811 -9.655 -4.464 1.00 0.15 H new ATOM 188 N LEU A 185 -4.065 -8.307 -2.117 1.00 0.12 N ATOM 189 CA LEU A 185 -4.141 -8.380 -0.668 1.00 0.13 C ATOM 190 C LEU A 185 -5.354 -7.617 -0.168 1.00 0.11 C ATOM 191 O LEU A 185 -6.072 -8.082 0.709 1.00 0.12 O ATOM 192 CB LEU A 185 -2.872 -7.816 -0.029 1.00 0.14 C ATOM 193 CG LEU A 185 -2.916 -7.689 1.496 1.00 0.15 C ATOM 194 CD1 LEU A 185 -3.095 -9.050 2.152 1.00 0.16 C ATOM 195 CD2 LEU A 185 -1.658 -7.012 2.005 1.00 0.18 C ATOM 0 H LEU A 185 -3.286 -7.753 -2.472 1.00 0.12 H new ATOM 0 HA LEU A 185 -4.236 -9.428 -0.384 1.00 0.13 H new ATOM 0 HB2 LEU A 185 -2.032 -8.455 -0.301 1.00 0.14 H new ATOM 0 HB3 LEU A 185 -2.675 -6.832 -0.455 1.00 0.14 H new ATOM 0 HG LEU A 185 -3.775 -7.073 1.762 1.00 0.15 H new ATOM 0 HD11 LEU A 185 -3.123 -8.931 3.235 1.00 0.16 H new ATOM 0 HD12 LEU A 185 -4.029 -9.498 1.812 1.00 0.16 H new ATOM 0 HD13 LEU A 185 -2.262 -9.698 1.880 1.00 0.16 H new ATOM 0 HD21 LEU A 185 -1.704 -6.929 3.091 1.00 0.18 H new ATOM 0 HD22 LEU A 185 -0.787 -7.603 1.723 1.00 0.18 H new ATOM 0 HD23 LEU A 185 -1.578 -6.017 1.568 1.00 0.18 H new ATOM 207 N LEU A 186 -5.584 -6.450 -0.748 1.00 0.11 N ATOM 208 CA LEU A 186 -6.717 -5.621 -0.376 1.00 0.10 C ATOM 209 C LEU A 186 -8.016 -6.234 -0.864 1.00 0.09 C ATOM 210 O LEU A 186 -9.070 -6.016 -0.282 1.00 0.08 O ATOM 211 CB LEU A 186 -6.560 -4.203 -0.928 1.00 0.10 C ATOM 212 CG LEU A 186 -5.758 -3.239 -0.045 1.00 0.11 C ATOM 213 CD1 LEU A 186 -6.397 -3.129 1.325 1.00 0.09 C ATOM 214 CD2 LEU A 186 -4.313 -3.683 0.082 1.00 0.14 C ATOM 0 H LEU A 186 -4.997 -6.055 -1.482 1.00 0.11 H new ATOM 0 HA LEU A 186 -6.748 -5.565 0.712 1.00 0.10 H new ATOM 0 HB2 LEU A 186 -6.077 -4.262 -1.904 1.00 0.10 H new ATOM 0 HB3 LEU A 186 -7.552 -3.782 -1.088 1.00 0.10 H new ATOM 0 HG LEU A 186 -5.767 -2.258 -0.521 1.00 0.11 H new ATOM 0 HD11 LEU A 186 -5.818 -2.442 1.942 1.00 0.09 H new ATOM 0 HD12 LEU A 186 -7.416 -2.755 1.222 1.00 0.09 H new ATOM 0 HD13 LEU A 186 -6.417 -4.111 1.797 1.00 0.09 H new ATOM 0 HD21 LEU A 186 -3.770 -2.980 0.714 1.00 0.14 H new ATOM 0 HD22 LEU A 186 -4.276 -4.676 0.530 1.00 0.14 H new ATOM 0 HD23 LEU A 186 -3.853 -3.713 -0.906 1.00 0.14 H new ATOM 226 N LYS A 187 -7.933 -7.007 -1.931 1.00 0.11 N ATOM 227 CA LYS A 187 -9.089 -7.722 -2.439 1.00 0.12 C ATOM 228 C LYS A 187 -9.488 -8.809 -1.454 1.00 0.13 C ATOM 229 O LYS A 187 -10.668 -9.013 -1.173 1.00 0.14 O ATOM 230 CB LYS A 187 -8.786 -8.336 -3.804 1.00 0.15 C ATOM 231 CG LYS A 187 -9.988 -9.011 -4.439 1.00 0.22 C ATOM 232 CD LYS A 187 -9.643 -9.618 -5.790 1.00 0.29 C ATOM 233 CE LYS A 187 -8.655 -10.765 -5.656 1.00 0.78 C ATOM 234 NZ LYS A 187 -8.258 -11.309 -6.980 1.00 1.61 N ATOM 0 H LYS A 187 -7.076 -7.156 -2.463 1.00 0.11 H new ATOM 0 HA LYS A 187 -9.914 -7.019 -2.556 1.00 0.12 H new ATOM 0 HB2 LYS A 187 -8.421 -7.556 -4.472 1.00 0.15 H new ATOM 0 HB3 LYS A 187 -7.983 -9.065 -3.696 1.00 0.15 H new ATOM 0 HG2 LYS A 187 -10.361 -9.790 -3.774 1.00 0.22 H new ATOM 0 HG3 LYS A 187 -10.791 -8.284 -4.561 1.00 0.22 H new ATOM 0 HD2 LYS A 187 -10.553 -9.976 -6.271 1.00 0.29 H new ATOM 0 HD3 LYS A 187 -9.222 -8.849 -6.437 1.00 0.29 H new ATOM 0 HE2 LYS A 187 -7.768 -10.421 -5.124 1.00 0.78 H new ATOM 0 HE3 LYS A 187 -9.099 -11.559 -5.055 1.00 0.78 H new ATOM 0 HZ1 LYS A 187 -7.584 -12.089 -6.847 1.00 1.61 H new ATOM 0 HZ2 LYS A 187 -9.101 -11.661 -7.478 1.00 1.61 H new ATOM 0 HZ3 LYS A 187 -7.811 -10.558 -7.544 1.00 1.61 H new ATOM 248 N ASN A 188 -8.487 -9.507 -0.939 1.00 0.16 N ATOM 249 CA ASN A 188 -8.689 -10.522 0.083 1.00 0.20 C ATOM 250 C ASN A 188 -9.087 -9.888 1.416 1.00 0.19 C ATOM 251 O ASN A 188 -9.816 -10.478 2.209 1.00 0.24 O ATOM 252 CB ASN A 188 -7.399 -11.335 0.235 1.00 0.25 C ATOM 253 CG ASN A 188 -7.425 -12.281 1.417 1.00 0.75 C ATOM 254 OD1 ASN A 188 -7.886 -13.419 1.312 1.00 0.75 O ATOM 255 ND2 ASN A 188 -6.906 -11.826 2.543 1.00 1.37 N ATOM 0 H ASN A 188 -7.513 -9.386 -1.218 1.00 0.16 H new ATOM 0 HA ASN A 188 -9.503 -11.180 -0.220 1.00 0.20 H new ATOM 0 HB2 ASN A 188 -7.229 -11.908 -0.677 1.00 0.25 H new ATOM 0 HB3 ASN A 188 -6.557 -10.651 0.344 1.00 0.25 H new ATOM 0 HD21 ASN A 188 -6.876 -12.424 3.369 1.00 1.37 H new ATOM 0 HD22 ASN A 188 -6.535 -10.877 2.587 1.00 1.37 H new ATOM 262 N ASN A 189 -8.597 -8.683 1.648 1.00 0.14 N ATOM 263 CA ASN A 189 -8.876 -7.948 2.876 1.00 0.14 C ATOM 264 C ASN A 189 -10.295 -7.395 2.865 1.00 0.13 C ATOM 265 O ASN A 189 -10.968 -7.337 3.893 1.00 0.17 O ATOM 266 CB ASN A 189 -7.870 -6.808 3.020 1.00 0.13 C ATOM 267 CG ASN A 189 -7.989 -6.073 4.337 1.00 0.18 C ATOM 268 OD1 ASN A 189 -8.727 -5.098 4.455 1.00 0.21 O ATOM 269 ND2 ASN A 189 -7.252 -6.531 5.333 1.00 0.23 N ATOM 0 H ASN A 189 -7.995 -8.184 0.993 1.00 0.14 H new ATOM 0 HA ASN A 189 -8.784 -8.627 3.723 1.00 0.14 H new ATOM 0 HB2 ASN A 189 -6.861 -7.208 2.924 1.00 0.13 H new ATOM 0 HB3 ASN A 189 -8.012 -6.101 2.202 1.00 0.13 H new ATOM 0 HD21 ASN A 189 -7.282 -6.072 6.243 1.00 0.23 H new ATOM 0 HD22 ASN A 189 -6.652 -7.344 5.192 1.00 0.23 H new ATOM 276 N PHE A 190 -10.746 -7.014 1.683 1.00 0.11 N ATOM 277 CA PHE A 190 -12.054 -6.415 1.498 1.00 0.10 C ATOM 278 C PHE A 190 -12.962 -7.337 0.701 1.00 0.11 C ATOM 279 O PHE A 190 -13.703 -6.866 -0.158 1.00 0.12 O ATOM 280 CB PHE A 190 -11.951 -5.057 0.804 1.00 0.09 C ATOM 281 CG PHE A 190 -11.468 -3.949 1.694 1.00 0.10 C ATOM 282 CD1 PHE A 190 -12.316 -3.391 2.638 1.00 1.17 C ATOM 283 CD2 PHE A 190 -10.177 -3.460 1.590 1.00 1.18 C ATOM 284 CE1 PHE A 190 -11.888 -2.368 3.459 1.00 1.18 C ATOM 285 CE2 PHE A 190 -9.742 -2.435 2.409 1.00 1.18 C ATOM 286 CZ PHE A 190 -10.598 -1.890 3.345 1.00 0.14 C ATOM 0 H PHE A 190 -10.211 -7.112 0.820 1.00 0.11 H new ATOM 0 HA PHE A 190 -12.486 -6.263 2.487 1.00 0.10 H new ATOM 0 HB2 PHE A 190 -11.275 -5.146 -0.047 1.00 0.09 H new ATOM 0 HB3 PHE A 190 -12.930 -4.789 0.407 1.00 0.09 H new ATOM 0 HD1 PHE A 190 -13.326 -3.762 2.732 1.00 1.17 H new ATOM 0 HD2 PHE A 190 -9.502 -3.884 0.861 1.00 1.18 H new ATOM 0 HE1 PHE A 190 -12.561 -1.942 4.189 1.00 1.18 H new ATOM 0 HE2 PHE A 190 -8.733 -2.061 2.317 1.00 1.18 H new ATOM 0 HZ PHE A 190 -10.259 -1.091 3.987 1.00 0.14 H new ATOM 296 N GLU A 191 -12.745 -8.648 0.874 1.00 0.14 N ATOM 297 CA GLU A 191 -13.648 -9.741 0.412 1.00 0.21 C ATOM 298 C GLU A 191 -15.164 -9.513 0.655 1.00 0.21 C ATOM 299 O GLU A 191 -15.902 -10.431 1.013 1.00 0.22 O ATOM 300 CB GLU A 191 -13.206 -11.066 1.044 1.00 0.30 C ATOM 301 CG GLU A 191 -12.843 -10.976 2.523 1.00 0.38 C ATOM 302 CD GLU A 191 -14.034 -10.752 3.427 1.00 0.84 C ATOM 303 OE1 GLU A 191 -14.698 -11.743 3.793 1.00 1.40 O ATOM 304 OE2 GLU A 191 -14.305 -9.590 3.793 1.00 1.74 O ATOM 0 H GLU A 191 -11.916 -9.000 1.352 1.00 0.14 H new ATOM 0 HA GLU A 191 -13.546 -9.760 -0.673 1.00 0.21 H new ATOM 0 HB2 GLU A 191 -14.007 -11.795 0.924 1.00 0.30 H new ATOM 0 HB3 GLU A 191 -12.344 -11.446 0.495 1.00 0.30 H new ATOM 0 HG2 GLU A 191 -12.339 -11.895 2.821 1.00 0.38 H new ATOM 0 HG3 GLU A 191 -12.132 -10.162 2.665 1.00 0.38 H new ATOM 311 N ASN A 192 -15.595 -8.295 0.438 1.00 0.31 N ATOM 312 CA ASN A 192 -16.979 -7.891 0.579 1.00 0.44 C ATOM 313 C ASN A 192 -17.214 -6.645 -0.258 1.00 0.57 C ATOM 314 O ASN A 192 -18.186 -6.550 -1.006 1.00 1.09 O ATOM 315 CB ASN A 192 -17.313 -7.616 2.047 1.00 0.47 C ATOM 316 CG ASN A 192 -18.778 -7.288 2.264 1.00 0.61 C ATOM 317 OD1 ASN A 192 -19.602 -8.184 2.447 1.00 0.69 O ATOM 318 ND2 ASN A 192 -19.114 -6.008 2.262 1.00 1.16 N ATOM 0 H ASN A 192 -14.979 -7.534 0.151 1.00 0.31 H new ATOM 0 HA ASN A 192 -17.628 -8.695 0.232 1.00 0.44 H new ATOM 0 HB2 ASN A 192 -17.048 -8.488 2.645 1.00 0.47 H new ATOM 0 HB3 ASN A 192 -16.703 -6.787 2.405 1.00 0.47 H new ATOM 0 HD21 ASN A 192 -20.085 -5.735 2.416 1.00 1.16 H new ATOM 0 HD22 ASN A 192 -18.402 -5.294 2.107 1.00 1.16 H new ATOM 325 N ASP A 193 -16.296 -5.695 -0.137 1.00 0.20 N ATOM 326 CA ASP A 193 -16.383 -4.447 -0.876 1.00 0.24 C ATOM 327 C ASP A 193 -15.219 -4.297 -1.843 1.00 0.19 C ATOM 328 O ASP A 193 -14.148 -3.797 -1.483 1.00 0.16 O ATOM 329 CB ASP A 193 -16.406 -3.261 0.085 1.00 0.33 C ATOM 330 CG ASP A 193 -17.631 -3.251 0.968 1.00 0.84 C ATOM 331 OD1 ASP A 193 -18.677 -2.718 0.544 1.00 1.78 O ATOM 332 OD2 ASP A 193 -17.555 -3.781 2.094 1.00 1.27 O ATOM 0 H ASP A 193 -15.479 -5.768 0.470 1.00 0.20 H new ATOM 0 HA ASP A 193 -17.309 -4.466 -1.450 1.00 0.24 H new ATOM 0 HB2 ASP A 193 -15.513 -3.287 0.710 1.00 0.33 H new ATOM 0 HB3 ASP A 193 -16.368 -2.334 -0.487 1.00 0.33 H new ATOM 337 N GLN A 194 -15.433 -4.718 -3.079 1.00 0.21 N ATOM 338 CA GLN A 194 -14.440 -4.538 -4.127 1.00 0.21 C ATOM 339 C GLN A 194 -14.275 -3.050 -4.399 1.00 0.21 C ATOM 340 O GLN A 194 -13.197 -2.579 -4.754 1.00 0.24 O ATOM 341 CB GLN A 194 -14.864 -5.265 -5.403 1.00 0.26 C ATOM 342 CG GLN A 194 -15.127 -6.751 -5.208 1.00 0.26 C ATOM 343 CD GLN A 194 -13.919 -7.502 -4.679 1.00 0.25 C ATOM 344 OE1 GLN A 194 -13.082 -7.974 -5.446 1.00 0.44 O ATOM 345 NE2 GLN A 194 -13.827 -7.635 -3.364 1.00 0.35 N ATOM 0 H GLN A 194 -16.286 -5.187 -3.382 1.00 0.21 H new ATOM 0 HA GLN A 194 -13.490 -4.960 -3.800 1.00 0.21 H new ATOM 0 HB2 GLN A 194 -15.766 -4.795 -5.795 1.00 0.26 H new ATOM 0 HB3 GLN A 194 -14.086 -5.140 -6.156 1.00 0.26 H new ATOM 0 HG2 GLN A 194 -15.959 -6.879 -4.516 1.00 0.26 H new ATOM 0 HG3 GLN A 194 -15.432 -7.188 -6.159 1.00 0.26 H new ATOM 0 HE21 GLN A 194 -14.541 -7.229 -2.759 1.00 0.35 H new ATOM 0 HE22 GLN A 194 -13.042 -8.143 -2.956 1.00 0.35 H new ATOM 354 N ALA A 195 -15.374 -2.328 -4.221 1.00 0.25 N ATOM 355 CA ALA A 195 -15.372 -0.873 -4.276 1.00 0.25 C ATOM 356 C ALA A 195 -14.367 -0.294 -3.288 1.00 0.20 C ATOM 357 O ALA A 195 -13.710 0.708 -3.566 1.00 0.19 O ATOM 358 CB ALA A 195 -16.760 -0.333 -3.985 1.00 0.32 C ATOM 0 H ALA A 195 -16.291 -2.735 -4.035 1.00 0.25 H new ATOM 0 HA ALA A 195 -15.078 -0.571 -5.281 1.00 0.25 H new ATOM 0 HB1 ALA A 195 -16.743 0.756 -4.030 1.00 0.32 H new ATOM 0 HB2 ALA A 195 -17.462 -0.716 -4.726 1.00 0.32 H new ATOM 0 HB3 ALA A 195 -17.073 -0.651 -2.990 1.00 0.32 H new ATOM 364 N ALA A 196 -14.224 -0.954 -2.148 1.00 0.17 N ATOM 365 CA ALA A 196 -13.302 -0.498 -1.124 1.00 0.15 C ATOM 366 C ALA A 196 -11.886 -0.827 -1.542 1.00 0.10 C ATOM 367 O ALA A 196 -10.972 -0.044 -1.316 1.00 0.08 O ATOM 368 CB ALA A 196 -13.624 -1.126 0.220 1.00 0.18 C ATOM 0 H ALA A 196 -14.734 -1.805 -1.911 1.00 0.17 H new ATOM 0 HA ALA A 196 -13.403 0.582 -1.014 1.00 0.15 H new ATOM 0 HB1 ALA A 196 -12.917 -0.767 0.968 1.00 0.18 H new ATOM 0 HB2 ALA A 196 -14.637 -0.852 0.516 1.00 0.18 H new ATOM 0 HB3 ALA A 196 -13.549 -2.211 0.142 1.00 0.18 H new ATOM 374 N VAL A 197 -11.717 -1.988 -2.169 1.00 0.11 N ATOM 375 CA VAL A 197 -10.431 -2.371 -2.745 1.00 0.10 C ATOM 376 C VAL A 197 -9.951 -1.292 -3.710 1.00 0.11 C ATOM 377 O VAL A 197 -8.792 -0.877 -3.682 1.00 0.11 O ATOM 378 CB VAL A 197 -10.523 -3.709 -3.507 1.00 0.12 C ATOM 379 CG1 VAL A 197 -9.160 -4.121 -4.045 1.00 0.14 C ATOM 380 CG2 VAL A 197 -11.098 -4.798 -2.620 1.00 0.11 C ATOM 0 H VAL A 197 -12.456 -2.681 -2.291 1.00 0.11 H new ATOM 0 HA VAL A 197 -9.727 -2.486 -1.921 1.00 0.10 H new ATOM 0 HB VAL A 197 -11.195 -3.568 -4.353 1.00 0.12 H new ATOM 0 HG11 VAL A 197 -9.250 -5.067 -4.578 1.00 0.14 H new ATOM 0 HG12 VAL A 197 -8.791 -3.354 -4.726 1.00 0.14 H new ATOM 0 HG13 VAL A 197 -8.462 -4.237 -3.216 1.00 0.14 H new ATOM 0 HG21 VAL A 197 -11.153 -5.732 -3.180 1.00 0.11 H new ATOM 0 HG22 VAL A 197 -10.457 -4.934 -1.749 1.00 0.11 H new ATOM 0 HG23 VAL A 197 -12.098 -4.511 -2.293 1.00 0.11 H new ATOM 390 N ARG A 198 -10.868 -0.825 -4.545 1.00 0.12 N ATOM 391 CA ARG A 198 -10.563 0.215 -5.514 1.00 0.14 C ATOM 392 C ARG A 198 -10.136 1.491 -4.806 1.00 0.13 C ATOM 393 O ARG A 198 -9.079 2.052 -5.098 1.00 0.14 O ATOM 394 CB ARG A 198 -11.782 0.504 -6.389 1.00 0.19 C ATOM 395 CG ARG A 198 -12.229 -0.675 -7.230 1.00 0.24 C ATOM 396 CD ARG A 198 -13.415 -0.306 -8.101 1.00 0.35 C ATOM 397 NE ARG A 198 -13.110 0.804 -9.004 1.00 1.12 N ATOM 398 CZ ARG A 198 -14.020 1.429 -9.751 1.00 1.48 C ATOM 399 NH1 ARG A 198 -15.289 1.044 -9.718 1.00 1.02 N ATOM 400 NH2 ARG A 198 -13.660 2.436 -10.537 1.00 2.36 N ATOM 0 H ARG A 198 -11.834 -1.152 -4.570 1.00 0.12 H new ATOM 0 HA ARG A 198 -9.746 -0.137 -6.143 1.00 0.14 H new ATOM 0 HB2 ARG A 198 -12.609 0.817 -5.751 1.00 0.19 H new ATOM 0 HB3 ARG A 198 -11.553 1.342 -7.048 1.00 0.19 H new ATOM 0 HG2 ARG A 198 -11.404 -1.012 -7.858 1.00 0.24 H new ATOM 0 HG3 ARG A 198 -12.496 -1.509 -6.580 1.00 0.24 H new ATOM 0 HD2 ARG A 198 -13.720 -1.175 -8.685 1.00 0.35 H new ATOM 0 HD3 ARG A 198 -14.260 -0.036 -7.467 1.00 0.35 H new ATOM 0 HE ARG A 198 -12.142 1.119 -9.066 1.00 1.12 H new ATOM 0 HH11 ARG A 198 -15.571 0.268 -9.120 1.00 1.02 H new ATOM 0 HH12 ARG A 198 -15.983 1.524 -10.291 1.00 1.02 H new ATOM 0 HH21 ARG A 198 -12.685 2.733 -10.571 1.00 2.36 H new ATOM 0 HH22 ARG A 198 -14.358 2.912 -11.108 1.00 2.36 H new ATOM 414 N GLN A 199 -10.958 1.928 -3.861 1.00 0.13 N ATOM 415 CA GLN A 199 -10.720 3.174 -3.145 1.00 0.13 C ATOM 416 C GLN A 199 -9.392 3.163 -2.397 1.00 0.12 C ATOM 417 O GLN A 199 -8.657 4.156 -2.402 1.00 0.12 O ATOM 418 CB GLN A 199 -11.860 3.437 -2.166 1.00 0.14 C ATOM 419 CG GLN A 199 -13.213 3.623 -2.828 1.00 0.17 C ATOM 420 CD GLN A 199 -14.321 3.862 -1.823 1.00 0.23 C ATOM 421 OE1 GLN A 199 -14.620 5.000 -1.462 1.00 0.29 O ATOM 422 NE2 GLN A 199 -14.940 2.788 -1.363 1.00 0.25 N ATOM 0 H GLN A 199 -11.802 1.433 -3.571 1.00 0.13 H new ATOM 0 HA GLN A 199 -10.674 3.972 -3.886 1.00 0.13 H new ATOM 0 HB2 GLN A 199 -11.922 2.605 -1.465 1.00 0.14 H new ATOM 0 HB3 GLN A 199 -11.627 4.328 -1.584 1.00 0.14 H new ATOM 0 HG2 GLN A 199 -13.164 4.466 -3.518 1.00 0.17 H new ATOM 0 HG3 GLN A 199 -13.449 2.739 -3.421 1.00 0.17 H new ATOM 0 HE21 GLN A 199 -14.663 1.861 -1.687 1.00 0.25 H new ATOM 0 HE22 GLN A 199 -15.695 2.886 -0.684 1.00 0.25 H new ATOM 431 N VAL A 200 -9.063 2.036 -1.782 1.00 0.12 N ATOM 432 CA VAL A 200 -7.858 1.960 -0.974 1.00 0.12 C ATOM 433 C VAL A 200 -6.629 1.912 -1.866 1.00 0.12 C ATOM 434 O VAL A 200 -5.607 2.515 -1.551 1.00 0.12 O ATOM 435 CB VAL A 200 -7.852 0.755 -0.004 1.00 0.14 C ATOM 436 CG1 VAL A 200 -9.024 0.836 0.956 1.00 0.16 C ATOM 437 CG2 VAL A 200 -7.876 -0.564 -0.755 1.00 0.14 C ATOM 0 H VAL A 200 -9.606 1.174 -1.826 1.00 0.12 H new ATOM 0 HA VAL A 200 -7.838 2.861 -0.361 1.00 0.12 H new ATOM 0 HB VAL A 200 -6.925 0.798 0.568 1.00 0.14 H new ATOM 0 HG11 VAL A 200 -9.002 -0.020 1.630 1.00 0.16 H new ATOM 0 HG12 VAL A 200 -8.956 1.756 1.536 1.00 0.16 H new ATOM 0 HG13 VAL A 200 -9.957 0.830 0.392 1.00 0.16 H new ATOM 0 HG21 VAL A 200 -7.871 -1.389 -0.042 1.00 0.14 H new ATOM 0 HG22 VAL A 200 -8.777 -0.618 -1.366 1.00 0.14 H new ATOM 0 HG23 VAL A 200 -6.997 -0.634 -1.396 1.00 0.14 H new ATOM 447 N MET A 201 -6.742 1.225 -2.998 1.00 0.13 N ATOM 448 CA MET A 201 -5.632 1.120 -3.933 1.00 0.15 C ATOM 449 C MET A 201 -5.345 2.460 -4.588 1.00 0.12 C ATOM 450 O MET A 201 -4.188 2.844 -4.751 1.00 0.13 O ATOM 451 CB MET A 201 -5.916 0.067 -5.006 1.00 0.20 C ATOM 452 CG MET A 201 -5.856 -1.359 -4.488 1.00 1.01 C ATOM 453 SD MET A 201 -4.278 -1.750 -3.709 1.00 1.58 S ATOM 454 CE MET A 201 -3.140 -1.441 -5.058 1.00 1.20 C ATOM 0 H MET A 201 -7.588 0.735 -3.288 1.00 0.13 H new ATOM 0 HA MET A 201 -4.753 0.812 -3.366 1.00 0.15 H new ATOM 0 HB2 MET A 201 -6.903 0.250 -5.430 1.00 0.20 H new ATOM 0 HB3 MET A 201 -5.195 0.181 -5.816 1.00 0.20 H new ATOM 0 HG2 MET A 201 -6.660 -1.514 -3.769 1.00 1.01 H new ATOM 0 HG3 MET A 201 -6.030 -2.049 -5.314 1.00 1.01 H new ATOM 0 HE1 MET A 201 -2.241 -2.042 -4.921 1.00 1.20 H new ATOM 0 HE2 MET A 201 -3.614 -1.708 -6.002 1.00 1.20 H new ATOM 0 HE3 MET A 201 -2.871 -0.385 -5.072 1.00 1.20 H new ATOM 464 N GLU A 202 -6.397 3.191 -4.929 1.00 0.11 N ATOM 465 CA GLU A 202 -6.238 4.467 -5.610 1.00 0.11 C ATOM 466 C GLU A 202 -5.745 5.531 -4.642 1.00 0.10 C ATOM 467 O GLU A 202 -5.058 6.473 -5.041 1.00 0.10 O ATOM 468 CB GLU A 202 -7.548 4.910 -6.260 1.00 0.12 C ATOM 469 CG GLU A 202 -7.962 4.039 -7.432 1.00 0.14 C ATOM 470 CD GLU A 202 -9.188 4.567 -8.146 1.00 0.19 C ATOM 471 OE1 GLU A 202 -9.063 5.547 -8.910 1.00 0.99 O ATOM 472 OE2 GLU A 202 -10.284 4.005 -7.948 1.00 1.07 O ATOM 0 H GLU A 202 -7.364 2.924 -4.746 1.00 0.11 H new ATOM 0 HA GLU A 202 -5.494 4.337 -6.396 1.00 0.11 H new ATOM 0 HB2 GLU A 202 -8.339 4.898 -5.511 1.00 0.12 H new ATOM 0 HB3 GLU A 202 -7.446 5.940 -6.600 1.00 0.12 H new ATOM 0 HG2 GLU A 202 -7.135 3.971 -8.139 1.00 0.14 H new ATOM 0 HG3 GLU A 202 -8.161 3.028 -7.076 1.00 0.14 H new ATOM 479 N ARG A 203 -6.065 5.362 -3.366 1.00 0.09 N ATOM 480 CA ARG A 203 -5.624 6.305 -2.352 1.00 0.08 C ATOM 481 C ARG A 203 -4.171 6.028 -1.979 1.00 0.08 C ATOM 482 O ARG A 203 -3.401 6.950 -1.733 1.00 0.08 O ATOM 483 CB ARG A 203 -6.522 6.235 -1.118 1.00 0.10 C ATOM 484 CG ARG A 203 -6.096 7.178 -0.006 1.00 0.21 C ATOM 485 CD ARG A 203 -7.084 7.158 1.145 1.00 0.14 C ATOM 486 NE ARG A 203 -6.572 7.857 2.323 1.00 0.48 N ATOM 487 CZ ARG A 203 -7.246 7.987 3.461 1.00 0.40 C ATOM 488 NH1 ARG A 203 -8.497 7.549 3.555 1.00 0.60 N ATOM 489 NH2 ARG A 203 -6.668 8.563 4.503 1.00 0.79 N ATOM 0 H ARG A 203 -6.624 4.586 -3.012 1.00 0.09 H new ATOM 0 HA ARG A 203 -5.694 7.313 -2.760 1.00 0.08 H new ATOM 0 HB2 ARG A 203 -7.546 6.469 -1.410 1.00 0.10 H new ATOM 0 HB3 ARG A 203 -6.524 5.214 -0.737 1.00 0.10 H new ATOM 0 HG2 ARG A 203 -5.108 6.894 0.356 1.00 0.21 H new ATOM 0 HG3 ARG A 203 -6.012 8.192 -0.398 1.00 0.21 H new ATOM 0 HD2 ARG A 203 -8.019 7.620 0.828 1.00 0.14 H new ATOM 0 HD3 ARG A 203 -7.312 6.125 1.408 1.00 0.14 H new ATOM 0 HE ARG A 203 -5.641 8.270 2.268 1.00 0.48 H new ATOM 0 HH11 ARG A 203 -8.945 7.110 2.751 1.00 0.60 H new ATOM 0 HH12 ARG A 203 -9.009 7.652 4.431 1.00 0.60 H new ATOM 0 HH21 ARG A 203 -5.710 8.905 4.430 1.00 0.79 H new ATOM 0 HH22 ARG A 203 -7.181 8.665 5.379 1.00 0.79 H new ATOM 503 N LEU A 204 -3.808 4.752 -1.928 1.00 0.08 N ATOM 504 CA LEU A 204 -2.417 4.358 -1.727 1.00 0.08 C ATOM 505 C LEU A 204 -1.538 4.845 -2.876 1.00 0.08 C ATOM 506 O LEU A 204 -0.421 5.301 -2.656 1.00 0.08 O ATOM 507 CB LEU A 204 -2.297 2.838 -1.596 1.00 0.08 C ATOM 508 CG LEU A 204 -2.782 2.248 -0.270 1.00 0.08 C ATOM 509 CD1 LEU A 204 -2.861 0.733 -0.361 1.00 0.09 C ATOM 510 CD2 LEU A 204 -1.854 2.657 0.863 1.00 0.09 C ATOM 0 H LEU A 204 -4.457 3.971 -2.023 1.00 0.08 H new ATOM 0 HA LEU A 204 -2.074 4.822 -0.802 1.00 0.08 H new ATOM 0 HB2 LEU A 204 -2.861 2.376 -2.406 1.00 0.08 H new ATOM 0 HB3 LEU A 204 -1.252 2.561 -1.736 1.00 0.08 H new ATOM 0 HG LEU A 204 -3.779 2.638 -0.064 1.00 0.08 H new ATOM 0 HD11 LEU A 204 -3.207 0.329 0.590 1.00 0.09 H new ATOM 0 HD12 LEU A 204 -3.558 0.452 -1.150 1.00 0.09 H new ATOM 0 HD13 LEU A 204 -1.874 0.330 -0.588 1.00 0.09 H new ATOM 0 HD21 LEU A 204 -2.213 2.229 1.799 1.00 0.09 H new ATOM 0 HD22 LEU A 204 -0.848 2.291 0.659 1.00 0.09 H new ATOM 0 HD23 LEU A 204 -1.836 3.744 0.944 1.00 0.09 H new ATOM 522 N GLN A 205 -2.053 4.752 -4.096 1.00 0.10 N ATOM 523 CA GLN A 205 -1.307 5.186 -5.275 1.00 0.12 C ATOM 524 C GLN A 205 -1.160 6.703 -5.302 1.00 0.11 C ATOM 525 O GLN A 205 -0.068 7.231 -5.534 1.00 0.13 O ATOM 526 CB GLN A 205 -1.984 4.705 -6.554 1.00 0.17 C ATOM 527 CG GLN A 205 -1.896 3.205 -6.755 1.00 0.65 C ATOM 528 CD GLN A 205 -2.615 2.742 -8.001 1.00 0.76 C ATOM 529 OE1 GLN A 205 -2.726 3.482 -8.977 1.00 1.30 O ATOM 530 NE2 GLN A 205 -3.105 1.516 -7.977 1.00 0.81 N ATOM 0 H GLN A 205 -2.982 4.381 -4.297 1.00 0.10 H new ATOM 0 HA GLN A 205 -0.313 4.743 -5.218 1.00 0.12 H new ATOM 0 HB2 GLN A 205 -3.033 5.000 -6.534 1.00 0.17 H new ATOM 0 HB3 GLN A 205 -1.528 5.206 -7.408 1.00 0.17 H new ATOM 0 HG2 GLN A 205 -0.848 2.911 -6.814 1.00 0.65 H new ATOM 0 HG3 GLN A 205 -2.320 2.700 -5.887 1.00 0.65 H new ATOM 0 HE21 GLN A 205 -2.989 0.937 -7.145 1.00 0.81 H new ATOM 0 HE22 GLN A 205 -3.599 1.148 -8.790 1.00 0.81 H new ATOM 539 N LYS A 206 -2.263 7.401 -5.058 1.00 0.10 N ATOM 540 CA LYS A 206 -2.249 8.852 -5.017 1.00 0.11 C ATOM 541 C LYS A 206 -1.328 9.327 -3.908 1.00 0.09 C ATOM 542 O LYS A 206 -0.473 10.182 -4.118 1.00 0.09 O ATOM 543 CB LYS A 206 -3.663 9.390 -4.800 1.00 0.14 C ATOM 544 CG LYS A 206 -3.731 10.903 -4.703 1.00 0.20 C ATOM 545 CD LYS A 206 -5.163 11.385 -4.561 1.00 0.32 C ATOM 546 CE LYS A 206 -5.233 12.898 -4.464 1.00 0.92 C ATOM 547 NZ LYS A 206 -6.634 13.389 -4.419 1.00 1.53 N ATOM 0 H LYS A 206 -3.177 6.982 -4.886 1.00 0.10 H new ATOM 0 HA LYS A 206 -1.879 9.230 -5.970 1.00 0.11 H new ATOM 0 HB2 LYS A 206 -4.299 9.058 -5.621 1.00 0.14 H new ATOM 0 HB3 LYS A 206 -4.071 8.957 -3.886 1.00 0.14 H new ATOM 0 HG2 LYS A 206 -3.145 11.241 -3.848 1.00 0.20 H new ATOM 0 HG3 LYS A 206 -3.283 11.347 -5.592 1.00 0.20 H new ATOM 0 HD2 LYS A 206 -5.748 11.047 -5.416 1.00 0.32 H new ATOM 0 HD3 LYS A 206 -5.611 10.941 -3.672 1.00 0.32 H new ATOM 0 HE2 LYS A 206 -4.704 13.229 -3.570 1.00 0.92 H new ATOM 0 HE3 LYS A 206 -4.721 13.340 -5.319 1.00 0.92 H new ATOM 0 HZ1 LYS A 206 -6.636 14.427 -4.353 1.00 1.53 H new ATOM 0 HZ2 LYS A 206 -7.132 13.096 -5.283 1.00 1.53 H new ATOM 0 HZ3 LYS A 206 -7.116 12.988 -3.589 1.00 1.53 H new ATOM 561 N GLY A 207 -1.509 8.753 -2.730 1.00 0.10 N ATOM 562 CA GLY A 207 -0.665 9.067 -1.604 1.00 0.10 C ATOM 563 C GLY A 207 0.797 8.799 -1.872 1.00 0.09 C ATOM 564 O GLY A 207 1.649 9.576 -1.470 1.00 0.10 O ATOM 0 H GLY A 207 -2.237 8.066 -2.535 1.00 0.10 H new ATOM 0 HA2 GLY A 207 -0.794 10.117 -1.341 1.00 0.10 H new ATOM 0 HA3 GLY A 207 -0.985 8.481 -0.742 1.00 0.10 H new ATOM 568 N TRP A 208 1.090 7.696 -2.544 1.00 0.08 N ATOM 569 CA TRP A 208 2.458 7.378 -2.935 1.00 0.08 C ATOM 570 C TRP A 208 3.019 8.489 -3.817 1.00 0.09 C ATOM 571 O TRP A 208 4.193 8.857 -3.713 1.00 0.12 O ATOM 572 CB TRP A 208 2.494 6.039 -3.677 1.00 0.09 C ATOM 573 CG TRP A 208 3.869 5.608 -4.084 1.00 0.09 C ATOM 574 CD1 TRP A 208 4.445 5.754 -5.313 1.00 0.10 C ATOM 575 CD2 TRP A 208 4.841 4.960 -3.260 1.00 0.10 C ATOM 576 NE1 TRP A 208 5.715 5.239 -5.300 1.00 0.12 N ATOM 577 CE2 TRP A 208 5.983 4.746 -4.053 1.00 0.12 C ATOM 578 CE3 TRP A 208 4.859 4.541 -1.927 1.00 0.12 C ATOM 579 CZ2 TRP A 208 7.129 4.133 -3.557 1.00 0.15 C ATOM 580 CZ3 TRP A 208 5.997 3.932 -1.436 1.00 0.14 C ATOM 581 CH2 TRP A 208 7.118 3.734 -2.249 1.00 0.16 C ATOM 0 H TRP A 208 0.398 7.004 -2.831 1.00 0.08 H new ATOM 0 HA TRP A 208 3.074 7.297 -2.040 1.00 0.08 H new ATOM 0 HB2 TRP A 208 2.056 5.270 -3.040 1.00 0.09 H new ATOM 0 HB3 TRP A 208 1.868 6.111 -4.566 1.00 0.09 H new ATOM 0 HD1 TRP A 208 3.970 6.209 -6.170 1.00 0.10 H new ATOM 0 HE1 TRP A 208 6.357 5.226 -6.093 1.00 0.12 H new ATOM 0 HE3 TRP A 208 3.998 4.691 -1.292 1.00 0.12 H new ATOM 0 HZ2 TRP A 208 7.996 3.978 -4.182 1.00 0.15 H new ATOM 0 HZ3 TRP A 208 6.022 3.603 -0.408 1.00 0.14 H new ATOM 0 HH2 TRP A 208 7.993 3.256 -1.835 1.00 0.16 H new ATOM 592 N SER A 209 2.163 9.029 -4.669 1.00 0.10 N ATOM 593 CA SER A 209 2.540 10.110 -5.564 1.00 0.12 C ATOM 594 C SER A 209 2.673 11.434 -4.806 1.00 0.13 C ATOM 595 O SER A 209 3.422 12.321 -5.211 1.00 0.17 O ATOM 596 CB SER A 209 1.498 10.236 -6.676 1.00 0.15 C ATOM 597 OG SER A 209 1.282 8.984 -7.314 1.00 1.18 O ATOM 0 H SER A 209 1.191 8.732 -4.759 1.00 0.10 H new ATOM 0 HA SER A 209 3.512 9.879 -6.000 1.00 0.12 H new ATOM 0 HB2 SER A 209 0.560 10.603 -6.260 1.00 0.15 H new ATOM 0 HB3 SER A 209 1.831 10.970 -7.410 1.00 0.15 H new ATOM 0 HG SER A 209 0.789 8.390 -6.710 1.00 1.18 H new ATOM 603 N LEU A 210 1.961 11.550 -3.693 1.00 0.11 N ATOM 604 CA LEU A 210 1.970 12.774 -2.897 1.00 0.11 C ATOM 605 C LEU A 210 3.147 12.789 -1.932 1.00 0.12 C ATOM 606 O LEU A 210 3.739 13.833 -1.670 1.00 0.13 O ATOM 607 CB LEU A 210 0.667 12.910 -2.105 1.00 0.11 C ATOM 608 CG LEU A 210 -0.609 13.016 -2.942 1.00 0.12 C ATOM 609 CD1 LEU A 210 -1.829 13.087 -2.037 1.00 0.12 C ATOM 610 CD2 LEU A 210 -0.548 14.229 -3.856 1.00 0.16 C ATOM 0 H LEU A 210 1.368 10.810 -3.318 1.00 0.11 H new ATOM 0 HA LEU A 210 2.065 13.614 -3.585 1.00 0.11 H new ATOM 0 HB2 LEU A 210 0.575 12.050 -1.442 1.00 0.11 H new ATOM 0 HB3 LEU A 210 0.739 13.794 -1.472 1.00 0.11 H new ATOM 0 HG LEU A 210 -0.692 12.125 -3.564 1.00 0.12 H new ATOM 0 HD11 LEU A 210 -2.730 13.162 -2.646 1.00 0.12 H new ATOM 0 HD12 LEU A 210 -1.880 12.187 -1.423 1.00 0.12 H new ATOM 0 HD13 LEU A 210 -1.753 13.962 -1.392 1.00 0.12 H new ATOM 0 HD21 LEU A 210 -1.464 14.288 -4.444 1.00 0.16 H new ATOM 0 HD22 LEU A 210 -0.443 15.132 -3.255 1.00 0.16 H new ATOM 0 HD23 LEU A 210 0.307 14.137 -4.526 1.00 0.16 H new ATOM 622 N ALA A 211 3.490 11.620 -1.416 1.00 0.12 N ATOM 623 CA ALA A 211 4.523 11.492 -0.402 1.00 0.14 C ATOM 624 C ALA A 211 5.916 11.412 -1.014 1.00 0.24 C ATOM 625 O ALA A 211 6.781 10.699 -0.508 1.00 0.39 O ATOM 626 CB ALA A 211 4.255 10.267 0.460 1.00 0.20 C ATOM 0 H ALA A 211 3.061 10.735 -1.688 1.00 0.12 H new ATOM 0 HA ALA A 211 4.491 12.388 0.218 1.00 0.14 H new ATOM 0 HB1 ALA A 211 5.034 10.178 1.218 1.00 0.20 H new ATOM 0 HB2 ALA A 211 3.285 10.370 0.947 1.00 0.20 H new ATOM 0 HB3 ALA A 211 4.254 9.375 -0.166 1.00 0.20 H new ATOM 707 N THR B 176 -9.683 1.256 5.988 1.00 0.22 N ATOM 708 CA THR B 176 -8.545 0.770 6.750 1.00 0.23 C ATOM 709 C THR B 176 -7.642 -0.097 5.880 1.00 0.19 C ATOM 710 O THR B 176 -8.117 -0.934 5.111 1.00 0.20 O ATOM 711 CB THR B 176 -9.002 -0.037 7.978 1.00 0.29 C ATOM 712 OG1 THR B 176 -9.914 0.748 8.757 1.00 0.33 O ATOM 713 CG2 THR B 176 -7.815 -0.443 8.838 1.00 0.36 C ATOM 0 HA THR B 176 -7.985 1.641 7.091 1.00 0.23 H new ATOM 0 HB THR B 176 -9.498 -0.942 7.628 1.00 0.29 H new ATOM 0 HG1 THR B 176 -10.314 1.441 8.192 1.00 0.33 H new ATOM 0 HG21 THR B 176 -8.167 -1.012 9.699 1.00 0.36 H new ATOM 0 HG22 THR B 176 -7.133 -1.058 8.250 1.00 0.36 H new ATOM 0 HG23 THR B 176 -7.293 0.450 9.182 1.00 0.36 H new ATOM 721 N VAL B 177 -6.345 0.111 6.012 1.00 0.16 N ATOM 722 CA VAL B 177 -5.361 -0.622 5.240 1.00 0.14 C ATOM 723 C VAL B 177 -4.590 -1.586 6.137 1.00 0.13 C ATOM 724 O VAL B 177 -4.167 -1.213 7.233 1.00 0.13 O ATOM 725 CB VAL B 177 -4.377 0.351 4.562 1.00 0.14 C ATOM 726 CG1 VAL B 177 -3.235 -0.391 3.898 1.00 0.14 C ATOM 727 CG2 VAL B 177 -5.105 1.213 3.549 1.00 0.18 C ATOM 0 H VAL B 177 -5.945 0.792 6.657 1.00 0.16 H new ATOM 0 HA VAL B 177 -5.885 -1.192 4.473 1.00 0.14 H new ATOM 0 HB VAL B 177 -3.954 0.992 5.335 1.00 0.14 H new ATOM 0 HG11 VAL B 177 -2.560 0.325 3.429 1.00 0.14 H new ATOM 0 HG12 VAL B 177 -2.691 -0.967 4.647 1.00 0.14 H new ATOM 0 HG13 VAL B 177 -3.632 -1.066 3.139 1.00 0.14 H new ATOM 0 HG21 VAL B 177 -4.398 1.896 3.077 1.00 0.18 H new ATOM 0 HG22 VAL B 177 -5.558 0.577 2.788 1.00 0.18 H new ATOM 0 HG23 VAL B 177 -5.883 1.787 4.052 1.00 0.18 H new ATOM 737 N PRO B 178 -4.423 -2.846 5.708 1.00 0.12 N ATOM 738 CA PRO B 178 -3.611 -3.809 6.444 1.00 0.13 C ATOM 739 C PRO B 178 -2.121 -3.519 6.278 1.00 0.12 C ATOM 740 O PRO B 178 -1.452 -4.071 5.405 1.00 0.11 O ATOM 741 CB PRO B 178 -3.975 -5.145 5.793 1.00 0.13 C ATOM 742 CG PRO B 178 -4.400 -4.791 4.407 1.00 0.13 C ATOM 743 CD PRO B 178 -5.026 -3.426 4.497 1.00 0.13 C ATOM 0 HA PRO B 178 -3.798 -3.785 7.518 1.00 0.13 H new ATOM 0 HB2 PRO B 178 -3.124 -5.825 5.784 1.00 0.13 H new ATOM 0 HB3 PRO B 178 -4.777 -5.645 6.337 1.00 0.13 H new ATOM 0 HG2 PRO B 178 -3.547 -4.784 3.728 1.00 0.13 H new ATOM 0 HG3 PRO B 178 -5.111 -5.521 4.019 1.00 0.13 H new ATOM 0 HD2 PRO B 178 -4.807 -2.826 3.614 1.00 0.13 H new ATOM 0 HD3 PRO B 178 -6.111 -3.488 4.580 1.00 0.13 H new ATOM 751 N TRP B 179 -1.606 -2.689 7.163 1.00 0.13 N ATOM 752 CA TRP B 179 -0.214 -2.277 7.118 1.00 0.14 C ATOM 753 C TRP B 179 0.710 -3.411 7.523 1.00 0.13 C ATOM 754 O TRP B 179 1.853 -3.472 7.085 1.00 0.15 O ATOM 755 CB TRP B 179 0.009 -1.058 8.009 1.00 0.17 C ATOM 756 CG TRP B 179 -0.769 0.138 7.559 1.00 0.15 C ATOM 757 CD1 TRP B 179 -1.813 0.731 8.201 1.00 0.16 C ATOM 758 CD2 TRP B 179 -0.570 0.872 6.350 1.00 0.14 C ATOM 759 NE1 TRP B 179 -2.271 1.797 7.468 1.00 0.15 N ATOM 760 CE2 TRP B 179 -1.523 1.905 6.327 1.00 0.14 C ATOM 761 CE3 TRP B 179 0.327 0.760 5.287 1.00 0.16 C ATOM 762 CZ2 TRP B 179 -1.606 2.818 5.281 1.00 0.16 C ATOM 763 CZ3 TRP B 179 0.245 1.663 4.250 1.00 0.18 C ATOM 764 CH2 TRP B 179 -0.715 2.683 4.252 1.00 0.18 C ATOM 0 H TRP B 179 -2.137 -2.281 7.932 1.00 0.13 H new ATOM 0 HA TRP B 179 0.024 -2.006 6.089 1.00 0.14 H new ATOM 0 HB2 TRP B 179 -0.273 -1.305 9.033 1.00 0.17 H new ATOM 0 HB3 TRP B 179 1.071 -0.812 8.021 1.00 0.17 H new ATOM 0 HD1 TRP B 179 -2.221 0.410 9.148 1.00 0.16 H new ATOM 0 HE1 TRP B 179 -3.043 2.409 7.731 1.00 0.15 H new ATOM 0 HE3 TRP B 179 1.073 -0.021 5.277 1.00 0.16 H new ATOM 0 HZ2 TRP B 179 -2.346 3.604 5.281 1.00 0.16 H new ATOM 0 HZ3 TRP B 179 0.933 1.583 3.421 1.00 0.18 H new ATOM 0 HH2 TRP B 179 -0.752 3.376 3.425 1.00 0.18 H new ATOM 775 N ASP B 180 0.206 -4.315 8.345 1.00 0.13 N ATOM 776 CA ASP B 180 0.992 -5.460 8.789 1.00 0.14 C ATOM 777 C ASP B 180 1.246 -6.408 7.626 1.00 0.11 C ATOM 778 O ASP B 180 2.389 -6.782 7.344 1.00 0.12 O ATOM 779 CB ASP B 180 0.276 -6.215 9.915 1.00 0.19 C ATOM 780 CG ASP B 180 0.016 -5.357 11.137 1.00 1.21 C ATOM 781 OD1 ASP B 180 0.911 -5.243 11.995 1.00 1.82 O ATOM 782 OD2 ASP B 180 -1.093 -4.800 11.252 1.00 2.10 O ATOM 0 H ASP B 180 -0.742 -4.281 8.720 1.00 0.13 H new ATOM 0 HA ASP B 180 1.943 -5.086 9.168 1.00 0.14 H new ATOM 0 HB2 ASP B 180 -0.673 -6.599 9.540 1.00 0.19 H new ATOM 0 HB3 ASP B 180 0.877 -7.077 10.205 1.00 0.19 H new ATOM 787 N ASP B 181 0.171 -6.771 6.938 1.00 0.11 N ATOM 788 CA ASP B 181 0.249 -7.715 5.833 1.00 0.12 C ATOM 789 C ASP B 181 0.953 -7.091 4.644 1.00 0.11 C ATOM 790 O ASP B 181 1.684 -7.768 3.918 1.00 0.13 O ATOM 791 CB ASP B 181 -1.148 -8.189 5.427 1.00 0.16 C ATOM 792 CG ASP B 181 -1.817 -9.015 6.505 1.00 0.23 C ATOM 793 OD1 ASP B 181 -1.494 -10.214 6.624 1.00 0.81 O ATOM 794 OD2 ASP B 181 -2.668 -8.469 7.242 1.00 1.03 O ATOM 0 H ASP B 181 -0.769 -6.423 7.128 1.00 0.11 H new ATOM 0 HA ASP B 181 0.826 -8.577 6.167 1.00 0.12 H new ATOM 0 HB2 ASP B 181 -1.770 -7.323 5.199 1.00 0.16 H new ATOM 0 HB3 ASP B 181 -1.076 -8.779 4.514 1.00 0.16 H new ATOM 799 N ILE B 182 0.744 -5.795 4.451 1.00 0.11 N ATOM 800 CA ILE B 182 1.424 -5.079 3.390 1.00 0.14 C ATOM 801 C ILE B 182 2.915 -5.024 3.672 1.00 0.13 C ATOM 802 O ILE B 182 3.721 -5.268 2.782 1.00 0.13 O ATOM 803 CB ILE B 182 0.860 -3.655 3.200 1.00 0.16 C ATOM 804 CG1 ILE B 182 -0.526 -3.728 2.566 1.00 0.17 C ATOM 805 CG2 ILE B 182 1.789 -2.805 2.347 1.00 0.26 C ATOM 806 CD1 ILE B 182 -1.153 -2.377 2.327 1.00 0.20 C ATOM 0 H ILE B 182 0.112 -5.225 5.014 1.00 0.11 H new ATOM 0 HA ILE B 182 1.252 -5.622 2.461 1.00 0.14 H new ATOM 0 HB ILE B 182 0.782 -3.183 4.179 1.00 0.16 H new ATOM 0 HG12 ILE B 182 -0.455 -4.259 1.617 1.00 0.17 H new ATOM 0 HG13 ILE B 182 -1.181 -4.314 3.211 1.00 0.17 H new ATOM 0 HG21 ILE B 182 1.365 -1.808 2.231 1.00 0.26 H new ATOM 0 HG22 ILE B 182 2.762 -2.731 2.832 1.00 0.26 H new ATOM 0 HG23 ILE B 182 1.906 -3.266 1.366 1.00 0.26 H new ATOM 0 HD11 ILE B 182 -2.136 -2.507 1.875 1.00 0.20 H new ATOM 0 HD12 ILE B 182 -1.257 -1.851 3.276 1.00 0.20 H new ATOM 0 HD13 ILE B 182 -0.520 -1.795 1.657 1.00 0.20 H new ATOM 818 N GLU B 183 3.281 -4.737 4.918 1.00 0.13 N ATOM 819 CA GLU B 183 4.680 -4.737 5.322 1.00 0.15 C ATOM 820 C GLU B 183 5.321 -6.086 5.034 1.00 0.13 C ATOM 821 O GLU B 183 6.465 -6.159 4.594 1.00 0.14 O ATOM 822 CB GLU B 183 4.796 -4.417 6.813 1.00 0.18 C ATOM 823 CG GLU B 183 6.227 -4.322 7.312 1.00 0.27 C ATOM 824 CD GLU B 183 6.306 -4.151 8.812 1.00 0.34 C ATOM 825 OE1 GLU B 183 6.256 -2.998 9.287 1.00 1.09 O ATOM 826 OE2 GLU B 183 6.424 -5.172 9.525 1.00 1.07 O ATOM 0 H GLU B 183 2.627 -4.502 5.664 1.00 0.13 H new ATOM 0 HA GLU B 183 5.203 -3.972 4.748 1.00 0.15 H new ATOM 0 HB2 GLU B 183 4.288 -3.473 7.013 1.00 0.18 H new ATOM 0 HB3 GLU B 183 4.274 -5.186 7.382 1.00 0.18 H new ATOM 0 HG2 GLU B 183 6.770 -5.222 7.023 1.00 0.27 H new ATOM 0 HG3 GLU B 183 6.723 -3.481 6.827 1.00 0.27 H new ATOM 833 N ALA B 184 4.568 -7.156 5.268 1.00 0.13 N ATOM 834 CA ALA B 184 5.062 -8.500 5.018 1.00 0.13 C ATOM 835 C ALA B 184 5.260 -8.733 3.525 1.00 0.12 C ATOM 836 O ALA B 184 6.219 -9.385 3.105 1.00 0.13 O ATOM 837 CB ALA B 184 4.101 -9.527 5.594 1.00 0.15 C ATOM 0 H ALA B 184 3.615 -7.116 5.630 1.00 0.13 H new ATOM 0 HA ALA B 184 6.028 -8.610 5.510 1.00 0.13 H new ATOM 0 HB1 ALA B 184 4.481 -10.530 5.401 1.00 0.15 H new ATOM 0 HB2 ALA B 184 4.008 -9.375 6.669 1.00 0.15 H new ATOM 0 HB3 ALA B 184 3.123 -9.413 5.126 1.00 0.15 H new ATOM 843 N LEU B 185 4.368 -8.162 2.727 1.00 0.12 N ATOM 844 CA LEU B 185 4.446 -8.297 1.283 1.00 0.12 C ATOM 845 C LEU B 185 5.652 -7.545 0.750 1.00 0.11 C ATOM 846 O LEU B 185 6.374 -8.041 -0.108 1.00 0.11 O ATOM 847 CB LEU B 185 3.174 -7.772 0.618 1.00 0.14 C ATOM 848 CG LEU B 185 3.220 -7.709 -0.911 1.00 0.15 C ATOM 849 CD1 LEU B 185 3.414 -9.095 -1.506 1.00 0.16 C ATOM 850 CD2 LEU B 185 1.957 -7.068 -1.450 1.00 0.17 C ATOM 0 H LEU B 185 3.583 -7.601 3.057 1.00 0.12 H new ATOM 0 HA LEU B 185 4.550 -9.356 1.047 1.00 0.12 H new ATOM 0 HB2 LEU B 185 2.339 -8.406 0.915 1.00 0.14 H new ATOM 0 HB3 LEU B 185 2.968 -6.773 1.001 1.00 0.14 H new ATOM 0 HG LEU B 185 4.072 -7.096 -1.203 1.00 0.15 H new ATOM 0 HD11 LEU B 185 3.443 -9.023 -2.593 1.00 0.16 H new ATOM 0 HD12 LEU B 185 4.351 -9.518 -1.145 1.00 0.16 H new ATOM 0 HD13 LEU B 185 2.587 -9.738 -1.207 1.00 0.16 H new ATOM 0 HD21 LEU B 185 2.004 -7.030 -2.538 1.00 0.17 H new ATOM 0 HD22 LEU B 185 1.092 -7.656 -1.145 1.00 0.17 H new ATOM 0 HD23 LEU B 185 1.866 -6.056 -1.055 1.00 0.17 H new ATOM 862 N LEU B 186 5.873 -6.352 1.278 1.00 0.10 N ATOM 863 CA LEU B 186 6.998 -5.530 0.871 1.00 0.09 C ATOM 864 C LEU B 186 8.303 -6.109 1.387 1.00 0.09 C ATOM 865 O LEU B 186 9.355 -5.908 0.795 1.00 0.08 O ATOM 866 CB LEU B 186 6.827 -4.091 1.359 1.00 0.10 C ATOM 867 CG LEU B 186 6.019 -3.173 0.434 1.00 0.10 C ATOM 868 CD1 LEU B 186 6.658 -3.117 -0.940 1.00 0.09 C ATOM 869 CD2 LEU B 186 4.577 -3.637 0.324 1.00 0.14 C ATOM 0 H LEU B 186 5.282 -5.930 1.995 1.00 0.10 H new ATOM 0 HA LEU B 186 7.030 -5.522 -0.219 1.00 0.09 H new ATOM 0 HB2 LEU B 186 6.343 -4.112 2.335 1.00 0.10 H new ATOM 0 HB3 LEU B 186 7.815 -3.654 1.503 1.00 0.10 H new ATOM 0 HG LEU B 186 6.020 -2.173 0.867 1.00 0.10 H new ATOM 0 HD11 LEU B 186 6.074 -2.462 -1.586 1.00 0.09 H new ATOM 0 HD12 LEU B 186 7.673 -2.730 -0.854 1.00 0.09 H new ATOM 0 HD13 LEU B 186 6.686 -4.119 -1.369 1.00 0.09 H new ATOM 0 HD21 LEU B 186 4.029 -2.967 -0.338 1.00 0.14 H new ATOM 0 HD22 LEU B 186 4.550 -4.649 -0.080 1.00 0.14 H new ATOM 0 HD23 LEU B 186 4.116 -3.629 1.312 1.00 0.14 H new ATOM 881 N LYS B 187 8.224 -6.832 2.488 1.00 0.11 N ATOM 882 CA LYS B 187 9.385 -7.513 3.030 1.00 0.12 C ATOM 883 C LYS B 187 9.798 -8.639 2.096 1.00 0.13 C ATOM 884 O LYS B 187 10.983 -8.847 1.830 1.00 0.14 O ATOM 885 CB LYS B 187 9.085 -8.067 4.419 1.00 0.15 C ATOM 886 CG LYS B 187 10.291 -8.703 5.083 1.00 0.22 C ATOM 887 CD LYS B 187 9.953 -9.252 6.457 1.00 0.29 C ATOM 888 CE LYS B 187 8.980 -10.416 6.376 1.00 0.78 C ATOM 889 NZ LYS B 187 8.592 -10.910 7.722 1.00 1.62 N ATOM 0 H LYS B 187 7.367 -6.963 3.025 1.00 0.11 H new ATOM 0 HA LYS B 187 10.203 -6.797 3.117 1.00 0.12 H new ATOM 0 HB2 LYS B 187 8.713 -7.261 5.052 1.00 0.15 H new ATOM 0 HB3 LYS B 187 8.288 -8.807 4.344 1.00 0.15 H new ATOM 0 HG2 LYS B 187 10.671 -9.508 4.453 1.00 0.22 H new ATOM 0 HG3 LYS B 187 11.088 -7.965 5.172 1.00 0.22 H new ATOM 0 HD2 LYS B 187 10.867 -9.577 6.954 1.00 0.29 H new ATOM 0 HD3 LYS B 187 9.522 -8.460 7.069 1.00 0.29 H new ATOM 0 HE2 LYS B 187 8.088 -10.106 5.832 1.00 0.78 H new ATOM 0 HE3 LYS B 187 9.433 -11.229 5.808 1.00 0.78 H new ATOM 0 HZ1 LYS B 187 7.928 -11.704 7.622 1.00 1.62 H new ATOM 0 HZ2 LYS B 187 9.440 -11.230 8.232 1.00 1.62 H new ATOM 0 HZ3 LYS B 187 8.136 -10.142 8.256 1.00 1.62 H new ATOM 903 N ASN B 188 8.805 -9.365 1.608 1.00 0.15 N ATOM 904 CA ASN B 188 9.019 -10.425 0.634 1.00 0.19 C ATOM 905 C ASN B 188 9.413 -9.851 -0.725 1.00 0.18 C ATOM 906 O ASN B 188 10.153 -10.471 -1.486 1.00 0.24 O ATOM 907 CB ASN B 188 7.738 -11.256 0.517 1.00 0.24 C ATOM 908 CG ASN B 188 7.775 -12.259 -0.615 1.00 0.75 C ATOM 909 OD1 ASN B 188 8.250 -13.382 -0.454 1.00 0.74 O ATOM 910 ND2 ASN B 188 7.253 -11.866 -1.761 1.00 1.37 N ATOM 0 H ASN B 188 7.829 -9.237 1.875 1.00 0.15 H new ATOM 0 HA ASN B 188 9.839 -11.060 0.970 1.00 0.19 H new ATOM 0 HB2 ASN B 188 7.569 -11.784 1.455 1.00 0.24 H new ATOM 0 HB3 ASN B 188 6.891 -10.586 0.372 1.00 0.24 H new ATOM 0 HD21 ASN B 188 7.233 -12.503 -2.557 1.00 1.37 H new ATOM 0 HD22 ASN B 188 6.870 -10.925 -1.851 1.00 1.37 H new ATOM 917 N ASN B 189 8.912 -8.662 -1.015 1.00 0.13 N ATOM 918 CA ASN B 189 9.188 -7.982 -2.276 1.00 0.14 C ATOM 919 C ASN B 189 10.602 -7.410 -2.286 1.00 0.13 C ATOM 920 O ASN B 189 11.274 -7.378 -3.319 1.00 0.16 O ATOM 921 CB ASN B 189 8.172 -6.858 -2.473 1.00 0.13 C ATOM 922 CG ASN B 189 8.288 -6.177 -3.821 1.00 0.18 C ATOM 923 OD1 ASN B 189 9.028 -5.209 -3.981 1.00 0.20 O ATOM 924 ND2 ASN B 189 7.544 -6.670 -4.795 1.00 0.22 N ATOM 0 H ASN B 189 8.303 -8.139 -0.386 1.00 0.13 H new ATOM 0 HA ASN B 189 9.107 -8.702 -3.090 1.00 0.14 H new ATOM 0 HB2 ASN B 189 7.166 -7.263 -2.363 1.00 0.13 H new ATOM 0 HB3 ASN B 189 8.304 -6.116 -1.686 1.00 0.13 H new ATOM 0 HD21 ASN B 189 7.571 -6.245 -5.722 1.00 0.22 H new ATOM 0 HD22 ASN B 189 6.943 -7.475 -4.620 1.00 0.22 H new ATOM 931 N PHE B 190 11.044 -6.976 -1.118 1.00 0.10 N ATOM 932 CA PHE B 190 12.346 -6.355 -0.956 1.00 0.10 C ATOM 933 C PHE B 190 13.261 -7.234 -0.118 1.00 0.11 C ATOM 934 O PHE B 190 13.995 -6.721 0.722 1.00 0.12 O ATOM 935 CB PHE B 190 12.228 -4.969 -0.321 1.00 0.09 C ATOM 936 CG PHE B 190 11.737 -3.907 -1.262 1.00 0.10 C ATOM 937 CD1 PHE B 190 12.583 -3.381 -2.226 1.00 1.17 C ATOM 938 CD2 PHE B 190 10.440 -3.427 -1.181 1.00 1.18 C ATOM 939 CE1 PHE B 190 12.145 -2.400 -3.092 1.00 1.18 C ATOM 940 CE2 PHE B 190 9.998 -2.443 -2.047 1.00 1.18 C ATOM 941 CZ PHE B 190 10.851 -1.930 -3.001 1.00 0.14 C ATOM 0 H PHE B 190 10.508 -7.045 -0.253 1.00 0.10 H new ATOM 0 HA PHE B 190 12.779 -6.239 -1.950 1.00 0.10 H new ATOM 0 HB2 PHE B 190 11.550 -5.027 0.531 1.00 0.09 H new ATOM 0 HB3 PHE B 190 13.203 -4.674 0.067 1.00 0.09 H new ATOM 0 HD1 PHE B 190 13.598 -3.744 -2.300 1.00 1.17 H new ATOM 0 HD2 PHE B 190 9.768 -3.825 -0.435 1.00 1.18 H new ATOM 0 HE1 PHE B 190 12.814 -2.001 -3.840 1.00 1.18 H new ATOM 0 HE2 PHE B 190 8.985 -2.077 -1.976 1.00 1.18 H new ATOM 0 HZ PHE B 190 10.507 -1.161 -3.676 1.00 0.14 H new ATOM 951 N GLU B 191 13.056 -8.554 -0.236 1.00 0.14 N ATOM 952 CA GLU B 191 13.968 -9.617 0.272 1.00 0.20 C ATOM 953 C GLU B 191 15.482 -9.385 0.023 1.00 0.21 C ATOM 954 O GLU B 191 16.228 -10.313 -0.286 1.00 0.21 O ATOM 955 CB GLU B 191 13.540 -10.975 -0.298 1.00 0.29 C ATOM 956 CG GLU B 191 13.183 -10.957 -1.781 1.00 0.37 C ATOM 957 CD GLU B 191 14.375 -10.759 -2.689 1.00 0.84 C ATOM 958 OE1 GLU B 191 15.086 -11.745 -2.969 1.00 1.40 O ATOM 959 OE2 GLU B 191 14.602 -9.619 -3.142 1.00 1.73 O ATOM 0 H GLU B 191 12.230 -8.934 -0.699 1.00 0.14 H new ATOM 0 HA GLU B 191 13.863 -9.589 1.357 1.00 0.20 H new ATOM 0 HB2 GLU B 191 14.347 -11.691 -0.141 1.00 0.29 H new ATOM 0 HB3 GLU B 191 12.679 -11.336 0.265 1.00 0.29 H new ATOM 0 HG2 GLU B 191 12.692 -11.895 -2.039 1.00 0.37 H new ATOM 0 HG3 GLU B 191 12.462 -10.160 -1.963 1.00 0.37 H new ATOM 966 N ASN B 192 15.902 -8.156 0.184 1.00 0.31 N ATOM 967 CA ASN B 192 17.281 -7.747 0.028 1.00 0.44 C ATOM 968 C ASN B 192 17.503 -6.462 0.808 1.00 0.57 C ATOM 969 O ASN B 192 18.472 -6.323 1.550 1.00 1.08 O ATOM 970 CB ASN B 192 17.616 -7.535 -1.450 1.00 0.47 C ATOM 971 CG ASN B 192 19.079 -7.200 -1.677 1.00 0.62 C ATOM 972 OD1 ASN B 192 19.917 -8.089 -1.822 1.00 0.68 O ATOM 973 ND2 ASN B 192 19.399 -5.917 -1.726 1.00 1.16 N ATOM 0 H ASN B 192 15.279 -7.388 0.434 1.00 0.31 H new ATOM 0 HA ASN B 192 17.936 -8.529 0.412 1.00 0.44 H new ATOM 0 HB2 ASN B 192 17.363 -8.436 -2.009 1.00 0.47 H new ATOM 0 HB3 ASN B 192 16.997 -6.730 -1.847 1.00 0.47 H new ATOM 0 HD21 ASN B 192 20.367 -5.639 -1.888 1.00 1.16 H new ATOM 0 HD22 ASN B 192 18.678 -5.206 -1.601 1.00 1.16 H new ATOM 980 N ASP B 193 16.577 -5.528 0.641 1.00 0.21 N ATOM 981 CA ASP B 193 16.648 -4.248 1.323 1.00 0.24 C ATOM 982 C ASP B 193 15.481 -4.066 2.286 1.00 0.20 C ATOM 983 O ASP B 193 14.408 -3.590 1.905 1.00 0.17 O ATOM 984 CB ASP B 193 16.659 -3.104 0.312 1.00 0.33 C ATOM 985 CG ASP B 193 17.896 -3.105 -0.558 1.00 0.84 C ATOM 986 OD1 ASP B 193 18.920 -2.525 -0.140 1.00 1.78 O ATOM 987 OD2 ASP B 193 17.848 -3.682 -1.665 1.00 1.27 O ATOM 0 H ASP B 193 15.764 -5.636 0.035 1.00 0.21 H new ATOM 0 HA ASP B 193 17.575 -4.233 1.897 1.00 0.24 H new ATOM 0 HB2 ASP B 193 15.775 -3.176 -0.321 1.00 0.33 H new ATOM 0 HB3 ASP B 193 16.594 -2.154 0.843 1.00 0.33 H new ATOM 992 N GLN B 194 15.699 -4.429 3.539 1.00 0.22 N ATOM 993 CA GLN B 194 14.703 -4.211 4.579 1.00 0.21 C ATOM 994 C GLN B 194 14.525 -2.714 4.786 1.00 0.21 C ATOM 995 O GLN B 194 13.442 -2.235 5.116 1.00 0.25 O ATOM 996 CB GLN B 194 15.135 -4.876 5.885 1.00 0.26 C ATOM 997 CG GLN B 194 15.414 -6.367 5.758 1.00 0.26 C ATOM 998 CD GLN B 194 14.211 -7.153 5.266 1.00 0.25 C ATOM 999 OE1 GLN B 194 13.384 -7.603 6.056 1.00 0.44 O ATOM 1000 NE2 GLN B 194 14.115 -7.337 3.957 1.00 0.35 N ATOM 0 H GLN B 194 16.557 -4.876 3.862 1.00 0.22 H new ATOM 0 HA GLN B 194 13.757 -4.655 4.271 1.00 0.21 H new ATOM 0 HB2 GLN B 194 16.032 -4.379 6.254 1.00 0.26 H new ATOM 0 HB3 GLN B 194 14.356 -4.725 6.633 1.00 0.26 H new ATOM 0 HG2 GLN B 194 16.247 -6.519 5.071 1.00 0.26 H new ATOM 0 HG3 GLN B 194 15.725 -6.757 6.727 1.00 0.26 H new ATOM 0 HE21 GLN B 194 14.822 -6.947 3.334 1.00 0.35 H new ATOM 0 HE22 GLN B 194 13.334 -7.868 3.573 1.00 0.35 H new ATOM 1009 N ALA B 195 15.619 -1.990 4.580 1.00 0.25 N ATOM 1010 CA ALA B 195 15.603 -0.533 4.569 1.00 0.25 C ATOM 1011 C ALA B 195 14.597 -0.008 3.553 1.00 0.20 C ATOM 1012 O ALA B 195 13.937 1.005 3.781 1.00 0.19 O ATOM 1013 CB ALA B 195 16.988 0.005 4.257 1.00 0.33 C ATOM 0 H ALA B 195 16.540 -2.396 4.416 1.00 0.25 H new ATOM 0 HA ALA B 195 15.302 -0.189 5.559 1.00 0.25 H new ATOM 0 HB1 ALA B 195 16.962 1.095 4.252 1.00 0.33 H new ATOM 0 HB2 ALA B 195 17.691 -0.338 5.016 1.00 0.33 H new ATOM 0 HB3 ALA B 195 17.306 -0.355 3.279 1.00 0.33 H new ATOM 1019 N ALA B 196 14.460 -0.720 2.445 1.00 0.18 N ATOM 1020 CA ALA B 196 13.534 -0.320 1.402 1.00 0.15 C ATOM 1021 C ALA B 196 12.120 -0.640 1.834 1.00 0.11 C ATOM 1022 O ALA B 196 11.201 0.127 1.574 1.00 0.09 O ATOM 1023 CB ALA B 196 13.863 -1.004 0.087 1.00 0.18 C ATOM 0 H ALA B 196 14.978 -1.576 2.247 1.00 0.18 H new ATOM 0 HA ALA B 196 13.625 0.755 1.244 1.00 0.15 H new ATOM 0 HB1 ALA B 196 13.153 -0.686 -0.676 1.00 0.18 H new ATOM 0 HB2 ALA B 196 14.873 -0.733 -0.221 1.00 0.18 H new ATOM 0 HB3 ALA B 196 13.800 -2.085 0.213 1.00 0.18 H new ATOM 1029 N VAL B 197 11.960 -1.775 2.512 1.00 0.11 N ATOM 1030 CA VAL B 197 10.676 -2.142 3.101 1.00 0.10 C ATOM 1031 C VAL B 197 10.184 -1.025 4.015 1.00 0.11 C ATOM 1032 O VAL B 197 9.025 -0.615 3.958 1.00 0.11 O ATOM 1033 CB VAL B 197 10.779 -3.445 3.921 1.00 0.12 C ATOM 1034 CG1 VAL B 197 9.419 -3.846 4.474 1.00 0.14 C ATOM 1035 CG2 VAL B 197 11.368 -4.565 3.082 1.00 0.11 C ATOM 0 H VAL B 197 12.704 -2.455 2.666 1.00 0.11 H new ATOM 0 HA VAL B 197 9.974 -2.299 2.282 1.00 0.10 H new ATOM 0 HB VAL B 197 11.447 -3.262 4.762 1.00 0.12 H new ATOM 0 HG11 VAL B 197 9.517 -4.767 5.048 1.00 0.14 H new ATOM 0 HG12 VAL B 197 9.041 -3.054 5.120 1.00 0.14 H new ATOM 0 HG13 VAL B 197 8.723 -4.004 3.650 1.00 0.14 H new ATOM 0 HG21 VAL B 197 11.431 -5.474 3.681 1.00 0.11 H new ATOM 0 HG22 VAL B 197 10.731 -4.745 2.216 1.00 0.11 H new ATOM 0 HG23 VAL B 197 12.366 -4.282 2.746 1.00 0.11 H new ATOM 1045 N ARG B 198 11.095 -0.513 4.830 1.00 0.12 N ATOM 1046 CA ARG B 198 10.780 0.568 5.751 1.00 0.14 C ATOM 1047 C ARG B 198 10.345 1.808 4.988 1.00 0.13 C ATOM 1048 O ARG B 198 9.284 2.372 5.251 1.00 0.14 O ATOM 1049 CB ARG B 198 11.993 0.907 6.617 1.00 0.19 C ATOM 1050 CG ARG B 198 12.453 -0.232 7.507 1.00 0.24 C ATOM 1051 CD ARG B 198 13.636 0.184 8.361 1.00 0.35 C ATOM 1052 NE ARG B 198 13.320 1.335 9.209 1.00 1.12 N ATOM 1053 CZ ARG B 198 14.220 1.998 9.935 1.00 1.48 C ATOM 1054 NH1 ARG B 198 15.494 1.623 9.925 1.00 1.02 N ATOM 1055 NH2 ARG B 198 13.844 3.036 10.671 1.00 2.36 N ATOM 0 H ARG B 198 12.063 -0.831 4.872 1.00 0.12 H new ATOM 0 HA ARG B 198 9.964 0.236 6.392 1.00 0.14 H new ATOM 0 HB2 ARG B 198 12.818 1.204 5.969 1.00 0.19 H new ATOM 0 HB3 ARG B 198 11.752 1.768 7.241 1.00 0.19 H new ATOM 0 HG2 ARG B 198 11.632 -0.550 8.149 1.00 0.24 H new ATOM 0 HG3 ARG B 198 12.728 -1.089 6.892 1.00 0.24 H new ATOM 0 HD2 ARG B 198 13.945 -0.654 8.986 1.00 0.35 H new ATOM 0 HD3 ARG B 198 14.480 0.429 7.717 1.00 0.35 H new ATOM 0 HE ARG B 198 12.350 1.649 9.247 1.00 1.12 H new ATOM 0 HH11 ARG B 198 15.786 0.825 9.361 1.00 1.02 H new ATOM 0 HH12 ARG B 198 16.180 2.133 10.482 1.00 1.02 H new ATOM 0 HH21 ARG B 198 12.866 3.327 10.681 1.00 2.36 H new ATOM 0 HH22 ARG B 198 14.533 3.543 11.227 1.00 2.36 H new ATOM 1069 N GLN B 199 11.166 2.211 4.026 1.00 0.13 N ATOM 1070 CA GLN B 199 10.921 3.422 3.256 1.00 0.13 C ATOM 1071 C GLN B 199 9.590 3.365 2.510 1.00 0.12 C ATOM 1072 O GLN B 199 8.844 4.349 2.474 1.00 0.12 O ATOM 1073 CB GLN B 199 12.057 3.649 2.264 1.00 0.14 C ATOM 1074 CG GLN B 199 13.409 3.875 2.917 1.00 0.17 C ATOM 1075 CD GLN B 199 14.520 4.075 1.902 1.00 0.23 C ATOM 1076 OE1 GLN B 199 14.811 5.199 1.490 1.00 0.29 O ATOM 1077 NE2 GLN B 199 15.147 2.986 1.492 1.00 0.25 N ATOM 0 H GLN B 199 12.014 1.711 3.760 1.00 0.13 H new ATOM 0 HA GLN B 199 10.873 4.253 3.960 1.00 0.13 H new ATOM 0 HB2 GLN B 199 12.125 2.787 1.601 1.00 0.14 H new ATOM 0 HB3 GLN B 199 11.816 4.511 1.642 1.00 0.14 H new ATOM 0 HG2 GLN B 199 13.353 4.749 3.567 1.00 0.17 H new ATOM 0 HG3 GLN B 199 13.650 3.021 3.551 1.00 0.17 H new ATOM 0 HE21 GLN B 199 14.876 2.073 1.858 1.00 0.25 H new ATOM 0 HE22 GLN B 199 15.902 3.058 0.810 1.00 0.25 H new ATOM 1086 N VAL B 200 9.272 2.209 1.943 1.00 0.12 N ATOM 1087 CA VAL B 200 8.071 2.086 1.137 1.00 0.12 C ATOM 1088 C VAL B 200 6.841 2.064 2.029 1.00 0.12 C ATOM 1089 O VAL B 200 5.814 2.645 1.687 1.00 0.12 O ATOM 1090 CB VAL B 200 8.078 0.838 0.220 1.00 0.14 C ATOM 1091 CG1 VAL B 200 9.249 0.886 -0.744 1.00 0.16 C ATOM 1092 CG2 VAL B 200 8.111 -0.447 1.028 1.00 0.15 C ATOM 0 H VAL B 200 9.823 1.354 2.026 1.00 0.12 H new ATOM 0 HA VAL B 200 8.044 2.959 0.484 1.00 0.12 H new ATOM 0 HB VAL B 200 7.152 0.848 -0.354 1.00 0.14 H new ATOM 0 HG11 VAL B 200 9.235 -0.000 -1.378 1.00 0.16 H new ATOM 0 HG12 VAL B 200 9.173 1.778 -1.365 1.00 0.16 H new ATOM 0 HG13 VAL B 200 10.182 0.914 -0.182 1.00 0.16 H new ATOM 0 HG21 VAL B 200 8.115 -1.302 0.352 1.00 0.15 H new ATOM 0 HG22 VAL B 200 9.010 -0.467 1.643 1.00 0.15 H new ATOM 0 HG23 VAL B 200 7.231 -0.496 1.670 1.00 0.15 H new ATOM 1102 N MET B 201 6.958 1.427 3.190 1.00 0.13 N ATOM 1103 CA MET B 201 5.847 1.351 4.124 1.00 0.15 C ATOM 1104 C MET B 201 5.544 2.714 4.719 1.00 0.12 C ATOM 1105 O MET B 201 4.383 3.092 4.862 1.00 0.14 O ATOM 1106 CB MET B 201 6.137 0.350 5.244 1.00 0.20 C ATOM 1107 CG MET B 201 6.090 -1.098 4.788 1.00 1.01 C ATOM 1108 SD MET B 201 4.515 -1.535 4.026 1.00 1.58 S ATOM 1109 CE MET B 201 3.374 -1.178 5.360 1.00 1.20 C ATOM 0 H MET B 201 7.808 0.959 3.503 1.00 0.13 H new ATOM 0 HA MET B 201 4.975 1.009 3.567 1.00 0.15 H new ATOM 0 HB2 MET B 201 7.122 0.559 5.662 1.00 0.20 H new ATOM 0 HB3 MET B 201 5.413 0.494 6.046 1.00 0.20 H new ATOM 0 HG2 MET B 201 6.896 -1.277 4.076 1.00 1.01 H new ATOM 0 HG3 MET B 201 6.269 -1.750 5.643 1.00 1.01 H new ATOM 0 HE1 MET B 201 2.466 -1.766 5.229 1.00 1.20 H new ATOM 0 HE2 MET B 201 3.837 -1.433 6.313 1.00 1.20 H new ATOM 0 HE3 MET B 201 3.124 -0.117 5.351 1.00 1.20 H new ATOM 1119 N GLU B 202 6.588 3.470 5.027 1.00 0.11 N ATOM 1120 CA GLU B 202 6.415 4.772 5.649 1.00 0.11 C ATOM 1121 C GLU B 202 5.915 5.788 4.634 1.00 0.10 C ATOM 1122 O GLU B 202 5.215 6.735 4.986 1.00 0.10 O ATOM 1123 CB GLU B 202 7.720 5.254 6.281 1.00 0.12 C ATOM 1124 CG GLU B 202 8.144 4.437 7.489 1.00 0.14 C ATOM 1125 CD GLU B 202 9.361 5.011 8.181 1.00 0.19 C ATOM 1126 OE1 GLU B 202 9.219 6.026 8.896 1.00 1.00 O ATOM 1127 OE2 GLU B 202 10.469 4.456 8.015 1.00 1.06 O ATOM 0 H GLU B 202 7.558 3.205 4.857 1.00 0.11 H new ATOM 0 HA GLU B 202 5.670 4.671 6.438 1.00 0.11 H new ATOM 0 HB2 GLU B 202 8.512 5.220 5.533 1.00 0.12 H new ATOM 0 HB3 GLU B 202 7.607 6.297 6.578 1.00 0.12 H new ATOM 0 HG2 GLU B 202 7.317 4.387 8.198 1.00 0.14 H new ATOM 0 HG3 GLU B 202 8.357 3.415 7.175 1.00 0.14 H new ATOM 1134 N ARG B 203 6.244 5.567 3.367 1.00 0.09 N ATOM 1135 CA ARG B 203 5.795 6.461 2.312 1.00 0.09 C ATOM 1136 C ARG B 203 4.344 6.155 1.952 1.00 0.08 C ATOM 1137 O ARG B 203 3.567 7.060 1.669 1.00 0.09 O ATOM 1138 CB ARG B 203 6.694 6.345 1.081 1.00 0.10 C ATOM 1139 CG ARG B 203 6.256 7.232 -0.071 1.00 0.21 C ATOM 1140 CD ARG B 203 7.249 7.179 -1.218 1.00 0.15 C ATOM 1141 NE ARG B 203 6.733 7.818 -2.426 1.00 0.47 N ATOM 1142 CZ ARG B 203 7.409 7.904 -3.570 1.00 0.40 C ATOM 1143 NH1 ARG B 203 8.662 7.471 -3.641 1.00 0.60 N ATOM 1144 NH2 ARG B 203 6.830 8.428 -4.638 1.00 0.79 N ATOM 0 H ARG B 203 6.815 4.784 3.049 1.00 0.09 H new ATOM 0 HA ARG B 203 5.857 7.487 2.675 1.00 0.09 H new ATOM 0 HB2 ARG B 203 7.715 6.603 1.361 1.00 0.10 H new ATOM 0 HB3 ARG B 203 6.707 5.308 0.746 1.00 0.10 H new ATOM 0 HG2 ARG B 203 5.274 6.916 -0.423 1.00 0.21 H new ATOM 0 HG3 ARG B 203 6.154 8.260 0.277 1.00 0.21 H new ATOM 0 HD2 ARG B 203 8.175 7.669 -0.917 1.00 0.15 H new ATOM 0 HD3 ARG B 203 7.495 6.140 -1.436 1.00 0.15 H new ATOM 0 HE ARG B 203 5.798 8.223 -2.391 1.00 0.47 H new ATOM 0 HH11 ARG B 203 9.111 7.070 -2.817 1.00 0.60 H new ATOM 0 HH12 ARG B 203 9.176 7.539 -4.519 1.00 0.60 H new ATOM 0 HH21 ARG B 203 5.869 8.765 -4.583 1.00 0.79 H new ATOM 0 HH22 ARG B 203 7.345 8.495 -5.516 1.00 0.79 H new ATOM 1158 N LEU B 204 3.991 4.874 1.955 1.00 0.08 N ATOM 1159 CA LEU B 204 2.603 4.461 1.772 1.00 0.08 C ATOM 1160 C LEU B 204 1.720 4.990 2.898 1.00 0.08 C ATOM 1161 O LEU B 204 0.598 5.426 2.660 1.00 0.08 O ATOM 1162 CB LEU B 204 2.496 2.936 1.708 1.00 0.08 C ATOM 1163 CG LEU B 204 2.991 2.292 0.412 1.00 0.08 C ATOM 1164 CD1 LEU B 204 3.085 0.783 0.569 1.00 0.09 C ATOM 1165 CD2 LEU B 204 2.061 2.641 -0.740 1.00 0.09 C ATOM 0 H LEU B 204 4.647 4.103 2.082 1.00 0.08 H new ATOM 0 HA LEU B 204 2.256 4.882 0.829 1.00 0.08 H new ATOM 0 HB2 LEU B 204 3.060 2.515 2.540 1.00 0.08 H new ATOM 0 HB3 LEU B 204 1.453 2.656 1.856 1.00 0.08 H new ATOM 0 HG LEU B 204 3.985 2.682 0.192 1.00 0.08 H new ATOM 0 HD11 LEU B 204 3.439 0.342 -0.363 1.00 0.09 H new ATOM 0 HD12 LEU B 204 3.782 0.543 1.372 1.00 0.09 H new ATOM 0 HD13 LEU B 204 2.101 0.380 0.811 1.00 0.09 H new ATOM 0 HD21 LEU B 204 2.426 2.176 -1.656 1.00 0.09 H new ATOM 0 HD22 LEU B 204 1.058 2.275 -0.522 1.00 0.09 H new ATOM 0 HD23 LEU B 204 2.032 3.723 -0.869 1.00 0.09 H new ATOM 1177 N GLN B 205 2.235 4.955 4.123 1.00 0.10 N ATOM 1178 CA GLN B 205 1.485 5.432 5.282 1.00 0.12 C ATOM 1179 C GLN B 205 1.322 6.948 5.241 1.00 0.11 C ATOM 1180 O GLN B 205 0.224 7.474 5.446 1.00 0.13 O ATOM 1181 CB GLN B 205 2.167 5.015 6.583 1.00 0.17 C ATOM 1182 CG GLN B 205 2.092 3.523 6.852 1.00 0.65 C ATOM 1183 CD GLN B 205 2.812 3.121 8.122 1.00 0.76 C ATOM 1184 OE1 GLN B 205 2.904 3.898 9.071 1.00 1.30 O ATOM 1185 NE2 GLN B 205 3.319 1.899 8.153 1.00 0.81 N ATOM 0 H GLN B 205 3.167 4.602 4.340 1.00 0.10 H new ATOM 0 HA GLN B 205 0.496 4.975 5.245 1.00 0.12 H new ATOM 0 HB2 GLN B 205 3.213 5.318 6.549 1.00 0.17 H new ATOM 0 HB3 GLN B 205 1.707 5.550 7.414 1.00 0.17 H new ATOM 0 HG2 GLN B 205 1.046 3.223 6.921 1.00 0.65 H new ATOM 0 HG3 GLN B 205 2.523 2.984 6.009 1.00 0.65 H new ATOM 0 HE21 GLN B 205 3.221 1.285 7.344 1.00 0.81 H new ATOM 0 HE22 GLN B 205 3.808 1.571 8.986 1.00 0.81 H new ATOM 1194 N LYS B 206 2.417 7.645 4.971 1.00 0.10 N ATOM 1195 CA LYS B 206 2.391 9.092 4.864 1.00 0.11 C ATOM 1196 C LYS B 206 1.465 9.509 3.733 1.00 0.09 C ATOM 1197 O LYS B 206 0.599 10.360 3.906 1.00 0.09 O ATOM 1198 CB LYS B 206 3.800 9.633 4.623 1.00 0.14 C ATOM 1199 CG LYS B 206 3.856 11.140 4.457 1.00 0.20 C ATOM 1200 CD LYS B 206 5.284 11.629 4.291 1.00 0.32 C ATOM 1201 CE LYS B 206 5.339 13.139 4.129 1.00 0.93 C ATOM 1202 NZ LYS B 206 6.737 13.640 4.068 1.00 1.52 N ATOM 0 H LYS B 206 3.336 7.228 4.822 1.00 0.10 H new ATOM 0 HA LYS B 206 2.018 9.509 5.799 1.00 0.11 H new ATOM 0 HB2 LYS B 206 4.438 9.345 5.459 1.00 0.14 H new ATOM 0 HB3 LYS B 206 4.212 9.163 3.730 1.00 0.14 H new ATOM 0 HG2 LYS B 206 3.267 11.434 3.588 1.00 0.20 H new ATOM 0 HG3 LYS B 206 3.405 11.620 5.325 1.00 0.20 H new ATOM 0 HD2 LYS B 206 5.874 11.333 5.158 1.00 0.32 H new ATOM 0 HD3 LYS B 206 5.735 11.152 3.421 1.00 0.32 H new ATOM 0 HE2 LYS B 206 4.811 13.426 3.220 1.00 0.93 H new ATOM 0 HE3 LYS B 206 4.820 13.613 4.962 1.00 0.93 H new ATOM 0 HZ1 LYS B 206 6.731 14.674 3.957 1.00 1.52 H new ATOM 0 HZ2 LYS B 206 7.234 13.389 4.946 1.00 1.52 H new ATOM 0 HZ3 LYS B 206 7.226 13.208 3.258 1.00 1.52 H new ATOM 1216 N GLY B 207 1.655 8.887 2.581 1.00 0.10 N ATOM 1217 CA GLY B 207 0.811 9.144 1.440 1.00 0.10 C ATOM 1218 C GLY B 207 -0.650 8.875 1.719 1.00 0.08 C ATOM 1219 O GLY B 207 -1.510 9.629 1.285 1.00 0.09 O ATOM 0 H GLY B 207 2.390 8.199 2.417 1.00 0.10 H new ATOM 0 HA2 GLY B 207 0.932 10.182 1.131 1.00 0.10 H new ATOM 0 HA3 GLY B 207 1.137 8.523 0.606 1.00 0.10 H new ATOM 1223 N TRP B 208 -0.934 7.801 2.438 1.00 0.08 N ATOM 1224 CA TRP B 208 -2.299 7.486 2.840 1.00 0.08 C ATOM 1225 C TRP B 208 -2.874 8.629 3.671 1.00 0.09 C ATOM 1226 O TRP B 208 -4.052 8.974 3.555 1.00 0.11 O ATOM 1227 CB TRP B 208 -2.325 6.179 3.640 1.00 0.09 C ATOM 1228 CG TRP B 208 -3.697 5.755 4.063 1.00 0.08 C ATOM 1229 CD1 TRP B 208 -4.276 5.949 5.282 1.00 0.09 C ATOM 1230 CD2 TRP B 208 -4.662 5.060 3.267 1.00 0.10 C ATOM 1231 NE1 TRP B 208 -5.544 5.423 5.291 1.00 0.12 N ATOM 1232 CE2 TRP B 208 -5.804 4.872 4.066 1.00 0.12 C ATOM 1233 CE3 TRP B 208 -4.672 4.583 1.956 1.00 0.12 C ATOM 1234 CZ2 TRP B 208 -6.943 4.225 3.597 1.00 0.15 C ATOM 1235 CZ3 TRP B 208 -5.803 3.942 1.491 1.00 0.14 C ATOM 1236 CH2 TRP B 208 -6.925 3.769 2.309 1.00 0.16 C ATOM 0 H TRP B 208 -0.236 7.129 2.757 1.00 0.08 H new ATOM 0 HA TRP B 208 -2.912 7.359 1.947 1.00 0.08 H new ATOM 0 HB2 TRP B 208 -1.880 5.387 3.038 1.00 0.09 H new ATOM 0 HB3 TRP B 208 -1.701 6.294 4.526 1.00 0.09 H new ATOM 0 HD1 TRP B 208 -3.806 6.444 6.119 1.00 0.09 H new ATOM 0 HE1 TRP B 208 -6.188 5.440 6.082 1.00 0.12 H new ATOM 0 HE3 TRP B 208 -3.811 4.713 1.317 1.00 0.12 H new ATOM 0 HZ2 TRP B 208 -7.809 4.088 4.227 1.00 0.15 H new ATOM 0 HZ3 TRP B 208 -5.822 3.568 0.478 1.00 0.14 H new ATOM 0 HH2 TRP B 208 -7.795 3.265 1.914 1.00 0.16 H new ATOM 1247 N SER B 209 -2.024 9.219 4.497 1.00 0.10 N ATOM 1248 CA SER B 209 -2.416 10.335 5.342 1.00 0.12 C ATOM 1249 C SER B 209 -2.558 11.627 4.527 1.00 0.12 C ATOM 1250 O SER B 209 -3.312 12.529 4.894 1.00 0.16 O ATOM 1251 CB SER B 209 -1.380 10.518 6.449 1.00 0.15 C ATOM 1252 OG SER B 209 -1.166 9.301 7.146 1.00 1.18 O ATOM 0 H SER B 209 -1.048 8.939 4.600 1.00 0.10 H new ATOM 0 HA SER B 209 -3.388 10.114 5.783 1.00 0.12 H new ATOM 0 HB2 SER B 209 -0.441 10.866 6.020 1.00 0.15 H new ATOM 0 HB3 SER B 209 -1.717 11.286 7.145 1.00 0.15 H new ATOM 0 HG SER B 209 -0.677 8.676 6.571 1.00 1.18 H new ATOM 1258 N LEU B 210 -1.844 11.696 3.410 1.00 0.10 N ATOM 1259 CA LEU B 210 -1.860 12.882 2.560 1.00 0.11 C ATOM 1260 C LEU B 210 -3.035 12.845 1.593 1.00 0.11 C ATOM 1261 O LEU B 210 -3.628 13.877 1.278 1.00 0.12 O ATOM 1262 CB LEU B 210 -0.557 12.994 1.766 1.00 0.10 C ATOM 1263 CG LEU B 210 0.716 13.147 2.598 1.00 0.11 C ATOM 1264 CD1 LEU B 210 1.937 13.190 1.693 1.00 0.11 C ATOM 1265 CD2 LEU B 210 0.644 14.401 3.458 1.00 0.15 C ATOM 0 H LEU B 210 -1.245 10.943 3.070 1.00 0.10 H new ATOM 0 HA LEU B 210 -1.963 13.751 3.210 1.00 0.11 H new ATOM 0 HB2 LEU B 210 -0.456 12.106 1.142 1.00 0.10 H new ATOM 0 HB3 LEU B 210 -0.635 13.849 1.094 1.00 0.10 H new ATOM 0 HG LEU B 210 0.805 12.284 3.258 1.00 0.11 H new ATOM 0 HD11 LEU B 210 2.836 13.299 2.300 1.00 0.11 H new ATOM 0 HD12 LEU B 210 1.997 12.266 1.119 1.00 0.11 H new ATOM 0 HD13 LEU B 210 1.855 14.036 1.011 1.00 0.11 H new ATOM 0 HD21 LEU B 210 1.559 14.494 4.043 1.00 0.15 H new ATOM 0 HD22 LEU B 210 0.533 15.276 2.817 1.00 0.15 H new ATOM 0 HD23 LEU B 210 -0.211 14.333 4.130 1.00 0.15 H new ATOM 1277 N ALA B 211 -3.371 11.650 1.133 1.00 0.11 N ATOM 1278 CA ALA B 211 -4.399 11.466 0.122 1.00 0.14 C ATOM 1279 C ALA B 211 -5.792 11.398 0.734 1.00 0.23 C ATOM 1280 O ALA B 211 -6.650 10.656 0.255 1.00 0.37 O ATOM 1281 CB ALA B 211 -4.118 10.205 -0.683 1.00 0.20 C ATOM 0 H ALA B 211 -2.939 10.782 1.450 1.00 0.11 H new ATOM 0 HA ALA B 211 -4.373 12.333 -0.538 1.00 0.14 H new ATOM 0 HB1 ALA B 211 -4.893 10.075 -1.438 1.00 0.20 H new ATOM 0 HB2 ALA B 211 -3.147 10.294 -1.171 1.00 0.20 H new ATOM 0 HB3 ALA B 211 -4.112 9.342 -0.017 1.00 0.20 H new ATOM 1287 N LYS B 212 -6.012 12.139 1.808 1.00 0.28 N ATOM 1288 CA LYS B 212 -7.342 12.255 2.379 1.00 0.43 C ATOM 1289 C LYS B 212 -8.154 13.265 1.578 1.00 0.71 C ATOM 1290 O LYS B 212 -8.863 12.856 0.637 1.00 1.30 O ATOM 1291 CB LYS B 212 -7.267 12.697 3.843 1.00 0.42 C ATOM 1292 CG LYS B 212 -6.470 11.762 4.737 1.00 1.07 C ATOM 1293 CD LYS B 212 -6.451 12.255 6.174 1.00 1.04 C ATOM 1294 CE LYS B 212 -5.572 11.382 7.055 1.00 1.86 C ATOM 1295 NZ LYS B 212 -5.532 11.865 8.461 1.00 2.34 N ATOM 1296 OXT LYS B 212 -8.061 14.473 1.875 1.00 1.13 O ATOM 0 H LYS B 212 -5.290 12.666 2.299 1.00 0.28 H new ATOM 0 HA LYS B 212 -7.826 11.279 2.337 1.00 0.43 H new ATOM 0 HB2 LYS B 212 -6.822 13.691 3.888 1.00 0.42 H new ATOM 0 HB3 LYS B 212 -8.280 12.783 4.237 1.00 0.42 H new ATOM 0 HG2 LYS B 212 -6.903 10.762 4.699 1.00 1.07 H new ATOM 0 HG3 LYS B 212 -5.449 11.682 4.364 1.00 1.07 H new ATOM 0 HD2 LYS B 212 -6.088 13.282 6.202 1.00 1.04 H new ATOM 0 HD3 LYS B 212 -7.467 12.265 6.569 1.00 1.04 H new ATOM 0 HE2 LYS B 212 -5.943 10.357 7.035 1.00 1.86 H new ATOM 0 HE3 LYS B 212 -4.560 11.362 6.650 1.00 1.86 H new ATOM 0 HZ1 LYS B 212 -4.921 11.240 9.025 1.00 2.34 H new ATOM 0 HZ2 LYS B 212 -5.153 12.833 8.485 1.00 2.34 H new ATOM 0 HZ3 LYS B 212 -6.493 11.860 8.857 1.00 2.34 H new