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 36:sc= 0.125 USER MOD Single : A 187 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 ASN : amide:sc= 1.24 K(o=1.2,f=-0.027) USER MOD Single : A 189 ASN : amide:sc=-0.00328 X(o=-0.0033,f=0.26) USER MOD Single : A 192 ASN : amide:sc= 1.08 K(o=1.1,f=-0.0038) USER MOD Single : A 194 GLN : amide:sc= -0.0683 K(o=-0.068,f=-1.8!) USER MOD Single : A 199 GLN : amide:sc= 0.0261 X(o=0.026,f=0) USER MOD Single : A 201 MET CE :methyl -156:sc= -1.01 (180deg=-2.04) USER MOD Single : A 205 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 SER OG : rot 72:sc= 0.459 USER MOD Single : B 176 THR OG1 : rot 24:sc= 0.136 USER MOD Single : B 187 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 188 ASN : amide:sc= 1.16 K(o=1.2,f=-0.022) USER MOD Single : B 189 ASN : amide:sc= -0.0149 X(o=-0.015,f=0.22) USER MOD Single : B 192 ASN : amide:sc= 0.906 K(o=0.91,f=0) USER MOD Single : B 194 GLN : amide:sc= -0.0662 K(o=-0.066,f=-1.8!) USER MOD Single : B 199 GLN : amide:sc= 0.021 X(o=0.021,f=0) USER MOD Single : B 201 MET CE :methyl -163:sc= -1 (180deg=-2.01) USER MOD Single : B 205 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : B 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 SER OG : rot 70:sc= 0.461 USER MOD Single : B 212 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N THR A 176 9.997 0.502 -6.009 1.00 0.23 N ATOM 53 CA THR A 176 8.864 -0.027 -6.735 1.00 0.24 C ATOM 54 C THR A 176 7.906 -0.726 -5.782 1.00 0.20 C ATOM 55 O THR A 176 8.315 -1.543 -4.959 1.00 0.21 O ATOM 56 CB THR A 176 9.313 -1.016 -7.828 1.00 0.31 C ATOM 57 OG1 THR A 176 10.289 -0.395 -8.676 1.00 0.34 O ATOM 58 CG2 THR A 176 8.130 -1.478 -8.666 1.00 0.37 C ATOM 0 HA THR A 176 8.357 0.811 -7.213 1.00 0.24 H new ATOM 0 HB THR A 176 9.751 -1.886 -7.340 1.00 0.31 H new ATOM 0 HG1 THR A 176 10.861 0.194 -8.140 1.00 0.34 H new ATOM 0 HG21 THR A 176 8.475 -2.175 -9.430 1.00 0.37 H new ATOM 0 HG22 THR A 176 7.401 -1.974 -8.025 1.00 0.37 H new ATOM 0 HG23 THR A 176 7.665 -0.616 -9.145 1.00 0.37 H new ATOM 66 N VAL A 177 6.636 -0.392 -5.898 1.00 0.17 N ATOM 67 CA VAL A 177 5.611 -0.983 -5.068 1.00 0.14 C ATOM 68 C VAL A 177 4.793 -1.968 -5.892 1.00 0.13 C ATOM 69 O VAL A 177 4.335 -1.634 -6.983 1.00 0.14 O ATOM 70 CB VAL A 177 4.682 0.100 -4.487 1.00 0.14 C ATOM 71 CG1 VAL A 177 3.560 -0.523 -3.678 1.00 0.14 C ATOM 72 CG2 VAL A 177 5.472 1.076 -3.636 1.00 0.19 C ATOM 0 H VAL A 177 6.289 0.294 -6.568 1.00 0.17 H new ATOM 0 HA VAL A 177 6.094 -1.504 -4.241 1.00 0.14 H new ATOM 0 HB VAL A 177 4.236 0.645 -5.319 1.00 0.14 H new ATOM 0 HG11 VAL A 177 2.919 0.263 -3.279 1.00 0.14 H new ATOM 0 HG12 VAL A 177 2.972 -1.181 -4.318 1.00 0.14 H new ATOM 0 HG13 VAL A 177 3.982 -1.100 -2.855 1.00 0.14 H new ATOM 0 HG21 VAL A 177 4.800 1.834 -3.234 1.00 0.19 H new ATOM 0 HG22 VAL A 177 5.948 0.540 -2.815 1.00 0.19 H new ATOM 0 HG23 VAL A 177 6.236 1.556 -4.247 1.00 0.19 H new ATOM 82 N PRO A 178 4.622 -3.206 -5.405 1.00 0.13 N ATOM 83 CA PRO A 178 3.799 -4.188 -6.096 1.00 0.13 C ATOM 84 C PRO A 178 2.317 -3.878 -5.918 1.00 0.12 C ATOM 85 O PRO A 178 1.655 -4.392 -5.018 1.00 0.11 O ATOM 86 CB PRO A 178 4.170 -5.501 -5.408 1.00 0.13 C ATOM 87 CG PRO A 178 4.602 -5.103 -4.037 1.00 0.13 C ATOM 88 CD PRO A 178 5.220 -3.737 -4.172 1.00 0.13 C ATOM 0 HA PRO A 178 3.968 -4.207 -7.173 1.00 0.13 H new ATOM 0 HB2 PRO A 178 3.321 -6.183 -5.373 1.00 0.13 H new ATOM 0 HB3 PRO A 178 4.970 -6.015 -5.941 1.00 0.13 H new ATOM 0 HG2 PRO A 178 3.754 -5.081 -3.353 1.00 0.13 H new ATOM 0 HG3 PRO A 178 5.320 -5.817 -3.632 1.00 0.13 H new ATOM 0 HD2 PRO A 178 4.991 -3.107 -3.312 1.00 0.13 H new ATOM 0 HD3 PRO A 178 6.306 -3.794 -4.246 1.00 0.13 H new ATOM 96 N TRP A 179 1.807 -3.062 -6.820 1.00 0.14 N ATOM 97 CA TRP A 179 0.428 -2.609 -6.758 1.00 0.14 C ATOM 98 C TRP A 179 -0.551 -3.732 -7.061 1.00 0.13 C ATOM 99 O TRP A 179 -1.671 -3.729 -6.562 1.00 0.15 O ATOM 100 CB TRP A 179 0.209 -1.433 -7.705 1.00 0.17 C ATOM 101 CG TRP A 179 1.016 -0.229 -7.330 1.00 0.15 C ATOM 102 CD1 TRP A 179 2.070 0.303 -8.012 1.00 0.16 C ATOM 103 CD2 TRP A 179 0.843 0.582 -6.164 1.00 0.14 C ATOM 104 NE1 TRP A 179 2.557 1.402 -7.346 1.00 0.15 N ATOM 105 CE2 TRP A 179 1.819 1.593 -6.208 1.00 0.15 C ATOM 106 CE3 TRP A 179 -0.047 0.551 -5.090 1.00 0.16 C ATOM 107 CZ2 TRP A 179 1.927 2.566 -5.219 1.00 0.16 C ATOM 108 CZ3 TRP A 179 0.061 1.513 -4.109 1.00 0.18 C ATOM 109 CH2 TRP A 179 1.042 2.510 -4.178 1.00 0.18 C ATOM 0 H TRP A 179 2.333 -2.695 -7.613 1.00 0.14 H new ATOM 0 HA TRP A 179 0.237 -2.278 -5.737 1.00 0.14 H new ATOM 0 HB2 TRP A 179 0.467 -1.736 -8.720 1.00 0.17 H new ATOM 0 HB3 TRP A 179 -0.848 -1.169 -7.711 1.00 0.17 H new ATOM 0 HD1 TRP A 179 2.465 -0.083 -8.940 1.00 0.16 H new ATOM 0 HE1 TRP A 179 3.340 1.981 -7.650 1.00 0.15 H new ATOM 0 HE3 TRP A 179 -0.807 -0.214 -5.028 1.00 0.16 H new ATOM 0 HZ2 TRP A 179 2.682 3.337 -5.272 1.00 0.16 H new ATOM 0 HZ3 TRP A 179 -0.622 1.498 -3.273 1.00 0.18 H new ATOM 0 HH2 TRP A 179 1.101 3.250 -3.393 1.00 0.18 H new ATOM 120 N ASP A 180 -0.127 -4.700 -7.855 1.00 0.13 N ATOM 121 CA ASP A 180 -0.998 -5.818 -8.196 1.00 0.14 C ATOM 122 C ASP A 180 -1.134 -6.765 -7.010 1.00 0.12 C ATOM 123 O ASP A 180 -2.237 -7.199 -6.671 1.00 0.12 O ATOM 124 CB ASP A 180 -0.473 -6.578 -9.415 1.00 0.19 C ATOM 125 CG ASP A 180 -1.460 -7.624 -9.906 1.00 1.21 C ATOM 126 OD1 ASP A 180 -2.325 -7.285 -10.744 1.00 1.81 O ATOM 127 OD2 ASP A 180 -1.378 -8.789 -9.461 1.00 2.10 O ATOM 0 H ASP A 180 0.803 -4.738 -8.273 1.00 0.13 H new ATOM 0 HA ASP A 180 -1.979 -5.413 -8.444 1.00 0.14 H new ATOM 0 HB2 ASP A 180 -0.264 -5.872 -10.219 1.00 0.19 H new ATOM 0 HB3 ASP A 180 0.470 -7.061 -9.161 1.00 0.19 H new ATOM 132 N ASP A 181 -0.008 -7.062 -6.369 1.00 0.11 N ATOM 133 CA ASP A 181 0.006 -7.946 -5.207 1.00 0.12 C ATOM 134 C ASP A 181 -0.717 -7.300 -4.041 1.00 0.11 C ATOM 135 O ASP A 181 -1.456 -7.961 -3.307 1.00 0.13 O ATOM 136 CB ASP A 181 1.441 -8.285 -4.795 1.00 0.16 C ATOM 137 CG ASP A 181 2.165 -9.140 -5.815 1.00 0.23 C ATOM 138 OD1 ASP A 181 2.630 -8.592 -6.835 1.00 1.02 O ATOM 139 OD2 ASP A 181 2.284 -10.366 -5.594 1.00 0.82 O ATOM 0 H ASP A 181 0.909 -6.703 -6.635 1.00 0.11 H new ATOM 0 HA ASP A 181 -0.507 -8.867 -5.482 1.00 0.12 H new ATOM 0 HB2 ASP A 181 1.998 -7.360 -4.644 1.00 0.16 H new ATOM 0 HB3 ASP A 181 1.424 -8.807 -3.838 1.00 0.16 H new ATOM 144 N ILE A 182 -0.504 -6.001 -3.875 1.00 0.11 N ATOM 145 CA ILE A 182 -1.180 -5.253 -2.833 1.00 0.14 C ATOM 146 C ILE A 182 -2.673 -5.211 -3.108 1.00 0.13 C ATOM 147 O ILE A 182 -3.477 -5.406 -2.204 1.00 0.13 O ATOM 148 CB ILE A 182 -0.624 -3.818 -2.701 1.00 0.17 C ATOM 149 CG1 ILE A 182 0.812 -3.859 -2.185 1.00 0.17 C ATOM 150 CG2 ILE A 182 -1.494 -2.982 -1.774 1.00 0.26 C ATOM 151 CD1 ILE A 182 1.447 -2.496 -2.063 1.00 0.20 C ATOM 0 H ILE A 182 0.131 -5.448 -4.450 1.00 0.11 H new ATOM 0 HA ILE A 182 -0.998 -5.765 -1.888 1.00 0.14 H new ATOM 0 HB ILE A 182 -0.634 -3.353 -3.687 1.00 0.17 H new ATOM 0 HG12 ILE A 182 0.825 -4.346 -1.210 1.00 0.17 H new ATOM 0 HG13 ILE A 182 1.413 -4.472 -2.856 1.00 0.17 H new ATOM 0 HG21 ILE A 182 -1.082 -1.976 -1.697 1.00 0.26 H new ATOM 0 HG22 ILE A 182 -2.507 -2.930 -2.174 1.00 0.26 H new ATOM 0 HG23 ILE A 182 -1.518 -3.441 -0.785 1.00 0.26 H new ATOM 0 HD11 ILE A 182 2.466 -2.601 -1.691 1.00 0.20 H new ATOM 0 HD12 ILE A 182 1.466 -2.014 -3.041 1.00 0.20 H new ATOM 0 HD13 ILE A 182 0.869 -1.886 -1.369 1.00 0.20 H new ATOM 163 N GLU A 183 -3.042 -4.985 -4.365 1.00 0.14 N ATOM 164 CA GLU A 183 -4.443 -4.993 -4.760 1.00 0.15 C ATOM 165 C GLU A 183 -5.083 -6.339 -4.449 1.00 0.14 C ATOM 166 O GLU A 183 -6.240 -6.404 -4.050 1.00 0.14 O ATOM 167 CB GLU A 183 -4.576 -4.688 -6.254 1.00 0.18 C ATOM 168 CG GLU A 183 -6.011 -4.690 -6.755 1.00 0.27 C ATOM 169 CD GLU A 183 -6.098 -4.518 -8.255 1.00 0.34 C ATOM 170 OE1 GLU A 183 -5.727 -5.459 -8.986 1.00 1.09 O ATOM 171 OE2 GLU A 183 -6.534 -3.441 -8.711 1.00 1.06 O ATOM 0 H GLU A 183 -2.390 -4.794 -5.126 1.00 0.14 H new ATOM 0 HA GLU A 183 -4.961 -4.221 -4.191 1.00 0.15 H new ATOM 0 HB2 GLU A 183 -4.131 -3.714 -6.457 1.00 0.18 H new ATOM 0 HB3 GLU A 183 -4.003 -5.424 -6.818 1.00 0.18 H new ATOM 0 HG2 GLU A 183 -6.491 -5.627 -6.471 1.00 0.27 H new ATOM 0 HG3 GLU A 183 -6.564 -3.888 -6.267 1.00 0.27 H new ATOM 178 N ALA A 184 -4.320 -7.412 -4.618 1.00 0.13 N ATOM 179 CA ALA A 184 -4.815 -8.748 -4.331 1.00 0.13 C ATOM 180 C ALA A 184 -4.997 -8.935 -2.832 1.00 0.13 C ATOM 181 O ALA A 184 -5.949 -9.575 -2.380 1.00 0.13 O ATOM 182 CB ALA A 184 -3.865 -9.795 -4.891 1.00 0.15 C ATOM 0 H ALA A 184 -3.357 -7.381 -4.952 1.00 0.13 H new ATOM 0 HA ALA A 184 -5.785 -8.872 -4.812 1.00 0.13 H new ATOM 0 HB1 ALA A 184 -4.249 -10.791 -4.668 1.00 0.15 H new ATOM 0 HB2 ALA A 184 -3.782 -9.671 -5.971 1.00 0.15 H new ATOM 0 HB3 ALA A 184 -2.882 -9.675 -4.436 1.00 0.15 H new ATOM 188 N LEU A 185 -4.098 -8.337 -2.063 1.00 0.12 N ATOM 189 CA LEU A 185 -4.165 -8.416 -0.615 1.00 0.13 C ATOM 190 C LEU A 185 -5.383 -7.660 -0.112 1.00 0.11 C ATOM 191 O LEU A 185 -6.110 -8.141 0.750 1.00 0.12 O ATOM 192 CB LEU A 185 -2.899 -7.839 0.016 1.00 0.14 C ATOM 193 CG LEU A 185 -2.936 -7.714 1.540 1.00 0.15 C ATOM 194 CD1 LEU A 185 -3.108 -9.078 2.190 1.00 0.16 C ATOM 195 CD2 LEU A 185 -1.675 -7.036 2.040 1.00 0.18 C ATOM 0 H LEU A 185 -3.314 -7.792 -2.421 1.00 0.12 H new ATOM 0 HA LEU A 185 -4.247 -9.465 -0.329 1.00 0.13 H new ATOM 0 HB2 LEU A 185 -2.053 -8.468 -0.262 1.00 0.14 H new ATOM 0 HB3 LEU A 185 -2.716 -6.853 -0.410 1.00 0.14 H new ATOM 0 HG LEU A 185 -3.793 -7.100 1.816 1.00 0.15 H new ATOM 0 HD11 LEU A 185 -3.132 -8.964 3.274 1.00 0.16 H new ATOM 0 HD12 LEU A 185 -4.042 -9.527 1.852 1.00 0.16 H new ATOM 0 HD13 LEU A 185 -2.274 -9.722 1.911 1.00 0.16 H new ATOM 0 HD21 LEU A 185 -1.713 -6.953 3.126 1.00 0.18 H new ATOM 0 HD22 LEU A 185 -0.805 -7.627 1.752 1.00 0.18 H new ATOM 0 HD23 LEU A 185 -1.599 -6.041 1.602 1.00 0.18 H new ATOM 207 N LEU A 186 -5.606 -6.484 -0.675 1.00 0.11 N ATOM 208 CA LEU A 186 -6.748 -5.664 -0.313 1.00 0.10 C ATOM 209 C LEU A 186 -8.035 -6.267 -0.849 1.00 0.09 C ATOM 210 O LEU A 186 -9.106 -6.051 -0.296 1.00 0.08 O ATOM 211 CB LEU A 186 -6.575 -4.236 -0.832 1.00 0.10 C ATOM 212 CG LEU A 186 -5.776 -3.295 0.079 1.00 0.11 C ATOM 213 CD1 LEU A 186 -6.447 -3.184 1.434 1.00 0.09 C ATOM 214 CD2 LEU A 186 -4.343 -3.768 0.239 1.00 0.14 C ATOM 0 H LEU A 186 -5.005 -6.074 -1.390 1.00 0.11 H new ATOM 0 HA LEU A 186 -6.809 -5.632 0.775 1.00 0.10 H new ATOM 0 HB2 LEU A 186 -6.082 -4.278 -1.803 1.00 0.10 H new ATOM 0 HB3 LEU A 186 -7.563 -3.805 -0.994 1.00 0.10 H new ATOM 0 HG LEU A 186 -5.754 -2.311 -0.389 1.00 0.11 H new ATOM 0 HD11 LEU A 186 -5.871 -2.514 2.072 1.00 0.09 H new ATOM 0 HD12 LEU A 186 -7.455 -2.789 1.309 1.00 0.09 H new ATOM 0 HD13 LEU A 186 -6.498 -4.170 1.896 1.00 0.09 H new ATOM 0 HD21 LEU A 186 -3.803 -3.080 0.890 1.00 0.14 H new ATOM 0 HD22 LEU A 186 -4.336 -4.765 0.679 1.00 0.14 H new ATOM 0 HD23 LEU A 186 -3.859 -3.799 -0.737 1.00 0.14 H new ATOM 226 N LYS A 187 -7.920 -7.027 -1.924 1.00 0.11 N ATOM 227 CA LYS A 187 -9.066 -7.721 -2.485 1.00 0.12 C ATOM 228 C LYS A 187 -9.547 -8.784 -1.512 1.00 0.13 C ATOM 229 O LYS A 187 -10.745 -8.947 -1.300 1.00 0.14 O ATOM 230 CB LYS A 187 -8.715 -8.356 -3.830 1.00 0.15 C ATOM 231 CG LYS A 187 -9.913 -8.966 -4.538 1.00 0.22 C ATOM 232 CD LYS A 187 -9.523 -9.607 -5.862 1.00 0.29 C ATOM 233 CE LYS A 187 -8.599 -10.800 -5.662 1.00 0.78 C ATOM 234 NZ LYS A 187 -8.275 -11.476 -6.947 1.00 1.61 N ATOM 0 H LYS A 187 -7.045 -7.179 -2.426 1.00 0.11 H new ATOM 0 HA LYS A 187 -9.864 -6.997 -2.652 1.00 0.12 H new ATOM 0 HB2 LYS A 187 -8.267 -7.600 -4.475 1.00 0.15 H new ATOM 0 HB3 LYS A 187 -7.962 -9.129 -3.674 1.00 0.15 H new ATOM 0 HG2 LYS A 187 -10.373 -9.715 -3.893 1.00 0.22 H new ATOM 0 HG3 LYS A 187 -10.662 -8.194 -4.715 1.00 0.22 H new ATOM 0 HD2 LYS A 187 -10.422 -9.928 -6.389 1.00 0.29 H new ATOM 0 HD3 LYS A 187 -9.030 -8.867 -6.493 1.00 0.29 H new ATOM 0 HE2 LYS A 187 -7.677 -10.468 -5.184 1.00 0.78 H new ATOM 0 HE3 LYS A 187 -9.070 -11.514 -4.986 1.00 0.78 H new ATOM 0 HZ1 LYS A 187 -7.644 -12.282 -6.766 1.00 1.61 H new ATOM 0 HZ2 LYS A 187 -9.152 -11.816 -7.391 1.00 1.61 H new ATOM 0 HZ3 LYS A 187 -7.803 -10.803 -7.584 1.00 1.61 H new ATOM 248 N ASN A 188 -8.601 -9.504 -0.926 1.00 0.16 N ATOM 249 CA ASN A 188 -8.914 -10.482 0.107 1.00 0.20 C ATOM 250 C ASN A 188 -9.338 -9.793 1.395 1.00 0.19 C ATOM 251 O ASN A 188 -10.233 -10.255 2.094 1.00 0.24 O ATOM 252 CB ASN A 188 -7.711 -11.389 0.373 1.00 0.25 C ATOM 253 CG ASN A 188 -7.523 -12.441 -0.701 1.00 0.75 C ATOM 254 OD1 ASN A 188 -8.080 -13.533 -0.619 1.00 0.75 O ATOM 255 ND2 ASN A 188 -6.737 -12.121 -1.712 1.00 1.37 N ATOM 0 H ASN A 188 -7.608 -9.429 -1.149 1.00 0.16 H new ATOM 0 HA ASN A 188 -9.743 -11.092 -0.251 1.00 0.20 H new ATOM 0 HB2 ASN A 188 -6.810 -10.780 0.441 1.00 0.25 H new ATOM 0 HB3 ASN A 188 -7.837 -11.880 1.338 1.00 0.25 H new ATOM 0 HD21 ASN A 188 -6.573 -12.792 -2.463 1.00 1.37 H new ATOM 0 HD22 ASN A 188 -6.293 -11.203 -1.742 1.00 1.37 H new ATOM 262 N ASN A 189 -8.693 -8.678 1.694 1.00 0.14 N ATOM 263 CA ASN A 189 -8.987 -7.901 2.892 1.00 0.14 C ATOM 264 C ASN A 189 -10.408 -7.348 2.838 1.00 0.13 C ATOM 265 O ASN A 189 -11.095 -7.240 3.853 1.00 0.17 O ATOM 266 CB ASN A 189 -7.984 -6.756 3.010 1.00 0.13 C ATOM 267 CG ASN A 189 -8.093 -6.001 4.317 1.00 0.18 C ATOM 268 OD1 ASN A 189 -8.840 -5.030 4.427 1.00 0.21 O ATOM 269 ND2 ASN A 189 -7.339 -6.433 5.314 1.00 0.23 N ATOM 0 H ASN A 189 -7.951 -8.284 1.115 1.00 0.14 H new ATOM 0 HA ASN A 189 -8.906 -8.549 3.764 1.00 0.14 H new ATOM 0 HB2 ASN A 189 -6.974 -7.154 2.911 1.00 0.13 H new ATOM 0 HB3 ASN A 189 -8.135 -6.062 2.183 1.00 0.13 H new ATOM 0 HD21 ASN A 189 -7.364 -5.957 6.216 1.00 0.23 H new ATOM 0 HD22 ASN A 189 -6.733 -7.243 5.181 1.00 0.23 H new ATOM 276 N PHE A 190 -10.844 -7.022 1.632 1.00 0.11 N ATOM 277 CA PHE A 190 -12.157 -6.455 1.401 1.00 0.10 C ATOM 278 C PHE A 190 -13.001 -7.389 0.546 1.00 0.11 C ATOM 279 O PHE A 190 -13.702 -6.923 -0.346 1.00 0.12 O ATOM 280 CB PHE A 190 -12.054 -5.083 0.736 1.00 0.09 C ATOM 281 CG PHE A 190 -11.572 -3.994 1.652 1.00 0.10 C ATOM 282 CD1 PHE A 190 -12.428 -3.439 2.590 1.00 1.17 C ATOM 283 CD2 PHE A 190 -10.271 -3.522 1.575 1.00 1.18 C ATOM 284 CE1 PHE A 190 -11.996 -2.435 3.435 1.00 1.18 C ATOM 285 CE2 PHE A 190 -9.836 -2.516 2.417 1.00 1.18 C ATOM 286 CZ PHE A 190 -10.699 -1.973 3.348 1.00 0.14 C ATOM 0 H PHE A 190 -10.292 -7.145 0.783 1.00 0.11 H new ATOM 0 HA PHE A 190 -12.642 -6.331 2.369 1.00 0.10 H new ATOM 0 HB2 PHE A 190 -11.377 -5.153 -0.115 1.00 0.09 H new ATOM 0 HB3 PHE A 190 -13.033 -4.807 0.343 1.00 0.09 H new ATOM 0 HD1 PHE A 190 -13.445 -3.796 2.661 1.00 1.17 H new ATOM 0 HD2 PHE A 190 -9.591 -3.944 0.850 1.00 1.18 H new ATOM 0 HE1 PHE A 190 -12.673 -2.012 4.163 1.00 1.18 H new ATOM 0 HE2 PHE A 190 -8.821 -2.155 2.347 1.00 1.18 H new ATOM 0 HZ PHE A 190 -10.359 -1.188 4.007 1.00 0.14 H new ATOM 296 N GLU A 191 -12.757 -8.700 0.713 1.00 0.14 N ATOM 297 CA GLU A 191 -13.602 -9.822 0.201 1.00 0.21 C ATOM 298 C GLU A 191 -15.139 -9.618 0.289 1.00 0.21 C ATOM 299 O GLU A 191 -15.885 -10.544 0.616 1.00 0.22 O ATOM 300 CB GLU A 191 -13.228 -11.113 0.932 1.00 0.30 C ATOM 301 CG GLU A 191 -13.323 -11.015 2.447 1.00 0.38 C ATOM 302 CD GLU A 191 -13.039 -12.336 3.131 1.00 0.84 C ATOM 303 OE1 GLU A 191 -11.857 -12.639 3.387 1.00 1.40 O ATOM 304 OE2 GLU A 191 -14.000 -13.085 3.411 1.00 1.74 O ATOM 0 H GLU A 191 -11.940 -9.032 1.225 1.00 0.14 H new ATOM 0 HA GLU A 191 -13.383 -9.868 -0.866 1.00 0.21 H new ATOM 0 HB2 GLU A 191 -13.881 -11.915 0.588 1.00 0.30 H new ATOM 0 HB3 GLU A 191 -12.210 -11.391 0.659 1.00 0.30 H new ATOM 0 HG2 GLU A 191 -12.618 -10.265 2.805 1.00 0.38 H new ATOM 0 HG3 GLU A 191 -14.320 -10.673 2.724 1.00 0.38 H new ATOM 311 N ASN A 192 -15.582 -8.424 -0.025 1.00 0.31 N ATOM 312 CA ASN A 192 -16.981 -8.038 0.021 1.00 0.44 C ATOM 313 C ASN A 192 -17.154 -6.680 -0.639 1.00 0.57 C ATOM 314 O ASN A 192 -18.070 -6.465 -1.433 1.00 1.09 O ATOM 315 CB ASN A 192 -17.475 -7.986 1.468 1.00 0.47 C ATOM 316 CG ASN A 192 -18.927 -7.562 1.575 1.00 0.61 C ATOM 317 OD1 ASN A 192 -19.834 -8.389 1.475 1.00 0.69 O ATOM 318 ND2 ASN A 192 -19.160 -6.278 1.796 1.00 1.16 N ATOM 0 H ASN A 192 -14.966 -7.670 -0.329 1.00 0.31 H new ATOM 0 HA ASN A 192 -17.571 -8.780 -0.517 1.00 0.44 H new ATOM 0 HB2 ASN A 192 -17.353 -8.968 1.925 1.00 0.47 H new ATOM 0 HB3 ASN A 192 -16.855 -7.291 2.035 1.00 0.47 H new ATOM 0 HD21 ASN A 192 -20.119 -5.942 1.890 1.00 1.16 H new ATOM 0 HD22 ASN A 192 -18.381 -5.624 1.873 1.00 1.16 H new ATOM 325 N ASP A 193 -16.250 -5.772 -0.308 1.00 0.20 N ATOM 326 CA ASP A 193 -16.277 -4.424 -0.844 1.00 0.24 C ATOM 327 C ASP A 193 -15.150 -4.218 -1.847 1.00 0.19 C ATOM 328 O ASP A 193 -14.075 -3.719 -1.506 1.00 0.16 O ATOM 329 CB ASP A 193 -16.153 -3.404 0.288 1.00 0.33 C ATOM 330 CG ASP A 193 -17.304 -3.472 1.266 1.00 0.84 C ATOM 331 OD1 ASP A 193 -17.247 -4.299 2.200 1.00 1.27 O ATOM 332 OD2 ASP A 193 -18.272 -2.700 1.107 1.00 1.78 O ATOM 0 H ASP A 193 -15.480 -5.949 0.337 1.00 0.20 H new ATOM 0 HA ASP A 193 -17.229 -4.281 -1.355 1.00 0.24 H new ATOM 0 HB2 ASP A 193 -15.218 -3.573 0.822 1.00 0.33 H new ATOM 0 HB3 ASP A 193 -16.101 -2.401 -0.136 1.00 0.33 H new ATOM 337 N GLN A 194 -15.398 -4.598 -3.088 1.00 0.21 N ATOM 338 CA GLN A 194 -14.417 -4.419 -4.148 1.00 0.21 C ATOM 339 C GLN A 194 -14.231 -2.934 -4.420 1.00 0.21 C ATOM 340 O GLN A 194 -13.139 -2.478 -4.751 1.00 0.24 O ATOM 341 CB GLN A 194 -14.862 -5.144 -5.416 1.00 0.26 C ATOM 342 CG GLN A 194 -15.116 -6.630 -5.214 1.00 0.26 C ATOM 343 CD GLN A 194 -13.886 -7.384 -4.737 1.00 0.25 C ATOM 344 OE1 GLN A 194 -13.086 -7.862 -5.542 1.00 0.44 O ATOM 345 NE2 GLN A 194 -13.734 -7.511 -3.425 1.00 0.35 N ATOM 0 H GLN A 194 -16.270 -5.033 -3.388 1.00 0.21 H new ATOM 0 HA GLN A 194 -13.466 -4.846 -3.831 1.00 0.21 H new ATOM 0 HB2 GLN A 194 -15.773 -4.676 -5.791 1.00 0.26 H new ATOM 0 HB3 GLN A 194 -14.099 -5.016 -6.184 1.00 0.26 H new ATOM 0 HG2 GLN A 194 -15.919 -6.760 -4.489 1.00 0.26 H new ATOM 0 HG3 GLN A 194 -15.461 -7.065 -6.152 1.00 0.26 H new ATOM 0 HE21 GLN A 194 -14.419 -7.101 -2.790 1.00 0.35 H new ATOM 0 HE22 GLN A 194 -12.932 -8.019 -3.051 1.00 0.35 H new ATOM 354 N ALA A 195 -15.322 -2.193 -4.275 1.00 0.25 N ATOM 355 CA ALA A 195 -15.288 -0.737 -4.339 1.00 0.25 C ATOM 356 C ALA A 195 -14.316 -0.168 -3.312 1.00 0.20 C ATOM 357 O ALA A 195 -13.684 0.866 -3.538 1.00 0.19 O ATOM 358 CB ALA A 195 -16.679 -0.172 -4.117 1.00 0.32 C ATOM 0 H ALA A 195 -16.251 -2.581 -4.111 1.00 0.25 H new ATOM 0 HA ALA A 195 -14.941 -0.446 -5.331 1.00 0.25 H new ATOM 0 HB1 ALA A 195 -16.642 0.916 -4.167 1.00 0.32 H new ATOM 0 HB2 ALA A 195 -17.352 -0.548 -4.888 1.00 0.32 H new ATOM 0 HB3 ALA A 195 -17.044 -0.478 -3.137 1.00 0.32 H new ATOM 364 N ALA A 196 -14.176 -0.864 -2.193 1.00 0.17 N ATOM 365 CA ALA A 196 -13.261 -0.437 -1.151 1.00 0.15 C ATOM 366 C ALA A 196 -11.843 -0.772 -1.558 1.00 0.10 C ATOM 367 O ALA A 196 -10.926 0.003 -1.312 1.00 0.08 O ATOM 368 CB ALA A 196 -13.607 -1.087 0.175 1.00 0.18 C ATOM 0 H ALA A 196 -14.684 -1.724 -1.986 1.00 0.17 H new ATOM 0 HA ALA A 196 -13.351 0.642 -1.022 1.00 0.15 H new ATOM 0 HB1 ALA A 196 -12.906 -0.750 0.939 1.00 0.18 H new ATOM 0 HB2 ALA A 196 -14.620 -0.808 0.464 1.00 0.18 H new ATOM 0 HB3 ALA A 196 -13.543 -2.171 0.077 1.00 0.18 H new ATOM 374 N VAL A 197 -11.675 -1.924 -2.202 1.00 0.11 N ATOM 375 CA VAL A 197 -10.382 -2.309 -2.763 1.00 0.10 C ATOM 376 C VAL A 197 -9.892 -1.230 -3.724 1.00 0.11 C ATOM 377 O VAL A 197 -8.725 -0.833 -3.700 1.00 0.11 O ATOM 378 CB VAL A 197 -10.465 -3.652 -3.520 1.00 0.12 C ATOM 379 CG1 VAL A 197 -9.093 -4.072 -4.030 1.00 0.14 C ATOM 380 CG2 VAL A 197 -11.059 -4.733 -2.636 1.00 0.11 C ATOM 0 H VAL A 197 -12.418 -2.608 -2.349 1.00 0.11 H new ATOM 0 HA VAL A 197 -9.685 -2.423 -1.932 1.00 0.10 H new ATOM 0 HB VAL A 197 -11.121 -3.514 -4.379 1.00 0.12 H new ATOM 0 HG11 VAL A 197 -9.177 -5.021 -4.560 1.00 0.14 H new ATOM 0 HG12 VAL A 197 -8.708 -3.310 -4.708 1.00 0.14 H new ATOM 0 HG13 VAL A 197 -8.411 -4.186 -3.187 1.00 0.14 H new ATOM 0 HG21 VAL A 197 -11.108 -5.670 -3.190 1.00 0.11 H new ATOM 0 HG22 VAL A 197 -10.433 -4.866 -1.753 1.00 0.11 H new ATOM 0 HG23 VAL A 197 -12.063 -4.441 -2.329 1.00 0.11 H new ATOM 390 N ARG A 198 -10.806 -0.744 -4.551 1.00 0.12 N ATOM 391 CA ARG A 198 -10.498 0.319 -5.496 1.00 0.14 C ATOM 392 C ARG A 198 -10.034 1.558 -4.751 1.00 0.13 C ATOM 393 O ARG A 198 -8.952 2.080 -5.006 1.00 0.14 O ATOM 394 CB ARG A 198 -11.728 0.672 -6.331 1.00 0.19 C ATOM 395 CG ARG A 198 -12.316 -0.494 -7.100 1.00 0.24 C ATOM 396 CD ARG A 198 -13.537 -0.061 -7.890 1.00 0.35 C ATOM 397 NE ARG A 198 -14.206 -1.189 -8.528 1.00 1.12 N ATOM 398 CZ ARG A 198 -15.463 -1.162 -8.962 1.00 1.48 C ATOM 399 NH1 ARG A 198 -16.189 -0.055 -8.845 1.00 1.02 N ATOM 400 NH2 ARG A 198 -15.991 -2.242 -9.518 1.00 2.36 N ATOM 0 H ARG A 198 -11.772 -1.071 -4.586 1.00 0.12 H new ATOM 0 HA ARG A 198 -9.706 -0.034 -6.157 1.00 0.14 H new ATOM 0 HB2 ARG A 198 -12.494 1.081 -5.673 1.00 0.19 H new ATOM 0 HB3 ARG A 198 -11.460 1.459 -7.036 1.00 0.19 H new ATOM 0 HG2 ARG A 198 -11.566 -0.903 -7.777 1.00 0.24 H new ATOM 0 HG3 ARG A 198 -12.589 -1.290 -6.408 1.00 0.24 H new ATOM 0 HD2 ARG A 198 -14.237 0.446 -7.226 1.00 0.35 H new ATOM 0 HD3 ARG A 198 -13.239 0.661 -8.651 1.00 0.35 H new ATOM 0 HE ARG A 198 -13.677 -2.053 -8.649 1.00 1.12 H new ATOM 0 HH11 ARG A 198 -15.783 0.779 -8.421 1.00 1.02 H new ATOM 0 HH12 ARG A 198 -17.153 -0.039 -9.179 1.00 1.02 H new ATOM 0 HH21 ARG A 198 -15.434 -3.091 -9.612 1.00 2.36 H new ATOM 0 HH22 ARG A 198 -16.955 -2.224 -9.852 1.00 2.36 H new ATOM 414 N GLN A 199 -10.855 2.003 -3.807 1.00 0.13 N ATOM 415 CA GLN A 199 -10.594 3.235 -3.077 1.00 0.13 C ATOM 416 C GLN A 199 -9.279 3.181 -2.310 1.00 0.12 C ATOM 417 O GLN A 199 -8.535 4.167 -2.276 1.00 0.12 O ATOM 418 CB GLN A 199 -11.740 3.528 -2.117 1.00 0.14 C ATOM 419 CG GLN A 199 -13.049 3.837 -2.815 1.00 0.17 C ATOM 420 CD GLN A 199 -14.180 4.094 -1.844 1.00 0.23 C ATOM 421 OE1 GLN A 199 -14.400 5.228 -1.415 1.00 0.29 O ATOM 422 NE2 GLN A 199 -14.911 3.047 -1.504 1.00 0.25 N ATOM 0 H GLN A 199 -11.712 1.525 -3.529 1.00 0.13 H new ATOM 0 HA GLN A 199 -10.515 4.036 -3.812 1.00 0.13 H new ATOM 0 HB2 GLN A 199 -11.881 2.670 -1.460 1.00 0.14 H new ATOM 0 HB3 GLN A 199 -11.467 4.372 -1.484 1.00 0.14 H new ATOM 0 HG2 GLN A 199 -12.918 4.710 -3.454 1.00 0.17 H new ATOM 0 HG3 GLN A 199 -13.315 3.003 -3.465 1.00 0.17 H new ATOM 0 HE21 GLN A 199 -14.691 2.126 -1.885 1.00 0.25 H new ATOM 0 HE22 GLN A 199 -15.695 3.159 -0.861 1.00 0.25 H new ATOM 431 N VAL A 200 -8.972 2.030 -1.724 1.00 0.12 N ATOM 432 CA VAL A 200 -7.776 1.913 -0.909 1.00 0.12 C ATOM 433 C VAL A 200 -6.540 1.900 -1.795 1.00 0.12 C ATOM 434 O VAL A 200 -5.543 2.540 -1.482 1.00 0.12 O ATOM 435 CB VAL A 200 -7.779 0.667 0.013 1.00 0.14 C ATOM 436 CG1 VAL A 200 -8.949 0.712 0.976 1.00 0.16 C ATOM 437 CG2 VAL A 200 -7.809 -0.621 -0.789 1.00 0.14 C ATOM 0 H VAL A 200 -9.527 1.178 -1.798 1.00 0.12 H new ATOM 0 HA VAL A 200 -7.761 2.785 -0.255 1.00 0.12 H new ATOM 0 HB VAL A 200 -6.852 0.685 0.586 1.00 0.14 H new ATOM 0 HG11 VAL A 200 -8.930 -0.172 1.613 1.00 0.16 H new ATOM 0 HG12 VAL A 200 -8.877 1.606 1.595 1.00 0.16 H new ATOM 0 HG13 VAL A 200 -9.882 0.735 0.414 1.00 0.16 H new ATOM 0 HG21 VAL A 200 -7.810 -1.473 -0.109 1.00 0.14 H new ATOM 0 HG22 VAL A 200 -8.709 -0.646 -1.404 1.00 0.14 H new ATOM 0 HG23 VAL A 200 -6.930 -0.670 -1.431 1.00 0.14 H new ATOM 447 N MET A 201 -6.627 1.210 -2.929 1.00 0.13 N ATOM 448 CA MET A 201 -5.502 1.115 -3.845 1.00 0.15 C ATOM 449 C MET A 201 -5.234 2.448 -4.523 1.00 0.12 C ATOM 450 O MET A 201 -4.082 2.828 -4.725 1.00 0.13 O ATOM 451 CB MET A 201 -5.751 0.037 -4.900 1.00 0.20 C ATOM 452 CG MET A 201 -5.720 -1.374 -4.344 1.00 1.01 C ATOM 453 SD MET A 201 -4.183 -1.740 -3.475 1.00 1.58 S ATOM 454 CE MET A 201 -2.976 -1.442 -4.765 1.00 1.20 C ATOM 0 H MET A 201 -7.463 0.711 -3.232 1.00 0.13 H new ATOM 0 HA MET A 201 -4.624 0.841 -3.260 1.00 0.15 H new ATOM 0 HB2 MET A 201 -6.720 0.214 -5.367 1.00 0.20 H new ATOM 0 HB3 MET A 201 -4.999 0.127 -5.684 1.00 0.20 H new ATOM 0 HG2 MET A 201 -6.560 -1.511 -3.663 1.00 1.01 H new ATOM 0 HG3 MET A 201 -5.851 -2.085 -5.159 1.00 1.01 H new ATOM 0 HE1 MET A 201 -2.068 -2.006 -4.551 1.00 1.20 H new ATOM 0 HE2 MET A 201 -3.383 -1.760 -5.725 1.00 1.20 H new ATOM 0 HE3 MET A 201 -2.741 -0.378 -4.805 1.00 1.20 H new ATOM 464 N GLU A 202 -6.295 3.171 -4.844 1.00 0.11 N ATOM 465 CA GLU A 202 -6.165 4.442 -5.540 1.00 0.11 C ATOM 466 C GLU A 202 -5.672 5.524 -4.593 1.00 0.10 C ATOM 467 O GLU A 202 -4.990 6.463 -5.008 1.00 0.10 O ATOM 468 CB GLU A 202 -7.497 4.850 -6.166 1.00 0.12 C ATOM 469 CG GLU A 202 -7.915 3.960 -7.324 1.00 0.14 C ATOM 470 CD GLU A 202 -9.251 4.358 -7.914 1.00 0.19 C ATOM 471 OE1 GLU A 202 -9.335 5.439 -8.533 1.00 0.99 O ATOM 472 OE2 GLU A 202 -10.230 3.599 -7.753 1.00 1.07 O ATOM 0 H GLU A 202 -7.256 2.900 -4.634 1.00 0.11 H new ATOM 0 HA GLU A 202 -5.431 4.321 -6.337 1.00 0.11 H new ATOM 0 HB2 GLU A 202 -8.273 4.826 -5.400 1.00 0.12 H new ATOM 0 HB3 GLU A 202 -7.426 5.880 -6.516 1.00 0.12 H new ATOM 0 HG2 GLU A 202 -7.152 4.001 -8.102 1.00 0.14 H new ATOM 0 HG3 GLU A 202 -7.967 2.926 -6.982 1.00 0.14 H new ATOM 479 N ARG A 203 -5.994 5.377 -3.315 1.00 0.09 N ATOM 480 CA ARG A 203 -5.555 6.337 -2.314 1.00 0.08 C ATOM 481 C ARG A 203 -4.107 6.050 -1.923 1.00 0.08 C ATOM 482 O ARG A 203 -3.340 6.966 -1.649 1.00 0.08 O ATOM 483 CB ARG A 203 -6.482 6.307 -1.095 1.00 0.10 C ATOM 484 CG ARG A 203 -6.049 7.229 0.033 1.00 0.21 C ATOM 485 CD ARG A 203 -7.143 7.373 1.078 1.00 0.14 C ATOM 486 NE ARG A 203 -6.635 7.897 2.346 1.00 0.48 N ATOM 487 CZ ARG A 203 -7.410 8.287 3.357 1.00 0.40 C ATOM 488 NH1 ARG A 203 -8.725 8.394 3.196 1.00 0.60 N ATOM 489 NH2 ARG A 203 -6.858 8.616 4.517 1.00 0.79 N ATOM 0 H ARG A 203 -6.554 4.607 -2.949 1.00 0.09 H new ATOM 0 HA ARG A 203 -5.603 7.341 -2.735 1.00 0.08 H new ATOM 0 HB2 ARG A 203 -7.489 6.583 -1.410 1.00 0.10 H new ATOM 0 HB3 ARG A 203 -6.535 5.286 -0.716 1.00 0.10 H new ATOM 0 HG2 ARG A 203 -5.146 6.836 0.500 1.00 0.21 H new ATOM 0 HG3 ARG A 203 -5.798 8.210 -0.372 1.00 0.21 H new ATOM 0 HD2 ARG A 203 -7.920 8.037 0.698 1.00 0.14 H new ATOM 0 HD3 ARG A 203 -7.609 6.402 1.249 1.00 0.14 H new ATOM 0 HE ARG A 203 -5.624 7.968 2.463 1.00 0.48 H new ATOM 0 HH11 ARG A 203 -9.148 8.177 2.293 1.00 0.60 H new ATOM 0 HH12 ARG A 203 -9.312 8.693 3.975 1.00 0.60 H new ATOM 0 HH21 ARG A 203 -5.845 8.570 4.631 1.00 0.79 H new ATOM 0 HH22 ARG A 203 -7.446 8.915 5.295 1.00 0.79 H new ATOM 503 N LEU A 204 -3.745 4.772 -1.903 1.00 0.08 N ATOM 504 CA LEU A 204 -2.354 4.371 -1.704 1.00 0.08 C ATOM 505 C LEU A 204 -1.467 4.855 -2.851 1.00 0.08 C ATOM 506 O LEU A 204 -0.355 5.318 -2.624 1.00 0.08 O ATOM 507 CB LEU A 204 -2.242 2.850 -1.572 1.00 0.08 C ATOM 508 CG LEU A 204 -2.753 2.261 -0.255 1.00 0.08 C ATOM 509 CD1 LEU A 204 -2.821 0.745 -0.340 1.00 0.09 C ATOM 510 CD2 LEU A 204 -1.856 2.683 0.897 1.00 0.09 C ATOM 0 H LEU A 204 -4.394 3.995 -2.022 1.00 0.08 H new ATOM 0 HA LEU A 204 -2.009 4.836 -0.780 1.00 0.08 H new ATOM 0 HB2 LEU A 204 -2.793 2.391 -2.393 1.00 0.08 H new ATOM 0 HB3 LEU A 204 -1.196 2.569 -1.693 1.00 0.08 H new ATOM 0 HG LEU A 204 -3.757 2.644 -0.074 1.00 0.08 H new ATOM 0 HD11 LEU A 204 -3.186 0.344 0.605 1.00 0.09 H new ATOM 0 HD12 LEU A 204 -3.499 0.456 -1.143 1.00 0.09 H new ATOM 0 HD13 LEU A 204 -1.827 0.347 -0.543 1.00 0.09 H new ATOM 0 HD21 LEU A 204 -2.233 2.256 1.827 1.00 0.09 H new ATOM 0 HD22 LEU A 204 -0.842 2.326 0.718 1.00 0.09 H new ATOM 0 HD23 LEU A 204 -1.849 3.770 0.974 1.00 0.09 H new ATOM 522 N GLN A 205 -1.965 4.748 -4.081 1.00 0.10 N ATOM 523 CA GLN A 205 -1.208 5.185 -5.257 1.00 0.12 C ATOM 524 C GLN A 205 -1.051 6.701 -5.274 1.00 0.11 C ATOM 525 O GLN A 205 0.053 7.228 -5.466 1.00 0.13 O ATOM 526 CB GLN A 205 -1.886 4.719 -6.545 1.00 0.17 C ATOM 527 CG GLN A 205 -1.796 3.223 -6.771 1.00 0.65 C ATOM 528 CD GLN A 205 -2.518 2.773 -8.028 1.00 0.76 C ATOM 529 OE1 GLN A 205 -2.634 3.524 -8.997 1.00 1.30 O ATOM 530 NE2 GLN A 205 -3.004 1.543 -8.021 1.00 0.81 N ATOM 0 H GLN A 205 -2.886 4.364 -4.291 1.00 0.10 H new ATOM 0 HA GLN A 205 -0.218 4.733 -5.198 1.00 0.12 H new ATOM 0 HB2 GLN A 205 -2.936 5.012 -6.520 1.00 0.17 H new ATOM 0 HB3 GLN A 205 -1.432 5.234 -7.392 1.00 0.17 H new ATOM 0 HG2 GLN A 205 -0.747 2.933 -6.836 1.00 0.65 H new ATOM 0 HG3 GLN A 205 -2.218 2.704 -5.910 1.00 0.65 H new ATOM 0 HE21 GLN A 205 -2.886 0.953 -7.197 1.00 0.81 H new ATOM 0 HE22 GLN A 205 -3.496 1.185 -8.839 1.00 0.81 H new ATOM 539 N LYS A 206 -2.159 7.400 -5.068 1.00 0.10 N ATOM 540 CA LYS A 206 -2.146 8.851 -5.016 1.00 0.11 C ATOM 541 C LYS A 206 -1.229 9.315 -3.897 1.00 0.09 C ATOM 542 O LYS A 206 -0.379 10.183 -4.088 1.00 0.09 O ATOM 543 CB LYS A 206 -3.564 9.380 -4.798 1.00 0.14 C ATOM 544 CG LYS A 206 -3.643 10.890 -4.673 1.00 0.20 C ATOM 545 CD LYS A 206 -5.078 11.357 -4.502 1.00 0.32 C ATOM 546 CE LYS A 206 -5.159 12.868 -4.376 1.00 0.92 C ATOM 547 NZ LYS A 206 -6.561 13.344 -4.233 1.00 1.53 N ATOM 0 H LYS A 206 -3.080 6.982 -4.934 1.00 0.10 H new ATOM 0 HA LYS A 206 -1.772 9.242 -5.963 1.00 0.11 H new ATOM 0 HB2 LYS A 206 -4.193 9.060 -5.629 1.00 0.14 H new ATOM 0 HB3 LYS A 206 -3.975 8.928 -3.895 1.00 0.14 H new ATOM 0 HG2 LYS A 206 -3.048 11.218 -3.821 1.00 0.20 H new ATOM 0 HG3 LYS A 206 -3.211 11.353 -5.560 1.00 0.20 H new ATOM 0 HD2 LYS A 206 -5.673 11.029 -5.355 1.00 0.32 H new ATOM 0 HD3 LYS A 206 -5.510 10.893 -3.615 1.00 0.32 H new ATOM 0 HE2 LYS A 206 -4.577 13.191 -3.513 1.00 0.92 H new ATOM 0 HE3 LYS A 206 -4.708 13.329 -5.255 1.00 0.92 H new ATOM 0 HZ1 LYS A 206 -6.569 14.381 -4.150 1.00 1.53 H new ATOM 0 HZ2 LYS A 206 -7.111 13.059 -5.068 1.00 1.53 H new ATOM 0 HZ3 LYS A 206 -6.984 12.925 -3.380 1.00 1.53 H new ATOM 561 N GLY A 207 -1.408 8.715 -2.733 1.00 0.10 N ATOM 562 CA GLY A 207 -0.569 9.012 -1.598 1.00 0.10 C ATOM 563 C GLY A 207 0.896 8.747 -1.860 1.00 0.09 C ATOM 564 O GLY A 207 1.745 9.511 -1.427 1.00 0.10 O ATOM 0 H GLY A 207 -2.131 8.018 -2.554 1.00 0.10 H new ATOM 0 HA2 GLY A 207 -0.699 10.058 -1.321 1.00 0.10 H new ATOM 0 HA3 GLY A 207 -0.894 8.414 -0.747 1.00 0.10 H new ATOM 568 N TRP A 208 1.196 7.666 -2.559 1.00 0.08 N ATOM 569 CA TRP A 208 2.570 7.357 -2.932 1.00 0.08 C ATOM 570 C TRP A 208 3.151 8.486 -3.780 1.00 0.09 C ATOM 571 O TRP A 208 4.333 8.815 -3.674 1.00 0.12 O ATOM 572 CB TRP A 208 2.632 6.031 -3.697 1.00 0.09 C ATOM 573 CG TRP A 208 4.022 5.620 -4.073 1.00 0.09 C ATOM 574 CD1 TRP A 208 4.632 5.798 -5.280 1.00 0.10 C ATOM 575 CD2 TRP A 208 4.977 4.960 -3.237 1.00 0.10 C ATOM 576 NE1 TRP A 208 5.909 5.298 -5.243 1.00 0.12 N ATOM 577 CE2 TRP A 208 6.145 4.776 -4.001 1.00 0.12 C ATOM 578 CE3 TRP A 208 4.960 4.512 -1.916 1.00 0.12 C ATOM 579 CZ2 TRP A 208 7.283 4.163 -3.487 1.00 0.15 C ATOM 580 CZ3 TRP A 208 6.089 3.902 -1.407 1.00 0.14 C ATOM 581 CH2 TRP A 208 7.237 3.734 -2.191 1.00 0.16 C ATOM 0 H TRP A 208 0.508 6.986 -2.881 1.00 0.08 H new ATOM 0 HA TRP A 208 3.164 7.259 -2.023 1.00 0.08 H new ATOM 0 HB2 TRP A 208 2.183 5.248 -3.086 1.00 0.09 H new ATOM 0 HB3 TRP A 208 2.030 6.115 -4.602 1.00 0.09 H new ATOM 0 HD1 TRP A 208 4.176 6.265 -6.140 1.00 0.10 H new ATOM 0 HE1 TRP A 208 6.574 5.313 -6.016 1.00 0.12 H new ATOM 0 HE3 TRP A 208 4.080 4.640 -1.303 1.00 0.12 H new ATOM 0 HZ2 TRP A 208 8.169 4.031 -4.090 1.00 0.15 H new ATOM 0 HZ3 TRP A 208 6.087 3.548 -0.387 1.00 0.14 H new ATOM 0 HH2 TRP A 208 8.105 3.255 -1.762 1.00 0.16 H new ATOM 592 N SER A 209 2.305 9.075 -4.610 1.00 0.10 N ATOM 593 CA SER A 209 2.704 10.192 -5.456 1.00 0.12 C ATOM 594 C SER A 209 2.831 11.489 -4.646 1.00 0.13 C ATOM 595 O SER A 209 3.592 12.388 -5.002 1.00 0.17 O ATOM 596 CB SER A 209 1.679 10.367 -6.575 1.00 0.15 C ATOM 597 OG SER A 209 1.491 9.147 -7.278 1.00 1.18 O ATOM 0 H SER A 209 1.330 8.796 -4.717 1.00 0.10 H new ATOM 0 HA SER A 209 3.683 9.973 -5.883 1.00 0.12 H new ATOM 0 HB2 SER A 209 0.730 10.702 -6.157 1.00 0.15 H new ATOM 0 HB3 SER A 209 2.014 11.142 -7.264 1.00 0.15 H new ATOM 0 HG SER A 209 0.996 8.517 -6.714 1.00 1.18 H new ATOM 603 N LEU A 210 2.097 11.569 -3.546 1.00 0.11 N ATOM 604 CA LEU A 210 2.093 12.770 -2.716 1.00 0.11 C ATOM 605 C LEU A 210 3.240 12.755 -1.710 1.00 0.12 C ATOM 606 O LEU A 210 3.852 13.786 -1.435 1.00 0.13 O ATOM 607 CB LEU A 210 0.765 12.895 -1.970 1.00 0.11 C ATOM 608 CG LEU A 210 -0.481 12.988 -2.852 1.00 0.12 C ATOM 609 CD1 LEU A 210 -1.733 13.036 -1.994 1.00 0.12 C ATOM 610 CD2 LEU A 210 -0.410 14.208 -3.756 1.00 0.16 C ATOM 0 H LEU A 210 1.496 10.818 -3.206 1.00 0.11 H new ATOM 0 HA LEU A 210 2.224 13.627 -3.377 1.00 0.11 H new ATOM 0 HB2 LEU A 210 0.657 12.035 -1.309 1.00 0.11 H new ATOM 0 HB3 LEU A 210 0.807 13.781 -1.336 1.00 0.11 H new ATOM 0 HG LEU A 210 -0.523 12.099 -3.481 1.00 0.12 H new ATOM 0 HD11 LEU A 210 -2.612 13.102 -2.636 1.00 0.12 H new ATOM 0 HD12 LEU A 210 -1.794 12.132 -1.388 1.00 0.12 H new ATOM 0 HD13 LEU A 210 -1.694 13.908 -1.342 1.00 0.12 H new ATOM 0 HD21 LEU A 210 -1.306 14.255 -4.375 1.00 0.16 H new ATOM 0 HD22 LEU A 210 -0.342 15.109 -3.146 1.00 0.16 H new ATOM 0 HD23 LEU A 210 0.469 14.136 -4.396 1.00 0.16 H new ATOM 622 N ALA A 211 3.530 11.578 -1.179 1.00 0.12 N ATOM 623 CA ALA A 211 4.504 11.422 -0.107 1.00 0.14 C ATOM 624 C ALA A 211 5.922 11.266 -0.638 1.00 0.24 C ATOM 625 O ALA A 211 6.733 10.545 -0.056 1.00 0.39 O ATOM 626 CB ALA A 211 4.138 10.222 0.751 1.00 0.20 C ATOM 0 H ALA A 211 3.098 10.704 -1.478 1.00 0.12 H new ATOM 0 HA ALA A 211 4.478 12.330 0.495 1.00 0.14 H new ATOM 0 HB1 ALA A 211 4.870 10.110 1.551 1.00 0.20 H new ATOM 0 HB2 ALA A 211 3.148 10.372 1.183 1.00 0.20 H new ATOM 0 HB3 ALA A 211 4.133 9.323 0.135 1.00 0.20 H new ATOM 707 N THR B 176 -9.774 0.714 6.224 1.00 0.22 N ATOM 708 CA THR B 176 -8.639 0.230 6.976 1.00 0.23 C ATOM 709 C THR B 176 -7.675 -0.507 6.062 1.00 0.19 C ATOM 710 O THR B 176 -8.074 -1.377 5.287 1.00 0.20 O ATOM 711 CB THR B 176 -9.086 -0.703 8.116 1.00 0.29 C ATOM 712 OG1 THR B 176 -10.059 -0.033 8.931 1.00 0.33 O ATOM 713 CG2 THR B 176 -7.902 -1.123 8.974 1.00 0.36 C ATOM 0 HA THR B 176 -8.135 1.093 7.411 1.00 0.23 H new ATOM 0 HB THR B 176 -9.525 -1.598 7.676 1.00 0.29 H new ATOM 0 HG1 THR B 176 -10.502 0.665 8.405 1.00 0.33 H new ATOM 0 HG21 THR B 176 -8.246 -1.782 9.772 1.00 0.36 H new ATOM 0 HG22 THR B 176 -7.174 -1.650 8.357 1.00 0.36 H new ATOM 0 HG23 THR B 176 -7.436 -0.239 9.409 1.00 0.36 H new ATOM 721 N VAL B 177 -6.411 -0.155 6.157 1.00 0.16 N ATOM 722 CA VAL B 177 -5.380 -0.775 5.355 1.00 0.14 C ATOM 723 C VAL B 177 -4.556 -1.716 6.221 1.00 0.13 C ATOM 724 O VAL B 177 -4.112 -1.333 7.306 1.00 0.13 O ATOM 725 CB VAL B 177 -4.459 0.290 4.727 1.00 0.14 C ATOM 726 CG1 VAL B 177 -3.333 -0.359 3.948 1.00 0.14 C ATOM 727 CG2 VAL B 177 -5.257 1.222 3.833 1.00 0.18 C ATOM 0 H VAL B 177 -6.070 0.568 6.791 1.00 0.16 H new ATOM 0 HA VAL B 177 -5.857 -1.337 4.552 1.00 0.14 H new ATOM 0 HB VAL B 177 -4.018 0.876 5.534 1.00 0.14 H new ATOM 0 HG11 VAL B 177 -2.698 0.414 3.515 1.00 0.14 H new ATOM 0 HG12 VAL B 177 -2.741 -0.983 4.617 1.00 0.14 H new ATOM 0 HG13 VAL B 177 -3.750 -0.975 3.151 1.00 0.14 H new ATOM 0 HG21 VAL B 177 -4.591 1.967 3.398 1.00 0.18 H new ATOM 0 HG22 VAL B 177 -5.728 0.647 3.036 1.00 0.18 H new ATOM 0 HG23 VAL B 177 -6.026 1.722 4.422 1.00 0.18 H new ATOM 737 N PRO B 178 -4.371 -2.971 5.786 1.00 0.12 N ATOM 738 CA PRO B 178 -3.537 -3.914 6.518 1.00 0.13 C ATOM 739 C PRO B 178 -2.058 -3.600 6.328 1.00 0.12 C ATOM 740 O PRO B 178 -1.391 -4.143 5.451 1.00 0.11 O ATOM 741 CB PRO B 178 -3.897 -5.258 5.885 1.00 0.13 C ATOM 742 CG PRO B 178 -4.333 -4.925 4.499 1.00 0.13 C ATOM 743 CD PRO B 178 -4.963 -3.560 4.575 1.00 0.13 C ATOM 0 HA PRO B 178 -3.705 -3.888 7.595 1.00 0.13 H new ATOM 0 HB2 PRO B 178 -3.041 -5.933 5.878 1.00 0.13 H new ATOM 0 HB3 PRO B 178 -4.692 -5.756 6.440 1.00 0.13 H new ATOM 0 HG2 PRO B 178 -3.486 -4.925 3.813 1.00 0.13 H new ATOM 0 HG3 PRO B 178 -5.044 -5.662 4.127 1.00 0.13 H new ATOM 0 HD2 PRO B 178 -4.739 -2.965 3.689 1.00 0.13 H new ATOM 0 HD3 PRO B 178 -6.049 -3.623 4.650 1.00 0.13 H new ATOM 751 N TRP B 179 -1.557 -2.744 7.197 1.00 0.13 N ATOM 752 CA TRP B 179 -0.182 -2.285 7.114 1.00 0.14 C ATOM 753 C TRP B 179 0.807 -3.384 7.467 1.00 0.13 C ATOM 754 O TRP B 179 1.931 -3.387 6.977 1.00 0.15 O ATOM 755 CB TRP B 179 0.029 -1.066 8.007 1.00 0.17 C ATOM 756 CG TRP B 179 -0.786 0.114 7.578 1.00 0.15 C ATOM 757 CD1 TRP B 179 -1.843 0.668 8.239 1.00 0.16 C ATOM 758 CD2 TRP B 179 -0.620 0.873 6.378 1.00 0.14 C ATOM 759 NE1 TRP B 179 -2.340 1.730 7.523 1.00 0.15 N ATOM 760 CE2 TRP B 179 -1.604 1.878 6.378 1.00 0.14 C ATOM 761 CE3 TRP B 179 0.268 0.803 5.303 1.00 0.16 C ATOM 762 CZ2 TRP B 179 -1.724 2.803 5.346 1.00 0.16 C ATOM 763 CZ3 TRP B 179 0.150 1.720 4.280 1.00 0.18 C ATOM 764 CH2 TRP B 179 -0.839 2.710 4.308 1.00 0.18 C ATOM 0 H TRP B 179 -2.086 -2.349 7.975 1.00 0.13 H new ATOM 0 HA TRP B 179 0.005 -2.001 6.079 1.00 0.14 H new ATOM 0 HB2 TRP B 179 -0.227 -1.325 9.034 1.00 0.17 H new ATOM 0 HB3 TRP B 179 1.085 -0.795 8.001 1.00 0.17 H new ATOM 0 HD1 TRP B 179 -2.232 0.323 9.186 1.00 0.16 H new ATOM 0 HE1 TRP B 179 -3.129 2.314 7.800 1.00 0.15 H new ATOM 0 HE3 TRP B 179 1.035 0.043 5.273 1.00 0.16 H new ATOM 0 HZ2 TRP B 179 -2.488 3.566 5.364 1.00 0.16 H new ATOM 0 HZ3 TRP B 179 0.832 1.674 3.444 1.00 0.18 H new ATOM 0 HH2 TRP B 179 -0.904 3.415 3.493 1.00 0.18 H new ATOM 775 N ASP B 180 0.390 -4.325 8.294 1.00 0.13 N ATOM 776 CA ASP B 180 1.271 -5.419 8.687 1.00 0.14 C ATOM 777 C ASP B 180 1.415 -6.419 7.547 1.00 0.11 C ATOM 778 O ASP B 180 2.521 -6.859 7.230 1.00 0.12 O ATOM 779 CB ASP B 180 0.747 -6.122 9.940 1.00 0.19 C ATOM 780 CG ASP B 180 1.738 -7.123 10.503 1.00 1.21 C ATOM 781 OD1 ASP B 180 2.572 -6.723 11.344 1.00 1.82 O ATOM 782 OD2 ASP B 180 1.684 -8.310 10.122 1.00 2.10 O ATOM 0 H ASP B 180 -0.543 -4.358 8.705 1.00 0.13 H new ATOM 0 HA ASP B 180 2.250 -4.998 8.915 1.00 0.14 H new ATOM 0 HB2 ASP B 180 0.517 -5.377 10.701 1.00 0.19 H new ATOM 0 HB3 ASP B 180 -0.186 -6.634 9.702 1.00 0.19 H new ATOM 787 N ASP B 181 0.291 -6.753 6.919 1.00 0.11 N ATOM 788 CA ASP B 181 0.284 -7.684 5.795 1.00 0.12 C ATOM 789 C ASP B 181 1.005 -7.078 4.605 1.00 0.11 C ATOM 790 O ASP B 181 1.759 -7.756 3.907 1.00 0.13 O ATOM 791 CB ASP B 181 -1.148 -8.050 5.396 1.00 0.16 C ATOM 792 CG ASP B 181 -1.872 -8.865 6.449 1.00 0.23 C ATOM 793 OD1 ASP B 181 -2.328 -8.280 7.452 1.00 1.03 O ATOM 794 OD2 ASP B 181 -2.011 -10.093 6.264 1.00 0.81 O ATOM 0 H ASP B 181 -0.629 -6.392 7.170 1.00 0.11 H new ATOM 0 HA ASP B 181 0.802 -8.591 6.107 1.00 0.12 H new ATOM 0 HB2 ASP B 181 -1.710 -7.136 5.204 1.00 0.16 H new ATOM 0 HB3 ASP B 181 -1.126 -8.612 4.463 1.00 0.16 H new ATOM 799 N ILE B 182 0.777 -5.789 4.380 1.00 0.11 N ATOM 800 CA ILE B 182 1.445 -5.084 3.304 1.00 0.14 C ATOM 801 C ILE B 182 2.937 -5.016 3.575 1.00 0.13 C ATOM 802 O ILE B 182 3.743 -5.240 2.680 1.00 0.13 O ATOM 803 CB ILE B 182 0.876 -3.661 3.108 1.00 0.16 C ATOM 804 CG1 ILE B 182 -0.559 -3.736 2.595 1.00 0.17 C ATOM 805 CG2 ILE B 182 1.739 -2.858 2.145 1.00 0.26 C ATOM 806 CD1 ILE B 182 -1.205 -2.386 2.414 1.00 0.20 C ATOM 0 H ILE B 182 0.136 -5.216 4.929 1.00 0.11 H new ATOM 0 HA ILE B 182 1.267 -5.640 2.383 1.00 0.14 H new ATOM 0 HB ILE B 182 0.882 -3.154 4.073 1.00 0.16 H new ATOM 0 HG12 ILE B 182 -0.568 -4.265 1.642 1.00 0.17 H new ATOM 0 HG13 ILE B 182 -1.155 -4.325 3.292 1.00 0.17 H new ATOM 0 HG21 ILE B 182 1.317 -1.860 2.024 1.00 0.26 H new ATOM 0 HG22 ILE B 182 2.751 -2.779 2.543 1.00 0.26 H new ATOM 0 HG23 ILE B 182 1.768 -3.359 1.178 1.00 0.26 H new ATOM 0 HD11 ILE B 182 -2.223 -2.516 2.047 1.00 0.20 H new ATOM 0 HD12 ILE B 182 -1.228 -1.862 3.370 1.00 0.20 H new ATOM 0 HD13 ILE B 182 -0.632 -1.802 1.694 1.00 0.20 H new ATOM 818 N GLU B 183 3.303 -4.734 4.821 1.00 0.13 N ATOM 819 CA GLU B 183 4.702 -4.713 5.218 1.00 0.15 C ATOM 820 C GLU B 183 5.353 -6.066 4.962 1.00 0.13 C ATOM 821 O GLU B 183 6.509 -6.137 4.559 1.00 0.14 O ATOM 822 CB GLU B 183 4.834 -4.348 6.696 1.00 0.18 C ATOM 823 CG GLU B 183 6.268 -4.315 7.191 1.00 0.27 C ATOM 824 CD GLU B 183 6.359 -4.084 8.680 1.00 0.34 C ATOM 825 OE1 GLU B 183 5.984 -4.993 9.450 1.00 1.09 O ATOM 826 OE2 GLU B 183 6.811 -2.996 9.092 1.00 1.07 O ATOM 0 H GLU B 183 2.648 -4.517 5.572 1.00 0.13 H new ATOM 0 HA GLU B 183 5.212 -3.958 4.620 1.00 0.15 H new ATOM 0 HB2 GLU B 183 4.379 -3.371 6.862 1.00 0.18 H new ATOM 0 HB3 GLU B 183 4.270 -5.067 7.290 1.00 0.18 H new ATOM 0 HG2 GLU B 183 6.757 -5.257 6.942 1.00 0.27 H new ATOM 0 HG3 GLU B 183 6.811 -3.526 6.670 1.00 0.27 H new ATOM 833 N ALA B 184 4.602 -7.137 5.183 1.00 0.13 N ATOM 834 CA ALA B 184 5.111 -8.480 4.952 1.00 0.13 C ATOM 835 C ALA B 184 5.293 -8.731 3.461 1.00 0.12 C ATOM 836 O ALA B 184 6.253 -9.381 3.035 1.00 0.13 O ATOM 837 CB ALA B 184 4.170 -9.509 5.556 1.00 0.15 C ATOM 0 H ALA B 184 3.640 -7.101 5.521 1.00 0.13 H new ATOM 0 HA ALA B 184 6.083 -8.573 5.436 1.00 0.13 H new ATOM 0 HB1 ALA B 184 4.562 -10.510 5.376 1.00 0.15 H new ATOM 0 HB2 ALA B 184 4.086 -9.339 6.629 1.00 0.15 H new ATOM 0 HB3 ALA B 184 3.186 -9.417 5.096 1.00 0.15 H new ATOM 843 N LEU B 185 4.391 -8.174 2.667 1.00 0.12 N ATOM 844 CA LEU B 185 4.459 -8.314 1.225 1.00 0.12 C ATOM 845 C LEU B 185 5.670 -7.572 0.691 1.00 0.11 C ATOM 846 O LEU B 185 6.403 -8.083 -0.148 1.00 0.11 O ATOM 847 CB LEU B 185 3.188 -7.779 0.569 1.00 0.14 C ATOM 848 CG LEU B 185 3.223 -7.722 -0.959 1.00 0.15 C ATOM 849 CD1 LEU B 185 3.407 -9.111 -1.551 1.00 0.16 C ATOM 850 CD2 LEU B 185 1.957 -7.077 -1.487 1.00 0.17 C ATOM 0 H LEU B 185 3.602 -7.620 3.001 1.00 0.12 H new ATOM 0 HA LEU B 185 4.551 -9.373 0.984 1.00 0.12 H new ATOM 0 HB2 LEU B 185 2.349 -8.404 0.875 1.00 0.14 H new ATOM 0 HB3 LEU B 185 2.995 -6.776 0.950 1.00 0.14 H new ATOM 0 HG LEU B 185 4.076 -7.115 -1.262 1.00 0.15 H new ATOM 0 HD11 LEU B 185 3.429 -9.043 -2.639 1.00 0.16 H new ATOM 0 HD12 LEU B 185 4.345 -9.537 -1.195 1.00 0.16 H new ATOM 0 HD13 LEU B 185 2.579 -9.750 -1.244 1.00 0.16 H new ATOM 0 HD21 LEU B 185 1.993 -7.042 -2.576 1.00 0.17 H new ATOM 0 HD22 LEU B 185 1.092 -7.661 -1.171 1.00 0.17 H new ATOM 0 HD23 LEU B 185 1.874 -6.064 -1.094 1.00 0.17 H new ATOM 862 N LEU B 186 5.882 -6.370 1.201 1.00 0.10 N ATOM 863 CA LEU B 186 7.016 -5.557 0.802 1.00 0.09 C ATOM 864 C LEU B 186 8.309 -6.126 1.361 1.00 0.09 C ATOM 865 O LEU B 186 9.376 -5.930 0.795 1.00 0.08 O ATOM 866 CB LEU B 186 6.834 -4.109 1.258 1.00 0.10 C ATOM 867 CG LEU B 186 6.026 -3.216 0.307 1.00 0.10 C ATOM 868 CD1 LEU B 186 6.695 -3.160 -1.053 1.00 0.09 C ATOM 869 CD2 LEU B 186 4.597 -3.708 0.169 1.00 0.14 C ATOM 0 H LEU B 186 5.278 -5.934 1.898 1.00 0.10 H new ATOM 0 HA LEU B 186 7.073 -5.571 -0.286 1.00 0.09 H new ATOM 0 HB2 LEU B 186 6.344 -4.111 2.231 1.00 0.10 H new ATOM 0 HB3 LEU B 186 7.819 -3.664 1.398 1.00 0.10 H new ATOM 0 HG LEU B 186 5.996 -2.213 0.732 1.00 0.10 H new ATOM 0 HD11 LEU B 186 6.113 -2.523 -1.719 1.00 0.09 H new ATOM 0 HD12 LEU B 186 7.700 -2.751 -0.948 1.00 0.09 H new ATOM 0 HD13 LEU B 186 6.754 -4.165 -1.471 1.00 0.09 H new ATOM 0 HD21 LEU B 186 4.051 -3.054 -0.511 1.00 0.14 H new ATOM 0 HD22 LEU B 186 4.598 -4.724 -0.227 1.00 0.14 H new ATOM 0 HD23 LEU B 186 4.114 -3.700 1.146 1.00 0.14 H new ATOM 881 N LYS B 187 8.202 -6.841 2.467 1.00 0.11 N ATOM 882 CA LYS B 187 9.355 -7.500 3.059 1.00 0.12 C ATOM 883 C LYS B 187 9.844 -8.604 2.136 1.00 0.13 C ATOM 884 O LYS B 187 11.045 -8.780 1.944 1.00 0.14 O ATOM 885 CB LYS B 187 9.010 -8.075 4.432 1.00 0.15 C ATOM 886 CG LYS B 187 10.214 -8.645 5.163 1.00 0.22 C ATOM 887 CD LYS B 187 9.832 -9.231 6.515 1.00 0.29 C ATOM 888 CE LYS B 187 8.913 -10.432 6.369 1.00 0.78 C ATOM 889 NZ LYS B 187 8.591 -11.052 7.681 1.00 1.62 N ATOM 0 H LYS B 187 7.328 -6.981 2.974 1.00 0.11 H new ATOM 0 HA LYS B 187 10.147 -6.762 3.191 1.00 0.12 H new ATOM 0 HB2 LYS B 187 8.559 -7.293 5.043 1.00 0.15 H new ATOM 0 HB3 LYS B 187 8.261 -8.858 4.313 1.00 0.15 H new ATOM 0 HG2 LYS B 187 10.678 -9.418 4.550 1.00 0.22 H new ATOM 0 HG3 LYS B 187 10.958 -7.861 5.304 1.00 0.22 H new ATOM 0 HD2 LYS B 187 10.734 -9.526 7.051 1.00 0.29 H new ATOM 0 HD3 LYS B 187 9.339 -8.467 7.116 1.00 0.29 H new ATOM 0 HE2 LYS B 187 7.990 -10.124 5.878 1.00 0.78 H new ATOM 0 HE3 LYS B 187 9.385 -11.173 5.724 1.00 0.78 H new ATOM 0 HZ1 LYS B 187 7.962 -11.867 7.535 1.00 1.62 H new ATOM 0 HZ2 LYS B 187 9.469 -11.370 8.140 1.00 1.62 H new ATOM 0 HZ3 LYS B 187 8.117 -10.353 8.288 1.00 1.62 H new ATOM 903 N ASN B 188 8.902 -9.349 1.576 1.00 0.15 N ATOM 904 CA ASN B 188 9.224 -10.372 0.588 1.00 0.19 C ATOM 905 C ASN B 188 9.636 -9.739 -0.733 1.00 0.18 C ATOM 906 O ASN B 188 10.521 -10.234 -1.421 1.00 0.24 O ATOM 907 CB ASN B 188 8.030 -11.300 0.366 1.00 0.24 C ATOM 908 CG ASN B 188 7.858 -12.304 1.487 1.00 0.75 C ATOM 909 OD1 ASN B 188 8.430 -13.394 1.449 1.00 0.74 O ATOM 910 ND2 ASN B 188 7.071 -11.952 2.488 1.00 1.37 N ATOM 0 H ASN B 188 7.908 -9.265 1.788 1.00 0.15 H new ATOM 0 HA ASN B 188 10.060 -10.956 0.972 1.00 0.19 H new ATOM 0 HB2 ASN B 188 7.122 -10.703 0.275 1.00 0.24 H new ATOM 0 HB3 ASN B 188 8.158 -11.832 -0.577 1.00 0.24 H new ATOM 0 HD21 ASN B 188 6.919 -12.593 3.267 1.00 1.37 H new ATOM 0 HD22 ASN B 188 6.615 -11.039 2.482 1.00 1.37 H new ATOM 917 N ASN B 189 8.987 -8.639 -1.073 1.00 0.13 N ATOM 918 CA ASN B 189 9.275 -7.913 -2.305 1.00 0.14 C ATOM 919 C ASN B 189 10.689 -7.343 -2.275 1.00 0.13 C ATOM 920 O ASN B 189 11.368 -7.258 -3.299 1.00 0.16 O ATOM 921 CB ASN B 189 8.261 -6.782 -2.476 1.00 0.13 C ATOM 922 CG ASN B 189 8.359 -6.095 -3.823 1.00 0.18 C ATOM 923 OD1 ASN B 189 9.097 -5.124 -3.990 1.00 0.20 O ATOM 924 ND2 ASN B 189 7.606 -6.589 -4.790 1.00 0.22 N ATOM 0 H ASN B 189 8.247 -8.222 -0.507 1.00 0.13 H new ATOM 0 HA ASN B 189 9.201 -8.602 -3.146 1.00 0.14 H new ATOM 0 HB2 ASN B 189 7.255 -7.182 -2.351 1.00 0.13 H new ATOM 0 HB3 ASN B 189 8.411 -6.045 -1.687 1.00 0.13 H new ATOM 0 HD21 ASN B 189 7.623 -6.164 -5.717 1.00 0.22 H new ATOM 0 HD22 ASN B 189 7.008 -7.395 -4.609 1.00 0.22 H new ATOM 931 N PHE B 190 11.123 -6.969 -1.085 1.00 0.10 N ATOM 932 CA PHE B 190 12.432 -6.381 -0.878 1.00 0.10 C ATOM 933 C PHE B 190 13.285 -7.270 0.015 1.00 0.11 C ATOM 934 O PHE B 190 13.981 -6.759 0.885 1.00 0.12 O ATOM 935 CB PHE B 190 12.318 -4.980 -0.273 1.00 0.09 C ATOM 936 CG PHE B 190 11.827 -3.934 -1.235 1.00 0.10 C ATOM 937 CD1 PHE B 190 12.677 -3.410 -2.193 1.00 1.17 C ATOM 938 CD2 PHE B 190 10.520 -3.473 -1.180 1.00 1.18 C ATOM 939 CE1 PHE B 190 12.238 -2.446 -3.080 1.00 1.18 C ATOM 940 CE2 PHE B 190 10.076 -2.508 -2.066 1.00 1.18 C ATOM 941 CZ PHE B 190 10.936 -1.995 -3.015 1.00 0.14 C ATOM 0 H PHE B 190 10.574 -7.066 -0.231 1.00 0.10 H new ATOM 0 HA PHE B 190 12.915 -6.295 -1.851 1.00 0.10 H new ATOM 0 HB2 PHE B 190 11.642 -5.019 0.581 1.00 0.09 H new ATOM 0 HB3 PHE B 190 13.294 -4.679 0.107 1.00 0.09 H new ATOM 0 HD1 PHE B 190 13.697 -3.759 -2.248 1.00 1.17 H new ATOM 0 HD2 PHE B 190 9.843 -3.871 -0.439 1.00 1.18 H new ATOM 0 HE1 PHE B 190 12.913 -2.046 -3.823 1.00 1.18 H new ATOM 0 HE2 PHE B 190 9.056 -2.156 -2.015 1.00 1.18 H new ATOM 0 HZ PHE B 190 10.590 -1.241 -3.706 1.00 0.14 H new ATOM 951 N GLU B 191 13.050 -8.589 -0.092 1.00 0.14 N ATOM 952 CA GLU B 191 13.905 -9.682 0.469 1.00 0.20 C ATOM 953 C GLU B 191 15.440 -9.469 0.373 1.00 0.21 C ATOM 954 O GLU B 191 16.192 -10.404 0.099 1.00 0.21 O ATOM 955 CB GLU B 191 13.542 -11.006 -0.207 1.00 0.29 C ATOM 956 CG GLU B 191 13.630 -10.962 -1.725 1.00 0.37 C ATOM 957 CD GLU B 191 13.347 -12.304 -2.367 1.00 0.84 C ATOM 958 OE1 GLU B 191 12.166 -12.613 -2.627 1.00 1.40 O ATOM 959 OE2 GLU B 191 14.307 -13.058 -2.624 1.00 1.73 O ATOM 0 H GLU B 191 12.234 -8.950 -0.586 1.00 0.14 H new ATOM 0 HA GLU B 191 13.686 -9.685 1.537 1.00 0.20 H new ATOM 0 HB2 GLU B 191 14.206 -11.787 0.164 1.00 0.29 H new ATOM 0 HB3 GLU B 191 12.529 -11.285 0.081 1.00 0.29 H new ATOM 0 HG2 GLU B 191 12.921 -10.226 -2.105 1.00 0.37 H new ATOM 0 HG3 GLU B 191 14.625 -10.627 -2.017 1.00 0.37 H new ATOM 966 N ASN B 192 15.872 -8.257 0.627 1.00 0.31 N ATOM 967 CA ASN B 192 17.270 -7.864 0.566 1.00 0.44 C ATOM 968 C ASN B 192 17.429 -6.480 1.171 1.00 0.57 C ATOM 969 O ASN B 192 18.334 -6.229 1.965 1.00 1.08 O ATOM 970 CB ASN B 192 17.767 -7.866 -0.880 1.00 0.47 C ATOM 971 CG ASN B 192 19.217 -7.436 -1.004 1.00 0.62 C ATOM 972 OD1 ASN B 192 20.130 -8.253 -0.879 1.00 0.68 O ATOM 973 ND2 ASN B 192 19.442 -6.158 -1.277 1.00 1.16 N ATOM 0 H ASN B 192 15.249 -7.493 0.889 1.00 0.31 H new ATOM 0 HA ASN B 192 17.866 -8.580 1.132 1.00 0.44 H new ATOM 0 HB2 ASN B 192 17.653 -8.866 -1.297 1.00 0.47 H new ATOM 0 HB3 ASN B 192 17.143 -7.199 -1.475 1.00 0.47 H new ATOM 0 HD21 ASN B 192 20.398 -5.821 -1.391 1.00 1.16 H new ATOM 0 HD22 ASN B 192 18.659 -5.511 -1.373 1.00 1.16 H new ATOM 980 N ASP B 193 16.522 -5.591 0.795 1.00 0.21 N ATOM 981 CA ASP B 193 16.541 -4.218 1.272 1.00 0.24 C ATOM 982 C ASP B 193 15.414 -3.977 2.267 1.00 0.20 C ATOM 983 O ASP B 193 14.336 -3.503 1.906 1.00 0.17 O ATOM 984 CB ASP B 193 16.407 -3.248 0.098 1.00 0.33 C ATOM 985 CG ASP B 193 17.561 -3.341 -0.875 1.00 0.84 C ATOM 986 OD1 ASP B 193 17.492 -4.172 -1.808 1.00 1.27 O ATOM 987 OD2 ASP B 193 18.540 -2.586 -0.711 1.00 1.78 O ATOM 0 H ASP B 193 15.756 -5.800 0.154 1.00 0.21 H new ATOM 0 HA ASP B 193 17.493 -4.046 1.773 1.00 0.24 H new ATOM 0 HB2 ASP B 193 15.475 -3.451 -0.430 1.00 0.33 H new ATOM 0 HB3 ASP B 193 16.341 -2.229 0.480 1.00 0.33 H new ATOM 992 N GLN B 194 15.667 -4.297 3.525 1.00 0.22 N ATOM 993 CA GLN B 194 14.679 -4.085 4.573 1.00 0.21 C ATOM 994 C GLN B 194 14.473 -2.593 4.781 1.00 0.21 C ATOM 995 O GLN B 194 13.377 -2.135 5.089 1.00 0.25 O ATOM 996 CB GLN B 194 15.130 -4.748 5.872 1.00 0.26 C ATOM 997 CG GLN B 194 15.396 -6.240 5.733 1.00 0.26 C ATOM 998 CD GLN B 194 14.172 -7.022 5.291 1.00 0.25 C ATOM 999 OE1 GLN B 194 13.375 -7.469 6.115 1.00 0.44 O ATOM 1000 NE2 GLN B 194 14.023 -7.210 3.988 1.00 0.35 N ATOM 0 H GLN B 194 16.545 -4.704 3.846 1.00 0.22 H new ATOM 0 HA GLN B 194 13.734 -4.537 4.271 1.00 0.21 H new ATOM 0 HB2 GLN B 194 16.037 -4.257 6.225 1.00 0.26 H new ATOM 0 HB3 GLN B 194 14.366 -4.593 6.634 1.00 0.26 H new ATOM 0 HG2 GLN B 194 16.199 -6.395 5.012 1.00 0.26 H new ATOM 0 HG3 GLN B 194 15.745 -6.632 6.688 1.00 0.26 H new ATOM 0 HE21 GLN B 194 14.705 -6.824 3.336 1.00 0.35 H new ATOM 0 HE22 GLN B 194 13.226 -7.741 3.637 1.00 0.35 H new ATOM 1009 N ALA B 195 15.555 -1.850 4.607 1.00 0.25 N ATOM 1010 CA ALA B 195 15.511 -0.394 4.606 1.00 0.25 C ATOM 1011 C ALA B 195 14.534 0.119 3.556 1.00 0.20 C ATOM 1012 O ALA B 195 13.890 1.152 3.741 1.00 0.19 O ATOM 1013 CB ALA B 195 16.894 0.171 4.354 1.00 0.33 C ATOM 0 H ALA B 195 16.487 -2.237 4.463 1.00 0.25 H new ATOM 0 HA ALA B 195 15.166 -0.062 5.585 1.00 0.25 H new ATOM 0 HB1 ALA B 195 16.848 1.260 4.356 1.00 0.33 H new ATOM 0 HB2 ALA B 195 17.573 -0.165 5.138 1.00 0.33 H new ATOM 0 HB3 ALA B 195 17.258 -0.175 3.387 1.00 0.33 H new ATOM 1019 N ALA B 196 14.403 -0.623 2.467 1.00 0.18 N ATOM 1020 CA ALA B 196 13.487 -0.251 1.407 1.00 0.15 C ATOM 1021 C ALA B 196 12.071 -0.576 1.830 1.00 0.11 C ATOM 1022 O ALA B 196 11.151 0.183 1.555 1.00 0.09 O ATOM 1023 CB ALA B 196 13.836 -0.956 0.111 1.00 0.18 C ATOM 0 H ALA B 196 14.920 -1.485 2.297 1.00 0.18 H new ATOM 0 HA ALA B 196 13.571 0.821 1.228 1.00 0.15 H new ATOM 0 HB1 ALA B 196 13.132 -0.658 -0.666 1.00 0.18 H new ATOM 0 HB2 ALA B 196 14.847 -0.683 -0.191 1.00 0.18 H new ATOM 0 HB3 ALA B 196 13.780 -2.035 0.257 1.00 0.18 H new ATOM 1029 N VAL B 197 11.912 -1.704 2.521 1.00 0.11 N ATOM 1030 CA VAL B 197 10.624 -2.072 3.100 1.00 0.10 C ATOM 1031 C VAL B 197 10.125 -0.956 4.013 1.00 0.11 C ATOM 1032 O VAL B 197 8.956 -0.573 3.974 1.00 0.11 O ATOM 1033 CB VAL B 197 10.718 -3.379 3.914 1.00 0.12 C ATOM 1034 CG1 VAL B 197 9.349 -3.787 4.442 1.00 0.14 C ATOM 1035 CG2 VAL B 197 11.322 -4.493 3.080 1.00 0.11 C ATOM 0 H VAL B 197 12.659 -2.377 2.693 1.00 0.11 H new ATOM 0 HA VAL B 197 9.927 -2.226 2.276 1.00 0.10 H new ATOM 0 HB VAL B 197 11.373 -3.198 4.766 1.00 0.12 H new ATOM 0 HG11 VAL B 197 9.440 -4.711 5.013 1.00 0.14 H new ATOM 0 HG12 VAL B 197 8.958 -3.000 5.086 1.00 0.14 H new ATOM 0 HG13 VAL B 197 8.668 -3.943 3.605 1.00 0.14 H new ATOM 0 HG21 VAL B 197 11.378 -5.404 3.676 1.00 0.11 H new ATOM 0 HG22 VAL B 197 10.699 -4.670 2.203 1.00 0.11 H new ATOM 0 HG23 VAL B 197 12.324 -4.206 2.761 1.00 0.11 H new ATOM 1045 N ARG B 198 11.037 -0.424 4.816 1.00 0.12 N ATOM 1046 CA ARG B 198 10.723 0.676 5.714 1.00 0.14 C ATOM 1047 C ARG B 198 10.246 1.879 4.918 1.00 0.13 C ATOM 1048 O ARG B 198 9.161 2.402 5.151 1.00 0.14 O ATOM 1049 CB ARG B 198 11.951 1.076 6.532 1.00 0.19 C ATOM 1050 CG ARG B 198 12.546 -0.051 7.352 1.00 0.24 C ATOM 1051 CD ARG B 198 13.761 0.424 8.125 1.00 0.35 C ATOM 1052 NE ARG B 198 14.439 -0.672 8.809 1.00 1.12 N ATOM 1053 CZ ARG B 198 15.698 -0.616 9.239 1.00 1.48 C ATOM 1054 NH1 ARG B 198 16.417 0.488 9.076 1.00 1.02 N ATOM 1055 NH2 ARG B 198 16.236 -1.669 9.834 1.00 2.36 N ATOM 0 H ARG B 198 12.006 -0.740 4.863 1.00 0.12 H new ATOM 0 HA ARG B 198 9.936 0.344 6.391 1.00 0.14 H new ATOM 0 HB2 ARG B 198 12.715 1.460 5.856 1.00 0.19 H new ATOM 0 HB3 ARG B 198 11.678 1.892 7.201 1.00 0.19 H new ATOM 0 HG2 ARG B 198 11.798 -0.436 8.044 1.00 0.24 H new ATOM 0 HG3 ARG B 198 12.827 -0.874 6.695 1.00 0.24 H new ATOM 0 HD2 ARG B 198 14.457 0.911 7.442 1.00 0.35 H new ATOM 0 HD3 ARG B 198 13.455 1.173 8.856 1.00 0.35 H new ATOM 0 HE ARG B 198 13.917 -1.534 8.967 1.00 1.12 H new ATOM 0 HH11 ARG B 198 16.006 1.302 8.619 1.00 1.02 H new ATOM 0 HH12 ARG B 198 17.381 0.523 9.408 1.00 1.02 H new ATOM 0 HH21 ARG B 198 15.687 -2.519 9.961 1.00 2.36 H new ATOM 0 HH22 ARG B 198 17.200 -1.631 10.165 1.00 2.36 H new ATOM 1069 N GLN B 199 11.062 2.287 3.955 1.00 0.13 N ATOM 1070 CA GLN B 199 10.789 3.483 3.169 1.00 0.13 C ATOM 1071 C GLN B 199 9.474 3.382 2.405 1.00 0.12 C ATOM 1072 O GLN B 199 8.722 4.356 2.321 1.00 0.12 O ATOM 1073 CB GLN B 199 11.935 3.743 2.198 1.00 0.14 C ATOM 1074 CG GLN B 199 13.242 4.091 2.886 1.00 0.17 C ATOM 1075 CD GLN B 199 14.373 4.316 1.908 1.00 0.23 C ATOM 1076 OE1 GLN B 199 14.589 5.432 1.436 1.00 0.29 O ATOM 1077 NE2 GLN B 199 15.109 3.260 1.610 1.00 0.25 N ATOM 0 H GLN B 199 11.923 1.804 3.698 1.00 0.13 H new ATOM 0 HA GLN B 199 10.700 4.317 3.866 1.00 0.13 H new ATOM 0 HB2 GLN B 199 12.084 2.859 1.578 1.00 0.14 H new ATOM 0 HB3 GLN B 199 11.657 4.558 1.529 1.00 0.14 H new ATOM 0 HG2 GLN B 199 13.103 4.989 3.488 1.00 0.17 H new ATOM 0 HG3 GLN B 199 13.513 3.287 3.570 1.00 0.17 H new ATOM 0 HE21 GLN B 199 14.893 2.354 2.026 1.00 0.25 H new ATOM 0 HE22 GLN B 199 15.893 3.351 0.964 1.00 0.25 H new ATOM 1086 N VAL B 200 9.178 2.205 1.872 1.00 0.12 N ATOM 1087 CA VAL B 200 7.983 2.044 1.065 1.00 0.12 C ATOM 1088 C VAL B 200 6.748 2.058 1.951 1.00 0.12 C ATOM 1089 O VAL B 200 5.743 2.674 1.612 1.00 0.12 O ATOM 1090 CB VAL B 200 7.996 0.758 0.199 1.00 0.14 C ATOM 1091 CG1 VAL B 200 9.167 0.767 -0.765 1.00 0.16 C ATOM 1092 CG2 VAL B 200 8.036 -0.492 1.057 1.00 0.15 C ATOM 0 H VAL B 200 9.741 1.361 1.983 1.00 0.12 H new ATOM 0 HA VAL B 200 7.960 2.887 0.375 1.00 0.12 H new ATOM 0 HB VAL B 200 7.069 0.745 -0.374 1.00 0.14 H new ATOM 0 HG11 VAL B 200 9.154 -0.145 -1.361 1.00 0.16 H new ATOM 0 HG12 VAL B 200 9.089 1.632 -1.424 1.00 0.16 H new ATOM 0 HG13 VAL B 200 10.100 0.821 -0.204 1.00 0.16 H new ATOM 0 HG21 VAL B 200 8.044 -1.373 0.416 1.00 0.15 H new ATOM 0 HG22 VAL B 200 8.936 -0.482 1.672 1.00 0.15 H new ATOM 0 HG23 VAL B 200 7.157 -0.520 1.701 1.00 0.15 H new ATOM 1102 N MET B 201 6.841 1.420 3.114 1.00 0.13 N ATOM 1103 CA MET B 201 5.717 1.358 4.033 1.00 0.15 C ATOM 1104 C MET B 201 5.437 2.717 4.653 1.00 0.12 C ATOM 1105 O MET B 201 4.282 3.096 4.840 1.00 0.14 O ATOM 1106 CB MET B 201 5.974 0.330 5.135 1.00 0.20 C ATOM 1107 CG MET B 201 5.954 -1.106 4.643 1.00 1.01 C ATOM 1108 SD MET B 201 4.421 -1.523 3.791 1.00 1.58 S ATOM 1109 CE MET B 201 3.214 -1.178 5.068 1.00 1.20 C ATOM 0 H MET B 201 7.681 0.941 3.439 1.00 0.13 H new ATOM 0 HA MET B 201 4.842 1.052 3.459 1.00 0.15 H new ATOM 0 HB2 MET B 201 6.942 0.535 5.593 1.00 0.20 H new ATOM 0 HB3 MET B 201 5.221 0.449 5.914 1.00 0.20 H new ATOM 0 HG2 MET B 201 6.796 -1.268 3.969 1.00 1.01 H new ATOM 0 HG3 MET B 201 6.090 -1.779 5.490 1.00 1.01 H new ATOM 0 HE1 MET B 201 2.269 -1.660 4.815 1.00 1.20 H new ATOM 0 HE2 MET B 201 3.574 -1.563 6.022 1.00 1.20 H new ATOM 0 HE3 MET B 201 3.063 -0.101 5.145 1.00 1.20 H new ATOM 1119 N GLU B 202 6.493 3.462 4.941 1.00 0.11 N ATOM 1120 CA GLU B 202 6.353 4.760 5.581 1.00 0.11 C ATOM 1121 C GLU B 202 5.850 5.796 4.588 1.00 0.10 C ATOM 1122 O GLU B 202 5.154 6.742 4.963 1.00 0.10 O ATOM 1123 CB GLU B 202 7.683 5.206 6.184 1.00 0.12 C ATOM 1124 CG GLU B 202 8.111 4.376 7.382 1.00 0.14 C ATOM 1125 CD GLU B 202 9.437 4.821 7.955 1.00 0.19 C ATOM 1126 OE1 GLU B 202 9.507 5.942 8.506 1.00 1.00 O ATOM 1127 OE2 GLU B 202 10.424 4.063 7.845 1.00 1.06 O ATOM 0 H GLU B 202 7.456 3.190 4.742 1.00 0.11 H new ATOM 0 HA GLU B 202 5.621 4.667 6.384 1.00 0.11 H new ATOM 0 HB2 GLU B 202 8.457 5.151 5.418 1.00 0.12 H new ATOM 0 HB3 GLU B 202 7.605 6.251 6.484 1.00 0.12 H new ATOM 0 HG2 GLU B 202 7.346 4.440 8.155 1.00 0.14 H new ATOM 0 HG3 GLU B 202 8.180 3.329 7.088 1.00 0.14 H new ATOM 1134 N ARG B 203 6.175 5.597 3.317 1.00 0.09 N ATOM 1135 CA ARG B 203 5.728 6.508 2.277 1.00 0.09 C ATOM 1136 C ARG B 203 4.282 6.194 1.901 1.00 0.08 C ATOM 1137 O ARG B 203 3.506 7.089 1.590 1.00 0.09 O ATOM 1138 CB ARG B 203 6.655 6.432 1.060 1.00 0.10 C ATOM 1139 CG ARG B 203 6.219 7.300 -0.107 1.00 0.21 C ATOM 1140 CD ARG B 203 7.312 7.408 -1.158 1.00 0.15 C ATOM 1141 NE ARG B 203 6.797 7.867 -2.447 1.00 0.47 N ATOM 1142 CZ ARG B 203 7.564 8.220 -3.478 1.00 0.40 C ATOM 1143 NH1 ARG B 203 8.879 8.344 -3.328 1.00 0.60 N ATOM 1144 NH2 ARG B 203 7.007 8.490 -4.650 1.00 0.79 N ATOM 0 H ARG B 203 6.743 4.817 2.985 1.00 0.09 H new ATOM 0 HA ARG B 203 5.768 7.530 2.654 1.00 0.09 H new ATOM 0 HB2 ARG B 203 7.660 6.727 1.363 1.00 0.10 H new ATOM 0 HB3 ARG B 203 6.714 5.396 0.726 1.00 0.10 H new ATOM 0 HG2 ARG B 203 5.319 6.881 -0.558 1.00 0.21 H new ATOM 0 HG3 ARG B 203 5.961 8.295 0.255 1.00 0.21 H new ATOM 0 HD2 ARG B 203 8.081 8.097 -0.810 1.00 0.15 H new ATOM 0 HD3 ARG B 203 7.789 6.436 -1.285 1.00 0.15 H new ATOM 0 HE ARG B 203 5.785 7.921 -2.565 1.00 0.47 H new ATOM 0 HH11 ARG B 203 9.307 8.169 -2.419 1.00 0.60 H new ATOM 0 HH12 ARG B 203 9.460 8.615 -4.122 1.00 0.60 H new ATOM 0 HH21 ARG B 203 5.995 8.427 -4.760 1.00 0.79 H new ATOM 0 HH22 ARG B 203 7.590 8.761 -5.442 1.00 0.79 H new ATOM 1158 N LEU B 204 3.930 4.912 1.935 1.00 0.08 N ATOM 1159 CA LEU B 204 2.543 4.491 1.754 1.00 0.08 C ATOM 1160 C LEU B 204 1.652 5.017 2.879 1.00 0.08 C ATOM 1161 O LEU B 204 0.537 5.461 2.631 1.00 0.08 O ATOM 1162 CB LEU B 204 2.443 2.965 1.689 1.00 0.08 C ATOM 1163 CG LEU B 204 2.958 2.324 0.398 1.00 0.08 C ATOM 1164 CD1 LEU B 204 3.037 0.813 0.549 1.00 0.09 C ATOM 1165 CD2 LEU B 204 2.057 2.687 -0.772 1.00 0.09 C ATOM 0 H LEU B 204 4.586 4.146 2.086 1.00 0.08 H new ATOM 0 HA LEU B 204 2.195 4.912 0.811 1.00 0.08 H new ATOM 0 HB2 LEU B 204 2.998 2.546 2.528 1.00 0.08 H new ATOM 0 HB3 LEU B 204 1.399 2.681 1.824 1.00 0.08 H new ATOM 0 HG LEU B 204 3.959 2.708 0.200 1.00 0.08 H new ATOM 0 HD11 LEU B 204 3.405 0.373 -0.378 1.00 0.09 H new ATOM 0 HD12 LEU B 204 3.717 0.564 1.364 1.00 0.09 H new ATOM 0 HD13 LEU B 204 2.046 0.417 0.770 1.00 0.09 H new ATOM 0 HD21 LEU B 204 2.438 2.223 -1.682 1.00 0.09 H new ATOM 0 HD22 LEU B 204 1.046 2.329 -0.578 1.00 0.09 H new ATOM 0 HD23 LEU B 204 2.041 3.770 -0.896 1.00 0.09 H new ATOM 1177 N GLN B 205 2.151 4.971 4.111 1.00 0.10 N ATOM 1178 CA GLN B 205 1.389 5.452 5.267 1.00 0.12 C ATOM 1179 C GLN B 205 1.221 6.966 5.219 1.00 0.11 C ATOM 1180 O GLN B 205 0.113 7.493 5.391 1.00 0.13 O ATOM 1181 CB GLN B 205 2.069 5.048 6.574 1.00 0.17 C ATOM 1182 CG GLN B 205 1.991 3.561 6.864 1.00 0.65 C ATOM 1183 CD GLN B 205 2.706 3.173 8.143 1.00 0.76 C ATOM 1184 OE1 GLN B 205 2.798 3.961 9.084 1.00 1.30 O ATOM 1185 NE2 GLN B 205 3.209 1.952 8.186 1.00 0.81 N ATOM 0 H GLN B 205 3.077 4.607 4.338 1.00 0.10 H new ATOM 0 HA GLN B 205 0.403 4.990 5.226 1.00 0.12 H new ATOM 0 HB2 GLN B 205 3.116 5.348 6.537 1.00 0.17 H new ATOM 0 HB3 GLN B 205 1.609 5.595 7.397 1.00 0.17 H new ATOM 0 HG2 GLN B 205 0.945 3.264 6.934 1.00 0.65 H new ATOM 0 HG3 GLN B 205 2.424 3.010 6.029 1.00 0.65 H new ATOM 0 HE21 GLN B 205 3.110 1.331 7.383 1.00 0.81 H new ATOM 0 HE22 GLN B 205 3.696 1.630 9.022 1.00 0.81 H new ATOM 1194 N LYS B 206 2.324 7.664 4.981 1.00 0.10 N ATOM 1195 CA LYS B 206 2.300 9.110 4.867 1.00 0.11 C ATOM 1196 C LYS B 206 1.380 9.518 3.729 1.00 0.09 C ATOM 1197 O LYS B 206 0.521 10.385 3.883 1.00 0.09 O ATOM 1198 CB LYS B 206 3.714 9.639 4.628 1.00 0.14 C ATOM 1199 CG LYS B 206 3.779 11.141 4.435 1.00 0.20 C ATOM 1200 CD LYS B 206 5.209 11.613 4.242 1.00 0.32 C ATOM 1201 CE LYS B 206 5.271 13.117 4.055 1.00 0.93 C ATOM 1202 NZ LYS B 206 6.665 13.603 3.896 1.00 1.52 N ATOM 0 H LYS B 206 3.248 7.247 4.863 1.00 0.10 H new ATOM 0 HA LYS B 206 1.923 9.539 5.795 1.00 0.11 H new ATOM 0 HB2 LYS B 206 4.343 9.363 5.474 1.00 0.14 H new ATOM 0 HB3 LYS B 206 4.131 9.150 3.748 1.00 0.14 H new ATOM 0 HG2 LYS B 206 3.181 11.424 3.569 1.00 0.20 H new ATOM 0 HG3 LYS B 206 3.343 11.640 5.301 1.00 0.20 H new ATOM 0 HD2 LYS B 206 5.809 11.327 5.106 1.00 0.32 H new ATOM 0 HD3 LYS B 206 5.644 11.118 3.374 1.00 0.32 H new ATOM 0 HE2 LYS B 206 4.688 13.397 3.178 1.00 0.93 H new ATOM 0 HE3 LYS B 206 4.812 13.608 4.913 1.00 0.93 H new ATOM 0 HZ1 LYS B 206 6.661 14.635 3.771 1.00 1.52 H new ATOM 0 HZ2 LYS B 206 7.216 13.359 4.743 1.00 1.52 H new ATOM 0 HZ3 LYS B 206 7.096 13.155 3.062 1.00 1.52 H new ATOM 1216 N GLY B 207 1.562 8.868 2.592 1.00 0.10 N ATOM 1217 CA GLY B 207 0.721 9.109 1.447 1.00 0.10 C ATOM 1218 C GLY B 207 -0.741 8.842 1.721 1.00 0.08 C ATOM 1219 O GLY B 207 -1.596 9.579 1.252 1.00 0.09 O ATOM 0 H GLY B 207 2.289 8.168 2.444 1.00 0.10 H new ATOM 0 HA2 GLY B 207 0.842 10.144 1.126 1.00 0.10 H new ATOM 0 HA3 GLY B 207 1.051 8.478 0.621 1.00 0.10 H new ATOM 1223 N TRP B 208 -1.031 7.791 2.468 1.00 0.08 N ATOM 1224 CA TRP B 208 -2.403 7.488 2.855 1.00 0.08 C ATOM 1225 C TRP B 208 -2.991 8.649 3.651 1.00 0.09 C ATOM 1226 O TRP B 208 -4.174 8.969 3.528 1.00 0.11 O ATOM 1227 CB TRP B 208 -2.455 6.198 3.678 1.00 0.09 C ATOM 1228 CG TRP B 208 -3.842 5.793 4.073 1.00 0.08 C ATOM 1229 CD1 TRP B 208 -4.454 6.020 5.272 1.00 0.09 C ATOM 1230 CD2 TRP B 208 -4.791 5.089 3.266 1.00 0.10 C ATOM 1231 NE1 TRP B 208 -5.727 5.507 5.255 1.00 0.12 N ATOM 1232 CE2 TRP B 208 -5.957 4.928 4.037 1.00 0.12 C ATOM 1233 CE3 TRP B 208 -4.770 4.582 1.965 1.00 0.12 C ATOM 1234 CZ2 TRP B 208 -7.090 4.282 3.550 1.00 0.15 C ATOM 1235 CZ3 TRP B 208 -5.894 3.940 1.483 1.00 0.14 C ATOM 1236 CH2 TRP B 208 -7.040 3.796 2.274 1.00 0.16 C ATOM 0 H TRP B 208 -0.337 7.132 2.820 1.00 0.08 H new ATOM 0 HA TRP B 208 -2.997 7.344 1.952 1.00 0.08 H new ATOM 0 HB2 TRP B 208 -2.000 5.392 3.103 1.00 0.09 H new ATOM 0 HB3 TRP B 208 -1.853 6.327 4.578 1.00 0.09 H new ATOM 0 HD1 TRP B 208 -4.003 6.529 6.111 1.00 0.09 H new ATOM 0 HE1 TRP B 208 -6.394 5.550 6.026 1.00 0.12 H new ATOM 0 HE3 TRP B 208 -3.891 4.690 1.347 1.00 0.12 H new ATOM 0 HZ2 TRP B 208 -7.975 4.169 4.158 1.00 0.15 H new ATOM 0 HZ3 TRP B 208 -5.889 3.542 0.479 1.00 0.14 H new ATOM 0 HH2 TRP B 208 -7.903 3.290 1.867 1.00 0.16 H new ATOM 1247 N SER B 209 -2.151 9.279 4.459 1.00 0.10 N ATOM 1248 CA SER B 209 -2.559 10.427 5.255 1.00 0.12 C ATOM 1249 C SER B 209 -2.695 11.684 4.389 1.00 0.12 C ATOM 1250 O SER B 209 -3.453 12.598 4.714 1.00 0.16 O ATOM 1251 CB SER B 209 -1.535 10.666 6.363 1.00 0.15 C ATOM 1252 OG SER B 209 -1.319 9.487 7.126 1.00 1.18 O ATOM 0 H SER B 209 -1.174 9.011 4.581 1.00 0.10 H new ATOM 0 HA SER B 209 -3.534 10.214 5.693 1.00 0.12 H new ATOM 0 HB2 SER B 209 -0.593 10.997 5.926 1.00 0.15 H new ATOM 0 HB3 SER B 209 -1.882 11.467 7.016 1.00 0.15 H new ATOM 0 HG SER B 209 -0.840 8.828 6.581 1.00 1.18 H new ATOM 1258 N LEU B 210 -1.965 11.721 3.283 1.00 0.10 N ATOM 1259 CA LEU B 210 -1.972 12.887 2.404 1.00 0.11 C ATOM 1260 C LEU B 210 -3.118 12.819 1.399 1.00 0.11 C ATOM 1261 O LEU B 210 -3.742 13.829 1.079 1.00 0.12 O ATOM 1262 CB LEU B 210 -0.646 12.992 1.651 1.00 0.10 C ATOM 1263 CG LEU B 210 0.600 13.131 2.527 1.00 0.11 C ATOM 1264 CD1 LEU B 210 1.850 13.149 1.665 1.00 0.11 C ATOM 1265 CD2 LEU B 210 0.522 14.390 3.375 1.00 0.15 C ATOM 0 H LEU B 210 -1.361 10.960 2.972 1.00 0.10 H new ATOM 0 HA LEU B 210 -2.110 13.769 3.030 1.00 0.11 H new ATOM 0 HB2 LEU B 210 -0.532 12.106 1.026 1.00 0.10 H new ATOM 0 HB3 LEU B 210 -0.696 13.851 0.981 1.00 0.10 H new ATOM 0 HG LEU B 210 0.649 12.271 3.195 1.00 0.11 H new ATOM 0 HD11 LEU B 210 2.729 13.248 2.301 1.00 0.11 H new ATOM 0 HD12 LEU B 210 1.915 12.220 1.099 1.00 0.11 H new ATOM 0 HD13 LEU B 210 1.804 13.992 0.975 1.00 0.11 H new ATOM 0 HD21 LEU B 210 1.418 14.470 3.991 1.00 0.15 H new ATOM 0 HD22 LEU B 210 0.449 15.262 2.725 1.00 0.15 H new ATOM 0 HD23 LEU B 210 -0.357 14.342 4.018 1.00 0.15 H new ATOM 1277 N ALA B 211 -3.398 11.618 0.920 1.00 0.11 N ATOM 1278 CA ALA B 211 -4.370 11.407 -0.143 1.00 0.14 C ATOM 1279 C ALA B 211 -5.785 11.264 0.394 1.00 0.23 C ATOM 1280 O ALA B 211 -6.589 10.515 -0.160 1.00 0.37 O ATOM 1281 CB ALA B 211 -3.994 10.174 -0.948 1.00 0.20 C ATOM 0 H ALA B 211 -2.959 10.761 1.256 1.00 0.11 H new ATOM 0 HA ALA B 211 -4.352 12.288 -0.785 1.00 0.14 H new ATOM 0 HB1 ALA B 211 -4.725 10.021 -1.742 1.00 0.20 H new ATOM 0 HB2 ALA B 211 -3.006 10.313 -1.386 1.00 0.20 H new ATOM 0 HB3 ALA B 211 -3.981 9.302 -0.294 1.00 0.20 H new ATOM 1287 N LYS B 212 -6.088 11.970 1.471 1.00 0.28 N ATOM 1288 CA LYS B 212 -7.437 11.983 2.013 1.00 0.43 C ATOM 1289 C LYS B 212 -8.346 12.807 1.107 1.00 0.71 C ATOM 1290 O LYS B 212 -8.292 14.053 1.188 1.00 1.30 O ATOM 1291 CB LYS B 212 -7.445 12.560 3.431 1.00 0.42 C ATOM 1292 CG LYS B 212 -6.583 11.781 4.414 1.00 1.07 C ATOM 1293 CD LYS B 212 -6.647 12.367 5.817 1.00 1.04 C ATOM 1294 CE LYS B 212 -8.045 12.269 6.408 1.00 1.86 C ATOM 1295 NZ LYS B 212 -8.098 12.787 7.801 1.00 2.34 N ATOM 1296 OXT LYS B 212 -9.098 12.213 0.304 1.00 1.13 O ATOM 0 H LYS B 212 -5.419 12.541 1.987 1.00 0.28 H new ATOM 0 HA LYS B 212 -7.806 10.958 2.059 1.00 0.43 H new ATOM 0 HB2 LYS B 212 -7.097 13.592 3.395 1.00 0.42 H new ATOM 0 HB3 LYS B 212 -8.471 12.582 3.799 1.00 0.42 H new ATOM 0 HG2 LYS B 212 -6.911 10.742 4.440 1.00 1.07 H new ATOM 0 HG3 LYS B 212 -5.549 11.780 4.068 1.00 1.07 H new ATOM 0 HD2 LYS B 212 -5.942 11.842 6.462 1.00 1.04 H new ATOM 0 HD3 LYS B 212 -6.337 13.412 5.789 1.00 1.04 H new ATOM 0 HE2 LYS B 212 -8.742 12.830 5.786 1.00 1.86 H new ATOM 0 HE3 LYS B 212 -8.372 11.229 6.395 1.00 1.86 H new ATOM 0 HZ1 LYS B 212 -9.068 12.702 8.166 1.00 2.34 H new ATOM 0 HZ2 LYS B 212 -7.452 12.235 8.401 1.00 2.34 H new ATOM 0 HZ3 LYS B 212 -7.811 13.786 7.811 1.00 2.34 H new