USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 228 ASN : amide:sc= 0.491 K(o=0.61,f=-0.23) USER MOD Set 1.2: A 229 THR OG1 : rot 42:sc= 0.121 USER MOD Single : A 233 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.0031) USER MOD Single : A 235 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.42) USER MOD Single : A 236 ASN : amide:sc= 0.885 K(o=0.89,f=-0.59) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= -1 K(o=-1,f=-0.0069) USER MOD Single : A 246 LYS NZ :NH3+ -119:sc= -1.62 (180deg=-6.61!) USER MOD Single : A 250 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.19) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 180:sc= -1.85! USER MOD Single : A 266 LYS NZ :NH3+ -118:sc= -0.0516 (180deg=-2.11!) USER MOD Single : A 268 THR OG1 : rot 180:sc= 0 USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 271 ASN : amide:sc= -3.19! C(o=-3.2!,f=-12!) USER MOD Single : A 272 MET CE :methyl 150:sc= -0.374 (180deg=-1.5!) USER MOD Single : A 273 SER OG : rot 180:sc= 0 USER MOD Single : A 275 GLN : amide:sc= -3.79! K(o=-3.8!,f=-0.63) USER MOD Single : A 280 CYS SG : rot 94:sc= 0.696 USER MOD Single : A 281 ASN : amide:sc= -2.03! K(o=-2!,f=-0.053) USER MOD Single : A 283 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0565) USER MOD Single : A 286 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-0.27) USER MOD Single : A 290 THR OG1 : rot 180:sc= -0.435 USER MOD Single : A 291 HIS : no HE2:sc= -1.77 K(o=-1.8,f=-2.5) USER MOD Single : A 297 GLN : amide:sc= 1.21 K(o=1.2,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 97 N ILE A 227 -10.540 1.670 3.203 1.00 1.37 N ATOM 98 CA ILE A 227 -10.390 0.229 3.304 1.00 1.12 C ATOM 99 C ILE A 227 -9.834 -0.195 4.668 1.00 1.27 C ATOM 100 O ILE A 227 -8.635 -0.092 4.934 1.00 1.47 O ATOM 101 CB ILE A 227 -9.498 -0.331 2.161 1.00 0.97 C ATOM 102 CG1 ILE A 227 -10.177 -0.157 0.787 1.00 1.20 C ATOM 103 CG2 ILE A 227 -9.175 -1.800 2.396 1.00 1.14 C ATOM 104 CD1 ILE A 227 -10.187 1.267 0.279 1.00 1.47 C ATOM 0 HA ILE A 227 -11.388 -0.197 3.202 1.00 1.12 H new ATOM 0 HB ILE A 227 -8.569 0.239 2.162 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -9.666 -0.787 0.059 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -11.204 -0.515 0.854 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -8.550 -2.170 1.583 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -8.643 -1.909 3.341 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -10.100 -2.375 2.432 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -10.682 1.304 -0.691 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -10.724 1.901 0.984 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -9.162 1.624 0.177 1.00 1.47 H new ATOM 116 N ASN A 228 -10.741 -0.620 5.534 1.00 1.52 N ATOM 117 CA ASN A 228 -10.396 -1.230 6.810 1.00 1.82 C ATOM 118 C ASN A 228 -11.247 -2.474 7.018 1.00 1.80 C ATOM 119 O ASN A 228 -12.458 -2.419 6.806 1.00 2.07 O ATOM 120 CB ASN A 228 -10.619 -0.247 7.967 1.00 2.42 C ATOM 121 CG ASN A 228 -10.563 -0.928 9.327 1.00 3.09 C ATOM 122 OD1 ASN A 228 -11.581 -1.384 9.852 1.00 3.44 O ATOM 123 ND2 ASN A 228 -9.377 -1.003 9.907 1.00 3.83 N ATOM 0 H ASN A 228 -11.745 -0.551 5.370 1.00 1.52 H new ATOM 0 HA ASN A 228 -9.340 -1.501 6.794 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -9.863 0.537 7.925 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -11.588 0.238 7.846 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -9.283 -1.450 10.819 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -8.556 -0.614 9.442 1.00 3.83 H new ATOM 130 N THR A 229 -10.591 -3.596 7.374 1.00 1.66 N ATOM 131 CA THR A 229 -11.257 -4.892 7.640 1.00 1.67 C ATOM 132 C THR A 229 -11.172 -5.936 6.480 1.00 1.68 C ATOM 133 O THR A 229 -11.077 -7.133 6.767 1.00 2.22 O ATOM 134 CB THR A 229 -12.736 -4.719 8.076 1.00 1.80 C ATOM 135 OG1 THR A 229 -12.811 -3.924 9.274 1.00 1.91 O ATOM 136 CG2 THR A 229 -13.415 -6.059 8.327 1.00 1.88 C ATOM 0 H THR A 229 -9.578 -3.632 7.486 1.00 1.66 H new ATOM 0 HA THR A 229 -10.677 -5.303 8.467 1.00 1.67 H new ATOM 0 HB THR A 229 -13.255 -4.218 7.259 1.00 1.80 H new ATOM 0 HG1 THR A 229 -12.181 -3.176 9.210 1.00 1.91 H new ATOM 0 HG21 THR A 229 -14.449 -5.892 8.630 1.00 1.88 H new ATOM 0 HG22 THR A 229 -13.396 -6.653 7.413 1.00 1.88 H new ATOM 0 HG23 THR A 229 -12.887 -6.592 9.117 1.00 1.88 H new ATOM 144 N PRO A 230 -11.166 -5.554 5.173 1.00 1.34 N ATOM 145 CA PRO A 230 -11.378 -6.507 4.080 1.00 1.46 C ATOM 146 C PRO A 230 -10.128 -7.281 3.668 1.00 1.44 C ATOM 147 O PRO A 230 -8.999 -6.844 3.892 1.00 1.32 O ATOM 148 CB PRO A 230 -11.830 -5.622 2.907 1.00 1.46 C ATOM 149 CG PRO A 230 -11.796 -4.215 3.410 1.00 1.48 C ATOM 150 CD PRO A 230 -10.914 -4.226 4.617 1.00 1.35 C ATOM 0 HA PRO A 230 -12.091 -7.273 4.386 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -11.169 -5.745 2.049 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -12.833 -5.894 2.578 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -11.406 -3.539 2.649 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -12.798 -3.867 3.663 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -9.865 -4.087 4.356 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -11.175 -3.434 5.319 1.00 1.35 H new ATOM 158 N LEU A 231 -10.361 -8.443 3.071 1.00 1.78 N ATOM 159 CA LEU A 231 -9.309 -9.221 2.434 1.00 1.82 C ATOM 160 C LEU A 231 -9.012 -8.616 1.060 1.00 1.52 C ATOM 161 O LEU A 231 -9.797 -7.799 0.576 1.00 1.52 O ATOM 162 CB LEU A 231 -9.734 -10.694 2.300 1.00 2.34 C ATOM 163 CG LEU A 231 -9.723 -11.510 3.597 1.00 2.79 C ATOM 164 CD1 LEU A 231 -10.837 -11.071 4.533 1.00 3.30 C ATOM 165 CD2 LEU A 231 -9.841 -12.994 3.286 1.00 3.42 C ATOM 0 H LEU A 231 -11.285 -8.872 3.015 1.00 1.78 H new ATOM 0 HA LEU A 231 -8.408 -9.191 3.046 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -10.740 -10.726 1.881 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -9.074 -11.180 1.581 1.00 2.34 H new ATOM 0 HG LEU A 231 -8.774 -11.331 4.102 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -10.803 -11.668 5.444 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -10.708 -10.018 4.784 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -11.800 -11.211 4.043 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -9.832 -13.562 4.216 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -10.774 -13.181 2.755 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -9.001 -13.303 2.664 1.00 3.42 H new ATOM 177 N PRO A 232 -7.903 -9.012 0.395 1.00 1.40 N ATOM 178 CA PRO A 232 -7.448 -8.362 -0.843 1.00 1.28 C ATOM 179 C PRO A 232 -8.541 -8.269 -1.910 1.00 1.55 C ATOM 180 O PRO A 232 -9.161 -9.272 -2.262 1.00 1.84 O ATOM 181 CB PRO A 232 -6.302 -9.260 -1.334 1.00 1.40 C ATOM 182 CG PRO A 232 -6.380 -10.503 -0.516 1.00 1.45 C ATOM 183 CD PRO A 232 -7.005 -10.105 0.787 1.00 1.54 C ATOM 0 HA PRO A 232 -7.151 -7.330 -0.656 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -6.408 -9.483 -2.396 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -5.338 -8.768 -1.206 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -6.978 -11.263 -1.019 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -5.389 -10.929 -0.359 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -7.549 -10.932 1.244 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -6.259 -9.776 1.510 1.00 1.54 H new ATOM 191 N ASN A 233 -8.759 -7.043 -2.407 1.00 1.58 N ATOM 192 CA ASN A 233 -9.764 -6.754 -3.442 1.00 2.01 C ATOM 193 C ASN A 233 -11.183 -6.869 -2.889 1.00 1.76 C ATOM 194 O ASN A 233 -11.664 -7.964 -2.605 1.00 2.31 O ATOM 195 CB ASN A 233 -9.595 -7.659 -4.674 1.00 2.67 C ATOM 196 CG ASN A 233 -8.421 -7.259 -5.558 1.00 3.38 C ATOM 197 OD1 ASN A 233 -8.448 -7.462 -6.774 1.00 3.96 O ATOM 198 ND2 ASN A 233 -7.382 -6.689 -4.964 1.00 3.82 N ATOM 0 H ASN A 233 -8.241 -6.219 -2.101 1.00 1.58 H new ATOM 0 HA ASN A 233 -9.601 -5.724 -3.759 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -9.458 -8.689 -4.344 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -10.511 -7.633 -5.264 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -6.573 -6.404 -5.515 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -7.392 -6.536 -3.956 1.00 3.82 H new ATOM 205 N LEU A 234 -11.858 -5.729 -2.744 1.00 1.61 N ATOM 206 CA LEU A 234 -13.199 -5.706 -2.183 1.00 1.90 C ATOM 207 C LEU A 234 -14.181 -5.134 -3.194 1.00 1.69 C ATOM 208 O LEU A 234 -14.913 -5.856 -3.868 1.00 1.91 O ATOM 209 CB LEU A 234 -13.225 -4.825 -0.927 1.00 2.77 C ATOM 210 CG LEU A 234 -14.280 -5.169 0.140 1.00 3.77 C ATOM 211 CD1 LEU A 234 -14.418 -4.015 1.116 1.00 4.30 C ATOM 212 CD2 LEU A 234 -15.635 -5.498 -0.476 1.00 4.49 C ATOM 0 H LEU A 234 -11.495 -4.813 -3.008 1.00 1.61 H new ATOM 0 HA LEU A 234 -13.483 -6.727 -1.929 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -12.241 -4.871 -0.459 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -13.382 -3.793 -1.239 1.00 2.77 H new ATOM 0 HG LEU A 234 -13.938 -6.060 0.667 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -15.166 -4.263 1.869 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -13.460 -3.833 1.602 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -14.728 -3.119 0.578 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -16.347 -5.734 0.315 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -15.995 -4.640 -1.043 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -15.534 -6.356 -1.141 1.00 4.49 H new ATOM 224 N GLN A 235 -14.161 -3.817 -3.289 1.00 1.58 N ATOM 225 CA GLN A 235 -15.163 -3.076 -4.018 1.00 1.78 C ATOM 226 C GLN A 235 -14.609 -2.666 -5.365 1.00 1.59 C ATOM 227 O GLN A 235 -15.203 -2.929 -6.409 1.00 1.97 O ATOM 228 CB GLN A 235 -15.560 -1.863 -3.185 1.00 2.17 C ATOM 229 CG GLN A 235 -16.848 -1.189 -3.630 1.00 2.56 C ATOM 230 CD GLN A 235 -17.989 -2.170 -3.825 1.00 3.18 C ATOM 231 OE1 GLN A 235 -18.216 -2.658 -4.926 1.00 3.71 O ATOM 232 NE2 GLN A 235 -18.700 -2.480 -2.756 1.00 3.72 N ATOM 0 H GLN A 235 -13.444 -3.233 -2.859 1.00 1.58 H new ATOM 0 HA GLN A 235 -16.047 -3.688 -4.196 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -15.666 -2.171 -2.145 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -14.751 -1.133 -3.220 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -17.138 -0.445 -2.888 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -16.670 -0.656 -4.564 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -18.481 -2.053 -1.856 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -19.468 -3.147 -2.830 1.00 3.72 H new ATOM 241 N ASN A 236 -13.452 -2.031 -5.329 1.00 1.40 N ATOM 242 CA ASN A 236 -12.714 -1.748 -6.548 1.00 1.65 C ATOM 243 C ASN A 236 -11.559 -2.726 -6.613 1.00 1.69 C ATOM 244 O ASN A 236 -11.246 -3.290 -7.660 1.00 2.36 O ATOM 245 CB ASN A 236 -12.217 -0.293 -6.575 1.00 2.09 C ATOM 246 CG ASN A 236 -11.393 0.031 -7.814 1.00 2.95 C ATOM 247 OD1 ASN A 236 -11.587 -0.560 -8.877 1.00 3.67 O ATOM 248 ND2 ASN A 236 -10.484 0.990 -7.696 1.00 3.34 N ATOM 0 H ASN A 236 -13.004 -1.702 -4.474 1.00 1.40 H new ATOM 0 HA ASN A 236 -13.360 -1.866 -7.418 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -13.074 0.379 -6.529 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -11.616 -0.104 -5.686 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -9.919 1.259 -8.501 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -10.350 1.458 -6.800 1.00 3.34 H new ATOM 255 N GLY A 237 -10.944 -2.934 -5.460 1.00 1.32 N ATOM 256 CA GLY A 237 -9.990 -4.000 -5.303 1.00 1.67 C ATOM 257 C GLY A 237 -8.703 -3.504 -4.698 1.00 1.38 C ATOM 258 O GLY A 237 -8.414 -3.777 -3.533 1.00 1.70 O ATOM 0 H GLY A 237 -11.095 -2.373 -4.622 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -10.414 -4.779 -4.670 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -9.786 -4.453 -6.273 1.00 1.67 H new ATOM 262 N PRO A 238 -7.916 -2.766 -5.477 1.00 0.90 N ATOM 263 CA PRO A 238 -6.689 -2.142 -5.021 1.00 0.65 C ATOM 264 C PRO A 238 -6.910 -0.728 -4.562 1.00 0.50 C ATOM 265 O PRO A 238 -7.944 -0.125 -4.834 1.00 0.76 O ATOM 266 CB PRO A 238 -5.864 -2.095 -6.288 1.00 0.65 C ATOM 267 CG PRO A 238 -6.880 -1.801 -7.336 1.00 0.96 C ATOM 268 CD PRO A 238 -8.151 -2.480 -6.901 1.00 0.88 C ATOM 0 HA PRO A 238 -6.245 -2.679 -4.182 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.096 -1.323 -6.242 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -5.354 -3.040 -6.473 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -7.030 -0.726 -7.440 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -6.554 -2.173 -8.307 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -9.019 -1.836 -7.043 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -8.334 -3.392 -7.469 1.00 0.88 H new ATOM 276 N PHE A 239 -5.938 -0.205 -3.876 1.00 0.37 N ATOM 277 CA PHE A 239 -5.880 1.211 -3.652 1.00 0.28 C ATOM 278 C PHE A 239 -4.506 1.713 -3.976 1.00 0.27 C ATOM 279 O PHE A 239 -3.638 0.949 -4.387 1.00 0.51 O ATOM 280 CB PHE A 239 -6.252 1.591 -2.214 1.00 0.34 C ATOM 281 CG PHE A 239 -5.909 0.551 -1.209 1.00 0.41 C ATOM 282 CD1 PHE A 239 -4.603 0.319 -0.824 1.00 0.35 C ATOM 283 CD2 PHE A 239 -6.913 -0.194 -0.654 1.00 0.90 C ATOM 284 CE1 PHE A 239 -4.314 -0.653 0.109 1.00 0.35 C ATOM 285 CE2 PHE A 239 -6.636 -1.166 0.280 1.00 1.09 C ATOM 286 CZ PHE A 239 -5.333 -1.395 0.661 1.00 0.73 C ATOM 0 H PHE A 239 -5.173 -0.737 -3.461 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.615 1.679 -4.307 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -5.744 2.519 -1.951 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.323 1.789 -2.166 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -3.804 0.903 -1.257 1.00 0.35 H new ATOM 0 HD2 PHE A 239 -7.936 -0.017 -0.952 1.00 0.90 H new ATOM 0 HE1 PHE A 239 -3.291 -0.832 0.406 1.00 0.35 H new ATOM 0 HE2 PHE A 239 -7.437 -1.747 0.712 1.00 1.09 H new ATOM 0 HZ PHE A 239 -5.111 -2.157 1.393 1.00 0.73 H new ATOM 296 N TYR A 240 -4.310 2.990 -3.796 1.00 0.16 N ATOM 297 CA TYR A 240 -2.998 3.557 -3.947 1.00 0.21 C ATOM 298 C TYR A 240 -2.596 4.085 -2.597 1.00 0.21 C ATOM 299 O TYR A 240 -3.447 4.245 -1.745 1.00 0.36 O ATOM 300 CB TYR A 240 -2.996 4.652 -5.017 1.00 0.25 C ATOM 301 CG TYR A 240 -3.455 4.161 -6.377 1.00 0.25 C ATOM 302 CD1 TYR A 240 -2.875 3.041 -6.961 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.461 4.815 -7.077 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.284 2.586 -8.197 1.00 0.38 C ATOM 305 CE2 TYR A 240 -4.876 4.363 -8.318 1.00 0.46 C ATOM 306 CZ TYR A 240 -4.282 3.247 -8.872 1.00 0.45 C ATOM 307 OH TYR A 240 -4.688 2.789 -10.106 1.00 0.59 O ATOM 0 H TYR A 240 -5.040 3.657 -3.545 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.281 2.809 -4.285 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.644 5.467 -4.695 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -1.990 5.061 -5.107 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -2.089 2.517 -6.437 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -4.926 5.689 -6.647 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -2.821 1.713 -8.633 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -5.660 4.881 -8.850 1.00 0.46 H new ATOM 0 HH TYR A 240 -5.402 3.365 -10.450 1.00 0.59 H new ATOM 317 N ALA A 241 -1.325 4.275 -2.352 1.00 0.17 N ATOM 318 CA ALA A 241 -0.915 4.882 -1.101 1.00 0.19 C ATOM 319 C ALA A 241 0.331 5.720 -1.290 1.00 0.15 C ATOM 320 O ALA A 241 1.335 5.258 -1.834 1.00 0.19 O ATOM 321 CB ALA A 241 -0.708 3.837 -0.012 1.00 0.35 C ATOM 0 H ALA A 241 -0.565 4.026 -2.985 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.722 5.539 -0.775 1.00 0.19 H new ATOM 0 HB1 ALA A 241 -0.401 4.329 0.911 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.640 3.298 0.157 1.00 0.35 H new ATOM 0 HB3 ALA A 241 0.066 3.135 -0.323 1.00 0.35 H new ATOM 327 N ARG A 242 0.248 6.959 -0.853 1.00 0.16 N ATOM 328 CA ARG A 242 1.365 7.868 -0.900 1.00 0.16 C ATOM 329 C ARG A 242 2.311 7.547 0.231 1.00 0.14 C ATOM 330 O ARG A 242 2.001 7.765 1.400 1.00 0.23 O ATOM 331 CB ARG A 242 0.893 9.319 -0.763 1.00 0.29 C ATOM 332 CG ARG A 242 2.029 10.333 -0.682 1.00 0.33 C ATOM 333 CD ARG A 242 2.566 10.684 -2.061 1.00 0.79 C ATOM 334 NE ARG A 242 1.503 11.113 -2.971 1.00 1.19 N ATOM 335 CZ ARG A 242 1.638 11.162 -4.298 1.00 1.66 C ATOM 336 NH1 ARG A 242 2.813 10.902 -4.860 1.00 1.90 N ATOM 337 NH2 ARG A 242 0.609 11.499 -5.062 1.00 2.05 N ATOM 0 H ARG A 242 -0.600 7.362 -0.455 1.00 0.16 H new ATOM 0 HA ARG A 242 1.868 7.754 -1.860 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.258 9.566 -1.614 1.00 0.29 H new ATOM 0 HB3 ARG A 242 0.276 9.407 0.131 1.00 0.29 H new ATOM 0 HG2 ARG A 242 1.675 11.238 -0.188 1.00 0.33 H new ATOM 0 HG3 ARG A 242 2.835 9.929 -0.069 1.00 0.33 H new ATOM 0 HD2 ARG A 242 3.307 11.478 -1.970 1.00 0.79 H new ATOM 0 HD3 ARG A 242 3.076 9.818 -2.482 1.00 0.79 H new ATOM 0 HE ARG A 242 0.608 11.390 -2.568 1.00 1.19 H new ATOM 0 HH11 ARG A 242 3.616 10.664 -4.277 1.00 1.90 H new ATOM 0 HH12 ARG A 242 2.913 10.940 -5.874 1.00 1.90 H new ATOM 0 HH21 ARG A 242 -0.291 11.722 -4.636 1.00 2.05 H new ATOM 0 HH22 ARG A 242 0.717 11.535 -6.076 1.00 2.05 H new ATOM 351 N VAL A 243 3.447 6.999 -0.113 1.00 0.10 N ATOM 352 CA VAL A 243 4.462 6.739 0.865 1.00 0.14 C ATOM 353 C VAL A 243 5.127 8.043 1.255 1.00 0.11 C ATOM 354 O VAL A 243 5.844 8.657 0.463 1.00 0.15 O ATOM 355 CB VAL A 243 5.503 5.731 0.349 1.00 0.20 C ATOM 356 CG1 VAL A 243 5.941 6.055 -1.066 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.688 5.684 1.285 1.00 0.32 C ATOM 0 H VAL A 243 3.690 6.725 -1.065 1.00 0.10 H new ATOM 0 HA VAL A 243 3.992 6.293 1.742 1.00 0.14 H new ATOM 0 HB VAL A 243 5.037 4.746 0.323 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.676 5.321 -1.396 1.00 0.23 H new ATOM 0 HG12 VAL A 243 5.077 6.027 -1.730 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.385 7.050 -1.091 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.419 4.967 0.911 1.00 0.32 H new ATOM 0 HG22 VAL A 243 7.145 6.672 1.343 1.00 0.32 H new ATOM 0 HG23 VAL A 243 6.356 5.379 2.277 1.00 0.32 H new ATOM 367 N ILE A 244 4.852 8.491 2.462 1.00 0.13 N ATOM 368 CA ILE A 244 5.418 9.736 2.917 1.00 0.15 C ATOM 369 C ILE A 244 6.737 9.514 3.639 1.00 0.14 C ATOM 370 O ILE A 244 7.465 10.469 3.876 1.00 0.20 O ATOM 371 CB ILE A 244 4.442 10.509 3.819 1.00 0.25 C ATOM 372 CG1 ILE A 244 3.983 9.635 4.987 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.250 10.992 3.004 1.00 0.32 C ATOM 374 CD1 ILE A 244 2.942 10.297 5.856 1.00 0.76 C ATOM 0 H ILE A 244 4.249 8.018 3.135 1.00 0.13 H new ATOM 0 HA ILE A 244 5.608 10.339 2.029 1.00 0.15 H new ATOM 0 HB ILE A 244 4.956 11.378 4.230 1.00 0.25 H new ATOM 0 HG12 ILE A 244 3.579 8.701 4.596 1.00 0.37 H new ATOM 0 HG13 ILE A 244 4.847 9.377 5.600 1.00 0.37 H new ATOM 0 HG21 ILE A 244 2.564 11.538 3.651 1.00 0.32 H new ATOM 0 HG22 ILE A 244 3.597 11.649 2.206 1.00 0.32 H new ATOM 0 HG23 ILE A 244 2.735 10.135 2.570 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.661 9.623 6.665 1.00 0.76 H new ATOM 0 HD12 ILE A 244 3.350 11.217 6.275 1.00 0.76 H new ATOM 0 HD13 ILE A 244 2.062 10.531 5.256 1.00 0.76 H new ATOM 386 N GLN A 245 7.022 8.255 4.006 1.00 0.12 N ATOM 387 CA GLN A 245 8.321 7.869 4.585 1.00 0.14 C ATOM 388 C GLN A 245 8.588 6.381 4.386 1.00 0.14 C ATOM 389 O GLN A 245 7.884 5.537 4.939 1.00 0.17 O ATOM 390 CB GLN A 245 8.387 8.198 6.079 1.00 0.21 C ATOM 391 CG GLN A 245 8.398 9.684 6.371 1.00 0.33 C ATOM 392 CD GLN A 245 8.538 10.007 7.847 1.00 0.54 C ATOM 393 OE1 GLN A 245 8.030 11.024 8.321 1.00 1.19 O ATOM 394 NE2 GLN A 245 9.227 9.150 8.588 1.00 1.06 N ATOM 0 H GLN A 245 6.365 7.480 3.911 1.00 0.12 H new ATOM 0 HA GLN A 245 9.086 8.444 4.063 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.533 7.744 6.581 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.284 7.746 6.503 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.220 10.148 5.826 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.476 10.127 5.995 1.00 0.33 H new ATOM 0 HE21 GLN A 245 9.633 8.318 8.160 1.00 1.06 H new ATOM 0 HE22 GLN A 245 9.350 9.323 9.586 1.00 1.06 H new ATOM 403 N LYS A 246 9.571 6.052 3.558 1.00 0.15 N ATOM 404 CA LYS A 246 9.942 4.660 3.340 1.00 0.16 C ATOM 405 C LYS A 246 11.448 4.453 3.341 1.00 0.22 C ATOM 406 O LYS A 246 12.235 5.401 3.338 1.00 0.29 O ATOM 407 CB LYS A 246 9.371 4.108 2.043 1.00 0.18 C ATOM 408 CG LYS A 246 8.742 2.730 2.204 1.00 0.20 C ATOM 409 CD LYS A 246 7.408 2.817 2.938 1.00 0.29 C ATOM 410 CE LYS A 246 6.372 1.874 2.357 1.00 0.28 C ATOM 411 NZ LYS A 246 5.935 2.281 0.995 1.00 0.36 N ATOM 0 H LYS A 246 10.123 6.726 3.029 1.00 0.15 H new ATOM 0 HA LYS A 246 9.511 4.115 4.180 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.621 4.800 1.660 1.00 0.18 H new ATOM 0 HB3 LYS A 246 10.165 4.053 1.298 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.592 2.279 1.223 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.421 2.079 2.754 1.00 0.20 H new ATOM 0 HD2 LYS A 246 7.559 2.583 3.992 1.00 0.29 H new ATOM 0 HD3 LYS A 246 7.034 3.840 2.889 1.00 0.29 H new ATOM 0 HE2 LYS A 246 6.784 0.866 2.317 1.00 0.28 H new ATOM 0 HE3 LYS A 246 5.506 1.838 3.018 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 4.914 2.479 1.003 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 6.451 3.136 0.706 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 6.134 1.513 0.323 1.00 0.36 H new ATOM 425 N ARG A 247 11.814 3.184 3.358 1.00 0.27 N ATOM 426 CA ARG A 247 13.184 2.745 3.177 1.00 0.37 C ATOM 427 C ARG A 247 13.427 2.772 1.681 1.00 0.27 C ATOM 428 O ARG A 247 12.460 2.712 0.925 1.00 0.21 O ATOM 429 CB ARG A 247 13.292 1.298 3.697 1.00 0.55 C ATOM 430 CG ARG A 247 14.660 0.832 4.195 1.00 0.69 C ATOM 431 CD ARG A 247 15.690 0.641 3.100 1.00 0.72 C ATOM 432 NE ARG A 247 16.897 0.011 3.639 1.00 1.24 N ATOM 433 CZ ARG A 247 17.883 -0.503 2.901 1.00 1.29 C ATOM 434 NH1 ARG A 247 17.836 -0.436 1.582 1.00 1.33 N ATOM 435 NH2 ARG A 247 18.921 -1.082 3.491 1.00 2.10 N ATOM 0 H ARG A 247 11.156 2.418 3.500 1.00 0.27 H new ATOM 0 HA ARG A 247 13.905 3.368 3.706 1.00 0.37 H new ATOM 0 HB2 ARG A 247 12.578 1.178 4.512 1.00 0.55 H new ATOM 0 HB3 ARG A 247 12.978 0.628 2.897 1.00 0.55 H new ATOM 0 HG2 ARG A 247 15.040 1.560 4.912 1.00 0.69 H new ATOM 0 HG3 ARG A 247 14.537 -0.109 4.731 1.00 0.69 H new ATOM 0 HD2 ARG A 247 15.274 0.023 2.304 1.00 0.72 H new ATOM 0 HD3 ARG A 247 15.942 1.604 2.657 1.00 0.72 H new ATOM 0 HE ARG A 247 16.991 -0.039 4.653 1.00 1.24 H new ATOM 0 HH11 ARG A 247 17.043 0.011 1.122 1.00 1.33 H new ATOM 0 HH12 ARG A 247 18.593 -0.831 1.024 1.00 1.33 H new ATOM 0 HH21 ARG A 247 18.965 -1.134 4.509 1.00 2.10 H new ATOM 0 HH22 ARG A 247 19.675 -1.475 2.927 1.00 2.10 H new ATOM 449 N VAL A 248 14.660 2.874 1.228 1.00 0.32 N ATOM 450 CA VAL A 248 14.914 2.605 -0.178 1.00 0.31 C ATOM 451 C VAL A 248 15.564 1.235 -0.281 1.00 0.26 C ATOM 452 O VAL A 248 16.785 1.106 -0.294 1.00 0.30 O ATOM 453 CB VAL A 248 15.823 3.668 -0.833 1.00 0.45 C ATOM 454 CG1 VAL A 248 15.932 3.425 -2.332 1.00 1.12 C ATOM 455 CG2 VAL A 248 15.302 5.071 -0.551 1.00 1.18 C ATOM 0 H VAL A 248 15.475 3.131 1.785 1.00 0.32 H new ATOM 0 HA VAL A 248 13.965 2.637 -0.714 1.00 0.31 H new ATOM 0 HB VAL A 248 16.819 3.583 -0.398 1.00 0.45 H new ATOM 0 HG11 VAL A 248 16.576 4.183 -2.778 1.00 1.12 H new ATOM 0 HG12 VAL A 248 16.357 2.437 -2.511 1.00 1.12 H new ATOM 0 HG13 VAL A 248 14.941 3.480 -2.783 1.00 1.12 H new ATOM 0 HG21 VAL A 248 15.957 5.804 -1.022 1.00 1.18 H new ATOM 0 HG22 VAL A 248 14.295 5.173 -0.955 1.00 1.18 H new ATOM 0 HG23 VAL A 248 15.281 5.242 0.525 1.00 1.18 H new ATOM 465 N PRO A 249 14.730 0.193 -0.315 1.00 0.20 N ATOM 466 CA PRO A 249 15.128 -1.193 -0.332 1.00 0.20 C ATOM 467 C PRO A 249 14.985 -1.820 -1.704 1.00 0.27 C ATOM 468 O PRO A 249 14.497 -1.189 -2.634 1.00 0.34 O ATOM 469 CB PRO A 249 14.134 -1.804 0.664 1.00 0.21 C ATOM 470 CG PRO A 249 12.969 -0.847 0.713 1.00 0.23 C ATOM 471 CD PRO A 249 13.280 0.253 -0.266 1.00 0.22 C ATOM 0 HA PRO A 249 16.177 -1.347 -0.080 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.814 -2.795 0.341 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.587 -1.921 1.648 1.00 0.21 H new ATOM 0 HG2 PRO A 249 12.040 -1.352 0.447 1.00 0.23 H new ATOM 0 HG3 PRO A 249 12.838 -0.446 1.718 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.829 0.074 -1.242 1.00 0.22 H new ATOM 0 HD3 PRO A 249 12.921 1.223 0.078 1.00 0.22 H new ATOM 479 N ASN A 250 15.470 -3.031 -1.853 1.00 0.31 N ATOM 480 CA ASN A 250 15.192 -3.791 -3.046 1.00 0.39 C ATOM 481 C ASN A 250 14.191 -4.898 -2.794 1.00 0.36 C ATOM 482 O ASN A 250 14.046 -5.382 -1.676 1.00 0.35 O ATOM 483 CB ASN A 250 16.465 -4.357 -3.661 1.00 0.51 C ATOM 484 CG ASN A 250 17.388 -5.094 -2.694 1.00 1.13 C ATOM 485 OD1 ASN A 250 18.596 -5.155 -2.918 1.00 1.97 O ATOM 486 ND2 ASN A 250 16.848 -5.653 -1.625 1.00 1.56 N ATOM 0 H ASN A 250 16.055 -3.507 -1.167 1.00 0.31 H new ATOM 0 HA ASN A 250 14.748 -3.096 -3.759 1.00 0.39 H new ATOM 0 HB2 ASN A 250 16.188 -5.040 -4.464 1.00 0.51 H new ATOM 0 HB3 ASN A 250 17.023 -3.539 -4.117 1.00 0.51 H new ATOM 0 HD21 ASN A 250 17.437 -6.152 -0.958 1.00 1.56 H new ATOM 0 HD22 ASN A 250 15.843 -5.585 -1.467 1.00 1.56 H new ATOM 493 N ALA A 251 13.523 -5.296 -3.861 1.00 0.43 N ATOM 494 CA ALA A 251 12.554 -6.389 -3.829 1.00 0.48 C ATOM 495 C ALA A 251 13.230 -7.717 -3.493 1.00 0.53 C ATOM 496 O ALA A 251 12.566 -8.717 -3.226 1.00 0.60 O ATOM 497 CB ALA A 251 11.832 -6.486 -5.165 1.00 0.59 C ATOM 0 H ALA A 251 13.634 -4.871 -4.782 1.00 0.43 H new ATOM 0 HA ALA A 251 11.827 -6.176 -3.046 1.00 0.48 H new ATOM 0 HB1 ALA A 251 11.112 -7.304 -5.131 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.310 -5.550 -5.365 1.00 0.59 H new ATOM 0 HB3 ALA A 251 12.557 -6.673 -5.957 1.00 0.59 H new ATOM 503 N TYR A 252 14.557 -7.720 -3.529 1.00 0.54 N ATOM 504 CA TYR A 252 15.340 -8.890 -3.161 1.00 0.65 C ATOM 505 C TYR A 252 15.506 -8.959 -1.648 1.00 0.60 C ATOM 506 O TYR A 252 16.097 -9.893 -1.109 1.00 0.69 O ATOM 507 CB TYR A 252 16.697 -8.851 -3.859 1.00 0.77 C ATOM 508 CG TYR A 252 16.569 -8.792 -5.362 1.00 1.63 C ATOM 509 CD1 TYR A 252 15.729 -9.655 -6.053 1.00 1.89 C ATOM 510 CD2 TYR A 252 17.299 -7.864 -6.087 1.00 2.46 C ATOM 511 CE1 TYR A 252 15.623 -9.592 -7.430 1.00 2.83 C ATOM 512 CE2 TYR A 252 17.201 -7.793 -7.462 1.00 3.46 C ATOM 513 CZ TYR A 252 16.306 -8.706 -8.126 1.00 3.61 C ATOM 514 OH TYR A 252 16.268 -8.595 -9.501 1.00 4.61 O ATOM 0 H TYR A 252 15.117 -6.916 -3.813 1.00 0.54 H new ATOM 0 HA TYR A 252 14.814 -9.788 -3.485 1.00 0.65 H new ATOM 0 HB2 TYR A 252 17.257 -7.983 -3.510 1.00 0.77 H new ATOM 0 HB3 TYR A 252 17.272 -9.734 -3.580 1.00 0.77 H new ATOM 0 HD1 TYR A 252 15.150 -10.386 -5.507 1.00 1.89 H new ATOM 0 HD2 TYR A 252 17.957 -7.184 -5.567 1.00 2.46 H new ATOM 0 HE1 TYR A 252 14.969 -10.281 -7.944 1.00 2.83 H new ATOM 0 HE2 TYR A 252 17.779 -7.074 -8.024 1.00 3.46 H new ATOM 0 HH TYR A 252 16.857 -7.865 -9.787 1.00 4.61 H new ATOM 524 N ASP A 253 14.986 -7.941 -0.986 1.00 0.50 N ATOM 525 CA ASP A 253 14.902 -7.907 0.463 1.00 0.51 C ATOM 526 C ASP A 253 13.548 -8.407 0.885 1.00 0.48 C ATOM 527 O ASP A 253 12.614 -7.621 1.025 1.00 0.43 O ATOM 528 CB ASP A 253 15.079 -6.489 0.980 1.00 0.49 C ATOM 529 CG ASP A 253 14.959 -6.399 2.491 1.00 0.79 C ATOM 530 OD1 ASP A 253 15.880 -6.864 3.194 1.00 0.85 O ATOM 531 OD2 ASP A 253 13.946 -5.858 2.987 1.00 1.32 O ATOM 0 H ASP A 253 14.608 -7.110 -1.441 1.00 0.50 H new ATOM 0 HA ASP A 253 15.692 -8.535 0.874 1.00 0.51 H new ATOM 0 HB2 ASP A 253 16.056 -6.114 0.674 1.00 0.49 H new ATOM 0 HB3 ASP A 253 14.331 -5.843 0.521 1.00 0.49 H new ATOM 536 N LYS A 254 13.449 -9.709 1.098 1.00 0.55 N ATOM 537 CA LYS A 254 12.171 -10.378 1.199 1.00 0.55 C ATOM 538 C LYS A 254 11.402 -10.053 -0.074 1.00 0.49 C ATOM 539 O LYS A 254 11.501 -10.787 -1.059 1.00 0.54 O ATOM 540 CB LYS A 254 11.400 -9.980 2.477 1.00 0.57 C ATOM 541 CG LYS A 254 12.291 -9.431 3.586 1.00 0.73 C ATOM 542 CD LYS A 254 13.260 -10.467 4.137 1.00 1.32 C ATOM 543 CE LYS A 254 14.571 -9.814 4.563 1.00 1.62 C ATOM 544 NZ LYS A 254 15.094 -10.384 5.833 1.00 2.40 N ATOM 0 H LYS A 254 14.253 -10.327 1.205 1.00 0.55 H new ATOM 0 HA LYS A 254 12.310 -11.455 1.290 1.00 0.55 H new ATOM 0 HB2 LYS A 254 10.652 -9.230 2.220 1.00 0.57 H new ATOM 0 HB3 LYS A 254 10.863 -10.851 2.853 1.00 0.57 H new ATOM 0 HG2 LYS A 254 12.856 -8.581 3.204 1.00 0.73 H new ATOM 0 HG3 LYS A 254 11.665 -9.059 4.397 1.00 0.73 H new ATOM 0 HD2 LYS A 254 12.809 -10.976 4.989 1.00 1.32 H new ATOM 0 HD3 LYS A 254 13.456 -11.226 3.380 1.00 1.32 H new ATOM 0 HE2 LYS A 254 15.313 -9.944 3.775 1.00 1.62 H new ATOM 0 HE3 LYS A 254 14.419 -8.741 4.683 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 15.985 -9.911 6.085 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 14.398 -10.237 6.592 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 15.265 -11.403 5.712 1.00 2.40 H new ATOM 558 N THR A 255 10.660 -8.952 -0.067 1.00 0.42 N ATOM 559 CA THR A 255 10.108 -8.404 -1.294 1.00 0.39 C ATOM 560 C THR A 255 10.162 -6.872 -1.343 1.00 0.31 C ATOM 561 O THR A 255 9.778 -6.297 -2.337 1.00 0.32 O ATOM 562 CB THR A 255 8.665 -8.890 -1.540 1.00 0.47 C ATOM 563 OG1 THR A 255 7.873 -8.716 -0.354 1.00 0.49 O ATOM 564 CG2 THR A 255 8.657 -10.353 -1.950 1.00 0.60 C ATOM 0 H THR A 255 10.429 -8.424 0.774 1.00 0.42 H new ATOM 0 HA THR A 255 10.746 -8.780 -2.094 1.00 0.39 H new ATOM 0 HB THR A 255 8.237 -8.295 -2.347 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.959 -9.026 -0.523 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.630 -10.678 -2.119 1.00 0.60 H new ATOM 0 HG22 THR A 255 9.233 -10.477 -2.867 1.00 0.60 H new ATOM 0 HG23 THR A 255 9.102 -10.955 -1.158 1.00 0.60 H new ATOM 572 N ALA A 256 10.727 -6.257 -0.302 1.00 0.26 N ATOM 573 CA ALA A 256 10.547 -4.824 0.040 1.00 0.21 C ATOM 574 C ALA A 256 10.282 -3.848 -1.124 1.00 0.17 C ATOM 575 O ALA A 256 11.009 -3.813 -2.119 1.00 0.21 O ATOM 576 CB ALA A 256 11.749 -4.351 0.834 1.00 0.23 C ATOM 0 H ALA A 256 11.341 -6.745 0.350 1.00 0.26 H new ATOM 0 HA ALA A 256 9.622 -4.798 0.616 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.625 -3.299 1.090 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.835 -4.939 1.748 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.652 -4.475 0.236 1.00 0.23 H new ATOM 582 N LEU A 257 9.229 -3.020 -0.941 1.00 0.14 N ATOM 583 CA LEU A 257 8.901 -1.920 -1.862 1.00 0.14 C ATOM 584 C LEU A 257 10.045 -0.925 -1.959 1.00 0.13 C ATOM 585 O LEU A 257 10.430 -0.334 -0.954 1.00 0.15 O ATOM 586 CB LEU A 257 7.668 -1.116 -1.391 1.00 0.15 C ATOM 587 CG LEU A 257 6.298 -1.601 -1.839 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.328 -2.033 -3.291 1.00 0.21 C ATOM 589 CD2 LEU A 257 5.803 -2.704 -0.937 1.00 0.21 C ATOM 0 H LEU A 257 8.587 -3.099 -0.152 1.00 0.14 H new ATOM 0 HA LEU A 257 8.704 -2.394 -2.823 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.677 -1.095 -0.301 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.788 -0.087 -1.731 1.00 0.15 H new ATOM 0 HG LEU A 257 5.594 -0.772 -1.761 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.337 -2.376 -3.589 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.623 -1.190 -3.915 1.00 0.21 H new ATOM 0 HD13 LEU A 257 7.045 -2.845 -3.414 1.00 0.21 H new ATOM 0 HD21 LEU A 257 4.822 -3.037 -1.274 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.501 -3.541 -0.969 1.00 0.21 H new ATOM 0 HD23 LEU A 257 5.728 -2.332 0.085 1.00 0.21 H new ATOM 601 N ALA A 258 10.550 -0.702 -3.161 1.00 0.14 N ATOM 602 CA ALA A 258 11.564 0.319 -3.364 1.00 0.16 C ATOM 603 C ALA A 258 10.916 1.646 -3.726 1.00 0.17 C ATOM 604 O ALA A 258 10.544 1.874 -4.877 1.00 0.24 O ATOM 605 CB ALA A 258 12.525 -0.104 -4.453 1.00 0.22 C ATOM 0 H ALA A 258 10.278 -1.209 -4.003 1.00 0.14 H new ATOM 0 HA ALA A 258 12.119 0.443 -2.434 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.279 0.671 -4.594 1.00 0.22 H new ATOM 0 HB2 ALA A 258 13.012 -1.036 -4.167 1.00 0.22 H new ATOM 0 HB3 ALA A 258 11.978 -0.251 -5.384 1.00 0.22 H new ATOM 611 N LEU A 259 10.758 2.506 -2.730 1.00 0.13 N ATOM 612 CA LEU A 259 10.162 3.820 -2.930 1.00 0.15 C ATOM 613 C LEU A 259 10.582 4.750 -1.800 1.00 0.15 C ATOM 614 O LEU A 259 11.071 4.290 -0.775 1.00 0.18 O ATOM 615 CB LEU A 259 8.630 3.715 -3.040 1.00 0.20 C ATOM 616 CG LEU A 259 8.015 2.422 -2.489 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.281 2.287 -1.005 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.522 2.374 -2.758 1.00 0.55 C ATOM 0 H LEU A 259 11.037 2.315 -1.768 1.00 0.13 H new ATOM 0 HA LEU A 259 10.523 4.238 -3.870 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.187 4.560 -2.514 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.351 3.811 -4.089 1.00 0.20 H new ATOM 0 HG LEU A 259 8.487 1.585 -3.004 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.835 1.363 -0.638 1.00 0.66 H new ATOM 0 HD12 LEU A 259 9.356 2.266 -0.829 1.00 0.66 H new ATOM 0 HD13 LEU A 259 7.843 3.135 -0.478 1.00 0.66 H new ATOM 0 HD21 LEU A 259 6.110 1.448 -2.358 1.00 0.55 H new ATOM 0 HD22 LEU A 259 6.038 3.224 -2.277 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.344 2.416 -3.833 1.00 0.55 H new ATOM 630 N GLU A 260 10.380 6.044 -1.972 1.00 0.18 N ATOM 631 CA GLU A 260 10.827 7.012 -1.002 1.00 0.24 C ATOM 632 C GLU A 260 9.676 7.939 -0.655 1.00 0.20 C ATOM 633 O GLU A 260 8.536 7.716 -1.055 1.00 0.21 O ATOM 634 CB GLU A 260 12.044 7.801 -1.528 1.00 0.39 C ATOM 635 CG GLU A 260 11.728 9.181 -2.102 1.00 0.52 C ATOM 636 CD GLU A 260 12.969 9.915 -2.557 1.00 0.96 C ATOM 637 OE1 GLU A 260 13.349 9.763 -3.737 1.00 1.27 O ATOM 638 OE2 GLU A 260 13.567 10.654 -1.748 1.00 1.74 O ATOM 0 H GLU A 260 9.906 6.445 -2.781 1.00 0.18 H new ATOM 0 HA GLU A 260 11.149 6.494 -0.099 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.759 7.919 -0.714 1.00 0.39 H new ATOM 0 HB3 GLU A 260 12.535 7.208 -2.300 1.00 0.39 H new ATOM 0 HG2 GLU A 260 11.044 9.073 -2.944 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.214 9.776 -1.347 1.00 0.52 H new ATOM 645 N VAL A 261 9.974 8.929 0.134 1.00 0.33 N ATOM 646 CA VAL A 261 9.026 9.953 0.501 1.00 0.32 C ATOM 647 C VAL A 261 8.471 10.708 -0.702 1.00 0.22 C ATOM 648 O VAL A 261 9.219 11.297 -1.479 1.00 0.28 O ATOM 649 CB VAL A 261 9.729 10.920 1.435 1.00 0.43 C ATOM 650 CG1 VAL A 261 8.830 12.076 1.805 1.00 0.92 C ATOM 651 CG2 VAL A 261 10.191 10.126 2.621 1.00 0.93 C ATOM 0 H VAL A 261 10.897 9.054 0.550 1.00 0.33 H new ATOM 0 HA VAL A 261 8.173 9.476 0.983 1.00 0.32 H new ATOM 0 HB VAL A 261 10.591 11.381 0.953 1.00 0.43 H new ATOM 0 HG11 VAL A 261 9.362 12.751 2.475 1.00 0.92 H new ATOM 0 HG12 VAL A 261 8.540 12.614 0.903 1.00 0.92 H new ATOM 0 HG13 VAL A 261 7.938 11.698 2.305 1.00 0.92 H new ATOM 0 HG21 VAL A 261 10.704 10.784 3.322 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.330 9.672 3.113 1.00 0.93 H new ATOM 0 HG23 VAL A 261 10.874 9.344 2.291 1.00 0.93 H new ATOM 661 N GLY A 262 7.157 10.674 -0.848 1.00 0.17 N ATOM 662 CA GLY A 262 6.509 11.458 -1.866 1.00 0.20 C ATOM 663 C GLY A 262 6.060 10.600 -3.015 1.00 0.22 C ATOM 664 O GLY A 262 5.468 11.088 -3.976 1.00 0.31 O ATOM 0 H GLY A 262 6.528 10.113 -0.274 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.650 11.974 -1.438 1.00 0.20 H new ATOM 0 HA3 GLY A 262 7.194 12.225 -2.228 1.00 0.20 H new ATOM 668 N GLU A 263 6.329 9.314 -2.901 1.00 0.16 N ATOM 669 CA GLU A 263 6.059 8.382 -3.968 1.00 0.18 C ATOM 670 C GLU A 263 4.684 7.747 -3.792 1.00 0.15 C ATOM 671 O GLU A 263 3.999 8.002 -2.802 1.00 0.19 O ATOM 672 CB GLU A 263 7.155 7.330 -3.967 1.00 0.23 C ATOM 673 CG GLU A 263 8.544 7.944 -3.943 1.00 0.26 C ATOM 674 CD GLU A 263 8.929 8.522 -5.289 1.00 0.61 C ATOM 675 OE1 GLU A 263 8.619 9.705 -5.538 1.00 1.04 O ATOM 676 OE2 GLU A 263 9.577 7.811 -6.088 1.00 1.02 O ATOM 0 H GLU A 263 6.739 8.891 -2.068 1.00 0.16 H new ATOM 0 HA GLU A 263 6.051 8.900 -4.927 1.00 0.18 H new ATOM 0 HB2 GLU A 263 7.032 6.681 -3.100 1.00 0.23 H new ATOM 0 HB3 GLU A 263 7.053 6.702 -4.852 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.581 8.728 -3.187 1.00 0.26 H new ATOM 0 HG3 GLU A 263 9.271 7.186 -3.652 1.00 0.26 H new ATOM 683 N LEU A 264 4.283 6.921 -4.740 1.00 0.14 N ATOM 684 CA LEU A 264 2.977 6.290 -4.687 1.00 0.13 C ATOM 685 C LEU A 264 3.105 4.806 -4.944 1.00 0.15 C ATOM 686 O LEU A 264 4.045 4.359 -5.596 1.00 0.24 O ATOM 687 CB LEU A 264 2.036 6.927 -5.716 1.00 0.15 C ATOM 688 CG LEU A 264 0.551 6.604 -5.536 1.00 0.14 C ATOM 689 CD1 LEU A 264 -0.009 7.344 -4.336 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.232 6.949 -6.794 1.00 0.18 C ATOM 0 H LEU A 264 4.842 6.671 -5.556 1.00 0.14 H new ATOM 0 HA LEU A 264 2.557 6.439 -3.692 1.00 0.13 H new ATOM 0 HB2 LEU A 264 2.162 8.009 -5.678 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.342 6.605 -6.711 1.00 0.15 H new ATOM 0 HG LEU A 264 0.451 5.533 -5.359 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.066 7.104 -4.221 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.531 7.043 -3.438 1.00 0.14 H new ATOM 0 HD13 LEU A 264 0.105 8.418 -4.485 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.285 6.711 -6.644 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.127 8.013 -7.008 1.00 0.18 H new ATOM 0 HD23 LEU A 264 0.154 6.371 -7.633 1.00 0.18 H new ATOM 702 N VAL A 265 2.159 4.049 -4.429 1.00 0.14 N ATOM 703 CA VAL A 265 2.195 2.616 -4.556 1.00 0.15 C ATOM 704 C VAL A 265 0.791 2.120 -4.819 1.00 0.15 C ATOM 705 O VAL A 265 -0.180 2.835 -4.570 1.00 0.27 O ATOM 706 CB VAL A 265 2.746 1.952 -3.271 1.00 0.20 C ATOM 707 CG1 VAL A 265 1.679 1.899 -2.197 1.00 0.40 C ATOM 708 CG2 VAL A 265 3.274 0.559 -3.550 1.00 0.41 C ATOM 0 H VAL A 265 1.354 4.409 -3.917 1.00 0.14 H new ATOM 0 HA VAL A 265 2.857 2.352 -5.381 1.00 0.15 H new ATOM 0 HB VAL A 265 3.575 2.564 -2.915 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.087 1.429 -1.302 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.352 2.911 -1.958 1.00 0.40 H new ATOM 0 HG13 VAL A 265 0.829 1.319 -2.557 1.00 0.40 H new ATOM 0 HG21 VAL A 265 3.653 0.122 -2.626 1.00 0.41 H new ATOM 0 HG22 VAL A 265 2.470 -0.063 -3.942 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.079 0.615 -4.282 1.00 0.41 H new ATOM 718 N LYS A 266 0.686 0.917 -5.315 1.00 0.13 N ATOM 719 CA LYS A 266 -0.595 0.287 -5.489 1.00 0.15 C ATOM 720 C LYS A 266 -0.593 -0.982 -4.669 1.00 0.13 C ATOM 721 O LYS A 266 -0.025 -1.998 -5.065 1.00 0.14 O ATOM 722 CB LYS A 266 -0.865 -0.004 -6.972 1.00 0.24 C ATOM 723 CG LYS A 266 -2.265 -0.522 -7.258 1.00 0.85 C ATOM 724 CD LYS A 266 -2.331 -2.039 -7.247 1.00 0.49 C ATOM 725 CE LYS A 266 -1.523 -2.638 -8.386 1.00 0.82 C ATOM 726 NZ LYS A 266 -1.769 -4.095 -8.539 1.00 1.32 N ATOM 0 H LYS A 266 1.481 0.349 -5.608 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.394 0.947 -5.152 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.703 0.909 -7.546 1.00 0.24 H new ATOM 0 HB3 LYS A 266 -0.139 -0.736 -7.326 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -2.956 -0.125 -6.514 1.00 0.85 H new ATOM 0 HG3 LYS A 266 -2.595 -0.153 -8.229 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -1.954 -2.414 -6.295 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -3.370 -2.360 -7.328 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -1.775 -2.128 -9.316 1.00 0.82 H new ATOM 0 HE3 LYS A 266 -0.462 -2.467 -8.206 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 -0.883 -4.615 -8.380 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 -2.480 -4.402 -7.845 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 -2.117 -4.289 -9.500 1.00 1.32 H new ATOM 740 N VAL A 267 -1.210 -0.906 -3.511 1.00 0.16 N ATOM 741 CA VAL A 267 -1.222 -2.013 -2.594 1.00 0.16 C ATOM 742 C VAL A 267 -2.200 -3.067 -3.094 1.00 0.17 C ATOM 743 O VAL A 267 -3.413 -2.920 -2.962 1.00 0.25 O ATOM 744 CB VAL A 267 -1.612 -1.564 -1.175 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.406 -2.678 -0.189 1.00 0.55 C ATOM 746 CG2 VAL A 267 -0.829 -0.335 -0.744 1.00 0.63 C ATOM 0 H VAL A 267 -1.712 -0.081 -3.184 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.217 -2.432 -2.544 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.670 -1.302 -1.196 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.688 -2.339 0.808 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -2.023 -3.531 -0.470 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.357 -2.974 -0.188 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -1.130 -0.046 0.263 1.00 0.63 H new ATOM 0 HG22 VAL A 267 0.237 -0.561 -0.753 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -1.031 0.485 -1.433 1.00 0.63 H new ATOM 756 N THR A 268 -1.660 -4.113 -3.694 1.00 0.15 N ATOM 757 CA THR A 268 -2.465 -5.157 -4.281 1.00 0.19 C ATOM 758 C THR A 268 -2.906 -6.147 -3.206 1.00 0.22 C ATOM 759 O THR A 268 -3.805 -6.963 -3.417 1.00 0.34 O ATOM 760 CB THR A 268 -1.678 -5.882 -5.398 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.500 -6.862 -6.043 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.422 -6.544 -4.843 1.00 0.29 C ATOM 0 H THR A 268 -0.654 -4.258 -3.785 1.00 0.15 H new ATOM 0 HA THR A 268 -3.353 -4.707 -4.725 1.00 0.19 H new ATOM 0 HB THR A 268 -1.380 -5.133 -6.131 1.00 0.24 H new ATOM 0 HG1 THR A 268 -1.985 -7.309 -6.747 1.00 0.32 H new ATOM 0 HG21 THR A 268 0.112 -7.046 -5.650 1.00 0.29 H new ATOM 0 HG22 THR A 268 0.223 -5.786 -4.398 1.00 0.29 H new ATOM 0 HG23 THR A 268 -0.701 -7.274 -4.083 1.00 0.29 H new ATOM 770 N LYS A 269 -2.279 -6.058 -2.041 1.00 0.18 N ATOM 771 CA LYS A 269 -2.576 -6.957 -0.953 1.00 0.20 C ATOM 772 C LYS A 269 -3.226 -6.207 0.183 1.00 0.22 C ATOM 773 O LYS A 269 -2.560 -5.765 1.097 1.00 0.35 O ATOM 774 CB LYS A 269 -1.297 -7.616 -0.479 1.00 0.23 C ATOM 775 CG LYS A 269 -1.510 -8.825 0.401 1.00 0.40 C ATOM 776 CD LYS A 269 -1.631 -10.113 -0.405 1.00 1.55 C ATOM 777 CE LYS A 269 -2.673 -9.997 -1.501 1.00 2.25 C ATOM 778 NZ LYS A 269 -2.910 -11.288 -2.197 1.00 2.84 N ATOM 0 H LYS A 269 -1.559 -5.366 -1.832 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.268 -7.723 -1.301 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -0.711 -7.913 -1.349 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.705 -6.882 0.068 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -0.679 -8.913 1.100 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -2.413 -8.685 0.995 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.665 -10.357 -0.847 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -1.894 -10.935 0.261 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -3.610 -9.642 -1.072 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -2.351 -9.250 -2.227 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -3.629 -11.157 -2.936 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -2.024 -11.616 -2.631 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -3.243 -11.996 -1.512 1.00 2.84 H new ATOM 792 N ILE A 270 -4.529 -6.076 0.120 1.00 0.33 N ATOM 793 CA ILE A 270 -5.240 -5.259 1.088 1.00 0.39 C ATOM 794 C ILE A 270 -5.626 -6.108 2.293 1.00 0.55 C ATOM 795 O ILE A 270 -5.789 -7.325 2.174 1.00 0.73 O ATOM 796 CB ILE A 270 -6.487 -4.572 0.472 1.00 0.56 C ATOM 797 CG1 ILE A 270 -7.739 -5.435 0.608 1.00 0.93 C ATOM 798 CG2 ILE A 270 -6.234 -4.258 -0.998 1.00 1.09 C ATOM 799 CD1 ILE A 270 -8.998 -4.750 0.115 1.00 1.90 C ATOM 0 H ILE A 270 -5.120 -6.519 -0.584 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.571 -4.461 1.410 1.00 0.39 H new ATOM 0 HB ILE A 270 -6.660 -3.648 1.023 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -7.596 -6.361 0.051 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -7.870 -5.710 1.655 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -7.114 -3.776 -1.424 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -5.377 -3.591 -1.085 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.030 -5.183 -1.538 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -9.849 -5.419 0.241 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -9.165 -3.839 0.689 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -8.886 -4.499 -0.940 1.00 1.90 H new ATOM 811 N ASN A 271 -5.735 -5.478 3.450 1.00 0.60 N ATOM 812 CA ASN A 271 -6.016 -6.202 4.677 1.00 0.82 C ATOM 813 C ASN A 271 -6.810 -5.342 5.654 1.00 0.70 C ATOM 814 O ASN A 271 -7.357 -4.303 5.289 1.00 0.87 O ATOM 815 CB ASN A 271 -4.709 -6.669 5.327 1.00 1.17 C ATOM 816 CG ASN A 271 -3.883 -5.522 5.858 1.00 1.58 C ATOM 817 OD1 ASN A 271 -3.954 -5.168 7.036 1.00 2.28 O ATOM 818 ND2 ASN A 271 -3.110 -4.923 4.988 1.00 1.88 N ATOM 0 H ASN A 271 -5.634 -4.470 3.565 1.00 0.60 H new ATOM 0 HA ASN A 271 -6.620 -7.073 4.424 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -4.938 -7.355 6.142 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -4.123 -7.226 4.596 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -2.536 -4.130 5.276 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -3.081 -5.249 4.022 1.00 1.88 H new ATOM 825 N MET A 272 -6.840 -5.778 6.901 1.00 0.81 N ATOM 826 CA MET A 272 -7.698 -5.182 7.912 1.00 0.97 C ATOM 827 C MET A 272 -6.974 -4.151 8.768 1.00 1.02 C ATOM 828 O MET A 272 -7.533 -3.111 9.100 1.00 1.22 O ATOM 829 CB MET A 272 -8.256 -6.294 8.799 1.00 1.24 C ATOM 830 CG MET A 272 -7.175 -7.169 9.416 1.00 1.30 C ATOM 831 SD MET A 272 -7.577 -8.925 9.333 1.00 2.03 S ATOM 832 CE MET A 272 -7.816 -9.142 7.568 1.00 2.52 C ATOM 0 H MET A 272 -6.272 -6.554 7.242 1.00 0.81 H new ATOM 0 HA MET A 272 -8.501 -4.653 7.399 1.00 0.97 H new ATOM 0 HB2 MET A 272 -8.853 -5.849 9.595 1.00 1.24 H new ATOM 0 HB3 MET A 272 -8.927 -6.918 8.209 1.00 1.24 H new ATOM 0 HG2 MET A 272 -6.231 -6.991 8.902 1.00 1.30 H new ATOM 0 HG3 MET A 272 -7.030 -6.882 10.457 1.00 1.30 H new ATOM 0 HE1 MET A 272 -7.545 -10.159 7.286 1.00 2.52 H new ATOM 0 HE2 MET A 272 -8.862 -8.963 7.318 1.00 2.52 H new ATOM 0 HE3 MET A 272 -7.187 -8.436 7.026 1.00 2.52 H new ATOM 842 N SER A 273 -5.731 -4.429 9.101 1.00 0.93 N ATOM 843 CA SER A 273 -5.027 -3.654 10.112 1.00 1.02 C ATOM 844 C SER A 273 -4.262 -2.481 9.509 1.00 0.91 C ATOM 845 O SER A 273 -4.074 -1.453 10.162 1.00 1.14 O ATOM 846 CB SER A 273 -4.077 -4.568 10.884 1.00 1.14 C ATOM 847 OG SER A 273 -4.757 -5.726 11.346 1.00 1.50 O ATOM 0 H SER A 273 -5.184 -5.185 8.689 1.00 0.93 H new ATOM 0 HA SER A 273 -5.770 -3.235 10.791 1.00 1.02 H new ATOM 0 HB2 SER A 273 -3.245 -4.860 10.243 1.00 1.14 H new ATOM 0 HB3 SER A 273 -3.653 -4.028 11.730 1.00 1.14 H new ATOM 0 HG SER A 273 -4.131 -6.299 11.836 1.00 1.50 H new ATOM 853 N GLY A 274 -3.837 -2.625 8.266 1.00 0.64 N ATOM 854 CA GLY A 274 -3.014 -1.607 7.660 1.00 0.61 C ATOM 855 C GLY A 274 -1.633 -2.130 7.330 1.00 0.49 C ATOM 856 O GLY A 274 -0.758 -1.378 6.913 1.00 0.57 O ATOM 0 H GLY A 274 -4.047 -3.425 7.669 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -3.493 -1.245 6.751 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -2.929 -0.756 8.336 1.00 0.61 H new ATOM 860 N GLN A 275 -1.439 -3.428 7.520 1.00 0.41 N ATOM 861 CA GLN A 275 -0.155 -4.057 7.235 1.00 0.40 C ATOM 862 C GLN A 275 -0.270 -4.847 5.945 1.00 0.32 C ATOM 863 O GLN A 275 -0.583 -6.037 5.960 1.00 0.41 O ATOM 864 CB GLN A 275 0.265 -4.966 8.397 1.00 0.56 C ATOM 865 CG GLN A 275 1.571 -5.714 8.164 1.00 0.69 C ATOM 866 CD GLN A 275 2.755 -4.790 7.957 1.00 0.76 C ATOM 867 OE1 GLN A 275 3.068 -4.407 6.833 1.00 1.36 O ATOM 868 NE2 GLN A 275 3.423 -4.430 9.040 1.00 0.81 N ATOM 0 H GLN A 275 -2.153 -4.066 7.870 1.00 0.41 H new ATOM 0 HA GLN A 275 0.612 -3.291 7.120 1.00 0.40 H new ATOM 0 HB2 GLN A 275 0.361 -4.362 9.299 1.00 0.56 H new ATOM 0 HB3 GLN A 275 -0.528 -5.691 8.581 1.00 0.56 H new ATOM 0 HG2 GLN A 275 1.769 -6.363 9.017 1.00 0.69 H new ATOM 0 HG3 GLN A 275 1.463 -6.358 7.292 1.00 0.69 H new ATOM 0 HE21 GLN A 275 3.131 -4.770 9.956 1.00 0.81 H new ATOM 0 HE22 GLN A 275 4.231 -3.812 8.959 1.00 0.81 H new ATOM 877 N TRP A 276 -0.087 -4.165 4.828 1.00 0.22 N ATOM 878 CA TRP A 276 -0.313 -4.770 3.533 1.00 0.17 C ATOM 879 C TRP A 276 0.961 -4.894 2.720 1.00 0.15 C ATOM 880 O TRP A 276 2.030 -4.425 3.115 1.00 0.19 O ATOM 881 CB TRP A 276 -1.331 -3.965 2.733 1.00 0.18 C ATOM 882 CG TRP A 276 -1.491 -2.536 3.167 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.517 -1.579 3.224 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.708 -1.894 3.566 1.00 0.28 C ATOM 885 NE1 TRP A 276 -1.051 -0.391 3.656 1.00 0.31 N ATOM 886 CE2 TRP A 276 -2.395 -0.557 3.866 1.00 0.31 C ATOM 887 CE3 TRP A 276 -4.030 -2.323 3.701 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -3.357 0.350 4.293 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -4.984 -1.421 4.125 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.644 -0.097 4.415 1.00 0.47 C ATOM 0 H TRP A 276 0.218 -3.192 4.795 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.694 -5.773 3.726 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -1.039 -3.980 1.683 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.299 -4.461 2.802 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.520 -1.735 2.967 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.532 0.475 3.798 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.301 -3.344 3.477 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -3.097 1.373 4.521 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -6.009 -1.743 4.234 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -5.413 0.587 4.742 1.00 0.47 H new ATOM 901 N GLU A 277 0.816 -5.507 1.558 1.00 0.12 N ATOM 902 CA GLU A 277 1.902 -5.670 0.635 1.00 0.12 C ATOM 903 C GLU A 277 1.709 -4.698 -0.507 1.00 0.11 C ATOM 904 O GLU A 277 0.623 -4.613 -1.053 1.00 0.12 O ATOM 905 CB GLU A 277 1.929 -7.082 0.067 1.00 0.14 C ATOM 906 CG GLU A 277 2.505 -8.145 0.996 1.00 0.19 C ATOM 907 CD GLU A 277 1.789 -8.307 2.326 1.00 1.21 C ATOM 908 OE1 GLU A 277 0.768 -9.023 2.365 1.00 1.55 O ATOM 909 OE2 GLU A 277 2.273 -7.776 3.344 1.00 2.07 O ATOM 0 H GLU A 277 -0.067 -5.904 1.236 1.00 0.12 H new ATOM 0 HA GLU A 277 2.839 -5.485 1.159 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.912 -7.368 -0.200 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.510 -7.074 -0.855 1.00 0.14 H new ATOM 0 HG2 GLU A 277 2.491 -9.103 0.476 1.00 0.19 H new ATOM 0 HG3 GLU A 277 3.550 -7.904 1.192 1.00 0.19 H new ATOM 916 N GLY A 278 2.746 -3.996 -0.885 1.00 0.13 N ATOM 917 CA GLY A 278 2.613 -3.012 -1.937 1.00 0.12 C ATOM 918 C GLY A 278 3.113 -3.528 -3.248 1.00 0.12 C ATOM 919 O GLY A 278 3.766 -4.567 -3.309 1.00 0.15 O ATOM 0 H GLY A 278 3.682 -4.082 -0.489 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.566 -2.724 -2.035 1.00 0.12 H new ATOM 0 HA3 GLY A 278 3.166 -2.113 -1.666 1.00 0.12 H new ATOM 923 N GLU A 279 2.792 -2.812 -4.293 1.00 0.11 N ATOM 924 CA GLU A 279 3.407 -3.036 -5.572 1.00 0.14 C ATOM 925 C GLU A 279 3.551 -1.687 -6.259 1.00 0.17 C ATOM 926 O GLU A 279 2.567 -0.989 -6.489 1.00 0.20 O ATOM 927 CB GLU A 279 2.575 -4.002 -6.414 1.00 0.20 C ATOM 928 CG GLU A 279 3.362 -4.641 -7.544 1.00 0.31 C ATOM 929 CD GLU A 279 2.552 -5.650 -8.320 1.00 1.08 C ATOM 930 OE1 GLU A 279 2.413 -6.792 -7.840 1.00 1.27 O ATOM 931 OE2 GLU A 279 2.051 -5.308 -9.413 1.00 2.07 O ATOM 0 H GLU A 279 2.101 -2.062 -4.281 1.00 0.11 H new ATOM 0 HA GLU A 279 4.388 -3.495 -5.446 1.00 0.14 H new ATOM 0 HB2 GLU A 279 2.177 -4.785 -5.769 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.721 -3.468 -6.831 1.00 0.20 H new ATOM 0 HG2 GLU A 279 3.712 -3.863 -8.223 1.00 0.31 H new ATOM 0 HG3 GLU A 279 4.247 -5.129 -7.135 1.00 0.31 H new ATOM 938 N CYS A 280 4.777 -1.314 -6.559 1.00 0.20 N ATOM 939 CA CYS A 280 5.060 -0.002 -7.103 1.00 0.27 C ATOM 940 C CYS A 280 5.806 -0.116 -8.413 1.00 0.29 C ATOM 941 O CYS A 280 7.021 -0.312 -8.430 1.00 0.33 O ATOM 942 CB CYS A 280 5.881 0.818 -6.105 1.00 0.39 C ATOM 943 SG CYS A 280 6.355 2.459 -6.695 1.00 0.51 S ATOM 0 H CYS A 280 5.599 -1.905 -6.434 1.00 0.20 H new ATOM 0 HA CYS A 280 4.112 0.504 -7.286 1.00 0.27 H new ATOM 0 HB2 CYS A 280 5.307 0.928 -5.185 1.00 0.39 H new ATOM 0 HB3 CYS A 280 6.784 0.262 -5.852 1.00 0.39 H new ATOM 0 HG CYS A 280 5.474 3.332 -6.305 1.00 0.51 H new ATOM 949 N ASN A 281 5.056 -0.026 -9.505 1.00 0.37 N ATOM 950 CA ASN A 281 5.625 -0.036 -10.848 1.00 0.49 C ATOM 951 C ASN A 281 6.548 -1.234 -11.032 1.00 0.45 C ATOM 952 O ASN A 281 7.587 -1.146 -11.685 1.00 0.53 O ATOM 953 CB ASN A 281 6.366 1.278 -11.137 1.00 0.63 C ATOM 954 CG ASN A 281 5.427 2.454 -11.376 1.00 0.80 C ATOM 955 OD1 ASN A 281 5.751 3.372 -12.130 1.00 1.44 O ATOM 956 ND2 ASN A 281 4.255 2.439 -10.753 1.00 0.97 N ATOM 0 H ASN A 281 4.039 0.056 -9.485 1.00 0.37 H new ATOM 0 HA ASN A 281 4.808 -0.125 -11.564 1.00 0.49 H new ATOM 0 HB2 ASN A 281 7.023 1.510 -10.298 1.00 0.63 H new ATOM 0 HB3 ASN A 281 7.002 1.145 -12.012 1.00 0.63 H new ATOM 0 HD21 ASN A 281 3.593 3.203 -10.893 1.00 0.97 H new ATOM 0 HD22 ASN A 281 4.016 1.664 -10.135 1.00 0.97 H new ATOM 963 N GLY A 282 6.141 -2.360 -10.463 1.00 0.37 N ATOM 964 CA GLY A 282 6.883 -3.582 -10.620 1.00 0.39 C ATOM 965 C GLY A 282 7.670 -3.977 -9.393 1.00 0.34 C ATOM 966 O GLY A 282 8.208 -5.086 -9.334 1.00 0.46 O ATOM 0 H GLY A 282 5.301 -2.443 -9.891 1.00 0.37 H new ATOM 0 HA2 GLY A 282 6.192 -4.386 -10.872 1.00 0.39 H new ATOM 0 HA3 GLY A 282 7.568 -3.475 -11.461 1.00 0.39 H new ATOM 970 N LYS A 283 7.754 -3.097 -8.407 1.00 0.25 N ATOM 971 CA LYS A 283 8.309 -3.490 -7.130 1.00 0.23 C ATOM 972 C LYS A 283 7.198 -4.010 -6.249 1.00 0.14 C ATOM 973 O LYS A 283 6.103 -3.479 -6.255 1.00 0.17 O ATOM 974 CB LYS A 283 9.028 -2.325 -6.455 1.00 0.33 C ATOM 975 CG LYS A 283 10.107 -1.728 -7.329 1.00 0.74 C ATOM 976 CD LYS A 283 10.015 -0.218 -7.346 1.00 0.61 C ATOM 977 CE LYS A 283 11.089 0.390 -8.224 1.00 1.28 C ATOM 978 NZ LYS A 283 10.879 0.094 -9.669 1.00 1.93 N ATOM 0 H LYS A 283 7.450 -2.125 -8.467 1.00 0.25 H new ATOM 0 HA LYS A 283 9.047 -4.276 -7.293 1.00 0.23 H new ATOM 0 HB2 LYS A 283 8.302 -1.553 -6.200 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.470 -2.668 -5.520 1.00 0.33 H new ATOM 0 HG2 LYS A 283 11.087 -2.032 -6.962 1.00 0.74 H new ATOM 0 HG3 LYS A 283 10.013 -2.113 -8.344 1.00 0.74 H new ATOM 0 HD2 LYS A 283 9.032 0.084 -7.708 1.00 0.61 H new ATOM 0 HD3 LYS A 283 10.112 0.166 -6.330 1.00 0.61 H new ATOM 0 HE2 LYS A 283 11.106 1.470 -8.076 1.00 1.28 H new ATOM 0 HE3 LYS A 283 12.063 0.010 -7.916 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 11.546 0.653 -10.238 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 11.040 -0.919 -9.843 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 9.905 0.341 -9.936 1.00 1.93 H new ATOM 992 N ARG A 284 7.483 -5.046 -5.511 1.00 0.16 N ATOM 993 CA ARG A 284 6.526 -5.647 -4.606 1.00 0.12 C ATOM 994 C ARG A 284 7.033 -5.384 -3.201 1.00 0.13 C ATOM 995 O ARG A 284 8.042 -4.714 -3.057 1.00 0.20 O ATOM 996 CB ARG A 284 6.414 -7.151 -4.887 1.00 0.18 C ATOM 997 CG ARG A 284 5.361 -7.892 -4.067 1.00 0.21 C ATOM 998 CD ARG A 284 3.950 -7.600 -4.543 1.00 0.26 C ATOM 999 NE ARG A 284 2.999 -8.556 -3.978 1.00 0.41 N ATOM 1000 CZ ARG A 284 2.010 -9.124 -4.665 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.774 -8.773 -5.924 1.00 0.57 N ATOM 1002 NH2 ARG A 284 1.246 -10.039 -4.078 1.00 0.67 N ATOM 0 H ARG A 284 8.393 -5.506 -5.516 1.00 0.16 H new ATOM 0 HA ARG A 284 5.530 -5.224 -4.734 1.00 0.12 H new ATOM 0 HB2 ARG A 284 6.191 -7.290 -5.945 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.385 -7.611 -4.702 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.547 -8.964 -4.125 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.454 -7.609 -3.019 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.668 -6.587 -4.256 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.913 -7.644 -5.631 1.00 0.26 H new ATOM 0 HE ARG A 284 3.100 -8.804 -2.994 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.353 -8.063 -6.372 1.00 0.57 H new ATOM 0 HH12 ARG A 284 1.014 -9.214 -6.442 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.419 -10.302 -3.108 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.486 -10.479 -4.598 1.00 0.67 H new ATOM 1016 N GLY A 285 6.302 -5.777 -2.180 1.00 0.14 N ATOM 1017 CA GLY A 285 6.876 -5.800 -0.860 1.00 0.18 C ATOM 1018 C GLY A 285 5.815 -5.748 0.187 1.00 0.14 C ATOM 1019 O GLY A 285 4.677 -6.081 -0.089 1.00 0.15 O ATOM 0 H GLY A 285 5.329 -6.078 -2.239 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.471 -6.704 -0.734 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.552 -4.954 -0.739 1.00 0.18 H new ATOM 1023 N HIS A 286 6.177 -5.315 1.374 1.00 0.15 N ATOM 1024 CA HIS A 286 5.240 -5.253 2.481 1.00 0.13 C ATOM 1025 C HIS A 286 5.632 -4.146 3.448 1.00 0.15 C ATOM 1026 O HIS A 286 6.767 -4.094 3.918 1.00 0.20 O ATOM 1027 CB HIS A 286 5.161 -6.617 3.180 1.00 0.18 C ATOM 1028 CG HIS A 286 6.489 -7.170 3.638 1.00 0.26 C ATOM 1029 ND1 HIS A 286 6.611 -8.262 4.470 1.00 0.75 N ATOM 1030 CD2 HIS A 286 7.755 -6.798 3.336 1.00 0.67 C ATOM 1031 CE1 HIS A 286 7.896 -8.531 4.654 1.00 0.65 C ATOM 1032 NE2 HIS A 286 8.608 -7.654 3.974 1.00 0.52 N ATOM 0 H HIS A 286 7.119 -4.998 1.601 1.00 0.15 H new ATOM 0 HA HIS A 286 4.247 -5.016 2.098 1.00 0.13 H new ATOM 0 HB2 HIS A 286 4.502 -6.529 4.044 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.700 -7.333 2.499 1.00 0.18 H new ATOM 0 HD2 HIS A 286 8.040 -5.971 2.703 1.00 0.67 H new ATOM 0 HE1 HIS A 286 8.293 -9.333 5.259 1.00 0.65 H new ATOM 0 HE2 HIS A 286 9.627 -7.620 3.931 1.00 0.52 H new ATOM 1041 N PHE A 287 4.698 -3.252 3.721 1.00 0.14 N ATOM 1042 CA PHE A 287 4.966 -2.095 4.566 1.00 0.17 C ATOM 1043 C PHE A 287 3.680 -1.609 5.236 1.00 0.20 C ATOM 1044 O PHE A 287 2.627 -1.564 4.603 1.00 0.29 O ATOM 1045 CB PHE A 287 5.608 -0.963 3.749 1.00 0.20 C ATOM 1046 CG PHE A 287 7.070 -1.164 3.461 1.00 0.17 C ATOM 1047 CD1 PHE A 287 8.007 -1.080 4.480 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.509 -1.430 2.175 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.353 -1.257 4.219 1.00 0.32 C ATOM 1050 CE2 PHE A 287 8.853 -1.607 1.909 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.776 -1.522 2.932 1.00 0.30 C ATOM 0 H PHE A 287 3.742 -3.303 3.369 1.00 0.14 H new ATOM 0 HA PHE A 287 5.667 -2.396 5.344 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.073 -0.863 2.804 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.481 -0.024 4.288 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.681 -0.874 5.489 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.792 -1.500 1.370 1.00 0.21 H new ATOM 0 HE1 PHE A 287 10.073 -1.188 5.021 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.182 -1.812 0.901 1.00 0.25 H new ATOM 0 HZ PHE A 287 10.827 -1.663 2.726 1.00 0.30 H new ATOM 1061 N PRO A 288 3.762 -1.224 6.524 1.00 0.22 N ATOM 1062 CA PRO A 288 2.589 -0.858 7.325 1.00 0.26 C ATOM 1063 C PRO A 288 2.017 0.520 6.989 1.00 0.24 C ATOM 1064 O PRO A 288 2.602 1.293 6.220 1.00 0.28 O ATOM 1065 CB PRO A 288 3.110 -0.856 8.771 1.00 0.33 C ATOM 1066 CG PRO A 288 4.520 -1.351 8.714 1.00 0.54 C ATOM 1067 CD PRO A 288 4.998 -1.134 7.308 1.00 0.32 C ATOM 0 HA PRO A 288 1.772 -1.555 7.138 1.00 0.26 H new ATOM 0 HB2 PRO A 288 3.067 0.146 9.197 1.00 0.33 H new ATOM 0 HB3 PRO A 288 2.499 -1.498 9.405 1.00 0.33 H new ATOM 0 HG2 PRO A 288 5.148 -0.812 9.424 1.00 0.54 H new ATOM 0 HG3 PRO A 288 4.570 -2.407 8.981 1.00 0.54 H new ATOM 0 HD2 PRO A 288 5.481 -0.164 7.191 1.00 0.32 H new ATOM 0 HD3 PRO A 288 5.723 -1.890 7.007 1.00 0.32 H new ATOM 1075 N PHE A 289 0.880 0.823 7.612 1.00 0.31 N ATOM 1076 CA PHE A 289 0.167 2.084 7.412 1.00 0.37 C ATOM 1077 C PHE A 289 0.895 3.232 8.118 1.00 0.33 C ATOM 1078 O PHE A 289 0.605 4.408 7.896 1.00 0.39 O ATOM 1079 CB PHE A 289 -1.254 1.952 7.973 1.00 0.60 C ATOM 1080 CG PHE A 289 -2.226 2.979 7.463 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -2.369 4.208 8.086 1.00 1.07 C ATOM 1082 CD2 PHE A 289 -3.003 2.704 6.356 1.00 0.84 C ATOM 1083 CE1 PHE A 289 -3.269 5.141 7.609 1.00 1.12 C ATOM 1084 CE2 PHE A 289 -3.905 3.628 5.874 1.00 0.81 C ATOM 1085 CZ PHE A 289 -4.039 4.850 6.501 1.00 0.50 C ATOM 0 H PHE A 289 0.424 0.196 8.275 1.00 0.31 H new ATOM 0 HA PHE A 289 0.127 2.304 6.345 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.635 0.959 7.732 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -1.209 2.021 9.060 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -1.770 4.439 8.954 1.00 1.07 H new ATOM 0 HD2 PHE A 289 -2.903 1.750 5.860 1.00 0.84 H new ATOM 0 HE1 PHE A 289 -3.370 6.097 8.102 1.00 1.12 H new ATOM 0 HE2 PHE A 289 -4.506 3.396 5.007 1.00 0.81 H new ATOM 0 HZ PHE A 289 -4.744 5.577 6.126 1.00 0.50 H new ATOM 1095 N THR A 290 1.878 2.868 8.929 1.00 0.33 N ATOM 1096 CA THR A 290 2.545 3.774 9.853 1.00 0.41 C ATOM 1097 C THR A 290 3.305 4.924 9.174 1.00 0.38 C ATOM 1098 O THR A 290 3.860 5.787 9.855 1.00 0.57 O ATOM 1099 CB THR A 290 3.527 2.961 10.706 1.00 0.51 C ATOM 1100 OG1 THR A 290 4.248 2.056 9.856 1.00 0.50 O ATOM 1101 CG2 THR A 290 2.794 2.175 11.783 1.00 0.61 C ATOM 0 H THR A 290 2.241 1.916 8.964 1.00 0.33 H new ATOM 0 HA THR A 290 1.764 4.240 10.454 1.00 0.41 H new ATOM 0 HB THR A 290 4.217 3.648 11.196 1.00 0.51 H new ATOM 0 HG1 THR A 290 4.879 1.534 10.394 1.00 0.50 H new ATOM 0 HG21 THR A 290 3.514 1.608 12.373 1.00 0.61 H new ATOM 0 HG22 THR A 290 2.255 2.864 12.433 1.00 0.61 H new ATOM 0 HG23 THR A 290 2.087 1.489 11.316 1.00 0.61 H new ATOM 1109 N HIS A 291 3.326 4.952 7.849 1.00 0.25 N ATOM 1110 CA HIS A 291 4.110 5.949 7.125 1.00 0.26 C ATOM 1111 C HIS A 291 3.613 6.089 5.694 1.00 0.23 C ATOM 1112 O HIS A 291 4.374 6.427 4.783 1.00 0.26 O ATOM 1113 CB HIS A 291 5.609 5.592 7.152 1.00 0.35 C ATOM 1114 CG HIS A 291 5.930 4.157 6.821 1.00 0.40 C ATOM 1115 ND1 HIS A 291 7.153 3.587 7.082 1.00 1.01 N ATOM 1116 CD2 HIS A 291 5.182 3.179 6.255 1.00 1.26 C ATOM 1117 CE1 HIS A 291 7.145 2.329 6.695 1.00 0.72 C ATOM 1118 NE2 HIS A 291 5.957 2.048 6.190 1.00 0.88 N ATOM 0 H HIS A 291 2.813 4.301 7.254 1.00 0.25 H new ATOM 0 HA HIS A 291 3.983 6.910 7.624 1.00 0.26 H new ATOM 0 HB2 HIS A 291 6.133 6.237 6.447 1.00 0.35 H new ATOM 0 HB3 HIS A 291 6.002 5.817 8.143 1.00 0.35 H new ATOM 0 HD1 HIS A 291 7.946 4.066 7.510 1.00 1.01 H new ATOM 0 HD2 HIS A 291 4.161 3.273 5.916 1.00 1.26 H new ATOM 0 HE1 HIS A 291 7.973 1.640 6.777 1.00 0.72 H new ATOM 1127 N VAL A 292 2.330 5.826 5.500 1.00 0.21 N ATOM 1128 CA VAL A 292 1.714 5.957 4.193 1.00 0.21 C ATOM 1129 C VAL A 292 0.399 6.724 4.296 1.00 0.24 C ATOM 1130 O VAL A 292 -0.166 6.867 5.383 1.00 0.32 O ATOM 1131 CB VAL A 292 1.455 4.582 3.548 1.00 0.23 C ATOM 1132 CG1 VAL A 292 2.756 3.813 3.378 1.00 0.49 C ATOM 1133 CG2 VAL A 292 0.467 3.782 4.371 1.00 0.51 C ATOM 0 H VAL A 292 1.694 5.519 6.236 1.00 0.21 H new ATOM 0 HA VAL A 292 2.410 6.509 3.561 1.00 0.21 H new ATOM 0 HB VAL A 292 1.024 4.746 2.560 1.00 0.23 H new ATOM 0 HG11 VAL A 292 2.550 2.845 2.921 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.433 4.380 2.738 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.220 3.662 4.353 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.298 2.815 3.898 1.00 0.51 H new ATOM 0 HG22 VAL A 292 0.867 3.631 5.374 1.00 0.51 H new ATOM 0 HG23 VAL A 292 -0.476 4.324 4.435 1.00 0.51 H new ATOM 1143 N ARG A 293 -0.065 7.226 3.167 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.316 7.962 3.101 1.00 0.24 C ATOM 1145 C ARG A 293 -2.173 7.424 1.980 1.00 0.24 C ATOM 1146 O ARG A 293 -1.914 7.674 0.816 1.00 0.40 O ATOM 1147 CB ARG A 293 -1.038 9.436 2.875 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.270 10.076 4.018 1.00 0.38 C ATOM 1149 CD ARG A 293 -1.154 10.231 5.245 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.438 10.792 6.389 1.00 0.55 N ATOM 1151 CZ ARG A 293 -0.160 10.108 7.497 1.00 0.61 C ATOM 1152 NH1 ARG A 293 -0.381 8.801 7.548 1.00 0.69 N ATOM 1153 NH2 ARG A 293 0.374 10.724 8.544 1.00 0.74 N ATOM 0 H ARG A 293 0.413 7.136 2.270 1.00 0.21 H new ATOM 0 HA ARG A 293 -1.848 7.841 4.045 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.472 9.556 1.952 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -1.983 9.962 2.740 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.598 9.465 4.265 1.00 0.38 H new ATOM 0 HG3 ARG A 293 0.104 11.052 3.709 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -1.999 10.874 5.000 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.562 9.258 5.519 1.00 0.45 H new ATOM 0 HE ARG A 293 -0.134 11.764 6.335 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -0.765 8.317 6.737 1.00 0.69 H new ATOM 0 HH12 ARG A 293 -0.167 8.280 8.399 1.00 0.69 H new ATOM 0 HH21 ARG A 293 0.572 11.724 8.501 1.00 0.74 H new ATOM 0 HH22 ARG A 293 0.586 10.198 9.392 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.207 6.711 2.337 1.00 0.23 N ATOM 1168 CA LEU A 294 -3.901 5.879 1.380 1.00 0.26 C ATOM 1169 C LEU A 294 -4.857 6.657 0.497 1.00 0.27 C ATOM 1170 O LEU A 294 -5.516 7.612 0.908 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.613 4.753 2.113 1.00 0.38 C ATOM 1172 CG LEU A 294 -4.985 3.529 1.293 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -3.724 2.772 0.961 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -5.961 2.650 2.062 1.00 1.31 C ATOM 0 H LEU A 294 -3.590 6.687 3.282 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.156 5.460 0.704 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -3.978 4.429 2.937 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.525 5.157 2.553 1.00 0.38 H new ATOM 0 HG LEU A 294 -5.477 3.836 0.370 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -3.974 1.890 0.372 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -3.055 3.413 0.388 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -3.231 2.465 1.883 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -6.217 1.778 1.460 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -5.500 2.325 2.995 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -6.865 3.217 2.282 1.00 1.31 H new ATOM 1186 N LEU A 295 -4.873 6.214 -0.737 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.627 6.803 -1.806 1.00 0.31 C ATOM 1188 C LEU A 295 -6.777 5.905 -2.214 1.00 0.36 C ATOM 1189 O LEU A 295 -7.256 5.993 -3.336 1.00 0.52 O ATOM 1190 CB LEU A 295 -4.723 6.998 -3.001 1.00 0.33 C ATOM 1191 CG LEU A 295 -3.941 8.296 -3.060 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -2.823 8.309 -2.035 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -3.396 8.463 -4.454 1.00 0.39 C ATOM 0 H LEU A 295 -4.336 5.398 -1.031 1.00 0.27 H new ATOM 0 HA LEU A 295 -6.025 7.758 -1.462 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -4.013 6.172 -3.029 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.331 6.926 -3.903 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.601 9.130 -2.821 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.280 9.252 -2.101 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.244 8.202 -1.035 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.140 7.482 -2.231 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -2.830 9.393 -4.514 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -2.742 7.624 -4.692 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -4.221 8.493 -5.166 1.00 0.39 H new ATOM 1205 N ASP A 296 -7.089 4.967 -1.335 1.00 0.55 N ATOM 1206 CA ASP A 296 -8.334 4.179 -1.365 1.00 0.66 C ATOM 1207 C ASP A 296 -8.610 3.469 -2.700 1.00 0.86 C ATOM 1208 O ASP A 296 -7.903 3.641 -3.692 1.00 1.45 O ATOM 1209 CB ASP A 296 -9.523 5.058 -0.981 1.00 1.02 C ATOM 1210 CG ASP A 296 -9.429 5.568 0.446 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -9.413 4.736 1.381 1.00 1.84 O ATOM 1212 OD2 ASP A 296 -9.382 6.803 0.641 1.00 1.97 O ATOM 0 H ASP A 296 -6.477 4.718 -0.558 1.00 0.55 H new ATOM 0 HA ASP A 296 -8.195 3.384 -0.633 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -9.580 5.906 -1.664 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -10.445 4.489 -1.101 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.617 2.614 -2.689 1.00 0.62 N ATOM 1218 CA GLN A 297 -9.995 1.850 -3.861 1.00 0.87 C ATOM 1219 C GLN A 297 -11.019 2.609 -4.702 1.00 1.60 C ATOM 1220 O GLN A 297 -10.683 3.000 -5.838 1.00 2.38 O ATOM 1221 CB GLN A 297 -10.528 0.469 -3.444 1.00 1.01 C ATOM 1222 CG GLN A 297 -11.804 0.506 -2.612 1.00 2.20 C ATOM 1223 CD GLN A 297 -12.279 -0.872 -2.192 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -12.056 -1.867 -2.886 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -12.950 -0.941 -1.052 1.00 3.77 N ATOM 1226 OXT GLN A 297 -12.147 2.825 -4.224 1.00 2.17 O ATOM 0 H GLN A 297 -10.194 2.431 -1.868 1.00 0.62 H new ATOM 0 HA GLN A 297 -9.110 1.702 -4.480 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -10.712 -0.121 -4.342 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -9.755 -0.048 -2.876 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -11.633 1.112 -1.722 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -12.591 0.996 -3.185 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -13.115 -0.096 -0.505 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -13.302 -1.839 -0.721 1.00 3.77 H new