USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=12 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 290 THR OG1 : rot 180:sc= -0.767 USER MOD Set 1.2: A 291 HIS : no HD1:sc= -1.46 X(o=-2.2,f=-1.8) USER MOD Set 2.1: A 280 CYS SG : rot -0:sc= 1.07 USER MOD Set 2.2: A 281 ASN : amide:sc= 1.02 K(o=2.1,f=-0.29) USER MOD Single : A 228 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 229 THR OG1 : rot 75:sc= 1.1 USER MOD Single : A 233 ASN : amide:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : A 235 GLN : amide:sc= -4.82! K(o=-4.8!,f=-1) USER MOD Single : A 236 ASN : amide:sc=-0.00772 K(o=-0.0077,f=-2.8!) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.003) USER MOD Single : A 246 LYS NZ :NH3+ -113:sc= -1.28 (180deg=-6.97!) USER MOD Single : A 250 ASN : amide:sc= -1.43! K(o=-1.4!,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= -2.65! USER MOD Single : A 266 LYS NZ :NH3+ -125:sc= -0.392 (180deg=-2.91!) 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= -5.47! K(o=-5.5!,f=-1.3) USER MOD Single : A 272 MET CE :methyl 150:sc= -0.332 (180deg=-1.2) USER MOD Single : A 273 SER OG : rot 180:sc= 0.00981 USER MOD Single : A 275 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.013) USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HE2:sc= -1.05 K(o=-1,f=-1.6!) USER MOD Single : A 297 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 97 N ILE A 227 -10.147 0.540 3.453 1.00 1.37 N ATOM 98 CA ILE A 227 -9.510 -0.657 3.978 1.00 1.12 C ATOM 99 C ILE A 227 -8.821 -0.409 5.318 1.00 1.27 C ATOM 100 O ILE A 227 -7.647 -0.044 5.390 1.00 1.47 O ATOM 101 CB ILE A 227 -8.512 -1.289 2.969 1.00 0.97 C ATOM 102 CG1 ILE A 227 -9.247 -1.782 1.718 1.00 1.20 C ATOM 103 CG2 ILE A 227 -7.772 -2.458 3.607 1.00 1.14 C ATOM 104 CD1 ILE A 227 -9.744 -0.682 0.810 1.00 1.47 C ATOM 0 HA ILE A 227 -10.318 -1.370 4.142 1.00 1.12 H new ATOM 0 HB ILE A 227 -7.794 -0.519 2.685 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -8.579 -2.430 1.151 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -10.096 -2.392 2.027 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -7.078 -2.887 2.884 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -7.218 -2.107 4.478 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -8.490 -3.218 3.916 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -10.251 -1.121 -0.049 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -10.440 -0.046 1.357 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -8.900 -0.084 0.467 1.00 1.47 H new ATOM 116 N ASN A 228 -9.608 -0.540 6.363 1.00 1.52 N ATOM 117 CA ASN A 228 -9.109 -0.716 7.712 1.00 1.82 C ATOM 118 C ASN A 228 -10.094 -1.624 8.423 1.00 1.80 C ATOM 119 O ASN A 228 -11.193 -1.181 8.746 1.00 2.07 O ATOM 120 CB ASN A 228 -8.983 0.628 8.440 1.00 2.42 C ATOM 121 CG ASN A 228 -8.513 0.476 9.877 1.00 3.09 C ATOM 122 OD1 ASN A 228 -7.780 -0.455 10.212 1.00 3.44 O ATOM 123 ND2 ASN A 228 -8.933 1.392 10.736 1.00 3.83 N ATOM 0 H ASN A 228 -10.626 -0.527 6.301 1.00 1.52 H new ATOM 0 HA ASN A 228 -8.111 -1.153 7.698 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -8.283 1.265 7.899 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -9.948 1.134 8.430 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -8.650 1.341 11.715 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -9.540 2.148 10.419 1.00 3.83 H new ATOM 130 N THR A 229 -9.674 -2.882 8.647 1.00 1.66 N ATOM 131 CA THR A 229 -10.549 -4.006 9.061 1.00 1.67 C ATOM 132 C THR A 229 -10.480 -5.170 8.052 1.00 1.68 C ATOM 133 O THR A 229 -10.215 -6.306 8.443 1.00 2.22 O ATOM 134 CB THR A 229 -12.043 -3.622 9.268 1.00 1.80 C ATOM 135 OG1 THR A 229 -12.185 -2.806 10.440 1.00 1.91 O ATOM 136 CG2 THR A 229 -12.929 -4.853 9.402 1.00 1.88 C ATOM 0 H THR A 229 -8.697 -3.157 8.545 1.00 1.66 H new ATOM 0 HA THR A 229 -10.155 -4.309 10.031 1.00 1.67 H new ATOM 0 HB THR A 229 -12.362 -3.066 8.386 1.00 1.80 H new ATOM 0 HG1 THR A 229 -11.868 -1.899 10.247 1.00 1.91 H new ATOM 0 HG21 THR A 229 -13.964 -4.543 9.545 1.00 1.88 H new ATOM 0 HG22 THR A 229 -12.853 -5.456 8.497 1.00 1.88 H new ATOM 0 HG23 THR A 229 -12.605 -5.443 10.260 1.00 1.88 H new ATOM 144 N PRO A 230 -10.712 -4.924 6.741 1.00 1.34 N ATOM 145 CA PRO A 230 -10.767 -5.995 5.752 1.00 1.46 C ATOM 146 C PRO A 230 -9.399 -6.557 5.389 1.00 1.44 C ATOM 147 O PRO A 230 -8.531 -5.845 4.885 1.00 1.32 O ATOM 148 CB PRO A 230 -11.392 -5.347 4.510 1.00 1.46 C ATOM 149 CG PRO A 230 -11.733 -3.944 4.889 1.00 1.48 C ATOM 150 CD PRO A 230 -10.936 -3.616 6.115 1.00 1.35 C ATOM 0 HA PRO A 230 -11.333 -6.838 6.148 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -10.695 -5.364 3.672 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -12.283 -5.891 4.195 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -11.494 -3.256 4.078 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -12.801 -3.846 5.085 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -9.996 -3.126 5.863 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -11.479 -2.942 6.778 1.00 1.35 H new ATOM 158 N LEU A 231 -9.222 -7.842 5.651 1.00 1.78 N ATOM 159 CA LEU A 231 -8.065 -8.579 5.163 1.00 1.82 C ATOM 160 C LEU A 231 -8.271 -8.860 3.663 1.00 1.52 C ATOM 161 O LEU A 231 -9.262 -8.387 3.103 1.00 1.52 O ATOM 162 CB LEU A 231 -7.884 -9.874 5.981 1.00 2.34 C ATOM 163 CG LEU A 231 -8.971 -10.945 5.822 1.00 2.79 C ATOM 164 CD1 LEU A 231 -8.476 -12.272 6.372 1.00 3.30 C ATOM 165 CD2 LEU A 231 -10.252 -10.538 6.536 1.00 3.42 C ATOM 0 H LEU A 231 -9.871 -8.402 6.204 1.00 1.78 H new ATOM 0 HA LEU A 231 -7.151 -7.998 5.285 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -6.926 -10.318 5.709 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -7.823 -9.605 7.035 1.00 2.34 H new ATOM 0 HG LEU A 231 -9.190 -11.050 4.759 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -9.254 -13.027 6.255 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -7.584 -12.582 5.827 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -8.234 -12.160 7.429 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -11.004 -11.316 6.406 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -10.049 -10.403 7.598 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -10.621 -9.603 6.116 1.00 3.42 H new ATOM 177 N PRO A 232 -7.380 -9.620 2.972 1.00 1.40 N ATOM 178 CA PRO A 232 -7.508 -9.819 1.522 1.00 1.28 C ATOM 179 C PRO A 232 -8.902 -10.291 1.112 1.00 1.55 C ATOM 180 O PRO A 232 -9.416 -11.292 1.619 1.00 1.84 O ATOM 181 CB PRO A 232 -6.466 -10.893 1.216 1.00 1.40 C ATOM 182 CG PRO A 232 -5.437 -10.735 2.280 1.00 1.45 C ATOM 183 CD PRO A 232 -6.177 -10.292 3.511 1.00 1.54 C ATOM 0 HA PRO A 232 -7.356 -8.890 0.973 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -6.907 -11.890 1.236 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -6.035 -10.755 0.224 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -4.912 -11.674 2.457 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -4.686 -10.000 1.990 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -6.441 -11.138 4.146 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -5.577 -9.614 4.117 1.00 1.54 H new ATOM 191 N ASN A 233 -9.490 -9.550 0.179 1.00 1.58 N ATOM 192 CA ASN A 233 -10.873 -9.744 -0.246 1.00 2.01 C ATOM 193 C ASN A 233 -11.177 -8.777 -1.384 1.00 1.76 C ATOM 194 O ASN A 233 -11.849 -9.132 -2.355 1.00 2.31 O ATOM 195 CB ASN A 233 -11.835 -9.489 0.923 1.00 2.67 C ATOM 196 CG ASN A 233 -13.302 -9.610 0.538 1.00 3.38 C ATOM 197 OD1 ASN A 233 -14.143 -8.860 1.035 1.00 3.96 O ATOM 198 ND2 ASN A 233 -13.626 -10.570 -0.316 1.00 3.82 N ATOM 0 H ASN A 233 -9.016 -8.790 -0.309 1.00 1.58 H new ATOM 0 HA ASN A 233 -11.007 -10.772 -0.583 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -11.618 -10.197 1.723 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -11.653 -8.491 1.322 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -14.601 -10.708 -0.583 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -12.901 -11.171 -0.707 1.00 3.82 H new ATOM 205 N LEU A 234 -10.671 -7.544 -1.221 1.00 1.61 N ATOM 206 CA LEU A 234 -10.728 -6.491 -2.227 1.00 1.90 C ATOM 207 C LEU A 234 -12.003 -5.697 -2.089 1.00 1.69 C ATOM 208 O LEU A 234 -13.105 -6.188 -2.314 1.00 1.91 O ATOM 209 CB LEU A 234 -10.559 -6.985 -3.664 1.00 2.77 C ATOM 210 CG LEU A 234 -9.305 -7.824 -3.938 1.00 3.77 C ATOM 211 CD1 LEU A 234 -9.159 -8.087 -5.428 1.00 4.30 C ATOM 212 CD2 LEU A 234 -8.059 -7.143 -3.390 1.00 4.49 C ATOM 0 H LEU A 234 -10.202 -7.253 -0.363 1.00 1.61 H new ATOM 0 HA LEU A 234 -9.869 -5.850 -2.032 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -11.435 -7.577 -3.930 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -10.546 -6.120 -4.327 1.00 2.77 H new ATOM 0 HG LEU A 234 -9.418 -8.779 -3.425 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -8.264 -8.684 -5.606 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -10.034 -8.628 -5.789 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -9.074 -7.138 -5.958 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -7.185 -7.760 -3.599 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -7.937 -6.170 -3.865 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -8.161 -7.010 -2.313 1.00 4.49 H new ATOM 224 N GLN A 235 -11.812 -4.464 -1.690 1.00 1.58 N ATOM 225 CA GLN A 235 -12.881 -3.519 -1.489 1.00 1.78 C ATOM 226 C GLN A 235 -13.384 -3.003 -2.836 1.00 1.59 C ATOM 227 O GLN A 235 -14.579 -2.779 -3.028 1.00 1.97 O ATOM 228 CB GLN A 235 -12.307 -2.423 -0.599 1.00 2.17 C ATOM 229 CG GLN A 235 -13.026 -1.077 -0.634 1.00 2.56 C ATOM 230 CD GLN A 235 -12.543 -0.144 -1.731 1.00 3.18 C ATOM 231 OE1 GLN A 235 -13.312 0.656 -2.259 1.00 3.71 O ATOM 232 NE2 GLN A 235 -11.266 -0.222 -2.062 1.00 3.72 N ATOM 0 H GLN A 235 -10.888 -4.081 -1.492 1.00 1.58 H new ATOM 0 HA GLN A 235 -13.752 -3.962 -1.006 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -12.306 -2.783 0.430 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -11.267 -2.263 -0.882 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -14.094 -1.251 -0.764 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -12.898 -0.584 0.330 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -10.660 -0.900 -1.600 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -10.886 0.396 -2.779 1.00 3.72 H new ATOM 241 N ASN A 236 -12.453 -2.828 -3.757 1.00 1.40 N ATOM 242 CA ASN A 236 -12.774 -2.548 -5.151 1.00 1.65 C ATOM 243 C ASN A 236 -11.866 -3.390 -6.018 1.00 1.69 C ATOM 244 O ASN A 236 -12.282 -3.975 -7.013 1.00 2.36 O ATOM 245 CB ASN A 236 -12.577 -1.062 -5.472 1.00 2.09 C ATOM 246 CG ASN A 236 -12.629 -0.764 -6.962 1.00 2.95 C ATOM 247 OD1 ASN A 236 -11.602 -0.753 -7.640 1.00 3.67 O ATOM 248 ND2 ASN A 236 -13.821 -0.515 -7.480 1.00 3.34 N ATOM 0 H ASN A 236 -11.453 -2.875 -3.563 1.00 1.40 H new ATOM 0 HA ASN A 236 -13.819 -2.791 -5.342 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -13.347 -0.481 -4.964 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -11.616 -0.734 -5.075 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -13.911 -0.305 -8.474 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -14.649 -0.533 -6.885 1.00 3.34 H new ATOM 255 N GLY A 237 -10.617 -3.436 -5.601 1.00 1.32 N ATOM 256 CA GLY A 237 -9.633 -4.289 -6.212 1.00 1.67 C ATOM 257 C GLY A 237 -8.255 -3.831 -5.811 1.00 1.38 C ATOM 258 O GLY A 237 -7.569 -4.501 -5.041 1.00 1.70 O ATOM 0 H GLY A 237 -10.260 -2.878 -4.825 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -9.789 -5.322 -5.902 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -9.736 -4.262 -7.297 1.00 1.67 H new ATOM 262 N PRO A 238 -7.826 -2.679 -6.321 1.00 0.90 N ATOM 263 CA PRO A 238 -6.617 -2.011 -5.914 1.00 0.65 C ATOM 264 C PRO A 238 -6.911 -0.750 -5.123 1.00 0.50 C ATOM 265 O PRO A 238 -8.057 -0.314 -5.015 1.00 0.76 O ATOM 266 CB PRO A 238 -6.048 -1.627 -7.265 1.00 0.65 C ATOM 267 CG PRO A 238 -7.264 -1.210 -8.039 1.00 0.96 C ATOM 268 CD PRO A 238 -8.459 -1.894 -7.392 1.00 0.88 C ATOM 0 HA PRO A 238 -5.974 -2.617 -5.276 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.325 -0.816 -7.182 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -5.535 -2.464 -7.739 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -7.382 -0.127 -8.018 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -7.173 -1.501 -9.086 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -9.177 -1.174 -6.999 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -8.997 -2.527 -8.098 1.00 0.88 H new ATOM 276 N PHE A 239 -5.888 -0.226 -4.513 1.00 0.37 N ATOM 277 CA PHE A 239 -5.854 1.183 -4.180 1.00 0.28 C ATOM 278 C PHE A 239 -4.438 1.671 -4.329 1.00 0.27 C ATOM 279 O PHE A 239 -3.578 0.953 -4.827 1.00 0.51 O ATOM 280 CB PHE A 239 -6.391 1.473 -2.772 1.00 0.34 C ATOM 281 CG PHE A 239 -6.028 0.439 -1.774 1.00 0.41 C ATOM 282 CD1 PHE A 239 -4.738 0.312 -1.303 1.00 0.35 C ATOM 283 CD2 PHE A 239 -6.993 -0.413 -1.312 1.00 0.90 C ATOM 284 CE1 PHE A 239 -4.427 -0.658 -0.386 1.00 0.35 C ATOM 285 CE2 PHE A 239 -6.687 -1.380 -0.394 1.00 1.09 C ATOM 286 CZ PHE A 239 -5.400 -1.504 0.068 1.00 0.73 C ATOM 0 H PHE A 239 -5.059 -0.749 -4.232 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.513 1.717 -4.864 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -6.009 2.438 -2.438 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.477 1.558 -2.817 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -3.968 0.981 -1.659 1.00 0.35 H new ATOM 0 HD2 PHE A 239 -8.006 -0.322 -1.675 1.00 0.90 H new ATOM 0 HE1 PHE A 239 -3.415 -0.754 -0.023 1.00 0.35 H new ATOM 0 HE2 PHE A 239 -7.457 -2.045 -0.033 1.00 1.09 H new ATOM 0 HZ PHE A 239 -5.157 -2.270 0.790 1.00 0.73 H new ATOM 296 N TYR A 240 -4.204 2.878 -3.905 1.00 0.16 N ATOM 297 CA TYR A 240 -2.895 3.466 -3.963 1.00 0.21 C ATOM 298 C TYR A 240 -2.554 3.937 -2.574 1.00 0.21 C ATOM 299 O TYR A 240 -3.441 4.091 -1.758 1.00 0.36 O ATOM 300 CB TYR A 240 -2.866 4.644 -4.946 1.00 0.25 C ATOM 301 CG TYR A 240 -3.499 4.347 -6.289 1.00 0.25 C ATOM 302 CD1 TYR A 240 -2.911 3.457 -7.167 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.683 4.961 -6.673 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.480 3.178 -8.396 1.00 0.38 C ATOM 305 CE2 TYR A 240 -5.263 4.691 -7.898 1.00 0.46 C ATOM 306 CZ TYR A 240 -4.658 3.798 -8.757 1.00 0.45 C ATOM 307 OH TYR A 240 -5.227 3.529 -9.982 1.00 0.59 O ATOM 0 H TYR A 240 -4.919 3.487 -3.507 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.168 2.734 -4.315 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.380 5.492 -4.494 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -1.831 4.946 -5.104 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -1.989 2.969 -6.888 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -5.159 5.662 -6.003 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -3.005 2.479 -9.069 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -6.185 5.177 -8.181 1.00 0.46 H new ATOM 0 HH TYR A 240 -6.053 4.047 -10.080 1.00 0.59 H new ATOM 317 N ALA A 241 -1.294 4.113 -2.279 1.00 0.17 N ATOM 318 CA ALA A 241 -0.911 4.731 -1.028 1.00 0.19 C ATOM 319 C ALA A 241 0.360 5.517 -1.223 1.00 0.15 C ATOM 320 O ALA A 241 1.396 4.965 -1.591 1.00 0.19 O ATOM 321 CB ALA A 241 -0.736 3.704 0.082 1.00 0.35 C ATOM 0 H ALA A 241 -0.516 3.841 -2.880 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.713 5.402 -0.722 1.00 0.19 H new ATOM 0 HB1 ALA A 241 -0.448 4.210 1.004 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.675 3.173 0.237 1.00 0.35 H new ATOM 0 HB3 ALA A 241 0.041 2.993 -0.199 1.00 0.35 H new ATOM 327 N ARG A 242 0.281 6.807 -0.992 1.00 0.16 N ATOM 328 CA ARG A 242 1.437 7.647 -1.096 1.00 0.16 C ATOM 329 C ARG A 242 2.283 7.477 0.144 1.00 0.14 C ATOM 330 O ARG A 242 1.861 7.778 1.258 1.00 0.23 O ATOM 331 CB ARG A 242 1.049 9.118 -1.311 1.00 0.29 C ATOM 332 CG ARG A 242 2.222 10.080 -1.172 1.00 0.33 C ATOM 333 CD ARG A 242 2.372 10.555 0.244 1.00 0.79 C ATOM 334 NE ARG A 242 1.167 11.244 0.721 1.00 1.19 N ATOM 335 CZ ARG A 242 1.085 12.563 0.912 1.00 1.66 C ATOM 336 NH1 ARG A 242 2.089 13.351 0.555 1.00 1.90 N ATOM 337 NH2 ARG A 242 -0.028 13.100 1.401 1.00 2.05 N ATOM 0 H ARG A 242 -0.577 7.293 -0.731 1.00 0.16 H new ATOM 0 HA ARG A 242 2.016 7.347 -1.970 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.613 9.230 -2.304 1.00 0.29 H new ATOM 0 HB3 ARG A 242 0.277 9.391 -0.591 1.00 0.29 H new ATOM 0 HG2 ARG A 242 3.140 9.586 -1.492 1.00 0.33 H new ATOM 0 HG3 ARG A 242 2.074 10.935 -1.831 1.00 0.33 H new ATOM 0 HD2 ARG A 242 2.584 9.704 0.892 1.00 0.79 H new ATOM 0 HD3 ARG A 242 3.226 11.228 0.312 1.00 0.79 H new ATOM 0 HE ARG A 242 0.341 10.680 0.919 1.00 1.19 H new ATOM 0 HH11 ARG A 242 2.927 12.950 0.133 1.00 1.90 H new ATOM 0 HH12 ARG A 242 2.024 14.358 0.702 1.00 1.90 H new ATOM 0 HH21 ARG A 242 -0.823 12.504 1.632 1.00 2.05 H new ATOM 0 HH22 ARG A 242 -0.087 14.108 1.546 1.00 2.05 H new ATOM 351 N VAL A 243 3.456 6.949 -0.062 1.00 0.10 N ATOM 352 CA VAL A 243 4.414 6.799 0.990 1.00 0.14 C ATOM 353 C VAL A 243 5.040 8.138 1.327 1.00 0.11 C ATOM 354 O VAL A 243 5.705 8.754 0.496 1.00 0.15 O ATOM 355 CB VAL A 243 5.510 5.791 0.598 1.00 0.20 C ATOM 356 CG1 VAL A 243 6.059 6.078 -0.793 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.622 5.810 1.623 1.00 0.32 C ATOM 0 H VAL A 243 3.774 6.610 -0.970 1.00 0.10 H new ATOM 0 HA VAL A 243 3.893 6.417 1.868 1.00 0.14 H new ATOM 0 HB VAL A 243 5.064 4.797 0.576 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.830 5.348 -1.038 1.00 0.23 H new ATOM 0 HG12 VAL A 243 5.252 6.012 -1.523 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.488 7.080 -0.815 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.392 5.094 1.337 1.00 0.32 H new ATOM 0 HG22 VAL A 243 7.055 6.809 1.671 1.00 0.32 H new ATOM 0 HG23 VAL A 243 6.221 5.541 2.600 1.00 0.32 H new ATOM 367 N ILE A 244 4.808 8.607 2.536 1.00 0.13 N ATOM 368 CA ILE A 244 5.455 9.827 2.961 1.00 0.15 C ATOM 369 C ILE A 244 6.783 9.516 3.633 1.00 0.14 C ATOM 370 O ILE A 244 7.613 10.393 3.779 1.00 0.20 O ATOM 371 CB ILE A 244 4.618 10.710 3.918 1.00 0.25 C ATOM 372 CG1 ILE A 244 3.842 9.870 4.933 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.686 11.616 3.132 1.00 0.32 C ATOM 374 CD1 ILE A 244 2.575 9.280 4.373 1.00 0.76 C ATOM 0 H ILE A 244 4.193 8.174 3.225 1.00 0.13 H new ATOM 0 HA ILE A 244 5.593 10.400 2.044 1.00 0.15 H new ATOM 0 HB ILE A 244 5.311 11.335 4.481 1.00 0.25 H new ATOM 0 HG12 ILE A 244 4.482 9.064 5.292 1.00 0.37 H new ATOM 0 HG13 ILE A 244 3.596 10.490 5.795 1.00 0.37 H new ATOM 0 HG21 ILE A 244 3.106 12.229 3.822 1.00 0.32 H new ATOM 0 HG22 ILE A 244 4.272 12.262 2.478 1.00 0.32 H new ATOM 0 HG23 ILE A 244 3.010 11.009 2.531 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.073 8.696 5.145 1.00 0.76 H new ATOM 0 HD12 ILE A 244 1.917 10.082 4.039 1.00 0.76 H new ATOM 0 HD13 ILE A 244 2.817 8.634 3.529 1.00 0.76 H new ATOM 386 N GLN A 245 6.964 8.267 4.083 1.00 0.12 N ATOM 387 CA GLN A 245 8.253 7.831 4.632 1.00 0.14 C ATOM 388 C GLN A 245 8.500 6.346 4.421 1.00 0.14 C ATOM 389 O GLN A 245 7.873 5.495 5.055 1.00 0.17 O ATOM 390 CB GLN A 245 8.364 8.163 6.118 1.00 0.21 C ATOM 391 CG GLN A 245 8.534 9.644 6.387 1.00 0.33 C ATOM 392 CD GLN A 245 8.698 9.962 7.862 1.00 0.54 C ATOM 393 OE1 GLN A 245 8.308 11.031 8.329 1.00 1.19 O ATOM 394 NE2 GLN A 245 9.289 9.041 8.607 1.00 1.06 N ATOM 0 H GLN A 245 6.241 7.547 4.078 1.00 0.12 H new ATOM 0 HA GLN A 245 9.018 8.381 4.084 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.470 7.807 6.631 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.211 7.624 6.542 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.405 10.009 5.843 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.668 10.180 5.999 1.00 0.33 H new ATOM 0 HE21 GLN A 245 9.599 8.166 8.185 1.00 1.06 H new ATOM 0 HE22 GLN A 245 9.434 9.207 9.603 1.00 1.06 H new ATOM 403 N LYS A 246 9.383 6.047 3.483 1.00 0.15 N ATOM 404 CA LYS A 246 9.884 4.698 3.285 1.00 0.16 C ATOM 405 C LYS A 246 11.386 4.730 3.085 1.00 0.22 C ATOM 406 O LYS A 246 11.975 5.793 2.881 1.00 0.29 O ATOM 407 CB LYS A 246 9.233 4.006 2.089 1.00 0.18 C ATOM 408 CG LYS A 246 8.635 2.646 2.422 1.00 0.20 C ATOM 409 CD LYS A 246 7.271 2.778 3.092 1.00 0.29 C ATOM 410 CE LYS A 246 6.222 1.920 2.402 1.00 0.28 C ATOM 411 NZ LYS A 246 5.864 2.444 1.058 1.00 0.36 N ATOM 0 H LYS A 246 9.773 6.733 2.837 1.00 0.15 H new ATOM 0 HA LYS A 246 9.632 4.128 4.179 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.449 4.650 1.690 1.00 0.18 H new ATOM 0 HB3 LYS A 246 9.977 3.883 1.302 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.537 2.058 1.509 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.313 2.102 3.080 1.00 0.20 H new ATOM 0 HD2 LYS A 246 7.350 2.485 4.139 1.00 0.29 H new ATOM 0 HD3 LYS A 246 6.956 3.822 3.075 1.00 0.29 H new ATOM 0 HE2 LYS A 246 6.595 0.901 2.305 1.00 0.28 H new ATOM 0 HE3 LYS A 246 5.327 1.874 3.022 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 4.880 2.779 1.067 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 6.496 3.233 0.813 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 5.965 1.687 0.352 1.00 0.36 H new ATOM 425 N ARG A 247 11.992 3.566 3.150 1.00 0.27 N ATOM 426 CA ARG A 247 13.386 3.409 2.807 1.00 0.37 C ATOM 427 C ARG A 247 13.414 2.877 1.389 1.00 0.27 C ATOM 428 O ARG A 247 12.378 2.435 0.902 1.00 0.21 O ATOM 429 CB ARG A 247 14.069 2.431 3.769 1.00 0.55 C ATOM 430 CG ARG A 247 13.740 0.970 3.495 1.00 0.69 C ATOM 431 CD ARG A 247 14.053 0.090 4.688 1.00 0.72 C ATOM 432 NE ARG A 247 13.886 -1.333 4.389 1.00 1.24 N ATOM 433 CZ ARG A 247 14.904 -2.186 4.276 1.00 1.29 C ATOM 434 NH1 ARG A 247 16.147 -1.731 4.310 1.00 1.33 N ATOM 435 NH2 ARG A 247 14.683 -3.480 4.085 1.00 2.10 N ATOM 0 H ARG A 247 11.533 2.703 3.442 1.00 0.27 H new ATOM 0 HA ARG A 247 13.924 4.354 2.883 1.00 0.37 H new ATOM 0 HB2 ARG A 247 15.148 2.569 3.707 1.00 0.55 H new ATOM 0 HB3 ARG A 247 13.775 2.675 4.790 1.00 0.55 H new ATOM 0 HG2 ARG A 247 12.684 0.877 3.241 1.00 0.69 H new ATOM 0 HG3 ARG A 247 14.307 0.626 2.630 1.00 0.69 H new ATOM 0 HD2 ARG A 247 15.077 0.273 5.012 1.00 0.72 H new ATOM 0 HD3 ARG A 247 13.402 0.363 5.519 1.00 0.72 H new ATOM 0 HE ARG A 247 12.940 -1.691 4.260 1.00 1.24 H new ATOM 0 HH11 ARG A 247 16.322 -0.732 4.422 1.00 1.33 H new ATOM 0 HH12 ARG A 247 16.930 -2.379 4.224 1.00 1.33 H new ATOM 0 HH21 ARG A 247 13.727 -3.830 4.023 1.00 2.10 H new ATOM 0 HH22 ARG A 247 15.469 -4.124 4.000 1.00 2.10 H new ATOM 449 N VAL A 248 14.546 2.932 0.713 1.00 0.32 N ATOM 450 CA VAL A 248 14.631 2.341 -0.611 1.00 0.31 C ATOM 451 C VAL A 248 15.326 0.983 -0.510 1.00 0.26 C ATOM 452 O VAL A 248 16.550 0.887 -0.589 1.00 0.30 O ATOM 453 CB VAL A 248 15.389 3.254 -1.603 1.00 0.45 C ATOM 454 CG1 VAL A 248 15.231 2.748 -3.028 1.00 1.12 C ATOM 455 CG2 VAL A 248 14.905 4.692 -1.491 1.00 1.18 C ATOM 0 H VAL A 248 15.404 3.370 1.049 1.00 0.32 H new ATOM 0 HA VAL A 248 13.619 2.217 -0.995 1.00 0.31 H new ATOM 0 HB VAL A 248 16.448 3.228 -1.345 1.00 0.45 H new ATOM 0 HG11 VAL A 248 15.772 3.405 -3.709 1.00 1.12 H new ATOM 0 HG12 VAL A 248 15.633 1.738 -3.102 1.00 1.12 H new ATOM 0 HG13 VAL A 248 14.174 2.738 -3.296 1.00 1.12 H new ATOM 0 HG21 VAL A 248 15.452 5.316 -2.198 1.00 1.18 H new ATOM 0 HG22 VAL A 248 13.840 4.736 -1.717 1.00 1.18 H new ATOM 0 HG23 VAL A 248 15.076 5.056 -0.478 1.00 1.18 H new ATOM 465 N PRO A 249 14.540 -0.079 -0.295 1.00 0.20 N ATOM 466 CA PRO A 249 15.021 -1.428 -0.103 1.00 0.20 C ATOM 467 C PRO A 249 14.897 -2.294 -1.343 1.00 0.27 C ATOM 468 O PRO A 249 14.285 -1.906 -2.335 1.00 0.34 O ATOM 469 CB PRO A 249 14.089 -1.949 1.001 1.00 0.21 C ATOM 470 CG PRO A 249 12.932 -0.990 1.044 1.00 0.23 C ATOM 471 CD PRO A 249 13.103 -0.064 -0.131 1.00 0.22 C ATOM 0 HA PRO A 249 16.084 -1.453 0.138 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.750 -2.961 0.782 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.603 -1.986 1.962 1.00 0.21 H new ATOM 0 HG2 PRO A 249 11.983 -1.523 0.983 1.00 0.23 H new ATOM 0 HG3 PRO A 249 12.925 -0.432 1.980 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.584 -0.426 -1.019 1.00 0.22 H new ATOM 0 HD3 PRO A 249 12.723 0.937 0.075 1.00 0.22 H new ATOM 479 N ASN A 250 15.511 -3.459 -1.292 1.00 0.31 N ATOM 480 CA ASN A 250 15.417 -4.401 -2.375 1.00 0.39 C ATOM 481 C ASN A 250 14.354 -5.455 -2.150 1.00 0.36 C ATOM 482 O ASN A 250 14.013 -5.793 -1.019 1.00 0.35 O ATOM 483 CB ASN A 250 16.764 -5.067 -2.631 1.00 0.51 C ATOM 484 CG ASN A 250 17.473 -5.563 -1.371 1.00 1.13 C ATOM 485 OD1 ASN A 250 18.699 -5.636 -1.334 1.00 1.97 O ATOM 486 ND2 ASN A 250 16.725 -5.896 -0.331 1.00 1.56 N ATOM 0 H ASN A 250 16.081 -3.771 -0.506 1.00 0.31 H new ATOM 0 HA ASN A 250 15.121 -3.828 -3.254 1.00 0.39 H new ATOM 0 HB2 ASN A 250 16.616 -5.910 -3.306 1.00 0.51 H new ATOM 0 HB3 ASN A 250 17.414 -4.358 -3.144 1.00 0.51 H new ATOM 0 HD21 ASN A 250 17.164 -6.223 0.529 1.00 1.56 H new ATOM 0 HD22 ASN A 250 15.709 -5.825 -0.390 1.00 1.56 H new ATOM 493 N ALA A 251 13.870 -5.982 -3.259 1.00 0.43 N ATOM 494 CA ALA A 251 12.916 -7.083 -3.266 1.00 0.48 C ATOM 495 C ALA A 251 13.543 -8.350 -2.690 1.00 0.53 C ATOM 496 O ALA A 251 12.854 -9.334 -2.439 1.00 0.60 O ATOM 497 CB ALA A 251 12.422 -7.336 -4.681 1.00 0.59 C ATOM 0 H ALA A 251 14.128 -5.657 -4.191 1.00 0.43 H new ATOM 0 HA ALA A 251 12.069 -6.808 -2.638 1.00 0.48 H new ATOM 0 HB1 ALA A 251 11.709 -8.161 -4.676 1.00 0.59 H new ATOM 0 HB2 ALA A 251 11.935 -6.438 -5.062 1.00 0.59 H new ATOM 0 HB3 ALA A 251 13.267 -7.590 -5.321 1.00 0.59 H new ATOM 503 N TYR A 252 14.861 -8.326 -2.505 1.00 0.54 N ATOM 504 CA TYR A 252 15.565 -9.425 -1.863 1.00 0.65 C ATOM 505 C TYR A 252 15.227 -9.435 -0.377 1.00 0.60 C ATOM 506 O TYR A 252 15.331 -10.458 0.300 1.00 0.69 O ATOM 507 CB TYR A 252 17.079 -9.293 -2.073 1.00 0.77 C ATOM 508 CG TYR A 252 17.885 -10.406 -1.439 1.00 1.63 C ATOM 509 CD1 TYR A 252 17.765 -11.718 -1.882 1.00 1.89 C ATOM 510 CD2 TYR A 252 18.759 -10.144 -0.393 1.00 2.46 C ATOM 511 CE1 TYR A 252 18.496 -12.735 -1.299 1.00 2.83 C ATOM 512 CE2 TYR A 252 19.492 -11.156 0.195 1.00 3.46 C ATOM 513 CZ TYR A 252 19.357 -12.448 -0.262 1.00 3.61 C ATOM 514 OH TYR A 252 20.086 -13.460 0.328 1.00 4.61 O ATOM 0 H TYR A 252 15.461 -7.553 -2.793 1.00 0.54 H new ATOM 0 HA TYR A 252 15.248 -10.367 -2.311 1.00 0.65 H new ATOM 0 HB2 TYR A 252 17.287 -9.271 -3.143 1.00 0.77 H new ATOM 0 HB3 TYR A 252 17.411 -8.339 -1.664 1.00 0.77 H new ATOM 0 HD1 TYR A 252 17.090 -11.946 -2.694 1.00 1.89 H new ATOM 0 HD2 TYR A 252 18.868 -9.132 -0.033 1.00 2.46 H new ATOM 0 HE1 TYR A 252 18.393 -13.750 -1.654 1.00 2.83 H new ATOM 0 HE2 TYR A 252 20.167 -10.935 1.009 1.00 3.46 H new ATOM 0 HH TYR A 252 20.645 -13.087 1.042 1.00 4.61 H new ATOM 524 N ASP A 253 14.811 -8.277 0.116 1.00 0.50 N ATOM 525 CA ASP A 253 14.361 -8.139 1.486 1.00 0.51 C ATOM 526 C ASP A 253 12.922 -8.540 1.575 1.00 0.48 C ATOM 527 O ASP A 253 12.030 -7.700 1.488 1.00 0.43 O ATOM 528 CB ASP A 253 14.520 -6.710 1.965 1.00 0.49 C ATOM 529 CG ASP A 253 13.963 -6.482 3.364 1.00 0.79 C ATOM 530 OD1 ASP A 253 14.510 -7.038 4.339 1.00 0.85 O ATOM 531 OD2 ASP A 253 12.938 -5.773 3.484 1.00 1.32 O ATOM 0 H ASP A 253 14.777 -7.412 -0.423 1.00 0.50 H new ATOM 0 HA ASP A 253 14.969 -8.784 2.121 1.00 0.51 H new ATOM 0 HB2 ASP A 253 15.577 -6.445 1.954 1.00 0.49 H new ATOM 0 HB3 ASP A 253 14.017 -6.041 1.267 1.00 0.49 H new ATOM 536 N LYS A 254 12.707 -9.828 1.748 1.00 0.55 N ATOM 537 CA LYS A 254 11.397 -10.409 1.625 1.00 0.55 C ATOM 538 C LYS A 254 10.926 -10.119 0.212 1.00 0.49 C ATOM 539 O LYS A 254 11.172 -10.915 -0.693 1.00 0.54 O ATOM 540 CB LYS A 254 10.436 -9.867 2.699 1.00 0.57 C ATOM 541 CG LYS A 254 11.088 -9.647 4.062 1.00 0.73 C ATOM 542 CD LYS A 254 11.674 -10.919 4.652 1.00 1.32 C ATOM 543 CE LYS A 254 13.178 -11.003 4.423 1.00 1.62 C ATOM 544 NZ LYS A 254 13.733 -12.298 4.896 1.00 2.40 N ATOM 0 H LYS A 254 13.441 -10.498 1.978 1.00 0.55 H new ATOM 0 HA LYS A 254 11.424 -11.486 1.793 1.00 0.55 H new ATOM 0 HB2 LYS A 254 10.015 -8.923 2.352 1.00 0.57 H new ATOM 0 HB3 LYS A 254 9.605 -10.563 2.813 1.00 0.57 H new ATOM 0 HG2 LYS A 254 11.877 -8.901 3.965 1.00 0.73 H new ATOM 0 HG3 LYS A 254 10.348 -9.241 4.751 1.00 0.73 H new ATOM 0 HD2 LYS A 254 11.466 -10.954 5.721 1.00 1.32 H new ATOM 0 HD3 LYS A 254 11.188 -11.786 4.204 1.00 1.32 H new ATOM 0 HE2 LYS A 254 13.392 -10.881 3.361 1.00 1.62 H new ATOM 0 HE3 LYS A 254 13.672 -10.183 4.944 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 14.758 -12.320 4.724 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 13.550 -12.403 5.914 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 13.279 -13.079 4.381 1.00 2.40 H new ATOM 558 N THR A 255 10.263 -8.988 0.019 1.00 0.42 N ATOM 559 CA THR A 255 10.034 -8.461 -1.314 1.00 0.39 C ATOM 560 C THR A 255 10.146 -6.931 -1.374 1.00 0.31 C ATOM 561 O THR A 255 9.915 -6.358 -2.419 1.00 0.32 O ATOM 562 CB THR A 255 8.680 -8.930 -1.875 1.00 0.47 C ATOM 563 OG1 THR A 255 7.678 -8.876 -0.848 1.00 0.49 O ATOM 564 CG2 THR A 255 8.786 -10.346 -2.413 1.00 0.60 C ATOM 0 H THR A 255 9.875 -8.419 0.771 1.00 0.42 H new ATOM 0 HA THR A 255 10.828 -8.863 -1.943 1.00 0.39 H new ATOM 0 HB THR A 255 8.397 -8.266 -2.692 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.819 -9.174 -1.213 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.819 -10.660 -2.805 1.00 0.60 H new ATOM 0 HG22 THR A 255 9.528 -10.378 -3.210 1.00 0.60 H new ATOM 0 HG23 THR A 255 9.087 -11.019 -1.610 1.00 0.60 H new ATOM 572 N ALA A 256 10.617 -6.326 -0.281 1.00 0.26 N ATOM 573 CA ALA A 256 10.433 -4.891 0.051 1.00 0.21 C ATOM 574 C ALA A 256 10.261 -3.907 -1.120 1.00 0.17 C ATOM 575 O ALA A 256 11.062 -3.863 -2.057 1.00 0.21 O ATOM 576 CB ALA A 256 11.589 -4.430 0.919 1.00 0.23 C ATOM 0 H ALA A 256 11.155 -6.827 0.426 1.00 0.26 H new ATOM 0 HA ALA A 256 9.471 -4.862 0.563 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.460 -3.376 1.167 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.612 -5.018 1.836 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.526 -4.564 0.378 1.00 0.23 H new ATOM 582 N LEU A 257 9.198 -3.083 -1.000 1.00 0.14 N ATOM 583 CA LEU A 257 8.922 -1.970 -1.922 1.00 0.14 C ATOM 584 C LEU A 257 10.072 -0.988 -1.967 1.00 0.13 C ATOM 585 O LEU A 257 10.352 -0.323 -0.970 1.00 0.15 O ATOM 586 CB LEU A 257 7.688 -1.156 -1.481 1.00 0.15 C ATOM 587 CG LEU A 257 6.325 -1.659 -1.920 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.345 -2.037 -3.387 1.00 0.21 C ATOM 589 CD2 LEU A 257 5.885 -2.806 -1.048 1.00 0.21 C ATOM 0 H LEU A 257 8.506 -3.175 -0.256 1.00 0.14 H new ATOM 0 HA LEU A 257 8.759 -2.433 -2.895 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.692 -1.102 -0.392 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.806 -0.138 -1.851 1.00 0.15 H new ATOM 0 HG LEU A 257 5.595 -0.858 -1.802 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.359 -2.395 -3.684 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.609 -1.164 -3.984 1.00 0.21 H new ATOM 0 HD13 LEU A 257 7.081 -2.824 -3.550 1.00 0.21 H new ATOM 0 HD21 LEU A 257 4.906 -3.156 -1.374 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.606 -3.620 -1.126 1.00 0.21 H new ATOM 0 HD23 LEU A 257 5.824 -2.473 -0.012 1.00 0.21 H new ATOM 601 N ALA A 258 10.701 -0.857 -3.117 1.00 0.14 N ATOM 602 CA ALA A 258 11.723 0.154 -3.288 1.00 0.16 C ATOM 603 C ALA A 258 11.091 1.483 -3.667 1.00 0.17 C ATOM 604 O ALA A 258 10.759 1.712 -4.830 1.00 0.24 O ATOM 605 CB ALA A 258 12.717 -0.286 -4.347 1.00 0.22 C ATOM 0 H ALA A 258 10.525 -1.433 -3.940 1.00 0.14 H new ATOM 0 HA ALA A 258 12.254 0.283 -2.345 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.482 0.481 -4.469 1.00 0.22 H new ATOM 0 HB2 ALA A 258 13.186 -1.221 -4.040 1.00 0.22 H new ATOM 0 HB3 ALA A 258 12.198 -0.434 -5.294 1.00 0.22 H new ATOM 611 N LEU A 259 10.893 2.346 -2.680 1.00 0.13 N ATOM 612 CA LEU A 259 10.319 3.665 -2.916 1.00 0.15 C ATOM 613 C LEU A 259 10.699 4.607 -1.783 1.00 0.15 C ATOM 614 O LEU A 259 11.103 4.161 -0.714 1.00 0.18 O ATOM 615 CB LEU A 259 8.791 3.581 -3.107 1.00 0.20 C ATOM 616 CG LEU A 259 8.096 2.389 -2.435 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.283 2.426 -0.932 1.00 0.66 C ATOM 618 CD2 LEU A 259 6.616 2.363 -2.781 1.00 0.55 C ATOM 0 H LEU A 259 11.122 2.156 -1.704 1.00 0.13 H new ATOM 0 HA LEU A 259 10.730 4.068 -3.842 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.345 4.499 -2.725 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.579 3.545 -4.176 1.00 0.20 H new ATOM 0 HG LEU A 259 8.558 1.478 -2.815 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.780 1.570 -0.482 1.00 0.66 H new ATOM 0 HD12 LEU A 259 9.347 2.387 -0.697 1.00 0.66 H new ATOM 0 HD13 LEU A 259 7.857 3.347 -0.535 1.00 0.66 H new ATOM 0 HD21 LEU A 259 6.143 1.510 -2.294 1.00 0.55 H new ATOM 0 HD22 LEU A 259 6.146 3.284 -2.437 1.00 0.55 H new ATOM 0 HD23 LEU A 259 6.496 2.276 -3.861 1.00 0.55 H new ATOM 630 N GLU A 260 10.559 5.899 -2.004 1.00 0.18 N ATOM 631 CA GLU A 260 11.017 6.880 -1.062 1.00 0.24 C ATOM 632 C GLU A 260 9.875 7.814 -0.705 1.00 0.20 C ATOM 633 O GLU A 260 8.735 7.612 -1.115 1.00 0.21 O ATOM 634 CB GLU A 260 12.216 7.648 -1.643 1.00 0.39 C ATOM 635 CG GLU A 260 11.884 9.012 -2.242 1.00 0.52 C ATOM 636 CD GLU A 260 13.051 9.616 -2.991 1.00 0.96 C ATOM 637 OE1 GLU A 260 13.856 10.343 -2.372 1.00 1.74 O ATOM 638 OE2 GLU A 260 13.175 9.368 -4.207 1.00 1.27 O ATOM 0 H GLU A 260 10.125 6.289 -2.841 1.00 0.18 H new ATOM 0 HA GLU A 260 11.351 6.387 -0.149 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.956 7.785 -0.855 1.00 0.39 H new ATOM 0 HB3 GLU A 260 12.682 7.034 -2.414 1.00 0.39 H new ATOM 0 HG2 GLU A 260 11.035 8.911 -2.919 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.578 9.690 -1.445 1.00 0.52 H new ATOM 645 N VAL A 261 10.189 8.802 0.083 1.00 0.33 N ATOM 646 CA VAL A 261 9.236 9.791 0.520 1.00 0.32 C ATOM 647 C VAL A 261 8.640 10.590 -0.625 1.00 0.22 C ATOM 648 O VAL A 261 9.357 11.081 -1.498 1.00 0.28 O ATOM 649 CB VAL A 261 9.945 10.723 1.477 1.00 0.43 C ATOM 650 CG1 VAL A 261 9.059 11.893 1.852 1.00 0.92 C ATOM 651 CG2 VAL A 261 10.372 9.892 2.654 1.00 0.93 C ATOM 0 H VAL A 261 11.130 8.949 0.448 1.00 0.33 H new ATOM 0 HA VAL A 261 8.404 9.276 0.999 1.00 0.32 H new ATOM 0 HB VAL A 261 10.825 11.177 1.022 1.00 0.43 H new ATOM 0 HG11 VAL A 261 9.593 12.548 2.541 1.00 0.92 H new ATOM 0 HG12 VAL A 261 8.793 12.451 0.954 1.00 0.92 H new ATOM 0 HG13 VAL A 261 8.152 11.524 2.331 1.00 0.92 H new ATOM 0 HG21 VAL A 261 10.891 10.523 3.376 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.494 9.449 3.124 1.00 0.93 H new ATOM 0 HG23 VAL A 261 11.041 9.101 2.317 1.00 0.93 H new ATOM 661 N GLY A 262 7.323 10.716 -0.618 1.00 0.17 N ATOM 662 CA GLY A 262 6.673 11.548 -1.590 1.00 0.20 C ATOM 663 C GLY A 262 6.157 10.750 -2.755 1.00 0.22 C ATOM 664 O GLY A 262 5.582 11.303 -3.693 1.00 0.31 O ATOM 0 H GLY A 262 6.699 10.256 0.044 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.846 12.079 -1.119 1.00 0.20 H new ATOM 0 HA3 GLY A 262 7.373 12.303 -1.948 1.00 0.20 H new ATOM 668 N GLU A 263 6.360 9.447 -2.701 1.00 0.16 N ATOM 669 CA GLU A 263 6.041 8.600 -3.820 1.00 0.18 C ATOM 670 C GLU A 263 4.712 7.903 -3.592 1.00 0.15 C ATOM 671 O GLU A 263 4.070 8.115 -2.573 1.00 0.19 O ATOM 672 CB GLU A 263 7.164 7.596 -4.043 1.00 0.23 C ATOM 673 CG GLU A 263 8.536 8.253 -4.105 1.00 0.26 C ATOM 674 CD GLU A 263 9.525 7.441 -4.911 1.00 0.61 C ATOM 675 OE1 GLU A 263 9.812 6.292 -4.524 1.00 1.02 O ATOM 676 OE2 GLU A 263 10.034 7.951 -5.924 1.00 1.04 O ATOM 0 H GLU A 263 6.744 8.958 -1.892 1.00 0.16 H new ATOM 0 HA GLU A 263 5.945 9.210 -4.719 1.00 0.18 H new ATOM 0 HB2 GLU A 263 7.154 6.861 -3.238 1.00 0.23 H new ATOM 0 HB3 GLU A 263 6.983 7.055 -4.971 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.441 9.246 -4.544 1.00 0.26 H new ATOM 0 HG3 GLU A 263 8.918 8.387 -3.093 1.00 0.26 H new ATOM 683 N LEU A 264 4.296 7.082 -4.533 1.00 0.14 N ATOM 684 CA LEU A 264 3.003 6.426 -4.447 1.00 0.13 C ATOM 685 C LEU A 264 3.158 4.945 -4.744 1.00 0.15 C ATOM 686 O LEU A 264 4.130 4.532 -5.372 1.00 0.24 O ATOM 687 CB LEU A 264 2.030 7.064 -5.449 1.00 0.15 C ATOM 688 CG LEU A 264 0.582 6.567 -5.391 1.00 0.14 C ATOM 689 CD1 LEU A 264 -0.165 7.219 -4.240 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.127 6.832 -6.711 1.00 0.18 C ATOM 0 H LEU A 264 4.833 6.851 -5.369 1.00 0.14 H new ATOM 0 HA LEU A 264 2.605 6.546 -3.439 1.00 0.13 H new ATOM 0 HB2 LEU A 264 2.030 8.142 -5.288 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.412 6.892 -6.455 1.00 0.15 H new ATOM 0 HG LEU A 264 0.597 5.491 -5.220 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.191 6.852 -4.218 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.329 6.973 -3.300 1.00 0.14 H new ATOM 0 HD13 LEU A 264 -0.170 8.301 -4.375 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.154 6.472 -6.651 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.129 7.903 -6.914 1.00 0.18 H new ATOM 0 HD23 LEU A 264 0.393 6.311 -7.515 1.00 0.18 H new ATOM 702 N VAL A 265 2.208 4.151 -4.287 1.00 0.14 N ATOM 703 CA VAL A 265 2.244 2.724 -4.502 1.00 0.15 C ATOM 704 C VAL A 265 0.827 2.253 -4.774 1.00 0.15 C ATOM 705 O VAL A 265 -0.117 3.002 -4.548 1.00 0.27 O ATOM 706 CB VAL A 265 2.812 1.992 -3.259 1.00 0.20 C ATOM 707 CG1 VAL A 265 1.762 1.880 -2.172 1.00 0.40 C ATOM 708 CG2 VAL A 265 3.339 0.621 -3.617 1.00 0.41 C ATOM 0 H VAL A 265 1.397 4.477 -3.761 1.00 0.14 H new ATOM 0 HA VAL A 265 2.893 2.498 -5.348 1.00 0.15 H new ATOM 0 HB VAL A 265 3.644 2.587 -2.883 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.184 1.363 -1.310 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.439 2.877 -1.874 1.00 0.40 H new ATOM 0 HG13 VAL A 265 0.907 1.319 -2.549 1.00 0.40 H new ATOM 0 HG21 VAL A 265 3.729 0.136 -2.722 1.00 0.41 H new ATOM 0 HG22 VAL A 265 2.532 0.018 -4.033 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.136 0.719 -4.354 1.00 0.41 H new ATOM 718 N LYS A 266 0.669 1.040 -5.254 1.00 0.13 N ATOM 719 CA LYS A 266 -0.649 0.461 -5.377 1.00 0.15 C ATOM 720 C LYS A 266 -0.670 -0.840 -4.586 1.00 0.13 C ATOM 721 O LYS A 266 -0.086 -1.847 -4.977 1.00 0.14 O ATOM 722 CB LYS A 266 -1.080 0.310 -6.865 1.00 0.24 C ATOM 723 CG LYS A 266 -0.492 -0.858 -7.650 1.00 0.85 C ATOM 724 CD LYS A 266 -1.333 -2.125 -7.537 1.00 0.49 C ATOM 725 CE LYS A 266 -0.710 -3.267 -8.324 1.00 0.82 C ATOM 726 NZ LYS A 266 -1.611 -4.446 -8.421 1.00 1.32 N ATOM 0 H LYS A 266 1.432 0.438 -5.564 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.400 1.127 -4.952 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -2.166 0.223 -6.894 1.00 0.24 H new ATOM 0 HB3 LYS A 266 -0.820 1.231 -7.386 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -0.404 -0.578 -8.700 1.00 0.85 H new ATOM 0 HG3 LYS A 266 0.516 -1.062 -7.289 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -1.428 -2.410 -6.489 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -2.340 -1.931 -7.907 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -0.461 -2.920 -9.327 1.00 0.82 H new ATOM 0 HE3 LYS A 266 0.224 -3.565 -7.848 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 -1.118 -5.290 -8.066 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 -2.465 -4.278 -7.851 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 -1.881 -4.595 -9.414 1.00 1.32 H new ATOM 740 N VAL A 267 -1.275 -0.788 -3.418 1.00 0.16 N ATOM 741 CA VAL A 267 -1.283 -1.924 -2.529 1.00 0.16 C ATOM 742 C VAL A 267 -2.286 -2.962 -3.021 1.00 0.17 C ATOM 743 O VAL A 267 -3.496 -2.774 -2.917 1.00 0.25 O ATOM 744 CB VAL A 267 -1.622 -1.514 -1.083 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.468 -2.680 -0.149 1.00 0.55 C ATOM 746 CG2 VAL A 267 -0.764 -0.349 -0.623 1.00 0.63 C ATOM 0 H VAL A 267 -1.768 0.032 -3.064 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.281 -2.353 -2.529 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.663 -1.191 -1.067 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.712 -2.368 0.866 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -2.141 -3.482 -0.454 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.439 -3.038 -0.181 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -1.028 -0.085 0.401 1.00 0.63 H new ATOM 0 HG22 VAL A 267 0.288 -0.633 -0.665 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -0.935 0.508 -1.275 1.00 0.63 H new ATOM 756 N THR A 268 -1.769 -4.038 -3.586 1.00 0.15 N ATOM 757 CA THR A 268 -2.588 -5.106 -4.109 1.00 0.19 C ATOM 758 C THR A 268 -3.006 -6.072 -2.990 1.00 0.22 C ATOM 759 O THR A 268 -3.911 -6.891 -3.160 1.00 0.34 O ATOM 760 CB THR A 268 -1.832 -5.857 -5.231 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.666 -6.863 -5.817 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.540 -6.485 -4.711 1.00 0.29 C ATOM 0 H THR A 268 -0.766 -4.192 -3.693 1.00 0.15 H new ATOM 0 HA THR A 268 -3.494 -4.673 -4.532 1.00 0.19 H new ATOM 0 HB THR A 268 -1.570 -5.125 -5.995 1.00 0.24 H new ATOM 0 HG1 THR A 268 -2.172 -7.326 -6.525 1.00 0.32 H new ATOM 0 HG21 THR A 268 -0.035 -7.004 -5.525 1.00 0.29 H new ATOM 0 HG22 THR A 268 0.112 -5.704 -4.319 1.00 0.29 H new ATOM 0 HG23 THR A 268 -0.774 -7.195 -3.918 1.00 0.29 H new ATOM 770 N LYS A 269 -2.349 -5.959 -1.839 1.00 0.18 N ATOM 771 CA LYS A 269 -2.650 -6.807 -0.694 1.00 0.20 C ATOM 772 C LYS A 269 -3.298 -5.990 0.407 1.00 0.22 C ATOM 773 O LYS A 269 -2.617 -5.302 1.130 1.00 0.35 O ATOM 774 CB LYS A 269 -1.356 -7.444 -0.177 1.00 0.23 C ATOM 775 CG LYS A 269 -1.542 -8.358 1.028 1.00 0.40 C ATOM 776 CD LYS A 269 -1.298 -9.818 0.689 1.00 1.55 C ATOM 777 CE LYS A 269 -2.227 -10.304 -0.407 1.00 2.25 C ATOM 778 NZ LYS A 269 -2.063 -11.759 -0.661 1.00 2.84 N ATOM 0 H LYS A 269 -1.601 -5.284 -1.676 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.343 -7.590 -1.002 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -0.899 -8.016 -0.985 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.656 -6.652 0.088 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -0.859 -8.053 1.821 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -2.554 -8.242 1.416 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.263 -9.950 0.373 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -1.439 -10.427 1.582 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -3.260 -10.098 -0.127 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -2.029 -9.750 -1.324 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -2.714 -12.055 -1.416 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -1.084 -11.952 -0.953 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -2.276 -12.289 0.208 1.00 2.84 H new ATOM 792 N ILE A 270 -4.610 -6.052 0.531 1.00 0.33 N ATOM 793 CA ILE A 270 -5.292 -5.265 1.553 1.00 0.39 C ATOM 794 C ILE A 270 -5.294 -6.021 2.883 1.00 0.55 C ATOM 795 O ILE A 270 -5.330 -7.252 2.894 1.00 0.73 O ATOM 796 CB ILE A 270 -6.735 -4.914 1.131 1.00 0.56 C ATOM 797 CG1 ILE A 270 -7.684 -6.099 1.323 1.00 0.93 C ATOM 798 CG2 ILE A 270 -6.736 -4.472 -0.325 1.00 1.09 C ATOM 799 CD1 ILE A 270 -9.131 -5.763 1.035 1.00 1.90 C ATOM 0 H ILE A 270 -5.220 -6.627 -0.050 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.748 -4.328 1.674 1.00 0.39 H new ATOM 0 HB ILE A 270 -7.092 -4.104 1.767 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -7.371 -6.915 0.671 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -7.600 -6.460 2.348 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -7.753 -4.223 -0.629 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -6.098 -3.596 -0.440 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.358 -5.280 -0.951 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -9.748 -6.648 1.191 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -9.460 -4.969 1.705 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -9.229 -5.430 0.002 1.00 1.90 H new ATOM 811 N ASN A 271 -5.233 -5.297 3.997 1.00 0.60 N ATOM 812 CA ASN A 271 -5.130 -5.934 5.311 1.00 0.82 C ATOM 813 C ASN A 271 -5.902 -5.169 6.372 1.00 0.70 C ATOM 814 O ASN A 271 -6.341 -4.039 6.151 1.00 0.87 O ATOM 815 CB ASN A 271 -3.668 -6.062 5.748 1.00 1.17 C ATOM 816 CG ASN A 271 -2.925 -7.143 4.996 1.00 1.58 C ATOM 817 OD1 ASN A 271 -2.874 -8.298 5.418 1.00 2.28 O ATOM 818 ND2 ASN A 271 -2.350 -6.769 3.872 1.00 1.88 N ATOM 0 H ASN A 271 -5.253 -4.277 4.019 1.00 0.60 H new ATOM 0 HA ASN A 271 -5.567 -6.928 5.211 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -3.163 -5.108 5.597 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -3.630 -6.277 6.816 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -1.836 -7.449 3.312 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -2.419 -5.800 3.562 1.00 1.88 H new ATOM 825 N MET A 272 -6.028 -5.782 7.541 1.00 0.81 N ATOM 826 CA MET A 272 -6.818 -5.221 8.625 1.00 0.97 C ATOM 827 C MET A 272 -5.997 -4.238 9.445 1.00 1.02 C ATOM 828 O MET A 272 -6.512 -3.224 9.918 1.00 1.22 O ATOM 829 CB MET A 272 -7.359 -6.343 9.525 1.00 1.24 C ATOM 830 CG MET A 272 -6.296 -7.054 10.357 1.00 1.30 C ATOM 831 SD MET A 272 -6.036 -6.293 11.976 1.00 2.03 S ATOM 832 CE MET A 272 -7.653 -6.511 12.719 1.00 2.52 C ATOM 0 H MET A 272 -5.589 -6.675 7.762 1.00 0.81 H new ATOM 0 HA MET A 272 -7.659 -4.681 8.189 1.00 0.97 H new ATOM 0 HB2 MET A 272 -8.108 -5.924 10.197 1.00 1.24 H new ATOM 0 HB3 MET A 272 -7.867 -7.079 8.901 1.00 1.24 H new ATOM 0 HG2 MET A 272 -6.587 -8.095 10.494 1.00 1.30 H new ATOM 0 HG3 MET A 272 -5.355 -7.056 9.808 1.00 1.30 H new ATOM 0 HE1 MET A 272 -7.547 -6.607 13.800 1.00 2.52 H new ATOM 0 HE2 MET A 272 -8.278 -5.647 12.491 1.00 2.52 H new ATOM 0 HE3 MET A 272 -8.119 -7.412 12.319 1.00 2.52 H new ATOM 842 N SER A 273 -4.719 -4.539 9.597 1.00 0.93 N ATOM 843 CA SER A 273 -3.840 -3.746 10.439 1.00 1.02 C ATOM 844 C SER A 273 -3.191 -2.626 9.650 1.00 0.91 C ATOM 845 O SER A 273 -2.654 -1.679 10.224 1.00 1.14 O ATOM 846 CB SER A 273 -2.763 -4.645 11.049 1.00 1.14 C ATOM 847 OG SER A 273 -2.052 -5.334 10.033 1.00 1.50 O ATOM 0 H SER A 273 -4.264 -5.332 9.145 1.00 0.93 H new ATOM 0 HA SER A 273 -4.437 -3.299 11.234 1.00 1.02 H new ATOM 0 HB2 SER A 273 -2.072 -4.044 11.640 1.00 1.14 H new ATOM 0 HB3 SER A 273 -3.223 -5.362 11.729 1.00 1.14 H new ATOM 0 HG SER A 273 -1.366 -5.903 10.442 1.00 1.50 H new ATOM 853 N GLY A 274 -3.245 -2.732 8.335 1.00 0.64 N ATOM 854 CA GLY A 274 -2.545 -1.787 7.506 1.00 0.61 C ATOM 855 C GLY A 274 -1.160 -2.290 7.187 1.00 0.49 C ATOM 856 O GLY A 274 -0.341 -1.577 6.619 1.00 0.57 O ATOM 0 H GLY A 274 -3.760 -3.454 7.830 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -3.100 -1.623 6.583 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -2.481 -0.825 8.015 1.00 0.61 H new ATOM 860 N GLN A 275 -0.899 -3.536 7.561 1.00 0.41 N ATOM 861 CA GLN A 275 0.360 -4.165 7.224 1.00 0.40 C ATOM 862 C GLN A 275 0.170 -4.895 5.911 1.00 0.32 C ATOM 863 O GLN A 275 -0.095 -6.095 5.886 1.00 0.41 O ATOM 864 CB GLN A 275 0.798 -5.147 8.317 1.00 0.56 C ATOM 865 CG GLN A 275 2.184 -5.740 8.092 1.00 0.69 C ATOM 866 CD GLN A 275 3.285 -4.963 8.791 1.00 0.76 C ATOM 867 OE1 GLN A 275 4.322 -5.523 9.148 1.00 1.36 O ATOM 868 NE2 GLN A 275 3.067 -3.677 9.010 1.00 0.81 N ATOM 0 H GLN A 275 -1.541 -4.123 8.094 1.00 0.41 H new ATOM 0 HA GLN A 275 1.140 -3.409 7.138 1.00 0.40 H new ATOM 0 HB2 GLN A 275 0.784 -4.635 9.279 1.00 0.56 H new ATOM 0 HB3 GLN A 275 0.072 -5.957 8.377 1.00 0.56 H new ATOM 0 HG2 GLN A 275 2.194 -6.771 8.447 1.00 0.69 H new ATOM 0 HG3 GLN A 275 2.391 -5.769 7.022 1.00 0.69 H new ATOM 0 HE21 GLN A 275 2.196 -3.247 8.700 1.00 0.81 H new ATOM 0 HE22 GLN A 275 3.770 -3.115 9.489 1.00 0.81 H new ATOM 877 N TRP A 276 0.259 -4.156 4.824 1.00 0.22 N ATOM 878 CA TRP A 276 -0.059 -4.700 3.529 1.00 0.17 C ATOM 879 C TRP A 276 1.160 -4.827 2.647 1.00 0.15 C ATOM 880 O TRP A 276 2.254 -4.378 2.989 1.00 0.19 O ATOM 881 CB TRP A 276 -1.112 -3.846 2.824 1.00 0.18 C ATOM 882 CG TRP A 276 -1.177 -2.414 3.252 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.158 -1.503 3.271 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.348 -1.719 3.683 1.00 0.28 C ATOM 885 NE1 TRP A 276 -0.625 -0.290 3.713 1.00 0.31 N ATOM 886 CE2 TRP A 276 -1.967 -0.397 3.968 1.00 0.31 C ATOM 887 CE3 TRP A 276 -3.680 -2.092 3.864 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -2.877 0.553 4.421 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -4.579 -1.146 4.311 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.175 0.162 4.586 1.00 0.47 C ATOM 0 H TRP A 276 0.549 -3.178 4.816 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.457 -5.700 3.701 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -0.920 -3.877 1.751 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.090 -4.300 2.987 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.862 -1.707 2.981 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.064 0.554 3.832 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.001 -3.102 3.658 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -2.567 1.565 4.635 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -5.614 -1.422 4.451 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -4.903 0.879 4.936 1.00 0.47 H new ATOM 901 N GLU A 277 0.951 -5.448 1.504 1.00 0.12 N ATOM 902 CA GLU A 277 1.974 -5.572 0.507 1.00 0.12 C ATOM 903 C GLU A 277 1.731 -4.547 -0.569 1.00 0.11 C ATOM 904 O GLU A 277 0.648 -4.495 -1.123 1.00 0.12 O ATOM 905 CB GLU A 277 1.950 -6.960 -0.123 1.00 0.14 C ATOM 906 CG GLU A 277 2.568 -8.047 0.729 1.00 0.19 C ATOM 907 CD GLU A 277 2.564 -9.378 0.007 1.00 1.21 C ATOM 908 OE1 GLU A 277 3.257 -9.504 -1.029 1.00 2.07 O ATOM 909 OE2 GLU A 277 1.856 -10.298 0.454 1.00 1.55 O ATOM 0 H GLU A 277 0.063 -5.879 1.248 1.00 0.12 H new ATOM 0 HA GLU A 277 2.944 -5.416 0.978 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.916 -7.229 -0.339 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.475 -6.921 -1.077 1.00 0.14 H new ATOM 0 HG2 GLU A 277 3.591 -7.773 0.987 1.00 0.19 H new ATOM 0 HG3 GLU A 277 2.017 -8.136 1.665 1.00 0.19 H new ATOM 916 N GLY A 278 2.725 -3.753 -0.876 1.00 0.13 N ATOM 917 CA GLY A 278 2.574 -2.784 -1.927 1.00 0.12 C ATOM 918 C GLY A 278 3.103 -3.315 -3.216 1.00 0.12 C ATOM 919 O GLY A 278 3.867 -4.279 -3.237 1.00 0.15 O ATOM 0 H GLY A 278 3.637 -3.758 -0.419 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.521 -2.524 -2.040 1.00 0.12 H new ATOM 0 HA3 GLY A 278 3.102 -1.868 -1.662 1.00 0.12 H new ATOM 923 N GLU A 279 2.690 -2.701 -4.283 1.00 0.11 N ATOM 924 CA GLU A 279 3.268 -2.964 -5.562 1.00 0.14 C ATOM 925 C GLU A 279 3.413 -1.627 -6.258 1.00 0.17 C ATOM 926 O GLU A 279 2.429 -0.936 -6.505 1.00 0.20 O ATOM 927 CB GLU A 279 2.370 -3.924 -6.340 1.00 0.20 C ATOM 928 CG GLU A 279 3.066 -4.645 -7.478 1.00 0.31 C ATOM 929 CD GLU A 279 2.339 -5.917 -7.863 1.00 1.08 C ATOM 930 OE1 GLU A 279 1.336 -5.833 -8.603 1.00 1.27 O ATOM 931 OE2 GLU A 279 2.756 -7.002 -7.404 1.00 2.07 O ATOM 0 H GLU A 279 1.944 -2.005 -4.290 1.00 0.11 H new ATOM 0 HA GLU A 279 4.245 -3.442 -5.482 1.00 0.14 H new ATOM 0 HB2 GLU A 279 1.965 -4.664 -5.650 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.524 -3.367 -6.742 1.00 0.20 H new ATOM 0 HG2 GLU A 279 3.128 -3.985 -8.343 1.00 0.31 H new ATOM 0 HG3 GLU A 279 4.089 -4.884 -7.186 1.00 0.31 H new ATOM 938 N CYS A 280 4.634 -1.249 -6.545 1.00 0.20 N ATOM 939 CA CYS A 280 4.894 0.069 -7.072 1.00 0.27 C ATOM 940 C CYS A 280 5.511 -0.029 -8.436 1.00 0.29 C ATOM 941 O CYS A 280 6.728 -0.177 -8.568 1.00 0.33 O ATOM 942 CB CYS A 280 5.813 0.850 -6.125 1.00 0.39 C ATOM 943 SG CYS A 280 6.245 2.512 -6.691 1.00 0.51 S ATOM 0 H CYS A 280 5.462 -1.833 -6.423 1.00 0.20 H new ATOM 0 HA CYS A 280 3.948 0.604 -7.156 1.00 0.27 H new ATOM 0 HB2 CYS A 280 5.328 0.927 -5.152 1.00 0.39 H new ATOM 0 HB3 CYS A 280 6.731 0.280 -5.980 1.00 0.39 H new ATOM 0 HG CYS A 280 5.683 2.739 -7.841 1.00 0.51 H new ATOM 949 N ASN A 281 4.649 0.045 -9.441 1.00 0.37 N ATOM 950 CA ASN A 281 5.061 0.060 -10.832 1.00 0.49 C ATOM 951 C ASN A 281 6.086 -1.038 -11.091 1.00 0.45 C ATOM 952 O ASN A 281 7.061 -0.854 -11.823 1.00 0.53 O ATOM 953 CB ASN A 281 5.605 1.445 -11.198 1.00 0.63 C ATOM 954 CG ASN A 281 4.814 2.565 -10.535 1.00 0.80 C ATOM 955 OD1 ASN A 281 5.246 3.133 -9.530 1.00 1.44 O ATOM 956 ND2 ASN A 281 3.631 2.855 -11.057 1.00 0.97 N ATOM 0 H ASN A 281 3.639 0.096 -9.310 1.00 0.37 H new ATOM 0 HA ASN A 281 4.200 -0.141 -11.469 1.00 0.49 H new ATOM 0 HB2 ASN A 281 6.651 1.514 -10.898 1.00 0.63 H new ATOM 0 HB3 ASN A 281 5.574 1.572 -12.280 1.00 0.63 H new ATOM 0 HD21 ASN A 281 3.045 3.570 -10.626 1.00 0.97 H new ATOM 0 HD22 ASN A 281 3.307 2.364 -11.890 1.00 0.97 H new ATOM 963 N GLY A 282 5.827 -2.198 -10.495 1.00 0.37 N ATOM 964 CA GLY A 282 6.661 -3.355 -10.697 1.00 0.39 C ATOM 965 C GLY A 282 7.549 -3.719 -9.516 1.00 0.34 C ATOM 966 O GLY A 282 8.199 -4.765 -9.542 1.00 0.46 O ATOM 0 H GLY A 282 5.039 -2.352 -9.866 1.00 0.37 H new ATOM 0 HA2 GLY A 282 6.024 -4.208 -10.930 1.00 0.39 H new ATOM 0 HA3 GLY A 282 7.293 -3.182 -11.568 1.00 0.39 H new ATOM 970 N LYS A 283 7.601 -2.888 -8.481 1.00 0.25 N ATOM 971 CA LYS A 283 8.198 -3.323 -7.229 1.00 0.23 C ATOM 972 C LYS A 283 7.108 -3.886 -6.332 1.00 0.14 C ATOM 973 O LYS A 283 5.977 -3.428 -6.371 1.00 0.17 O ATOM 974 CB LYS A 283 8.934 -2.173 -6.535 1.00 0.33 C ATOM 975 CG LYS A 283 9.918 -1.475 -7.447 1.00 0.74 C ATOM 976 CD LYS A 283 9.834 0.022 -7.260 1.00 0.61 C ATOM 977 CE LYS A 283 10.862 0.760 -8.102 1.00 1.28 C ATOM 978 NZ LYS A 283 10.416 0.940 -9.508 1.00 1.93 N ATOM 0 H LYS A 283 7.246 -1.932 -8.484 1.00 0.25 H new ATOM 0 HA LYS A 283 8.936 -4.098 -7.437 1.00 0.23 H new ATOM 0 HB2 LYS A 283 8.206 -1.448 -6.171 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.463 -2.559 -5.664 1.00 0.33 H new ATOM 0 HG2 LYS A 283 10.930 -1.819 -7.233 1.00 0.74 H new ATOM 0 HG3 LYS A 283 9.707 -1.731 -8.485 1.00 0.74 H new ATOM 0 HD2 LYS A 283 8.834 0.365 -7.526 1.00 0.61 H new ATOM 0 HD3 LYS A 283 9.985 0.265 -6.208 1.00 0.61 H new ATOM 0 HE2 LYS A 283 11.059 1.736 -7.658 1.00 1.28 H new ATOM 0 HE3 LYS A 283 11.802 0.209 -8.089 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 11.149 1.448 -10.043 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 10.253 0.009 -9.942 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 9.533 1.489 -9.524 1.00 1.93 H new ATOM 992 N ARG A 284 7.447 -4.885 -5.555 1.00 0.16 N ATOM 993 CA ARG A 284 6.510 -5.525 -4.648 1.00 0.12 C ATOM 994 C ARG A 284 7.077 -5.393 -3.240 1.00 0.13 C ATOM 995 O ARG A 284 8.127 -4.799 -3.084 1.00 0.20 O ATOM 996 CB ARG A 284 6.321 -6.995 -5.050 1.00 0.18 C ATOM 997 CG ARG A 284 5.339 -7.786 -4.194 1.00 0.21 C ATOM 998 CD ARG A 284 3.899 -7.377 -4.426 1.00 0.26 C ATOM 999 NE ARG A 284 2.988 -8.297 -3.748 1.00 0.41 N ATOM 1000 CZ ARG A 284 2.022 -8.974 -4.366 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.780 -8.774 -5.657 1.00 0.57 N ATOM 1002 NH2 ARG A 284 1.292 -9.851 -3.691 1.00 0.67 N ATOM 0 H ARG A 284 8.385 -5.284 -5.530 1.00 0.16 H new ATOM 0 HA ARG A 284 5.528 -5.053 -4.690 1.00 0.12 H new ATOM 0 HB2 ARG A 284 5.984 -7.030 -6.086 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.291 -7.492 -5.013 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.450 -8.849 -4.410 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.587 -7.647 -3.142 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.740 -6.363 -4.060 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.686 -7.367 -5.495 1.00 0.26 H new ATOM 0 HE ARG A 284 3.099 -8.428 -2.743 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.336 -8.098 -6.181 1.00 0.57 H new ATOM 0 HH12 ARG A 284 1.038 -9.296 -6.124 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.470 -10.007 -2.699 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.552 -10.370 -4.164 1.00 0.67 H new ATOM 1016 N GLY A 285 6.348 -5.825 -2.224 1.00 0.14 N ATOM 1017 CA GLY A 285 6.923 -5.940 -0.897 1.00 0.18 C ATOM 1018 C GLY A 285 5.858 -5.786 0.152 1.00 0.14 C ATOM 1019 O GLY A 285 4.689 -5.833 -0.183 1.00 0.15 O ATOM 0 H GLY A 285 5.368 -6.099 -2.292 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.412 -6.908 -0.788 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.691 -5.178 -0.759 1.00 0.18 H new ATOM 1023 N HIS A 286 6.232 -5.590 1.405 1.00 0.15 N ATOM 1024 CA HIS A 286 5.242 -5.328 2.445 1.00 0.13 C ATOM 1025 C HIS A 286 5.741 -4.273 3.427 1.00 0.15 C ATOM 1026 O HIS A 286 6.877 -4.327 3.892 1.00 0.20 O ATOM 1027 CB HIS A 286 4.816 -6.622 3.170 1.00 0.18 C ATOM 1028 CG HIS A 286 5.938 -7.484 3.681 1.00 0.26 C ATOM 1029 ND1 HIS A 286 5.768 -8.804 4.036 1.00 0.75 N ATOM 1030 CD2 HIS A 286 7.241 -7.210 3.893 1.00 0.67 C ATOM 1031 CE1 HIS A 286 6.922 -9.298 4.445 1.00 0.65 C ATOM 1032 NE2 HIS A 286 7.835 -8.350 4.372 1.00 0.52 N ATOM 0 H HIS A 286 7.199 -5.606 1.728 1.00 0.15 H new ATOM 0 HA HIS A 286 4.353 -4.930 1.956 1.00 0.13 H new ATOM 0 HB2 HIS A 286 4.178 -6.352 4.011 1.00 0.18 H new ATOM 0 HB3 HIS A 286 4.208 -7.216 2.487 1.00 0.18 H new ATOM 0 HD1 HIS A 286 4.889 -9.319 3.990 1.00 0.75 H new ATOM 0 HD2 HIS A 286 7.729 -6.263 3.717 1.00 0.67 H new ATOM 0 HE1 HIS A 286 7.090 -10.310 4.783 1.00 0.65 H new ATOM 1041 N PHE A 287 4.883 -3.304 3.718 1.00 0.14 N ATOM 1042 CA PHE A 287 5.242 -2.177 4.577 1.00 0.17 C ATOM 1043 C PHE A 287 4.029 -1.676 5.361 1.00 0.20 C ATOM 1044 O PHE A 287 2.897 -1.779 4.895 1.00 0.29 O ATOM 1045 CB PHE A 287 5.846 -1.036 3.745 1.00 0.20 C ATOM 1046 CG PHE A 287 7.293 -1.238 3.398 1.00 0.17 C ATOM 1047 CD1 PHE A 287 8.261 -1.200 4.388 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.687 -1.458 2.090 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.594 -1.378 4.081 1.00 0.32 C ATOM 1050 CE2 PHE A 287 9.019 -1.635 1.776 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.975 -1.597 2.772 1.00 0.30 C ATOM 0 H PHE A 287 3.925 -3.274 3.370 1.00 0.14 H new ATOM 0 HA PHE A 287 5.989 -2.524 5.291 1.00 0.17 H new ATOM 0 HB2 PHE A 287 5.273 -0.928 2.824 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.742 -0.102 4.297 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.968 -1.029 5.413 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.944 -1.492 1.307 1.00 0.21 H new ATOM 0 HE1 PHE A 287 10.338 -1.346 4.863 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.314 -1.803 0.751 1.00 0.25 H new ATOM 0 HZ PHE A 287 11.018 -1.738 2.528 1.00 0.30 H new ATOM 1061 N PRO A 288 4.264 -1.126 6.568 1.00 0.22 N ATOM 1062 CA PRO A 288 3.197 -0.682 7.476 1.00 0.26 C ATOM 1063 C PRO A 288 2.451 0.573 7.006 1.00 0.24 C ATOM 1064 O PRO A 288 2.972 1.386 6.229 1.00 0.28 O ATOM 1065 CB PRO A 288 3.932 -0.389 8.795 1.00 0.33 C ATOM 1066 CG PRO A 288 5.307 -0.946 8.628 1.00 0.54 C ATOM 1067 CD PRO A 288 5.590 -0.919 7.158 1.00 0.32 C ATOM 0 HA PRO A 288 2.422 -1.445 7.548 1.00 0.26 H new ATOM 0 HB2 PRO A 288 3.966 0.682 8.994 1.00 0.33 H new ATOM 0 HB3 PRO A 288 3.422 -0.854 9.638 1.00 0.33 H new ATOM 0 HG2 PRO A 288 6.038 -0.352 9.177 1.00 0.54 H new ATOM 0 HG3 PRO A 288 5.366 -1.962 9.018 1.00 0.54 H new ATOM 0 HD2 PRO A 288 6.027 0.030 6.848 1.00 0.32 H new ATOM 0 HD3 PRO A 288 6.289 -1.703 6.866 1.00 0.32 H new ATOM 1075 N PHE A 289 1.230 0.716 7.521 1.00 0.31 N ATOM 1076 CA PHE A 289 0.341 1.838 7.213 1.00 0.37 C ATOM 1077 C PHE A 289 0.789 3.107 7.948 1.00 0.33 C ATOM 1078 O PHE A 289 0.294 4.203 7.696 1.00 0.39 O ATOM 1079 CB PHE A 289 -1.087 1.452 7.625 1.00 0.60 C ATOM 1080 CG PHE A 289 -2.172 2.410 7.214 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -1.995 3.217 6.104 1.00 0.84 C ATOM 1082 CD2 PHE A 289 -3.345 2.529 7.941 1.00 1.07 C ATOM 1083 CE1 PHE A 289 -2.966 4.118 5.722 1.00 0.81 C ATOM 1084 CE2 PHE A 289 -4.322 3.431 7.566 1.00 1.12 C ATOM 1085 CZ PHE A 289 -4.216 4.134 6.457 1.00 0.50 C ATOM 0 H PHE A 289 0.824 0.046 8.174 1.00 0.31 H new ATOM 0 HA PHE A 289 0.375 2.050 6.144 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.314 0.473 7.202 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -1.115 1.345 8.709 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -1.084 3.140 5.529 1.00 0.84 H new ATOM 0 HD2 PHE A 289 -3.498 1.909 8.812 1.00 1.07 H new ATOM 0 HE1 PHE A 289 -2.800 4.794 4.897 1.00 0.81 H new ATOM 0 HE2 PHE A 289 -5.190 3.562 8.195 1.00 1.12 H new ATOM 0 HZ PHE A 289 -5.052 4.717 6.099 1.00 0.50 H new ATOM 1095 N THR A 290 1.770 2.945 8.820 1.00 0.33 N ATOM 1096 CA THR A 290 2.198 3.986 9.738 1.00 0.41 C ATOM 1097 C THR A 290 2.817 5.202 9.043 1.00 0.38 C ATOM 1098 O THR A 290 3.099 6.210 9.692 1.00 0.57 O ATOM 1099 CB THR A 290 3.227 3.398 10.707 1.00 0.51 C ATOM 1100 OG1 THR A 290 4.244 2.723 9.955 1.00 0.50 O ATOM 1101 CG2 THR A 290 2.571 2.419 11.668 1.00 0.61 C ATOM 0 H THR A 290 2.297 2.077 8.911 1.00 0.33 H new ATOM 0 HA THR A 290 1.305 4.336 10.255 1.00 0.41 H new ATOM 0 HB THR A 290 3.664 4.208 11.290 1.00 0.51 H new ATOM 0 HG1 THR A 290 4.908 2.345 10.569 1.00 0.50 H new ATOM 0 HG21 THR A 290 3.323 2.015 12.346 1.00 0.61 H new ATOM 0 HG22 THR A 290 1.802 2.934 12.244 1.00 0.61 H new ATOM 0 HG23 THR A 290 2.117 1.605 11.104 1.00 0.61 H new ATOM 1109 N HIS A 291 3.027 5.118 7.733 1.00 0.25 N ATOM 1110 CA HIS A 291 3.731 6.175 7.011 1.00 0.26 C ATOM 1111 C HIS A 291 3.340 6.183 5.542 1.00 0.23 C ATOM 1112 O HIS A 291 4.152 6.482 4.662 1.00 0.26 O ATOM 1113 CB HIS A 291 5.255 6.037 7.172 1.00 0.35 C ATOM 1114 CG HIS A 291 5.773 4.629 7.139 1.00 0.40 C ATOM 1115 ND1 HIS A 291 5.318 3.669 6.260 1.00 1.01 N ATOM 1116 CD2 HIS A 291 6.713 4.021 7.900 1.00 1.26 C ATOM 1117 CE1 HIS A 291 5.956 2.537 6.484 1.00 0.72 C ATOM 1118 NE2 HIS A 291 6.809 2.722 7.471 1.00 0.88 N ATOM 0 H HIS A 291 2.723 4.336 7.153 1.00 0.25 H new ATOM 0 HA HIS A 291 3.434 7.130 7.445 1.00 0.26 H new ATOM 0 HB2 HIS A 291 5.742 6.605 6.379 1.00 0.35 H new ATOM 0 HB3 HIS A 291 5.548 6.493 8.118 1.00 0.35 H new ATOM 0 HD2 HIS A 291 7.282 4.475 8.698 1.00 1.26 H new ATOM 0 HE1 HIS A 291 5.805 1.612 5.948 1.00 0.72 H new ATOM 0 HE2 HIS A 291 7.437 2.015 7.853 1.00 0.88 H new ATOM 1127 N VAL A 292 2.089 5.837 5.288 1.00 0.21 N ATOM 1128 CA VAL A 292 1.518 5.907 3.957 1.00 0.21 C ATOM 1129 C VAL A 292 0.133 6.543 3.998 1.00 0.24 C ATOM 1130 O VAL A 292 -0.543 6.515 5.025 1.00 0.32 O ATOM 1131 CB VAL A 292 1.417 4.514 3.324 1.00 0.23 C ATOM 1132 CG1 VAL A 292 2.800 3.969 3.046 1.00 0.49 C ATOM 1133 CG2 VAL A 292 0.662 3.569 4.230 1.00 0.51 C ATOM 0 H VAL A 292 1.442 5.500 6.001 1.00 0.21 H new ATOM 0 HA VAL A 292 2.181 6.523 3.349 1.00 0.21 H new ATOM 0 HB VAL A 292 0.872 4.602 2.384 1.00 0.23 H new ATOM 0 HG11 VAL A 292 2.718 2.979 2.597 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.323 4.636 2.361 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.358 3.898 3.980 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.602 2.586 3.762 1.00 0.51 H new ATOM 0 HG22 VAL A 292 1.183 3.485 5.184 1.00 0.51 H new ATOM 0 HG23 VAL A 292 -0.344 3.953 4.399 1.00 0.51 H new ATOM 1143 N ARG A 293 -0.270 7.137 2.888 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.574 7.774 2.786 1.00 0.24 C ATOM 1145 C ARG A 293 -2.389 7.115 1.695 1.00 0.24 C ATOM 1146 O ARG A 293 -2.063 7.218 0.524 1.00 0.40 O ATOM 1147 CB ARG A 293 -1.390 9.255 2.499 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.530 9.939 3.546 1.00 0.38 C ATOM 1149 CD ARG A 293 -1.264 10.088 4.869 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.370 10.511 5.949 1.00 0.55 N ATOM 1151 CZ ARG A 293 -0.292 9.898 7.135 1.00 0.61 C ATOM 1152 NH1 ARG A 293 -1.003 8.799 7.364 1.00 0.69 N ATOM 1153 NH2 ARG A 293 0.511 10.368 8.082 1.00 0.74 N ATOM 0 H ARG A 293 0.291 7.192 2.038 1.00 0.21 H new ATOM 0 HA ARG A 293 -2.111 7.661 3.728 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.932 9.379 1.518 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -2.366 9.740 2.459 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.383 9.363 3.699 1.00 0.38 H new ATOM 0 HG3 ARG A 293 -0.230 10.922 3.184 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -2.067 10.816 4.758 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.729 9.138 5.134 1.00 0.45 H new ATOM 0 HE ARG A 293 0.228 11.321 5.787 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -1.609 8.422 6.635 1.00 0.69 H new ATOM 0 HH12 ARG A 293 -0.943 8.332 8.269 1.00 0.69 H new ATOM 0 HH21 ARG A 293 1.073 11.201 7.907 1.00 0.74 H new ATOM 0 HH22 ARG A 293 0.566 9.896 8.985 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.448 6.444 2.077 1.00 0.23 N ATOM 1168 CA LEU A 294 -4.141 5.568 1.156 1.00 0.26 C ATOM 1169 C LEU A 294 -5.150 6.300 0.295 1.00 0.27 C ATOM 1170 O LEU A 294 -6.076 6.960 0.765 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.791 4.432 1.923 1.00 0.38 C ATOM 1172 CG LEU A 294 -5.048 3.146 1.153 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -3.729 2.520 0.780 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -5.886 2.183 1.979 1.00 1.31 C ATOM 0 H LEU A 294 -3.850 6.485 3.014 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.401 5.160 0.467 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -4.160 4.195 2.780 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.743 4.788 2.317 1.00 0.38 H new ATOM 0 HG LEU A 294 -5.606 3.376 0.245 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -3.907 1.597 0.228 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -3.161 3.212 0.158 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -3.163 2.298 1.685 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -6.058 1.270 1.409 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -5.359 1.941 2.902 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -6.843 2.647 2.219 1.00 1.31 H new ATOM 1186 N LEU A 295 -4.917 6.129 -0.978 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.696 6.672 -2.053 1.00 0.31 C ATOM 1188 C LEU A 295 -6.691 5.642 -2.555 1.00 0.36 C ATOM 1189 O LEU A 295 -6.661 5.257 -3.721 1.00 0.52 O ATOM 1190 CB LEU A 295 -4.773 7.060 -3.175 1.00 0.33 C ATOM 1191 CG LEU A 295 -4.168 8.445 -3.098 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -3.081 8.504 -2.037 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -3.638 8.800 -4.463 1.00 0.39 C ATOM 0 H LEU A 295 -4.130 5.572 -1.310 1.00 0.27 H new ATOM 0 HA LEU A 295 -6.243 7.544 -1.696 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -3.961 6.334 -3.216 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.322 6.978 -4.113 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.925 9.172 -2.804 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.662 9.510 -2.001 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.507 8.254 -1.065 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.294 7.791 -2.283 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -3.196 9.796 -4.434 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -2.880 8.075 -4.759 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -4.454 8.786 -5.185 1.00 0.39 H new ATOM 1205 N ASP A 296 -7.516 5.198 -1.634 1.00 0.55 N ATOM 1206 CA ASP A 296 -8.436 4.065 -1.802 1.00 0.66 C ATOM 1207 C ASP A 296 -9.006 3.924 -3.207 1.00 0.86 C ATOM 1208 O ASP A 296 -9.289 4.915 -3.891 1.00 1.45 O ATOM 1209 CB ASP A 296 -9.597 4.188 -0.834 1.00 1.02 C ATOM 1210 CG ASP A 296 -10.165 2.844 -0.441 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -9.666 1.817 -0.945 1.00 1.84 O ATOM 1212 OD2 ASP A 296 -11.104 2.819 0.380 1.00 1.97 O ATOM 0 H ASP A 296 -7.577 5.623 -0.709 1.00 0.55 H new ATOM 0 HA ASP A 296 -7.836 3.177 -1.603 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -9.266 4.715 0.061 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -10.382 4.793 -1.288 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.260 2.667 -3.547 1.00 0.62 N ATOM 1218 CA GLN A 297 -9.599 2.213 -4.873 1.00 0.87 C ATOM 1219 C GLN A 297 -8.955 3.066 -5.978 1.00 1.60 C ATOM 1220 O GLN A 297 -7.751 2.880 -6.236 1.00 2.38 O ATOM 1221 CB GLN A 297 -11.106 2.091 -5.032 1.00 1.01 C ATOM 1222 CG GLN A 297 -11.856 3.399 -4.879 1.00 2.20 C ATOM 1223 CD GLN A 297 -13.075 3.502 -5.773 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -13.723 2.506 -6.085 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -13.379 4.713 -6.211 1.00 3.77 N ATOM 1226 OXT GLN A 297 -9.646 3.906 -6.593 1.00 2.17 O ATOM 0 H GLN A 297 -9.232 1.907 -2.867 1.00 0.62 H new ATOM 0 HA GLN A 297 -9.173 1.217 -4.994 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -11.323 1.674 -6.015 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -11.481 1.382 -4.294 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -12.166 3.512 -3.840 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -11.180 4.225 -5.102 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -12.815 5.514 -5.928 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -14.178 4.845 -6.832 1.00 3.77 H new