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 240 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 297 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 290 THR OG1 : rot 180:sc= -0.909 USER MOD Set 2.2: A 291 HIS : no HE2:sc= -0.386 K(o=-1.3,f=-2!) USER MOD Set 3.1: A 228 ASN : amide:sc= 0.197 K(o=1.4,f=-5!) USER MOD Set 3.2: A 229 THR OG1 : rot 74:sc= 1.17 USER MOD Single : A 233 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 235 GLN : amide:sc= -1.64! C(o=-1.6!,f=-6.3!) USER MOD Single : A 236 ASN : amide:sc= -1.15 K(o=-1.2,f=-5.5!) USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 246 LYS NZ :NH3+ -108:sc= -2.47 (180deg=-7.19!) USER MOD Single : A 250 ASN : amide:sc= -2.55! C(o=-2.6!,f=-8.3!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ 175:sc= 1.05 (180deg=1) USER MOD Single : A 255 THR OG1 : rot 170:sc= -3.51! USER MOD Single : A 266 LYS NZ :NH3+ 180:sc= 0.241 (180deg=0.241) USER MOD Single : A 268 THR OG1 : rot -23:sc= 0.244! USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 271 ASN : amide:sc= -0.831 X(o=-0.83,f=-0.62!) USER MOD Single : A 272 MET CE :methyl -159:sc= -0.109 (180deg=-0.587) USER MOD Single : A 273 SER OG : rot 180:sc= 0 USER MOD Single : A 275 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.12) USER MOD Single : A 280 CYS SG : rot -150:sc= -7.26! USER MOD Single : A 281 ASN : amide:sc= -1.04 K(o=-1,f=-0.0074) USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HE2:sc= -3.4! C(o=-3.4!,f=-9!) USER MOD ----------------------------------------------------------------- ATOM 97 N ILE A 227 -11.826 0.928 1.611 1.00 1.37 N ATOM 98 CA ILE A 227 -11.083 -0.264 1.997 1.00 1.12 C ATOM 99 C ILE A 227 -11.221 -0.506 3.495 1.00 1.27 C ATOM 100 O ILE A 227 -10.510 0.066 4.326 1.00 1.47 O ATOM 101 CB ILE A 227 -9.596 -0.206 1.529 1.00 0.97 C ATOM 102 CG1 ILE A 227 -9.509 -0.501 0.022 1.00 1.20 C ATOM 103 CG2 ILE A 227 -8.727 -1.196 2.296 1.00 1.14 C ATOM 104 CD1 ILE A 227 -10.243 0.487 -0.854 1.00 1.47 C ATOM 0 HA ILE A 227 -11.517 -1.121 1.482 1.00 1.12 H new ATOM 0 HB ILE A 227 -9.223 0.798 1.731 1.00 0.97 H new ATOM 0 HG12 ILE A 227 -8.460 -0.518 -0.272 1.00 1.20 H new ATOM 0 HG13 ILE A 227 -9.908 -1.498 -0.164 1.00 1.20 H new ATOM 0 HG21 ILE A 227 -7.698 -1.127 1.943 1.00 1.14 H new ATOM 0 HG22 ILE A 227 -8.762 -0.962 3.360 1.00 1.14 H new ATOM 0 HG23 ILE A 227 -9.099 -2.208 2.134 1.00 1.14 H new ATOM 0 HD11 ILE A 227 -10.128 0.202 -1.900 1.00 1.47 H new ATOM 0 HD12 ILE A 227 -11.301 0.489 -0.593 1.00 1.47 H new ATOM 0 HD13 ILE A 227 -9.830 1.484 -0.703 1.00 1.47 H new ATOM 116 N ASN A 228 -12.201 -1.337 3.809 1.00 1.52 N ATOM 117 CA ASN A 228 -12.669 -1.543 5.165 1.00 1.82 C ATOM 118 C ASN A 228 -13.142 -2.985 5.319 1.00 1.80 C ATOM 119 O ASN A 228 -14.156 -3.370 4.727 1.00 2.07 O ATOM 120 CB ASN A 228 -13.813 -0.550 5.426 1.00 2.42 C ATOM 121 CG ASN A 228 -14.473 -0.687 6.794 1.00 3.09 C ATOM 122 OD1 ASN A 228 -14.493 -1.757 7.401 1.00 3.44 O ATOM 123 ND2 ASN A 228 -15.031 0.409 7.280 1.00 3.83 N ATOM 0 H ASN A 228 -12.700 -1.895 3.116 1.00 1.52 H new ATOM 0 HA ASN A 228 -11.873 -1.372 5.889 1.00 1.82 H new ATOM 0 HB2 ASN A 228 -13.427 0.464 5.323 1.00 2.42 H new ATOM 0 HB3 ASN A 228 -14.573 -0.681 4.656 1.00 2.42 H new ATOM 0 HD21 ASN A 228 -15.498 0.385 8.187 1.00 3.83 H new ATOM 0 HD22 ASN A 228 -14.995 1.279 6.748 1.00 3.83 H new ATOM 130 N THR A 229 -12.405 -3.775 6.097 1.00 1.66 N ATOM 131 CA THR A 229 -12.702 -5.201 6.262 1.00 1.67 C ATOM 132 C THR A 229 -12.757 -5.906 4.892 1.00 1.68 C ATOM 133 O THR A 229 -13.656 -6.703 4.627 1.00 2.22 O ATOM 134 CB THR A 229 -14.058 -5.377 6.969 1.00 1.80 C ATOM 135 OG1 THR A 229 -14.179 -4.420 8.032 1.00 1.91 O ATOM 136 CG2 THR A 229 -14.210 -6.782 7.539 1.00 1.88 C ATOM 0 H THR A 229 -11.595 -3.453 6.626 1.00 1.66 H new ATOM 0 HA THR A 229 -11.910 -5.646 6.863 1.00 1.67 H new ATOM 0 HB THR A 229 -14.844 -5.218 6.230 1.00 1.80 H new ATOM 0 HG1 THR A 229 -14.346 -3.531 7.655 1.00 1.91 H new ATOM 0 HG21 THR A 229 -15.178 -6.872 8.031 1.00 1.88 H new ATOM 0 HG22 THR A 229 -14.144 -7.511 6.732 1.00 1.88 H new ATOM 0 HG23 THR A 229 -13.416 -6.969 8.262 1.00 1.88 H new ATOM 144 N PRO A 230 -11.794 -5.626 3.999 1.00 1.34 N ATOM 145 CA PRO A 230 -11.883 -5.999 2.604 1.00 1.46 C ATOM 146 C PRO A 230 -11.004 -7.186 2.208 1.00 1.44 C ATOM 147 O PRO A 230 -10.026 -7.510 2.882 1.00 1.32 O ATOM 148 CB PRO A 230 -11.375 -4.717 1.974 1.00 1.46 C ATOM 149 CG PRO A 230 -10.261 -4.277 2.882 1.00 1.48 C ATOM 150 CD PRO A 230 -10.534 -4.902 4.235 1.00 1.35 C ATOM 0 HA PRO A 230 -12.877 -6.334 2.308 1.00 1.46 H new ATOM 0 HB2 PRO A 230 -11.018 -4.887 0.958 1.00 1.46 H new ATOM 0 HB3 PRO A 230 -12.161 -3.964 1.914 1.00 1.46 H new ATOM 0 HG2 PRO A 230 -9.295 -4.599 2.494 1.00 1.48 H new ATOM 0 HG3 PRO A 230 -10.228 -3.190 2.957 1.00 1.48 H new ATOM 0 HD2 PRO A 230 -9.731 -5.572 4.542 1.00 1.35 H new ATOM 0 HD3 PRO A 230 -10.638 -4.150 5.017 1.00 1.35 H new ATOM 158 N LEU A 231 -11.389 -7.849 1.129 1.00 1.78 N ATOM 159 CA LEU A 231 -10.562 -8.881 0.522 1.00 1.82 C ATOM 160 C LEU A 231 -9.737 -8.253 -0.599 1.00 1.52 C ATOM 161 O LEU A 231 -10.069 -7.161 -1.060 1.00 1.52 O ATOM 162 CB LEU A 231 -11.429 -10.026 -0.031 1.00 2.34 C ATOM 163 CG LEU A 231 -12.255 -9.709 -1.287 1.00 2.79 C ATOM 164 CD1 LEU A 231 -12.786 -10.993 -1.904 1.00 3.30 C ATOM 165 CD2 LEU A 231 -13.411 -8.770 -0.969 1.00 3.42 C ATOM 0 H LEU A 231 -12.276 -7.689 0.652 1.00 1.78 H new ATOM 0 HA LEU A 231 -9.900 -9.302 1.279 1.00 1.82 H new ATOM 0 HB2 LEU A 231 -10.778 -10.871 -0.254 1.00 2.34 H new ATOM 0 HB3 LEU A 231 -12.112 -10.349 0.755 1.00 2.34 H new ATOM 0 HG LEU A 231 -11.599 -9.210 -2.000 1.00 2.79 H new ATOM 0 HD11 LEU A 231 -13.370 -10.755 -2.793 1.00 3.30 H new ATOM 0 HD12 LEU A 231 -11.951 -11.637 -2.180 1.00 3.30 H new ATOM 0 HD13 LEU A 231 -13.419 -11.509 -1.182 1.00 3.30 H new ATOM 0 HD21 LEU A 231 -13.975 -8.566 -1.879 1.00 3.42 H new ATOM 0 HD22 LEU A 231 -14.066 -9.236 -0.233 1.00 3.42 H new ATOM 0 HD23 LEU A 231 -13.020 -7.835 -0.567 1.00 3.42 H new ATOM 177 N PRO A 232 -8.644 -8.905 -1.043 1.00 1.40 N ATOM 178 CA PRO A 232 -7.828 -8.396 -2.152 1.00 1.28 C ATOM 179 C PRO A 232 -8.683 -8.148 -3.393 1.00 1.55 C ATOM 180 O PRO A 232 -9.408 -9.040 -3.835 1.00 1.84 O ATOM 181 CB PRO A 232 -6.810 -9.514 -2.397 1.00 1.40 C ATOM 182 CG PRO A 232 -6.744 -10.261 -1.109 1.00 1.45 C ATOM 183 CD PRO A 232 -8.119 -10.174 -0.508 1.00 1.54 C ATOM 0 HA PRO A 232 -7.356 -7.440 -1.925 1.00 1.28 H new ATOM 0 HB2 PRO A 232 -7.125 -10.163 -3.214 1.00 1.40 H new ATOM 0 HB3 PRO A 232 -5.835 -9.108 -2.669 1.00 1.40 H new ATOM 0 HG2 PRO A 232 -6.456 -11.299 -1.274 1.00 1.45 H new ATOM 0 HG3 PRO A 232 -5.999 -9.825 -0.443 1.00 1.45 H new ATOM 0 HD2 PRO A 232 -8.740 -11.021 -0.800 1.00 1.54 H new ATOM 0 HD3 PRO A 232 -8.082 -10.166 0.581 1.00 1.54 H new ATOM 191 N ASN A 233 -8.581 -6.935 -3.950 1.00 1.58 N ATOM 192 CA ASN A 233 -9.510 -6.457 -4.981 1.00 2.01 C ATOM 193 C ASN A 233 -10.901 -6.333 -4.365 1.00 1.76 C ATOM 194 O ASN A 233 -11.674 -7.292 -4.348 1.00 2.31 O ATOM 195 CB ASN A 233 -9.542 -7.377 -6.214 1.00 2.67 C ATOM 196 CG ASN A 233 -8.180 -7.544 -6.864 1.00 3.38 C ATOM 197 OD1 ASN A 233 -7.774 -6.742 -7.702 1.00 3.96 O ATOM 198 ND2 ASN A 233 -7.470 -8.600 -6.493 1.00 3.82 N ATOM 0 H ASN A 233 -7.857 -6.261 -3.701 1.00 1.58 H new ATOM 0 HA ASN A 233 -9.165 -5.485 -5.333 1.00 2.01 H new ATOM 0 HB2 ASN A 233 -9.921 -8.356 -5.921 1.00 2.67 H new ATOM 0 HB3 ASN A 233 -10.241 -6.971 -6.946 1.00 2.67 H new ATOM 0 HD21 ASN A 233 -6.553 -8.769 -6.906 1.00 3.82 H new ATOM 0 HD22 ASN A 233 -7.841 -9.244 -5.794 1.00 3.82 H new ATOM 205 N LEU A 234 -11.219 -5.142 -3.858 1.00 1.61 N ATOM 206 CA LEU A 234 -12.311 -4.995 -2.920 1.00 1.90 C ATOM 207 C LEU A 234 -13.477 -4.210 -3.498 1.00 1.69 C ATOM 208 O LEU A 234 -14.481 -4.789 -3.909 1.00 1.91 O ATOM 209 CB LEU A 234 -11.834 -4.352 -1.596 1.00 2.77 C ATOM 210 CG LEU A 234 -10.556 -3.465 -1.599 1.00 3.77 C ATOM 211 CD1 LEU A 234 -9.301 -4.284 -1.836 1.00 4.30 C ATOM 212 CD2 LEU A 234 -10.632 -2.329 -2.609 1.00 4.49 C ATOM 0 H LEU A 234 -10.734 -4.274 -4.085 1.00 1.61 H new ATOM 0 HA LEU A 234 -12.670 -6.003 -2.710 1.00 1.90 H new ATOM 0 HB2 LEU A 234 -12.654 -3.745 -1.213 1.00 2.77 H new ATOM 0 HB3 LEU A 234 -11.672 -5.158 -0.880 1.00 2.77 H new ATOM 0 HG LEU A 234 -10.502 -3.023 -0.604 1.00 3.77 H new ATOM 0 HD11 LEU A 234 -8.431 -3.627 -1.831 1.00 4.30 H new ATOM 0 HD12 LEU A 234 -9.198 -5.029 -1.047 1.00 4.30 H new ATOM 0 HD13 LEU A 234 -9.371 -4.786 -2.801 1.00 4.30 H new ATOM 0 HD21 LEU A 234 -9.714 -1.743 -2.567 1.00 4.49 H new ATOM 0 HD22 LEU A 234 -10.755 -2.740 -3.611 1.00 4.49 H new ATOM 0 HD23 LEU A 234 -11.482 -1.689 -2.373 1.00 4.49 H new ATOM 224 N GLN A 235 -13.347 -2.901 -3.520 1.00 1.58 N ATOM 225 CA GLN A 235 -14.408 -2.037 -3.939 1.00 1.78 C ATOM 226 C GLN A 235 -14.224 -1.703 -5.405 1.00 1.59 C ATOM 227 O GLN A 235 -15.022 -2.100 -6.252 1.00 1.97 O ATOM 228 CB GLN A 235 -14.352 -0.792 -3.086 1.00 2.17 C ATOM 229 CG GLN A 235 -15.668 -0.040 -3.000 1.00 2.56 C ATOM 230 CD GLN A 235 -16.742 -0.821 -2.261 1.00 3.18 C ATOM 231 OE1 GLN A 235 -16.767 -2.051 -2.277 1.00 3.71 O ATOM 232 NE2 GLN A 235 -17.632 -0.107 -1.597 1.00 3.72 N ATOM 0 H GLN A 235 -12.495 -2.413 -3.245 1.00 1.58 H new ATOM 0 HA GLN A 235 -15.381 -2.514 -3.820 1.00 1.78 H new ATOM 0 HB2 GLN A 235 -14.037 -1.068 -2.080 1.00 2.17 H new ATOM 0 HB3 GLN A 235 -13.590 -0.124 -3.487 1.00 2.17 H new ATOM 0 HG2 GLN A 235 -15.505 0.913 -2.496 1.00 2.56 H new ATOM 0 HG3 GLN A 235 -16.018 0.188 -4.007 1.00 2.56 H new ATOM 0 HE21 GLN A 235 -17.579 0.912 -1.607 1.00 3.72 H new ATOM 0 HE22 GLN A 235 -18.373 -0.574 -1.074 1.00 3.72 H new ATOM 241 N ASN A 236 -13.146 -0.994 -5.703 1.00 1.40 N ATOM 242 CA ASN A 236 -12.724 -0.841 -7.085 1.00 1.65 C ATOM 243 C ASN A 236 -11.767 -1.977 -7.384 1.00 1.69 C ATOM 244 O ASN A 236 -11.769 -2.565 -8.466 1.00 2.36 O ATOM 245 CB ASN A 236 -12.055 0.519 -7.328 1.00 2.09 C ATOM 246 CG ASN A 236 -11.554 0.679 -8.755 1.00 2.95 C ATOM 247 OD1 ASN A 236 -10.403 0.373 -9.063 1.00 3.67 O ATOM 248 ND2 ASN A 236 -12.416 1.162 -9.637 1.00 3.34 N ATOM 0 H ASN A 236 -12.556 -0.522 -5.018 1.00 1.40 H new ATOM 0 HA ASN A 236 -13.589 -0.875 -7.748 1.00 1.65 H new ATOM 0 HB2 ASN A 236 -12.766 1.314 -7.106 1.00 2.09 H new ATOM 0 HB3 ASN A 236 -11.219 0.637 -6.638 1.00 2.09 H new ATOM 0 HD21 ASN A 236 -12.133 1.291 -10.608 1.00 3.34 H new ATOM 0 HD22 ASN A 236 -13.363 1.405 -9.345 1.00 3.34 H new ATOM 255 N GLY A 237 -10.966 -2.285 -6.378 1.00 1.32 N ATOM 256 CA GLY A 237 -10.107 -3.440 -6.420 1.00 1.67 C ATOM 257 C GLY A 237 -8.732 -3.113 -5.905 1.00 1.38 C ATOM 258 O GLY A 237 -8.324 -3.619 -4.864 1.00 1.70 O ATOM 0 H GLY A 237 -10.898 -1.741 -5.518 1.00 1.32 H new ATOM 0 HA2 GLY A 237 -10.541 -4.242 -5.822 1.00 1.67 H new ATOM 0 HA3 GLY A 237 -10.037 -3.808 -7.444 1.00 1.67 H new ATOM 262 N PRO A 238 -7.995 -2.255 -6.608 1.00 0.90 N ATOM 263 CA PRO A 238 -6.725 -1.763 -6.145 1.00 0.65 C ATOM 264 C PRO A 238 -6.877 -0.460 -5.409 1.00 0.50 C ATOM 265 O PRO A 238 -7.906 0.206 -5.489 1.00 0.76 O ATOM 266 CB PRO A 238 -5.966 -1.509 -7.428 1.00 0.65 C ATOM 267 CG PRO A 238 -7.020 -1.114 -8.410 1.00 0.96 C ATOM 268 CD PRO A 238 -8.329 -1.691 -7.923 1.00 0.88 C ATOM 0 HA PRO A 238 -6.240 -2.459 -5.460 1.00 0.65 H new ATOM 0 HB2 PRO A 238 -5.225 -0.720 -7.302 1.00 0.65 H new ATOM 0 HB3 PRO A 238 -5.431 -2.400 -7.756 1.00 0.65 H new ATOM 0 HG2 PRO A 238 -7.084 -0.029 -8.489 1.00 0.96 H new ATOM 0 HG3 PRO A 238 -6.780 -1.492 -9.404 1.00 0.96 H new ATOM 0 HD2 PRO A 238 -9.100 -0.924 -7.845 1.00 0.88 H new ATOM 0 HD3 PRO A 238 -8.707 -2.455 -8.602 1.00 0.88 H new ATOM 276 N PHE A 239 -5.853 -0.101 -4.700 1.00 0.37 N ATOM 277 CA PHE A 239 -5.774 1.218 -4.147 1.00 0.28 C ATOM 278 C PHE A 239 -4.369 1.729 -4.334 1.00 0.27 C ATOM 279 O PHE A 239 -3.537 1.066 -4.944 1.00 0.51 O ATOM 280 CB PHE A 239 -6.205 1.239 -2.666 1.00 0.34 C ATOM 281 CG PHE A 239 -5.787 0.028 -1.918 1.00 0.41 C ATOM 282 CD1 PHE A 239 -6.499 -1.133 -2.064 1.00 0.90 C ATOM 283 CD2 PHE A 239 -4.706 0.051 -1.076 1.00 0.35 C ATOM 284 CE1 PHE A 239 -6.141 -2.269 -1.384 1.00 1.09 C ATOM 285 CE2 PHE A 239 -4.339 -1.078 -0.382 1.00 0.35 C ATOM 286 CZ PHE A 239 -5.056 -2.241 -0.539 1.00 0.73 C ATOM 0 H PHE A 239 -5.057 -0.703 -4.489 1.00 0.37 H new ATOM 0 HA PHE A 239 -6.468 1.877 -4.669 1.00 0.28 H new ATOM 0 HB2 PHE A 239 -5.782 2.120 -2.184 1.00 0.34 H new ATOM 0 HB3 PHE A 239 -7.289 1.336 -2.611 1.00 0.34 H new ATOM 0 HD1 PHE A 239 -7.354 -1.154 -2.724 1.00 0.90 H new ATOM 0 HD2 PHE A 239 -4.138 0.962 -0.957 1.00 0.35 H new ATOM 0 HE1 PHE A 239 -6.707 -3.180 -1.511 1.00 1.09 H new ATOM 0 HE2 PHE A 239 -3.490 -1.051 0.285 1.00 0.35 H new ATOM 0 HZ PHE A 239 -4.768 -3.131 0.000 1.00 0.73 H new ATOM 296 N TYR A 240 -4.119 2.903 -3.836 1.00 0.16 N ATOM 297 CA TYR A 240 -2.818 3.510 -3.923 1.00 0.21 C ATOM 298 C TYR A 240 -2.441 3.928 -2.531 1.00 0.21 C ATOM 299 O TYR A 240 -3.307 4.031 -1.681 1.00 0.36 O ATOM 300 CB TYR A 240 -2.834 4.736 -4.842 1.00 0.25 C ATOM 301 CG TYR A 240 -3.495 4.509 -6.181 1.00 0.25 C ATOM 302 CD1 TYR A 240 -3.048 3.514 -7.038 1.00 0.29 C ATOM 303 CD2 TYR A 240 -4.559 5.299 -6.592 1.00 0.37 C ATOM 304 CE1 TYR A 240 -3.644 3.312 -8.267 1.00 0.38 C ATOM 305 CE2 TYR A 240 -5.161 5.104 -7.819 1.00 0.46 C ATOM 306 CZ TYR A 240 -4.700 4.108 -8.653 1.00 0.45 C ATOM 307 OH TYR A 240 -5.297 3.909 -9.876 1.00 0.59 O ATOM 0 H TYR A 240 -4.814 3.473 -3.354 1.00 0.16 H new ATOM 0 HA TYR A 240 -2.102 2.802 -4.341 1.00 0.21 H new ATOM 0 HB2 TYR A 240 -3.348 5.550 -4.331 1.00 0.25 H new ATOM 0 HB3 TYR A 240 -1.807 5.062 -5.009 1.00 0.25 H new ATOM 0 HD1 TYR A 240 -2.221 2.887 -6.739 1.00 0.29 H new ATOM 0 HD2 TYR A 240 -4.923 6.080 -5.941 1.00 0.37 H new ATOM 0 HE1 TYR A 240 -3.284 2.533 -8.923 1.00 0.38 H new ATOM 0 HE2 TYR A 240 -5.988 5.728 -8.124 1.00 0.46 H new ATOM 0 HH TYR A 240 -6.026 4.553 -9.993 1.00 0.59 H new ATOM 317 N ALA A 241 -1.179 4.117 -2.267 1.00 0.17 N ATOM 318 CA ALA A 241 -0.779 4.696 -1.010 1.00 0.19 C ATOM 319 C ALA A 241 0.408 5.602 -1.212 1.00 0.15 C ATOM 320 O ALA A 241 1.418 5.208 -1.798 1.00 0.19 O ATOM 321 CB ALA A 241 -0.482 3.635 0.038 1.00 0.35 C ATOM 0 H ALA A 241 -0.413 3.882 -2.898 1.00 0.17 H new ATOM 0 HA ALA A 241 -1.615 5.286 -0.634 1.00 0.19 H new ATOM 0 HB1 ALA A 241 -0.184 4.117 0.969 1.00 0.35 H new ATOM 0 HB2 ALA A 241 -1.375 3.033 0.210 1.00 0.35 H new ATOM 0 HB3 ALA A 241 0.326 2.993 -0.313 1.00 0.35 H new ATOM 327 N ARG A 242 0.266 6.820 -0.739 1.00 0.16 N ATOM 328 CA ARG A 242 1.324 7.786 -0.794 1.00 0.16 C ATOM 329 C ARG A 242 2.321 7.452 0.281 1.00 0.14 C ATOM 330 O ARG A 242 2.027 7.543 1.474 1.00 0.23 O ATOM 331 CB ARG A 242 0.788 9.201 -0.563 1.00 0.29 C ATOM 332 CG ARG A 242 1.881 10.257 -0.466 1.00 0.33 C ATOM 333 CD ARG A 242 2.301 10.761 -1.838 1.00 0.79 C ATOM 334 NE ARG A 242 1.200 11.420 -2.545 1.00 1.19 N ATOM 335 CZ ARG A 242 1.089 11.468 -3.873 1.00 1.66 C ATOM 336 NH1 ARG A 242 2.016 10.910 -4.640 1.00 1.90 N ATOM 337 NH2 ARG A 242 0.059 12.085 -4.437 1.00 2.05 N ATOM 0 H ARG A 242 -0.591 7.163 -0.306 1.00 0.16 H new ATOM 0 HA ARG A 242 1.788 7.755 -1.780 1.00 0.16 H new ATOM 0 HB2 ARG A 242 0.113 9.462 -1.378 1.00 0.29 H new ATOM 0 HB3 ARG A 242 0.200 9.213 0.355 1.00 0.29 H new ATOM 0 HG2 ARG A 242 1.526 11.094 0.136 1.00 0.33 H new ATOM 0 HG3 ARG A 242 2.746 9.839 0.048 1.00 0.33 H new ATOM 0 HD2 ARG A 242 3.130 11.460 -1.729 1.00 0.79 H new ATOM 0 HD3 ARG A 242 2.665 9.925 -2.435 1.00 0.79 H new ATOM 0 HE ARG A 242 0.474 11.870 -1.987 1.00 1.19 H new ATOM 0 HH11 ARG A 242 2.816 10.443 -4.214 1.00 1.90 H new ATOM 0 HH12 ARG A 242 1.928 10.948 -5.656 1.00 1.90 H new ATOM 0 HH21 ARG A 242 -0.653 12.526 -3.854 1.00 2.05 H new ATOM 0 HH22 ARG A 242 -0.021 12.119 -5.453 1.00 2.05 H new ATOM 351 N VAL A 243 3.474 7.009 -0.143 1.00 0.10 N ATOM 352 CA VAL A 243 4.546 6.774 0.772 1.00 0.14 C ATOM 353 C VAL A 243 5.117 8.106 1.203 1.00 0.11 C ATOM 354 O VAL A 243 5.768 8.803 0.421 1.00 0.15 O ATOM 355 CB VAL A 243 5.640 5.885 0.149 1.00 0.20 C ATOM 356 CG1 VAL A 243 5.892 6.242 -1.303 1.00 0.23 C ATOM 357 CG2 VAL A 243 6.920 5.989 0.946 1.00 0.32 C ATOM 0 H VAL A 243 3.690 6.805 -1.119 1.00 0.10 H new ATOM 0 HA VAL A 243 4.161 6.239 1.640 1.00 0.14 H new ATOM 0 HB VAL A 243 5.285 4.855 0.179 1.00 0.20 H new ATOM 0 HG11 VAL A 243 6.669 5.594 -1.707 1.00 0.23 H new ATOM 0 HG12 VAL A 243 4.974 6.108 -1.875 1.00 0.23 H new ATOM 0 HG13 VAL A 243 6.214 7.281 -1.372 1.00 0.23 H new ATOM 0 HG21 VAL A 243 7.683 5.355 0.493 1.00 0.32 H new ATOM 0 HG22 VAL A 243 7.263 7.024 0.950 1.00 0.32 H new ATOM 0 HG23 VAL A 243 6.738 5.663 1.970 1.00 0.32 H new ATOM 367 N ILE A 244 4.845 8.482 2.434 1.00 0.13 N ATOM 368 CA ILE A 244 5.358 9.736 2.928 1.00 0.15 C ATOM 369 C ILE A 244 6.718 9.545 3.566 1.00 0.14 C ATOM 370 O ILE A 244 7.459 10.502 3.731 1.00 0.20 O ATOM 371 CB ILE A 244 4.396 10.410 3.917 1.00 0.25 C ATOM 372 CG1 ILE A 244 4.017 9.449 5.045 1.00 0.37 C ATOM 373 CG2 ILE A 244 3.156 10.902 3.184 1.00 0.32 C ATOM 374 CD1 ILE A 244 3.020 10.037 6.013 1.00 0.76 C ATOM 0 H ILE A 244 4.283 7.948 3.097 1.00 0.13 H new ATOM 0 HA ILE A 244 5.458 10.398 2.068 1.00 0.15 H new ATOM 0 HB ILE A 244 4.898 11.268 4.364 1.00 0.25 H new ATOM 0 HG12 ILE A 244 3.602 8.538 4.614 1.00 0.37 H new ATOM 0 HG13 ILE A 244 4.917 9.163 5.589 1.00 0.37 H new ATOM 0 HG21 ILE A 244 2.479 11.379 3.893 1.00 0.32 H new ATOM 0 HG22 ILE A 244 3.447 11.623 2.420 1.00 0.32 H new ATOM 0 HG23 ILE A 244 2.652 10.058 2.713 1.00 0.32 H new ATOM 0 HD11 ILE A 244 2.792 9.306 6.789 1.00 0.76 H new ATOM 0 HD12 ILE A 244 3.441 10.933 6.470 1.00 0.76 H new ATOM 0 HD13 ILE A 244 2.105 10.297 5.480 1.00 0.76 H new ATOM 386 N GLN A 245 7.028 8.299 3.931 1.00 0.12 N ATOM 387 CA GLN A 245 8.352 7.929 4.439 1.00 0.14 C ATOM 388 C GLN A 245 8.610 6.446 4.238 1.00 0.14 C ATOM 389 O GLN A 245 7.984 5.610 4.880 1.00 0.17 O ATOM 390 CB GLN A 245 8.491 8.280 5.921 1.00 0.21 C ATOM 391 CG GLN A 245 8.555 9.770 6.169 1.00 0.33 C ATOM 392 CD GLN A 245 8.536 10.127 7.641 1.00 0.54 C ATOM 393 OE1 GLN A 245 9.577 10.203 8.292 1.00 1.19 O ATOM 394 NE2 GLN A 245 7.345 10.357 8.172 1.00 1.06 N ATOM 0 H GLN A 245 6.371 7.520 3.883 1.00 0.12 H new ATOM 0 HA GLN A 245 9.091 8.498 3.875 1.00 0.14 H new ATOM 0 HB2 GLN A 245 7.647 7.861 6.469 1.00 0.21 H new ATOM 0 HB3 GLN A 245 9.392 7.812 6.317 1.00 0.21 H new ATOM 0 HG2 GLN A 245 9.462 10.169 5.716 1.00 0.33 H new ATOM 0 HG3 GLN A 245 7.712 10.252 5.673 1.00 0.33 H new ATOM 0 HE21 GLN A 245 6.507 10.283 7.596 1.00 1.06 H new ATOM 0 HE22 GLN A 245 7.266 10.608 9.157 1.00 1.06 H new ATOM 403 N LYS A 246 9.476 6.114 3.296 1.00 0.15 N ATOM 404 CA LYS A 246 9.912 4.737 3.121 1.00 0.16 C ATOM 405 C LYS A 246 11.413 4.670 2.921 1.00 0.22 C ATOM 406 O LYS A 246 12.069 5.681 2.668 1.00 0.29 O ATOM 407 CB LYS A 246 9.223 4.063 1.936 1.00 0.18 C ATOM 408 CG LYS A 246 8.742 2.653 2.241 1.00 0.20 C ATOM 409 CD LYS A 246 7.371 2.668 2.909 1.00 0.29 C ATOM 410 CE LYS A 246 6.320 1.962 2.062 1.00 0.28 C ATOM 411 NZ LYS A 246 6.008 2.707 0.812 1.00 0.36 N ATOM 0 H LYS A 246 9.891 6.777 2.641 1.00 0.15 H new ATOM 0 HA LYS A 246 9.635 4.204 4.031 1.00 0.16 H new ATOM 0 HB2 LYS A 246 8.373 4.670 1.626 1.00 0.18 H new ATOM 0 HB3 LYS A 246 9.914 4.029 1.094 1.00 0.18 H new ATOM 0 HG2 LYS A 246 8.693 2.075 1.318 1.00 0.20 H new ATOM 0 HG3 LYS A 246 9.460 2.154 2.891 1.00 0.20 H new ATOM 0 HD2 LYS A 246 7.437 2.185 3.884 1.00 0.29 H new ATOM 0 HD3 LYS A 246 7.064 3.699 3.084 1.00 0.29 H new ATOM 0 HE2 LYS A 246 6.673 0.962 1.808 1.00 0.28 H new ATOM 0 HE3 LYS A 246 5.408 1.839 2.646 1.00 0.28 H new ATOM 0 HZ1 LYS A 246 5.063 3.133 0.889 1.00 0.36 H new ATOM 0 HZ2 LYS A 246 6.715 3.456 0.669 1.00 0.36 H new ATOM 0 HZ3 LYS A 246 6.028 2.053 0.004 1.00 0.36 H new ATOM 425 N ARG A 247 11.937 3.471 3.040 1.00 0.27 N ATOM 426 CA ARG A 247 13.312 3.183 2.691 1.00 0.37 C ATOM 427 C ARG A 247 13.344 2.779 1.223 1.00 0.27 C ATOM 428 O ARG A 247 12.295 2.466 0.658 1.00 0.21 O ATOM 429 CB ARG A 247 13.830 2.030 3.562 1.00 0.55 C ATOM 430 CG ARG A 247 15.218 1.531 3.190 1.00 0.69 C ATOM 431 CD ARG A 247 15.431 0.100 3.647 1.00 0.72 C ATOM 432 NE ARG A 247 16.758 -0.400 3.294 1.00 1.24 N ATOM 433 CZ ARG A 247 17.121 -1.675 3.407 1.00 1.29 C ATOM 434 NH1 ARG A 247 16.268 -2.566 3.893 1.00 1.33 N ATOM 435 NH2 ARG A 247 18.335 -2.057 3.042 1.00 2.10 N ATOM 0 H ARG A 247 11.419 2.662 3.384 1.00 0.27 H new ATOM 0 HA ARG A 247 13.943 4.056 2.857 1.00 0.37 H new ATOM 0 HB2 ARG A 247 13.841 2.355 4.602 1.00 0.55 H new ATOM 0 HB3 ARG A 247 13.129 1.198 3.495 1.00 0.55 H new ATOM 0 HG2 ARG A 247 15.352 1.594 2.110 1.00 0.69 H new ATOM 0 HG3 ARG A 247 15.972 2.175 3.643 1.00 0.69 H new ATOM 0 HD2 ARG A 247 15.298 0.042 4.727 1.00 0.72 H new ATOM 0 HD3 ARG A 247 14.672 -0.540 3.197 1.00 0.72 H new ATOM 0 HE ARG A 247 17.445 0.266 2.941 1.00 1.24 H new ATOM 0 HH11 ARG A 247 15.334 -2.274 4.180 1.00 1.33 H new ATOM 0 HH12 ARG A 247 16.546 -3.544 3.980 1.00 1.33 H new ATOM 0 HH21 ARG A 247 18.995 -1.373 2.673 1.00 2.10 H new ATOM 0 HH22 ARG A 247 18.610 -3.035 3.130 1.00 2.10 H new ATOM 449 N VAL A 248 14.510 2.811 0.592 1.00 0.32 N ATOM 450 CA VAL A 248 14.669 2.169 -0.686 1.00 0.31 C ATOM 451 C VAL A 248 15.378 0.829 -0.479 1.00 0.26 C ATOM 452 O VAL A 248 16.609 0.746 -0.472 1.00 0.30 O ATOM 453 CB VAL A 248 15.472 3.060 -1.649 1.00 0.45 C ATOM 454 CG1 VAL A 248 15.697 2.350 -2.962 1.00 1.12 C ATOM 455 CG2 VAL A 248 14.761 4.385 -1.871 1.00 1.18 C ATOM 0 H VAL A 248 15.347 3.273 0.948 1.00 0.32 H new ATOM 0 HA VAL A 248 13.688 2.001 -1.131 1.00 0.31 H new ATOM 0 HB VAL A 248 16.443 3.265 -1.199 1.00 0.45 H new ATOM 0 HG11 VAL A 248 16.267 2.995 -3.631 1.00 1.12 H new ATOM 0 HG12 VAL A 248 16.252 1.428 -2.787 1.00 1.12 H new ATOM 0 HG13 VAL A 248 14.735 2.114 -3.417 1.00 1.12 H new ATOM 0 HG21 VAL A 248 15.345 5.001 -2.555 1.00 1.18 H new ATOM 0 HG22 VAL A 248 13.775 4.202 -2.299 1.00 1.18 H new ATOM 0 HG23 VAL A 248 14.652 4.904 -0.918 1.00 1.18 H new ATOM 465 N PRO A 249 14.588 -0.227 -0.231 1.00 0.20 N ATOM 466 CA PRO A 249 15.059 -1.576 -0.020 1.00 0.20 C ATOM 467 C PRO A 249 14.885 -2.468 -1.234 1.00 0.27 C ATOM 468 O PRO A 249 14.268 -2.089 -2.226 1.00 0.34 O ATOM 469 CB PRO A 249 14.150 -2.064 1.119 1.00 0.21 C ATOM 470 CG PRO A 249 12.993 -1.093 1.160 1.00 0.23 C ATOM 471 CD PRO A 249 13.154 -0.194 -0.036 1.00 0.22 C ATOM 0 HA PRO A 249 16.128 -1.605 0.193 1.00 0.20 H new ATOM 0 HB2 PRO A 249 13.802 -3.080 0.935 1.00 0.21 H new ATOM 0 HB3 PRO A 249 14.685 -2.077 2.069 1.00 0.21 H new ATOM 0 HG2 PRO A 249 12.040 -1.621 1.124 1.00 0.23 H new ATOM 0 HG3 PRO A 249 13.002 -0.516 2.085 1.00 0.23 H new ATOM 0 HD2 PRO A 249 12.613 -0.567 -0.906 1.00 0.22 H new ATOM 0 HD3 PRO A 249 12.789 0.815 0.157 1.00 0.22 H new ATOM 479 N ASN A 250 15.462 -3.643 -1.160 1.00 0.31 N ATOM 480 CA ASN A 250 15.255 -4.650 -2.164 1.00 0.39 C ATOM 481 C ASN A 250 14.224 -5.664 -1.727 1.00 0.36 C ATOM 482 O ASN A 250 13.868 -5.755 -0.553 1.00 0.35 O ATOM 483 CB ASN A 250 16.566 -5.355 -2.508 1.00 0.51 C ATOM 484 CG ASN A 250 17.328 -5.866 -1.290 1.00 1.13 C ATOM 485 OD1 ASN A 250 17.125 -5.404 -0.167 1.00 1.97 O ATOM 486 ND2 ASN A 250 18.243 -6.796 -1.506 1.00 1.56 N ATOM 0 H ASN A 250 16.086 -3.924 -0.404 1.00 0.31 H new ATOM 0 HA ASN A 250 14.882 -4.145 -3.055 1.00 0.39 H new ATOM 0 HB2 ASN A 250 16.353 -6.194 -3.170 1.00 0.51 H new ATOM 0 HB3 ASN A 250 17.204 -4.666 -3.061 1.00 0.51 H new ATOM 0 HD21 ASN A 250 18.803 -7.150 -0.731 1.00 1.56 H new ATOM 0 HD22 ASN A 250 18.388 -7.160 -2.448 1.00 1.56 H new ATOM 493 N ALA A 251 13.769 -6.423 -2.700 1.00 0.43 N ATOM 494 CA ALA A 251 12.845 -7.527 -2.496 1.00 0.48 C ATOM 495 C ALA A 251 13.442 -8.592 -1.580 1.00 0.53 C ATOM 496 O ALA A 251 12.759 -9.527 -1.176 1.00 0.60 O ATOM 497 CB ALA A 251 12.488 -8.141 -3.837 1.00 0.59 C ATOM 0 H ALA A 251 14.034 -6.291 -3.676 1.00 0.43 H new ATOM 0 HA ALA A 251 11.947 -7.138 -2.015 1.00 0.48 H new ATOM 0 HB1 ALA A 251 11.795 -8.969 -3.685 1.00 0.59 H new ATOM 0 HB2 ALA A 251 12.019 -7.387 -4.469 1.00 0.59 H new ATOM 0 HB3 ALA A 251 13.393 -8.509 -4.321 1.00 0.59 H new ATOM 503 N TYR A 252 14.729 -8.472 -1.288 1.00 0.54 N ATOM 504 CA TYR A 252 15.392 -9.395 -0.387 1.00 0.65 C ATOM 505 C TYR A 252 15.046 -9.044 1.054 1.00 0.60 C ATOM 506 O TYR A 252 15.059 -9.903 1.939 1.00 0.69 O ATOM 507 CB TYR A 252 16.905 -9.370 -0.604 1.00 0.77 C ATOM 508 CG TYR A 252 17.680 -10.253 0.347 1.00 1.63 C ATOM 509 CD1 TYR A 252 17.297 -11.569 0.573 1.00 1.89 C ATOM 510 CD2 TYR A 252 18.790 -9.770 1.019 1.00 2.46 C ATOM 511 CE1 TYR A 252 18.002 -12.376 1.442 1.00 2.83 C ATOM 512 CE2 TYR A 252 19.503 -10.570 1.890 1.00 3.46 C ATOM 513 CZ TYR A 252 19.104 -11.879 2.091 1.00 3.61 C ATOM 514 OH TYR A 252 19.813 -12.679 2.960 1.00 4.61 O ATOM 0 H TYR A 252 15.334 -7.742 -1.664 1.00 0.54 H new ATOM 0 HA TYR A 252 15.042 -10.406 -0.596 1.00 0.65 H new ATOM 0 HB2 TYR A 252 17.120 -9.680 -1.627 1.00 0.77 H new ATOM 0 HB3 TYR A 252 17.259 -8.344 -0.501 1.00 0.77 H new ATOM 0 HD1 TYR A 252 16.434 -11.967 0.060 1.00 1.89 H new ATOM 0 HD2 TYR A 252 19.104 -8.749 0.859 1.00 2.46 H new ATOM 0 HE1 TYR A 252 17.688 -13.395 1.611 1.00 2.83 H new ATOM 0 HE2 TYR A 252 20.364 -10.177 2.410 1.00 3.46 H new ATOM 0 HH TYR A 252 20.564 -12.172 3.333 1.00 4.61 H new ATOM 524 N ASP A 253 14.731 -7.776 1.288 1.00 0.50 N ATOM 525 CA ASP A 253 14.250 -7.347 2.578 1.00 0.51 C ATOM 526 C ASP A 253 12.823 -7.790 2.735 1.00 0.48 C ATOM 527 O ASP A 253 11.907 -6.996 2.514 1.00 0.43 O ATOM 528 CB ASP A 253 14.268 -5.840 2.641 1.00 0.49 C ATOM 529 CG ASP A 253 14.661 -5.319 4.005 1.00 0.79 C ATOM 530 OD1 ASP A 253 15.876 -5.137 4.250 1.00 0.85 O ATOM 531 OD2 ASP A 253 13.767 -5.085 4.841 1.00 1.32 O ATOM 0 H ASP A 253 14.803 -7.032 0.594 1.00 0.50 H new ATOM 0 HA ASP A 253 14.881 -7.772 3.359 1.00 0.51 H new ATOM 0 HB2 ASP A 253 14.965 -5.457 1.895 1.00 0.49 H new ATOM 0 HB3 ASP A 253 13.281 -5.457 2.381 1.00 0.49 H new ATOM 536 N LYS A 254 12.625 -9.035 3.134 1.00 0.55 N ATOM 537 CA LYS A 254 11.328 -9.650 3.008 1.00 0.55 C ATOM 538 C LYS A 254 10.961 -9.638 1.531 1.00 0.49 C ATOM 539 O LYS A 254 11.257 -10.588 0.810 1.00 0.54 O ATOM 540 CB LYS A 254 10.278 -8.915 3.855 1.00 0.57 C ATOM 541 CG LYS A 254 10.460 -9.092 5.355 1.00 0.73 C ATOM 542 CD LYS A 254 10.015 -7.860 6.130 1.00 1.32 C ATOM 543 CE LYS A 254 10.892 -6.654 5.823 1.00 1.62 C ATOM 544 NZ LYS A 254 12.288 -6.841 6.300 1.00 2.40 N ATOM 0 H LYS A 254 13.344 -9.631 3.544 1.00 0.55 H new ATOM 0 HA LYS A 254 11.355 -10.674 3.380 1.00 0.55 H new ATOM 0 HB2 LYS A 254 10.314 -7.852 3.618 1.00 0.57 H new ATOM 0 HB3 LYS A 254 9.286 -9.271 3.575 1.00 0.57 H new ATOM 0 HG2 LYS A 254 9.889 -9.958 5.690 1.00 0.73 H new ATOM 0 HG3 LYS A 254 11.508 -9.298 5.572 1.00 0.73 H new ATOM 0 HD2 LYS A 254 8.979 -7.629 5.882 1.00 1.32 H new ATOM 0 HD3 LYS A 254 10.048 -8.071 7.199 1.00 1.32 H new ATOM 0 HE2 LYS A 254 10.898 -6.475 4.748 1.00 1.62 H new ATOM 0 HE3 LYS A 254 10.465 -5.767 6.292 1.00 1.62 H new ATOM 0 HZ1 LYS A 254 12.870 -6.034 5.996 1.00 2.40 H new ATOM 0 HZ2 LYS A 254 12.295 -6.901 7.338 1.00 2.40 H new ATOM 0 HZ3 LYS A 254 12.677 -7.718 5.900 1.00 2.40 H new ATOM 558 N THR A 255 10.323 -8.558 1.099 1.00 0.42 N ATOM 559 CA THR A 255 10.018 -8.337 -0.312 1.00 0.39 C ATOM 560 C THR A 255 10.123 -6.851 -0.675 1.00 0.31 C ATOM 561 O THR A 255 9.873 -6.467 -1.805 1.00 0.32 O ATOM 562 CB THR A 255 8.627 -8.891 -0.673 1.00 0.47 C ATOM 563 OG1 THR A 255 7.679 -8.530 0.343 1.00 0.49 O ATOM 564 CG2 THR A 255 8.674 -10.403 -0.820 1.00 0.60 C ATOM 0 H THR A 255 10.002 -7.810 1.714 1.00 0.42 H new ATOM 0 HA THR A 255 10.759 -8.880 -0.898 1.00 0.39 H new ATOM 0 HB THR A 255 8.319 -8.459 -1.625 1.00 0.47 H new ATOM 0 HG1 THR A 255 6.773 -8.742 0.035 1.00 0.49 H new ATOM 0 HG21 THR A 255 7.682 -10.775 -1.075 1.00 0.60 H new ATOM 0 HG22 THR A 255 9.376 -10.670 -1.610 1.00 0.60 H new ATOM 0 HG23 THR A 255 8.998 -10.850 0.120 1.00 0.60 H new ATOM 572 N ALA A 256 10.586 -6.070 0.294 1.00 0.26 N ATOM 573 CA ALA A 256 10.333 -4.622 0.421 1.00 0.21 C ATOM 574 C ALA A 256 10.181 -3.780 -0.864 1.00 0.17 C ATOM 575 O ALA A 256 10.984 -3.848 -1.797 1.00 0.21 O ATOM 576 CB ALA A 256 11.406 -4.019 1.300 1.00 0.23 C ATOM 0 H ALA A 256 11.171 -6.433 1.046 1.00 0.26 H new ATOM 0 HA ALA A 256 9.333 -4.574 0.852 1.00 0.21 H new ATOM 0 HB1 ALA A 256 11.232 -2.948 1.403 1.00 0.23 H new ATOM 0 HB2 ALA A 256 11.377 -4.488 2.284 1.00 0.23 H new ATOM 0 HB3 ALA A 256 12.383 -4.186 0.847 1.00 0.23 H new ATOM 582 N LEU A 257 9.113 -2.957 -0.836 1.00 0.14 N ATOM 583 CA LEU A 257 8.870 -1.847 -1.777 1.00 0.14 C ATOM 584 C LEU A 257 10.013 -0.848 -1.759 1.00 0.13 C ATOM 585 O LEU A 257 10.315 -0.273 -0.719 1.00 0.15 O ATOM 586 CB LEU A 257 7.589 -1.096 -1.369 1.00 0.15 C ATOM 587 CG LEU A 257 6.266 -1.676 -1.841 1.00 0.16 C ATOM 588 CD1 LEU A 257 6.350 -2.089 -3.299 1.00 0.21 C ATOM 589 CD2 LEU A 257 5.844 -2.825 -0.957 1.00 0.21 C ATOM 0 H LEU A 257 8.375 -3.050 -0.138 1.00 0.14 H new ATOM 0 HA LEU A 257 8.776 -2.276 -2.775 1.00 0.14 H new ATOM 0 HB2 LEU A 257 7.563 -1.037 -0.281 1.00 0.15 H new ATOM 0 HB3 LEU A 257 7.663 -0.074 -1.742 1.00 0.15 H new ATOM 0 HG LEU A 257 5.500 -0.904 -1.764 1.00 0.16 H new ATOM 0 HD11 LEU A 257 5.392 -2.501 -3.616 1.00 0.21 H new ATOM 0 HD12 LEU A 257 6.591 -1.219 -3.910 1.00 0.21 H new ATOM 0 HD13 LEU A 257 7.128 -2.843 -3.419 1.00 0.21 H new ATOM 0 HD21 LEU A 257 4.895 -3.227 -1.311 1.00 0.21 H new ATOM 0 HD22 LEU A 257 6.603 -3.606 -0.989 1.00 0.21 H new ATOM 0 HD23 LEU A 257 5.729 -2.472 0.068 1.00 0.21 H new ATOM 601 N ALA A 258 10.611 -0.610 -2.919 1.00 0.14 N ATOM 602 CA ALA A 258 11.671 0.379 -3.037 1.00 0.16 C ATOM 603 C ALA A 258 11.133 1.685 -3.603 1.00 0.17 C ATOM 604 O ALA A 258 10.981 1.835 -4.818 1.00 0.24 O ATOM 605 CB ALA A 258 12.766 -0.172 -3.916 1.00 0.22 C ATOM 0 H ALA A 258 10.380 -1.088 -3.790 1.00 0.14 H new ATOM 0 HA ALA A 258 12.075 0.591 -2.047 1.00 0.16 H new ATOM 0 HB1 ALA A 258 13.564 0.565 -4.008 1.00 0.22 H new ATOM 0 HB2 ALA A 258 13.164 -1.084 -3.472 1.00 0.22 H new ATOM 0 HB3 ALA A 258 12.362 -0.395 -4.904 1.00 0.22 H new ATOM 611 N LEU A 259 10.820 2.615 -2.707 1.00 0.13 N ATOM 612 CA LEU A 259 10.206 3.887 -3.076 1.00 0.15 C ATOM 613 C LEU A 259 10.519 4.923 -2.000 1.00 0.15 C ATOM 614 O LEU A 259 10.870 4.564 -0.876 1.00 0.18 O ATOM 615 CB LEU A 259 8.663 3.786 -3.312 1.00 0.20 C ATOM 616 CG LEU A 259 7.902 2.540 -2.785 1.00 0.19 C ATOM 617 CD1 LEU A 259 8.144 1.327 -3.658 1.00 0.66 C ATOM 618 CD2 LEU A 259 8.251 2.260 -1.332 1.00 0.55 C ATOM 0 H LEU A 259 10.984 2.509 -1.706 1.00 0.13 H new ATOM 0 HA LEU A 259 10.633 4.191 -4.032 1.00 0.15 H new ATOM 0 HB2 LEU A 259 8.203 4.667 -2.864 1.00 0.20 H new ATOM 0 HB3 LEU A 259 8.490 3.848 -4.386 1.00 0.20 H new ATOM 0 HG LEU A 259 6.836 2.761 -2.833 1.00 0.19 H new ATOM 0 HD11 LEU A 259 7.595 0.475 -3.257 1.00 0.66 H new ATOM 0 HD12 LEU A 259 7.802 1.534 -4.672 1.00 0.66 H new ATOM 0 HD13 LEU A 259 9.209 1.097 -3.674 1.00 0.66 H new ATOM 0 HD21 LEU A 259 7.704 1.382 -0.989 1.00 0.55 H new ATOM 0 HD22 LEU A 259 9.322 2.077 -1.244 1.00 0.55 H new ATOM 0 HD23 LEU A 259 7.978 3.120 -0.720 1.00 0.55 H new ATOM 630 N GLU A 260 10.368 6.198 -2.325 1.00 0.18 N ATOM 631 CA GLU A 260 10.828 7.261 -1.463 1.00 0.24 C ATOM 632 C GLU A 260 9.657 8.130 -1.038 1.00 0.20 C ATOM 633 O GLU A 260 8.502 7.824 -1.321 1.00 0.21 O ATOM 634 CB GLU A 260 11.909 8.095 -2.173 1.00 0.39 C ATOM 635 CG GLU A 260 11.402 9.348 -2.880 1.00 0.52 C ATOM 636 CD GLU A 260 12.347 9.824 -3.963 1.00 0.96 C ATOM 637 OE1 GLU A 260 12.261 9.315 -5.100 1.00 1.74 O ATOM 638 OE2 GLU A 260 13.173 10.715 -3.691 1.00 1.27 O ATOM 0 H GLU A 260 9.926 6.517 -3.187 1.00 0.18 H new ATOM 0 HA GLU A 260 11.273 6.827 -0.568 1.00 0.24 H new ATOM 0 HB2 GLU A 260 12.659 8.390 -1.439 1.00 0.39 H new ATOM 0 HB3 GLU A 260 12.411 7.462 -2.905 1.00 0.39 H new ATOM 0 HG2 GLU A 260 10.425 9.144 -3.318 1.00 0.52 H new ATOM 0 HG3 GLU A 260 11.263 10.143 -2.148 1.00 0.52 H new ATOM 645 N VAL A 261 9.966 9.183 -0.333 1.00 0.33 N ATOM 646 CA VAL A 261 8.974 10.099 0.179 1.00 0.32 C ATOM 647 C VAL A 261 8.310 10.929 -0.913 1.00 0.22 C ATOM 648 O VAL A 261 8.978 11.636 -1.669 1.00 0.28 O ATOM 649 CB VAL A 261 9.647 11.008 1.191 1.00 0.43 C ATOM 650 CG1 VAL A 261 8.703 12.089 1.671 1.00 0.92 C ATOM 651 CG2 VAL A 261 10.144 10.130 2.302 1.00 0.93 C ATOM 0 H VAL A 261 10.925 9.436 -0.093 1.00 0.33 H new ATOM 0 HA VAL A 261 8.178 9.516 0.642 1.00 0.32 H new ATOM 0 HB VAL A 261 10.486 11.543 0.746 1.00 0.43 H new ATOM 0 HG11 VAL A 261 9.214 12.724 2.395 1.00 0.92 H new ATOM 0 HG12 VAL A 261 8.380 12.693 0.823 1.00 0.92 H new ATOM 0 HG13 VAL A 261 7.833 11.630 2.141 1.00 0.92 H new ATOM 0 HG21 VAL A 261 10.637 10.742 3.057 1.00 0.93 H new ATOM 0 HG22 VAL A 261 9.303 9.604 2.754 1.00 0.93 H new ATOM 0 HG23 VAL A 261 10.853 9.405 1.903 1.00 0.93 H new ATOM 661 N GLY A 262 6.988 10.834 -0.985 1.00 0.17 N ATOM 662 CA GLY A 262 6.229 11.637 -1.913 1.00 0.20 C ATOM 663 C GLY A 262 5.741 10.817 -3.078 1.00 0.22 C ATOM 664 O GLY A 262 5.056 11.315 -3.973 1.00 0.31 O ATOM 0 H GLY A 262 6.427 10.207 -0.409 1.00 0.17 H new ATOM 0 HA2 GLY A 262 5.378 12.084 -1.399 1.00 0.20 H new ATOM 0 HA3 GLY A 262 6.848 12.457 -2.277 1.00 0.20 H new ATOM 668 N GLU A 263 6.086 9.547 -3.055 1.00 0.16 N ATOM 669 CA GLU A 263 5.784 8.659 -4.145 1.00 0.18 C ATOM 670 C GLU A 263 4.459 7.953 -3.905 1.00 0.15 C ATOM 671 O GLU A 263 3.775 8.219 -2.914 1.00 0.19 O ATOM 672 CB GLU A 263 6.927 7.667 -4.277 1.00 0.23 C ATOM 673 CG GLU A 263 8.283 8.350 -4.263 1.00 0.26 C ATOM 674 CD GLU A 263 8.557 9.125 -5.540 1.00 0.61 C ATOM 675 OE1 GLU A 263 8.899 8.491 -6.561 1.00 1.02 O ATOM 676 OE2 GLU A 263 8.415 10.367 -5.536 1.00 1.04 O ATOM 0 H GLU A 263 6.582 9.107 -2.280 1.00 0.16 H new ATOM 0 HA GLU A 263 5.682 9.219 -5.074 1.00 0.18 H new ATOM 0 HB2 GLU A 263 6.877 6.946 -3.461 1.00 0.23 H new ATOM 0 HB3 GLU A 263 6.814 7.106 -5.205 1.00 0.23 H new ATOM 0 HG2 GLU A 263 8.336 9.029 -3.412 1.00 0.26 H new ATOM 0 HG3 GLU A 263 9.062 7.601 -4.122 1.00 0.26 H new ATOM 683 N LEU A 264 4.098 7.056 -4.799 1.00 0.14 N ATOM 684 CA LEU A 264 2.834 6.357 -4.691 1.00 0.13 C ATOM 685 C LEU A 264 3.037 4.883 -5.002 1.00 0.15 C ATOM 686 O LEU A 264 3.878 4.534 -5.827 1.00 0.24 O ATOM 687 CB LEU A 264 1.821 6.969 -5.665 1.00 0.15 C ATOM 688 CG LEU A 264 0.366 6.552 -5.452 1.00 0.14 C ATOM 689 CD1 LEU A 264 -0.203 7.221 -4.213 1.00 0.14 C ATOM 690 CD2 LEU A 264 -0.466 6.890 -6.679 1.00 0.18 C ATOM 0 H LEU A 264 4.661 6.794 -5.608 1.00 0.14 H new ATOM 0 HA LEU A 264 2.451 6.455 -3.675 1.00 0.13 H new ATOM 0 HB2 LEU A 264 1.884 8.055 -5.592 1.00 0.15 H new ATOM 0 HB3 LEU A 264 2.112 6.701 -6.680 1.00 0.15 H new ATOM 0 HG LEU A 264 0.331 5.473 -5.302 1.00 0.14 H new ATOM 0 HD11 LEU A 264 -1.240 6.913 -4.077 1.00 0.14 H new ATOM 0 HD12 LEU A 264 0.381 6.927 -3.340 1.00 0.14 H new ATOM 0 HD13 LEU A 264 -0.159 8.304 -4.331 1.00 0.14 H new ATOM 0 HD21 LEU A 264 -1.500 6.587 -6.512 1.00 0.18 H new ATOM 0 HD22 LEU A 264 -0.427 7.964 -6.860 1.00 0.18 H new ATOM 0 HD23 LEU A 264 -0.068 6.361 -7.545 1.00 0.18 H new ATOM 702 N VAL A 265 2.280 4.023 -4.345 1.00 0.14 N ATOM 703 CA VAL A 265 2.388 2.598 -4.580 1.00 0.15 C ATOM 704 C VAL A 265 0.991 2.050 -4.796 1.00 0.15 C ATOM 705 O VAL A 265 0.029 2.572 -4.236 1.00 0.27 O ATOM 706 CB VAL A 265 3.093 1.864 -3.399 1.00 0.20 C ATOM 707 CG1 VAL A 265 2.114 1.106 -2.520 1.00 0.40 C ATOM 708 CG2 VAL A 265 4.152 0.914 -3.909 1.00 0.41 C ATOM 0 H VAL A 265 1.586 4.287 -3.646 1.00 0.14 H new ATOM 0 HA VAL A 265 3.005 2.426 -5.462 1.00 0.15 H new ATOM 0 HB VAL A 265 3.560 2.638 -2.791 1.00 0.20 H new ATOM 0 HG11 VAL A 265 2.656 0.613 -1.713 1.00 0.40 H new ATOM 0 HG12 VAL A 265 1.389 1.802 -2.098 1.00 0.40 H new ATOM 0 HG13 VAL A 265 1.593 0.358 -3.117 1.00 0.40 H new ATOM 0 HG21 VAL A 265 4.629 0.414 -3.066 1.00 0.41 H new ATOM 0 HG22 VAL A 265 3.691 0.170 -4.558 1.00 0.41 H new ATOM 0 HG23 VAL A 265 4.901 1.472 -4.471 1.00 0.41 H new ATOM 718 N LYS A 266 0.861 1.037 -5.619 1.00 0.13 N ATOM 719 CA LYS A 266 -0.432 0.437 -5.834 1.00 0.15 C ATOM 720 C LYS A 266 -0.498 -0.859 -5.047 1.00 0.13 C ATOM 721 O LYS A 266 0.059 -1.879 -5.445 1.00 0.14 O ATOM 722 CB LYS A 266 -0.682 0.223 -7.334 1.00 0.24 C ATOM 723 CG LYS A 266 -2.073 -0.280 -7.671 1.00 0.85 C ATOM 724 CD LYS A 266 -2.123 -1.794 -7.759 1.00 0.49 C ATOM 725 CE LYS A 266 -1.837 -2.298 -9.172 1.00 0.82 C ATOM 726 NZ LYS A 266 -0.483 -1.918 -9.670 1.00 1.32 N ATOM 0 H LYS A 266 1.626 0.615 -6.145 1.00 0.13 H new ATOM 0 HA LYS A 266 -1.223 1.098 -5.480 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.513 1.165 -7.856 1.00 0.24 H new ATOM 0 HB3 LYS A 266 0.051 -0.489 -7.714 1.00 0.24 H new ATOM 0 HG2 LYS A 266 -2.776 0.063 -6.912 1.00 0.85 H new ATOM 0 HG3 LYS A 266 -2.394 0.149 -8.620 1.00 0.85 H new ATOM 0 HD2 LYS A 266 -1.396 -2.221 -7.068 1.00 0.49 H new ATOM 0 HD3 LYS A 266 -3.106 -2.143 -7.442 1.00 0.49 H new ATOM 0 HE2 LYS A 266 -1.932 -3.384 -9.189 1.00 0.82 H new ATOM 0 HE3 LYS A 266 -2.591 -1.901 -9.852 1.00 0.82 H new ATOM 0 HZ1 LYS A 266 -0.350 -2.289 -10.632 1.00 1.32 H new ATOM 0 HZ2 LYS A 266 -0.396 -0.882 -9.683 1.00 1.32 H new ATOM 0 HZ3 LYS A 266 0.243 -2.318 -9.042 1.00 1.32 H new ATOM 740 N VAL A 267 -1.164 -0.798 -3.910 1.00 0.16 N ATOM 741 CA VAL A 267 -1.225 -1.922 -3.007 1.00 0.16 C ATOM 742 C VAL A 267 -2.229 -2.958 -3.521 1.00 0.17 C ATOM 743 O VAL A 267 -3.433 -2.702 -3.582 1.00 0.25 O ATOM 744 CB VAL A 267 -1.625 -1.492 -1.582 1.00 0.20 C ATOM 745 CG1 VAL A 267 -1.344 -2.588 -0.604 1.00 0.55 C ATOM 746 CG2 VAL A 267 -0.920 -0.236 -1.126 1.00 0.63 C ATOM 0 H VAL A 267 -1.673 0.027 -3.592 1.00 0.16 H new ATOM 0 HA VAL A 267 -0.227 -2.358 -2.965 1.00 0.16 H new ATOM 0 HB VAL A 267 -2.694 -1.281 -1.618 1.00 0.20 H new ATOM 0 HG11 VAL A 267 -1.633 -2.266 0.396 1.00 0.55 H new ATOM 0 HG12 VAL A 267 -1.914 -3.475 -0.878 1.00 0.55 H new ATOM 0 HG13 VAL A 267 -0.280 -2.823 -0.616 1.00 0.55 H new ATOM 0 HG21 VAL A 267 -1.243 0.016 -0.116 1.00 0.63 H new ATOM 0 HG22 VAL A 267 0.157 -0.401 -1.132 1.00 0.63 H new ATOM 0 HG23 VAL A 267 -1.165 0.584 -1.801 1.00 0.63 H new ATOM 756 N THR A 268 -1.712 -4.108 -3.913 1.00 0.15 N ATOM 757 CA THR A 268 -2.514 -5.216 -4.386 1.00 0.19 C ATOM 758 C THR A 268 -3.029 -6.075 -3.224 1.00 0.22 C ATOM 759 O THR A 268 -3.913 -6.914 -3.410 1.00 0.34 O ATOM 760 CB THR A 268 -1.693 -6.094 -5.360 1.00 0.24 C ATOM 761 OG1 THR A 268 -2.399 -7.301 -5.677 1.00 0.32 O ATOM 762 CG2 THR A 268 -0.324 -6.432 -4.776 1.00 0.29 C ATOM 0 H THR A 268 -0.710 -4.299 -3.911 1.00 0.15 H new ATOM 0 HA THR A 268 -3.375 -4.800 -4.909 1.00 0.19 H new ATOM 0 HB THR A 268 -1.547 -5.520 -6.275 1.00 0.24 H new ATOM 0 HG1 THR A 268 -3.048 -7.496 -4.969 1.00 0.32 H new ATOM 0 HG21 THR A 268 0.230 -7.050 -5.482 1.00 0.29 H new ATOM 0 HG22 THR A 268 0.228 -5.511 -4.587 1.00 0.29 H new ATOM 0 HG23 THR A 268 -0.452 -6.976 -3.840 1.00 0.29 H new ATOM 770 N LYS A 269 -2.477 -5.871 -2.029 1.00 0.18 N ATOM 771 CA LYS A 269 -2.869 -6.659 -0.866 1.00 0.20 C ATOM 772 C LYS A 269 -3.389 -5.754 0.234 1.00 0.22 C ATOM 773 O LYS A 269 -2.839 -4.702 0.463 1.00 0.35 O ATOM 774 CB LYS A 269 -1.686 -7.488 -0.356 1.00 0.23 C ATOM 775 CG LYS A 269 -2.082 -8.535 0.673 1.00 0.40 C ATOM 776 CD LYS A 269 -1.509 -9.899 0.334 1.00 1.55 C ATOM 777 CE LYS A 269 -1.993 -10.386 -1.022 1.00 2.25 C ATOM 778 NZ LYS A 269 -1.366 -11.677 -1.407 1.00 2.84 N ATOM 0 H LYS A 269 -1.760 -5.170 -1.843 1.00 0.18 H new ATOM 0 HA LYS A 269 -3.666 -7.340 -1.164 1.00 0.20 H new ATOM 0 HB2 LYS A 269 -1.207 -7.983 -1.201 1.00 0.23 H new ATOM 0 HB3 LYS A 269 -0.946 -6.819 0.083 1.00 0.23 H new ATOM 0 HG2 LYS A 269 -1.732 -8.228 1.658 1.00 0.40 H new ATOM 0 HG3 LYS A 269 -3.169 -8.600 0.727 1.00 0.40 H new ATOM 0 HD2 LYS A 269 -0.420 -9.848 0.336 1.00 1.55 H new ATOM 0 HD3 LYS A 269 -1.796 -10.616 1.103 1.00 1.55 H new ATOM 0 HE2 LYS A 269 -3.077 -10.502 -1.000 1.00 2.25 H new ATOM 0 HE3 LYS A 269 -1.768 -9.634 -1.778 1.00 2.25 H new ATOM 0 HZ1 LYS A 269 -1.724 -11.973 -2.338 1.00 2.84 H new ATOM 0 HZ2 LYS A 269 -0.334 -11.561 -1.454 1.00 2.84 H new ATOM 0 HZ3 LYS A 269 -1.601 -12.402 -0.699 1.00 2.84 H new ATOM 792 N ILE A 270 -4.445 -6.161 0.911 1.00 0.33 N ATOM 793 CA ILE A 270 -5.058 -5.314 1.924 1.00 0.39 C ATOM 794 C ILE A 270 -4.553 -5.614 3.330 1.00 0.55 C ATOM 795 O ILE A 270 -3.849 -6.600 3.566 1.00 0.73 O ATOM 796 CB ILE A 270 -6.596 -5.357 1.881 1.00 0.56 C ATOM 797 CG1 ILE A 270 -7.104 -6.750 1.474 1.00 0.93 C ATOM 798 CG2 ILE A 270 -7.101 -4.285 0.927 1.00 1.09 C ATOM 799 CD1 ILE A 270 -6.861 -7.825 2.513 1.00 1.90 C ATOM 0 H ILE A 270 -4.896 -7.066 0.782 1.00 0.33 H new ATOM 0 HA ILE A 270 -4.748 -4.300 1.674 1.00 0.39 H new ATOM 0 HB ILE A 270 -6.985 -5.157 2.879 1.00 0.56 H new ATOM 0 HG12 ILE A 270 -8.173 -6.690 1.272 1.00 0.93 H new ATOM 0 HG13 ILE A 270 -6.620 -7.044 0.543 1.00 0.93 H new ATOM 0 HG21 ILE A 270 -8.190 -4.312 0.893 1.00 1.09 H new ATOM 0 HG22 ILE A 270 -6.773 -3.305 1.274 1.00 1.09 H new ATOM 0 HG23 ILE A 270 -6.703 -4.469 -0.071 1.00 1.09 H new ATOM 0 HD11 ILE A 270 -7.248 -8.777 2.149 1.00 1.90 H new ATOM 0 HD12 ILE A 270 -5.791 -7.916 2.699 1.00 1.90 H new ATOM 0 HD13 ILE A 270 -7.369 -7.557 3.440 1.00 1.90 H new ATOM 811 N ASN A 271 -4.909 -4.729 4.247 1.00 0.60 N ATOM 812 CA ASN A 271 -4.392 -4.738 5.601 1.00 0.82 C ATOM 813 C ASN A 271 -5.060 -5.792 6.470 1.00 0.70 C ATOM 814 O ASN A 271 -6.244 -6.087 6.320 1.00 0.87 O ATOM 815 CB ASN A 271 -4.628 -3.365 6.231 1.00 1.17 C ATOM 816 CG ASN A 271 -6.097 -2.962 6.188 1.00 1.58 C ATOM 817 OD1 ASN A 271 -6.557 -2.349 5.230 1.00 2.28 O ATOM 818 ND2 ASN A 271 -6.848 -3.318 7.212 1.00 1.88 N ATOM 0 H ASN A 271 -5.573 -3.976 4.067 1.00 0.60 H new ATOM 0 HA ASN A 271 -3.329 -4.974 5.546 1.00 0.82 H new ATOM 0 HB2 ASN A 271 -4.286 -3.377 7.266 1.00 1.17 H new ATOM 0 HB3 ASN A 271 -4.032 -2.618 5.707 1.00 1.17 H new ATOM 0 HD21 ASN A 271 -7.841 -3.084 7.222 1.00 1.88 H new ATOM 0 HD22 ASN A 271 -6.436 -3.827 7.994 1.00 1.88 H new ATOM 825 N MET A 272 -4.278 -6.368 7.366 1.00 0.81 N ATOM 826 CA MET A 272 -4.823 -7.109 8.492 1.00 0.97 C ATOM 827 C MET A 272 -4.418 -6.398 9.778 1.00 1.02 C ATOM 828 O MET A 272 -5.164 -6.356 10.753 1.00 1.22 O ATOM 829 CB MET A 272 -4.343 -8.570 8.500 1.00 1.24 C ATOM 830 CG MET A 272 -2.856 -8.745 8.780 1.00 1.30 C ATOM 831 SD MET A 272 -1.811 -8.101 7.457 1.00 2.03 S ATOM 832 CE MET A 272 -2.225 -9.236 6.133 1.00 2.52 C ATOM 0 H MET A 272 -3.259 -6.337 7.336 1.00 0.81 H new ATOM 0 HA MET A 272 -5.909 -7.139 8.407 1.00 0.97 H new ATOM 0 HB2 MET A 272 -4.909 -9.121 9.252 1.00 1.24 H new ATOM 0 HB3 MET A 272 -4.573 -9.020 7.534 1.00 1.24 H new ATOM 0 HG2 MET A 272 -2.605 -8.240 9.713 1.00 1.30 H new ATOM 0 HG3 MET A 272 -2.641 -9.804 8.923 1.00 1.30 H new ATOM 0 HE1 MET A 272 -1.431 -9.230 5.387 1.00 2.52 H new ATOM 0 HE2 MET A 272 -2.335 -10.242 6.537 1.00 2.52 H new ATOM 0 HE3 MET A 272 -3.162 -8.927 5.669 1.00 2.52 H new ATOM 842 N SER A 273 -3.225 -5.820 9.749 1.00 0.93 N ATOM 843 CA SER A 273 -2.699 -5.056 10.856 1.00 1.02 C ATOM 844 C SER A 273 -2.180 -3.697 10.374 1.00 0.91 C ATOM 845 O SER A 273 -1.326 -3.087 11.018 1.00 1.14 O ATOM 846 CB SER A 273 -1.562 -5.853 11.476 1.00 1.14 C ATOM 847 OG SER A 273 -0.685 -6.328 10.468 1.00 1.50 O ATOM 0 H SER A 273 -2.596 -5.872 8.948 1.00 0.93 H new ATOM 0 HA SER A 273 -3.485 -4.875 11.589 1.00 1.02 H new ATOM 0 HB2 SER A 273 -1.013 -5.228 12.180 1.00 1.14 H new ATOM 0 HB3 SER A 273 -1.964 -6.693 12.042 1.00 1.14 H new ATOM 0 HG SER A 273 0.043 -6.838 10.881 1.00 1.50 H new ATOM 853 N GLY A 274 -2.701 -3.227 9.240 1.00 0.64 N ATOM 854 CA GLY A 274 -2.167 -2.017 8.631 1.00 0.61 C ATOM 855 C GLY A 274 -0.871 -2.295 7.925 1.00 0.49 C ATOM 856 O GLY A 274 -0.075 -1.404 7.707 1.00 0.57 O ATOM 0 H GLY A 274 -3.476 -3.658 8.736 1.00 0.64 H new ATOM 0 HA2 GLY A 274 -2.891 -1.612 7.924 1.00 0.61 H new ATOM 0 HA3 GLY A 274 -2.012 -1.258 9.398 1.00 0.61 H new ATOM 860 N GLN A 275 -0.662 -3.544 7.569 1.00 0.41 N ATOM 861 CA GLN A 275 0.554 -3.937 6.899 1.00 0.40 C ATOM 862 C GLN A 275 0.197 -4.684 5.631 1.00 0.32 C ATOM 863 O GLN A 275 -0.003 -5.898 5.638 1.00 0.41 O ATOM 864 CB GLN A 275 1.430 -4.778 7.827 1.00 0.56 C ATOM 865 CG GLN A 275 2.797 -5.112 7.248 1.00 0.69 C ATOM 866 CD GLN A 275 3.792 -5.570 8.298 1.00 0.76 C ATOM 867 OE1 GLN A 275 4.657 -6.402 8.026 1.00 1.36 O ATOM 868 NE2 GLN A 275 3.696 -5.016 9.502 1.00 0.81 N ATOM 0 H GLN A 275 -1.321 -4.305 7.734 1.00 0.41 H new ATOM 0 HA GLN A 275 1.133 -3.053 6.631 1.00 0.40 H new ATOM 0 HB2 GLN A 275 1.565 -4.243 8.767 1.00 0.56 H new ATOM 0 HB3 GLN A 275 0.908 -5.706 8.061 1.00 0.56 H new ATOM 0 HG2 GLN A 275 2.686 -5.893 6.496 1.00 0.69 H new ATOM 0 HG3 GLN A 275 3.194 -4.234 6.739 1.00 0.69 H new ATOM 0 HE21 GLN A 275 2.966 -4.330 9.691 1.00 0.81 H new ATOM 0 HE22 GLN A 275 4.353 -5.277 10.237 1.00 0.81 H new ATOM 877 N TRP A 276 0.054 -3.934 4.561 1.00 0.22 N ATOM 878 CA TRP A 276 -0.336 -4.490 3.289 1.00 0.17 C ATOM 879 C TRP A 276 0.876 -4.686 2.404 1.00 0.15 C ATOM 880 O TRP A 276 1.974 -4.220 2.718 1.00 0.19 O ATOM 881 CB TRP A 276 -1.345 -3.578 2.589 1.00 0.18 C ATOM 882 CG TRP A 276 -1.366 -2.164 3.105 1.00 0.21 C ATOM 883 CD1 TRP A 276 -0.292 -1.359 3.362 1.00 0.26 C ATOM 884 CD2 TRP A 276 -2.526 -1.386 3.402 1.00 0.28 C ATOM 885 NE1 TRP A 276 -0.717 -0.150 3.848 1.00 0.31 N ATOM 886 CE2 TRP A 276 -2.081 -0.137 3.868 1.00 0.31 C ATOM 887 CE3 TRP A 276 -3.899 -1.627 3.330 1.00 0.38 C ATOM 888 CZ2 TRP A 276 -2.958 0.865 4.259 1.00 0.40 C ATOM 889 CZ3 TRP A 276 -4.768 -0.628 3.717 1.00 0.48 C ATOM 890 CH2 TRP A 276 -4.295 0.602 4.177 1.00 0.47 C ATOM 0 H TRP A 276 0.205 -2.925 4.550 1.00 0.22 H new ATOM 0 HA TRP A 276 -0.803 -5.458 3.471 1.00 0.17 H new ATOM 0 HB2 TRP A 276 -1.121 -3.560 1.522 1.00 0.18 H new ATOM 0 HB3 TRP A 276 -2.341 -4.007 2.698 1.00 0.18 H new ATOM 0 HD1 TRP A 276 0.740 -1.635 3.205 1.00 0.26 H new ATOM 0 HE1 TRP A 276 -0.112 0.615 4.146 1.00 0.31 H new ATOM 0 HE3 TRP A 276 -4.274 -2.577 2.978 1.00 0.38 H new ATOM 0 HZ2 TRP A 276 -2.596 1.818 4.615 1.00 0.40 H new ATOM 0 HZ3 TRP A 276 -5.833 -0.801 3.663 1.00 0.48 H new ATOM 0 HH2 TRP A 276 -5.002 1.362 4.475 1.00 0.47 H new ATOM 901 N GLU A 277 0.667 -5.363 1.297 1.00 0.12 N ATOM 902 CA GLU A 277 1.715 -5.589 0.345 1.00 0.12 C ATOM 903 C GLU A 277 1.584 -4.607 -0.777 1.00 0.11 C ATOM 904 O GLU A 277 0.559 -4.558 -1.418 1.00 0.12 O ATOM 905 CB GLU A 277 1.627 -6.990 -0.229 1.00 0.14 C ATOM 906 CG GLU A 277 1.986 -8.071 0.753 1.00 0.19 C ATOM 907 CD GLU A 277 2.294 -9.381 0.064 1.00 1.21 C ATOM 908 OE1 GLU A 277 1.392 -9.947 -0.591 1.00 1.55 O ATOM 909 OE2 GLU A 277 3.447 -9.837 0.140 1.00 2.07 O ATOM 0 H GLU A 277 -0.233 -5.768 1.038 1.00 0.12 H new ATOM 0 HA GLU A 277 2.672 -5.469 0.852 1.00 0.12 H new ATOM 0 HB2 GLU A 277 0.613 -7.162 -0.590 1.00 0.14 H new ATOM 0 HB3 GLU A 277 2.289 -7.061 -1.092 1.00 0.14 H new ATOM 0 HG2 GLU A 277 2.850 -7.757 1.338 1.00 0.19 H new ATOM 0 HG3 GLU A 277 1.162 -8.214 1.452 1.00 0.19 H new ATOM 916 N GLY A 278 2.629 -3.878 -1.049 1.00 0.13 N ATOM 917 CA GLY A 278 2.559 -2.883 -2.087 1.00 0.12 C ATOM 918 C GLY A 278 3.129 -3.401 -3.365 1.00 0.12 C ATOM 919 O GLY A 278 3.847 -4.402 -3.374 1.00 0.15 O ATOM 0 H GLY A 278 3.529 -3.950 -0.575 1.00 0.13 H new ATOM 0 HA2 GLY A 278 1.522 -2.586 -2.241 1.00 0.12 H new ATOM 0 HA3 GLY A 278 3.103 -1.991 -1.777 1.00 0.12 H new ATOM 923 N GLU A 279 2.815 -2.725 -4.435 1.00 0.11 N ATOM 924 CA GLU A 279 3.409 -3.022 -5.703 1.00 0.14 C ATOM 925 C GLU A 279 3.657 -1.706 -6.417 1.00 0.17 C ATOM 926 O GLU A 279 2.730 -0.948 -6.697 1.00 0.20 O ATOM 927 CB GLU A 279 2.476 -3.951 -6.492 1.00 0.20 C ATOM 928 CG GLU A 279 3.068 -4.517 -7.770 1.00 0.31 C ATOM 929 CD GLU A 279 2.922 -3.580 -8.947 1.00 1.08 C ATOM 930 OE1 GLU A 279 1.769 -3.268 -9.318 1.00 1.27 O ATOM 931 OE2 GLU A 279 3.952 -3.158 -9.506 1.00 2.07 O ATOM 0 H GLU A 279 2.144 -1.957 -4.450 1.00 0.11 H new ATOM 0 HA GLU A 279 4.361 -3.542 -5.594 1.00 0.14 H new ATOM 0 HB2 GLU A 279 2.182 -4.779 -5.847 1.00 0.20 H new ATOM 0 HB3 GLU A 279 1.567 -3.403 -6.741 1.00 0.20 H new ATOM 0 HG2 GLU A 279 4.125 -4.732 -7.612 1.00 0.31 H new ATOM 0 HG3 GLU A 279 2.581 -5.464 -8.003 1.00 0.31 H new ATOM 938 N CYS A 280 4.917 -1.427 -6.679 1.00 0.20 N ATOM 939 CA CYS A 280 5.295 -0.160 -7.281 1.00 0.27 C ATOM 940 C CYS A 280 5.876 -0.338 -8.662 1.00 0.29 C ATOM 941 O CYS A 280 7.098 -0.393 -8.798 1.00 0.33 O ATOM 942 CB CYS A 280 6.377 0.499 -6.443 1.00 0.39 C ATOM 943 SG CYS A 280 6.135 2.260 -6.175 1.00 0.51 S ATOM 0 H CYS A 280 5.696 -2.056 -6.486 1.00 0.20 H new ATOM 0 HA CYS A 280 4.388 0.442 -7.336 1.00 0.27 H new ATOM 0 HB2 CYS A 280 6.426 -0.001 -5.475 1.00 0.39 H new ATOM 0 HB3 CYS A 280 7.340 0.346 -6.929 1.00 0.39 H new ATOM 0 HG CYS A 280 7.290 2.842 -6.045 1.00 0.51 H new ATOM 949 N ASN A 281 5.029 -0.312 -9.680 1.00 0.37 N ATOM 950 CA ASN A 281 5.479 -0.491 -11.058 1.00 0.49 C ATOM 951 C ASN A 281 6.586 -1.545 -11.123 1.00 0.45 C ATOM 952 O ASN A 281 7.578 -1.390 -11.833 1.00 0.53 O ATOM 953 CB ASN A 281 5.963 0.842 -11.637 1.00 0.63 C ATOM 954 CG ASN A 281 4.862 1.885 -11.703 1.00 0.80 C ATOM 955 OD1 ASN A 281 5.120 3.079 -11.569 1.00 1.44 O ATOM 956 ND2 ASN A 281 3.627 1.447 -11.916 1.00 0.97 N ATOM 0 H ASN A 281 4.024 -0.169 -9.581 1.00 0.37 H new ATOM 0 HA ASN A 281 4.639 -0.840 -11.659 1.00 0.49 H new ATOM 0 HB2 ASN A 281 6.782 1.222 -11.027 1.00 0.63 H new ATOM 0 HB3 ASN A 281 6.361 0.676 -12.638 1.00 0.63 H new ATOM 0 HD21 ASN A 281 2.854 2.110 -11.973 1.00 0.97 H new ATOM 0 HD22 ASN A 281 3.451 0.448 -12.022 1.00 0.97 H new ATOM 963 N GLY A 282 6.371 -2.635 -10.401 1.00 0.37 N ATOM 964 CA GLY A 282 7.330 -3.707 -10.338 1.00 0.39 C ATOM 965 C GLY A 282 8.060 -3.871 -9.014 1.00 0.34 C ATOM 966 O GLY A 282 8.756 -4.869 -8.835 1.00 0.46 O ATOM 0 H GLY A 282 5.529 -2.793 -9.848 1.00 0.37 H new ATOM 0 HA2 GLY A 282 6.817 -4.641 -10.565 1.00 0.39 H new ATOM 0 HA3 GLY A 282 8.071 -3.552 -11.122 1.00 0.39 H new ATOM 970 N LYS A 283 7.934 -2.937 -8.081 1.00 0.25 N ATOM 971 CA LYS A 283 8.305 -3.244 -6.709 1.00 0.23 C ATOM 972 C LYS A 283 7.177 -4.008 -6.063 1.00 0.14 C ATOM 973 O LYS A 283 6.017 -3.752 -6.343 1.00 0.17 O ATOM 974 CB LYS A 283 8.594 -1.995 -5.858 1.00 0.33 C ATOM 975 CG LYS A 283 9.213 -0.861 -6.624 1.00 0.74 C ATOM 976 CD LYS A 283 10.610 -1.176 -7.068 1.00 0.61 C ATOM 977 CE LYS A 283 11.292 -2.200 -6.176 1.00 1.28 C ATOM 978 NZ LYS A 283 12.545 -2.710 -6.783 1.00 1.93 N ATOM 0 H LYS A 283 7.589 -1.990 -8.241 1.00 0.25 H new ATOM 0 HA LYS A 283 9.225 -3.826 -6.752 1.00 0.23 H new ATOM 0 HB2 LYS A 283 7.662 -1.651 -5.410 1.00 0.33 H new ATOM 0 HB3 LYS A 283 9.258 -2.272 -5.040 1.00 0.33 H new ATOM 0 HG2 LYS A 283 8.599 -0.635 -7.495 1.00 0.74 H new ATOM 0 HG3 LYS A 283 9.224 0.033 -6.001 1.00 0.74 H new ATOM 0 HD2 LYS A 283 10.586 -1.550 -8.091 1.00 0.61 H new ATOM 0 HD3 LYS A 283 11.199 -0.259 -7.078 1.00 0.61 H new ATOM 0 HE2 LYS A 283 11.514 -1.749 -5.209 1.00 1.28 H new ATOM 0 HE3 LYS A 283 10.612 -3.032 -5.992 1.00 1.28 H new ATOM 0 HZ1 LYS A 283 12.981 -3.406 -6.145 1.00 1.93 H new ATOM 0 HZ2 LYS A 283 12.330 -3.162 -7.694 1.00 1.93 H new ATOM 0 HZ3 LYS A 283 13.204 -1.920 -6.936 1.00 1.93 H new ATOM 992 N ARG A 284 7.525 -4.936 -5.217 1.00 0.16 N ATOM 993 CA ARG A 284 6.557 -5.619 -4.393 1.00 0.12 C ATOM 994 C ARG A 284 7.031 -5.485 -2.961 1.00 0.13 C ATOM 995 O ARG A 284 8.102 -4.945 -2.735 1.00 0.20 O ATOM 996 CB ARG A 284 6.440 -7.096 -4.792 1.00 0.18 C ATOM 997 CG ARG A 284 5.446 -7.897 -3.954 1.00 0.21 C ATOM 998 CD ARG A 284 4.010 -7.585 -4.330 1.00 0.26 C ATOM 999 NE ARG A 284 3.060 -8.357 -3.529 1.00 0.41 N ATOM 1000 CZ ARG A 284 1.976 -8.948 -4.031 1.00 0.52 C ATOM 1001 NH1 ARG A 284 1.761 -8.942 -5.340 1.00 0.57 N ATOM 1002 NH2 ARG A 284 1.126 -9.572 -3.228 1.00 0.67 N ATOM 0 H ARG A 284 8.487 -5.244 -5.076 1.00 0.16 H new ATOM 0 HA ARG A 284 5.566 -5.182 -4.518 1.00 0.12 H new ATOM 0 HB2 ARG A 284 6.144 -7.155 -5.840 1.00 0.18 H new ATOM 0 HB3 ARG A 284 7.423 -7.561 -4.711 1.00 0.18 H new ATOM 0 HG2 ARG A 284 5.633 -8.962 -4.088 1.00 0.21 H new ATOM 0 HG3 ARG A 284 5.601 -7.677 -2.898 1.00 0.21 H new ATOM 0 HD2 ARG A 284 3.821 -6.520 -4.192 1.00 0.26 H new ATOM 0 HD3 ARG A 284 3.855 -7.802 -5.387 1.00 0.26 H new ATOM 0 HE ARG A 284 3.237 -8.448 -2.529 1.00 0.41 H new ATOM 0 HH11 ARG A 284 2.426 -8.485 -5.964 1.00 0.57 H new ATOM 0 HH12 ARG A 284 0.931 -9.395 -5.723 1.00 0.57 H new ATOM 0 HH21 ARG A 284 1.301 -9.601 -2.223 1.00 0.67 H new ATOM 0 HH22 ARG A 284 0.297 -10.024 -3.615 1.00 0.67 H new ATOM 1016 N GLY A 285 6.229 -5.887 -2.006 1.00 0.14 N ATOM 1017 CA GLY A 285 6.717 -6.013 -0.659 1.00 0.18 C ATOM 1018 C GLY A 285 5.598 -5.844 0.318 1.00 0.14 C ATOM 1019 O GLY A 285 4.451 -6.017 -0.047 1.00 0.15 O ATOM 0 H GLY A 285 5.247 -6.130 -2.136 1.00 0.14 H new ATOM 0 HA2 GLY A 285 7.182 -6.989 -0.524 1.00 0.18 H new ATOM 0 HA3 GLY A 285 7.487 -5.264 -0.473 1.00 0.18 H new ATOM 1023 N HIS A 286 5.916 -5.498 1.543 1.00 0.15 N ATOM 1024 CA HIS A 286 4.892 -5.198 2.527 1.00 0.13 C ATOM 1025 C HIS A 286 5.396 -4.163 3.509 1.00 0.15 C ATOM 1026 O HIS A 286 6.534 -4.230 3.967 1.00 0.20 O ATOM 1027 CB HIS A 286 4.397 -6.464 3.245 1.00 0.18 C ATOM 1028 CG HIS A 286 5.459 -7.309 3.884 1.00 0.26 C ATOM 1029 ND1 HIS A 286 5.173 -8.334 4.754 1.00 0.75 N ATOM 1030 CD2 HIS A 286 6.800 -7.325 3.723 1.00 0.67 C ATOM 1031 CE1 HIS A 286 6.292 -8.941 5.094 1.00 0.65 C ATOM 1032 NE2 HIS A 286 7.292 -8.351 4.482 1.00 0.52 N ATOM 0 H HIS A 286 6.873 -5.416 1.886 1.00 0.15 H new ATOM 0 HA HIS A 286 4.032 -4.783 2.001 1.00 0.13 H new ATOM 0 HB2 HIS A 286 3.684 -6.167 4.014 1.00 0.18 H new ATOM 0 HB3 HIS A 286 3.854 -7.078 2.526 1.00 0.18 H new ATOM 0 HD1 HIS A 286 4.241 -8.585 5.084 1.00 0.75 H new ATOM 0 HD2 HIS A 286 7.378 -6.651 3.108 1.00 0.67 H new ATOM 0 HE1 HIS A 286 6.373 -9.784 5.765 1.00 0.65 H new ATOM 1041 N PHE A 287 4.552 -3.192 3.796 1.00 0.14 N ATOM 1042 CA PHE A 287 4.930 -2.068 4.639 1.00 0.17 C ATOM 1043 C PHE A 287 3.742 -1.586 5.468 1.00 0.20 C ATOM 1044 O PHE A 287 2.609 -1.573 4.986 1.00 0.29 O ATOM 1045 CB PHE A 287 5.499 -0.927 3.783 1.00 0.20 C ATOM 1046 CG PHE A 287 6.965 -1.063 3.493 1.00 0.17 C ATOM 1047 CD1 PHE A 287 7.901 -0.872 4.498 1.00 0.26 C ATOM 1048 CD2 PHE A 287 7.408 -1.366 2.220 1.00 0.21 C ATOM 1049 CE1 PHE A 287 9.251 -0.985 4.236 1.00 0.32 C ATOM 1050 CE2 PHE A 287 8.757 -1.477 1.950 1.00 0.25 C ATOM 1051 CZ PHE A 287 9.681 -1.287 2.960 1.00 0.30 C ATOM 0 H PHE A 287 3.591 -3.156 3.456 1.00 0.14 H new ATOM 0 HA PHE A 287 5.706 -2.401 5.329 1.00 0.17 H new ATOM 0 HB2 PHE A 287 4.954 -0.885 2.840 1.00 0.20 H new ATOM 0 HB3 PHE A 287 5.325 0.020 4.294 1.00 0.20 H new ATOM 0 HD1 PHE A 287 7.570 -0.632 5.497 1.00 0.26 H new ATOM 0 HD2 PHE A 287 6.691 -1.518 1.427 1.00 0.21 H new ATOM 0 HE1 PHE A 287 9.970 -0.837 5.028 1.00 0.32 H new ATOM 0 HE2 PHE A 287 9.090 -1.712 0.950 1.00 0.25 H new ATOM 0 HZ PHE A 287 10.737 -1.375 2.751 1.00 0.30 H new ATOM 1061 N PRO A 288 3.988 -1.192 6.730 1.00 0.22 N ATOM 1062 CA PRO A 288 2.934 -0.797 7.667 1.00 0.26 C ATOM 1063 C PRO A 288 2.370 0.602 7.406 1.00 0.24 C ATOM 1064 O PRO A 288 3.023 1.457 6.799 1.00 0.28 O ATOM 1065 CB PRO A 288 3.626 -0.836 9.042 1.00 0.33 C ATOM 1066 CG PRO A 288 4.991 -1.396 8.802 1.00 0.54 C ATOM 1067 CD PRO A 288 5.310 -1.121 7.362 1.00 0.32 C ATOM 0 HA PRO A 288 2.074 -1.461 7.578 1.00 0.26 H new ATOM 0 HB2 PRO A 288 3.685 0.162 9.477 1.00 0.33 H new ATOM 0 HB3 PRO A 288 3.067 -1.457 9.742 1.00 0.33 H new ATOM 0 HG2 PRO A 288 5.724 -0.929 9.459 1.00 0.54 H new ATOM 0 HG3 PRO A 288 5.014 -2.466 9.008 1.00 0.54 H new ATOM 0 HD2 PRO A 288 5.773 -0.143 7.228 1.00 0.32 H new ATOM 0 HD3 PRO A 288 5.998 -1.859 6.950 1.00 0.32 H new ATOM 1075 N PHE A 289 1.157 0.819 7.916 1.00 0.31 N ATOM 1076 CA PHE A 289 0.423 2.074 7.766 1.00 0.37 C ATOM 1077 C PHE A 289 1.179 3.218 8.443 1.00 0.33 C ATOM 1078 O PHE A 289 0.949 4.391 8.162 1.00 0.39 O ATOM 1079 CB PHE A 289 -0.969 1.935 8.402 1.00 0.60 C ATOM 1080 CG PHE A 289 -2.045 2.770 7.751 1.00 0.42 C ATOM 1081 CD1 PHE A 289 -1.889 4.137 7.577 1.00 1.07 C ATOM 1082 CD2 PHE A 289 -3.219 2.177 7.317 1.00 0.84 C ATOM 1083 CE1 PHE A 289 -2.879 4.892 6.978 1.00 1.12 C ATOM 1084 CE2 PHE A 289 -4.214 2.928 6.719 1.00 0.81 C ATOM 1085 CZ PHE A 289 -4.044 4.288 6.549 1.00 0.50 C ATOM 0 H PHE A 289 0.650 0.116 8.453 1.00 0.31 H new ATOM 0 HA PHE A 289 0.323 2.297 6.704 1.00 0.37 H new ATOM 0 HB2 PHE A 289 -1.268 0.887 8.364 1.00 0.60 H new ATOM 0 HB3 PHE A 289 -0.902 2.210 9.455 1.00 0.60 H new ATOM 0 HD1 PHE A 289 -0.982 4.617 7.914 1.00 1.07 H new ATOM 0 HD2 PHE A 289 -3.359 1.114 7.447 1.00 0.84 H new ATOM 0 HE1 PHE A 289 -2.741 5.955 6.845 1.00 1.12 H new ATOM 0 HE2 PHE A 289 -5.124 2.451 6.385 1.00 0.81 H new ATOM 0 HZ PHE A 289 -4.820 4.877 6.082 1.00 0.50 H new ATOM 1095 N THR A 290 2.107 2.839 9.312 1.00 0.33 N ATOM 1096 CA THR A 290 2.822 3.754 10.186 1.00 0.41 C ATOM 1097 C THR A 290 3.536 4.907 9.453 1.00 0.38 C ATOM 1098 O THR A 290 3.973 5.862 10.092 1.00 0.57 O ATOM 1099 CB THR A 290 3.845 2.953 11.011 1.00 0.51 C ATOM 1100 OG1 THR A 290 4.629 2.134 10.137 1.00 0.50 O ATOM 1101 CG2 THR A 290 3.151 2.064 12.037 1.00 0.61 C ATOM 0 H THR A 290 2.388 1.866 9.430 1.00 0.33 H new ATOM 0 HA THR A 290 2.074 4.227 10.822 1.00 0.41 H new ATOM 0 HB THR A 290 4.483 3.661 11.539 1.00 0.51 H new ATOM 0 HG1 THR A 290 5.281 1.626 10.663 1.00 0.50 H new ATOM 0 HG21 THR A 290 3.899 1.511 12.604 1.00 0.61 H new ATOM 0 HG22 THR A 290 2.564 2.682 12.717 1.00 0.61 H new ATOM 0 HG23 THR A 290 2.492 1.363 11.525 1.00 0.61 H new ATOM 1109 N HIS A 291 3.655 4.835 8.125 1.00 0.25 N ATOM 1110 CA HIS A 291 4.320 5.896 7.369 1.00 0.26 C ATOM 1111 C HIS A 291 3.863 5.891 5.912 1.00 0.23 C ATOM 1112 O HIS A 291 4.634 6.186 4.994 1.00 0.26 O ATOM 1113 CB HIS A 291 5.859 5.804 7.479 1.00 0.35 C ATOM 1114 CG HIS A 291 6.424 4.409 7.473 1.00 0.40 C ATOM 1115 ND1 HIS A 291 6.840 3.769 6.330 1.00 1.01 N ATOM 1116 CD2 HIS A 291 6.657 3.544 8.487 1.00 1.26 C ATOM 1117 CE1 HIS A 291 7.298 2.569 6.638 1.00 0.72 C ATOM 1118 NE2 HIS A 291 7.202 2.409 7.940 1.00 0.88 N ATOM 0 H HIS A 291 3.304 4.063 7.558 1.00 0.25 H new ATOM 0 HA HIS A 291 4.028 6.848 7.811 1.00 0.26 H new ATOM 0 HB2 HIS A 291 6.299 6.360 6.651 1.00 0.35 H new ATOM 0 HB3 HIS A 291 6.171 6.300 8.398 1.00 0.35 H new ATOM 0 HD1 HIS A 291 6.801 4.160 5.389 1.00 1.01 H new ATOM 0 HD2 HIS A 291 6.452 3.715 9.534 1.00 1.26 H new ATOM 0 HE1 HIS A 291 7.686 1.842 5.939 1.00 0.72 H new ATOM 1127 N VAL A 292 2.593 5.548 5.715 1.00 0.21 N ATOM 1128 CA VAL A 292 1.948 5.611 4.407 1.00 0.21 C ATOM 1129 C VAL A 292 0.558 6.227 4.534 1.00 0.24 C ATOM 1130 O VAL A 292 -0.043 6.193 5.607 1.00 0.32 O ATOM 1131 CB VAL A 292 1.814 4.217 3.779 1.00 0.23 C ATOM 1132 CG1 VAL A 292 3.181 3.635 3.488 1.00 0.49 C ATOM 1133 CG2 VAL A 292 1.037 3.297 4.694 1.00 0.51 C ATOM 0 H VAL A 292 1.980 5.217 6.461 1.00 0.21 H new ATOM 0 HA VAL A 292 2.575 6.228 3.764 1.00 0.21 H new ATOM 0 HB VAL A 292 1.269 4.314 2.840 1.00 0.23 H new ATOM 0 HG11 VAL A 292 3.068 2.646 3.043 1.00 0.49 H new ATOM 0 HG12 VAL A 292 3.714 4.286 2.795 1.00 0.49 H new ATOM 0 HG13 VAL A 292 3.747 3.553 4.416 1.00 0.49 H new ATOM 0 HG21 VAL A 292 0.951 2.313 4.233 1.00 0.51 H new ATOM 0 HG22 VAL A 292 1.558 3.207 5.647 1.00 0.51 H new ATOM 0 HG23 VAL A 292 0.041 3.707 4.862 1.00 0.51 H new ATOM 1143 N ARG A 293 0.055 6.793 3.447 1.00 0.21 N ATOM 1144 CA ARG A 293 -1.261 7.423 3.452 1.00 0.24 C ATOM 1145 C ARG A 293 -2.081 6.952 2.270 1.00 0.24 C ATOM 1146 O ARG A 293 -1.795 7.299 1.136 1.00 0.40 O ATOM 1147 CB ARG A 293 -1.102 8.931 3.403 1.00 0.33 C ATOM 1148 CG ARG A 293 -0.287 9.477 4.565 1.00 0.38 C ATOM 1149 CD ARG A 293 -1.062 9.387 5.872 1.00 0.45 C ATOM 1150 NE ARG A 293 -0.237 9.712 7.037 1.00 0.55 N ATOM 1151 CZ ARG A 293 -0.016 8.871 8.051 1.00 0.61 C ATOM 1152 NH1 ARG A 293 -0.505 7.638 8.015 1.00 0.69 N ATOM 1153 NH2 ARG A 293 0.714 9.256 9.090 1.00 0.74 N ATOM 0 H ARG A 293 0.537 6.830 2.549 1.00 0.21 H new ATOM 0 HA ARG A 293 -1.782 7.142 4.367 1.00 0.24 H new ATOM 0 HB2 ARG A 293 -0.621 9.211 2.465 1.00 0.33 H new ATOM 0 HB3 ARG A 293 -2.088 9.396 3.407 1.00 0.33 H new ATOM 0 HG2 ARG A 293 0.645 8.919 4.653 1.00 0.38 H new ATOM 0 HG3 ARG A 293 -0.019 10.515 4.369 1.00 0.38 H new ATOM 0 HD2 ARG A 293 -1.914 10.066 5.833 1.00 0.45 H new ATOM 0 HD3 ARG A 293 -1.463 8.380 5.984 1.00 0.45 H new ATOM 0 HE ARG A 293 0.195 10.635 7.077 1.00 0.55 H new ATOM 0 HH11 ARG A 293 -1.052 7.329 7.211 1.00 0.69 H new ATOM 0 HH12 ARG A 293 -0.334 6.999 8.791 1.00 0.69 H new ATOM 0 HH21 ARG A 293 1.108 10.196 9.116 1.00 0.74 H new ATOM 0 HH22 ARG A 293 0.881 8.612 9.863 1.00 0.74 H new ATOM 1167 N LEU A 294 -3.113 6.186 2.542 1.00 0.23 N ATOM 1168 CA LEU A 294 -3.790 5.442 1.495 1.00 0.26 C ATOM 1169 C LEU A 294 -4.794 6.257 0.708 1.00 0.27 C ATOM 1170 O LEU A 294 -5.533 7.094 1.226 1.00 0.34 O ATOM 1171 CB LEU A 294 -4.458 4.215 2.092 1.00 0.38 C ATOM 1172 CG LEU A 294 -4.789 3.083 1.139 1.00 0.41 C ATOM 1173 CD1 LEU A 294 -3.531 2.329 0.809 1.00 1.17 C ATOM 1174 CD2 LEU A 294 -5.824 2.155 1.754 1.00 1.31 C ATOM 0 H LEU A 294 -3.504 6.060 3.476 1.00 0.23 H new ATOM 0 HA LEU A 294 -3.023 5.149 0.779 1.00 0.26 H new ATOM 0 HB2 LEU A 294 -3.808 3.821 2.874 1.00 0.38 H new ATOM 0 HB3 LEU A 294 -5.382 4.533 2.575 1.00 0.38 H new ATOM 0 HG LEU A 294 -5.211 3.495 0.222 1.00 0.41 H new ATOM 0 HD11 LEU A 294 -3.764 1.514 0.124 1.00 1.17 H new ATOM 0 HD12 LEU A 294 -2.815 3.004 0.340 1.00 1.17 H new ATOM 0 HD13 LEU A 294 -3.100 1.922 1.724 1.00 1.17 H new ATOM 0 HD21 LEU A 294 -6.050 1.348 1.056 1.00 1.31 H new ATOM 0 HD22 LEU A 294 -5.431 1.735 2.680 1.00 1.31 H new ATOM 0 HD23 LEU A 294 -6.734 2.716 1.967 1.00 1.31 H new ATOM 1186 N LEU A 295 -4.760 5.963 -0.567 1.00 0.27 N ATOM 1187 CA LEU A 295 -5.618 6.515 -1.577 1.00 0.31 C ATOM 1188 C LEU A 295 -6.573 5.447 -2.075 1.00 0.36 C ATOM 1189 O LEU A 295 -6.666 5.177 -3.274 1.00 0.52 O ATOM 1190 CB LEU A 295 -4.769 6.967 -2.736 1.00 0.33 C ATOM 1191 CG LEU A 295 -4.161 8.349 -2.644 1.00 0.32 C ATOM 1192 CD1 LEU A 295 -3.045 8.399 -1.613 1.00 0.32 C ATOM 1193 CD2 LEU A 295 -3.658 8.714 -4.010 1.00 0.39 C ATOM 0 H LEU A 295 -4.092 5.292 -0.947 1.00 0.27 H new ATOM 0 HA LEU A 295 -6.181 7.350 -1.160 1.00 0.31 H new ATOM 0 HB2 LEU A 295 -3.959 6.248 -2.863 1.00 0.33 H new ATOM 0 HB3 LEU A 295 -5.378 6.924 -3.639 1.00 0.33 H new ATOM 0 HG LEU A 295 -4.912 9.067 -2.314 1.00 0.32 H new ATOM 0 HD11 LEU A 295 -2.631 9.407 -1.573 1.00 0.32 H new ATOM 0 HD12 LEU A 295 -3.442 8.131 -0.634 1.00 0.32 H new ATOM 0 HD13 LEU A 295 -2.261 7.695 -1.891 1.00 0.32 H new ATOM 0 HD21 LEU A 295 -3.212 9.708 -3.980 1.00 0.39 H new ATOM 0 HD22 LEU A 295 -2.908 7.989 -4.327 1.00 0.39 H new ATOM 0 HD23 LEU A 295 -4.488 8.710 -4.716 1.00 0.39 H new ATOM 1205 N ASP A 296 -7.259 4.845 -1.149 1.00 0.55 N ATOM 1206 CA ASP A 296 -8.005 3.628 -1.400 1.00 0.66 C ATOM 1207 C ASP A 296 -9.196 3.840 -2.338 1.00 0.86 C ATOM 1208 O ASP A 296 -9.753 4.937 -2.431 1.00 1.45 O ATOM 1209 CB ASP A 296 -8.430 2.984 -0.080 1.00 1.02 C ATOM 1210 CG ASP A 296 -9.267 3.871 0.816 1.00 1.32 C ATOM 1211 OD1 ASP A 296 -8.826 5.000 1.132 1.00 1.84 O ATOM 1212 OD2 ASP A 296 -10.340 3.417 1.261 1.00 1.97 O ATOM 0 H ASP A 296 -7.323 5.180 -0.188 1.00 0.55 H new ATOM 0 HA ASP A 296 -7.338 2.942 -1.922 1.00 0.66 H new ATOM 0 HB2 ASP A 296 -8.993 2.077 -0.299 1.00 1.02 H new ATOM 0 HB3 ASP A 296 -7.536 2.680 0.465 1.00 1.02 H new ATOM 1217 N GLN A 297 -9.542 2.772 -3.057 1.00 0.62 N ATOM 1218 CA GLN A 297 -10.605 2.804 -4.065 1.00 0.87 C ATOM 1219 C GLN A 297 -11.671 1.736 -3.789 1.00 1.60 C ATOM 1220 O GLN A 297 -12.757 2.090 -3.282 1.00 2.38 O ATOM 1221 CB GLN A 297 -10.030 2.592 -5.472 1.00 1.01 C ATOM 1222 CG GLN A 297 -8.973 3.606 -5.871 1.00 2.20 C ATOM 1223 CD GLN A 297 -8.524 3.439 -7.309 1.00 3.20 C ATOM 1224 OE1 GLN A 297 -9.087 4.041 -8.226 1.00 3.89 O ATOM 1225 NE2 GLN A 297 -7.521 2.605 -7.524 1.00 3.77 N ATOM 1226 OXT GLN A 297 -11.419 0.544 -4.092 1.00 2.17 O ATOM 0 H GLN A 297 -9.095 1.861 -2.958 1.00 0.62 H new ATOM 0 HA GLN A 297 -11.071 3.788 -4.009 1.00 0.87 H new ATOM 0 HB2 GLN A 297 -9.599 1.593 -5.529 1.00 1.01 H new ATOM 0 HB3 GLN A 297 -10.845 2.630 -6.195 1.00 1.01 H new ATOM 0 HG2 GLN A 297 -9.368 4.612 -5.731 1.00 2.20 H new ATOM 0 HG3 GLN A 297 -8.111 3.507 -5.211 1.00 2.20 H new ATOM 0 HE21 GLN A 297 -7.080 2.125 -6.740 1.00 3.77 H new ATOM 0 HE22 GLN A 297 -7.188 2.442 -8.474 1.00 3.77 H new