USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 741 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 78 LYS NZ :NH3+ 151:sc= 1.06 (180deg=-0.928) USER MOD Set 1.2: A 79 ASN : amide:sc= 0.569 K(o=1.6,f=-8.4!) USER MOD Set 2.1: A 20 MET CE :methyl 174:sc= -1.07 (180deg=-1.22) USER MOD Set 2.2: A 29 THR OG1 : rot 57:sc= 0.704 USER MOD Set 2.3: A 31 HIS : no HE2:sc= 0.244 K(o=-0.13,f=-7.2!) USER MOD Single : A 14 GLN : amide:sc= -0.965 K(o=-0.96,f=-5.6!) USER MOD Single : A 15 GLN : amide:sc= -1.18! K(o=-1.2!,f=-0.022) USER MOD Single : A 19 TYR OH : rot 180:sc= 0.068 USER MOD Single : A 23 SER OG : rot -24:sc= 0.555 USER MOD Single : A 26 GLN : amide:sc= -0.793 K(o=-0.79,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot -170:sc= -1.17 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 37:sc= 0.149 USER MOD Single : A 43 SER OG : rot 140:sc= -1.04 USER MOD Single : A 67 ASN : amide:sc= -3.85! K(o=-3.9!,f=-0.17) USER MOD Single : A 68 THR OG1 : rot 64:sc= 0.144 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.87! K(o=-1.9!,f=-0.27) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.41! K(o=-1.4!,f=-0.0038) USER MOD Single : A 80 GLN : amide:sc= -4.23! K(o=-4.2!,f=-2.2) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0383 K(o=-0.038,f=-0.79) USER MOD Single : A 92 GLN : amide:sc= -0.953 K(o=-0.95,f=0) USER MOD Single : A 101 THR OG1 : rot 122:sc= 0.169 USER MOD Single : A 112 GLN : amide:sc= -5.03! C(o=-5!,f=-6!) USER MOD Single : A 113 SER OG : rot 80:sc= 0.977 USER MOD Single : A 118 THR OG1 : rot -76:sc= 0.0984 USER MOD ----------------------------------------------------------------- ATOM 112 N GLN A 14 0.826 12.508 -0.873 1.00 0.00 N ATOM 113 CA GLN A 14 1.355 11.615 0.146 1.00 0.00 C ATOM 114 C GLN A 14 2.379 10.650 -0.448 1.00 0.00 C ATOM 115 O GLN A 14 2.046 9.818 -1.293 1.00 0.00 O ATOM 116 CB GLN A 14 0.208 10.839 0.798 1.00 0.00 C ATOM 117 CG GLN A 14 0.657 9.626 1.595 1.00 0.00 C ATOM 118 CD GLN A 14 1.456 9.992 2.834 1.00 0.00 C ATOM 119 OE1 GLN A 14 2.148 11.009 2.868 1.00 0.00 O ATOM 120 NE2 GLN A 14 1.361 9.157 3.863 1.00 0.00 N ATOM 0 HA GLN A 14 1.860 12.214 0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.343 11.510 1.457 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.485 10.515 0.022 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.219 9.049 1.892 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.262 8.982 0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.775 8.325 3.792 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.874 9.348 4.724 1.00 0.00 H new ATOM 129 N GLN A 15 3.625 10.768 0.002 1.00 0.00 N ATOM 130 CA GLN A 15 4.700 9.905 -0.479 1.00 0.00 C ATOM 131 C GLN A 15 5.620 9.495 0.668 1.00 0.00 C ATOM 132 O GLN A 15 5.901 10.290 1.565 1.00 0.00 O ATOM 133 CB GLN A 15 5.513 10.615 -1.564 1.00 0.00 C ATOM 134 CG GLN A 15 4.701 10.979 -2.797 1.00 0.00 C ATOM 135 CD GLN A 15 5.545 11.618 -3.885 1.00 0.00 C ATOM 136 OE1 GLN A 15 5.063 12.451 -4.650 1.00 0.00 O ATOM 137 NE2 GLN A 15 6.812 11.226 -3.961 1.00 0.00 N ATOM 0 H GLN A 15 3.916 11.453 0.699 1.00 0.00 H new ATOM 0 HA GLN A 15 4.247 9.009 -0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.947 11.523 -1.145 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.342 9.974 -1.862 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.225 10.081 -3.192 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.903 11.664 -2.512 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.171 10.532 -3.306 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.426 11.619 -4.675 1.00 0.00 H new ATOM 146 N GLY A 16 6.084 8.250 0.632 1.00 0.00 N ATOM 147 CA GLY A 16 6.968 7.757 1.673 1.00 0.00 C ATOM 148 C GLY A 16 7.334 6.298 1.485 1.00 0.00 C ATOM 149 O GLY A 16 7.760 5.893 0.402 1.00 0.00 O ATOM 0 H GLY A 16 5.864 7.574 -0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.878 8.357 1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.488 7.885 2.643 1.00 0.00 H new ATOM 153 N GLU A 17 7.167 5.506 2.541 1.00 0.00 N ATOM 154 CA GLU A 17 7.488 4.083 2.487 1.00 0.00 C ATOM 155 C GLU A 17 6.382 3.248 3.125 1.00 0.00 C ATOM 156 O GLU A 17 5.578 3.755 3.907 1.00 0.00 O ATOM 157 CB GLU A 17 8.817 3.816 3.195 1.00 0.00 C ATOM 158 CG GLU A 17 9.975 4.628 2.638 1.00 0.00 C ATOM 159 CD GLU A 17 11.279 4.361 3.364 1.00 0.00 C ATOM 160 OE1 GLU A 17 11.482 4.939 4.452 1.00 0.00 O ATOM 161 OE2 GLU A 17 12.097 3.573 2.844 1.00 0.00 O ATOM 0 H GLU A 17 6.812 5.825 3.443 1.00 0.00 H new ATOM 0 HA GLU A 17 7.575 3.794 1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.705 4.038 4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.056 2.755 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.099 4.398 1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.736 5.689 2.707 1.00 0.00 H new ATOM 168 N LEU A 18 6.348 1.962 2.783 1.00 0.00 N ATOM 169 CA LEU A 18 5.342 1.050 3.319 1.00 0.00 C ATOM 170 C LEU A 18 5.780 -0.403 3.158 1.00 0.00 C ATOM 171 O LEU A 18 6.630 -0.716 2.324 1.00 0.00 O ATOM 172 CB LEU A 18 3.999 1.269 2.620 1.00 0.00 C ATOM 173 CG LEU A 18 2.929 1.963 3.467 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.662 2.173 2.654 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.628 1.154 4.720 1.00 0.00 C ATOM 0 H LEU A 18 7.007 1.528 2.136 1.00 0.00 H new ATOM 0 HA LEU A 18 5.230 1.261 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.168 1.861 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.613 0.302 2.297 1.00 0.00 H new ATOM 0 HG LEU A 18 3.312 2.937 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.912 2.667 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.885 2.794 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.279 1.208 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.865 1.664 5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.267 0.165 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.536 1.052 5.314 1.00 0.00 H new ATOM 187 N TYR A 19 5.193 -1.285 3.961 1.00 0.00 N ATOM 188 CA TYR A 19 5.517 -2.704 3.911 1.00 0.00 C ATOM 189 C TYR A 19 4.355 -3.499 3.326 1.00 0.00 C ATOM 190 O TYR A 19 3.198 -3.278 3.686 1.00 0.00 O ATOM 191 CB TYR A 19 5.847 -3.225 5.311 1.00 0.00 C ATOM 192 CG TYR A 19 6.978 -2.482 5.988 1.00 0.00 C ATOM 193 CD1 TYR A 19 6.796 -1.191 6.468 1.00 0.00 C ATOM 194 CD2 TYR A 19 8.223 -3.073 6.151 1.00 0.00 C ATOM 195 CE1 TYR A 19 7.825 -0.510 7.090 1.00 0.00 C ATOM 196 CE2 TYR A 19 9.258 -2.399 6.771 1.00 0.00 C ATOM 197 CZ TYR A 19 9.053 -1.117 7.239 1.00 0.00 C ATOM 198 OH TYR A 19 10.080 -0.443 7.859 1.00 0.00 O ATOM 0 H TYR A 19 4.488 -1.039 4.656 1.00 0.00 H new ATOM 0 HA TYR A 19 6.389 -2.831 3.269 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.955 -3.156 5.934 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.108 -4.281 5.243 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.835 -0.712 6.353 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.386 -4.077 5.787 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.667 0.493 7.458 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.221 -2.873 6.889 1.00 0.00 H new ATOM 0 HH TYR A 19 10.877 -1.012 7.883 1.00 0.00 H new ATOM 208 N MET A 20 4.668 -4.422 2.424 1.00 0.00 N ATOM 209 CA MET A 20 3.644 -5.248 1.794 1.00 0.00 C ATOM 210 C MET A 20 4.046 -6.718 1.820 1.00 0.00 C ATOM 211 O MET A 20 5.212 -7.057 1.608 1.00 0.00 O ATOM 212 CB MET A 20 3.397 -4.788 0.357 1.00 0.00 C ATOM 213 CG MET A 20 3.092 -3.302 0.243 1.00 0.00 C ATOM 214 SD MET A 20 4.557 -2.315 -0.118 1.00 0.00 S ATOM 215 CE MET A 20 4.982 -2.928 -1.747 1.00 0.00 C ATOM 0 H MET A 20 5.620 -4.617 2.113 1.00 0.00 H new ATOM 0 HA MET A 20 2.719 -5.136 2.359 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.275 -5.019 -0.247 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.565 -5.355 -0.060 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.352 -3.147 -0.542 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.646 -2.955 1.175 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.805 -2.341 -2.153 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.283 -3.973 -1.675 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.117 -2.843 -2.405 1.00 0.00 H new ATOM 225 N TRP A 21 3.074 -7.586 2.082 1.00 0.00 N ATOM 226 CA TRP A 21 3.321 -9.021 2.148 1.00 0.00 C ATOM 227 C TRP A 21 3.974 -9.539 0.874 1.00 0.00 C ATOM 228 O TRP A 21 3.334 -9.623 -0.175 1.00 0.00 O ATOM 229 CB TRP A 21 2.015 -9.779 2.400 1.00 0.00 C ATOM 230 CG TRP A 21 2.153 -11.269 2.276 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.458 -12.093 1.433 1.00 0.00 C ATOM 232 CD2 TRP A 21 3.048 -12.114 3.011 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.863 -13.395 1.606 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.833 -13.432 2.569 1.00 0.00 C ATOM 235 CE3 TRP A 21 4.008 -11.886 4.001 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.537 -14.512 3.082 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.709 -12.967 4.506 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.469 -14.263 4.046 1.00 0.00 C ATOM 0 H TRP A 21 2.105 -7.319 2.253 1.00 0.00 H new ATOM 0 HA TRP A 21 4.007 -9.193 2.977 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.651 -9.538 3.399 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.261 -9.432 1.694 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.702 -11.768 0.734 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.499 -14.202 1.099 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.199 -10.887 4.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.353 -15.516 2.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.455 -12.805 5.270 1.00 0.00 H new ATOM 0 HH2 TRP A 21 5.033 -15.085 4.462 1.00 0.00 H new ATOM 249 N ASP A 22 5.253 -9.885 0.972 1.00 0.00 N ATOM 250 CA ASP A 22 5.983 -10.421 -0.166 1.00 0.00 C ATOM 251 C ASP A 22 5.631 -11.892 -0.344 1.00 0.00 C ATOM 252 O ASP A 22 6.157 -12.752 0.363 1.00 0.00 O ATOM 253 CB ASP A 22 7.492 -10.256 0.037 1.00 0.00 C ATOM 254 CG ASP A 22 8.285 -10.573 -1.215 1.00 0.00 C ATOM 255 OD1 ASP A 22 8.080 -9.886 -2.238 1.00 0.00 O ATOM 256 OD2 ASP A 22 9.114 -11.506 -1.172 1.00 0.00 O ATOM 0 H ASP A 22 5.803 -9.803 1.827 1.00 0.00 H new ATOM 0 HA ASP A 22 5.699 -9.871 -1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.704 -9.233 0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.820 -10.909 0.846 1.00 0.00 H new ATOM 261 N SER A 23 4.723 -12.166 -1.279 1.00 0.00 N ATOM 262 CA SER A 23 4.268 -13.527 -1.542 1.00 0.00 C ATOM 263 C SER A 23 5.327 -14.353 -2.264 1.00 0.00 C ATOM 264 O SER A 23 5.105 -15.524 -2.571 1.00 0.00 O ATOM 265 CB SER A 23 2.981 -13.502 -2.368 1.00 0.00 C ATOM 266 OG SER A 23 1.949 -12.812 -1.685 1.00 0.00 O ATOM 0 H SER A 23 4.287 -11.458 -1.869 1.00 0.00 H new ATOM 0 HA SER A 23 4.077 -13.998 -0.578 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.171 -13.021 -3.328 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.662 -14.522 -2.580 1.00 0.00 H new ATOM 0 HG SER A 23 2.123 -12.835 -0.721 1.00 0.00 H new ATOM 272 N ILE A 24 6.473 -13.744 -2.539 1.00 0.00 N ATOM 273 CA ILE A 24 7.552 -14.446 -3.220 1.00 0.00 C ATOM 274 C ILE A 24 8.446 -15.158 -2.215 1.00 0.00 C ATOM 275 O ILE A 24 8.566 -16.383 -2.232 1.00 0.00 O ATOM 276 CB ILE A 24 8.405 -13.486 -4.074 1.00 0.00 C ATOM 277 CG1 ILE A 24 7.520 -12.740 -5.077 1.00 0.00 C ATOM 278 CG2 ILE A 24 9.505 -14.252 -4.794 1.00 0.00 C ATOM 279 CD1 ILE A 24 8.256 -11.677 -5.864 1.00 0.00 C ATOM 0 H ILE A 24 6.678 -12.773 -2.303 1.00 0.00 H new ATOM 0 HA ILE A 24 7.092 -15.180 -3.882 1.00 0.00 H new ATOM 0 HB ILE A 24 8.873 -12.754 -3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.087 -13.460 -5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.692 -12.275 -4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.098 -13.560 -5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.147 -14.741 -4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.059 -15.004 -5.445 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.566 -11.191 -6.554 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.666 -10.935 -5.179 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.067 -12.138 -6.427 1.00 0.00 H new ATOM 291 N ASP A 25 9.072 -14.381 -1.342 1.00 0.00 N ATOM 292 CA ASP A 25 9.948 -14.931 -0.317 1.00 0.00 C ATOM 293 C ASP A 25 9.175 -15.145 0.976 1.00 0.00 C ATOM 294 O ASP A 25 9.701 -15.698 1.943 1.00 0.00 O ATOM 295 CB ASP A 25 11.132 -13.996 -0.069 1.00 0.00 C ATOM 296 CG ASP A 25 12.101 -13.969 -1.234 1.00 0.00 C ATOM 297 OD1 ASP A 25 11.792 -13.305 -2.247 1.00 0.00 O ATOM 298 OD2 ASP A 25 13.168 -14.609 -1.135 1.00 0.00 O ATOM 0 H ASP A 25 8.989 -13.365 -1.323 1.00 0.00 H new ATOM 0 HA ASP A 25 10.327 -15.891 -0.666 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.762 -12.987 0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.659 -14.312 0.831 1.00 0.00 H new ATOM 303 N GLN A 26 7.920 -14.701 0.983 1.00 0.00 N ATOM 304 CA GLN A 26 7.068 -14.832 2.149 1.00 0.00 C ATOM 305 C GLN A 26 7.703 -14.150 3.350 1.00 0.00 C ATOM 306 O GLN A 26 8.198 -14.804 4.268 1.00 0.00 O ATOM 307 CB GLN A 26 6.773 -16.301 2.443 1.00 0.00 C ATOM 308 CG GLN A 26 5.496 -16.789 1.778 1.00 0.00 C ATOM 309 CD GLN A 26 5.695 -17.245 0.349 1.00 0.00 C ATOM 310 OE1 GLN A 26 6.758 -17.743 -0.020 1.00 0.00 O ATOM 311 NE2 GLN A 26 4.659 -17.067 -0.463 1.00 0.00 N ATOM 0 H GLN A 26 7.474 -14.246 0.186 1.00 0.00 H new ATOM 0 HA GLN A 26 6.119 -14.338 1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.610 -16.910 2.103 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.693 -16.442 3.521 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.085 -17.614 2.360 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.758 -15.987 1.796 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.799 -16.649 -0.108 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.724 -17.348 -1.441 1.00 0.00 H new ATOM 320 N LYS A 27 7.688 -12.821 3.323 1.00 0.00 N ATOM 321 CA LYS A 27 8.267 -12.025 4.400 1.00 0.00 C ATOM 322 C LYS A 27 7.928 -10.546 4.228 1.00 0.00 C ATOM 323 O LYS A 27 7.415 -10.134 3.188 1.00 0.00 O ATOM 324 CB LYS A 27 9.786 -12.209 4.429 1.00 0.00 C ATOM 325 CG LYS A 27 10.488 -11.676 3.189 1.00 0.00 C ATOM 326 CD LYS A 27 11.979 -11.972 3.223 1.00 0.00 C ATOM 327 CE LYS A 27 12.687 -11.403 2.004 1.00 0.00 C ATOM 328 NZ LYS A 27 14.146 -11.702 2.018 1.00 0.00 N ATOM 0 H LYS A 27 7.281 -12.272 2.566 1.00 0.00 H new ATOM 0 HA LYS A 27 7.843 -12.368 5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.188 -11.706 5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.013 -13.270 4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.047 -12.125 2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.331 -10.600 3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.415 -11.549 4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.136 -13.050 3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.241 -11.816 1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.538 -10.324 1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.592 -11.297 1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.577 -11.286 2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.289 -12.732 2.026 1.00 0.00 H new ATOM 342 N TRP A 28 8.217 -9.753 5.257 1.00 0.00 N ATOM 343 CA TRP A 28 7.948 -8.319 5.217 1.00 0.00 C ATOM 344 C TRP A 28 9.200 -7.542 4.826 1.00 0.00 C ATOM 345 O TRP A 28 10.284 -7.782 5.359 1.00 0.00 O ATOM 346 CB TRP A 28 7.436 -7.830 6.574 1.00 0.00 C ATOM 347 CG TRP A 28 6.020 -8.227 6.854 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.596 -9.238 7.669 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.838 -7.619 6.319 1.00 0.00 C ATOM 350 NE1 TRP A 28 4.223 -9.295 7.674 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.736 -8.314 6.852 1.00 0.00 C ATOM 352 CE3 TRP A 28 4.603 -6.554 5.441 1.00 0.00 C ATOM 353 CZ2 TRP A 28 2.422 -7.980 6.535 1.00 0.00 C ATOM 354 CZ3 TRP A 28 3.298 -6.226 5.130 1.00 0.00 C ATOM 355 CH2 TRP A 28 2.223 -6.936 5.675 1.00 0.00 C ATOM 0 H TRP A 28 8.637 -10.079 6.127 1.00 0.00 H new ATOM 0 HA TRP A 28 7.180 -8.143 4.464 1.00 0.00 H new ATOM 0 HB2 TRP A 28 8.079 -8.226 7.360 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.516 -6.744 6.614 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.245 -9.896 8.228 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.659 -9.960 8.204 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.426 -6.000 5.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.590 -8.526 6.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.104 -5.407 4.454 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.215 -6.654 5.411 1.00 0.00 H new ATOM 366 N THR A 29 9.043 -6.610 3.892 1.00 0.00 N ATOM 367 CA THR A 29 10.160 -5.796 3.427 1.00 0.00 C ATOM 368 C THR A 29 9.758 -4.329 3.309 1.00 0.00 C ATOM 369 O THR A 29 8.572 -4.001 3.285 1.00 0.00 O ATOM 370 CB THR A 29 10.685 -6.286 2.066 1.00 0.00 C ATOM 371 OG1 THR A 29 9.635 -6.254 1.095 1.00 0.00 O ATOM 372 CG2 THR A 29 11.232 -7.700 2.174 1.00 0.00 C ATOM 0 H THR A 29 8.152 -6.399 3.442 1.00 0.00 H new ATOM 0 HA THR A 29 10.953 -5.894 4.168 1.00 0.00 H new ATOM 0 HB THR A 29 11.491 -5.622 1.754 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.274 -5.345 1.033 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.597 -8.024 1.200 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.051 -7.719 2.893 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.441 -8.372 2.507 1.00 0.00 H new ATOM 380 N ARG A 30 10.754 -3.452 3.232 1.00 0.00 N ATOM 381 CA ARG A 30 10.508 -2.018 3.122 1.00 0.00 C ATOM 382 C ARG A 30 10.530 -1.564 1.664 1.00 0.00 C ATOM 383 O ARG A 30 11.467 -1.865 0.924 1.00 0.00 O ATOM 384 CB ARG A 30 11.553 -1.241 3.925 1.00 0.00 C ATOM 385 CG ARG A 30 11.410 0.268 3.820 1.00 0.00 C ATOM 386 CD ARG A 30 12.489 0.985 4.614 1.00 0.00 C ATOM 387 NE ARG A 30 12.397 0.701 6.045 1.00 0.00 N ATOM 388 CZ ARG A 30 13.174 1.270 6.961 1.00 0.00 C ATOM 389 NH1 ARG A 30 14.097 2.151 6.600 1.00 0.00 N ATOM 390 NH2 ARG A 30 13.027 0.957 8.242 1.00 0.00 N ATOM 0 H ARG A 30 11.741 -3.710 3.244 1.00 0.00 H new ATOM 0 HA ARG A 30 9.517 -1.815 3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.482 -1.531 4.973 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.547 -1.527 3.582 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.466 0.568 2.774 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.428 0.568 4.185 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.470 0.683 4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.405 2.060 4.452 1.00 0.00 H new ATOM 0 HE ARG A 30 11.697 0.028 6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.213 2.394 5.616 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.691 2.585 7.306 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.318 0.280 8.523 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.623 1.393 8.945 1.00 0.00 H new ATOM 404 N HIS A 31 9.490 -0.839 1.259 1.00 0.00 N ATOM 405 CA HIS A 31 9.390 -0.337 -0.109 1.00 0.00 C ATOM 406 C HIS A 31 9.129 1.165 -0.117 1.00 0.00 C ATOM 407 O HIS A 31 8.618 1.721 0.855 1.00 0.00 O ATOM 408 CB HIS A 31 8.260 -1.046 -0.861 1.00 0.00 C ATOM 409 CG HIS A 31 8.219 -2.527 -0.655 1.00 0.00 C ATOM 410 ND1 HIS A 31 8.618 -3.432 -1.616 1.00 0.00 N ATOM 411 CD2 HIS A 31 7.800 -3.262 0.401 1.00 0.00 C ATOM 412 CE1 HIS A 31 8.443 -4.660 -1.159 1.00 0.00 C ATOM 413 NE2 HIS A 31 7.948 -4.583 0.062 1.00 0.00 N ATOM 0 H HIS A 31 8.705 -0.586 1.859 1.00 0.00 H new ATOM 0 HA HIS A 31 10.339 -0.539 -0.606 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.307 -0.621 -0.547 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.364 -0.842 -1.927 1.00 0.00 H new ATOM 0 HD1 HIS A 31 8.990 -3.192 -2.535 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.420 -2.880 1.337 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.667 -5.571 -1.694 1.00 0.00 H new ATOM 422 N TYR A 32 9.482 1.818 -1.220 1.00 0.00 N ATOM 423 CA TYR A 32 9.265 3.254 -1.360 1.00 0.00 C ATOM 424 C TYR A 32 7.985 3.510 -2.149 1.00 0.00 C ATOM 425 O TYR A 32 7.972 3.422 -3.377 1.00 0.00 O ATOM 426 CB TYR A 32 10.456 3.915 -2.057 1.00 0.00 C ATOM 427 CG TYR A 32 10.346 5.420 -2.152 1.00 0.00 C ATOM 428 CD1 TYR A 32 10.743 6.232 -1.096 1.00 0.00 C ATOM 429 CD2 TYR A 32 9.845 6.030 -3.295 1.00 0.00 C ATOM 430 CE1 TYR A 32 10.644 7.608 -1.178 1.00 0.00 C ATOM 431 CE2 TYR A 32 9.744 7.406 -3.384 1.00 0.00 C ATOM 432 CZ TYR A 32 10.144 8.189 -2.324 1.00 0.00 C ATOM 433 OH TYR A 32 10.044 9.560 -2.409 1.00 0.00 O ATOM 0 H TYR A 32 9.919 1.376 -2.029 1.00 0.00 H new ATOM 0 HA TYR A 32 9.165 3.690 -0.366 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.368 3.660 -1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.553 3.502 -3.061 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.135 5.780 -0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.529 5.419 -4.128 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.957 8.225 -0.349 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.353 7.865 -4.280 1.00 0.00 H new ATOM 0 HH TYR A 32 9.674 9.807 -3.282 1.00 0.00 H new ATOM 443 N CYS A 33 6.908 3.819 -1.435 1.00 0.00 N ATOM 444 CA CYS A 33 5.617 4.065 -2.066 1.00 0.00 C ATOM 445 C CYS A 33 5.403 5.546 -2.359 1.00 0.00 C ATOM 446 O CYS A 33 6.093 6.408 -1.814 1.00 0.00 O ATOM 447 CB CYS A 33 4.490 3.546 -1.172 1.00 0.00 C ATOM 448 SG CYS A 33 4.546 1.763 -0.872 1.00 0.00 S ATOM 0 H CYS A 33 6.904 3.905 -0.419 1.00 0.00 H new ATOM 0 HA CYS A 33 5.607 3.532 -3.016 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.531 4.066 -0.215 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.533 3.797 -1.630 1.00 0.00 H new ATOM 0 HG CYS A 33 3.448 1.387 -0.286 1.00 0.00 H new ATOM 454 N ALA A 34 4.437 5.826 -3.229 1.00 0.00 N ATOM 455 CA ALA A 34 4.107 7.195 -3.611 1.00 0.00 C ATOM 456 C ALA A 34 2.799 7.232 -4.395 1.00 0.00 C ATOM 457 O ALA A 34 2.663 6.567 -5.422 1.00 0.00 O ATOM 458 CB ALA A 34 5.236 7.804 -4.429 1.00 0.00 C ATOM 0 H ALA A 34 3.865 5.116 -3.686 1.00 0.00 H new ATOM 0 HA ALA A 34 3.980 7.785 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.975 8.825 -4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.151 7.812 -3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.392 7.212 -5.331 1.00 0.00 H new ATOM 464 N ILE A 35 1.841 8.012 -3.907 1.00 0.00 N ATOM 465 CA ILE A 35 0.541 8.125 -4.562 1.00 0.00 C ATOM 466 C ILE A 35 0.541 9.233 -5.611 1.00 0.00 C ATOM 467 O ILE A 35 0.840 10.388 -5.310 1.00 0.00 O ATOM 468 CB ILE A 35 -0.579 8.394 -3.536 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.676 7.230 -2.545 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.911 8.610 -4.243 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.676 7.460 -1.431 1.00 0.00 C ATOM 0 H ILE A 35 1.939 8.575 -3.062 1.00 0.00 H new ATOM 0 HA ILE A 35 0.351 7.172 -5.056 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.337 9.302 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.951 6.325 -3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.307 7.054 -2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.689 8.798 -3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.833 9.466 -4.913 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.166 7.720 -4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.689 6.594 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.391 8.346 -0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.668 7.606 -1.857 1.00 0.00 H new ATOM 483 N ALA A 36 0.201 8.867 -6.843 1.00 0.00 N ATOM 484 CA ALA A 36 0.154 9.821 -7.944 1.00 0.00 C ATOM 485 C ALA A 36 -0.926 9.443 -8.953 1.00 0.00 C ATOM 486 O ALA A 36 -1.095 8.268 -9.284 1.00 0.00 O ATOM 487 CB ALA A 36 1.511 9.897 -8.629 1.00 0.00 C ATOM 0 H ALA A 36 -0.047 7.913 -7.104 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.094 10.800 -7.535 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.465 10.613 -9.450 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.264 10.218 -7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.777 8.915 -9.019 1.00 0.00 H new ATOM 493 N ASP A 37 -1.654 10.446 -9.437 1.00 0.00 N ATOM 494 CA ASP A 37 -2.718 10.226 -10.413 1.00 0.00 C ATOM 495 C ASP A 37 -3.774 9.264 -9.873 1.00 0.00 C ATOM 496 O ASP A 37 -4.213 8.352 -10.573 1.00 0.00 O ATOM 497 CB ASP A 37 -2.135 9.681 -11.720 1.00 0.00 C ATOM 498 CG ASP A 37 -1.131 10.630 -12.344 1.00 0.00 C ATOM 499 OD1 ASP A 37 -1.549 11.495 -13.143 1.00 0.00 O ATOM 500 OD2 ASP A 37 0.073 10.508 -12.035 1.00 0.00 O ATOM 0 H ASP A 37 -1.526 11.422 -9.168 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.198 11.185 -10.606 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.654 8.722 -11.528 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.944 9.496 -12.427 1.00 0.00 H new ATOM 505 N ALA A 38 -4.180 9.480 -8.623 1.00 0.00 N ATOM 506 CA ALA A 38 -5.188 8.640 -7.982 1.00 0.00 C ATOM 507 C ALA A 38 -4.727 7.189 -7.892 1.00 0.00 C ATOM 508 O ALA A 38 -5.530 6.290 -7.647 1.00 0.00 O ATOM 509 CB ALA A 38 -6.509 8.725 -8.731 1.00 0.00 C ATOM 0 H ALA A 38 -3.824 10.232 -8.033 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.332 9.012 -6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.248 8.093 -8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.860 9.757 -8.734 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.368 8.386 -9.757 1.00 0.00 H new ATOM 515 N LYS A 39 -3.433 6.965 -8.092 1.00 0.00 N ATOM 516 CA LYS A 39 -2.874 5.620 -8.029 1.00 0.00 C ATOM 517 C LYS A 39 -1.744 5.546 -7.009 1.00 0.00 C ATOM 518 O LYS A 39 -1.311 6.566 -6.475 1.00 0.00 O ATOM 519 CB LYS A 39 -2.367 5.189 -9.405 1.00 0.00 C ATOM 520 CG LYS A 39 -3.461 5.129 -10.456 1.00 0.00 C ATOM 521 CD LYS A 39 -2.919 4.686 -11.804 1.00 0.00 C ATOM 522 CE LYS A 39 -4.014 4.643 -12.857 1.00 0.00 C ATOM 523 NZ LYS A 39 -3.493 4.215 -14.185 1.00 0.00 N ATOM 0 H LYS A 39 -2.753 7.696 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.666 4.940 -7.714 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.594 5.884 -9.734 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.899 4.208 -9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.240 4.439 -10.132 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.925 6.110 -10.555 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.132 5.369 -12.123 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.465 3.700 -11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.798 3.957 -12.537 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.470 5.629 -12.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.271 4.199 -14.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.762 4.883 -14.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.081 3.263 -14.106 1.00 0.00 H new ATOM 537 N LEU A 40 -1.273 4.333 -6.740 1.00 0.00 N ATOM 538 CA LEU A 40 -0.190 4.129 -5.784 1.00 0.00 C ATOM 539 C LEU A 40 0.895 3.234 -6.378 1.00 0.00 C ATOM 540 O LEU A 40 0.648 2.071 -6.688 1.00 0.00 O ATOM 541 CB LEU A 40 -0.737 3.510 -4.496 1.00 0.00 C ATOM 542 CG LEU A 40 0.323 2.997 -3.518 1.00 0.00 C ATOM 543 CD1 LEU A 40 1.167 4.149 -2.992 1.00 0.00 C ATOM 544 CD2 LEU A 40 -0.329 2.243 -2.369 1.00 0.00 C ATOM 0 H LEU A 40 -1.624 3.477 -7.170 1.00 0.00 H new ATOM 0 HA LEU A 40 0.253 5.098 -5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.349 4.254 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.395 2.682 -4.761 1.00 0.00 H new ATOM 0 HG LEU A 40 0.977 2.308 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.915 3.765 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.665 4.645 -3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.526 4.863 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.441 1.886 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.008 2.908 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.887 1.393 -2.762 1.00 0.00 H new ATOM 556 N SER A 41 2.097 3.783 -6.523 1.00 0.00 N ATOM 557 CA SER A 41 3.215 3.034 -7.086 1.00 0.00 C ATOM 558 C SER A 41 4.214 2.635 -6.006 1.00 0.00 C ATOM 559 O SER A 41 4.700 3.480 -5.253 1.00 0.00 O ATOM 560 CB SER A 41 3.922 3.862 -8.161 1.00 0.00 C ATOM 561 OG SER A 41 4.331 5.120 -7.650 1.00 0.00 O ATOM 0 H SER A 41 2.322 4.742 -6.259 1.00 0.00 H new ATOM 0 HA SER A 41 2.813 2.126 -7.535 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.790 3.317 -8.532 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.253 4.010 -9.009 1.00 0.00 H new ATOM 0 HG SER A 41 4.632 5.014 -6.723 1.00 0.00 H new ATOM 567 N PHE A 42 4.518 1.342 -5.937 1.00 0.00 N ATOM 568 CA PHE A 42 5.471 0.836 -4.955 1.00 0.00 C ATOM 569 C PHE A 42 6.745 0.352 -5.643 1.00 0.00 C ATOM 570 O PHE A 42 6.689 -0.357 -6.648 1.00 0.00 O ATOM 571 CB PHE A 42 4.849 -0.293 -4.128 1.00 0.00 C ATOM 572 CG PHE A 42 4.347 -1.449 -4.945 1.00 0.00 C ATOM 573 CD1 PHE A 42 3.055 -1.452 -5.446 1.00 0.00 C ATOM 574 CD2 PHE A 42 5.165 -2.538 -5.206 1.00 0.00 C ATOM 575 CE1 PHE A 42 2.589 -2.517 -6.193 1.00 0.00 C ATOM 576 CE2 PHE A 42 4.704 -3.606 -5.953 1.00 0.00 C ATOM 577 CZ PHE A 42 3.414 -3.595 -6.445 1.00 0.00 C ATOM 0 H PHE A 42 4.120 0.628 -6.547 1.00 0.00 H new ATOM 0 HA PHE A 42 5.731 1.653 -4.281 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.590 -0.659 -3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.022 0.112 -3.545 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.405 -0.612 -5.250 1.00 0.00 H new ATOM 0 HD2 PHE A 42 6.174 -2.552 -4.821 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.581 -2.506 -6.579 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.352 -4.447 -6.151 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.050 -4.429 -7.027 1.00 0.00 H new ATOM 587 N SER A 43 7.891 0.747 -5.099 1.00 0.00 N ATOM 588 CA SER A 43 9.180 0.361 -5.665 1.00 0.00 C ATOM 589 C SER A 43 9.657 -0.972 -5.099 1.00 0.00 C ATOM 590 O SER A 43 9.008 -1.561 -4.234 1.00 0.00 O ATOM 591 CB SER A 43 10.224 1.441 -5.385 1.00 0.00 C ATOM 592 OG SER A 43 10.483 1.551 -3.997 1.00 0.00 O ATOM 0 H SER A 43 7.954 1.334 -4.267 1.00 0.00 H new ATOM 0 HA SER A 43 9.051 0.250 -6.742 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.148 1.204 -5.913 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.874 2.399 -5.770 1.00 0.00 H new ATOM 0 HG SER A 43 11.443 1.685 -3.853 1.00 0.00 H new ATOM 598 N ASP A 44 10.797 -1.440 -5.599 1.00 0.00 N ATOM 599 CA ASP A 44 11.375 -2.700 -5.147 1.00 0.00 C ATOM 600 C ASP A 44 12.228 -2.485 -3.901 1.00 0.00 C ATOM 601 O ASP A 44 12.561 -1.350 -3.558 1.00 0.00 O ATOM 602 CB ASP A 44 12.224 -3.324 -6.257 1.00 0.00 C ATOM 603 CG ASP A 44 13.380 -2.435 -6.671 1.00 0.00 C ATOM 604 OD1 ASP A 44 13.191 -1.599 -7.580 1.00 0.00 O ATOM 605 OD2 ASP A 44 14.474 -2.574 -6.085 1.00 0.00 O ATOM 0 H ASP A 44 11.340 -0.963 -6.319 1.00 0.00 H new ATOM 0 HA ASP A 44 10.559 -3.379 -4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.612 -4.284 -5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.594 -3.523 -7.124 1.00 0.00 H new ATOM 610 N ASP A 45 12.569 -3.580 -3.225 1.00 0.00 N ATOM 611 CA ASP A 45 13.384 -3.519 -2.014 1.00 0.00 C ATOM 612 C ASP A 45 14.550 -2.547 -2.183 1.00 0.00 C ATOM 613 O ASP A 45 15.422 -2.749 -3.028 1.00 0.00 O ATOM 614 CB ASP A 45 13.918 -4.910 -1.669 1.00 0.00 C ATOM 615 CG ASP A 45 12.815 -5.945 -1.568 1.00 0.00 C ATOM 616 OD1 ASP A 45 12.417 -6.493 -2.617 1.00 0.00 O ATOM 617 OD2 ASP A 45 12.349 -6.207 -0.441 1.00 0.00 O ATOM 0 H ASP A 45 12.292 -4.523 -3.497 1.00 0.00 H new ATOM 0 HA ASP A 45 12.752 -3.161 -1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.634 -5.220 -2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.457 -4.865 -0.723 1.00 0.00 H new ATOM 622 N ILE A 46 14.556 -1.491 -1.374 1.00 0.00 N ATOM 623 CA ILE A 46 15.613 -0.488 -1.435 1.00 0.00 C ATOM 624 C ILE A 46 16.818 -0.903 -0.595 1.00 0.00 C ATOM 625 O ILE A 46 17.963 -0.646 -0.967 1.00 0.00 O ATOM 626 CB ILE A 46 15.112 0.888 -0.952 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.568 0.789 0.477 1.00 0.00 C ATOM 628 CG2 ILE A 46 14.045 1.422 -1.897 1.00 0.00 C ATOM 629 CD1 ILE A 46 14.185 2.125 1.075 1.00 0.00 C ATOM 0 H ILE A 46 13.841 -1.309 -0.670 1.00 0.00 H new ATOM 0 HA ILE A 46 15.913 -0.410 -2.480 1.00 0.00 H new ATOM 0 HB ILE A 46 15.951 1.584 -0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.695 0.136 0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.320 0.319 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.700 2.394 -1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.465 1.527 -2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.205 0.728 -1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.809 1.976 2.087 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.060 2.774 1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.410 2.588 0.464 1.00 0.00 H new ATOM 641 N GLU A 47 16.550 -1.547 0.537 1.00 0.00 N ATOM 642 CA GLU A 47 17.611 -2.001 1.429 1.00 0.00 C ATOM 643 C GLU A 47 17.626 -3.523 1.518 1.00 0.00 C ATOM 644 O GLU A 47 18.667 -4.130 1.771 1.00 0.00 O ATOM 645 CB GLU A 47 17.429 -1.395 2.822 1.00 0.00 C ATOM 646 CG GLU A 47 16.061 -1.664 3.428 1.00 0.00 C ATOM 647 CD GLU A 47 15.923 -1.098 4.828 1.00 0.00 C ATOM 648 OE1 GLU A 47 15.565 0.091 4.957 1.00 0.00 O ATOM 649 OE2 GLU A 47 16.176 -1.846 5.797 1.00 0.00 O ATOM 0 H GLU A 47 15.607 -1.766 0.858 1.00 0.00 H new ATOM 0 HA GLU A 47 18.566 -1.669 1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.196 -1.794 3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.586 -0.318 2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.292 -1.231 2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.885 -2.739 3.456 1.00 0.00 H new ATOM 841 N ARG A 61 7.615 -1.056 -9.510 1.00 0.00 N ATOM 842 CA ARG A 61 7.424 -2.501 -9.461 1.00 0.00 C ATOM 843 C ARG A 61 5.954 -2.851 -9.658 1.00 0.00 C ATOM 844 O ARG A 61 5.611 -3.976 -10.023 1.00 0.00 O ATOM 845 CB ARG A 61 7.922 -3.054 -8.121 1.00 0.00 C ATOM 846 CG ARG A 61 7.831 -4.569 -8.005 1.00 0.00 C ATOM 847 CD ARG A 61 8.905 -5.265 -8.827 1.00 0.00 C ATOM 848 NE ARG A 61 8.688 -5.111 -10.264 1.00 0.00 N ATOM 849 CZ ARG A 61 9.534 -5.554 -11.189 1.00 0.00 C ATOM 850 NH1 ARG A 61 10.649 -6.175 -10.830 1.00 0.00 N ATOM 851 NH2 ARG A 61 9.265 -5.376 -12.475 1.00 0.00 N ATOM 0 HA ARG A 61 8.001 -2.955 -10.267 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.959 -2.750 -7.977 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.343 -2.603 -7.315 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.929 -4.860 -6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.847 -4.900 -8.337 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.882 -4.859 -8.563 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.922 -6.325 -8.576 1.00 0.00 H new ATOM 0 HE ARG A 61 7.840 -4.637 -10.575 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.860 -6.314 -9.842 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.296 -6.514 -11.542 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.408 -4.899 -12.756 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.915 -5.716 -13.184 1.00 0.00 H new ATOM 865 N GLY A 62 5.089 -1.871 -9.415 1.00 0.00 N ATOM 866 CA GLY A 62 3.662 -2.075 -9.565 1.00 0.00 C ATOM 867 C GLY A 62 2.865 -0.874 -9.098 1.00 0.00 C ATOM 868 O GLY A 62 3.342 -0.090 -8.278 1.00 0.00 O ATOM 0 H GLY A 62 5.355 -0.933 -9.115 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.433 -2.278 -10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.360 -2.954 -8.996 1.00 0.00 H new ATOM 872 N ILE A 63 1.650 -0.725 -9.616 1.00 0.00 N ATOM 873 CA ILE A 63 0.799 0.396 -9.242 1.00 0.00 C ATOM 874 C ILE A 63 -0.649 -0.037 -9.044 1.00 0.00 C ATOM 875 O ILE A 63 -1.167 -0.870 -9.787 1.00 0.00 O ATOM 876 CB ILE A 63 0.830 1.512 -10.306 1.00 0.00 C ATOM 877 CG1 ILE A 63 2.272 1.910 -10.629 1.00 0.00 C ATOM 878 CG2 ILE A 63 0.038 2.719 -9.824 1.00 0.00 C ATOM 879 CD1 ILE A 63 2.383 3.027 -11.646 1.00 0.00 C ATOM 0 H ILE A 63 1.235 -1.365 -10.293 1.00 0.00 H new ATOM 0 HA ILE A 63 1.197 0.776 -8.301 1.00 0.00 H new ATOM 0 HB ILE A 63 0.369 1.134 -11.219 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.769 2.218 -9.709 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.806 1.036 -11.003 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.067 3.500 -10.584 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.996 2.427 -9.643 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.475 3.096 -8.899 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.434 3.254 -11.824 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.916 2.716 -12.580 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.879 3.916 -11.267 1.00 0.00 H new ATOM 891 N LEU A 64 -1.295 0.538 -8.034 1.00 0.00 N ATOM 892 CA LEU A 64 -2.691 0.235 -7.746 1.00 0.00 C ATOM 893 C LEU A 64 -3.587 1.332 -8.308 1.00 0.00 C ATOM 894 O LEU A 64 -3.565 2.466 -7.829 1.00 0.00 O ATOM 895 CB LEU A 64 -2.926 0.101 -6.235 1.00 0.00 C ATOM 896 CG LEU A 64 -2.315 -1.139 -5.571 1.00 0.00 C ATOM 897 CD1 LEU A 64 -2.813 -2.410 -6.244 1.00 0.00 C ATOM 898 CD2 LEU A 64 -0.795 -1.076 -5.601 1.00 0.00 C ATOM 0 H LEU A 64 -0.872 1.217 -7.401 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.936 -0.716 -8.219 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.525 0.988 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.001 0.095 -6.053 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.633 -1.156 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.367 -3.278 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.898 -2.465 -6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.530 -2.399 -7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.384 -1.966 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.453 -1.028 -6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.457 -0.189 -5.065 1.00 0.00 H new ATOM 910 N ASP A 65 -4.364 0.994 -9.331 1.00 0.00 N ATOM 911 CA ASP A 65 -5.266 1.956 -9.957 1.00 0.00 C ATOM 912 C ASP A 65 -6.138 2.648 -8.913 1.00 0.00 C ATOM 913 O ASP A 65 -6.580 3.780 -9.112 1.00 0.00 O ATOM 914 CB ASP A 65 -6.149 1.259 -10.993 1.00 0.00 C ATOM 915 CG ASP A 65 -5.341 0.605 -12.096 1.00 0.00 C ATOM 916 OD1 ASP A 65 -4.964 -0.575 -11.938 1.00 0.00 O ATOM 917 OD2 ASP A 65 -5.084 1.274 -13.120 1.00 0.00 O ATOM 0 H ASP A 65 -4.388 0.062 -9.745 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.659 2.712 -10.455 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.759 0.504 -10.497 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.834 1.986 -11.430 1.00 0.00 H new ATOM 922 N LEU A 66 -6.381 1.957 -7.800 1.00 0.00 N ATOM 923 CA LEU A 66 -7.202 2.493 -6.717 1.00 0.00 C ATOM 924 C LEU A 66 -8.621 2.795 -7.194 1.00 0.00 C ATOM 925 O LEU A 66 -9.433 3.343 -6.450 1.00 0.00 O ATOM 926 CB LEU A 66 -6.563 3.754 -6.130 1.00 0.00 C ATOM 927 CG LEU A 66 -5.255 3.521 -5.368 1.00 0.00 C ATOM 928 CD1 LEU A 66 -4.632 4.847 -4.960 1.00 0.00 C ATOM 929 CD2 LEU A 66 -5.495 2.646 -4.147 1.00 0.00 C ATOM 0 H LEU A 66 -6.018 1.020 -7.625 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.260 1.732 -5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.374 4.458 -6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.279 4.227 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.560 3.003 -6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.704 4.662 -4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.422 5.439 -5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.324 5.391 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.554 2.492 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.208 3.135 -3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.896 1.683 -4.463 1.00 0.00 H new ATOM 941 N ASN A 67 -8.910 2.438 -8.441 1.00 0.00 N ATOM 942 CA ASN A 67 -10.233 2.655 -9.012 1.00 0.00 C ATOM 943 C ASN A 67 -11.006 1.343 -9.072 1.00 0.00 C ATOM 944 O ASN A 67 -12.199 1.324 -9.376 1.00 0.00 O ATOM 945 CB ASN A 67 -10.121 3.260 -10.414 1.00 0.00 C ATOM 946 CG ASN A 67 -9.716 4.723 -10.392 1.00 0.00 C ATOM 947 OD1 ASN A 67 -10.102 5.496 -11.270 1.00 0.00 O ATOM 948 ND2 ASN A 67 -8.936 5.112 -9.391 1.00 0.00 N ATOM 0 H ASN A 67 -8.245 1.997 -9.076 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.772 3.354 -8.372 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.390 2.694 -10.992 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.078 3.160 -10.926 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.634 6.084 -9.328 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.639 4.439 -8.685 1.00 0.00 H new ATOM 955 N THR A 68 -10.313 0.245 -8.778 1.00 0.00 N ATOM 956 CA THR A 68 -10.926 -1.078 -8.796 1.00 0.00 C ATOM 957 C THR A 68 -10.401 -1.947 -7.655 1.00 0.00 C ATOM 958 O THR A 68 -9.863 -3.029 -7.885 1.00 0.00 O ATOM 959 CB THR A 68 -10.672 -1.798 -10.134 1.00 0.00 C ATOM 960 OG1 THR A 68 -9.263 -1.887 -10.383 1.00 0.00 O ATOM 961 CG2 THR A 68 -11.350 -1.067 -11.283 1.00 0.00 C ATOM 0 H THR A 68 -9.325 0.247 -8.524 1.00 0.00 H new ATOM 0 HA THR A 68 -11.998 -0.929 -8.670 1.00 0.00 H new ATOM 0 HB THR A 68 -11.093 -2.801 -10.066 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.845 -2.449 -9.698 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.155 -1.596 -12.216 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.425 -1.028 -11.106 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.957 -0.053 -11.352 1.00 0.00 H new ATOM 969 N TYR A 69 -10.556 -1.463 -6.427 1.00 0.00 N ATOM 970 CA TYR A 69 -10.105 -2.198 -5.247 1.00 0.00 C ATOM 971 C TYR A 69 -10.972 -1.865 -4.036 1.00 0.00 C ATOM 972 O TYR A 69 -11.806 -0.960 -4.084 1.00 0.00 O ATOM 973 CB TYR A 69 -8.644 -1.868 -4.921 1.00 0.00 C ATOM 974 CG TYR A 69 -7.631 -2.713 -5.659 1.00 0.00 C ATOM 975 CD1 TYR A 69 -7.130 -2.319 -6.893 1.00 0.00 C ATOM 976 CD2 TYR A 69 -7.168 -3.902 -5.112 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.198 -3.090 -7.562 1.00 0.00 C ATOM 978 CE2 TYR A 69 -6.237 -4.678 -5.773 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.755 -4.268 -6.998 1.00 0.00 C ATOM 980 OH TYR A 69 -4.827 -5.038 -7.661 1.00 0.00 O ATOM 0 H TYR A 69 -10.991 -0.564 -6.221 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.192 -3.261 -5.473 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.461 -0.819 -5.153 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.488 -1.989 -3.849 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.474 -1.396 -7.337 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.543 -4.226 -4.152 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.819 -2.771 -8.522 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.888 -5.601 -5.333 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.621 -5.834 -7.127 1.00 0.00 H new ATOM 990 N ASN A 70 -10.766 -2.607 -2.952 1.00 0.00 N ATOM 991 CA ASN A 70 -11.509 -2.389 -1.714 1.00 0.00 C ATOM 992 C ASN A 70 -10.572 -2.474 -0.514 1.00 0.00 C ATOM 993 O ASN A 70 -9.797 -3.420 -0.388 1.00 0.00 O ATOM 994 CB ASN A 70 -12.634 -3.415 -1.569 1.00 0.00 C ATOM 995 CG ASN A 70 -13.705 -3.258 -2.629 1.00 0.00 C ATOM 996 OD1 ASN A 70 -14.644 -2.477 -2.469 1.00 0.00 O ATOM 997 ND2 ASN A 70 -13.577 -4.009 -3.715 1.00 0.00 N ATOM 0 H ASN A 70 -10.088 -3.368 -2.906 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.950 -1.393 -1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.215 -4.419 -1.627 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.087 -3.315 -0.583 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.273 -3.953 -4.459 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.783 -4.643 -3.806 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.650 -1.487 0.371 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.796 -1.463 1.553 1.00 0.00 C ATOM 1006 C VAL A 71 -10.517 -2.047 2.762 1.00 0.00 C ATOM 1007 O VAL A 71 -11.679 -1.733 3.018 1.00 0.00 O ATOM 1008 CB VAL A 71 -9.338 -0.030 1.887 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.336 -0.044 3.031 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.742 0.647 0.662 1.00 0.00 C ATOM 0 H VAL A 71 -11.291 -0.698 0.294 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.922 -2.072 1.324 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.211 0.543 2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.023 0.976 3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.799 -0.482 3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.466 -0.636 2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.426 1.657 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.881 0.076 0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.491 0.694 -0.129 1.00 0.00 H new ATOM 1020 N VAL A 72 -9.816 -2.900 3.503 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.382 -3.531 4.689 1.00 0.00 C ATOM 1022 C VAL A 72 -9.370 -3.548 5.829 1.00 0.00 C ATOM 1023 O VAL A 72 -8.283 -4.114 5.701 1.00 0.00 O ATOM 1024 CB VAL A 72 -10.849 -4.972 4.398 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.281 -4.976 3.887 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -9.919 -5.654 3.405 1.00 0.00 C ATOM 0 H VAL A 72 -8.853 -3.170 3.302 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.248 -2.938 4.983 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.816 -5.536 5.330 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.593 -6.001 3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.937 -4.537 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.341 -4.393 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.269 -6.669 3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.910 -5.093 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.910 -5.689 3.816 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.735 -2.924 6.944 1.00 0.00 N ATOM 1037 CA LYS A 73 -8.859 -2.856 8.105 1.00 0.00 C ATOM 1038 C LYS A 73 -8.802 -4.189 8.843 1.00 0.00 C ATOM 1039 O LYS A 73 -9.739 -4.558 9.551 1.00 0.00 O ATOM 1040 CB LYS A 73 -9.335 -1.759 9.062 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.510 -1.658 10.338 1.00 0.00 C ATOM 1042 CD LYS A 73 -9.156 -0.725 11.352 1.00 0.00 C ATOM 1043 CE LYS A 73 -9.202 0.709 10.849 1.00 0.00 C ATOM 1044 NZ LYS A 73 -9.841 1.623 11.835 1.00 0.00 N ATOM 0 H LYS A 73 -10.634 -2.458 7.067 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.856 -2.621 7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.306 -0.800 8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.376 -1.947 9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.395 -2.649 10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.510 -1.298 10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.168 -1.067 11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.600 -0.764 12.288 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.189 1.053 10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.753 0.747 9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.853 2.591 11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.816 1.311 12.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.301 1.607 12.724 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.698 -4.908 8.670 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.511 -6.188 9.341 1.00 0.00 C ATOM 1060 C ALA A 74 -7.152 -5.966 10.811 1.00 0.00 C ATOM 1061 O ALA A 74 -6.139 -5.330 11.115 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.428 -7.000 8.646 1.00 0.00 C ATOM 0 H ALA A 74 -6.921 -4.626 8.072 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.445 -6.747 9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.301 -7.953 9.160 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.717 -7.182 7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.488 -6.448 8.668 1.00 0.00 H new ATOM 1068 N PRO A 75 -7.971 -6.492 11.745 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.746 -6.335 13.183 1.00 0.00 C ATOM 1070 C PRO A 75 -6.665 -7.269 13.716 1.00 0.00 C ATOM 1071 O PRO A 75 -5.573 -6.829 14.074 1.00 0.00 O ATOM 1072 CB PRO A 75 -9.105 -6.684 13.811 1.00 0.00 C ATOM 1073 CG PRO A 75 -10.041 -6.929 12.669 1.00 0.00 C ATOM 1074 CD PRO A 75 -9.185 -7.271 11.485 1.00 0.00 C ATOM 0 HA PRO A 75 -7.397 -5.330 13.421 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -9.026 -7.567 14.446 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.464 -5.870 14.441 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.729 -7.743 12.899 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.647 -6.046 12.468 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.978 -8.340 11.427 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.658 -6.986 10.545 1.00 0.00 H new ATOM 1082 N GLN A 76 -6.979 -8.560 13.769 1.00 0.00 N ATOM 1083 CA GLN A 76 -6.039 -9.559 14.264 1.00 0.00 C ATOM 1084 C GLN A 76 -4.758 -9.559 13.438 1.00 0.00 C ATOM 1085 O GLN A 76 -3.742 -10.121 13.850 1.00 0.00 O ATOM 1086 CB GLN A 76 -6.678 -10.947 14.233 1.00 0.00 C ATOM 1087 CG GLN A 76 -7.992 -11.025 14.992 1.00 0.00 C ATOM 1088 CD GLN A 76 -8.559 -12.431 15.043 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -9.775 -12.621 15.087 1.00 0.00 O ATOM 1090 NE2 GLN A 76 -7.679 -13.427 15.042 1.00 0.00 N ATOM 0 H GLN A 76 -7.879 -8.939 13.475 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.785 -9.304 15.293 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.848 -11.237 13.196 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.980 -11.670 14.655 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.841 -10.662 16.009 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.718 -10.362 14.521 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.680 -13.225 15.005 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.003 -14.394 15.079 1.00 0.00 H new ATOM 1099 N GLY A 77 -4.814 -8.927 12.273 1.00 0.00 N ATOM 1100 CA GLY A 77 -3.654 -8.868 11.405 1.00 0.00 C ATOM 1101 C GLY A 77 -3.371 -10.196 10.736 1.00 0.00 C ATOM 1102 O GLY A 77 -3.846 -11.239 11.188 1.00 0.00 O ATOM 0 H GLY A 77 -5.643 -8.454 11.913 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.812 -8.105 10.642 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.783 -8.563 11.986 1.00 0.00 H new ATOM 1106 N LYS A 78 -2.598 -10.163 9.657 1.00 0.00 N ATOM 1107 CA LYS A 78 -2.259 -11.377 8.928 1.00 0.00 C ATOM 1108 C LYS A 78 -0.757 -11.632 8.972 1.00 0.00 C ATOM 1109 O LYS A 78 0.021 -10.747 9.326 1.00 0.00 O ATOM 1110 CB LYS A 78 -2.732 -11.275 7.477 1.00 0.00 C ATOM 1111 CG LYS A 78 -2.967 -12.624 6.817 1.00 0.00 C ATOM 1112 CD LYS A 78 -3.452 -12.471 5.389 1.00 0.00 C ATOM 1113 CE LYS A 78 -2.298 -12.517 4.405 1.00 0.00 C ATOM 1114 NZ LYS A 78 -1.558 -13.807 4.477 1.00 0.00 N ATOM 0 H LYS A 78 -2.195 -9.310 9.269 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.766 -12.215 9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.656 -10.698 7.445 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.991 -10.722 6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.042 -13.201 6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.701 -13.188 7.392 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.162 -13.265 5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.985 -11.526 5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.677 -12.372 3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.613 -11.694 4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.142 -14.021 3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.801 -13.734 5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.213 -14.568 4.747 1.00 0.00 H new ATOM 1128 N ASN A 79 -0.358 -12.849 8.610 1.00 0.00 N ATOM 1129 CA ASN A 79 1.051 -13.230 8.604 1.00 0.00 C ATOM 1130 C ASN A 79 1.647 -13.168 10.008 1.00 0.00 C ATOM 1131 O ASN A 79 1.578 -14.138 10.761 1.00 0.00 O ATOM 1132 CB ASN A 79 1.843 -12.332 7.649 1.00 0.00 C ATOM 1133 CG ASN A 79 1.307 -12.379 6.233 1.00 0.00 C ATOM 1134 OD1 ASN A 79 0.824 -13.413 5.773 1.00 0.00 O ATOM 1135 ND2 ASN A 79 1.385 -11.253 5.533 1.00 0.00 N ATOM 0 H ASN A 79 -0.994 -13.590 8.316 1.00 0.00 H new ATOM 0 HA ASN A 79 1.118 -14.261 8.255 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.813 -11.305 8.012 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.889 -12.639 7.649 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.037 -11.223 4.575 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.793 -10.418 5.954 1.00 0.00 H new ATOM 1142 N GLN A 80 2.232 -12.023 10.355 1.00 0.00 N ATOM 1143 CA GLN A 80 2.843 -11.846 11.667 1.00 0.00 C ATOM 1144 C GLN A 80 2.640 -10.422 12.175 1.00 0.00 C ATOM 1145 O GLN A 80 3.227 -10.020 13.179 1.00 0.00 O ATOM 1146 CB GLN A 80 4.340 -12.161 11.605 1.00 0.00 C ATOM 1147 CG GLN A 80 4.660 -13.524 11.010 1.00 0.00 C ATOM 1148 CD GLN A 80 4.660 -13.521 9.492 1.00 0.00 C ATOM 1149 OE1 GLN A 80 4.336 -14.526 8.859 1.00 0.00 O ATOM 1150 NE2 GLN A 80 5.029 -12.391 8.900 1.00 0.00 N ATOM 0 H GLN A 80 2.295 -11.207 9.746 1.00 0.00 H new ATOM 0 HA GLN A 80 2.359 -12.536 12.358 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.839 -11.392 11.015 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.754 -12.109 12.612 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.636 -13.851 11.368 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.930 -14.251 11.367 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.290 -11.582 9.463 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.052 -12.332 7.882 1.00 0.00 H new ATOM 1159 N LYS A 81 1.802 -9.665 11.474 1.00 0.00 N ATOM 1160 CA LYS A 81 1.524 -8.283 11.845 1.00 0.00 C ATOM 1161 C LYS A 81 0.226 -8.167 12.638 1.00 0.00 C ATOM 1162 O LYS A 81 -0.510 -9.141 12.795 1.00 0.00 O ATOM 1163 CB LYS A 81 1.435 -7.416 10.591 1.00 0.00 C ATOM 1164 CG LYS A 81 2.745 -7.307 9.837 1.00 0.00 C ATOM 1165 CD LYS A 81 3.756 -6.463 10.591 1.00 0.00 C ATOM 1166 CE LYS A 81 5.094 -6.444 9.877 1.00 0.00 C ATOM 1167 NZ LYS A 81 6.048 -5.489 10.506 1.00 0.00 N ATOM 0 H LYS A 81 1.303 -9.987 10.644 1.00 0.00 H new ATOM 0 HA LYS A 81 2.341 -7.937 12.477 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.676 -7.829 9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.103 -6.417 10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.154 -8.304 9.671 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.565 -6.869 8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.380 -5.445 10.693 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.884 -6.858 11.599 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.524 -7.445 9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.944 -6.171 8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.950 -5.507 9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.650 -4.529 10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.212 -5.763 11.496 1.00 0.00 H new ATOM 1181 N SER A 82 -0.044 -6.963 13.136 1.00 0.00 N ATOM 1182 CA SER A 82 -1.256 -6.699 13.902 1.00 0.00 C ATOM 1183 C SER A 82 -2.169 -5.754 13.129 1.00 0.00 C ATOM 1184 O SER A 82 -3.297 -6.105 12.783 1.00 0.00 O ATOM 1185 CB SER A 82 -0.907 -6.096 15.264 1.00 0.00 C ATOM 1186 OG SER A 82 -0.088 -6.973 16.016 1.00 0.00 O ATOM 0 H SER A 82 0.564 -6.152 13.021 1.00 0.00 H new ATOM 0 HA SER A 82 -1.778 -7.642 14.063 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.393 -5.145 15.123 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.822 -5.885 15.817 1.00 0.00 H new ATOM 0 HG SER A 82 0.122 -6.563 16.881 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.670 -4.551 12.861 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.427 -3.555 12.113 1.00 0.00 C ATOM 1194 C PHE A 83 -2.196 -3.748 10.618 1.00 0.00 C ATOM 1195 O PHE A 83 -1.186 -3.299 10.077 1.00 0.00 O ATOM 1196 CB PHE A 83 -2.007 -2.143 12.525 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.831 -1.962 14.007 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -2.838 -2.313 14.891 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.652 -1.438 14.513 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.672 -2.145 16.253 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.480 -1.266 15.873 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.492 -1.621 16.744 1.00 0.00 C ATOM 0 H PHE A 83 -0.742 -4.243 13.152 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.487 -3.682 12.335 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.071 -1.894 12.026 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.756 -1.435 12.170 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.763 -2.722 14.512 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.142 -1.161 13.836 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.464 -2.423 16.932 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.443 -0.855 16.254 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.361 -1.489 17.808 1.00 0.00 H new ATOM 1212 N VAL A 84 -3.130 -4.422 9.953 1.00 0.00 N ATOM 1213 CA VAL A 84 -3.000 -4.686 8.524 1.00 0.00 C ATOM 1214 C VAL A 84 -4.215 -4.189 7.746 1.00 0.00 C ATOM 1215 O VAL A 84 -5.307 -4.066 8.292 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.817 -6.198 8.260 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.751 -6.496 6.768 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.572 -6.715 8.962 1.00 0.00 C ATOM 0 H VAL A 84 -3.980 -4.793 10.378 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.119 -4.144 8.181 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.687 -6.715 8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.622 -7.568 6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.675 -6.171 6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.908 -5.963 6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.459 -7.781 8.765 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.697 -6.183 8.590 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.666 -6.552 10.036 1.00 0.00 H new ATOM 1228 N PHE A 85 -3.999 -3.886 6.469 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.063 -3.429 5.581 1.00 0.00 C ATOM 1230 C PHE A 85 -4.963 -4.175 4.255 1.00 0.00 C ATOM 1231 O PHE A 85 -3.951 -4.084 3.559 1.00 0.00 O ATOM 1232 CB PHE A 85 -4.972 -1.923 5.340 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.560 -1.087 6.441 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -4.956 -1.026 7.687 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -6.716 -0.355 6.224 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.495 -0.250 8.694 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.258 0.424 7.228 1.00 0.00 C ATOM 1238 CZ PHE A 85 -6.646 0.476 8.465 1.00 0.00 C ATOM 0 H PHE A 85 -3.084 -3.950 6.022 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.024 -3.635 6.052 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.925 -1.650 5.211 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.481 -1.684 4.406 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.055 -1.591 7.872 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.199 -0.394 5.259 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.016 -0.211 9.661 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.159 0.991 7.046 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.068 1.084 9.252 1.00 0.00 H new ATOM 1248 N ILE A 86 -6.011 -4.909 3.909 1.00 0.00 N ATOM 1249 CA ILE A 86 -6.015 -5.692 2.681 1.00 0.00 C ATOM 1250 C ILE A 86 -6.773 -5.003 1.551 1.00 0.00 C ATOM 1251 O ILE A 86 -7.828 -4.408 1.763 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.649 -7.075 2.917 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -5.979 -7.777 4.098 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -6.551 -7.928 1.661 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -6.756 -8.972 4.607 1.00 0.00 C ATOM 0 H ILE A 86 -6.867 -4.979 4.459 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.971 -5.797 2.386 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.703 -6.935 3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.982 -8.101 3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.852 -7.062 4.911 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.004 -8.902 1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.075 -7.433 0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.503 -8.061 1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.224 -9.422 5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.744 -8.650 4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.861 -9.705 3.807 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.213 -5.085 0.349 1.00 0.00 N ATOM 1268 CA LEU A 87 -6.842 -4.517 -0.834 1.00 0.00 C ATOM 1269 C LEU A 87 -7.508 -5.631 -1.631 1.00 0.00 C ATOM 1270 O LEU A 87 -6.888 -6.655 -1.916 1.00 0.00 O ATOM 1271 CB LEU A 87 -5.819 -3.788 -1.712 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.361 -2.424 -1.191 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.368 -1.794 -2.157 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.553 -1.503 -0.981 1.00 0.00 C ATOM 0 H LEU A 87 -5.319 -5.543 0.170 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.588 -3.789 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.943 -4.427 -1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.248 -3.653 -2.705 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.867 -2.571 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.052 -0.824 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.499 -2.444 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.841 -1.662 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.207 -0.538 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.075 -1.362 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.233 -1.948 -0.254 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.767 -5.428 -1.989 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.514 -6.431 -2.734 1.00 0.00 C ATOM 1288 C GLU A 88 -9.875 -5.913 -4.123 1.00 0.00 C ATOM 1289 O GLU A 88 -10.748 -5.057 -4.264 1.00 0.00 O ATOM 1290 CB GLU A 88 -10.776 -6.827 -1.966 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.495 -7.377 -0.576 1.00 0.00 C ATOM 1292 CD GLU A 88 -11.760 -7.749 0.171 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.313 -6.876 0.873 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.199 -8.912 0.054 1.00 0.00 O ATOM 0 H GLU A 88 -9.292 -4.580 -1.776 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.885 -7.313 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.426 -5.957 -1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.321 -7.576 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.855 -8.256 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.943 -6.634 -0.000 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.209 -6.431 -5.171 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.456 -6.005 -6.553 1.00 0.00 C ATOM 1303 C PRO A 89 -10.906 -6.195 -6.977 1.00 0.00 C ATOM 1304 O PRO A 89 -11.612 -7.060 -6.457 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.534 -6.903 -7.386 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.182 -8.040 -6.490 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.175 -7.477 -5.100 1.00 0.00 C ATOM 0 HA PRO A 89 -9.262 -4.940 -6.681 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.036 -7.253 -8.288 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.643 -6.363 -7.706 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.907 -8.849 -6.581 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.208 -8.455 -6.749 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.416 -8.235 -4.355 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.201 -7.067 -4.834 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.339 -5.377 -7.929 1.00 0.00 N ATOM 1316 CA LYS A 90 -12.701 -5.442 -8.441 1.00 0.00 C ATOM 1317 C LYS A 90 -12.691 -5.718 -9.938 1.00 0.00 C ATOM 1318 O LYS A 90 -13.745 -5.803 -10.570 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.436 -4.131 -8.161 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.378 -3.698 -6.705 1.00 0.00 C ATOM 1321 CD LYS A 90 -14.079 -2.366 -6.486 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.575 -2.469 -6.740 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.265 -1.167 -6.523 1.00 0.00 N ATOM 0 H LYS A 90 -10.762 -4.657 -8.364 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.221 -6.255 -7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.008 -3.344 -8.782 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.479 -4.239 -8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.842 -4.461 -6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.337 -3.618 -6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.906 -2.027 -5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.648 -1.615 -7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.748 -2.806 -7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.005 -3.222 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.283 -1.279 -6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.122 -0.858 -5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.873 -0.454 -7.171 1.00 0.00 H new ATOM 1337 N GLN A 91 -11.493 -5.857 -10.501 1.00 0.00 N ATOM 1338 CA GLN A 91 -11.350 -6.117 -11.930 1.00 0.00 C ATOM 1339 C GLN A 91 -12.026 -7.428 -12.314 1.00 0.00 C ATOM 1340 O GLN A 91 -12.979 -7.445 -13.093 1.00 0.00 O ATOM 1341 CB GLN A 91 -9.872 -6.162 -12.322 1.00 0.00 C ATOM 1342 CG GLN A 91 -9.038 -5.064 -11.682 1.00 0.00 C ATOM 1343 CD GLN A 91 -7.600 -5.067 -12.162 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -7.312 -5.456 -13.294 1.00 0.00 O ATOM 1345 NE2 GLN A 91 -6.687 -4.633 -11.301 1.00 0.00 N ATOM 0 H GLN A 91 -10.611 -5.794 -9.992 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.836 -5.303 -12.469 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.460 -7.131 -12.040 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.790 -6.084 -13.406 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.488 -4.096 -11.902 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -9.056 -5.185 -10.599 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -6.970 -4.320 -10.372 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.703 -4.613 -11.568 1.00 0.00 H new ATOM 1354 N GLN A 92 -11.523 -8.525 -11.760 1.00 0.00 N ATOM 1355 CA GLN A 92 -12.070 -9.847 -12.037 1.00 0.00 C ATOM 1356 C GLN A 92 -11.663 -10.846 -10.957 1.00 0.00 C ATOM 1357 O GLN A 92 -12.366 -11.020 -9.962 1.00 0.00 O ATOM 1358 CB GLN A 92 -11.607 -10.339 -13.411 1.00 0.00 C ATOM 1359 CG GLN A 92 -10.257 -9.785 -13.840 1.00 0.00 C ATOM 1360 CD GLN A 92 -9.802 -10.322 -15.184 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -8.605 -10.462 -15.435 1.00 0.00 O ATOM 1362 NE2 GLN A 92 -10.756 -10.624 -16.058 1.00 0.00 N ATOM 0 H GLN A 92 -10.734 -8.524 -11.114 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.157 -9.768 -12.037 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.555 -11.428 -13.398 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.355 -10.065 -14.155 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.314 -8.698 -13.889 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -9.511 -10.031 -13.084 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.736 -10.493 -15.809 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.508 -10.987 -16.978 1.00 0.00 H new ATOM 1371 N GLY A 93 -10.523 -11.499 -11.161 1.00 0.00 N ATOM 1372 CA GLY A 93 -10.036 -12.467 -10.196 1.00 0.00 C ATOM 1373 C GLY A 93 -8.636 -12.139 -9.722 1.00 0.00 C ATOM 1374 O GLY A 93 -7.915 -13.013 -9.239 1.00 0.00 O ATOM 0 H GLY A 93 -9.927 -11.374 -11.979 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.711 -12.497 -9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.044 -13.461 -10.644 1.00 0.00 H new ATOM 1378 N ASP A 94 -8.253 -10.873 -9.863 1.00 0.00 N ATOM 1379 CA ASP A 94 -6.929 -10.418 -9.450 1.00 0.00 C ATOM 1380 C ASP A 94 -6.651 -10.801 -7.996 1.00 0.00 C ATOM 1381 O ASP A 94 -7.579 -11.035 -7.221 1.00 0.00 O ATOM 1382 CB ASP A 94 -6.811 -8.902 -9.621 1.00 0.00 C ATOM 1383 CG ASP A 94 -7.831 -8.346 -10.592 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -9.002 -8.180 -10.191 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -7.460 -8.077 -11.753 1.00 0.00 O ATOM 0 H ASP A 94 -8.843 -10.142 -10.261 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.190 -10.907 -10.084 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.937 -8.420 -8.652 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.809 -8.656 -9.972 1.00 0.00 H new ATOM 1390 N PRO A 95 -5.366 -10.870 -7.607 1.00 0.00 N ATOM 1391 CA PRO A 95 -4.965 -11.233 -6.249 1.00 0.00 C ATOM 1392 C PRO A 95 -4.939 -10.035 -5.297 1.00 0.00 C ATOM 1393 O PRO A 95 -4.565 -8.931 -5.693 1.00 0.00 O ATOM 1394 CB PRO A 95 -3.556 -11.773 -6.459 1.00 0.00 C ATOM 1395 CG PRO A 95 -3.018 -10.969 -7.595 1.00 0.00 C ATOM 1396 CD PRO A 95 -4.194 -10.606 -8.466 1.00 0.00 C ATOM 0 HA PRO A 95 -5.658 -11.936 -5.787 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.947 -11.653 -5.563 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.569 -12.837 -6.696 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.515 -10.073 -7.231 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.281 -11.541 -8.159 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.154 -9.562 -8.777 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.220 -11.209 -9.374 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.337 -10.238 -4.025 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.346 -9.173 -3.016 1.00 0.00 C ATOM 1406 C PRO A 96 -3.935 -8.779 -2.590 1.00 0.00 C ATOM 1407 O PRO A 96 -2.967 -9.469 -2.909 1.00 0.00 O ATOM 1408 CB PRO A 96 -6.104 -9.790 -1.830 1.00 0.00 C ATOM 1409 CG PRO A 96 -6.704 -11.057 -2.346 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.817 -11.509 -3.468 1.00 0.00 C ATOM 0 HA PRO A 96 -5.805 -8.261 -3.397 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.431 -9.987 -0.996 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.875 -9.113 -1.464 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.756 -11.812 -1.561 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.723 -10.892 -2.697 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.996 -12.131 -3.111 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.364 -12.095 -4.207 1.00 0.00 H new ATOM 1418 N VAL A 97 -3.822 -7.666 -1.870 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.524 -7.187 -1.401 1.00 0.00 C ATOM 1420 C VAL A 97 -2.598 -6.732 0.054 1.00 0.00 C ATOM 1421 O VAL A 97 -3.442 -5.913 0.415 1.00 0.00 O ATOM 1422 CB VAL A 97 -2.006 -6.021 -2.268 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.597 -5.628 -1.850 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -2.049 -6.388 -3.743 1.00 0.00 C ATOM 0 H VAL A 97 -4.611 -7.080 -1.599 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.831 -8.024 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.659 -5.162 -2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.249 -4.804 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.601 -5.316 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.070 -6.482 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.680 -5.552 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.423 -7.263 -3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.076 -6.613 -4.032 1.00 0.00 H new ATOM 1434 N GLU A 98 -1.707 -7.267 0.886 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.676 -6.921 2.303 1.00 0.00 C ATOM 1436 C GLU A 98 -0.662 -5.815 2.580 1.00 0.00 C ATOM 1437 O GLU A 98 0.414 -5.779 1.984 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.331 -8.151 3.144 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.435 -9.194 3.193 1.00 0.00 C ATOM 1440 CD GLU A 98 -2.762 -9.769 1.829 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -2.086 -10.734 1.414 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -3.694 -9.256 1.175 1.00 0.00 O ATOM 0 H GLU A 98 -0.997 -7.942 0.602 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.667 -6.560 2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.428 -8.611 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.102 -7.831 4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.136 -10.002 3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.333 -8.746 3.618 1.00 0.00 H new ATOM 1449 N PHE A 99 -1.017 -4.916 3.493 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.139 -3.811 3.870 1.00 0.00 C ATOM 1451 C PHE A 99 -0.035 -3.705 5.389 1.00 0.00 C ATOM 1452 O PHE A 99 -0.989 -4.006 6.104 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.665 -2.491 3.304 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.784 -2.460 1.809 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.848 -3.075 1.172 1.00 0.00 C ATOM 1456 CD2 PHE A 99 0.165 -1.805 1.041 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -1.965 -3.038 -0.203 1.00 0.00 C ATOM 1458 CE2 PHE A 99 0.054 -1.766 -0.336 1.00 0.00 C ATOM 1459 CZ PHE A 99 -1.013 -2.383 -0.959 1.00 0.00 C ATOM 0 H PHE A 99 -1.909 -4.931 3.987 1.00 0.00 H new ATOM 0 HA PHE A 99 0.850 -4.010 3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.644 -2.288 3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.003 -1.685 3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.595 -3.590 1.758 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.000 -1.320 1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.801 -3.521 -0.687 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.801 -1.254 -0.924 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.103 -2.353 -2.035 1.00 0.00 H new ATOM 1469 N ALA A 100 1.125 -3.273 5.879 1.00 0.00 N ATOM 1470 CA ALA A 100 1.332 -3.131 7.318 1.00 0.00 C ATOM 1471 C ALA A 100 2.300 -1.997 7.641 1.00 0.00 C ATOM 1472 O ALA A 100 3.183 -1.673 6.847 1.00 0.00 O ATOM 1473 CB ALA A 100 1.837 -4.437 7.910 1.00 0.00 C ATOM 0 H ALA A 100 1.929 -3.017 5.306 1.00 0.00 H new ATOM 0 HA ALA A 100 0.370 -2.883 7.766 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.987 -4.316 8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.105 -5.224 7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.782 -4.708 7.440 1.00 0.00 H new ATOM 1479 N THR A 101 2.122 -1.398 8.816 1.00 0.00 N ATOM 1480 CA THR A 101 2.978 -0.304 9.264 1.00 0.00 C ATOM 1481 C THR A 101 3.654 -0.651 10.586 1.00 0.00 C ATOM 1482 O THR A 101 3.599 -1.795 11.039 1.00 0.00 O ATOM 1483 CB THR A 101 2.181 1.003 9.438 1.00 0.00 C ATOM 1484 OG1 THR A 101 1.054 0.780 10.295 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.707 1.537 8.095 1.00 0.00 C ATOM 0 H THR A 101 1.389 -1.654 9.477 1.00 0.00 H new ATOM 0 HA THR A 101 3.734 -0.156 8.493 1.00 0.00 H new ATOM 0 HB THR A 101 2.840 1.744 9.890 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.106 1.382 11.067 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.147 2.460 8.247 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.569 1.736 7.458 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.065 0.798 7.616 1.00 0.00 H new ATOM 1493 N ASP A 102 4.290 0.342 11.200 1.00 0.00 N ATOM 1494 CA ASP A 102 4.973 0.139 12.473 1.00 0.00 C ATOM 1495 C ASP A 102 4.485 1.139 13.517 1.00 0.00 C ATOM 1496 O ASP A 102 4.974 1.159 14.647 1.00 0.00 O ATOM 1497 CB ASP A 102 6.486 0.272 12.292 1.00 0.00 C ATOM 1498 CG ASP A 102 7.046 -0.759 11.332 1.00 0.00 C ATOM 1499 OD1 ASP A 102 7.101 -0.471 10.118 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.429 -1.855 11.793 1.00 0.00 O ATOM 0 H ASP A 102 4.347 1.294 10.837 1.00 0.00 H new ATOM 0 HA ASP A 102 4.743 -0.867 12.823 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.719 1.271 11.924 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.976 0.167 13.260 1.00 0.00 H new ATOM 1505 N ARG A 103 3.517 1.965 13.132 1.00 0.00 N ATOM 1506 CA ARG A 103 2.962 2.970 14.032 1.00 0.00 C ATOM 1507 C ARG A 103 1.471 3.163 13.778 1.00 0.00 C ATOM 1508 O ARG A 103 0.954 2.779 12.727 1.00 0.00 O ATOM 1509 CB ARG A 103 3.692 4.304 13.861 1.00 0.00 C ATOM 1510 CG ARG A 103 5.180 4.229 14.156 1.00 0.00 C ATOM 1511 CD ARG A 103 5.831 5.601 14.085 1.00 0.00 C ATOM 1512 NE ARG A 103 5.299 6.511 15.095 1.00 0.00 N ATOM 1513 CZ ARG A 103 5.826 7.702 15.365 1.00 0.00 C ATOM 1514 NH1 ARG A 103 6.893 8.125 14.703 1.00 0.00 N ATOM 1515 NH2 ARG A 103 5.283 8.471 16.299 1.00 0.00 N ATOM 0 H ARG A 103 3.100 1.958 12.201 1.00 0.00 H new ATOM 0 HA ARG A 103 3.099 2.617 15.054 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.551 4.657 12.839 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.237 5.044 14.520 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.335 3.802 15.147 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.660 3.560 13.442 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.908 5.499 14.220 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.673 6.027 13.094 1.00 0.00 H new ATOM 0 HE ARG A 103 4.477 6.217 15.623 1.00 0.00 H new ATOM 0 HH11 ARG A 103 7.313 7.537 13.983 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.294 9.039 14.913 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.461 8.149 16.810 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.687 9.384 16.506 1.00 0.00 H new ATOM 1529 N VAL A 104 0.785 3.761 14.746 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.646 4.010 14.630 1.00 0.00 C ATOM 1531 C VAL A 104 -0.926 5.219 13.743 1.00 0.00 C ATOM 1532 O VAL A 104 -1.936 5.266 13.040 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.292 4.236 16.010 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -1.258 2.956 16.831 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -0.598 5.371 16.748 1.00 0.00 C ATOM 0 H VAL A 104 1.199 4.083 15.621 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.084 3.122 14.175 1.00 0.00 H new ATOM 0 HB VAL A 104 -2.334 4.517 15.860 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.719 3.135 17.803 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.807 2.173 16.308 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.224 2.642 16.972 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.069 5.515 17.720 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.454 5.124 16.888 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.681 6.288 16.165 1.00 0.00 H new ATOM 1545 N GLU A 105 -0.024 6.197 13.781 1.00 0.00 N ATOM 1546 CA GLU A 105 -0.174 7.407 12.980 1.00 0.00 C ATOM 1547 C GLU A 105 0.047 7.109 11.501 1.00 0.00 C ATOM 1548 O GLU A 105 -0.771 7.476 10.656 1.00 0.00 O ATOM 1549 CB GLU A 105 0.810 8.481 13.449 1.00 0.00 C ATOM 1550 CG GLU A 105 0.613 8.895 14.898 1.00 0.00 C ATOM 1551 CD GLU A 105 1.595 9.962 15.338 1.00 0.00 C ATOM 1552 OE1 GLU A 105 1.278 11.161 15.186 1.00 0.00 O ATOM 1553 OE2 GLU A 105 2.683 9.600 15.835 1.00 0.00 O ATOM 0 H GLU A 105 0.817 6.174 14.358 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.191 7.776 13.111 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.827 8.111 13.321 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.707 9.359 12.812 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.404 9.265 15.031 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.721 8.021 15.540 1.00 0.00 H new ATOM 1560 N GLU A 106 1.156 6.444 11.193 1.00 0.00 N ATOM 1561 CA GLU A 106 1.480 6.092 9.815 1.00 0.00 C ATOM 1562 C GLU A 106 0.387 5.211 9.221 1.00 0.00 C ATOM 1563 O GLU A 106 0.156 5.217 8.013 1.00 0.00 O ATOM 1564 CB GLU A 106 2.821 5.358 9.752 1.00 0.00 C ATOM 1565 CG GLU A 106 3.943 6.070 10.489 1.00 0.00 C ATOM 1566 CD GLU A 106 4.249 7.437 9.910 1.00 0.00 C ATOM 1567 OE1 GLU A 106 5.099 7.519 8.999 1.00 0.00 O ATOM 1568 OE2 GLU A 106 3.637 8.425 10.367 1.00 0.00 O ATOM 0 H GLU A 106 1.846 6.138 11.879 1.00 0.00 H new ATOM 0 HA GLU A 106 1.551 7.013 9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.699 4.360 10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.107 5.232 8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.671 6.177 11.539 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.843 5.455 10.454 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.280 4.454 10.086 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.348 3.560 9.658 1.00 0.00 C ATOM 1577 C LEU A 107 -2.552 4.349 9.160 1.00 0.00 C ATOM 1578 O LEU A 107 -2.994 4.177 8.027 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.778 2.659 10.819 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.764 1.552 10.442 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -2.024 0.251 10.195 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -3.811 1.368 11.529 1.00 0.00 C ATOM 0 H LEU A 107 -0.099 4.442 11.090 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.967 2.948 8.841 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.889 2.202 11.254 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.229 3.279 11.594 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.274 1.845 9.524 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.738 -0.528 9.928 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.312 0.386 9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.490 -0.041 11.099 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.501 0.576 11.239 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.321 1.098 12.464 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.363 2.298 11.664 1.00 0.00 H new ATOM 1594 N PHE A 108 -3.069 5.223 10.015 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.231 6.030 9.673 1.00 0.00 C ATOM 1596 C PHE A 108 -3.916 7.024 8.561 1.00 0.00 C ATOM 1597 O PHE A 108 -4.796 7.411 7.807 1.00 0.00 O ATOM 1598 CB PHE A 108 -4.739 6.778 10.906 1.00 0.00 C ATOM 1599 CG PHE A 108 -6.223 6.670 11.103 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -6.779 5.532 11.666 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -7.064 7.705 10.727 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -8.145 5.429 11.850 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -8.430 7.608 10.907 1.00 0.00 C ATOM 1604 CZ PHE A 108 -8.971 6.468 11.470 1.00 0.00 C ATOM 0 H PHE A 108 -2.700 5.390 10.951 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.006 5.354 9.313 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -4.234 6.390 11.790 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.468 7.830 10.820 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.137 4.716 11.964 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.646 8.599 10.288 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.566 4.537 12.290 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.074 8.422 10.608 1.00 0.00 H new ATOM 0 HZ PHE A 108 -10.039 6.390 11.613 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.661 7.434 8.458 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.264 8.399 7.437 1.00 0.00 C ATOM 1616 C GLU A 109 -2.256 7.778 6.038 1.00 0.00 C ATOM 1617 O GLU A 109 -2.962 8.237 5.136 1.00 0.00 O ATOM 1618 CB GLU A 109 -0.878 8.959 7.765 1.00 0.00 C ATOM 1619 CG GLU A 109 -0.363 9.962 6.745 1.00 0.00 C ATOM 1620 CD GLU A 109 -1.229 11.203 6.657 1.00 0.00 C ATOM 1621 OE1 GLU A 109 -0.963 12.168 7.403 1.00 0.00 O ATOM 1622 OE2 GLU A 109 -2.175 11.210 5.840 1.00 0.00 O ATOM 0 H GLU A 109 -1.903 7.118 9.063 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.998 9.204 7.437 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.912 9.436 8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.171 8.133 7.837 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.654 10.252 7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.316 9.486 5.765 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.470 6.723 5.875 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.340 6.048 4.588 1.00 0.00 C ATOM 1631 C TRP A 110 -2.613 5.314 4.174 1.00 0.00 C ATOM 1632 O TRP A 110 -3.060 5.428 3.033 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.179 5.054 4.638 1.00 0.00 C ATOM 1634 CG TRP A 110 1.124 5.633 4.182 1.00 0.00 C ATOM 1635 CD1 TRP A 110 2.104 6.168 4.965 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.587 5.735 2.832 1.00 0.00 C ATOM 1637 NE1 TRP A 110 3.152 6.595 4.185 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.857 6.339 2.871 1.00 0.00 C ATOM 1639 CE3 TRP A 110 1.052 5.371 1.592 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.598 6.587 1.721 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.790 5.618 0.450 1.00 0.00 C ATOM 1642 CH2 TRP A 110 3.051 6.221 0.522 1.00 0.00 C ATOM 0 H TRP A 110 -0.909 6.313 6.622 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.151 6.821 3.843 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.068 4.689 5.659 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.422 4.192 4.016 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.063 6.245 6.041 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.008 7.031 4.527 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.080 4.905 1.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.571 7.052 1.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.387 5.341 -0.513 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.604 6.401 -0.388 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.193 4.567 5.103 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.389 3.783 4.813 1.00 0.00 C ATOM 1655 C PHE A 111 -5.630 4.647 4.603 1.00 0.00 C ATOM 1656 O PHE A 111 -6.519 4.274 3.839 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.594 2.737 5.905 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.534 1.676 5.847 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.284 1.009 4.658 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -2.769 1.366 6.957 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.298 0.050 4.580 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -1.777 0.405 6.883 1.00 0.00 C ATOM 1663 CZ PHE A 111 -1.543 -0.253 5.693 1.00 0.00 C ATOM 0 H PHE A 111 -2.857 4.486 6.063 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.233 3.272 3.863 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.576 3.220 6.882 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.577 2.279 5.794 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.870 1.244 3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.948 1.879 7.890 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.117 -0.464 3.648 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.186 0.170 7.756 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.769 -1.004 5.634 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.704 5.795 5.270 1.00 0.00 N ATOM 1674 CA GLN A 112 -6.849 6.683 5.086 1.00 0.00 C ATOM 1675 C GLN A 112 -6.784 7.298 3.695 1.00 0.00 C ATOM 1676 O GLN A 112 -7.810 7.555 3.067 1.00 0.00 O ATOM 1677 CB GLN A 112 -6.874 7.774 6.158 1.00 0.00 C ATOM 1678 CG GLN A 112 -8.188 8.533 6.249 1.00 0.00 C ATOM 1679 CD GLN A 112 -8.379 9.534 5.126 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -9.506 9.813 4.716 1.00 0.00 O ATOM 1681 NE2 GLN A 112 -7.279 10.085 4.624 1.00 0.00 N ATOM 0 H GLN A 112 -5.001 6.128 5.930 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.768 6.105 5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.662 7.320 7.126 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -6.071 8.483 5.956 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -9.013 7.821 6.236 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.233 9.056 7.204 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -6.364 9.825 4.993 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -7.349 10.768 3.869 1.00 0.00 H new ATOM 1690 N SER A 113 -5.559 7.530 3.218 1.00 0.00 N ATOM 1691 CA SER A 113 -5.349 8.089 1.888 1.00 0.00 C ATOM 1692 C SER A 113 -5.764 7.076 0.824 1.00 0.00 C ATOM 1693 O SER A 113 -6.440 7.424 -0.144 1.00 0.00 O ATOM 1694 CB SER A 113 -3.883 8.482 1.699 1.00 0.00 C ATOM 1695 OG SER A 113 -3.492 9.465 2.641 1.00 0.00 O ATOM 0 H SER A 113 -4.701 7.338 3.735 1.00 0.00 H new ATOM 0 HA SER A 113 -5.963 8.983 1.784 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.251 7.601 1.805 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.733 8.862 0.689 1.00 0.00 H new ATOM 0 HG SER A 113 -3.295 9.035 3.500 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.349 5.822 1.006 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.708 4.766 0.068 1.00 0.00 C ATOM 1703 C ILE A 114 -7.224 4.643 -0.004 1.00 0.00 C ATOM 1704 O ILE A 114 -7.793 4.366 -1.060 1.00 0.00 O ATOM 1705 CB ILE A 114 -5.100 3.402 0.470 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.568 3.462 0.417 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.626 2.297 -0.440 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.888 2.154 0.778 1.00 0.00 C ATOM 0 H ILE A 114 -4.769 5.518 1.788 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.303 5.037 -0.907 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.399 3.176 1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.260 3.755 -0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.221 4.240 1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.189 1.343 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.711 2.241 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.354 2.516 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.807 2.277 0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.164 1.868 1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.204 1.376 0.083 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.871 4.858 1.139 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.323 4.798 1.228 1.00 0.00 C ATOM 1722 C ARG A 115 -9.940 6.057 0.629 1.00 0.00 C ATOM 1723 O ARG A 115 -11.063 6.039 0.130 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.758 4.648 2.688 1.00 0.00 C ATOM 1725 CG ARG A 115 -9.482 3.273 3.272 1.00 0.00 C ATOM 1726 CD ARG A 115 -10.039 3.147 4.680 1.00 0.00 C ATOM 1727 NE ARG A 115 -9.833 1.813 5.235 1.00 0.00 N ATOM 1728 CZ ARG A 115 -10.613 1.274 6.169 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -11.643 1.956 6.651 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -10.362 0.053 6.619 1.00 0.00 N ATOM 0 H ARG A 115 -7.407 5.077 2.020 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.670 3.932 0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.244 5.398 3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.825 4.857 2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.926 2.509 2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.407 3.091 3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.562 3.885 5.325 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.105 3.374 4.669 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.047 1.263 4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -11.839 2.896 6.306 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -12.239 1.541 7.367 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -9.571 -0.474 6.250 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -10.960 -0.360 7.335 1.00 0.00 H new ATOM 1744 N GLU A 116 -9.187 7.150 0.683 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.644 8.429 0.153 1.00 0.00 C ATOM 1746 C GLU A 116 -9.855 8.358 -1.356 1.00 0.00 C ATOM 1747 O GLU A 116 -10.549 9.193 -1.934 1.00 0.00 O ATOM 1748 CB GLU A 116 -8.635 9.525 0.492 1.00 0.00 C ATOM 1749 CG GLU A 116 -8.931 10.232 1.802 1.00 0.00 C ATOM 1750 CD GLU A 116 -10.285 10.915 1.806 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -10.355 12.096 1.406 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -11.274 10.269 2.210 1.00 0.00 O ATOM 0 H GLU A 116 -8.252 7.175 1.091 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.602 8.666 0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.638 9.088 0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.622 10.259 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.891 9.509 2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.155 10.973 1.994 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.253 7.356 -1.988 1.00 0.00 N ATOM 1760 CA ILE A 117 -9.373 7.179 -3.431 1.00 0.00 C ATOM 1761 C ILE A 117 -10.252 5.978 -3.774 1.00 0.00 C ATOM 1762 O ILE A 117 -10.943 5.975 -4.793 1.00 0.00 O ATOM 1763 CB ILE A 117 -7.987 7.003 -4.084 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -7.113 8.227 -3.799 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -8.126 6.780 -5.584 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -5.662 8.044 -4.186 1.00 0.00 C ATOM 0 H ILE A 117 -8.677 6.654 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.842 8.080 -3.826 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.507 6.124 -3.654 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.518 9.084 -4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.169 8.462 -2.736 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.138 6.658 -6.027 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.718 5.883 -5.765 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -8.622 7.639 -6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -5.106 8.953 -3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -5.239 7.208 -3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.593 7.839 -5.254 1.00 0.00 H new ATOM 1778 N THR A 118 -10.225 4.963 -2.916 1.00 0.00 N ATOM 1779 CA THR A 118 -11.020 3.758 -3.133 1.00 0.00 C ATOM 1780 C THR A 118 -12.315 3.801 -2.329 1.00 0.00 C ATOM 1781 O THR A 118 -13.410 3.779 -2.890 1.00 0.00 O ATOM 1782 CB THR A 118 -10.235 2.491 -2.744 1.00 0.00 C ATOM 1783 OG1 THR A 118 -9.841 2.562 -1.369 1.00 0.00 O ATOM 1784 CG2 THR A 118 -9.004 2.321 -3.620 1.00 0.00 C ATOM 0 H THR A 118 -9.662 4.950 -2.065 1.00 0.00 H new ATOM 0 HA THR A 118 -11.255 3.722 -4.197 1.00 0.00 H new ATOM 0 HB THR A 118 -10.886 1.630 -2.893 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.088 3.183 -1.276 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.468 1.419 -3.324 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.309 2.236 -4.663 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.351 3.186 -3.502 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.176 3.861 -1.009 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.323 3.906 -0.110 1.00 0.00 C ATOM 1794 C TRP A 119 -14.188 5.135 -0.382 1.00 0.00 C ATOM 1795 O TRP A 119 -15.383 5.143 -0.086 1.00 0.00 O ATOM 1796 CB TRP A 119 -12.840 3.907 1.342 1.00 0.00 C ATOM 1797 CG TRP A 119 -13.930 4.103 2.349 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -14.038 5.128 3.241 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -15.063 3.255 2.569 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -15.167 4.971 4.006 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -15.814 3.829 3.612 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -15.516 2.068 1.986 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -16.993 3.255 4.083 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -16.686 1.500 2.455 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -17.413 2.094 3.494 1.00 0.00 C ATOM 0 H TRP A 119 -11.273 3.880 -0.535 1.00 0.00 H new ATOM 0 HA TRP A 119 -13.935 3.021 -0.286 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.337 2.962 1.547 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -12.099 4.697 1.466 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.337 5.945 3.333 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -15.474 5.601 4.747 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -14.962 1.603 1.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -17.555 3.711 4.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -17.045 0.583 2.013 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -18.324 1.626 3.837 1.00 0.00 H new