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 29 THR OG1 : rot 49:sc= 0.121 USER MOD Set 1.2: A 31 HIS : no HD1:sc= 0.364 K(o=0.48,f=-4.2!) USER MOD Single : A 14 GLN : amide:sc= -0.812 K(o=-0.81,f=-3.6!) USER MOD Single : A 15 GLN : amide:sc= -0.136 K(o=-0.14,f=-0.64) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -107:sc= -0.23 (180deg=-2.76!) USER MOD Single : A 23 SER OG : rot 180:sc=0.000595 USER MOD Single : A 26 GLN : amide:sc= -0.809 K(o=-0.81,f=-1.5!) 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 180:sc= -1.47 USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= -0.118 (180deg=-0.307) USER MOD Single : A 41 SER OG : rot 41:sc= 0.214 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0582 USER MOD Single : A 67 ASN : amide:sc= -3.79! K(o=-3.8!,f=-0.17) USER MOD Single : A 68 THR OG1 : rot 170:sc= -1.08 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.15) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0227 K(o=-0.023,f=-1) USER MOD Single : A 78 LYS NZ :NH3+ -163:sc= -0.0818 (180deg=-0.409) USER MOD Single : A 79 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.9) USER MOD Single : A 80 GLN : amide:sc= -1.05 K(o=-1,f=-5.5!) 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= -1.17 K(o=-1.2,f=-0.012) USER MOD Single : A 92 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.0015) USER MOD Single : A 101 THR OG1 : rot 126:sc= -1.27! USER MOD Single : A 112 GLN : amide:sc= -1.24 K(o=-1.2,f=-7.5!) USER MOD Single : A 113 SER OG : rot -44:sc= 1.19 USER MOD Single : A 118 THR OG1 : rot -76:sc= 0.122 USER MOD ----------------------------------------------------------------- ATOM 112 N GLN A 14 0.719 12.116 -0.424 1.00 0.00 N ATOM 113 CA GLN A 14 1.260 11.207 0.574 1.00 0.00 C ATOM 114 C GLN A 14 2.292 10.269 -0.047 1.00 0.00 C ATOM 115 O GLN A 14 1.951 9.401 -0.852 1.00 0.00 O ATOM 116 CB GLN A 14 0.126 10.399 1.213 1.00 0.00 C ATOM 117 CG GLN A 14 0.600 9.161 1.953 1.00 0.00 C ATOM 118 CD GLN A 14 1.571 9.483 3.073 1.00 0.00 C ATOM 119 OE1 GLN A 14 2.783 9.535 2.863 1.00 0.00 O ATOM 120 NE2 GLN A 14 1.042 9.695 4.272 1.00 0.00 N ATOM 0 HA GLN A 14 1.757 11.796 1.345 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.419 11.040 1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.578 10.100 0.436 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.262 8.637 2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.078 8.482 1.247 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.031 9.642 4.400 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.646 9.911 5.065 1.00 0.00 H new ATOM 129 N GLN A 15 3.553 10.454 0.329 1.00 0.00 N ATOM 130 CA GLN A 15 4.635 9.626 -0.188 1.00 0.00 C ATOM 131 C GLN A 15 5.584 9.212 0.932 1.00 0.00 C ATOM 132 O GLN A 15 5.907 10.010 1.811 1.00 0.00 O ATOM 133 CB GLN A 15 5.408 10.374 -1.275 1.00 0.00 C ATOM 134 CG GLN A 15 4.546 10.799 -2.453 1.00 0.00 C ATOM 135 CD GLN A 15 5.336 11.529 -3.521 1.00 0.00 C ATOM 136 OE1 GLN A 15 6.326 12.199 -3.230 1.00 0.00 O ATOM 137 NE2 GLN A 15 4.900 11.401 -4.769 1.00 0.00 N ATOM 0 H GLN A 15 3.850 11.171 0.991 1.00 0.00 H new ATOM 0 HA GLN A 15 4.195 8.728 -0.620 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.871 11.258 -0.837 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.216 9.738 -1.637 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.077 9.918 -2.892 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.743 11.444 -2.097 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.074 10.835 -4.965 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.391 11.868 -5.531 1.00 0.00 H new ATOM 146 N GLY A 16 6.027 7.961 0.892 1.00 0.00 N ATOM 147 CA GLY A 16 6.933 7.460 1.908 1.00 0.00 C ATOM 148 C GLY A 16 7.259 5.991 1.722 1.00 0.00 C ATOM 149 O GLY A 16 7.311 5.499 0.594 1.00 0.00 O ATOM 0 H GLY A 16 5.774 7.284 0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.856 8.039 1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.488 7.608 2.892 1.00 0.00 H new ATOM 153 N GLU A 17 7.481 5.290 2.830 1.00 0.00 N ATOM 154 CA GLU A 17 7.805 3.869 2.783 1.00 0.00 C ATOM 155 C GLU A 17 6.703 3.037 3.433 1.00 0.00 C ATOM 156 O GLU A 17 6.158 3.411 4.470 1.00 0.00 O ATOM 157 CB GLU A 17 9.141 3.601 3.481 1.00 0.00 C ATOM 158 CG GLU A 17 10.336 4.236 2.788 1.00 0.00 C ATOM 159 CD GLU A 17 10.330 5.750 2.870 1.00 0.00 C ATOM 160 OE1 GLU A 17 10.553 6.284 3.977 1.00 0.00 O ATOM 161 OE2 GLU A 17 10.105 6.401 1.829 1.00 0.00 O ATOM 0 H GLU A 17 7.442 5.683 3.770 1.00 0.00 H new ATOM 0 HA GLU A 17 7.887 3.578 1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.086 3.973 4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.299 2.524 3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.254 3.857 3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.345 3.934 1.741 1.00 0.00 H new ATOM 168 N LEU A 18 6.383 1.904 2.813 1.00 0.00 N ATOM 169 CA LEU A 18 5.350 1.012 3.329 1.00 0.00 C ATOM 170 C LEU A 18 5.807 -0.441 3.275 1.00 0.00 C ATOM 171 O LEU A 18 6.850 -0.755 2.699 1.00 0.00 O ATOM 172 CB LEU A 18 4.054 1.175 2.531 1.00 0.00 C ATOM 173 CG LEU A 18 2.992 2.069 3.178 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.750 2.126 2.303 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.638 1.565 4.570 1.00 0.00 C ATOM 0 H LEU A 18 6.825 1.582 1.952 1.00 0.00 H new ATOM 0 HA LEU A 18 5.166 1.281 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.300 1.583 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.622 0.188 2.366 1.00 0.00 H new ATOM 0 HG LEU A 18 3.400 3.075 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.002 2.764 2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.012 2.533 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.344 1.122 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.882 2.215 5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.248 0.549 4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.530 1.569 5.196 1.00 0.00 H new ATOM 187 N TYR A 19 5.018 -1.325 3.879 1.00 0.00 N ATOM 188 CA TYR A 19 5.336 -2.746 3.900 1.00 0.00 C ATOM 189 C TYR A 19 4.227 -3.558 3.241 1.00 0.00 C ATOM 190 O TYR A 19 3.054 -3.427 3.591 1.00 0.00 O ATOM 191 CB TYR A 19 5.552 -3.223 5.337 1.00 0.00 C ATOM 192 CG TYR A 19 6.815 -2.684 5.968 1.00 0.00 C ATOM 193 CD1 TYR A 19 6.951 -1.331 6.249 1.00 0.00 C ATOM 194 CD2 TYR A 19 7.871 -3.529 6.284 1.00 0.00 C ATOM 195 CE1 TYR A 19 8.105 -0.833 6.825 1.00 0.00 C ATOM 196 CE2 TYR A 19 9.029 -3.040 6.862 1.00 0.00 C ATOM 197 CZ TYR A 19 9.140 -1.693 7.129 1.00 0.00 C ATOM 198 OH TYR A 19 10.291 -1.201 7.704 1.00 0.00 O ATOM 0 H TYR A 19 4.153 -1.080 4.361 1.00 0.00 H new ATOM 0 HA TYR A 19 6.257 -2.896 3.336 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.697 -2.924 5.943 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.586 -4.312 5.349 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.141 -0.656 6.014 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.787 -4.585 6.075 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.196 0.222 7.036 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.841 -3.710 7.102 1.00 0.00 H new ATOM 0 HH TYR A 19 10.921 -1.936 7.856 1.00 0.00 H new ATOM 208 N MET A 20 4.609 -4.393 2.284 1.00 0.00 N ATOM 209 CA MET A 20 3.655 -5.229 1.568 1.00 0.00 C ATOM 210 C MET A 20 4.046 -6.700 1.666 1.00 0.00 C ATOM 211 O MET A 20 5.228 -7.035 1.740 1.00 0.00 O ATOM 212 CB MET A 20 3.577 -4.798 0.102 1.00 0.00 C ATOM 213 CG MET A 20 2.848 -3.478 -0.105 1.00 0.00 C ATOM 214 SD MET A 20 3.166 -2.755 -1.726 1.00 0.00 S ATOM 215 CE MET A 20 2.537 -4.041 -2.803 1.00 0.00 C ATOM 0 H MET A 20 5.577 -4.510 1.985 1.00 0.00 H new ATOM 0 HA MET A 20 2.674 -5.105 2.027 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.588 -4.712 -0.297 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.073 -5.576 -0.471 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.776 -3.637 0.014 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.153 -2.774 0.669 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.371 -4.560 -3.276 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.952 -4.751 -2.219 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.905 -3.595 -3.571 1.00 0.00 H new ATOM 225 N TRP A 21 3.044 -7.574 1.669 1.00 0.00 N ATOM 226 CA TRP A 21 3.277 -9.010 1.767 1.00 0.00 C ATOM 227 C TRP A 21 4.127 -9.518 0.605 1.00 0.00 C ATOM 228 O TRP A 21 3.824 -9.262 -0.560 1.00 0.00 O ATOM 229 CB TRP A 21 1.944 -9.760 1.806 1.00 0.00 C ATOM 230 CG TRP A 21 2.090 -11.250 1.719 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.500 -12.077 0.805 1.00 0.00 C ATOM 232 CD2 TRP A 21 2.873 -12.092 2.575 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.866 -13.379 1.042 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.708 -13.415 2.122 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.699 -11.859 3.679 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.334 -14.496 2.734 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.320 -12.935 4.285 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.134 -14.238 3.811 1.00 0.00 C ATOM 0 H TRP A 21 2.061 -7.311 1.604 1.00 0.00 H new ATOM 0 HA TRP A 21 3.823 -9.196 2.692 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.422 -9.508 2.729 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.319 -9.416 0.982 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.842 -11.754 0.012 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.560 -14.188 0.502 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.849 -10.856 4.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.193 -15.503 2.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.960 -12.767 5.139 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.633 -15.057 4.307 1.00 0.00 H new ATOM 249 N ASP A 22 5.193 -10.239 0.938 1.00 0.00 N ATOM 250 CA ASP A 22 6.089 -10.798 -0.066 1.00 0.00 C ATOM 251 C ASP A 22 5.990 -12.319 -0.078 1.00 0.00 C ATOM 252 O ASP A 22 6.567 -12.991 0.775 1.00 0.00 O ATOM 253 CB ASP A 22 7.532 -10.372 0.211 1.00 0.00 C ATOM 254 CG ASP A 22 7.731 -8.876 0.066 1.00 0.00 C ATOM 255 OD1 ASP A 22 8.021 -8.421 -1.060 1.00 0.00 O ATOM 256 OD2 ASP A 22 7.597 -8.159 1.081 1.00 0.00 O ATOM 0 H ASP A 22 5.457 -10.450 1.900 1.00 0.00 H new ATOM 0 HA ASP A 22 5.791 -10.418 -1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.811 -10.677 1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.200 -10.893 -0.475 1.00 0.00 H new ATOM 261 N SER A 23 5.252 -12.857 -1.045 1.00 0.00 N ATOM 262 CA SER A 23 5.072 -14.302 -1.158 1.00 0.00 C ATOM 263 C SER A 23 6.340 -14.980 -1.670 1.00 0.00 C ATOM 264 O SER A 23 6.424 -16.207 -1.707 1.00 0.00 O ATOM 265 CB SER A 23 3.898 -14.622 -2.084 1.00 0.00 C ATOM 266 OG SER A 23 4.036 -13.966 -3.332 1.00 0.00 O ATOM 0 H SER A 23 4.769 -12.315 -1.761 1.00 0.00 H new ATOM 0 HA SER A 23 4.857 -14.689 -0.162 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.838 -15.699 -2.241 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.965 -14.317 -1.611 1.00 0.00 H new ATOM 0 HG SER A 23 3.273 -14.189 -3.905 1.00 0.00 H new ATOM 272 N ILE A 24 7.322 -14.177 -2.067 1.00 0.00 N ATOM 273 CA ILE A 24 8.582 -14.710 -2.569 1.00 0.00 C ATOM 274 C ILE A 24 9.372 -15.359 -1.439 1.00 0.00 C ATOM 275 O ILE A 24 9.732 -16.535 -1.509 1.00 0.00 O ATOM 276 CB ILE A 24 9.442 -13.611 -3.224 1.00 0.00 C ATOM 277 CG1 ILE A 24 8.653 -12.914 -4.336 1.00 0.00 C ATOM 278 CG2 ILE A 24 10.733 -14.204 -3.771 1.00 0.00 C ATOM 279 CD1 ILE A 24 9.374 -11.731 -4.945 1.00 0.00 C ATOM 0 H ILE A 24 7.269 -13.158 -2.051 1.00 0.00 H new ATOM 0 HA ILE A 24 8.340 -15.457 -3.325 1.00 0.00 H new ATOM 0 HB ILE A 24 9.700 -12.870 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.433 -13.637 -5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.697 -12.578 -3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.329 -13.416 -4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.298 -14.659 -2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.497 -14.962 -4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.754 -11.289 -5.725 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.570 -10.988 -4.172 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.318 -12.063 -5.377 1.00 0.00 H new ATOM 291 N ASP A 25 9.637 -14.579 -0.397 1.00 0.00 N ATOM 292 CA ASP A 25 10.370 -15.066 0.763 1.00 0.00 C ATOM 293 C ASP A 25 9.429 -15.232 1.948 1.00 0.00 C ATOM 294 O ASP A 25 9.847 -15.610 3.042 1.00 0.00 O ATOM 295 CB ASP A 25 11.497 -14.098 1.126 1.00 0.00 C ATOM 296 CG ASP A 25 12.618 -14.105 0.107 1.00 0.00 C ATOM 297 OD1 ASP A 25 12.537 -13.332 -0.871 1.00 0.00 O ATOM 298 OD2 ASP A 25 13.578 -14.883 0.285 1.00 0.00 O ATOM 0 H ASP A 25 9.353 -13.601 -0.333 1.00 0.00 H new ATOM 0 HA ASP A 25 10.804 -16.035 0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.092 -13.089 1.210 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.898 -14.363 2.104 1.00 0.00 H new ATOM 303 N GLN A 26 8.150 -14.946 1.713 1.00 0.00 N ATOM 304 CA GLN A 26 7.135 -15.047 2.752 1.00 0.00 C ATOM 305 C GLN A 26 7.545 -14.247 3.979 1.00 0.00 C ATOM 306 O GLN A 26 7.883 -14.809 5.022 1.00 0.00 O ATOM 307 CB GLN A 26 6.877 -16.507 3.114 1.00 0.00 C ATOM 308 CG GLN A 26 6.051 -17.235 2.068 1.00 0.00 C ATOM 309 CD GLN A 26 4.668 -17.606 2.564 1.00 0.00 C ATOM 310 OE1 GLN A 26 4.467 -17.860 3.751 1.00 0.00 O ATOM 311 NE2 GLN A 26 3.703 -17.638 1.650 1.00 0.00 N ATOM 0 H GLN A 26 7.794 -14.641 0.807 1.00 0.00 H new ATOM 0 HA GLN A 26 6.206 -14.626 2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.831 -17.020 3.239 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.362 -16.553 4.074 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.958 -16.605 1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.577 -18.139 1.762 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.915 -17.420 0.676 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.750 -17.880 1.922 1.00 0.00 H new ATOM 320 N LYS A 27 7.516 -12.925 3.838 1.00 0.00 N ATOM 321 CA LYS A 27 7.892 -12.029 4.925 1.00 0.00 C ATOM 322 C LYS A 27 7.563 -10.580 4.575 1.00 0.00 C ATOM 323 O LYS A 27 7.058 -10.292 3.488 1.00 0.00 O ATOM 324 CB LYS A 27 9.388 -12.163 5.221 1.00 0.00 C ATOM 325 CG LYS A 27 10.277 -11.678 4.086 1.00 0.00 C ATOM 326 CD LYS A 27 11.748 -11.893 4.401 1.00 0.00 C ATOM 327 CE LYS A 27 12.640 -11.340 3.302 1.00 0.00 C ATOM 328 NZ LYS A 27 14.084 -11.539 3.605 1.00 0.00 N ATOM 0 H LYS A 27 7.235 -12.451 2.980 1.00 0.00 H new ATOM 0 HA LYS A 27 7.321 -12.309 5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.624 -11.599 6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.617 -13.208 5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.019 -12.207 3.169 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.093 -10.619 3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.993 -11.410 5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.942 -12.958 4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.397 -11.827 2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.440 -10.276 3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.658 -11.148 2.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.323 -11.053 4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.281 -12.555 3.703 1.00 0.00 H new ATOM 342 N TRP A 28 7.852 -9.674 5.503 1.00 0.00 N ATOM 343 CA TRP A 28 7.598 -8.252 5.293 1.00 0.00 C ATOM 344 C TRP A 28 8.889 -7.518 4.940 1.00 0.00 C ATOM 345 O TRP A 28 9.894 -7.639 5.642 1.00 0.00 O ATOM 346 CB TRP A 28 6.977 -7.627 6.545 1.00 0.00 C ATOM 347 CG TRP A 28 5.574 -8.079 6.809 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.176 -9.058 7.674 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.380 -7.566 6.205 1.00 0.00 C ATOM 350 NE1 TRP A 28 3.808 -9.182 7.648 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.297 -8.280 6.751 1.00 0.00 C ATOM 352 CE3 TRP A 28 4.122 -6.572 5.256 1.00 0.00 C ATOM 353 CZ2 TRP A 28 1.979 -8.032 6.381 1.00 0.00 C ATOM 354 CZ3 TRP A 28 2.812 -6.327 4.890 1.00 0.00 C ATOM 355 CH2 TRP A 28 1.756 -7.055 5.451 1.00 0.00 C ATOM 0 H TRP A 28 8.263 -9.899 6.409 1.00 0.00 H new ATOM 0 HA TRP A 28 6.899 -8.155 4.462 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.597 -7.871 7.408 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.987 -6.542 6.442 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.840 -9.648 8.289 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.261 -9.838 8.205 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.931 -6.007 4.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.162 -8.591 6.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.599 -5.561 4.159 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.744 -6.840 5.143 1.00 0.00 H new ATOM 366 N THR A 29 8.854 -6.759 3.851 1.00 0.00 N ATOM 367 CA THR A 29 10.020 -6.003 3.409 1.00 0.00 C ATOM 368 C THR A 29 9.691 -4.521 3.275 1.00 0.00 C ATOM 369 O THR A 29 8.525 -4.127 3.327 1.00 0.00 O ATOM 370 CB THR A 29 10.555 -6.522 2.061 1.00 0.00 C ATOM 371 OG1 THR A 29 9.575 -6.325 1.037 1.00 0.00 O ATOM 372 CG2 THR A 29 10.908 -7.998 2.148 1.00 0.00 C ATOM 0 H THR A 29 8.031 -6.651 3.258 1.00 0.00 H new ATOM 0 HA THR A 29 10.790 -6.138 4.169 1.00 0.00 H new ATOM 0 HB THR A 29 11.458 -5.962 1.816 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.239 -5.406 1.079 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.283 -8.340 1.183 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.675 -8.144 2.908 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.019 -8.570 2.415 1.00 0.00 H new ATOM 380 N ARG A 30 10.723 -3.702 3.100 1.00 0.00 N ATOM 381 CA ARG A 30 10.541 -2.262 2.960 1.00 0.00 C ATOM 382 C ARG A 30 10.361 -1.873 1.496 1.00 0.00 C ATOM 383 O ARG A 30 11.089 -2.346 0.622 1.00 0.00 O ATOM 384 CB ARG A 30 11.738 -1.517 3.556 1.00 0.00 C ATOM 385 CG ARG A 30 11.615 -0.004 3.476 1.00 0.00 C ATOM 386 CD ARG A 30 12.811 0.686 4.113 1.00 0.00 C ATOM 387 NE ARG A 30 12.941 0.358 5.530 1.00 0.00 N ATOM 388 CZ ARG A 30 13.820 0.936 6.343 1.00 0.00 C ATOM 389 NH1 ARG A 30 14.644 1.867 5.881 1.00 0.00 N ATOM 390 NH2 ARG A 30 13.877 0.583 7.619 1.00 0.00 N ATOM 0 H ARG A 30 11.694 -4.011 3.052 1.00 0.00 H new ATOM 0 HA ARG A 30 9.639 -1.981 3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.854 -1.809 4.600 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.644 -1.827 3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.531 0.301 2.433 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.701 0.315 3.976 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.720 0.393 3.588 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.710 1.765 3.998 1.00 0.00 H new ATOM 0 HE ARG A 30 12.323 -0.355 5.918 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.604 2.141 4.899 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.317 2.309 6.507 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.246 -0.133 7.979 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.552 1.027 8.241 1.00 0.00 H new ATOM 404 N HIS A 31 9.385 -1.007 1.237 1.00 0.00 N ATOM 405 CA HIS A 31 9.107 -0.549 -0.121 1.00 0.00 C ATOM 406 C HIS A 31 8.936 0.965 -0.154 1.00 0.00 C ATOM 407 O HIS A 31 8.567 1.580 0.846 1.00 0.00 O ATOM 408 CB HIS A 31 7.840 -1.216 -0.662 1.00 0.00 C ATOM 409 CG HIS A 31 7.859 -2.710 -0.590 1.00 0.00 C ATOM 410 ND1 HIS A 31 8.264 -3.510 -1.638 1.00 0.00 N ATOM 411 CD2 HIS A 31 7.510 -3.552 0.411 1.00 0.00 C ATOM 412 CE1 HIS A 31 8.160 -4.779 -1.286 1.00 0.00 C ATOM 413 NE2 HIS A 31 7.705 -4.831 -0.048 1.00 0.00 N ATOM 0 H HIS A 31 8.774 -0.608 1.949 1.00 0.00 H new ATOM 0 HA HIS A 31 9.954 -0.825 -0.749 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.980 -0.847 -0.103 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.698 -0.915 -1.700 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.146 -3.270 1.388 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.405 -5.629 -1.905 1.00 0.00 H new ATOM 0 HE2 HIS A 31 7.527 -5.684 0.482 1.00 0.00 H new ATOM 422 N TYR A 32 9.206 1.562 -1.311 1.00 0.00 N ATOM 423 CA TYR A 32 9.064 3.004 -1.476 1.00 0.00 C ATOM 424 C TYR A 32 7.784 3.324 -2.240 1.00 0.00 C ATOM 425 O TYR A 32 7.759 3.293 -3.470 1.00 0.00 O ATOM 426 CB TYR A 32 10.276 3.581 -2.211 1.00 0.00 C ATOM 427 CG TYR A 32 10.244 5.088 -2.345 1.00 0.00 C ATOM 428 CD1 TYR A 32 10.617 5.906 -1.286 1.00 0.00 C ATOM 429 CD2 TYR A 32 9.840 5.691 -3.530 1.00 0.00 C ATOM 430 CE1 TYR A 32 10.587 7.283 -1.404 1.00 0.00 C ATOM 431 CE2 TYR A 32 9.809 7.066 -3.655 1.00 0.00 C ATOM 432 CZ TYR A 32 10.183 7.858 -2.590 1.00 0.00 C ATOM 433 OH TYR A 32 10.154 9.228 -2.712 1.00 0.00 O ATOM 0 H TYR A 32 9.524 1.070 -2.146 1.00 0.00 H new ATOM 0 HA TYR A 32 9.007 3.461 -0.488 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.183 3.291 -1.681 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.332 3.138 -3.205 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.935 5.459 -0.356 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.546 5.075 -4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.879 7.905 -0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.493 7.519 -4.583 1.00 0.00 H new ATOM 0 HH TYR A 32 9.847 9.470 -3.611 1.00 0.00 H new ATOM 443 N CYS A 33 6.722 3.624 -1.500 1.00 0.00 N ATOM 444 CA CYS A 33 5.432 3.936 -2.104 1.00 0.00 C ATOM 445 C CYS A 33 5.273 5.434 -2.344 1.00 0.00 C ATOM 446 O CYS A 33 5.972 6.250 -1.744 1.00 0.00 O ATOM 447 CB CYS A 33 4.297 3.430 -1.214 1.00 0.00 C ATOM 448 SG CYS A 33 4.256 1.633 -1.020 1.00 0.00 S ATOM 0 H CYS A 33 6.729 3.658 -0.481 1.00 0.00 H new ATOM 0 HA CYS A 33 5.388 3.433 -3.070 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.389 3.889 -0.230 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.346 3.761 -1.632 1.00 0.00 H new ATOM 0 HG CYS A 33 3.263 1.302 -0.249 1.00 0.00 H new ATOM 454 N ALA A 34 4.345 5.780 -3.230 1.00 0.00 N ATOM 455 CA ALA A 34 4.073 7.173 -3.563 1.00 0.00 C ATOM 456 C ALA A 34 2.779 7.293 -4.360 1.00 0.00 C ATOM 457 O ALA A 34 2.646 6.708 -5.436 1.00 0.00 O ATOM 458 CB ALA A 34 5.235 7.769 -4.343 1.00 0.00 C ATOM 0 H ALA A 34 3.765 5.109 -3.734 1.00 0.00 H new ATOM 0 HA ALA A 34 3.956 7.731 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.016 8.809 -4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.142 7.719 -3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.381 7.206 -5.265 1.00 0.00 H new ATOM 464 N ILE A 35 1.827 8.053 -3.829 1.00 0.00 N ATOM 465 CA ILE A 35 0.543 8.241 -4.492 1.00 0.00 C ATOM 466 C ILE A 35 0.583 9.422 -5.455 1.00 0.00 C ATOM 467 O ILE A 35 0.925 10.541 -5.070 1.00 0.00 O ATOM 468 CB ILE A 35 -0.591 8.458 -3.470 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.698 7.250 -2.536 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.913 8.703 -4.184 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.688 7.440 -1.406 1.00 0.00 C ATOM 0 H ILE A 35 1.921 8.548 -2.942 1.00 0.00 H new ATOM 0 HA ILE A 35 0.344 7.329 -5.055 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.359 9.339 -2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.989 6.376 -3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.285 7.040 -2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.702 8.854 -3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.828 9.590 -4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.157 7.841 -4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.709 6.543 -0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.387 8.294 -0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.681 7.620 -1.818 1.00 0.00 H new ATOM 483 N ALA A 36 0.230 9.163 -6.710 1.00 0.00 N ATOM 484 CA ALA A 36 0.220 10.198 -7.736 1.00 0.00 C ATOM 485 C ALA A 36 -1.156 10.309 -8.386 1.00 0.00 C ATOM 486 O ALA A 36 -1.664 9.339 -8.946 1.00 0.00 O ATOM 487 CB ALA A 36 1.280 9.909 -8.787 1.00 0.00 C ATOM 0 H ALA A 36 -0.054 8.241 -7.041 1.00 0.00 H new ATOM 0 HA ALA A 36 0.448 11.152 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.261 10.690 -9.547 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.263 9.885 -8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.077 8.945 -9.253 1.00 0.00 H new ATOM 493 N ASP A 37 -1.748 11.499 -8.304 1.00 0.00 N ATOM 494 CA ASP A 37 -3.068 11.750 -8.880 1.00 0.00 C ATOM 495 C ASP A 37 -4.143 10.926 -8.176 1.00 0.00 C ATOM 496 O ASP A 37 -4.841 11.427 -7.293 1.00 0.00 O ATOM 497 CB ASP A 37 -3.069 11.446 -10.381 1.00 0.00 C ATOM 498 CG ASP A 37 -2.057 12.280 -11.141 1.00 0.00 C ATOM 499 OD1 ASP A 37 -2.416 13.388 -11.589 1.00 0.00 O ATOM 500 OD2 ASP A 37 -0.904 11.823 -11.289 1.00 0.00 O ATOM 0 H ASP A 37 -1.332 12.308 -7.842 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.298 12.806 -8.735 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.853 10.389 -10.535 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.064 11.630 -10.785 1.00 0.00 H new ATOM 505 N ALA A 38 -4.275 9.662 -8.568 1.00 0.00 N ATOM 506 CA ALA A 38 -5.269 8.777 -7.969 1.00 0.00 C ATOM 507 C ALA A 38 -4.774 7.336 -7.924 1.00 0.00 C ATOM 508 O ALA A 38 -5.541 6.417 -7.641 1.00 0.00 O ATOM 509 CB ALA A 38 -6.579 8.857 -8.738 1.00 0.00 C ATOM 0 H ALA A 38 -3.707 9.228 -9.296 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.436 9.108 -6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.311 8.192 -8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.953 9.880 -8.713 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.413 8.556 -9.772 1.00 0.00 H new ATOM 515 N LYS A 39 -3.490 7.143 -8.205 1.00 0.00 N ATOM 516 CA LYS A 39 -2.900 5.809 -8.194 1.00 0.00 C ATOM 517 C LYS A 39 -1.781 5.708 -7.163 1.00 0.00 C ATOM 518 O LYS A 39 -1.298 6.719 -6.655 1.00 0.00 O ATOM 519 CB LYS A 39 -2.369 5.456 -9.583 1.00 0.00 C ATOM 520 CG LYS A 39 -3.463 5.343 -10.630 1.00 0.00 C ATOM 521 CD LYS A 39 -2.905 4.931 -11.981 1.00 0.00 C ATOM 522 CE LYS A 39 -3.960 5.031 -13.070 1.00 0.00 C ATOM 523 NZ LYS A 39 -5.144 4.179 -12.775 1.00 0.00 N ATOM 0 H LYS A 39 -2.839 7.891 -8.443 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.679 5.098 -7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.653 6.216 -9.895 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.828 4.511 -9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.205 4.614 -10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.977 6.300 -10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.056 5.566 -12.235 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.532 3.908 -11.926 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.276 6.069 -13.175 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.526 4.732 -14.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.882 4.352 -13.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.866 3.177 -12.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.513 4.412 -11.831 1.00 0.00 H new ATOM 537 N LEU A 40 -1.378 4.478 -6.857 1.00 0.00 N ATOM 538 CA LEU A 40 -0.319 4.236 -5.884 1.00 0.00 C ATOM 539 C LEU A 40 0.752 3.316 -6.463 1.00 0.00 C ATOM 540 O LEU A 40 0.481 2.163 -6.793 1.00 0.00 O ATOM 541 CB LEU A 40 -0.908 3.619 -4.611 1.00 0.00 C ATOM 542 CG LEU A 40 0.114 3.039 -3.633 1.00 0.00 C ATOM 543 CD1 LEU A 40 1.032 4.131 -3.107 1.00 0.00 C ATOM 544 CD2 LEU A 40 -0.590 2.333 -2.484 1.00 0.00 C ATOM 0 H LEU A 40 -1.770 3.632 -7.270 1.00 0.00 H new ATOM 0 HA LEU A 40 0.146 5.191 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.490 4.381 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.602 2.828 -4.897 1.00 0.00 H new ATOM 0 HG LEU A 40 0.723 2.308 -4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.752 3.698 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.563 4.592 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.440 4.887 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.152 1.926 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.224 3.044 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.204 1.522 -2.877 1.00 0.00 H new ATOM 556 N SER A 41 1.974 3.831 -6.575 1.00 0.00 N ATOM 557 CA SER A 41 3.083 3.052 -7.116 1.00 0.00 C ATOM 558 C SER A 41 4.052 2.630 -6.017 1.00 0.00 C ATOM 559 O SER A 41 4.602 3.472 -5.306 1.00 0.00 O ATOM 560 CB SER A 41 3.832 3.858 -8.180 1.00 0.00 C ATOM 561 OG SER A 41 4.231 5.120 -7.676 1.00 0.00 O ATOM 0 H SER A 41 2.220 4.782 -6.299 1.00 0.00 H new ATOM 0 HA SER A 41 2.665 2.154 -7.570 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.709 3.302 -8.512 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.193 3.997 -9.052 1.00 0.00 H new ATOM 0 HG SER A 41 4.549 5.019 -6.755 1.00 0.00 H new ATOM 567 N PHE A 42 4.256 1.324 -5.882 1.00 0.00 N ATOM 568 CA PHE A 42 5.169 0.796 -4.875 1.00 0.00 C ATOM 569 C PHE A 42 6.466 0.324 -5.525 1.00 0.00 C ATOM 570 O PHE A 42 6.445 -0.401 -6.521 1.00 0.00 O ATOM 571 CB PHE A 42 4.514 -0.349 -4.095 1.00 0.00 C ATOM 572 CG PHE A 42 4.059 -1.496 -4.954 1.00 0.00 C ATOM 573 CD1 PHE A 42 2.814 -1.472 -5.562 1.00 0.00 C ATOM 574 CD2 PHE A 42 4.874 -2.600 -5.146 1.00 0.00 C ATOM 575 CE1 PHE A 42 2.390 -2.528 -6.346 1.00 0.00 C ATOM 576 CE2 PHE A 42 4.456 -3.659 -5.929 1.00 0.00 C ATOM 577 CZ PHE A 42 3.213 -3.623 -6.530 1.00 0.00 C ATOM 0 H PHE A 42 3.803 0.613 -6.456 1.00 0.00 H new ATOM 0 HA PHE A 42 5.404 1.597 -4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.222 -0.722 -3.355 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.657 0.043 -3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.168 -0.618 -5.422 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.847 -2.633 -4.678 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.417 -2.498 -6.814 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.101 -4.514 -6.071 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.885 -4.449 -7.143 1.00 0.00 H new ATOM 587 N SER A 43 7.592 0.745 -4.961 1.00 0.00 N ATOM 588 CA SER A 43 8.898 0.373 -5.491 1.00 0.00 C ATOM 589 C SER A 43 9.394 -0.934 -4.882 1.00 0.00 C ATOM 590 O SER A 43 8.940 -1.346 -3.814 1.00 0.00 O ATOM 591 CB SER A 43 9.913 1.486 -5.227 1.00 0.00 C ATOM 592 OG SER A 43 11.193 1.140 -5.727 1.00 0.00 O ATOM 0 H SER A 43 7.627 1.344 -4.136 1.00 0.00 H new ATOM 0 HA SER A 43 8.791 0.228 -6.566 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.574 2.410 -5.696 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.977 1.677 -4.156 1.00 0.00 H new ATOM 0 HG SER A 43 11.823 1.869 -5.547 1.00 0.00 H new ATOM 598 N ASP A 44 10.329 -1.580 -5.573 1.00 0.00 N ATOM 599 CA ASP A 44 10.898 -2.838 -5.106 1.00 0.00 C ATOM 600 C ASP A 44 11.795 -2.604 -3.894 1.00 0.00 C ATOM 601 O ASP A 44 12.163 -1.467 -3.597 1.00 0.00 O ATOM 602 CB ASP A 44 11.697 -3.506 -6.227 1.00 0.00 C ATOM 603 CG ASP A 44 12.235 -4.867 -5.827 1.00 0.00 C ATOM 604 OD1 ASP A 44 11.497 -5.864 -5.979 1.00 0.00 O ATOM 605 OD2 ASP A 44 13.391 -4.935 -5.362 1.00 0.00 O ATOM 0 H ASP A 44 10.709 -1.251 -6.461 1.00 0.00 H new ATOM 0 HA ASP A 44 10.081 -3.497 -4.812 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.062 -3.614 -7.106 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.528 -2.860 -6.511 1.00 0.00 H new ATOM 610 N ASP A 45 12.134 -3.686 -3.196 1.00 0.00 N ATOM 611 CA ASP A 45 12.992 -3.605 -2.016 1.00 0.00 C ATOM 612 C ASP A 45 14.168 -2.664 -2.258 1.00 0.00 C ATOM 613 O ASP A 45 14.849 -2.757 -3.280 1.00 0.00 O ATOM 614 CB ASP A 45 13.507 -4.997 -1.651 1.00 0.00 C ATOM 615 CG ASP A 45 12.411 -6.042 -1.663 1.00 0.00 C ATOM 616 OD1 ASP A 45 12.174 -6.641 -2.734 1.00 0.00 O ATOM 617 OD2 ASP A 45 11.789 -6.263 -0.604 1.00 0.00 O ATOM 0 H ASP A 45 11.827 -4.631 -3.428 1.00 0.00 H new ATOM 0 HA ASP A 45 12.401 -3.209 -1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.289 -5.287 -2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.963 -4.964 -0.661 1.00 0.00 H new ATOM 622 N ILE A 46 14.402 -1.759 -1.312 1.00 0.00 N ATOM 623 CA ILE A 46 15.493 -0.796 -1.428 1.00 0.00 C ATOM 624 C ILE A 46 16.661 -1.161 -0.517 1.00 0.00 C ATOM 625 O ILE A 46 17.637 -0.418 -0.418 1.00 0.00 O ATOM 626 CB ILE A 46 15.019 0.630 -1.089 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.439 0.676 0.328 1.00 0.00 C ATOM 628 CG2 ILE A 46 13.990 1.101 -2.108 1.00 0.00 C ATOM 629 CD1 ILE A 46 14.066 2.068 0.789 1.00 0.00 C ATOM 0 H ILE A 46 13.852 -1.672 -0.458 1.00 0.00 H new ATOM 0 HA ILE A 46 15.828 -0.827 -2.465 1.00 0.00 H new ATOM 0 HB ILE A 46 15.876 1.303 -1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.555 0.040 0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.167 0.256 1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.664 2.110 -1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.437 1.102 -3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.132 0.429 -2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.663 2.020 1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 46 14.952 2.703 0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.315 2.484 0.118 1.00 0.00 H new ATOM 641 N GLU A 47 16.558 -2.309 0.145 1.00 0.00 N ATOM 642 CA GLU A 47 17.611 -2.765 1.046 1.00 0.00 C ATOM 643 C GLU A 47 17.548 -4.276 1.243 1.00 0.00 C ATOM 644 O GLU A 47 18.579 -4.939 1.356 1.00 0.00 O ATOM 645 CB GLU A 47 17.498 -2.056 2.397 1.00 0.00 C ATOM 646 CG GLU A 47 16.132 -2.201 3.049 1.00 0.00 C ATOM 647 CD GLU A 47 16.045 -1.490 4.384 1.00 0.00 C ATOM 648 OE1 GLU A 47 15.793 -0.266 4.390 1.00 0.00 O ATOM 649 OE2 GLU A 47 16.229 -2.154 5.425 1.00 0.00 O ATOM 0 H GLU A 47 15.759 -2.939 0.075 1.00 0.00 H new ATOM 0 HA GLU A 47 18.571 -2.519 0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.257 -2.454 3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.716 -0.997 2.261 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.370 -1.803 2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.911 -3.259 3.190 1.00 0.00 H new ATOM 841 N ARG A 61 7.570 -0.919 -9.526 1.00 0.00 N ATOM 842 CA ARG A 61 7.375 -2.364 -9.550 1.00 0.00 C ATOM 843 C ARG A 61 5.910 -2.701 -9.805 1.00 0.00 C ATOM 844 O ARG A 61 5.587 -3.765 -10.331 1.00 0.00 O ATOM 845 CB ARG A 61 7.832 -2.979 -8.224 1.00 0.00 C ATOM 846 CG ARG A 61 7.732 -4.496 -8.182 1.00 0.00 C ATOM 847 CD ARG A 61 8.855 -5.158 -8.966 1.00 0.00 C ATOM 848 NE ARG A 61 8.752 -4.904 -10.401 1.00 0.00 N ATOM 849 CZ ARG A 61 9.711 -5.197 -11.274 1.00 0.00 C ATOM 850 NH1 ARG A 61 10.842 -5.752 -10.859 1.00 0.00 N ATOM 851 NH2 ARG A 61 9.540 -4.936 -12.562 1.00 0.00 N ATOM 0 HA ARG A 61 7.974 -2.781 -10.360 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.865 -2.687 -8.036 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.231 -2.562 -7.415 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.764 -4.834 -7.146 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.771 -4.808 -8.590 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.815 -4.791 -8.602 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.836 -6.233 -8.787 1.00 0.00 H new ATOM 0 HE ARG A 61 7.895 -4.477 -10.753 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.977 -5.955 -9.869 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.577 -5.976 -11.530 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.672 -4.510 -12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.277 -5.161 -13.230 1.00 0.00 H new ATOM 865 N GLY A 62 5.031 -1.779 -9.426 1.00 0.00 N ATOM 866 CA GLY A 62 3.607 -1.981 -9.616 1.00 0.00 C ATOM 867 C GLY A 62 2.800 -0.770 -9.192 1.00 0.00 C ATOM 868 O GLY A 62 3.255 0.028 -8.373 1.00 0.00 O ATOM 0 H GLY A 62 5.281 -0.892 -8.989 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.409 -2.199 -10.665 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.285 -2.850 -9.043 1.00 0.00 H new ATOM 872 N ILE A 63 1.601 -0.629 -9.750 1.00 0.00 N ATOM 873 CA ILE A 63 0.740 0.500 -9.423 1.00 0.00 C ATOM 874 C ILE A 63 -0.710 0.066 -9.247 1.00 0.00 C ATOM 875 O ILE A 63 -1.212 -0.776 -9.992 1.00 0.00 O ATOM 876 CB ILE A 63 0.794 1.589 -10.514 1.00 0.00 C ATOM 877 CG1 ILE A 63 2.244 1.978 -10.814 1.00 0.00 C ATOM 878 CG2 ILE A 63 -0.010 2.807 -10.081 1.00 0.00 C ATOM 879 CD1 ILE A 63 2.381 3.026 -11.898 1.00 0.00 C ATOM 0 H ILE A 63 1.206 -1.281 -10.428 1.00 0.00 H new ATOM 0 HA ILE A 63 1.115 0.907 -8.484 1.00 0.00 H new ATOM 0 HB ILE A 63 0.353 1.189 -11.427 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.707 2.350 -9.900 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.796 1.086 -11.111 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.036 3.569 -10.859 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.048 2.518 -9.917 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.406 3.208 -9.156 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.436 3.251 -12.055 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.948 2.650 -12.825 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.858 3.933 -11.595 1.00 0.00 H new ATOM 891 N LEU A 64 -1.378 0.649 -8.257 1.00 0.00 N ATOM 892 CA LEU A 64 -2.776 0.344 -7.992 1.00 0.00 C ATOM 893 C LEU A 64 -3.662 1.460 -8.534 1.00 0.00 C ATOM 894 O LEU A 64 -3.645 2.578 -8.021 1.00 0.00 O ATOM 895 CB LEU A 64 -3.028 0.171 -6.488 1.00 0.00 C ATOM 896 CG LEU A 64 -2.377 -1.055 -5.837 1.00 0.00 C ATOM 897 CD1 LEU A 64 -2.781 -2.329 -6.563 1.00 0.00 C ATOM 898 CD2 LEU A 64 -0.862 -0.913 -5.809 1.00 0.00 C ATOM 0 H LEU A 64 -0.970 1.337 -7.624 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.019 -0.593 -8.492 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.671 1.064 -5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.104 0.117 -6.323 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.732 -1.119 -4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.308 -3.186 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.864 -2.443 -6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.461 -2.272 -7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.422 -1.795 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.487 -0.816 -6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.590 -0.026 -5.236 1.00 0.00 H new ATOM 910 N ASP A 65 -4.422 1.155 -9.580 1.00 0.00 N ATOM 911 CA ASP A 65 -5.313 2.138 -10.187 1.00 0.00 C ATOM 912 C ASP A 65 -6.189 2.801 -9.126 1.00 0.00 C ATOM 913 O ASP A 65 -6.615 3.945 -9.285 1.00 0.00 O ATOM 914 CB ASP A 65 -6.194 1.472 -11.246 1.00 0.00 C ATOM 915 CG ASP A 65 -5.381 0.758 -12.309 1.00 0.00 C ATOM 916 OD1 ASP A 65 -4.950 -0.387 -12.057 1.00 0.00 O ATOM 917 OD2 ASP A 65 -5.176 1.343 -13.393 1.00 0.00 O ATOM 0 H ASP A 65 -4.439 0.237 -10.025 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.701 2.905 -10.662 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.862 0.759 -10.763 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.822 2.227 -11.719 1.00 0.00 H new ATOM 922 N LEU A 66 -6.448 2.070 -8.043 1.00 0.00 N ATOM 923 CA LEU A 66 -7.272 2.571 -6.944 1.00 0.00 C ATOM 924 C LEU A 66 -8.681 2.916 -7.419 1.00 0.00 C ATOM 925 O LEU A 66 -9.486 3.458 -6.663 1.00 0.00 O ATOM 926 CB LEU A 66 -6.616 3.794 -6.298 1.00 0.00 C ATOM 927 CG LEU A 66 -5.322 3.506 -5.531 1.00 0.00 C ATOM 928 CD1 LEU A 66 -4.666 4.804 -5.084 1.00 0.00 C ATOM 929 CD2 LEU A 66 -5.596 2.606 -4.335 1.00 0.00 C ATOM 0 H LEU A 66 -6.097 1.123 -7.903 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.352 1.779 -6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.404 4.527 -7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.331 4.252 -5.615 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.636 2.986 -6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.748 4.579 -4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.431 5.413 -5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.348 5.351 -4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.664 2.413 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.301 3.097 -3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.019 1.662 -4.679 1.00 0.00 H new ATOM 941 N ASN A 67 -8.972 2.600 -8.676 1.00 0.00 N ATOM 942 CA ASN A 67 -10.287 2.861 -9.248 1.00 0.00 C ATOM 943 C ASN A 67 -11.090 1.569 -9.344 1.00 0.00 C ATOM 944 O ASN A 67 -12.226 1.563 -9.819 1.00 0.00 O ATOM 945 CB ASN A 67 -10.152 3.496 -10.635 1.00 0.00 C ATOM 946 CG ASN A 67 -9.722 4.951 -10.576 1.00 0.00 C ATOM 947 OD1 ASN A 67 -10.082 5.750 -11.439 1.00 0.00 O ATOM 948 ND2 ASN A 67 -8.946 5.303 -9.557 1.00 0.00 N ATOM 0 H ASN A 67 -8.313 2.162 -9.319 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.813 3.556 -8.594 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.426 2.931 -11.219 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.106 3.425 -11.157 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.626 6.268 -9.469 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.670 4.609 -8.862 1.00 0.00 H new ATOM 955 N THR A 68 -10.487 0.474 -8.887 1.00 0.00 N ATOM 956 CA THR A 68 -11.140 -0.830 -8.919 1.00 0.00 C ATOM 957 C THR A 68 -10.608 -1.740 -7.812 1.00 0.00 C ATOM 958 O THR A 68 -10.141 -2.848 -8.071 1.00 0.00 O ATOM 959 CB THR A 68 -10.950 -1.518 -10.286 1.00 0.00 C ATOM 960 OG1 THR A 68 -11.533 -2.826 -10.265 1.00 0.00 O ATOM 961 CG2 THR A 68 -9.476 -1.619 -10.646 1.00 0.00 C ATOM 0 H THR A 68 -9.547 0.465 -8.490 1.00 0.00 H new ATOM 0 HA THR A 68 -12.204 -0.659 -8.757 1.00 0.00 H new ATOM 0 HB THR A 68 -11.449 -0.911 -11.041 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.552 -3.191 -11.174 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.371 -2.108 -11.614 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.044 -0.619 -10.695 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.955 -2.202 -9.887 1.00 0.00 H new ATOM 969 N TYR A 69 -10.682 -1.261 -6.574 1.00 0.00 N ATOM 970 CA TYR A 69 -10.217 -2.031 -5.422 1.00 0.00 C ATOM 971 C TYR A 69 -11.073 -1.735 -4.194 1.00 0.00 C ATOM 972 O TYR A 69 -11.907 -0.829 -4.207 1.00 0.00 O ATOM 973 CB TYR A 69 -8.754 -1.706 -5.100 1.00 0.00 C ATOM 974 CG TYR A 69 -7.744 -2.506 -5.891 1.00 0.00 C ATOM 975 CD1 TYR A 69 -7.336 -2.100 -7.155 1.00 0.00 C ATOM 976 CD2 TYR A 69 -7.191 -3.665 -5.364 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.405 -2.829 -7.872 1.00 0.00 C ATOM 978 CE2 TYR A 69 -6.261 -4.399 -6.073 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.871 -3.977 -7.326 1.00 0.00 C ATOM 980 OH TYR A 69 -4.945 -4.707 -8.036 1.00 0.00 O ATOM 0 H TYR A 69 -11.060 -0.343 -6.341 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.302 -3.087 -5.679 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.582 -0.645 -5.283 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.582 -1.878 -4.037 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.752 -1.201 -7.585 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.493 -3.998 -4.382 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.098 -2.501 -8.854 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.841 -5.299 -5.648 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.668 -5.486 -7.509 1.00 0.00 H new ATOM 990 N ASN A 70 -10.858 -2.508 -3.134 1.00 0.00 N ATOM 991 CA ASN A 70 -11.588 -2.324 -1.884 1.00 0.00 C ATOM 992 C ASN A 70 -10.640 -2.439 -0.694 1.00 0.00 C ATOM 993 O ASN A 70 -9.863 -3.386 -0.601 1.00 0.00 O ATOM 994 CB ASN A 70 -12.713 -3.353 -1.756 1.00 0.00 C ATOM 995 CG ASN A 70 -13.785 -3.179 -2.814 1.00 0.00 C ATOM 996 OD1 ASN A 70 -14.734 -2.418 -2.633 1.00 0.00 O ATOM 997 ND2 ASN A 70 -13.638 -3.891 -3.924 1.00 0.00 N ATOM 0 H ASN A 70 -10.181 -3.271 -3.116 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.029 -1.327 -1.892 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.293 -4.356 -1.831 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.166 -3.270 -0.768 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.329 -3.820 -4.671 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.834 -4.510 -4.030 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.711 -1.478 0.217 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.845 -1.483 1.389 1.00 0.00 C ATOM 1006 C VAL A 71 -10.550 -2.104 2.591 1.00 0.00 C ATOM 1007 O VAL A 71 -11.688 -1.754 2.907 1.00 0.00 O ATOM 1008 CB VAL A 71 -9.383 -0.058 1.753 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.465 -0.087 2.963 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.692 0.600 0.569 1.00 0.00 C ATOM 0 H VAL A 71 -11.355 -0.689 0.168 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.972 -2.084 1.135 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.263 0.534 2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.149 0.928 3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.997 -0.514 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.589 -0.696 2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.373 1.605 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.822 0.010 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.385 0.658 -0.271 1.00 0.00 H new ATOM 1020 N VAL A 72 -9.863 -3.027 3.257 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.412 -3.704 4.425 1.00 0.00 C ATOM 1022 C VAL A 72 -9.403 -3.713 5.567 1.00 0.00 C ATOM 1023 O VAL A 72 -8.254 -4.115 5.390 1.00 0.00 O ATOM 1024 CB VAL A 72 -10.826 -5.153 4.100 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.238 -5.192 3.535 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -9.841 -5.793 3.136 1.00 0.00 C ATOM 0 H VAL A 72 -8.920 -3.324 3.005 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.300 -3.149 4.728 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.813 -5.728 5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.512 -6.223 3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.934 -4.782 4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.281 -4.599 2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.154 -6.815 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.814 -5.220 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.848 -5.804 3.585 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.842 -3.268 6.739 1.00 0.00 N ATOM 1037 CA LYS A 73 -8.973 -3.210 7.908 1.00 0.00 C ATOM 1038 C LYS A 73 -8.842 -4.572 8.579 1.00 0.00 C ATOM 1039 O LYS A 73 -9.759 -5.032 9.259 1.00 0.00 O ATOM 1040 CB LYS A 73 -9.507 -2.189 8.913 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.718 -2.140 10.213 1.00 0.00 C ATOM 1042 CD LYS A 73 -9.253 -1.073 11.156 1.00 0.00 C ATOM 1043 CE LYS A 73 -10.649 -1.410 11.651 1.00 0.00 C ATOM 1044 NZ LYS A 73 -11.179 -0.370 12.574 1.00 0.00 N ATOM 0 H LYS A 73 -10.794 -2.942 6.905 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.984 -2.904 7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.496 -1.200 8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.547 -2.424 9.138 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.762 -3.113 10.702 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.669 -1.940 9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.580 -0.969 12.007 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.271 -0.111 10.644 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.320 -1.515 10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.630 -2.373 12.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.133 -0.639 12.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.553 -0.287 13.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.222 0.544 12.079 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.695 -5.215 8.379 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.435 -6.512 8.987 1.00 0.00 C ATOM 1060 C ALA A 74 -7.023 -6.335 10.449 1.00 0.00 C ATOM 1061 O ALA A 74 -6.017 -5.677 10.740 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.351 -7.252 8.215 1.00 0.00 C ATOM 0 H ALA A 74 -6.934 -4.858 7.802 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.349 -7.105 8.951 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.168 -8.220 8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.675 -7.401 7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.433 -6.665 8.225 1.00 0.00 H new ATOM 1068 N PRO A 75 -7.788 -6.929 11.389 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.508 -6.825 12.824 1.00 0.00 C ATOM 1070 C PRO A 75 -6.366 -7.728 13.268 1.00 0.00 C ATOM 1071 O PRO A 75 -6.123 -8.778 12.672 1.00 0.00 O ATOM 1072 CB PRO A 75 -8.819 -7.272 13.460 1.00 0.00 C ATOM 1073 CG PRO A 75 -9.358 -8.260 12.497 1.00 0.00 C ATOM 1074 CD PRO A 75 -8.991 -7.746 11.132 1.00 0.00 C ATOM 0 HA PRO A 75 -7.192 -5.821 13.107 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.656 -7.717 14.442 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.503 -6.434 13.599 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -8.931 -9.248 12.670 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.439 -8.357 12.600 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.783 -8.560 10.438 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.795 -7.153 10.696 1.00 0.00 H new ATOM 1082 N GLN A 76 -5.668 -7.311 14.322 1.00 0.00 N ATOM 1083 CA GLN A 76 -4.544 -8.076 14.851 1.00 0.00 C ATOM 1084 C GLN A 76 -3.507 -8.326 13.761 1.00 0.00 C ATOM 1085 O GLN A 76 -2.623 -9.172 13.904 1.00 0.00 O ATOM 1086 CB GLN A 76 -5.035 -9.404 15.434 1.00 0.00 C ATOM 1087 CG GLN A 76 -3.991 -10.127 16.267 1.00 0.00 C ATOM 1088 CD GLN A 76 -4.564 -11.302 17.033 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -5.735 -11.299 17.412 1.00 0.00 O ATOM 1090 NE2 GLN A 76 -3.739 -12.316 17.268 1.00 0.00 N ATOM 0 H GLN A 76 -5.862 -6.446 14.826 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.075 -7.497 15.646 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.914 -9.217 16.051 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.351 -10.054 14.618 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.192 -10.479 15.615 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.543 -9.425 16.970 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.775 -12.277 16.936 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.069 -13.134 17.781 1.00 0.00 H new ATOM 1099 N GLY A 77 -3.622 -7.575 12.671 1.00 0.00 N ATOM 1100 CA GLY A 77 -2.699 -7.725 11.564 1.00 0.00 C ATOM 1101 C GLY A 77 -2.763 -9.103 10.943 1.00 0.00 C ATOM 1102 O GLY A 77 -3.659 -9.890 11.248 1.00 0.00 O ATOM 0 H GLY A 77 -4.340 -6.864 12.535 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.922 -6.976 10.804 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.684 -7.533 11.912 1.00 0.00 H new ATOM 1106 N LYS A 78 -1.809 -9.394 10.070 1.00 0.00 N ATOM 1107 CA LYS A 78 -1.752 -10.686 9.401 1.00 0.00 C ATOM 1108 C LYS A 78 -0.312 -11.185 9.329 1.00 0.00 C ATOM 1109 O LYS A 78 0.623 -10.389 9.265 1.00 0.00 O ATOM 1110 CB LYS A 78 -2.356 -10.582 7.998 1.00 0.00 C ATOM 1111 CG LYS A 78 -2.219 -11.854 7.175 1.00 0.00 C ATOM 1112 CD LYS A 78 -2.859 -11.708 5.807 1.00 0.00 C ATOM 1113 CE LYS A 78 -4.366 -11.577 5.908 1.00 0.00 C ATOM 1114 NZ LYS A 78 -4.983 -12.748 6.589 1.00 0.00 N ATOM 0 H LYS A 78 -1.062 -8.751 9.808 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.335 -11.404 9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.413 -10.329 8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.875 -9.762 7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.164 -12.100 7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.683 -12.684 7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.450 -10.831 5.305 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.609 -12.573 5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.615 -10.667 6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.789 -11.475 4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.003 -12.768 6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.544 -13.624 6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.833 -12.672 7.615 1.00 0.00 H new ATOM 1128 N ASN A 79 -0.149 -12.507 9.350 1.00 0.00 N ATOM 1129 CA ASN A 79 1.173 -13.128 9.293 1.00 0.00 C ATOM 1130 C ASN A 79 1.950 -12.882 10.585 1.00 0.00 C ATOM 1131 O ASN A 79 2.049 -13.767 11.436 1.00 0.00 O ATOM 1132 CB ASN A 79 1.967 -12.606 8.091 1.00 0.00 C ATOM 1133 CG ASN A 79 1.249 -12.848 6.778 1.00 0.00 C ATOM 1134 OD1 ASN A 79 0.519 -13.828 6.626 1.00 0.00 O ATOM 1135 ND2 ASN A 79 1.452 -11.951 5.819 1.00 0.00 N ATOM 0 H ASN A 79 -0.921 -13.172 9.406 1.00 0.00 H new ATOM 0 HA ASN A 79 1.031 -14.202 9.177 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.146 -11.538 8.213 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.942 -13.092 8.064 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.995 -12.060 4.914 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.065 -11.154 5.988 1.00 0.00 H new ATOM 1142 N GLN A 80 2.497 -11.678 10.727 1.00 0.00 N ATOM 1143 CA GLN A 80 3.264 -11.321 11.918 1.00 0.00 C ATOM 1144 C GLN A 80 3.060 -9.852 12.277 1.00 0.00 C ATOM 1145 O GLN A 80 3.828 -9.280 13.053 1.00 0.00 O ATOM 1146 CB GLN A 80 4.753 -11.597 11.693 1.00 0.00 C ATOM 1147 CG GLN A 80 5.084 -13.070 11.496 1.00 0.00 C ATOM 1148 CD GLN A 80 4.942 -13.883 12.769 1.00 0.00 C ATOM 1149 OE1 GLN A 80 4.127 -13.568 13.636 1.00 0.00 O ATOM 1150 NE2 GLN A 80 5.738 -14.939 12.886 1.00 0.00 N ATOM 0 H GLN A 80 2.424 -10.934 10.034 1.00 0.00 H new ATOM 0 HA GLN A 80 2.907 -11.934 12.746 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.088 -11.039 10.818 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.316 -11.219 12.547 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.428 -13.485 10.731 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.105 -13.161 11.125 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.399 -15.164 12.143 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.688 -15.525 13.719 1.00 0.00 H new ATOM 1159 N LYS A 81 2.019 -9.249 11.714 1.00 0.00 N ATOM 1160 CA LYS A 81 1.715 -7.846 11.967 1.00 0.00 C ATOM 1161 C LYS A 81 0.562 -7.693 12.956 1.00 0.00 C ATOM 1162 O LYS A 81 -0.014 -8.679 13.416 1.00 0.00 O ATOM 1163 CB LYS A 81 1.365 -7.147 10.655 1.00 0.00 C ATOM 1164 CG LYS A 81 2.547 -6.990 9.720 1.00 0.00 C ATOM 1165 CD LYS A 81 3.568 -6.014 10.276 1.00 0.00 C ATOM 1166 CE LYS A 81 4.782 -5.909 9.371 1.00 0.00 C ATOM 1167 NZ LYS A 81 5.732 -4.859 9.832 1.00 0.00 N ATOM 0 H LYS A 81 1.370 -9.712 11.078 1.00 0.00 H new ATOM 0 HA LYS A 81 2.600 -7.385 12.406 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.584 -7.713 10.148 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.953 -6.162 10.876 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.018 -7.960 9.561 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.200 -6.641 8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.110 -5.031 10.389 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.879 -6.337 11.269 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.293 -6.871 9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.458 -5.684 8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.547 -4.820 9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.252 -3.936 9.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.062 -5.086 10.792 1.00 0.00 H new ATOM 1181 N SER A 82 0.235 -6.443 13.278 1.00 0.00 N ATOM 1182 CA SER A 82 -0.853 -6.139 14.201 1.00 0.00 C ATOM 1183 C SER A 82 -1.878 -5.229 13.532 1.00 0.00 C ATOM 1184 O SER A 82 -3.055 -5.222 13.896 1.00 0.00 O ATOM 1185 CB SER A 82 -0.308 -5.474 15.467 1.00 0.00 C ATOM 1186 OG SER A 82 0.614 -6.319 16.131 1.00 0.00 O ATOM 0 H SER A 82 0.713 -5.620 12.910 1.00 0.00 H new ATOM 0 HA SER A 82 -1.341 -7.073 14.478 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.178 -4.534 15.207 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.132 -5.232 16.138 1.00 0.00 H new ATOM 0 HG SER A 82 0.949 -5.870 16.935 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.415 -4.461 12.553 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.271 -3.544 11.808 1.00 0.00 C ATOM 1194 C PHE A 83 -2.086 -3.767 10.311 1.00 0.00 C ATOM 1195 O PHE A 83 -1.094 -3.323 9.732 1.00 0.00 O ATOM 1196 CB PHE A 83 -1.936 -2.096 12.162 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.802 -1.839 13.636 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -2.848 -2.114 14.503 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.626 -1.321 14.155 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.723 -1.876 15.858 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.495 -1.081 15.508 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.545 -1.359 16.362 1.00 0.00 C ATOM 0 H PHE A 83 -0.440 -4.456 12.254 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.310 -3.738 12.076 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.004 -1.820 11.670 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.713 -1.446 11.760 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.771 -2.519 14.115 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.198 -1.102 13.492 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.546 -2.094 16.523 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.427 -0.676 15.899 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.445 -1.173 17.421 1.00 0.00 H new ATOM 1212 N VAL A 84 -3.035 -4.456 9.683 1.00 0.00 N ATOM 1213 CA VAL A 84 -2.936 -4.741 8.254 1.00 0.00 C ATOM 1214 C VAL A 84 -4.195 -4.324 7.503 1.00 0.00 C ATOM 1215 O VAL A 84 -5.295 -4.363 8.046 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.676 -6.244 8.009 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.834 -6.599 6.537 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.295 -6.635 8.509 1.00 0.00 C ATOM 0 H VAL A 84 -3.872 -4.824 10.134 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.097 -4.158 7.876 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.421 -6.809 8.570 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.645 -7.663 6.397 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.848 -6.365 6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.122 -6.023 5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.130 -7.697 8.328 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.539 -6.055 7.980 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.225 -6.434 9.578 1.00 0.00 H new ATOM 1228 N PHE A 85 -4.012 -3.909 6.252 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.120 -3.510 5.393 1.00 0.00 C ATOM 1230 C PHE A 85 -4.986 -4.198 4.040 1.00 0.00 C ATOM 1231 O PHE A 85 -3.964 -4.066 3.367 1.00 0.00 O ATOM 1232 CB PHE A 85 -5.157 -1.992 5.209 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.809 -1.260 6.346 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -5.259 -1.292 7.616 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -6.971 -0.538 6.140 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.857 -0.612 8.661 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.574 0.143 7.178 1.00 0.00 C ATOM 1238 CZ PHE A 85 -7.016 0.106 8.440 1.00 0.00 C ATOM 0 H PHE A 85 -3.096 -3.841 5.808 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.053 -3.813 5.868 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.138 -1.625 5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.690 -1.760 4.287 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.354 -1.854 7.792 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.412 -0.507 5.155 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.419 -0.642 9.648 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.480 0.704 7.003 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.485 0.638 9.254 1.00 0.00 H new ATOM 1248 N ILE A 86 -6.019 -4.931 3.642 1.00 0.00 N ATOM 1249 CA ILE A 86 -5.990 -5.663 2.381 1.00 0.00 C ATOM 1250 C ILE A 86 -6.766 -4.957 1.274 1.00 0.00 C ATOM 1251 O ILE A 86 -7.821 -4.370 1.510 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.573 -7.079 2.557 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -5.851 -7.818 3.684 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -6.474 -7.860 1.254 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -6.489 -9.142 4.042 1.00 0.00 C ATOM 0 H ILE A 86 -6.884 -5.034 4.172 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.941 -5.716 2.088 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.626 -6.990 2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.816 -7.990 3.390 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.830 -7.183 4.569 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.890 -8.858 1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.033 -7.341 0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.428 -7.942 0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.925 -9.611 4.848 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.516 -8.975 4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.486 -9.795 3.169 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.219 -5.016 0.063 1.00 0.00 N ATOM 1268 CA LEU A 87 -6.864 -4.431 -1.104 1.00 0.00 C ATOM 1269 C LEU A 87 -7.541 -5.531 -1.909 1.00 0.00 C ATOM 1270 O LEU A 87 -6.922 -6.548 -2.225 1.00 0.00 O ATOM 1271 CB LEU A 87 -5.849 -3.692 -1.982 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.375 -2.341 -1.443 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.375 -1.709 -2.400 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.555 -1.409 -1.219 1.00 0.00 C ATOM 0 H LEU A 87 -5.325 -5.466 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.607 -3.709 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.979 -4.334 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.291 -3.536 -2.966 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.882 -2.508 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.048 -0.749 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.514 -2.367 -2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.846 -1.558 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.196 -0.454 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.076 -1.249 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.240 -1.856 -0.498 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.809 -5.329 -2.237 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.564 -6.320 -2.988 1.00 0.00 C ATOM 1288 C GLU A 88 -9.954 -5.776 -4.359 1.00 0.00 C ATOM 1289 O GLU A 88 -10.872 -4.964 -4.474 1.00 0.00 O ATOM 1290 CB GLU A 88 -10.813 -6.736 -2.209 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.507 -7.337 -0.846 1.00 0.00 C ATOM 1292 CD GLU A 88 -11.759 -7.721 -0.083 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.288 -6.866 0.657 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.211 -8.877 -0.227 1.00 0.00 O ATOM 0 H GLU A 88 -9.335 -4.489 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.931 -7.196 -3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.456 -5.866 -2.077 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.375 -7.461 -2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.880 -8.219 -0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.933 -6.621 -0.258 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.255 -6.219 -5.419 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.527 -5.768 -6.787 1.00 0.00 C ATOM 1303 C PRO A 89 -10.949 -6.085 -7.233 1.00 0.00 C ATOM 1304 O PRO A 89 -11.567 -7.033 -6.749 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.515 -6.545 -7.636 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.091 -7.690 -6.784 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.155 -7.195 -5.373 1.00 0.00 C ATOM 0 HA PRO A 89 -9.435 -4.686 -6.879 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.965 -6.891 -8.566 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.665 -5.919 -7.907 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.748 -8.548 -6.927 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.082 -8.014 -7.039 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.360 -8.002 -4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.217 -6.733 -5.063 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.458 -5.282 -8.159 1.00 0.00 N ATOM 1316 CA LYS A 90 -12.804 -5.466 -8.680 1.00 0.00 C ATOM 1317 C LYS A 90 -12.764 -5.732 -10.180 1.00 0.00 C ATOM 1318 O LYS A 90 -13.803 -5.915 -10.815 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.655 -4.227 -8.398 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.560 -3.734 -6.964 1.00 0.00 C ATOM 1321 CD LYS A 90 -14.386 -2.475 -6.747 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.874 -2.744 -6.907 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.689 -1.519 -6.679 1.00 0.00 N ATOM 0 H LYS A 90 -10.955 -4.493 -8.566 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.250 -6.326 -8.181 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.347 -3.425 -9.070 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.697 -4.453 -8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.903 -4.516 -6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.518 -3.533 -6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.193 -2.080 -5.749 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.076 -1.709 -7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -16.068 -3.127 -7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.180 -3.519 -6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.697 -1.746 -6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.524 -1.167 -5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -16.416 -0.787 -7.366 1.00 0.00 H new ATOM 1337 N GLN A 91 -11.558 -5.752 -10.738 1.00 0.00 N ATOM 1338 CA GLN A 91 -11.386 -5.991 -12.169 1.00 0.00 C ATOM 1339 C GLN A 91 -11.956 -7.350 -12.571 1.00 0.00 C ATOM 1340 O GLN A 91 -13.067 -7.433 -13.094 1.00 0.00 O ATOM 1341 CB GLN A 91 -9.908 -5.898 -12.555 1.00 0.00 C ATOM 1342 CG GLN A 91 -9.639 -6.211 -14.019 1.00 0.00 C ATOM 1343 CD GLN A 91 -8.173 -6.076 -14.388 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -7.678 -6.779 -15.269 1.00 0.00 O ATOM 1345 NE2 GLN A 91 -7.473 -5.168 -13.718 1.00 0.00 N ATOM 0 H GLN A 91 -10.688 -5.607 -10.225 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.937 -5.219 -12.707 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.546 -4.894 -12.335 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.335 -6.587 -11.934 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.972 -7.226 -14.236 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -10.230 -5.541 -14.644 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -7.925 -4.607 -12.995 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -6.484 -5.031 -13.926 1.00 0.00 H new ATOM 1354 N GLN A 92 -11.193 -8.411 -12.326 1.00 0.00 N ATOM 1355 CA GLN A 92 -11.635 -9.759 -12.668 1.00 0.00 C ATOM 1356 C GLN A 92 -10.956 -10.815 -11.797 1.00 0.00 C ATOM 1357 O GLN A 92 -9.933 -11.384 -12.180 1.00 0.00 O ATOM 1358 CB GLN A 92 -11.358 -10.049 -14.143 1.00 0.00 C ATOM 1359 CG GLN A 92 -12.618 -10.231 -14.973 1.00 0.00 C ATOM 1360 CD GLN A 92 -12.324 -10.498 -16.437 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -13.080 -11.194 -17.116 1.00 0.00 O ATOM 1362 NE2 GLN A 92 -11.222 -9.945 -16.934 1.00 0.00 N ATOM 0 H GLN A 92 -10.270 -8.364 -11.894 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.708 -9.809 -12.482 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.772 -9.231 -14.562 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -10.749 -10.950 -14.220 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.199 -11.059 -14.567 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -13.236 -9.337 -14.888 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -10.623 -9.375 -16.336 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.975 -10.091 -17.913 1.00 0.00 H new ATOM 1371 N GLY A 93 -11.532 -11.064 -10.625 1.00 0.00 N ATOM 1372 CA GLY A 93 -10.988 -12.058 -9.714 1.00 0.00 C ATOM 1373 C GLY A 93 -9.498 -11.903 -9.471 1.00 0.00 C ATOM 1374 O GLY A 93 -8.831 -12.854 -9.061 1.00 0.00 O ATOM 0 H GLY A 93 -12.371 -10.592 -10.287 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.513 -11.992 -8.761 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.181 -13.053 -10.116 1.00 0.00 H new ATOM 1378 N ASP A 94 -8.973 -10.708 -9.724 1.00 0.00 N ATOM 1379 CA ASP A 94 -7.551 -10.441 -9.523 1.00 0.00 C ATOM 1380 C ASP A 94 -7.143 -10.741 -8.079 1.00 0.00 C ATOM 1381 O ASP A 94 -7.988 -10.769 -7.185 1.00 0.00 O ATOM 1382 CB ASP A 94 -7.233 -8.984 -9.868 1.00 0.00 C ATOM 1383 CG ASP A 94 -8.251 -8.380 -10.811 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -9.324 -7.960 -10.330 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -7.978 -8.331 -12.028 1.00 0.00 O ATOM 0 H ASP A 94 -9.508 -9.911 -10.068 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.982 -11.094 -10.185 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.197 -8.396 -8.951 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.243 -8.928 -10.322 1.00 0.00 H new ATOM 1390 N PRO A 95 -5.839 -10.970 -7.832 1.00 0.00 N ATOM 1391 CA PRO A 95 -5.331 -11.273 -6.490 1.00 0.00 C ATOM 1392 C PRO A 95 -5.294 -10.047 -5.577 1.00 0.00 C ATOM 1393 O PRO A 95 -5.118 -8.922 -6.046 1.00 0.00 O ATOM 1394 CB PRO A 95 -3.913 -11.777 -6.760 1.00 0.00 C ATOM 1395 CG PRO A 95 -3.508 -11.097 -8.021 1.00 0.00 C ATOM 1396 CD PRO A 95 -4.761 -10.955 -8.840 1.00 0.00 C ATOM 0 HA PRO A 95 -5.968 -11.988 -5.969 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.240 -11.526 -5.940 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.892 -12.861 -6.869 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.066 -10.123 -7.813 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.758 -11.680 -8.555 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.762 -10.028 -9.414 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.868 -11.772 -9.554 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.461 -10.252 -4.254 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.441 -9.167 -3.273 1.00 0.00 C ATOM 1406 C PRO A 96 -4.023 -8.806 -2.837 1.00 0.00 C ATOM 1407 O PRO A 96 -3.072 -9.532 -3.128 1.00 0.00 O ATOM 1408 CB PRO A 96 -6.224 -9.758 -2.107 1.00 0.00 C ATOM 1409 CG PRO A 96 -5.926 -11.218 -2.159 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.692 -11.561 -3.611 1.00 0.00 C ATOM 0 HA PRO A 96 -5.857 -8.240 -3.668 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.911 -9.323 -1.158 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.292 -9.567 -2.209 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.048 -11.455 -1.559 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.755 -11.797 -1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.834 -12.222 -3.732 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.552 -12.072 -4.044 1.00 0.00 H new ATOM 1418 N VAL A 97 -3.886 -7.681 -2.137 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.580 -7.230 -1.663 1.00 0.00 C ATOM 1420 C VAL A 97 -2.639 -6.803 -0.198 1.00 0.00 C ATOM 1421 O VAL A 97 -3.509 -6.028 0.198 1.00 0.00 O ATOM 1422 CB VAL A 97 -2.051 -6.056 -2.509 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.647 -5.668 -2.071 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -2.076 -6.407 -3.989 1.00 0.00 C ATOM 0 H VAL A 97 -4.661 -7.067 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.900 -8.076 -1.762 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.706 -5.199 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.292 -4.837 -2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.663 -5.368 -1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.021 -6.520 -2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.699 -5.565 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.448 -7.280 -4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.099 -6.628 -4.293 1.00 0.00 H new ATOM 1434 N GLU A 98 -1.704 -7.311 0.603 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.651 -6.985 2.026 1.00 0.00 C ATOM 1436 C GLU A 98 -0.640 -5.875 2.303 1.00 0.00 C ATOM 1437 O GLU A 98 0.443 -5.848 1.717 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.283 -8.225 2.844 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.367 -9.289 2.876 1.00 0.00 C ATOM 1440 CD GLU A 98 -2.700 -9.833 1.501 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -1.979 -10.738 1.031 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -3.682 -9.355 0.894 1.00 0.00 O ATOM 0 H GLU A 98 -0.973 -7.950 0.290 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.640 -6.635 2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.372 -8.661 2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.058 -7.920 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.045 -10.109 3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.268 -8.869 3.323 1.00 0.00 H new ATOM 1449 N PHE A 99 -1.004 -4.959 3.198 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.125 -3.851 3.565 1.00 0.00 C ATOM 1451 C PHE A 99 0.020 -3.761 5.083 1.00 0.00 C ATOM 1452 O PHE A 99 -0.817 -4.276 5.824 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.677 -2.531 3.029 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.819 -2.477 1.535 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.860 -3.133 0.900 1.00 0.00 C ATOM 1456 CD2 PHE A 99 0.082 -1.758 0.768 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -1.999 -3.074 -0.472 1.00 0.00 C ATOM 1458 CE2 PHE A 99 -0.050 -1.697 -0.606 1.00 0.00 C ATOM 1459 CZ PHE A 99 -1.093 -2.355 -1.227 1.00 0.00 C ATOM 0 H PHE A 99 -1.902 -4.962 3.682 1.00 0.00 H new ATOM 0 HA PHE A 99 0.854 -4.037 3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.652 -2.349 3.481 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.021 -1.721 3.349 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.571 -3.697 1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.898 -1.239 1.249 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.816 -3.590 -0.955 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.661 -1.136 -1.193 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.200 -2.308 -2.301 1.00 0.00 H new ATOM 1469 N ALA A 100 1.083 -3.103 5.545 1.00 0.00 N ATOM 1470 CA ALA A 100 1.319 -2.952 6.979 1.00 0.00 C ATOM 1471 C ALA A 100 2.233 -1.764 7.279 1.00 0.00 C ATOM 1472 O ALA A 100 2.979 -1.305 6.415 1.00 0.00 O ATOM 1473 CB ALA A 100 1.912 -4.229 7.550 1.00 0.00 C ATOM 0 H ALA A 100 1.790 -2.669 4.951 1.00 0.00 H new ATOM 0 HA ALA A 100 0.358 -2.758 7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.083 -4.104 8.619 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.220 -5.056 7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.858 -4.444 7.054 1.00 0.00 H new ATOM 1479 N THR A 101 2.163 -1.275 8.516 1.00 0.00 N ATOM 1480 CA THR A 101 2.982 -0.146 8.951 1.00 0.00 C ATOM 1481 C THR A 101 3.769 -0.499 10.210 1.00 0.00 C ATOM 1482 O THR A 101 3.844 -1.665 10.600 1.00 0.00 O ATOM 1483 CB THR A 101 2.123 1.101 9.236 1.00 0.00 C ATOM 1484 OG1 THR A 101 1.127 0.796 10.219 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.453 1.603 7.966 1.00 0.00 C ATOM 0 H THR A 101 1.544 -1.645 9.237 1.00 0.00 H new ATOM 0 HA THR A 101 3.671 0.077 8.136 1.00 0.00 H new ATOM 0 HB THR A 101 2.779 1.886 9.614 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.187 1.440 10.956 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.853 2.484 8.195 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.215 1.864 7.231 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.811 0.822 7.560 1.00 0.00 H new ATOM 1493 N ASP A 102 4.356 0.514 10.843 1.00 0.00 N ATOM 1494 CA ASP A 102 5.135 0.309 12.060 1.00 0.00 C ATOM 1495 C ASP A 102 4.646 1.222 13.179 1.00 0.00 C ATOM 1496 O ASP A 102 5.154 1.170 14.300 1.00 0.00 O ATOM 1497 CB ASP A 102 6.618 0.562 11.790 1.00 0.00 C ATOM 1498 CG ASP A 102 7.173 -0.343 10.709 1.00 0.00 C ATOM 1499 OD1 ASP A 102 7.079 0.028 9.521 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.700 -1.421 11.052 1.00 0.00 O ATOM 0 H ASP A 102 4.307 1.484 10.533 1.00 0.00 H new ATOM 0 HA ASP A 102 5.003 -0.726 12.376 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.758 1.602 11.496 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.182 0.412 12.710 1.00 0.00 H new ATOM 1505 N ARG A 103 3.660 2.057 12.869 1.00 0.00 N ATOM 1506 CA ARG A 103 3.104 2.985 13.848 1.00 0.00 C ATOM 1507 C ARG A 103 1.590 3.081 13.700 1.00 0.00 C ATOM 1508 O ARG A 103 1.028 2.645 12.696 1.00 0.00 O ATOM 1509 CB ARG A 103 3.726 4.372 13.685 1.00 0.00 C ATOM 1510 CG ARG A 103 5.247 4.369 13.706 1.00 0.00 C ATOM 1511 CD ARG A 103 5.810 5.771 13.547 1.00 0.00 C ATOM 1512 NE ARG A 103 7.271 5.780 13.555 1.00 0.00 N ATOM 1513 CZ ARG A 103 8.002 6.890 13.518 1.00 0.00 C ATOM 1514 NH1 ARG A 103 7.411 8.076 13.473 1.00 0.00 N ATOM 1515 NH2 ARG A 103 9.325 6.813 13.529 1.00 0.00 N ATOM 0 H ARG A 103 3.229 2.110 11.946 1.00 0.00 H new ATOM 0 HA ARG A 103 3.337 2.605 14.843 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.386 4.804 12.744 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.362 5.019 14.483 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.598 3.939 14.644 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.622 3.733 12.904 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.450 6.202 12.613 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.439 6.404 14.353 1.00 0.00 H new ATOM 0 HE ARG A 103 7.758 4.884 13.591 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.393 8.139 13.467 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.974 8.926 13.445 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.783 5.902 13.566 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.886 7.665 13.501 1.00 0.00 H new ATOM 1529 N VAL A 104 0.937 3.655 14.705 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.513 3.810 14.686 1.00 0.00 C ATOM 1531 C VAL A 104 -0.927 4.981 13.800 1.00 0.00 C ATOM 1532 O VAL A 104 -1.940 4.917 13.103 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.070 4.034 16.104 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -2.590 4.000 16.095 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -0.511 2.994 17.063 1.00 0.00 C ATOM 0 H VAL A 104 1.389 4.021 15.543 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.927 2.886 14.282 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.757 5.020 16.447 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.964 4.160 17.106 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.968 4.785 15.440 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.930 3.030 15.732 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.914 3.166 18.061 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.794 1.997 16.724 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.576 3.073 17.092 1.00 0.00 H new ATOM 1545 N GLU A 105 -0.137 6.051 13.834 1.00 0.00 N ATOM 1546 CA GLU A 105 -0.422 7.235 13.033 1.00 0.00 C ATOM 1547 C GLU A 105 -0.294 6.925 11.547 1.00 0.00 C ATOM 1548 O GLU A 105 -1.213 7.181 10.773 1.00 0.00 O ATOM 1549 CB GLU A 105 0.521 8.380 13.412 1.00 0.00 C ATOM 1550 CG GLU A 105 0.385 8.834 14.858 1.00 0.00 C ATOM 1551 CD GLU A 105 0.940 7.824 15.844 1.00 0.00 C ATOM 1552 OE1 GLU A 105 2.174 7.803 16.040 1.00 0.00 O ATOM 1553 OE2 GLU A 105 0.143 7.056 16.420 1.00 0.00 O ATOM 0 H GLU A 105 0.704 6.121 14.407 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.448 7.542 13.237 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.549 8.065 13.235 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.330 9.228 12.755 1.00 0.00 H new ATOM 0 HG2 GLU A 105 0.904 9.784 14.986 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -0.667 9.013 15.081 1.00 0.00 H new ATOM 1560 N GLU A 106 0.852 6.379 11.151 1.00 0.00 N ATOM 1561 CA GLU A 106 1.084 6.027 9.754 1.00 0.00 C ATOM 1562 C GLU A 106 0.048 5.010 9.293 1.00 0.00 C ATOM 1563 O GLU A 106 -0.337 4.981 8.127 1.00 0.00 O ATOM 1564 CB GLU A 106 2.487 5.446 9.570 1.00 0.00 C ATOM 1565 CG GLU A 106 3.585 6.273 10.215 1.00 0.00 C ATOM 1566 CD GLU A 106 3.701 7.661 9.614 1.00 0.00 C ATOM 1567 OE1 GLU A 106 4.460 7.822 8.636 1.00 0.00 O ATOM 1568 OE2 GLU A 106 3.033 8.585 10.124 1.00 0.00 O ATOM 0 H GLU A 106 1.632 6.171 11.775 1.00 0.00 H new ATOM 0 HA GLU A 106 0.996 6.933 9.154 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.511 4.440 9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.694 5.353 8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.389 6.359 11.284 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.537 5.754 10.106 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.394 4.177 10.227 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.388 3.153 9.938 1.00 0.00 C ATOM 1577 C LEU A 107 -2.653 3.784 9.369 1.00 0.00 C ATOM 1578 O LEU A 107 -3.086 3.456 8.262 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.709 2.377 11.222 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.457 1.049 11.049 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -3.954 1.276 10.933 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -1.940 0.279 9.844 1.00 0.00 C ATOM 0 H LEU A 107 -0.077 4.192 11.196 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.987 2.465 9.194 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.773 2.176 11.743 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.303 3.021 11.871 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.271 0.449 11.940 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.459 0.318 10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -4.319 1.766 11.836 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.160 1.907 10.069 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.489 -0.657 9.748 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.080 0.876 8.943 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.879 0.065 9.976 1.00 0.00 H new ATOM 1594 N PHE A 108 -3.226 4.713 10.124 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.444 5.391 9.707 1.00 0.00 C ATOM 1596 C PHE A 108 -4.170 6.374 8.575 1.00 0.00 C ATOM 1597 O PHE A 108 -4.923 6.441 7.616 1.00 0.00 O ATOM 1598 CB PHE A 108 -5.068 6.135 10.889 1.00 0.00 C ATOM 1599 CG PHE A 108 -6.569 6.132 10.876 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -7.277 5.055 11.385 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -7.273 7.206 10.357 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -8.659 5.049 11.375 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -8.656 7.206 10.344 1.00 0.00 C ATOM 1604 CZ PHE A 108 -9.349 6.126 10.854 1.00 0.00 C ATOM 0 H PHE A 108 -2.865 5.014 11.029 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.138 4.632 9.346 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -4.720 5.682 11.817 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.715 7.166 10.886 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.743 4.210 11.794 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.736 8.053 9.958 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -9.199 4.203 11.774 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.193 8.049 9.936 1.00 0.00 H new ATOM 0 HZ PHE A 108 -10.429 6.123 10.845 1.00 0.00 H new ATOM 1614 N GLU A 109 -3.081 7.122 8.693 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.716 8.125 7.694 1.00 0.00 C ATOM 1616 C GLU A 109 -2.552 7.531 6.294 1.00 0.00 C ATOM 1617 O GLU A 109 -3.237 7.936 5.351 1.00 0.00 O ATOM 1618 CB GLU A 109 -1.417 8.815 8.115 1.00 0.00 C ATOM 1619 CG GLU A 109 -0.872 9.785 7.080 1.00 0.00 C ATOM 1620 CD GLU A 109 0.332 10.558 7.581 1.00 0.00 C ATOM 1621 OE1 GLU A 109 0.138 11.645 8.167 1.00 0.00 O ATOM 1622 OE2 GLU A 109 1.469 10.078 7.388 1.00 0.00 O ATOM 0 H GLU A 109 -2.429 7.054 9.475 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.532 8.845 7.644 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.588 9.352 9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.663 8.055 8.319 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -0.597 9.234 6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.657 10.486 6.796 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.651 6.564 6.166 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.372 5.935 4.878 1.00 0.00 C ATOM 1631 C TRP A 110 -2.600 5.252 4.282 1.00 0.00 C ATOM 1632 O TRP A 110 -2.924 5.458 3.112 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.239 4.920 5.019 1.00 0.00 C ATOM 1634 CG TRP A 110 1.081 5.433 4.536 1.00 0.00 C ATOM 1635 CD1 TRP A 110 2.130 5.857 5.302 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.497 5.577 3.172 1.00 0.00 C ATOM 1637 NE1 TRP A 110 3.171 6.253 4.497 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.806 6.089 3.187 1.00 0.00 C ATOM 1639 CE3 TRP A 110 0.887 5.318 1.940 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.516 6.348 2.019 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.595 5.577 0.781 1.00 0.00 C ATOM 1642 CH2 TRP A 110 2.898 6.086 0.829 1.00 0.00 C ATOM 0 H TRP A 110 -1.099 6.197 6.941 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.075 6.731 4.195 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.147 4.632 6.066 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.496 4.019 4.462 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.140 5.878 6.382 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.069 6.611 4.822 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.117 4.923 1.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.521 6.742 2.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.135 5.383 -0.177 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.426 6.276 -0.094 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.281 4.441 5.079 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.451 3.723 4.593 1.00 0.00 C ATOM 1655 C PHE A 111 -5.636 4.653 4.354 1.00 0.00 C ATOM 1656 O PHE A 111 -6.464 4.393 3.481 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.806 2.587 5.546 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.788 1.484 5.491 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.405 0.952 4.270 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -3.198 0.996 6.643 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.458 -0.045 4.201 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -2.245 -0.004 6.578 1.00 0.00 C ATOM 1663 CZ PHE A 111 -1.876 -0.525 5.356 1.00 0.00 C ATOM 0 H PHE A 111 -3.047 4.264 6.056 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.202 3.291 3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.872 2.972 6.564 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.788 2.190 5.291 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.855 1.324 3.361 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.484 1.400 7.603 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.171 -0.451 3.242 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.790 -0.377 7.484 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.133 -1.307 5.303 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.719 5.734 5.121 1.00 0.00 N ATOM 1674 CA GLN A 112 -6.805 6.695 4.953 1.00 0.00 C ATOM 1675 C GLN A 112 -6.758 7.280 3.548 1.00 0.00 C ATOM 1676 O GLN A 112 -7.795 7.524 2.933 1.00 0.00 O ATOM 1677 CB GLN A 112 -6.708 7.811 5.999 1.00 0.00 C ATOM 1678 CG GLN A 112 -7.931 8.709 6.066 1.00 0.00 C ATOM 1679 CD GLN A 112 -7.801 9.952 5.206 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -7.109 9.950 4.188 1.00 0.00 O ATOM 1681 NE2 GLN A 112 -8.471 11.023 5.611 1.00 0.00 N ATOM 0 H GLN A 112 -5.054 5.967 5.859 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.755 6.180 5.095 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.547 7.362 6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -5.833 8.423 5.781 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -8.808 8.144 5.749 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.101 9.006 7.101 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -9.033 10.982 6.461 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -8.424 11.888 5.072 1.00 0.00 H new ATOM 1690 N SER A 113 -5.545 7.506 3.045 1.00 0.00 N ATOM 1691 CA SER A 113 -5.368 8.043 1.701 1.00 0.00 C ATOM 1692 C SER A 113 -5.782 7.002 0.666 1.00 0.00 C ATOM 1693 O SER A 113 -6.496 7.315 -0.287 1.00 0.00 O ATOM 1694 CB SER A 113 -3.916 8.469 1.472 1.00 0.00 C ATOM 1695 OG SER A 113 -3.050 7.350 1.444 1.00 0.00 O ATOM 0 H SER A 113 -4.676 7.326 3.547 1.00 0.00 H new ATOM 0 HA SER A 113 -6.002 8.923 1.594 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.839 9.015 0.532 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.606 9.152 2.263 1.00 0.00 H new ATOM 0 HG SER A 113 -3.279 6.741 2.177 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.325 5.762 0.852 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.683 4.683 -0.062 1.00 0.00 C ATOM 1703 C ILE A 114 -7.200 4.541 -0.111 1.00 0.00 C ATOM 1704 O ILE A 114 -7.777 4.224 -1.152 1.00 0.00 O ATOM 1705 CB ILE A 114 -5.055 3.331 0.357 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.522 3.421 0.339 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.538 2.217 -0.562 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.821 2.119 0.684 1.00 0.00 C ATOM 0 H ILE A 114 -4.713 5.485 1.619 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.291 4.941 -1.046 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.371 3.101 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.199 3.744 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.205 4.190 1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.089 1.272 -0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.623 2.139 -0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.248 2.441 -1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.742 2.267 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.112 1.804 1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.106 1.351 -0.035 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.835 4.786 1.031 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.286 4.713 1.147 1.00 0.00 C ATOM 1722 C ARG A 115 -9.931 5.948 0.525 1.00 0.00 C ATOM 1723 O ARG A 115 -11.035 5.887 -0.010 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.692 4.609 2.621 1.00 0.00 C ATOM 1725 CG ARG A 115 -9.291 3.303 3.280 1.00 0.00 C ATOM 1726 CD ARG A 115 -9.726 3.272 4.735 1.00 0.00 C ATOM 1727 NE ARG A 115 -8.614 2.976 5.634 1.00 0.00 N ATOM 1728 CZ ARG A 115 -8.496 3.491 6.854 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -9.425 4.315 7.322 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -7.451 3.183 7.609 1.00 0.00 N ATOM 0 H ARG A 115 -7.360 5.039 1.898 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.631 3.826 0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.241 5.435 3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.773 4.727 2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.742 2.468 2.744 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.210 3.176 3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -10.162 4.234 5.003 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -10.506 2.521 4.864 1.00 0.00 H new ATOM 0 HE ARG A 115 -7.887 2.339 5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -10.232 4.554 6.745 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -9.332 4.709 8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -6.735 2.549 7.254 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.363 3.580 8.545 1.00 0.00 H new ATOM 1744 N GLU A 116 -9.221 7.067 0.603 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.706 8.331 0.065 1.00 0.00 C ATOM 1746 C GLU A 116 -9.915 8.257 -1.445 1.00 0.00 C ATOM 1747 O GLU A 116 -10.625 9.081 -2.022 1.00 0.00 O ATOM 1748 CB GLU A 116 -8.726 9.453 0.408 1.00 0.00 C ATOM 1749 CG GLU A 116 -9.021 10.124 1.738 1.00 0.00 C ATOM 1750 CD GLU A 116 -10.393 10.767 1.776 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -10.506 11.951 1.395 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -11.356 10.086 2.189 1.00 0.00 O ATOM 0 H GLU A 116 -8.300 7.124 1.038 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.673 8.541 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.714 9.048 0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.752 10.203 -0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.948 9.386 2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.263 10.882 1.934 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.293 7.270 -2.082 1.00 0.00 N ATOM 1760 CA ILE A 117 -9.414 7.102 -3.526 1.00 0.00 C ATOM 1761 C ILE A 117 -10.279 5.894 -3.878 1.00 0.00 C ATOM 1762 O ILE A 117 -10.959 5.886 -4.905 1.00 0.00 O ATOM 1763 CB ILE A 117 -8.029 6.948 -4.186 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -7.150 8.155 -3.852 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -8.175 6.791 -5.695 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -5.719 8.019 -4.328 1.00 0.00 C ATOM 0 H ILE A 117 -8.702 6.577 -1.623 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.895 8.002 -3.910 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.550 6.051 -3.794 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.589 9.047 -4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.151 8.306 -2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.189 6.683 -6.147 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.772 5.906 -5.913 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -8.668 7.672 -6.106 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -5.158 8.913 -4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -5.262 7.147 -3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.706 7.899 -5.411 1.00 0.00 H new ATOM 1778 N THR A 118 -10.255 4.877 -3.021 1.00 0.00 N ATOM 1779 CA THR A 118 -11.041 3.669 -3.250 1.00 0.00 C ATOM 1780 C THR A 118 -12.311 3.671 -2.407 1.00 0.00 C ATOM 1781 O THR A 118 -13.422 3.643 -2.937 1.00 0.00 O ATOM 1782 CB THR A 118 -10.230 2.400 -2.926 1.00 0.00 C ATOM 1783 OG1 THR A 118 -9.777 2.441 -1.567 1.00 0.00 O ATOM 1784 CG2 THR A 118 -9.035 2.267 -3.858 1.00 0.00 C ATOM 0 H THR A 118 -9.702 4.865 -2.164 1.00 0.00 H new ATOM 0 HA THR A 118 -11.307 3.663 -4.307 1.00 0.00 H new ATOM 0 HB THR A 118 -10.879 1.536 -3.068 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.025 3.064 -1.492 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.478 1.363 -3.609 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.383 2.207 -4.889 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.386 3.136 -3.744 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.134 3.706 -1.091 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.256 3.712 -0.161 1.00 0.00 C ATOM 1794 C TRP A 119 -14.144 4.935 -0.384 1.00 0.00 C ATOM 1795 O TRP A 119 -15.319 4.936 -0.019 1.00 0.00 O ATOM 1796 CB TRP A 119 -12.732 3.694 1.277 1.00 0.00 C ATOM 1797 CG TRP A 119 -13.805 3.782 2.317 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -13.991 4.793 3.214 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -14.839 2.824 2.571 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -15.073 4.523 4.012 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -15.614 3.320 3.636 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -15.186 1.595 2.000 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -16.712 2.631 4.142 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -16.277 0.912 2.503 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -17.029 1.431 3.565 1.00 0.00 C ATOM 0 H TRP A 119 -11.218 3.731 -0.643 1.00 0.00 H new ATOM 0 HA TRP A 119 -13.859 2.821 -0.337 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.162 2.778 1.434 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -12.041 4.526 1.411 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.375 5.678 3.285 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -15.419 5.120 4.763 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -14.612 1.187 1.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -17.293 3.029 4.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -16.555 -0.038 2.070 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -17.876 0.873 3.936 1.00 0.00 H new