USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=20 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 20 MET CE :methyl -124:sc= -1.08 (180deg=-2.93) USER MOD Set 1.2: A 29 THR OG1 : rot 16:sc= -0.315 USER MOD Set 1.3: A 31 HIS : no HE2:sc= -0.279 K(o=-1.7,f=-5.6!) USER MOD Single : A 14 GLN : amide:sc= 0.411 K(o=0.41,f=-0.85) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.0496 F(o=-1.4,f=-0.05) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.61 K(o=-0.61,f=-1.2) 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 -179:sc= -1.02 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.485 USER MOD Single : A 43 SER OG : rot 180:sc= -0.351 USER MOD Single : A 67 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.5) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.31 K(o=-1.3,f=-4.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= -0.698 (180deg=-0.885) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 81 LYS NZ :NH3+ -126:sc= 1.29 (180deg=-0.633) 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= -0.0421 X(o=-0.042,f=-0.064) USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 101 THR OG1 : rot 90:sc= -0.195 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.336 F(o=-4.1!,f=-0.34) USER MOD Single : A 113 SER OG : rot 130:sc= 0 USER MOD Single : A 118 THR OG1 : rot 120:sc= -0.0331 USER MOD ----------------------------------------------------------------- ATOM 112 N GLN A 14 0.500 12.210 -0.629 1.00 0.00 N ATOM 113 CA GLN A 14 1.009 11.314 0.395 1.00 0.00 C ATOM 114 C GLN A 14 2.009 10.326 -0.201 1.00 0.00 C ATOM 115 O GLN A 14 1.631 9.408 -0.929 1.00 0.00 O ATOM 116 CB GLN A 14 -0.154 10.564 1.047 1.00 0.00 C ATOM 117 CG GLN A 14 0.286 9.450 1.974 1.00 0.00 C ATOM 118 CD GLN A 14 0.960 9.966 3.230 1.00 0.00 C ATOM 119 OE1 GLN A 14 0.668 11.065 3.699 1.00 0.00 O ATOM 120 NE2 GLN A 14 1.868 9.170 3.785 1.00 0.00 N ATOM 0 HA GLN A 14 1.525 11.904 1.153 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.763 11.273 1.608 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.789 10.146 0.266 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.581 8.850 2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.973 8.791 1.443 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.080 8.266 3.363 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.353 9.463 4.633 1.00 0.00 H new ATOM 129 N GLN A 15 3.286 10.524 0.110 1.00 0.00 N ATOM 130 CA GLN A 15 4.342 9.654 -0.397 1.00 0.00 C ATOM 131 C GLN A 15 5.330 9.294 0.708 1.00 0.00 C ATOM 132 O GLN A 15 5.509 10.050 1.663 1.00 0.00 O ATOM 133 CB GLN A 15 5.079 10.333 -1.555 1.00 0.00 C ATOM 134 CG GLN A 15 4.172 10.710 -2.716 1.00 0.00 C ATOM 135 CD GLN A 15 4.918 11.388 -3.848 1.00 0.00 C ATOM 136 OE1 GLN A 15 6.185 11.027 -4.027 1.00 0.00 O flip ATOM 137 NE2 GLN A 15 4.362 12.226 -4.559 1.00 0.00 N flip ATOM 0 H GLN A 15 3.615 11.280 0.711 1.00 0.00 H new ATOM 0 HA GLN A 15 3.879 8.736 -0.758 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.572 11.231 -1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.861 9.666 -1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.683 9.813 -3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.386 11.374 -2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.388 12.475 -4.388 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.876 12.671 -5.319 1.00 0.00 H new ATOM 146 N GLY A 16 5.967 8.135 0.570 1.00 0.00 N ATOM 147 CA GLY A 16 6.930 7.694 1.565 1.00 0.00 C ATOM 148 C GLY A 16 7.266 6.220 1.437 1.00 0.00 C ATOM 149 O GLY A 16 7.664 5.758 0.368 1.00 0.00 O ATOM 0 H GLY A 16 5.834 7.494 -0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.843 8.281 1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.532 7.887 2.561 1.00 0.00 H new ATOM 153 N GLU A 17 7.100 5.481 2.530 1.00 0.00 N ATOM 154 CA GLU A 17 7.393 4.052 2.539 1.00 0.00 C ATOM 155 C GLU A 17 6.196 3.250 3.043 1.00 0.00 C ATOM 156 O GLU A 17 5.285 3.797 3.664 1.00 0.00 O ATOM 157 CB GLU A 17 8.615 3.767 3.414 1.00 0.00 C ATOM 158 CG GLU A 17 9.872 4.492 2.960 1.00 0.00 C ATOM 159 CD GLU A 17 11.052 4.239 3.876 1.00 0.00 C ATOM 160 OE1 GLU A 17 11.771 3.242 3.656 1.00 0.00 O ATOM 161 OE2 GLU A 17 11.259 5.039 4.813 1.00 0.00 O ATOM 0 H GLU A 17 6.764 5.848 3.420 1.00 0.00 H new ATOM 0 HA GLU A 17 7.606 3.746 1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.391 4.055 4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.806 2.694 3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.126 4.173 1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.674 5.563 2.916 1.00 0.00 H new ATOM 168 N LEU A 18 6.210 1.948 2.771 1.00 0.00 N ATOM 169 CA LEU A 18 5.132 1.061 3.195 1.00 0.00 C ATOM 170 C LEU A 18 5.579 -0.397 3.139 1.00 0.00 C ATOM 171 O LEU A 18 6.522 -0.737 2.423 1.00 0.00 O ATOM 172 CB LEU A 18 3.898 1.264 2.313 1.00 0.00 C ATOM 173 CG LEU A 18 2.628 1.688 3.055 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.493 1.928 2.072 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.232 0.640 4.084 1.00 0.00 C ATOM 0 H LEU A 18 6.959 1.483 2.257 1.00 0.00 H new ATOM 0 HA LEU A 18 4.875 1.306 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.129 2.018 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.695 0.335 1.780 1.00 0.00 H new ATOM 0 HG LEU A 18 2.832 2.621 3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.598 2.229 2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.776 2.717 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.291 1.011 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.327 0.961 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.047 -0.310 3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.038 0.517 4.807 1.00 0.00 H new ATOM 187 N TYR A 19 4.900 -1.254 3.896 1.00 0.00 N ATOM 188 CA TYR A 19 5.232 -2.671 3.929 1.00 0.00 C ATOM 189 C TYR A 19 4.109 -3.508 3.329 1.00 0.00 C ATOM 190 O TYR A 19 2.933 -3.288 3.619 1.00 0.00 O ATOM 191 CB TYR A 19 5.504 -3.115 5.367 1.00 0.00 C ATOM 192 CG TYR A 19 6.595 -2.323 6.047 1.00 0.00 C ATOM 193 CD1 TYR A 19 6.332 -1.074 6.595 1.00 0.00 C ATOM 194 CD2 TYR A 19 7.888 -2.822 6.141 1.00 0.00 C ATOM 195 CE1 TYR A 19 7.327 -0.345 7.218 1.00 0.00 C ATOM 196 CE2 TYR A 19 8.888 -2.099 6.764 1.00 0.00 C ATOM 197 CZ TYR A 19 8.603 -0.862 7.300 1.00 0.00 C ATOM 198 OH TYR A 19 9.596 -0.139 7.920 1.00 0.00 O ATOM 0 H TYR A 19 4.117 -0.990 4.494 1.00 0.00 H new ATOM 0 HA TYR A 19 6.131 -2.824 3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.585 -3.024 5.947 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.778 -4.170 5.367 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.334 -0.666 6.533 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.116 -3.790 5.721 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.107 0.625 7.639 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.888 -2.502 6.830 1.00 0.00 H new ATOM 0 HH TYR A 19 10.435 -0.645 7.893 1.00 0.00 H new ATOM 208 N MET A 20 4.482 -4.466 2.491 1.00 0.00 N ATOM 209 CA MET A 20 3.513 -5.342 1.846 1.00 0.00 C ATOM 210 C MET A 20 3.925 -6.803 1.987 1.00 0.00 C ATOM 211 O MET A 20 5.099 -7.143 1.845 1.00 0.00 O ATOM 212 CB MET A 20 3.373 -4.976 0.368 1.00 0.00 C ATOM 213 CG MET A 20 2.598 -3.689 0.134 1.00 0.00 C ATOM 214 SD MET A 20 2.724 -3.103 -1.567 1.00 0.00 S ATOM 215 CE MET A 20 4.479 -2.769 -1.679 1.00 0.00 C ATOM 0 H MET A 20 5.452 -4.657 2.241 1.00 0.00 H new ATOM 0 HA MET A 20 2.550 -5.208 2.338 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.366 -4.878 -0.070 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.874 -5.792 -0.155 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.549 -3.851 0.382 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.970 -2.918 0.809 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.634 -1.733 -1.982 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.944 -2.937 -0.708 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.930 -3.433 -2.416 1.00 0.00 H new ATOM 225 N TRP A 21 2.950 -7.661 2.272 1.00 0.00 N ATOM 226 CA TRP A 21 3.208 -9.086 2.439 1.00 0.00 C ATOM 227 C TRP A 21 3.846 -9.684 1.190 1.00 0.00 C ATOM 228 O TRP A 21 3.262 -9.659 0.108 1.00 0.00 O ATOM 229 CB TRP A 21 1.909 -9.825 2.769 1.00 0.00 C ATOM 230 CG TRP A 21 2.042 -11.318 2.722 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.331 -12.179 1.936 1.00 0.00 C ATOM 232 CD2 TRP A 21 2.943 -12.126 3.489 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.732 -13.471 2.168 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.721 -13.464 3.118 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.917 -11.848 4.454 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.435 -14.520 3.675 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.625 -12.899 5.005 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.380 -14.220 4.615 1.00 0.00 C ATOM 0 H TRP A 21 1.973 -7.393 2.392 1.00 0.00 H new ATOM 0 HA TRP A 21 3.908 -9.204 3.266 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.574 -9.529 3.763 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.135 -9.515 2.067 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.565 -11.886 1.234 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.356 -14.301 1.709 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.112 -10.831 4.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.249 -15.541 3.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.381 -12.697 5.750 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.950 -15.019 5.066 1.00 0.00 H new ATOM 249 N ASP A 22 5.052 -10.220 1.354 1.00 0.00 N ATOM 250 CA ASP A 22 5.774 -10.837 0.249 1.00 0.00 C ATOM 251 C ASP A 22 5.681 -12.356 0.335 1.00 0.00 C ATOM 252 O ASP A 22 6.343 -12.979 1.163 1.00 0.00 O ATOM 253 CB ASP A 22 7.241 -10.402 0.265 1.00 0.00 C ATOM 254 CG ASP A 22 7.408 -8.917 0.011 1.00 0.00 C ATOM 255 OD1 ASP A 22 7.471 -8.521 -1.172 1.00 0.00 O ATOM 256 OD2 ASP A 22 7.476 -8.151 0.995 1.00 0.00 O ATOM 0 H ASP A 22 5.550 -10.239 2.244 1.00 0.00 H new ATOM 0 HA ASP A 22 5.319 -10.510 -0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.681 -10.654 1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.791 -10.961 -0.492 1.00 0.00 H new ATOM 261 N SER A 23 4.850 -12.945 -0.521 1.00 0.00 N ATOM 262 CA SER A 23 4.667 -14.394 -0.535 1.00 0.00 C ATOM 263 C SER A 23 5.817 -15.089 -1.258 1.00 0.00 C ATOM 264 O SER A 23 5.852 -16.316 -1.347 1.00 0.00 O ATOM 265 CB SER A 23 3.337 -14.758 -1.195 1.00 0.00 C ATOM 266 OG SER A 23 3.228 -14.174 -2.482 1.00 0.00 O ATOM 0 H SER A 23 4.294 -12.443 -1.213 1.00 0.00 H new ATOM 0 HA SER A 23 4.657 -14.738 0.499 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.252 -15.842 -1.276 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.512 -14.420 -0.568 1.00 0.00 H new ATOM 0 HG SER A 23 2.369 -14.424 -2.883 1.00 0.00 H new ATOM 272 N ILE A 24 6.755 -14.300 -1.773 1.00 0.00 N ATOM 273 CA ILE A 24 7.905 -14.850 -2.479 1.00 0.00 C ATOM 274 C ILE A 24 8.903 -15.434 -1.488 1.00 0.00 C ATOM 275 O ILE A 24 9.436 -16.526 -1.691 1.00 0.00 O ATOM 276 CB ILE A 24 8.608 -13.778 -3.339 1.00 0.00 C ATOM 277 CG1 ILE A 24 7.614 -13.136 -4.313 1.00 0.00 C ATOM 278 CG2 ILE A 24 9.783 -14.386 -4.092 1.00 0.00 C ATOM 279 CD1 ILE A 24 6.987 -14.114 -5.283 1.00 0.00 C ATOM 0 H ILE A 24 6.741 -13.282 -1.715 1.00 0.00 H new ATOM 0 HA ILE A 24 7.538 -15.636 -3.139 1.00 0.00 H new ATOM 0 HB ILE A 24 8.991 -13.000 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.824 -12.649 -3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.126 -12.357 -4.878 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.267 -13.617 -4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.500 -14.794 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.425 -15.183 -4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.296 -13.584 -5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.767 -14.583 -5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.445 -14.880 -4.728 1.00 0.00 H new ATOM 291 N ASP A 25 9.148 -14.693 -0.415 1.00 0.00 N ATOM 292 CA ASP A 25 10.066 -15.124 0.630 1.00 0.00 C ATOM 293 C ASP A 25 9.329 -15.238 1.957 1.00 0.00 C ATOM 294 O ASP A 25 9.917 -15.590 2.980 1.00 0.00 O ATOM 295 CB ASP A 25 11.227 -14.137 0.762 1.00 0.00 C ATOM 296 CG ASP A 25 12.146 -14.158 -0.443 1.00 0.00 C ATOM 297 OD1 ASP A 25 13.110 -14.951 -0.440 1.00 0.00 O ATOM 298 OD2 ASP A 25 11.900 -13.381 -1.389 1.00 0.00 O ATOM 0 H ASP A 25 8.719 -13.783 -0.246 1.00 0.00 H new ATOM 0 HA ASP A 25 10.467 -16.101 0.359 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.831 -13.130 0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.802 -14.374 1.657 1.00 0.00 H new ATOM 303 N GLN A 26 8.032 -14.939 1.923 1.00 0.00 N ATOM 304 CA GLN A 26 7.199 -14.992 3.115 1.00 0.00 C ATOM 305 C GLN A 26 7.810 -14.155 4.229 1.00 0.00 C ATOM 306 O GLN A 26 8.340 -14.686 5.206 1.00 0.00 O ATOM 307 CB GLN A 26 6.997 -16.437 3.566 1.00 0.00 C ATOM 308 CG GLN A 26 6.073 -17.214 2.645 1.00 0.00 C ATOM 309 CD GLN A 26 4.784 -17.634 3.323 1.00 0.00 C ATOM 310 OE1 GLN A 26 4.753 -17.881 4.529 1.00 0.00 O ATOM 311 NE2 GLN A 26 3.708 -17.711 2.547 1.00 0.00 N ATOM 0 H GLN A 26 7.537 -14.657 1.077 1.00 0.00 H new ATOM 0 HA GLN A 26 6.222 -14.574 2.873 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.964 -16.938 3.611 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.587 -16.444 4.576 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.837 -16.602 1.774 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.592 -18.101 2.281 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.780 -17.497 1.552 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.810 -17.984 2.946 1.00 0.00 H new ATOM 320 N LYS A 27 7.733 -12.838 4.065 1.00 0.00 N ATOM 321 CA LYS A 27 8.287 -11.910 5.043 1.00 0.00 C ATOM 322 C LYS A 27 7.884 -10.472 4.723 1.00 0.00 C ATOM 323 O LYS A 27 7.247 -10.208 3.704 1.00 0.00 O ATOM 324 CB LYS A 27 9.813 -12.025 5.067 1.00 0.00 C ATOM 325 CG LYS A 27 10.477 -11.568 3.777 1.00 0.00 C ATOM 326 CD LYS A 27 11.983 -11.766 3.826 1.00 0.00 C ATOM 327 CE LYS A 27 12.651 -11.273 2.552 1.00 0.00 C ATOM 328 NZ LYS A 27 14.127 -11.470 2.588 1.00 0.00 N ATOM 0 H LYS A 27 7.291 -12.389 3.262 1.00 0.00 H new ATOM 0 HA LYS A 27 7.887 -12.170 6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.201 -11.432 5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.088 -13.062 5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.063 -12.125 2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.253 -10.515 3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.394 -11.233 4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.208 -12.823 3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.235 -11.803 1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.429 -10.215 2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.545 -11.121 1.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.528 -10.944 3.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.340 -12.482 2.697 1.00 0.00 H new ATOM 342 N TRP A 28 8.261 -9.548 5.603 1.00 0.00 N ATOM 343 CA TRP A 28 7.950 -8.134 5.413 1.00 0.00 C ATOM 344 C TRP A 28 9.190 -7.362 4.979 1.00 0.00 C ATOM 345 O TRP A 28 10.192 -7.325 5.694 1.00 0.00 O ATOM 346 CB TRP A 28 7.391 -7.529 6.702 1.00 0.00 C ATOM 347 CG TRP A 28 6.001 -7.983 7.025 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.641 -8.966 7.900 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.782 -7.468 6.475 1.00 0.00 C ATOM 350 NE1 TRP A 28 4.273 -9.090 7.934 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.726 -8.186 7.065 1.00 0.00 C ATOM 352 CE3 TRP A 28 4.481 -6.470 5.542 1.00 0.00 C ATOM 353 CZ2 TRP A 28 2.393 -7.940 6.754 1.00 0.00 C ATOM 354 CZ3 TRP A 28 3.156 -6.227 5.235 1.00 0.00 C ATOM 355 CH2 TRP A 28 2.128 -6.960 5.839 1.00 0.00 C ATOM 0 H TRP A 28 8.783 -9.753 6.455 1.00 0.00 H new ATOM 0 HA TRP A 28 7.196 -8.059 4.629 1.00 0.00 H new ATOM 0 HB2 TRP A 28 8.050 -7.788 7.530 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.398 -6.442 6.616 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.331 -9.560 8.481 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.751 -9.748 8.512 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.269 -5.901 5.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.597 -8.503 7.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.909 -5.459 4.517 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.102 -6.746 5.576 1.00 0.00 H new ATOM 366 N THR A 29 9.118 -6.744 3.804 1.00 0.00 N ATOM 367 CA THR A 29 10.236 -5.970 3.278 1.00 0.00 C ATOM 368 C THR A 29 9.888 -4.488 3.200 1.00 0.00 C ATOM 369 O THR A 29 8.728 -4.104 3.356 1.00 0.00 O ATOM 370 CB THR A 29 10.651 -6.459 1.878 1.00 0.00 C ATOM 371 OG1 THR A 29 9.611 -6.184 0.935 1.00 0.00 O ATOM 372 CG2 THR A 29 10.946 -7.950 1.886 1.00 0.00 C ATOM 0 H THR A 29 8.297 -6.764 3.199 1.00 0.00 H new ATOM 0 HA THR A 29 11.069 -6.112 3.966 1.00 0.00 H new ATOM 0 HB THR A 29 11.557 -5.927 1.590 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.991 -5.527 1.314 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.237 -8.269 0.885 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.758 -8.156 2.583 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.055 -8.496 2.196 1.00 0.00 H new ATOM 380 N ARG A 30 10.898 -3.658 2.957 1.00 0.00 N ATOM 381 CA ARG A 30 10.695 -2.218 2.854 1.00 0.00 C ATOM 382 C ARG A 30 10.434 -1.806 1.410 1.00 0.00 C ATOM 383 O ARG A 30 11.205 -2.144 0.510 1.00 0.00 O ATOM 384 CB ARG A 30 11.912 -1.466 3.398 1.00 0.00 C ATOM 385 CG ARG A 30 12.109 -1.627 4.896 1.00 0.00 C ATOM 386 CD ARG A 30 13.167 -0.675 5.424 1.00 0.00 C ATOM 387 NE ARG A 30 13.371 -0.826 6.863 1.00 0.00 N ATOM 388 CZ ARG A 30 14.149 -0.026 7.586 1.00 0.00 C ATOM 389 NH1 ARG A 30 14.794 0.979 7.008 1.00 0.00 N ATOM 390 NH2 ARG A 30 14.282 -0.231 8.890 1.00 0.00 N ATOM 0 H ARG A 30 11.864 -3.958 2.828 1.00 0.00 H new ATOM 0 HA ARG A 30 9.821 -1.959 3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.806 -1.818 2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.807 -0.406 3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.165 -1.445 5.410 1.00 0.00 H new ATOM 0 HG3 ARG A 30 12.399 -2.654 5.117 1.00 0.00 H new ATOM 0 HD2 ARG A 30 14.108 -0.854 4.904 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.872 0.351 5.205 1.00 0.00 H new ATOM 0 HE ARG A 30 12.889 -1.588 7.340 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.694 1.140 6.006 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.390 1.591 7.566 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.787 -1.002 9.338 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.879 0.383 9.444 1.00 0.00 H new ATOM 404 N HIS A 31 9.345 -1.077 1.195 1.00 0.00 N ATOM 405 CA HIS A 31 8.982 -0.620 -0.142 1.00 0.00 C ATOM 406 C HIS A 31 8.839 0.898 -0.185 1.00 0.00 C ATOM 407 O HIS A 31 8.369 1.514 0.772 1.00 0.00 O ATOM 408 CB HIS A 31 7.668 -1.267 -0.588 1.00 0.00 C ATOM 409 CG HIS A 31 7.669 -2.761 -0.504 1.00 0.00 C ATOM 410 ND1 HIS A 31 7.963 -3.575 -1.578 1.00 0.00 N ATOM 411 CD2 HIS A 31 7.393 -3.591 0.529 1.00 0.00 C ATOM 412 CE1 HIS A 31 7.865 -4.840 -1.209 1.00 0.00 C ATOM 413 NE2 HIS A 31 7.522 -4.876 0.065 1.00 0.00 N ATOM 0 H HIS A 31 8.698 -0.789 1.929 1.00 0.00 H new ATOM 0 HA HIS A 31 9.782 -0.915 -0.821 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.856 -0.879 0.027 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.459 -0.971 -1.616 1.00 0.00 H new ATOM 0 HD1 HIS A 31 8.216 -3.251 -2.511 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.122 -3.297 1.532 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.036 -5.698 -1.842 1.00 0.00 H new ATOM 422 N TYR A 32 9.248 1.494 -1.300 1.00 0.00 N ATOM 423 CA TYR A 32 9.151 2.938 -1.474 1.00 0.00 C ATOM 424 C TYR A 32 7.900 3.285 -2.274 1.00 0.00 C ATOM 425 O TYR A 32 7.886 3.178 -3.500 1.00 0.00 O ATOM 426 CB TYR A 32 10.395 3.476 -2.182 1.00 0.00 C ATOM 427 CG TYR A 32 10.470 4.986 -2.215 1.00 0.00 C ATOM 428 CD1 TYR A 32 10.957 5.699 -1.126 1.00 0.00 C ATOM 429 CD2 TYR A 32 10.055 5.699 -3.333 1.00 0.00 C ATOM 430 CE1 TYR A 32 11.028 7.079 -1.150 1.00 0.00 C ATOM 431 CE2 TYR A 32 10.123 7.079 -3.365 1.00 0.00 C ATOM 432 CZ TYR A 32 10.610 7.764 -2.271 1.00 0.00 C ATOM 433 OH TYR A 32 10.680 9.137 -2.299 1.00 0.00 O ATOM 0 H TYR A 32 9.650 0.999 -2.096 1.00 0.00 H new ATOM 0 HA TYR A 32 9.083 3.404 -0.491 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.283 3.088 -1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.413 3.098 -3.204 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.285 5.166 -0.246 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.673 5.166 -4.191 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.409 7.618 -0.295 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.797 7.618 -4.242 1.00 0.00 H new ATOM 0 HH TYR A 32 10.348 9.464 -3.161 1.00 0.00 H new ATOM 443 N CYS A 33 6.850 3.697 -1.571 1.00 0.00 N ATOM 444 CA CYS A 33 5.587 4.038 -2.215 1.00 0.00 C ATOM 445 C CYS A 33 5.493 5.530 -2.517 1.00 0.00 C ATOM 446 O CYS A 33 6.275 6.332 -2.008 1.00 0.00 O ATOM 447 CB CYS A 33 4.414 3.613 -1.333 1.00 0.00 C ATOM 448 SG CYS A 33 4.292 1.828 -1.076 1.00 0.00 S ATOM 0 H CYS A 33 6.849 3.803 -0.556 1.00 0.00 H new ATOM 0 HA CYS A 33 5.545 3.500 -3.162 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.506 4.103 -0.364 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.487 3.969 -1.783 1.00 0.00 H new ATOM 0 HG CYS A 33 3.258 1.566 -0.333 1.00 0.00 H new ATOM 454 N ALA A 34 4.521 5.887 -3.352 1.00 0.00 N ATOM 455 CA ALA A 34 4.299 7.275 -3.737 1.00 0.00 C ATOM 456 C ALA A 34 2.967 7.425 -4.464 1.00 0.00 C ATOM 457 O ALA A 34 2.775 6.871 -5.547 1.00 0.00 O ATOM 458 CB ALA A 34 5.441 7.772 -4.612 1.00 0.00 C ATOM 0 H ALA A 34 3.870 5.227 -3.777 1.00 0.00 H new ATOM 0 HA ALA A 34 4.266 7.881 -2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.260 8.810 -4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.379 7.702 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.503 7.160 -5.512 1.00 0.00 H new ATOM 464 N ILE A 35 2.047 8.175 -3.864 1.00 0.00 N ATOM 465 CA ILE A 35 0.732 8.388 -4.456 1.00 0.00 C ATOM 466 C ILE A 35 0.732 9.597 -5.386 1.00 0.00 C ATOM 467 O ILE A 35 1.340 10.626 -5.087 1.00 0.00 O ATOM 468 CB ILE A 35 -0.349 8.581 -3.373 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.393 7.363 -2.446 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.710 8.817 -4.014 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.332 7.525 -1.271 1.00 0.00 C ATOM 0 H ILE A 35 2.188 8.644 -2.970 1.00 0.00 H new ATOM 0 HA ILE A 35 0.499 7.494 -5.034 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.095 9.459 -2.779 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.695 6.489 -3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.612 7.166 -2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.461 8.951 -3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.669 9.711 -4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.976 7.958 -4.630 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.309 6.623 -0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.018 8.378 -0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.346 7.691 -1.636 1.00 0.00 H new ATOM 483 N ALA A 36 0.043 9.463 -6.515 1.00 0.00 N ATOM 484 CA ALA A 36 -0.044 10.537 -7.496 1.00 0.00 C ATOM 485 C ALA A 36 -1.423 10.570 -8.145 1.00 0.00 C ATOM 486 O ALA A 36 -1.860 9.583 -8.737 1.00 0.00 O ATOM 487 CB ALA A 36 1.036 10.372 -8.555 1.00 0.00 C ATOM 0 H ALA A 36 -0.465 8.617 -6.773 1.00 0.00 H new ATOM 0 HA ALA A 36 0.111 11.485 -6.980 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.960 11.181 -9.282 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.017 10.401 -8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.906 9.416 -9.062 1.00 0.00 H new ATOM 493 N ASP A 37 -2.100 11.710 -8.027 1.00 0.00 N ATOM 494 CA ASP A 37 -3.433 11.884 -8.597 1.00 0.00 C ATOM 495 C ASP A 37 -4.443 10.946 -7.939 1.00 0.00 C ATOM 496 O ASP A 37 -5.178 11.348 -7.037 1.00 0.00 O ATOM 497 CB ASP A 37 -3.407 11.651 -10.111 1.00 0.00 C ATOM 498 CG ASP A 37 -2.477 12.609 -10.827 1.00 0.00 C ATOM 499 OD1 ASP A 37 -2.942 13.697 -11.231 1.00 0.00 O ATOM 500 OD2 ASP A 37 -1.285 12.274 -10.985 1.00 0.00 O ATOM 0 H ASP A 37 -1.744 12.532 -7.538 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.744 12.910 -8.403 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.094 10.626 -10.313 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.415 11.761 -10.510 1.00 0.00 H new ATOM 505 N ALA A 38 -4.475 9.696 -8.393 1.00 0.00 N ATOM 506 CA ALA A 38 -5.398 8.708 -7.845 1.00 0.00 C ATOM 507 C ALA A 38 -4.826 7.297 -7.946 1.00 0.00 C ATOM 508 O ALA A 38 -5.571 6.317 -7.970 1.00 0.00 O ATOM 509 CB ALA A 38 -6.737 8.784 -8.563 1.00 0.00 C ATOM 0 H ALA A 38 -3.873 9.344 -9.138 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.545 8.936 -6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.417 8.042 -8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.163 9.779 -8.435 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.592 8.586 -9.625 1.00 0.00 H new ATOM 515 N LYS A 39 -3.502 7.199 -8.003 1.00 0.00 N ATOM 516 CA LYS A 39 -2.839 5.904 -8.100 1.00 0.00 C ATOM 517 C LYS A 39 -1.663 5.798 -7.138 1.00 0.00 C ATOM 518 O LYS A 39 -0.930 6.762 -6.924 1.00 0.00 O ATOM 519 CB LYS A 39 -2.359 5.664 -9.530 1.00 0.00 C ATOM 520 CG LYS A 39 -3.493 5.418 -10.507 1.00 0.00 C ATOM 521 CD LYS A 39 -2.976 5.083 -11.894 1.00 0.00 C ATOM 522 CE LYS A 39 -4.072 5.219 -12.937 1.00 0.00 C ATOM 523 NZ LYS A 39 -3.578 4.910 -14.307 1.00 0.00 N ATOM 0 H LYS A 39 -2.869 7.998 -7.984 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.568 5.141 -7.825 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.782 6.527 -9.863 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.686 4.807 -9.541 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.116 4.601 -10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.127 6.303 -10.559 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.147 5.745 -12.145 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.586 4.065 -11.903 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.895 4.549 -12.688 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.470 6.234 -12.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.357 5.015 -14.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.810 5.566 -14.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.222 3.933 -14.336 1.00 0.00 H new ATOM 537 N LEU A 40 -1.493 4.613 -6.561 1.00 0.00 N ATOM 538 CA LEU A 40 -0.401 4.359 -5.629 1.00 0.00 C ATOM 539 C LEU A 40 0.648 3.465 -6.280 1.00 0.00 C ATOM 540 O LEU A 40 0.367 2.319 -6.630 1.00 0.00 O ATOM 541 CB LEU A 40 -0.938 3.703 -4.353 1.00 0.00 C ATOM 542 CG LEU A 40 0.125 3.095 -3.435 1.00 0.00 C ATOM 543 CD1 LEU A 40 1.025 4.179 -2.864 1.00 0.00 C ATOM 544 CD2 LEU A 40 -0.528 2.296 -2.317 1.00 0.00 C ATOM 0 H LEU A 40 -2.101 3.810 -6.724 1.00 0.00 H new ATOM 0 HA LEU A 40 0.064 5.309 -5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.499 4.448 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.642 2.920 -4.635 1.00 0.00 H new ATOM 0 HG LEU A 40 0.741 2.417 -4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.774 3.726 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.523 4.705 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.425 4.885 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.244 1.871 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.170 2.951 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.126 1.492 -2.746 1.00 0.00 H new ATOM 556 N SER A 41 1.858 3.988 -6.434 1.00 0.00 N ATOM 557 CA SER A 41 2.938 3.233 -7.057 1.00 0.00 C ATOM 558 C SER A 41 4.001 2.841 -6.036 1.00 0.00 C ATOM 559 O SER A 41 4.549 3.694 -5.339 1.00 0.00 O ATOM 560 CB SER A 41 3.573 4.055 -8.181 1.00 0.00 C ATOM 561 OG SER A 41 2.583 4.675 -8.981 1.00 0.00 O ATOM 0 H SER A 41 2.116 4.929 -6.137 1.00 0.00 H new ATOM 0 HA SER A 41 2.513 2.319 -7.472 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.228 4.814 -7.755 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.194 3.409 -8.801 1.00 0.00 H new ATOM 0 HG SER A 41 3.014 5.195 -9.691 1.00 0.00 H new ATOM 567 N PHE A 42 4.286 1.544 -5.953 1.00 0.00 N ATOM 568 CA PHE A 42 5.288 1.040 -5.021 1.00 0.00 C ATOM 569 C PHE A 42 6.527 0.556 -5.769 1.00 0.00 C ATOM 570 O PHE A 42 6.422 -0.008 -6.859 1.00 0.00 O ATOM 571 CB PHE A 42 4.708 -0.090 -4.165 1.00 0.00 C ATOM 572 CG PHE A 42 4.203 -1.262 -4.959 1.00 0.00 C ATOM 573 CD1 PHE A 42 2.888 -1.305 -5.394 1.00 0.00 C ATOM 574 CD2 PHE A 42 5.042 -2.321 -5.266 1.00 0.00 C ATOM 575 CE1 PHE A 42 2.420 -2.384 -6.120 1.00 0.00 C ATOM 576 CE2 PHE A 42 4.579 -3.402 -5.992 1.00 0.00 C ATOM 577 CZ PHE A 42 3.266 -3.434 -6.419 1.00 0.00 C ATOM 0 H PHE A 42 3.837 0.824 -6.520 1.00 0.00 H new ATOM 0 HA PHE A 42 5.581 1.858 -4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.475 -0.437 -3.472 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.891 0.307 -3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.222 -0.487 -5.163 1.00 0.00 H new ATOM 0 HD2 PHE A 42 6.070 -2.302 -4.934 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.393 -2.406 -6.453 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.243 -4.221 -6.225 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.902 -4.278 -6.985 1.00 0.00 H new ATOM 587 N SER A 43 7.697 0.780 -5.178 1.00 0.00 N ATOM 588 CA SER A 43 8.955 0.375 -5.797 1.00 0.00 C ATOM 589 C SER A 43 9.479 -0.925 -5.193 1.00 0.00 C ATOM 590 O SER A 43 8.948 -1.422 -4.199 1.00 0.00 O ATOM 591 CB SER A 43 10.002 1.479 -5.640 1.00 0.00 C ATOM 592 OG SER A 43 11.245 1.091 -6.199 1.00 0.00 O ATOM 0 H SER A 43 7.800 1.239 -4.273 1.00 0.00 H new ATOM 0 HA SER A 43 8.765 0.206 -6.857 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.650 2.389 -6.126 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.133 1.712 -4.583 1.00 0.00 H new ATOM 0 HG SER A 43 11.895 1.816 -6.086 1.00 0.00 H new ATOM 598 N ASP A 44 10.527 -1.469 -5.806 1.00 0.00 N ATOM 599 CA ASP A 44 11.136 -2.711 -5.341 1.00 0.00 C ATOM 600 C ASP A 44 11.844 -2.499 -4.005 1.00 0.00 C ATOM 601 O ASP A 44 12.065 -1.362 -3.588 1.00 0.00 O ATOM 602 CB ASP A 44 12.131 -3.232 -6.382 1.00 0.00 C ATOM 603 CG ASP A 44 12.701 -4.587 -6.011 1.00 0.00 C ATOM 604 OD1 ASP A 44 12.074 -5.610 -6.358 1.00 0.00 O ATOM 605 OD2 ASP A 44 13.775 -4.627 -5.376 1.00 0.00 O ATOM 0 H ASP A 44 10.974 -1.066 -6.630 1.00 0.00 H new ATOM 0 HA ASP A 44 10.346 -3.449 -5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.636 -3.302 -7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.946 -2.516 -6.492 1.00 0.00 H new ATOM 610 N ASP A 45 12.185 -3.600 -3.337 1.00 0.00 N ATOM 611 CA ASP A 45 12.873 -3.539 -2.049 1.00 0.00 C ATOM 612 C ASP A 45 13.980 -2.488 -2.070 1.00 0.00 C ATOM 613 O ASP A 45 14.705 -2.357 -3.056 1.00 0.00 O ATOM 614 CB ASP A 45 13.464 -4.907 -1.702 1.00 0.00 C ATOM 615 CG ASP A 45 12.462 -6.031 -1.875 1.00 0.00 C ATOM 616 OD1 ASP A 45 11.724 -6.322 -0.910 1.00 0.00 O ATOM 617 OD2 ASP A 45 12.414 -6.620 -2.975 1.00 0.00 O ATOM 0 H ASP A 45 11.996 -4.546 -3.667 1.00 0.00 H new ATOM 0 HA ASP A 45 12.144 -3.258 -1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.331 -5.096 -2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.818 -4.896 -0.671 1.00 0.00 H new ATOM 622 N ILE A 46 14.102 -1.740 -0.978 1.00 0.00 N ATOM 623 CA ILE A 46 15.114 -0.695 -0.874 1.00 0.00 C ATOM 624 C ILE A 46 16.360 -1.190 -0.148 1.00 0.00 C ATOM 625 O ILE A 46 17.359 -0.476 -0.058 1.00 0.00 O ATOM 626 CB ILE A 46 14.566 0.542 -0.137 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.072 0.149 1.258 1.00 0.00 C ATOM 628 CG2 ILE A 46 13.448 1.185 -0.944 1.00 0.00 C ATOM 629 CD1 ILE A 46 13.648 1.325 2.110 1.00 0.00 C ATOM 0 H ILE A 46 13.512 -1.838 -0.152 1.00 0.00 H new ATOM 0 HA ILE A 46 15.382 -0.420 -1.894 1.00 0.00 H new ATOM 0 HB ILE A 46 15.369 1.271 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.230 -0.536 1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 46 14.864 -0.394 1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.070 2.058 -0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 46 13.832 1.492 -1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 46 12.640 0.467 -1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.311 0.967 3.083 1.00 0.00 H new ATOM 0 HD12 ILE A 46 14.493 2.000 2.245 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.834 1.857 1.617 1.00 0.00 H new ATOM 641 N GLU A 47 16.297 -2.412 0.366 1.00 0.00 N ATOM 642 CA GLU A 47 17.426 -2.994 1.085 1.00 0.00 C ATOM 643 C GLU A 47 17.269 -4.504 1.235 1.00 0.00 C ATOM 644 O GLU A 47 18.258 -5.237 1.270 1.00 0.00 O ATOM 645 CB GLU A 47 17.565 -2.345 2.464 1.00 0.00 C ATOM 646 CG GLU A 47 16.273 -2.329 3.264 1.00 0.00 C ATOM 647 CD GLU A 47 16.462 -1.780 4.665 1.00 0.00 C ATOM 648 OE1 GLU A 47 16.376 -0.546 4.837 1.00 0.00 O ATOM 649 OE2 GLU A 47 16.700 -2.586 5.590 1.00 0.00 O ATOM 0 H GLU A 47 15.480 -3.018 0.299 1.00 0.00 H new ATOM 0 HA GLU A 47 18.328 -2.802 0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.327 -2.879 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.918 -1.321 2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.532 -1.727 2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.875 -3.342 3.325 1.00 0.00 H new ATOM 841 N ARG A 61 7.362 -0.877 -9.522 1.00 0.00 N ATOM 842 CA ARG A 61 7.115 -2.310 -9.636 1.00 0.00 C ATOM 843 C ARG A 61 5.629 -2.588 -9.840 1.00 0.00 C ATOM 844 O ARG A 61 5.251 -3.611 -10.411 1.00 0.00 O ATOM 845 CB ARG A 61 7.616 -3.041 -8.387 1.00 0.00 C ATOM 846 CG ARG A 61 9.114 -2.913 -8.162 1.00 0.00 C ATOM 847 CD ARG A 61 9.909 -3.565 -9.282 1.00 0.00 C ATOM 848 NE ARG A 61 9.604 -4.986 -9.416 1.00 0.00 N ATOM 849 CZ ARG A 61 10.237 -5.801 -10.256 1.00 0.00 C ATOM 850 NH1 ARG A 61 11.207 -5.335 -11.032 1.00 0.00 N ATOM 851 NH2 ARG A 61 9.902 -7.082 -10.319 1.00 0.00 N ATOM 0 HA ARG A 61 7.661 -2.679 -10.504 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.092 -2.651 -7.514 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.359 -4.097 -8.468 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.383 -1.859 -8.091 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.380 -3.374 -7.211 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.693 -3.058 -10.222 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.975 -3.440 -9.090 1.00 0.00 H new ATOM 0 HE ARG A 61 8.864 -5.376 -8.833 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.469 -4.350 -10.985 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.691 -5.961 -11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.158 -7.444 -9.723 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.388 -7.705 -10.964 1.00 0.00 H new ATOM 865 N GLY A 62 4.792 -1.669 -9.369 1.00 0.00 N ATOM 866 CA GLY A 62 3.356 -1.826 -9.509 1.00 0.00 C ATOM 867 C GLY A 62 2.603 -0.548 -9.194 1.00 0.00 C ATOM 868 O GLY A 62 3.135 0.345 -8.534 1.00 0.00 O ATOM 0 H GLY A 62 5.084 -0.816 -8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.125 -2.140 -10.527 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.013 -2.620 -8.845 1.00 0.00 H new ATOM 872 N ILE A 63 1.362 -0.461 -9.666 1.00 0.00 N ATOM 873 CA ILE A 63 0.538 0.720 -9.437 1.00 0.00 C ATOM 874 C ILE A 63 -0.927 0.349 -9.230 1.00 0.00 C ATOM 875 O ILE A 63 -1.528 -0.330 -10.063 1.00 0.00 O ATOM 876 CB ILE A 63 0.627 1.710 -10.618 1.00 0.00 C ATOM 877 CG1 ILE A 63 2.080 2.115 -10.873 1.00 0.00 C ATOM 878 CG2 ILE A 63 -0.232 2.937 -10.346 1.00 0.00 C ATOM 879 CD1 ILE A 63 2.257 3.031 -12.066 1.00 0.00 C ATOM 0 H ILE A 63 0.906 -1.194 -10.209 1.00 0.00 H new ATOM 0 HA ILE A 63 0.926 1.193 -8.534 1.00 0.00 H new ATOM 0 HB ILE A 63 0.249 1.215 -11.513 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.471 2.611 -9.984 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.677 1.216 -11.025 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.159 3.626 -11.187 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.270 2.632 -10.215 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.118 3.432 -9.440 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.313 3.275 -12.184 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.898 2.531 -12.965 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.688 3.947 -11.909 1.00 0.00 H new ATOM 891 N LEU A 64 -1.496 0.797 -8.115 1.00 0.00 N ATOM 892 CA LEU A 64 -2.896 0.532 -7.815 1.00 0.00 C ATOM 893 C LEU A 64 -3.772 1.630 -8.404 1.00 0.00 C ATOM 894 O LEU A 64 -3.792 2.752 -7.899 1.00 0.00 O ATOM 895 CB LEU A 64 -3.132 0.450 -6.301 1.00 0.00 C ATOM 896 CG LEU A 64 -2.600 -0.809 -5.606 1.00 0.00 C ATOM 897 CD1 LEU A 64 -3.171 -2.062 -6.251 1.00 0.00 C ATOM 898 CD2 LEU A 64 -1.079 -0.838 -5.633 1.00 0.00 C ATOM 0 H LEU A 64 -1.008 1.345 -7.406 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.159 -0.428 -8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.672 1.321 -5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.204 0.518 -6.116 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.922 -0.783 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.780 -2.943 -5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.258 -2.049 -6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.884 -2.093 -7.302 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.723 -1.740 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.733 -0.835 -6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.689 0.039 -5.117 1.00 0.00 H new ATOM 910 N ASP A 65 -4.485 1.306 -9.478 1.00 0.00 N ATOM 911 CA ASP A 65 -5.360 2.274 -10.127 1.00 0.00 C ATOM 912 C ASP A 65 -6.336 2.875 -9.119 1.00 0.00 C ATOM 913 O ASP A 65 -6.852 3.974 -9.319 1.00 0.00 O ATOM 914 CB ASP A 65 -6.134 1.612 -11.268 1.00 0.00 C ATOM 915 CG ASP A 65 -5.218 0.971 -12.292 1.00 0.00 C ATOM 916 OD1 ASP A 65 -4.884 -0.221 -12.125 1.00 0.00 O ATOM 917 OD2 ASP A 65 -4.836 1.661 -13.260 1.00 0.00 O ATOM 0 H ASP A 65 -4.474 0.385 -9.915 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.741 3.073 -10.536 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.803 0.855 -10.858 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.759 2.357 -11.760 1.00 0.00 H new ATOM 922 N LEU A 66 -6.578 2.139 -8.036 1.00 0.00 N ATOM 923 CA LEU A 66 -7.490 2.576 -6.982 1.00 0.00 C ATOM 924 C LEU A 66 -8.920 2.699 -7.503 1.00 0.00 C ATOM 925 O LEU A 66 -9.830 3.066 -6.762 1.00 0.00 O ATOM 926 CB LEU A 66 -7.028 3.906 -6.379 1.00 0.00 C ATOM 927 CG LEU A 66 -5.735 3.835 -5.560 1.00 0.00 C ATOM 928 CD1 LEU A 66 -5.349 5.213 -5.048 1.00 0.00 C ATOM 929 CD2 LEU A 66 -5.888 2.861 -4.399 1.00 0.00 C ATOM 0 H LEU A 66 -6.150 1.229 -7.865 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.478 1.817 -6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.889 4.624 -7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.823 4.293 -5.741 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.939 3.473 -6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.428 5.141 -4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.195 5.885 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.146 5.602 -4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.959 2.825 -3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.699 3.193 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.116 1.867 -4.785 1.00 0.00 H new ATOM 941 N ASN A 67 -9.109 2.391 -8.781 1.00 0.00 N ATOM 942 CA ASN A 67 -10.429 2.447 -9.395 1.00 0.00 C ATOM 943 C ASN A 67 -10.981 1.040 -9.584 1.00 0.00 C ATOM 944 O ASN A 67 -12.114 0.857 -10.031 1.00 0.00 O ATOM 945 CB ASN A 67 -10.367 3.170 -10.742 1.00 0.00 C ATOM 946 CG ASN A 67 -9.979 4.628 -10.601 1.00 0.00 C ATOM 947 OD1 ASN A 67 -8.804 4.982 -10.689 1.00 0.00 O ATOM 948 ND2 ASN A 67 -10.969 5.484 -10.378 1.00 0.00 N ATOM 0 H ASN A 67 -8.363 2.100 -9.413 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.093 3.003 -8.733 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.648 2.667 -11.388 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.338 3.102 -11.232 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.769 6.479 -10.272 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -11.929 5.147 -10.312 1.00 0.00 H new ATOM 955 N THR A 68 -10.166 0.047 -9.239 1.00 0.00 N ATOM 956 CA THR A 68 -10.558 -1.351 -9.366 1.00 0.00 C ATOM 957 C THR A 68 -10.060 -2.175 -8.182 1.00 0.00 C ATOM 958 O THR A 68 -9.580 -3.294 -8.352 1.00 0.00 O ATOM 959 CB THR A 68 -10.020 -1.969 -10.669 1.00 0.00 C ATOM 960 OG1 THR A 68 -8.608 -1.753 -10.770 1.00 0.00 O ATOM 961 CG2 THR A 68 -10.719 -1.371 -11.882 1.00 0.00 C ATOM 0 H THR A 68 -9.226 0.187 -8.868 1.00 0.00 H new ATOM 0 HA THR A 68 -11.648 -1.371 -9.385 1.00 0.00 H new ATOM 0 HB THR A 68 -10.221 -3.040 -10.645 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.275 -2.151 -11.601 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.322 -1.823 -12.791 1.00 0.00 H new ATOM 0 HG22 THR A 68 -11.790 -1.566 -11.818 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.547 -0.295 -11.907 1.00 0.00 H new ATOM 969 N TYR A 69 -10.176 -1.612 -6.982 1.00 0.00 N ATOM 970 CA TYR A 69 -9.746 -2.302 -5.769 1.00 0.00 C ATOM 971 C TYR A 69 -10.595 -1.881 -4.574 1.00 0.00 C ATOM 972 O TYR A 69 -11.393 -0.947 -4.660 1.00 0.00 O ATOM 973 CB TYR A 69 -8.273 -2.014 -5.464 1.00 0.00 C ATOM 974 CG TYR A 69 -7.302 -2.952 -6.144 1.00 0.00 C ATOM 975 CD1 TYR A 69 -6.917 -4.137 -5.530 1.00 0.00 C ATOM 976 CD2 TYR A 69 -6.765 -2.654 -7.390 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.024 -4.998 -6.138 1.00 0.00 C ATOM 978 CE2 TYR A 69 -5.873 -3.511 -8.005 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.505 -4.682 -7.375 1.00 0.00 C ATOM 980 OH TYR A 69 -4.616 -5.538 -7.985 1.00 0.00 O ATOM 0 H TYR A 69 -10.563 -0.682 -6.824 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.872 -3.371 -5.942 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.045 -0.992 -5.766 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.120 -2.070 -4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.322 -4.389 -4.561 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.049 -1.738 -7.886 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.734 -5.915 -5.646 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.466 -3.265 -8.975 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.347 -5.168 -8.852 1.00 0.00 H new ATOM 990 N ASN A 70 -10.411 -2.580 -3.459 1.00 0.00 N ATOM 991 CA ASN A 70 -11.142 -2.290 -2.230 1.00 0.00 C ATOM 992 C ASN A 70 -10.232 -2.472 -1.018 1.00 0.00 C ATOM 993 O ASN A 70 -9.740 -3.568 -0.762 1.00 0.00 O ATOM 994 CB ASN A 70 -12.362 -3.206 -2.114 1.00 0.00 C ATOM 995 CG ASN A 70 -13.396 -2.930 -3.186 1.00 0.00 C ATOM 996 OD1 ASN A 70 -13.638 -1.779 -3.549 1.00 0.00 O ATOM 997 ND2 ASN A 70 -14.006 -3.988 -3.709 1.00 0.00 N ATOM 0 H ASN A 70 -9.756 -3.358 -3.381 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.481 -1.254 -2.261 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.040 -4.245 -2.182 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.817 -3.077 -1.132 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.705 -3.863 -4.441 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.775 -4.925 -3.379 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.027 -1.402 -0.260 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.159 -1.465 0.911 1.00 0.00 C ATOM 1006 C VAL A 71 -9.963 -1.722 2.183 1.00 0.00 C ATOM 1007 O VAL A 71 -10.912 -1.002 2.495 1.00 0.00 O ATOM 1008 CB VAL A 71 -8.310 -0.178 1.063 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.980 0.998 0.372 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.042 0.138 2.528 1.00 0.00 C ATOM 0 H VAL A 71 -10.445 -0.488 -0.432 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.478 -2.302 0.758 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.350 -0.356 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.365 1.890 0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.096 0.778 -0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.960 1.171 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.444 1.046 2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.989 0.284 3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.501 -0.690 2.986 1.00 0.00 H new ATOM 1020 N VAL A 72 -9.565 -2.765 2.907 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.231 -3.157 4.143 1.00 0.00 C ATOM 1022 C VAL A 72 -9.246 -3.203 5.307 1.00 0.00 C ATOM 1023 O VAL A 72 -8.050 -3.409 5.111 1.00 0.00 O ATOM 1024 CB VAL A 72 -10.898 -4.539 3.994 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.319 -4.397 3.471 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -10.076 -5.438 3.083 1.00 0.00 C ATOM 0 H VAL A 72 -8.775 -3.359 2.654 1.00 0.00 H new ATOM 0 HA VAL A 72 -10.995 -2.407 4.350 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.943 -5.003 4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.771 -5.384 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.905 -3.797 4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.301 -3.908 2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.565 -6.408 2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.993 -4.979 2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.080 -5.572 3.506 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.756 -3.009 6.521 1.00 0.00 N ATOM 1037 CA LYS A 73 -8.917 -3.030 7.714 1.00 0.00 C ATOM 1038 C LYS A 73 -8.936 -4.405 8.377 1.00 0.00 C ATOM 1039 O LYS A 73 -9.916 -4.780 9.021 1.00 0.00 O ATOM 1040 CB LYS A 73 -9.384 -1.966 8.710 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.529 -1.891 9.967 1.00 0.00 C ATOM 1042 CD LYS A 73 -9.054 -0.848 10.943 1.00 0.00 C ATOM 1043 CE LYS A 73 -10.413 -1.238 11.502 1.00 0.00 C ATOM 1044 NZ LYS A 73 -10.918 -0.240 12.485 1.00 0.00 N ATOM 0 H LYS A 73 -10.745 -2.836 6.703 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.894 -2.811 7.408 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.379 -0.993 8.219 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.416 -2.174 8.994 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.509 -2.867 10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.502 -1.650 9.694 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.345 -0.725 11.762 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.130 0.116 10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.127 -1.335 10.684 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.342 -2.215 11.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.847 -0.543 12.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.250 -0.165 13.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.011 0.687 12.022 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.849 -5.152 8.211 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.735 -6.481 8.801 1.00 0.00 C ATOM 1060 C ALA A 74 -7.154 -6.402 10.214 1.00 0.00 C ATOM 1061 O ALA A 74 -6.041 -5.905 10.405 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.869 -7.375 7.924 1.00 0.00 C ATOM 0 H ALA A 74 -7.034 -4.859 7.672 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.734 -6.912 8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.792 -8.364 8.376 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.320 -7.462 6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.874 -6.940 7.832 1.00 0.00 H new ATOM 1068 N PRO A 75 -7.896 -6.895 11.227 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.451 -6.880 12.620 1.00 0.00 C ATOM 1070 C PRO A 75 -6.496 -8.024 12.939 1.00 0.00 C ATOM 1071 O PRO A 75 -6.334 -8.951 12.143 1.00 0.00 O ATOM 1072 CB PRO A 75 -8.752 -7.036 13.425 1.00 0.00 C ATOM 1073 CG PRO A 75 -9.860 -7.119 12.420 1.00 0.00 C ATOM 1074 CD PRO A 75 -9.228 -7.494 11.111 1.00 0.00 C ATOM 0 HA PRO A 75 -6.898 -5.970 12.852 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.721 -7.932 14.045 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -8.898 -6.190 14.096 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.599 -7.862 12.720 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.381 -6.165 12.339 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.178 -8.575 10.978 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.782 -7.093 10.262 1.00 0.00 H new ATOM 1082 N GLN A 76 -5.866 -7.953 14.109 1.00 0.00 N ATOM 1083 CA GLN A 76 -4.927 -8.984 14.545 1.00 0.00 C ATOM 1084 C GLN A 76 -3.823 -9.191 13.516 1.00 0.00 C ATOM 1085 O GLN A 76 -3.168 -10.233 13.494 1.00 0.00 O ATOM 1086 CB GLN A 76 -5.665 -10.300 14.792 1.00 0.00 C ATOM 1087 CG GLN A 76 -6.811 -10.170 15.780 1.00 0.00 C ATOM 1088 CD GLN A 76 -7.402 -11.510 16.171 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -6.708 -12.526 16.188 1.00 0.00 O ATOM 1090 NE2 GLN A 76 -8.692 -11.517 16.489 1.00 0.00 N ATOM 0 H GLN A 76 -5.989 -7.190 14.774 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.468 -8.651 15.476 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.052 -10.675 13.844 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.957 -11.041 15.163 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.457 -9.659 16.675 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.592 -9.547 15.344 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.229 -10.650 16.461 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.145 -12.389 16.761 1.00 0.00 H new ATOM 1099 N GLY A 77 -3.618 -8.187 12.671 1.00 0.00 N ATOM 1100 CA GLY A 77 -2.594 -8.276 11.649 1.00 0.00 C ATOM 1101 C GLY A 77 -2.940 -9.285 10.571 1.00 0.00 C ATOM 1102 O GLY A 77 -4.105 -9.435 10.204 1.00 0.00 O ATOM 0 H GLY A 77 -4.143 -7.313 12.676 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.453 -7.296 11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.646 -8.552 12.111 1.00 0.00 H new ATOM 1106 N LYS A 78 -1.926 -9.978 10.064 1.00 0.00 N ATOM 1107 CA LYS A 78 -2.129 -10.977 9.023 1.00 0.00 C ATOM 1108 C LYS A 78 -1.099 -12.097 9.132 1.00 0.00 C ATOM 1109 O LYS A 78 -1.437 -13.278 9.042 1.00 0.00 O ATOM 1110 CB LYS A 78 -2.050 -10.323 7.648 1.00 0.00 C ATOM 1111 CG LYS A 78 -2.433 -11.255 6.514 1.00 0.00 C ATOM 1112 CD LYS A 78 -3.855 -11.777 6.664 1.00 0.00 C ATOM 1113 CE LYS A 78 -4.868 -10.644 6.695 1.00 0.00 C ATOM 1114 NZ LYS A 78 -6.268 -11.150 6.710 1.00 0.00 N ATOM 0 H LYS A 78 -0.956 -9.866 10.358 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.120 -11.412 9.156 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.706 -9.452 7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.035 -9.961 7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.338 -10.729 5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.739 -12.095 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.085 -12.449 5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.934 -12.361 7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.696 -10.027 7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.723 -10.004 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.920 -10.362 6.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.495 -11.571 5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.369 -11.871 7.453 1.00 0.00 H new ATOM 1128 N ASN A 79 0.158 -11.716 9.325 1.00 0.00 N ATOM 1129 CA ASN A 79 1.245 -12.681 9.450 1.00 0.00 C ATOM 1130 C ASN A 79 1.950 -12.520 10.792 1.00 0.00 C ATOM 1131 O ASN A 79 1.702 -13.276 11.733 1.00 0.00 O ATOM 1132 CB ASN A 79 2.246 -12.499 8.307 1.00 0.00 C ATOM 1133 CG ASN A 79 1.632 -12.790 6.951 1.00 0.00 C ATOM 1134 OD1 ASN A 79 1.661 -13.923 6.473 1.00 0.00 O ATOM 1135 ND2 ASN A 79 1.072 -11.762 6.323 1.00 0.00 N ATOM 0 H ASN A 79 0.451 -10.742 9.399 1.00 0.00 H new ATOM 0 HA ASN A 79 0.824 -13.685 9.396 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.626 -11.477 8.319 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.099 -13.159 8.466 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.643 -11.896 5.407 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.071 -10.839 6.757 1.00 0.00 H new ATOM 1142 N GLN A 80 2.829 -11.529 10.871 1.00 0.00 N ATOM 1143 CA GLN A 80 3.568 -11.245 12.095 1.00 0.00 C ATOM 1144 C GLN A 80 3.335 -9.799 12.509 1.00 0.00 C ATOM 1145 O GLN A 80 4.051 -9.249 13.346 1.00 0.00 O ATOM 1146 CB GLN A 80 5.061 -11.502 11.887 1.00 0.00 C ATOM 1147 CG GLN A 80 5.378 -12.922 11.449 1.00 0.00 C ATOM 1148 CD GLN A 80 6.857 -13.139 11.196 1.00 0.00 C ATOM 1149 OE1 GLN A 80 7.706 -12.502 11.820 1.00 0.00 O ATOM 1150 NE2 GLN A 80 7.173 -14.043 10.277 1.00 0.00 N ATOM 0 H GLN A 80 3.049 -10.904 10.095 1.00 0.00 H new ATOM 0 HA GLN A 80 3.212 -11.905 12.886 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.440 -10.806 11.138 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.591 -11.290 12.816 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.038 -13.619 12.215 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.821 -13.151 10.541 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.437 -14.548 9.784 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.152 -14.233 10.064 1.00 0.00 H new ATOM 1159 N LYS A 81 2.313 -9.197 11.909 1.00 0.00 N ATOM 1160 CA LYS A 81 1.956 -7.811 12.178 1.00 0.00 C ATOM 1161 C LYS A 81 0.818 -7.717 13.189 1.00 0.00 C ATOM 1162 O LYS A 81 0.356 -8.726 13.722 1.00 0.00 O ATOM 1163 CB LYS A 81 1.538 -7.134 10.874 1.00 0.00 C ATOM 1164 CG LYS A 81 2.704 -6.829 9.959 1.00 0.00 C ATOM 1165 CD LYS A 81 3.570 -5.724 10.529 1.00 0.00 C ATOM 1166 CE LYS A 81 4.959 -5.748 9.928 1.00 0.00 C ATOM 1167 NZ LYS A 81 5.664 -7.027 10.212 1.00 0.00 N ATOM 0 H LYS A 81 1.711 -9.656 11.225 1.00 0.00 H new ATOM 0 HA LYS A 81 2.827 -7.309 12.600 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.831 -7.777 10.349 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.014 -6.207 11.106 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.303 -7.728 9.817 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.333 -6.535 8.977 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.104 -4.758 10.335 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.638 -5.834 11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.891 -5.603 8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.541 -4.917 10.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.583 -6.826 10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.088 -7.605 10.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.815 -7.545 9.323 1.00 0.00 H new ATOM 1181 N SER A 82 0.373 -6.490 13.446 1.00 0.00 N ATOM 1182 CA SER A 82 -0.722 -6.243 14.377 1.00 0.00 C ATOM 1183 C SER A 82 -1.816 -5.432 13.690 1.00 0.00 C ATOM 1184 O SER A 82 -2.998 -5.562 14.007 1.00 0.00 O ATOM 1185 CB SER A 82 -0.216 -5.502 15.616 1.00 0.00 C ATOM 1186 OG SER A 82 0.784 -6.250 16.286 1.00 0.00 O ATOM 0 H SER A 82 0.757 -5.647 13.019 1.00 0.00 H new ATOM 0 HA SER A 82 -1.134 -7.201 14.693 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.186 -4.532 15.324 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.048 -5.312 16.294 1.00 0.00 H new ATOM 0 HG SER A 82 1.092 -5.754 17.073 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.398 -4.596 12.746 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.317 -3.760 11.982 1.00 0.00 C ATOM 1194 C PHE A 83 -2.092 -3.982 10.491 1.00 0.00 C ATOM 1195 O PHE A 83 -1.077 -3.551 9.943 1.00 0.00 O ATOM 1196 CB PHE A 83 -2.102 -2.287 12.327 1.00 0.00 C ATOM 1197 CG PHE A 83 -2.015 -2.011 13.801 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -3.107 -2.222 14.628 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.838 -1.536 14.359 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -3.026 -1.965 15.984 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.751 -1.278 15.712 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.847 -1.493 16.526 1.00 0.00 C ATOM 0 H PHE A 83 -0.418 -4.479 12.490 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.341 -4.033 12.237 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.185 -1.942 11.849 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.920 -1.703 11.906 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.031 -2.591 14.209 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.021 -1.366 13.727 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.884 -2.133 16.618 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.172 -0.909 16.134 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.781 -1.292 17.585 1.00 0.00 H new ATOM 1212 N VAL A 84 -3.032 -4.654 9.833 1.00 0.00 N ATOM 1213 CA VAL A 84 -2.894 -4.941 8.408 1.00 0.00 C ATOM 1214 C VAL A 84 -4.154 -4.596 7.623 1.00 0.00 C ATOM 1215 O VAL A 84 -5.269 -4.772 8.106 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.561 -6.433 8.180 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.643 -6.798 6.704 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.189 -6.770 8.739 1.00 0.00 C ATOM 0 H VAL A 84 -3.889 -5.007 10.258 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.079 -4.315 8.046 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.305 -7.025 8.713 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.403 -7.854 6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.652 -6.608 6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.932 -6.194 6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.975 -7.825 8.568 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.434 -6.161 8.242 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.172 -6.566 9.810 1.00 0.00 H new ATOM 1228 N PHE A 85 -3.954 -4.094 6.408 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.057 -3.760 5.515 1.00 0.00 C ATOM 1230 C PHE A 85 -4.976 -4.647 4.278 1.00 0.00 C ATOM 1231 O PHE A 85 -3.925 -5.222 3.996 1.00 0.00 O ATOM 1232 CB PHE A 85 -5.027 -2.281 5.118 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.661 -1.371 6.130 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -5.105 -1.216 7.390 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -6.812 -0.666 5.818 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.686 -0.376 8.320 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.399 0.175 6.743 1.00 0.00 C ATOM 1238 CZ PHE A 85 -6.835 0.321 7.995 1.00 0.00 C ATOM 0 H PHE A 85 -3.030 -3.909 6.018 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.999 -3.936 6.035 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.992 -1.976 4.966 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.538 -2.160 4.163 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.207 -1.758 7.648 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.256 -0.775 4.839 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.244 -0.264 9.299 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.297 0.717 6.488 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.291 0.979 8.720 1.00 0.00 H new ATOM 1248 N ILE A 86 -6.072 -4.766 3.541 1.00 0.00 N ATOM 1249 CA ILE A 86 -6.083 -5.618 2.358 1.00 0.00 C ATOM 1250 C ILE A 86 -6.779 -4.965 1.171 1.00 0.00 C ATOM 1251 O ILE A 86 -7.834 -4.348 1.315 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.788 -6.953 2.656 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -6.136 -7.645 3.852 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -6.762 -7.856 1.431 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -6.892 -8.868 4.326 1.00 0.00 C ATOM 0 H ILE A 86 -6.953 -4.291 3.736 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.038 -5.786 2.098 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.829 -6.747 2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.120 -7.936 3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.057 -6.934 4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.265 -8.795 1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.274 -7.363 0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.728 -8.057 1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.373 -9.309 5.177 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.900 -8.580 4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.948 -9.597 3.518 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.178 -5.111 -0.004 1.00 0.00 N ATOM 1268 CA LEU A 87 -6.752 -4.578 -1.230 1.00 0.00 C ATOM 1269 C LEU A 87 -7.456 -5.698 -1.980 1.00 0.00 C ATOM 1270 O LEU A 87 -6.887 -6.771 -2.186 1.00 0.00 O ATOM 1271 CB LEU A 87 -5.678 -3.941 -2.115 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.179 -2.569 -1.655 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.156 -2.022 -2.639 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.338 -1.596 -1.501 1.00 0.00 C ATOM 0 H LEU A 87 -5.290 -5.596 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.470 -3.800 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.826 -4.619 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.074 -3.845 -3.126 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.701 -2.687 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.810 -1.046 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.309 -2.706 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.615 -1.922 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.959 -0.628 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.847 -1.482 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.040 -1.980 -0.761 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.691 -5.445 -2.389 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.476 -6.445 -3.094 1.00 0.00 C ATOM 1288 C GLU A 88 -9.833 -5.956 -4.494 1.00 0.00 C ATOM 1289 O GLU A 88 -10.670 -5.069 -4.652 1.00 0.00 O ATOM 1290 CB GLU A 88 -10.748 -6.769 -2.309 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.484 -7.252 -0.890 1.00 0.00 C ATOM 1292 CD GLU A 88 -11.757 -7.610 -0.151 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.342 -6.714 0.495 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.170 -8.787 -0.215 1.00 0.00 O ATOM 0 H GLU A 88 -9.170 -4.556 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.878 -7.352 -3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.377 -5.879 -2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.311 -7.533 -2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.830 -8.123 -0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.954 -6.476 -0.338 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.202 -6.533 -5.531 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.452 -6.142 -6.919 1.00 0.00 C ATOM 1303 C PRO A 89 -10.923 -6.243 -7.296 1.00 0.00 C ATOM 1304 O PRO A 89 -11.673 -7.029 -6.719 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.623 -7.135 -7.740 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.291 -8.243 -6.800 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.212 -7.617 -5.442 1.00 0.00 C ATOM 0 HA PRO A 89 -9.182 -5.101 -7.094 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.186 -7.503 -8.598 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.720 -6.666 -8.129 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.054 -9.021 -6.828 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.345 -8.714 -7.069 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.459 -8.328 -4.653 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.213 -7.237 -5.228 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.324 -5.438 -8.272 1.00 0.00 N ATOM 1316 CA LYS A 90 -12.701 -5.427 -8.740 1.00 0.00 C ATOM 1317 C LYS A 90 -12.756 -5.725 -10.233 1.00 0.00 C ATOM 1318 O LYS A 90 -13.829 -5.728 -10.837 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.346 -4.069 -8.457 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.216 -3.623 -7.008 1.00 0.00 C ATOM 1321 CD LYS A 90 -13.820 -2.243 -6.790 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.327 -2.250 -6.994 1.00 0.00 C ATOM 1323 NZ LYS A 90 -15.922 -0.901 -6.789 1.00 0.00 N ATOM 0 H LYS A 90 -10.711 -4.782 -8.756 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.253 -6.200 -8.206 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.890 -3.318 -9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.403 -4.116 -8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.712 -4.345 -6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.164 -3.609 -6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.591 -1.901 -5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.363 -1.533 -7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.555 -2.598 -8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.784 -2.957 -6.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -16.950 -0.949 -6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.727 -0.579 -5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.505 -0.231 -7.467 1.00 0.00 H new ATOM 1337 N GLN A 91 -11.590 -5.978 -10.825 1.00 0.00 N ATOM 1338 CA GLN A 91 -11.510 -6.272 -12.252 1.00 0.00 C ATOM 1339 C GLN A 91 -12.229 -7.575 -12.586 1.00 0.00 C ATOM 1340 O GLN A 91 -13.313 -7.563 -13.169 1.00 0.00 O ATOM 1341 CB GLN A 91 -10.048 -6.348 -12.702 1.00 0.00 C ATOM 1342 CG GLN A 91 -9.881 -6.653 -14.182 1.00 0.00 C ATOM 1343 CD GLN A 91 -10.552 -5.622 -15.070 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -11.722 -5.759 -15.424 1.00 0.00 O ATOM 1345 NE2 GLN A 91 -9.809 -4.583 -15.434 1.00 0.00 N ATOM 0 H GLN A 91 -10.693 -5.985 -10.340 1.00 0.00 H new ATOM 0 HA GLN A 91 -12.004 -5.462 -12.788 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.558 -5.401 -12.477 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.538 -7.116 -12.122 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -8.819 -6.698 -14.422 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -10.298 -7.637 -14.396 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.842 -4.511 -15.116 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -10.205 -3.857 -16.031 1.00 0.00 H new ATOM 1354 N GLN A 92 -11.621 -8.696 -12.213 1.00 0.00 N ATOM 1355 CA GLN A 92 -12.209 -10.007 -12.476 1.00 0.00 C ATOM 1356 C GLN A 92 -11.758 -11.031 -11.438 1.00 0.00 C ATOM 1357 O GLN A 92 -12.482 -11.324 -10.487 1.00 0.00 O ATOM 1358 CB GLN A 92 -11.834 -10.485 -13.880 1.00 0.00 C ATOM 1359 CG GLN A 92 -13.032 -10.698 -14.791 1.00 0.00 C ATOM 1360 CD GLN A 92 -12.637 -11.155 -16.183 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -11.533 -11.889 -16.277 1.00 0.00 O flip ATOM 1362 NE2 GLN A 92 -13.317 -10.854 -17.163 1.00 0.00 N flip ATOM 0 H GLN A 92 -10.724 -8.725 -11.729 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.293 -9.908 -12.410 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.166 -9.755 -14.337 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.278 -11.419 -13.800 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.695 -11.439 -14.345 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -13.596 -9.768 -14.865 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.158 -10.288 -17.046 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -13.040 -11.170 -18.092 1.00 0.00 H new ATOM 1371 N GLY A 93 -10.558 -11.571 -11.629 1.00 0.00 N ATOM 1372 CA GLY A 93 -10.032 -12.558 -10.702 1.00 0.00 C ATOM 1373 C GLY A 93 -8.614 -12.246 -10.268 1.00 0.00 C ATOM 1374 O GLY A 93 -7.812 -13.152 -10.041 1.00 0.00 O ATOM 0 H GLY A 93 -9.941 -11.343 -12.408 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.675 -12.606 -9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.057 -13.542 -11.170 1.00 0.00 H new ATOM 1378 N ASP A 94 -8.308 -10.959 -10.153 1.00 0.00 N ATOM 1379 CA ASP A 94 -6.977 -10.521 -9.743 1.00 0.00 C ATOM 1380 C ASP A 94 -6.710 -10.900 -8.287 1.00 0.00 C ATOM 1381 O ASP A 94 -7.644 -11.151 -7.525 1.00 0.00 O ATOM 1382 CB ASP A 94 -6.841 -9.008 -9.928 1.00 0.00 C ATOM 1383 CG ASP A 94 -7.858 -8.448 -10.902 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -9.043 -8.336 -10.523 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -7.471 -8.126 -12.044 1.00 0.00 O ATOM 0 H ASP A 94 -8.963 -10.199 -10.338 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.240 -11.022 -10.370 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.958 -8.515 -8.963 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.837 -8.778 -10.284 1.00 0.00 H new ATOM 1390 N PRO A 95 -5.427 -10.950 -7.879 1.00 0.00 N ATOM 1391 CA PRO A 95 -5.044 -11.304 -6.512 1.00 0.00 C ATOM 1392 C PRO A 95 -5.070 -10.109 -5.557 1.00 0.00 C ATOM 1393 O PRO A 95 -4.913 -8.964 -5.982 1.00 0.00 O ATOM 1394 CB PRO A 95 -3.617 -11.809 -6.693 1.00 0.00 C ATOM 1395 CG PRO A 95 -3.078 -10.998 -7.823 1.00 0.00 C ATOM 1396 CD PRO A 95 -4.246 -10.677 -8.722 1.00 0.00 C ATOM 0 HA PRO A 95 -5.729 -12.025 -6.065 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.028 -11.669 -5.787 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.599 -12.874 -6.924 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.610 -10.085 -7.455 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.312 -11.552 -8.366 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.222 -9.639 -9.053 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.243 -11.297 -9.618 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.269 -10.364 -4.248 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.304 -9.312 -3.231 1.00 0.00 C ATOM 1406 C PRO A 96 -3.905 -8.902 -2.778 1.00 0.00 C ATOM 1407 O PRO A 96 -2.923 -9.576 -3.089 1.00 0.00 O ATOM 1408 CB PRO A 96 -6.063 -9.976 -2.086 1.00 0.00 C ATOM 1409 CG PRO A 96 -5.708 -11.419 -2.192 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.482 -11.701 -3.658 1.00 0.00 C ATOM 0 HA PRO A 96 -5.763 -8.394 -3.596 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.767 -9.564 -1.121 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.138 -9.823 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -4.812 -11.641 -1.612 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.508 -12.045 -1.796 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.618 -12.348 -3.812 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.340 -12.203 -4.105 1.00 0.00 H new ATOM 1418 N VAL A 97 -3.817 -7.794 -2.043 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.530 -7.304 -1.553 1.00 0.00 C ATOM 1420 C VAL A 97 -2.629 -6.836 -0.103 1.00 0.00 C ATOM 1421 O VAL A 97 -3.464 -5.995 0.232 1.00 0.00 O ATOM 1422 CB VAL A 97 -2.003 -6.143 -2.420 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.604 -5.738 -1.984 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -2.020 -6.520 -3.894 1.00 0.00 C ATOM 0 H VAL A 97 -4.617 -7.221 -1.775 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.833 -8.140 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.664 -5.287 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.251 -4.917 -2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.626 -5.417 -0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.070 -6.588 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.644 -5.686 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.387 -7.393 -4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.041 -6.751 -4.199 1.00 0.00 H new ATOM 1434 N GLU A 98 -1.769 -7.383 0.754 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.761 -7.022 2.169 1.00 0.00 C ATOM 1436 C GLU A 98 -0.741 -5.921 2.453 1.00 0.00 C ATOM 1437 O GLU A 98 0.352 -5.910 1.887 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.438 -8.247 3.029 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.577 -9.249 3.125 1.00 0.00 C ATOM 1440 CD GLU A 98 -2.990 -9.800 1.775 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -2.400 -10.811 1.341 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -3.904 -9.222 1.152 1.00 0.00 O ATOM 0 H GLU A 98 -1.069 -8.078 0.493 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.754 -6.651 2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.561 -8.747 2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.174 -7.915 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.276 -10.073 3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.436 -8.771 3.596 1.00 0.00 H new ATOM 1449 N PHE A 99 -1.112 -4.997 3.334 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.235 -3.891 3.714 1.00 0.00 C ATOM 1451 C PHE A 99 -0.142 -3.789 5.235 1.00 0.00 C ATOM 1452 O PHE A 99 -1.033 -4.249 5.947 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.763 -2.570 3.155 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.874 -2.517 1.659 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.856 -3.233 0.996 1.00 0.00 C ATOM 1456 CD2 PHE A 99 -0.002 -1.735 0.917 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -1.965 -3.174 -0.379 1.00 0.00 C ATOM 1458 CE2 PHE A 99 -0.108 -1.671 -0.458 1.00 0.00 C ATOM 1459 CZ PHE A 99 -1.090 -2.392 -1.107 1.00 0.00 C ATOM 0 H PHE A 99 -2.019 -4.991 3.801 1.00 0.00 H new ATOM 0 HA PHE A 99 0.754 -4.086 3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.746 -2.377 3.585 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.107 -1.764 3.485 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.544 -3.844 1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.769 -1.170 1.420 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.734 -3.739 -0.885 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.577 -1.058 -1.025 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.174 -2.345 -2.183 1.00 0.00 H new ATOM 1469 N ALA A 100 0.935 -3.185 5.735 1.00 0.00 N ATOM 1470 CA ALA A 100 1.111 -3.030 7.177 1.00 0.00 C ATOM 1471 C ALA A 100 2.097 -1.915 7.513 1.00 0.00 C ATOM 1472 O ALA A 100 2.843 -1.446 6.653 1.00 0.00 O ATOM 1473 CB ALA A 100 1.571 -4.339 7.795 1.00 0.00 C ATOM 0 H ALA A 100 1.691 -2.799 5.170 1.00 0.00 H new ATOM 0 HA ALA A 100 0.144 -2.753 7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.698 -4.209 8.870 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.825 -5.111 7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.521 -4.637 7.351 1.00 0.00 H new ATOM 1479 N THR A 101 2.089 -1.498 8.778 1.00 0.00 N ATOM 1480 CA THR A 101 2.984 -0.446 9.251 1.00 0.00 C ATOM 1481 C THR A 101 3.578 -0.811 10.607 1.00 0.00 C ATOM 1482 O THR A 101 3.415 -1.933 11.085 1.00 0.00 O ATOM 1483 CB THR A 101 2.255 0.906 9.372 1.00 0.00 C ATOM 1484 OG1 THR A 101 1.112 0.772 10.224 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.821 1.415 8.007 1.00 0.00 C ATOM 0 H THR A 101 1.470 -1.875 9.495 1.00 0.00 H new ATOM 0 HA THR A 101 3.781 -0.352 8.514 1.00 0.00 H new ATOM 0 HB THR A 101 2.948 1.628 9.805 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.372 0.955 11.151 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.309 2.370 8.121 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.697 1.546 7.372 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.145 0.694 7.548 1.00 0.00 H new ATOM 1493 N ASP A 102 4.269 0.144 11.224 1.00 0.00 N ATOM 1494 CA ASP A 102 4.885 -0.077 12.528 1.00 0.00 C ATOM 1495 C ASP A 102 4.421 0.972 13.532 1.00 0.00 C ATOM 1496 O ASP A 102 4.899 1.014 14.666 1.00 0.00 O ATOM 1497 CB ASP A 102 6.409 -0.047 12.407 1.00 0.00 C ATOM 1498 CG ASP A 102 6.939 -1.138 11.496 1.00 0.00 C ATOM 1499 OD1 ASP A 102 7.059 -0.889 10.279 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.233 -2.242 12.002 1.00 0.00 O ATOM 0 H ASP A 102 4.416 1.078 10.841 1.00 0.00 H new ATOM 0 HA ASP A 102 4.576 -1.059 12.887 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.721 0.925 12.025 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.851 -0.157 13.397 1.00 0.00 H new ATOM 1505 N ARG A 103 3.485 1.815 13.107 1.00 0.00 N ATOM 1506 CA ARG A 103 2.954 2.870 13.964 1.00 0.00 C ATOM 1507 C ARG A 103 1.475 3.104 13.677 1.00 0.00 C ATOM 1508 O ARG A 103 0.999 2.841 12.572 1.00 0.00 O ATOM 1509 CB ARG A 103 3.735 4.170 13.756 1.00 0.00 C ATOM 1510 CG ARG A 103 5.217 4.052 14.073 1.00 0.00 C ATOM 1511 CD ARG A 103 5.941 5.369 13.845 1.00 0.00 C ATOM 1512 NE ARG A 103 7.364 5.272 14.158 1.00 0.00 N ATOM 1513 CZ ARG A 103 8.244 6.236 13.903 1.00 0.00 C ATOM 1514 NH1 ARG A 103 7.847 7.366 13.330 1.00 0.00 N ATOM 1515 NH2 ARG A 103 9.520 6.073 14.221 1.00 0.00 N ATOM 0 H ARG A 103 3.078 1.788 12.172 1.00 0.00 H new ATOM 0 HA ARG A 103 3.063 2.552 15.001 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.619 4.491 12.721 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.300 4.949 14.382 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.345 3.740 15.109 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.663 3.277 13.449 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.818 5.675 12.806 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.486 6.144 14.462 1.00 0.00 H new ATOM 0 HE ARG A 103 7.702 4.416 14.597 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.866 7.496 13.085 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.523 8.104 13.135 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.829 5.207 14.662 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.193 6.814 14.024 1.00 0.00 H new ATOM 1529 N VAL A 104 0.751 3.599 14.676 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.672 3.870 14.526 1.00 0.00 C ATOM 1531 C VAL A 104 -0.905 5.101 13.656 1.00 0.00 C ATOM 1532 O VAL A 104 -1.909 5.191 12.947 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.357 4.078 15.891 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -1.387 2.774 16.674 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -0.654 5.170 16.683 1.00 0.00 C ATOM 0 H VAL A 104 1.128 3.820 15.598 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.111 2.997 14.043 1.00 0.00 H new ATOM 0 HB VAL A 104 -2.385 4.396 15.717 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.874 2.938 17.635 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.941 2.024 16.110 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.368 2.425 16.838 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.153 5.301 17.643 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.385 4.887 16.850 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.690 6.105 16.124 1.00 0.00 H new ATOM 1545 N GLU A 105 0.027 6.048 13.714 1.00 0.00 N ATOM 1546 CA GLU A 105 -0.075 7.270 12.925 1.00 0.00 C ATOM 1547 C GLU A 105 0.158 6.976 11.448 1.00 0.00 C ATOM 1548 O GLU A 105 -0.630 7.383 10.594 1.00 0.00 O ATOM 1549 CB GLU A 105 0.934 8.310 13.418 1.00 0.00 C ATOM 1550 CG GLU A 105 0.732 8.712 14.870 1.00 0.00 C ATOM 1551 CD GLU A 105 1.743 9.741 15.336 1.00 0.00 C ATOM 1552 OE1 GLU A 105 1.467 10.951 15.194 1.00 0.00 O ATOM 1553 OE2 GLU A 105 2.811 9.337 15.843 1.00 0.00 O ATOM 0 H GLU A 105 0.861 5.992 14.299 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.081 7.671 13.046 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.942 7.913 13.296 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.864 9.198 12.790 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.274 9.113 14.995 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.803 7.826 15.502 1.00 0.00 H new ATOM 1560 N GLU A 106 1.246 6.270 11.152 1.00 0.00 N ATOM 1561 CA GLU A 106 1.572 5.912 9.775 1.00 0.00 C ATOM 1562 C GLU A 106 0.472 5.041 9.188 1.00 0.00 C ATOM 1563 O GLU A 106 0.186 5.102 7.992 1.00 0.00 O ATOM 1564 CB GLU A 106 2.908 5.168 9.716 1.00 0.00 C ATOM 1565 CG GLU A 106 4.047 5.901 10.405 1.00 0.00 C ATOM 1566 CD GLU A 106 4.346 7.244 9.771 1.00 0.00 C ATOM 1567 OE1 GLU A 106 5.180 7.291 8.842 1.00 0.00 O ATOM 1568 OE2 GLU A 106 3.748 8.252 10.204 1.00 0.00 O ATOM 0 H GLU A 106 1.915 5.935 11.845 1.00 0.00 H new ATOM 0 HA GLU A 106 1.655 6.828 9.191 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.788 4.187 10.176 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.174 5.000 8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.796 6.048 11.456 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.943 5.282 10.374 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.140 4.225 10.041 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.217 3.343 9.615 1.00 0.00 C ATOM 1577 C LEU A 107 -2.412 4.158 9.145 1.00 0.00 C ATOM 1578 O LEU A 107 -2.875 4.014 8.015 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.646 2.428 10.765 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.617 1.313 10.371 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -1.851 0.045 10.044 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -3.625 1.054 11.478 1.00 0.00 C ATOM 0 H LEU A 107 0.093 4.158 11.032 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.851 2.732 8.790 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.756 1.977 11.203 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.110 3.037 11.541 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.165 1.632 9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.552 -0.742 9.765 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.170 0.235 9.215 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.280 -0.271 10.917 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.304 0.257 11.173 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.100 0.756 12.386 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.195 1.963 11.671 1.00 0.00 H new ATOM 1594 N PHE A 108 -2.896 5.025 10.024 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.039 5.870 9.719 1.00 0.00 C ATOM 1596 C PHE A 108 -3.715 6.860 8.606 1.00 0.00 C ATOM 1597 O PHE A 108 -4.598 7.281 7.872 1.00 0.00 O ATOM 1598 CB PHE A 108 -4.486 6.626 10.971 1.00 0.00 C ATOM 1599 CG PHE A 108 -5.879 6.284 11.416 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -6.102 5.238 12.298 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -6.966 7.007 10.953 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -7.381 4.921 12.710 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -8.249 6.694 11.361 1.00 0.00 C ATOM 1604 CZ PHE A 108 -8.457 5.650 12.240 1.00 0.00 C ATOM 0 H PHE A 108 -2.511 5.161 10.959 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.849 5.225 9.377 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.791 6.410 11.783 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.428 7.697 10.778 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -5.265 4.664 12.667 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.809 7.825 10.265 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -7.540 4.104 13.399 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.088 7.266 10.992 1.00 0.00 H new ATOM 0 HZ PHE A 108 -9.459 5.403 12.560 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.449 7.225 8.477 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.033 8.183 7.458 1.00 0.00 C ATOM 1616 C GLU A 109 -2.061 7.575 6.053 1.00 0.00 C ATOM 1617 O GLU A 109 -2.760 8.069 5.165 1.00 0.00 O ATOM 1618 CB GLU A 109 -0.628 8.701 7.780 1.00 0.00 C ATOM 1619 CG GLU A 109 0.041 9.431 6.627 1.00 0.00 C ATOM 1620 CD GLU A 109 1.322 10.128 7.043 1.00 0.00 C ATOM 1621 OE1 GLU A 109 1.250 11.298 7.472 1.00 0.00 O ATOM 1622 OE2 GLU A 109 2.399 9.502 6.939 1.00 0.00 O ATOM 0 H GLU A 109 -1.691 6.875 9.063 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.743 9.010 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.687 9.373 8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.001 7.860 8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.261 8.720 5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.651 10.166 6.216 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.312 6.497 5.865 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.228 5.834 4.566 1.00 0.00 C ATOM 1631 C TRP A 110 -2.537 5.155 4.171 1.00 0.00 C ATOM 1632 O TRP A 110 -3.017 5.322 3.050 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.102 4.799 4.582 1.00 0.00 C ATOM 1634 CG TRP A 110 1.210 5.338 4.106 1.00 0.00 C ATOM 1635 CD1 TRP A 110 2.280 5.697 4.876 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.593 5.580 2.749 1.00 0.00 C ATOM 1637 NE1 TRP A 110 3.304 6.146 4.078 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.907 6.083 2.768 1.00 0.00 C ATOM 1639 CE3 TRP A 110 0.953 5.418 1.516 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.589 6.425 1.607 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.633 5.759 0.363 1.00 0.00 C ATOM 1642 CH2 TRP A 110 2.940 6.257 0.415 1.00 0.00 C ATOM 0 H TRP A 110 -0.751 6.060 6.597 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.021 6.606 3.825 1.00 0.00 H new ATOM 0 HB2 TRP A 110 0.017 4.419 5.597 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.387 3.954 3.956 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.316 5.637 5.954 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.212 6.473 4.407 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.055 5.033 1.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.597 6.810 1.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.148 5.639 -0.595 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.446 6.514 -0.504 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.106 4.394 5.093 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.338 3.662 4.828 1.00 0.00 C ATOM 1655 C PHE A 111 -5.541 4.581 4.639 1.00 0.00 C ATOM 1656 O PHE A 111 -6.465 4.246 3.897 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.568 2.633 5.930 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.569 1.519 5.831 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.420 0.830 4.640 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -2.758 1.183 6.899 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.489 -0.175 4.517 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -1.820 0.176 6.779 1.00 0.00 C ATOM 1663 CZ PHE A 111 -1.686 -0.504 5.587 1.00 0.00 C ATOM 0 H PHE A 111 -2.734 4.266 6.034 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.224 3.139 3.879 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.489 3.113 6.905 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.578 2.230 5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -4.043 1.085 3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.859 1.712 7.835 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.388 -0.706 3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.191 -0.079 7.619 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.954 -1.292 5.492 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.541 5.734 5.299 1.00 0.00 N ATOM 1674 CA GLN A 112 -6.642 6.677 5.139 1.00 0.00 C ATOM 1675 C GLN A 112 -6.599 7.273 3.738 1.00 0.00 C ATOM 1676 O GLN A 112 -7.636 7.523 3.127 1.00 0.00 O ATOM 1677 CB GLN A 112 -6.573 7.784 6.190 1.00 0.00 C ATOM 1678 CG GLN A 112 -7.748 8.744 6.155 1.00 0.00 C ATOM 1679 CD GLN A 112 -7.398 10.089 5.545 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -6.418 10.103 4.648 1.00 0.00 O flip ATOM 1681 NE2 GLN A 112 -7.999 11.109 5.883 1.00 0.00 N flip ATOM 0 H GLN A 112 -4.806 6.035 5.939 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.583 6.144 5.278 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.519 7.329 7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -5.652 8.349 6.048 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -8.561 8.294 5.585 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.116 8.896 7.170 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -8.746 11.055 6.576 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -7.750 12.008 5.470 1.00 0.00 H new ATOM 1690 N SER A 113 -5.384 7.499 3.237 1.00 0.00 N ATOM 1691 CA SER A 113 -5.200 8.048 1.898 1.00 0.00 C ATOM 1692 C SER A 113 -5.683 7.055 0.847 1.00 0.00 C ATOM 1693 O SER A 113 -6.447 7.412 -0.045 1.00 0.00 O ATOM 1694 CB SER A 113 -3.729 8.394 1.658 1.00 0.00 C ATOM 1695 OG SER A 113 -3.541 8.965 0.375 1.00 0.00 O ATOM 0 H SER A 113 -4.516 7.310 3.739 1.00 0.00 H new ATOM 0 HA SER A 113 -5.790 8.961 1.817 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.387 9.091 2.423 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.121 7.494 1.751 1.00 0.00 H new ATOM 0 HG SER A 113 -3.025 9.794 0.458 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.232 5.805 0.948 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.654 4.777 0.005 1.00 0.00 C ATOM 1703 C ILE A 114 -7.178 4.716 -0.032 1.00 0.00 C ATOM 1704 O ILE A 114 -7.781 4.478 -1.078 1.00 0.00 O ATOM 1705 CB ILE A 114 -5.088 3.384 0.372 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.555 3.393 0.304 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.660 2.319 -0.556 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.915 2.056 0.636 1.00 0.00 C ATOM 0 H ILE A 114 -4.582 5.485 1.666 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.262 5.045 -0.976 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.384 3.146 1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.248 3.693 -0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.175 4.147 0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.253 1.345 -0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.746 2.298 -0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.391 2.552 -1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.831 2.144 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.190 1.762 1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.264 1.301 -0.068 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.788 4.940 1.129 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.240 4.939 1.256 1.00 0.00 C ATOM 1722 C ARG A 115 -9.831 6.239 0.713 1.00 0.00 C ATOM 1723 O ARG A 115 -10.970 6.271 0.251 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.642 4.756 2.722 1.00 0.00 C ATOM 1725 CG ARG A 115 -9.547 3.319 3.206 1.00 0.00 C ATOM 1726 CD ARG A 115 -10.080 3.173 4.622 1.00 0.00 C ATOM 1727 NE ARG A 115 -10.063 1.785 5.075 1.00 0.00 N ATOM 1728 CZ ARG A 115 -10.720 1.351 6.147 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -11.441 2.195 6.873 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -10.655 0.073 6.493 1.00 0.00 N ATOM 0 H ARG A 115 -7.293 5.126 2.001 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.634 4.108 0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.005 5.383 3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.665 5.108 2.856 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -10.110 2.670 2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.508 2.990 3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.481 3.782 5.299 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.100 3.556 4.666 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.517 1.110 4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -11.492 3.179 6.610 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -11.944 1.860 7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -10.101 -0.578 5.937 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -11.159 -0.259 7.315 1.00 0.00 H new ATOM 1744 N GLU A 116 -9.042 7.308 0.773 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.479 8.617 0.298 1.00 0.00 C ATOM 1746 C GLU A 116 -9.887 8.572 -1.174 1.00 0.00 C ATOM 1747 O GLU A 116 -10.665 9.408 -1.632 1.00 0.00 O ATOM 1748 CB GLU A 116 -8.370 9.654 0.507 1.00 0.00 C ATOM 1749 CG GLU A 116 -8.395 10.307 1.879 1.00 0.00 C ATOM 1750 CD GLU A 116 -7.398 11.442 2.001 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -6.190 11.159 2.149 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -7.824 12.615 1.948 1.00 0.00 O ATOM 0 H GLU A 116 -8.093 7.293 1.147 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.355 8.906 0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.403 9.173 0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.460 10.428 -0.256 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.397 10.685 2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.180 9.556 2.639 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.360 7.597 -1.910 1.00 0.00 N ATOM 1760 CA ILE A 117 -9.681 7.456 -3.325 1.00 0.00 C ATOM 1761 C ILE A 117 -10.840 6.485 -3.546 1.00 0.00 C ATOM 1762 O ILE A 117 -11.714 6.729 -4.379 1.00 0.00 O ATOM 1763 CB ILE A 117 -8.461 6.977 -4.137 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -7.362 8.041 -4.132 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -8.868 6.645 -5.566 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -6.568 8.098 -2.847 1.00 0.00 C ATOM 0 H ILE A 117 -8.712 6.896 -1.551 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.976 8.446 -3.674 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.071 6.073 -3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.680 7.848 -4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.814 9.016 -4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.994 6.309 -6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -9.619 5.855 -5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -9.283 7.534 -6.042 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -5.809 8.877 -2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -7.237 8.322 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.085 7.136 -2.675 1.00 0.00 H new ATOM 1778 N THR A 118 -10.847 5.386 -2.796 1.00 0.00 N ATOM 1779 CA THR A 118 -11.898 4.381 -2.925 1.00 0.00 C ATOM 1780 C THR A 118 -13.019 4.617 -1.918 1.00 0.00 C ATOM 1781 O THR A 118 -14.153 4.912 -2.295 1.00 0.00 O ATOM 1782 CB THR A 118 -11.341 2.957 -2.726 1.00 0.00 C ATOM 1783 OG1 THR A 118 -10.707 2.852 -1.446 1.00 0.00 O ATOM 1784 CG2 THR A 118 -10.344 2.609 -3.820 1.00 0.00 C ATOM 0 H THR A 118 -10.139 5.169 -2.095 1.00 0.00 H new ATOM 0 HA THR A 118 -12.297 4.474 -3.935 1.00 0.00 H new ATOM 0 HB THR A 118 -12.174 2.255 -2.777 1.00 0.00 H new ATOM 0 HG1 THR A 118 -11.155 2.161 -0.915 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.964 1.600 -3.659 1.00 0.00 H new ATOM 0 HG22 THR A 118 -10.837 2.661 -4.791 1.00 0.00 H new ATOM 0 HG23 THR A 118 -9.515 3.317 -3.795 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.690 4.480 -0.639 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.658 4.675 0.433 1.00 0.00 C ATOM 1794 C TRP A 119 -14.319 6.047 0.335 1.00 0.00 C ATOM 1795 O TRP A 119 -15.431 6.248 0.824 1.00 0.00 O ATOM 1796 CB TRP A 119 -12.963 4.514 1.786 1.00 0.00 C ATOM 1797 CG TRP A 119 -13.843 4.811 2.960 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -13.657 5.792 3.890 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -15.043 4.125 3.333 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -14.666 5.757 4.820 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -15.531 4.743 4.501 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -15.754 3.048 2.795 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -16.695 4.321 5.137 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -16.909 2.630 3.427 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -17.370 3.265 4.587 1.00 0.00 C ATOM 0 H TRP A 119 -11.754 4.233 -0.318 1.00 0.00 H new ATOM 0 HA TRP A 119 -14.440 3.922 0.336 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.591 3.493 1.873 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -12.096 5.174 1.819 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -12.836 6.494 3.894 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -14.757 6.384 5.619 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -15.406 2.552 1.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -17.052 4.809 6.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -17.466 1.799 3.020 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -18.277 2.914 5.057 1.00 0.00 H new