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 -71:sc= 1.3 USER MOD Set 1.2: A 31 HIS : no HE2:sc= -2.53 K(o=-1.2,f=-5.1!) USER MOD Set 2.1: A 15 GLN : amide:sc= -0.291 X(o=-0.61,f=-0.13) USER MOD Set 2.2: A 32 TYR OH : rot 130:sc= -0.322 USER MOD Single : A 14 GLN : amide:sc= -3.05! C(o=-3!,f=-8.6!) USER MOD Single : A 19 TYR OH : rot 150:sc= 0.0357 USER MOD Single : A 20 MET CE :methyl -112:sc= -0.583 (180deg=-4.41!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.463 K(o=-0.46,f=-1.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 51:sc= -1.91 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.266 USER MOD Single : A 43 SER OG : rot 160:sc= -0.746 USER MOD Single : A 67 ASN : amide:sc= -0.518 K(o=-0.52,f=-1.1) USER MOD Single : A 68 THR OG1 : rot 53:sc= 0.678 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.4 K(o=-1.4,f=-4.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0125 K(o=-0.012,f=-0.96) USER MOD Single : A 78 LYS NZ :NH3+ 157:sc= -0.447 (180deg=-1.41) USER MOD Single : A 79 ASN : amide:sc= -0.0276 K(o=-0.028,f=-0.63) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.044 X(o=-0.044,f=0.11) USER MOD Single : A 92 GLN : amide:sc= -0.51 X(o=-0.51,f=-0.047) USER MOD Single : A 101 THR OG1 : rot 118:sc= 0.269 USER MOD Single : A 112 GLN : amide:sc= -4.74! K(o=-4.7!,f=-3) USER MOD Single : A 113 SER OG : rot 81:sc= 1.14 USER MOD Single : A 118 THR OG1 : rot -67:sc= -0.0744 USER MOD ----------------------------------------------------------------- ATOM 112 N GLN A 14 0.375 12.075 -0.971 1.00 0.00 N ATOM 113 CA GLN A 14 1.048 11.199 -0.020 1.00 0.00 C ATOM 114 C GLN A 14 2.232 10.489 -0.667 1.00 0.00 C ATOM 115 O GLN A 14 2.175 10.097 -1.832 1.00 0.00 O ATOM 116 CB GLN A 14 0.069 10.166 0.540 1.00 0.00 C ATOM 117 CG GLN A 14 -0.379 10.454 1.965 1.00 0.00 C ATOM 118 CD GLN A 14 0.740 10.286 2.977 1.00 0.00 C ATOM 119 OE1 GLN A 14 1.912 10.510 2.672 1.00 0.00 O ATOM 120 NE2 GLN A 14 0.384 9.886 4.191 1.00 0.00 N ATOM 0 HA GLN A 14 1.421 11.819 0.795 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.808 10.124 -0.105 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.536 9.182 0.508 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.764 11.472 2.021 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.201 9.787 2.225 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.598 9.711 4.403 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.093 9.753 4.912 1.00 0.00 H new ATOM 129 N GLN A 15 3.306 10.327 0.102 1.00 0.00 N ATOM 130 CA GLN A 15 4.507 9.660 -0.387 1.00 0.00 C ATOM 131 C GLN A 15 5.447 9.328 0.765 1.00 0.00 C ATOM 132 O GLN A 15 5.656 10.139 1.668 1.00 0.00 O ATOM 133 CB GLN A 15 5.227 10.536 -1.413 1.00 0.00 C ATOM 134 CG GLN A 15 6.524 9.937 -1.930 1.00 0.00 C ATOM 135 CD GLN A 15 7.182 10.801 -2.989 1.00 0.00 C ATOM 136 OE1 GLN A 15 7.057 12.026 -2.971 1.00 0.00 O ATOM 137 NE2 GLN A 15 7.884 10.166 -3.919 1.00 0.00 N ATOM 0 H GLN A 15 3.368 10.650 1.068 1.00 0.00 H new ATOM 0 HA GLN A 15 4.204 8.730 -0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.559 10.715 -2.256 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.440 11.506 -0.963 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.214 9.800 -1.098 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.324 8.949 -2.345 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.961 9.149 -3.895 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.347 10.695 -4.658 1.00 0.00 H new ATOM 146 N GLY A 16 6.009 8.128 0.724 1.00 0.00 N ATOM 147 CA GLY A 16 6.920 7.693 1.767 1.00 0.00 C ATOM 148 C GLY A 16 7.269 6.223 1.652 1.00 0.00 C ATOM 149 O GLY A 16 7.402 5.695 0.548 1.00 0.00 O ATOM 0 H GLY A 16 5.850 7.444 -0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.834 8.286 1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.469 7.882 2.741 1.00 0.00 H new ATOM 153 N GLU A 17 7.420 5.559 2.794 1.00 0.00 N ATOM 154 CA GLU A 17 7.756 4.140 2.816 1.00 0.00 C ATOM 155 C GLU A 17 6.614 3.321 3.411 1.00 0.00 C ATOM 156 O GLU A 17 5.935 3.765 4.337 1.00 0.00 O ATOM 157 CB GLU A 17 9.038 3.903 3.620 1.00 0.00 C ATOM 158 CG GLU A 17 10.265 4.591 3.041 1.00 0.00 C ATOM 159 CD GLU A 17 10.234 6.096 3.218 1.00 0.00 C ATOM 160 OE1 GLU A 17 10.415 6.563 4.362 1.00 0.00 O ATOM 161 OE2 GLU A 17 10.026 6.809 2.214 1.00 0.00 O ATOM 0 H GLU A 17 7.315 5.981 3.716 1.00 0.00 H new ATOM 0 HA GLU A 17 7.918 3.818 1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.885 4.253 4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.227 2.831 3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.159 4.192 3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.340 4.356 1.979 1.00 0.00 H new ATOM 168 N LEU A 18 6.407 2.123 2.873 1.00 0.00 N ATOM 169 CA LEU A 18 5.349 1.240 3.351 1.00 0.00 C ATOM 170 C LEU A 18 5.783 -0.221 3.286 1.00 0.00 C ATOM 171 O LEU A 18 6.852 -0.538 2.761 1.00 0.00 O ATOM 172 CB LEU A 18 4.073 1.440 2.529 1.00 0.00 C ATOM 173 CG LEU A 18 2.913 2.106 3.275 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.713 2.263 2.354 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.536 1.301 4.510 1.00 0.00 C ATOM 0 H LEU A 18 6.959 1.741 2.105 1.00 0.00 H new ATOM 0 HA LEU A 18 5.147 1.494 4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.315 2.043 1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.739 0.469 2.164 1.00 0.00 H new ATOM 0 HG LEU A 18 3.234 3.096 3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.896 2.738 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.988 2.882 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.393 1.282 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.710 1.791 5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.233 0.297 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.394 1.237 5.179 1.00 0.00 H new ATOM 187 N TYR A 19 4.945 -1.105 3.820 1.00 0.00 N ATOM 188 CA TYR A 19 5.239 -2.532 3.824 1.00 0.00 C ATOM 189 C TYR A 19 4.092 -3.328 3.211 1.00 0.00 C ATOM 190 O TYR A 19 2.920 -3.046 3.462 1.00 0.00 O ATOM 191 CB TYR A 19 5.508 -3.017 5.251 1.00 0.00 C ATOM 192 CG TYR A 19 6.766 -2.441 5.859 1.00 0.00 C ATOM 193 CD1 TYR A 19 6.791 -1.143 6.354 1.00 0.00 C ATOM 194 CD2 TYR A 19 7.929 -3.198 5.940 1.00 0.00 C ATOM 195 CE1 TYR A 19 7.940 -0.615 6.911 1.00 0.00 C ATOM 196 CE2 TYR A 19 9.082 -2.676 6.496 1.00 0.00 C ATOM 197 CZ TYR A 19 9.082 -1.384 6.981 1.00 0.00 C ATOM 198 OH TYR A 19 10.227 -0.862 7.536 1.00 0.00 O ATOM 0 H TYR A 19 4.057 -0.857 4.255 1.00 0.00 H new ATOM 0 HA TYR A 19 6.131 -2.693 3.219 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.658 -2.756 5.881 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.581 -4.105 5.248 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.898 -0.537 6.303 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.932 -4.210 5.563 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.943 0.396 7.290 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.978 -3.276 6.551 1.00 0.00 H new ATOM 0 HH TYR A 19 10.750 -1.583 7.945 1.00 0.00 H new ATOM 208 N MET A 20 4.442 -4.323 2.406 1.00 0.00 N ATOM 209 CA MET A 20 3.454 -5.171 1.751 1.00 0.00 C ATOM 210 C MET A 20 3.848 -6.640 1.862 1.00 0.00 C ATOM 211 O MET A 20 5.032 -6.974 1.877 1.00 0.00 O ATOM 212 CB MET A 20 3.310 -4.776 0.280 1.00 0.00 C ATOM 213 CG MET A 20 2.629 -3.433 0.072 1.00 0.00 C ATOM 214 SD MET A 20 2.900 -2.767 -1.581 1.00 0.00 S ATOM 215 CE MET A 20 2.167 -4.055 -2.587 1.00 0.00 C ATOM 0 H MET A 20 5.409 -4.564 2.190 1.00 0.00 H new ATOM 0 HA MET A 20 2.496 -5.031 2.251 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.299 -4.747 -0.178 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.741 -5.547 -0.240 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.558 -3.542 0.245 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.000 -2.723 0.811 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.948 -4.565 -3.151 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.656 -4.772 -1.944 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.450 -3.613 -3.279 1.00 0.00 H new ATOM 225 N TRP A 21 2.849 -7.513 1.942 1.00 0.00 N ATOM 226 CA TRP A 21 3.095 -8.946 2.059 1.00 0.00 C ATOM 227 C TRP A 21 3.771 -9.496 0.808 1.00 0.00 C ATOM 228 O TRP A 21 3.320 -9.255 -0.312 1.00 0.00 O ATOM 229 CB TRP A 21 1.785 -9.693 2.318 1.00 0.00 C ATOM 230 CG TRP A 21 1.929 -11.185 2.276 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.252 -12.051 1.466 1.00 0.00 C ATOM 232 CD2 TRP A 21 2.808 -11.987 3.076 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.654 -13.341 1.714 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.607 -13.328 2.697 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.745 -11.703 4.074 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.306 -14.379 3.282 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.438 -12.751 4.652 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.215 -14.073 4.254 1.00 0.00 C ATOM 0 H TRP A 21 1.863 -7.254 1.928 1.00 0.00 H new ATOM 0 HA TRP A 21 3.766 -9.100 2.904 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.396 -9.401 3.293 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.048 -9.386 1.576 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.509 -11.764 0.737 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.300 -14.173 1.242 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.924 -10.685 4.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.136 -15.401 2.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.164 -12.545 5.424 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.773 -14.868 4.725 1.00 0.00 H new ATOM 249 N ASP A 22 4.855 -10.236 1.012 1.00 0.00 N ATOM 250 CA ASP A 22 5.598 -10.835 -0.091 1.00 0.00 C ATOM 251 C ASP A 22 5.575 -12.355 0.015 1.00 0.00 C ATOM 252 O ASP A 22 6.279 -12.936 0.840 1.00 0.00 O ATOM 253 CB ASP A 22 7.044 -10.333 -0.092 1.00 0.00 C ATOM 254 CG ASP A 22 7.141 -8.850 -0.385 1.00 0.00 C ATOM 255 OD1 ASP A 22 7.224 -8.484 -1.577 1.00 0.00 O ATOM 256 OD2 ASP A 22 7.136 -8.053 0.577 1.00 0.00 O ATOM 0 H ASP A 22 5.240 -10.436 1.935 1.00 0.00 H new ATOM 0 HA ASP A 22 5.122 -10.542 -1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.498 -10.539 0.877 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.617 -10.886 -0.836 1.00 0.00 H new ATOM 261 N SER A 23 4.760 -12.994 -0.819 1.00 0.00 N ATOM 262 CA SER A 23 4.644 -14.448 -0.811 1.00 0.00 C ATOM 263 C SER A 23 5.866 -15.102 -1.449 1.00 0.00 C ATOM 264 O SER A 23 6.003 -16.326 -1.436 1.00 0.00 O ATOM 265 CB SER A 23 3.375 -14.889 -1.543 1.00 0.00 C ATOM 266 OG SER A 23 3.312 -14.327 -2.842 1.00 0.00 O ATOM 0 H SER A 23 4.170 -12.528 -1.509 1.00 0.00 H new ATOM 0 HA SER A 23 4.585 -14.771 0.229 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.351 -15.977 -1.613 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.498 -14.587 -0.970 1.00 0.00 H new ATOM 0 HG SER A 23 2.492 -14.626 -3.288 1.00 0.00 H new ATOM 272 N ILE A 24 6.751 -14.282 -2.006 1.00 0.00 N ATOM 273 CA ILE A 24 7.962 -14.789 -2.641 1.00 0.00 C ATOM 274 C ILE A 24 8.932 -15.310 -1.588 1.00 0.00 C ATOM 275 O ILE A 24 9.453 -16.420 -1.698 1.00 0.00 O ATOM 276 CB ILE A 24 8.660 -13.700 -3.481 1.00 0.00 C ATOM 277 CG1 ILE A 24 7.691 -13.118 -4.516 1.00 0.00 C ATOM 278 CG2 ILE A 24 9.900 -14.264 -4.161 1.00 0.00 C ATOM 279 CD1 ILE A 24 7.166 -14.138 -5.505 1.00 0.00 C ATOM 0 H ILE A 24 6.653 -13.267 -2.031 1.00 0.00 H new ATOM 0 HA ILE A 24 7.667 -15.601 -3.305 1.00 0.00 H new ATOM 0 HB ILE A 24 8.972 -12.896 -2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.848 -12.664 -3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.195 -12.321 -5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.380 -13.482 -4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.596 -14.628 -3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.613 -15.087 -4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.487 -13.650 -6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.000 -14.575 -6.054 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.633 -14.923 -4.969 1.00 0.00 H new ATOM 291 N ASP A 25 9.166 -14.495 -0.566 1.00 0.00 N ATOM 292 CA ASP A 25 10.057 -14.862 0.525 1.00 0.00 C ATOM 293 C ASP A 25 9.271 -14.993 1.820 1.00 0.00 C ATOM 294 O ASP A 25 9.837 -15.270 2.879 1.00 0.00 O ATOM 295 CB ASP A 25 11.159 -13.812 0.693 1.00 0.00 C ATOM 296 CG ASP A 25 12.113 -13.778 -0.485 1.00 0.00 C ATOM 297 OD1 ASP A 25 11.842 -13.030 -1.447 1.00 0.00 O ATOM 298 OD2 ASP A 25 13.132 -14.500 -0.444 1.00 0.00 O ATOM 0 H ASP A 25 8.747 -13.570 -0.471 1.00 0.00 H new ATOM 0 HA ASP A 25 10.518 -15.821 0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.704 -12.829 0.817 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.719 -14.021 1.604 1.00 0.00 H new ATOM 303 N GLN A 26 7.958 -14.798 1.723 1.00 0.00 N ATOM 304 CA GLN A 26 7.082 -14.874 2.883 1.00 0.00 C ATOM 305 C GLN A 26 7.624 -13.999 4.003 1.00 0.00 C ATOM 306 O GLN A 26 8.072 -14.492 5.038 1.00 0.00 O ATOM 307 CB GLN A 26 6.922 -16.320 3.345 1.00 0.00 C ATOM 308 CG GLN A 26 6.005 -17.126 2.441 1.00 0.00 C ATOM 309 CD GLN A 26 4.721 -17.544 3.130 1.00 0.00 C ATOM 310 OE1 GLN A 26 4.693 -17.763 4.341 1.00 0.00 O ATOM 311 NE2 GLN A 26 3.646 -17.654 2.356 1.00 0.00 N ATOM 0 H GLN A 26 7.479 -14.586 0.848 1.00 0.00 H new ATOM 0 HA GLN A 26 6.096 -14.504 2.603 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.902 -16.797 3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.526 -16.331 4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.762 -16.535 1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.533 -18.015 2.095 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.715 -17.463 1.357 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.752 -17.930 2.762 1.00 0.00 H new ATOM 320 N LYS A 27 7.580 -12.692 3.773 1.00 0.00 N ATOM 321 CA LYS A 27 8.083 -11.725 4.740 1.00 0.00 C ATOM 322 C LYS A 27 7.621 -10.313 4.392 1.00 0.00 C ATOM 323 O LYS A 27 6.934 -10.102 3.393 1.00 0.00 O ATOM 324 CB LYS A 27 9.611 -11.779 4.771 1.00 0.00 C ATOM 325 CG LYS A 27 10.244 -11.689 3.392 1.00 0.00 C ATOM 326 CD LYS A 27 11.761 -11.759 3.465 1.00 0.00 C ATOM 327 CE LYS A 27 12.354 -10.464 3.989 1.00 0.00 C ATOM 328 NZ LYS A 27 13.838 -10.534 4.096 1.00 0.00 N ATOM 0 H LYS A 27 7.200 -12.277 2.922 1.00 0.00 H new ATOM 0 HA LYS A 27 7.687 -11.980 5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.984 -10.962 5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.925 -12.708 5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.872 -12.501 2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.945 -10.756 2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.057 -12.584 4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.164 -11.970 2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.076 -9.644 3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.930 -10.241 4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.203 -9.630 4.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.103 -11.300 4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.245 -10.721 3.158 1.00 0.00 H new ATOM 342 N TRP A 28 8.005 -9.351 5.226 1.00 0.00 N ATOM 343 CA TRP A 28 7.641 -7.956 5.007 1.00 0.00 C ATOM 344 C TRP A 28 8.844 -7.153 4.518 1.00 0.00 C ATOM 345 O TRP A 28 9.813 -6.962 5.253 1.00 0.00 O ATOM 346 CB TRP A 28 7.092 -7.338 6.296 1.00 0.00 C ATOM 347 CG TRP A 28 5.728 -7.836 6.664 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.426 -8.835 7.545 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.477 -7.354 6.159 1.00 0.00 C ATOM 350 NE1 TRP A 28 4.064 -9.002 7.621 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.460 -8.107 6.777 1.00 0.00 C ATOM 352 CE3 TRP A 28 4.117 -6.359 5.245 1.00 0.00 C ATOM 353 CZ2 TRP A 28 2.111 -7.895 6.510 1.00 0.00 C ATOM 354 CZ3 TRP A 28 2.777 -6.152 4.982 1.00 0.00 C ATOM 355 CH2 TRP A 28 1.789 -6.916 5.612 1.00 0.00 C ATOM 0 H TRP A 28 8.569 -9.513 6.060 1.00 0.00 H new ATOM 0 HA TRP A 28 6.866 -7.925 4.241 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.781 -7.551 7.114 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.056 -6.254 6.183 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.152 -9.410 8.101 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.581 -9.681 8.209 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.872 -5.764 4.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.346 -8.483 6.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.487 -5.387 4.277 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.750 -6.728 5.384 1.00 0.00 H new ATOM 366 N THR A 29 8.775 -6.688 3.274 1.00 0.00 N ATOM 367 CA THR A 29 9.860 -5.907 2.689 1.00 0.00 C ATOM 368 C THR A 29 9.551 -4.415 2.732 1.00 0.00 C ATOM 369 O THR A 29 8.404 -4.013 2.928 1.00 0.00 O ATOM 370 CB THR A 29 10.125 -6.317 1.228 1.00 0.00 C ATOM 371 OG1 THR A 29 8.958 -6.076 0.433 1.00 0.00 O ATOM 372 CG2 THR A 29 10.511 -7.785 1.135 1.00 0.00 C ATOM 0 H THR A 29 7.980 -6.838 2.652 1.00 0.00 H new ATOM 0 HA THR A 29 10.749 -6.111 3.286 1.00 0.00 H new ATOM 0 HB THR A 29 10.954 -5.717 0.852 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.261 -6.723 0.670 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.692 -8.048 0.093 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.416 -7.961 1.717 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.702 -8.400 1.529 1.00 0.00 H new ATOM 380 N ARG A 30 10.584 -3.598 2.547 1.00 0.00 N ATOM 381 CA ARG A 30 10.425 -2.147 2.560 1.00 0.00 C ATOM 382 C ARG A 30 10.491 -1.587 1.143 1.00 0.00 C ATOM 383 O ARG A 30 11.484 -1.771 0.439 1.00 0.00 O ATOM 384 CB ARG A 30 11.508 -1.502 3.428 1.00 0.00 C ATOM 385 CG ARG A 30 11.354 0.004 3.575 1.00 0.00 C ATOM 386 CD ARG A 30 12.466 0.597 4.423 1.00 0.00 C ATOM 387 NE ARG A 30 12.493 0.028 5.768 1.00 0.00 N ATOM 388 CZ ARG A 30 13.248 0.501 6.755 1.00 0.00 C ATOM 389 NH1 ARG A 30 14.036 1.548 6.551 1.00 0.00 N ATOM 390 NH2 ARG A 30 13.215 -0.074 7.950 1.00 0.00 N ATOM 0 H ARG A 30 11.540 -3.916 2.386 1.00 0.00 H new ATOM 0 HA ARG A 30 9.447 -1.913 2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.489 -1.959 4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.485 -1.718 2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.359 0.469 2.589 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.389 0.230 4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.425 0.422 3.936 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.335 1.677 4.489 1.00 0.00 H new ATOM 0 HE ARG A 30 11.899 -0.778 5.961 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.065 1.994 5.634 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.613 1.907 7.311 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.610 -0.879 8.112 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.794 0.289 8.707 1.00 0.00 H new ATOM 404 N HIS A 31 9.430 -0.900 0.731 1.00 0.00 N ATOM 405 CA HIS A 31 9.370 -0.315 -0.605 1.00 0.00 C ATOM 406 C HIS A 31 8.951 1.149 -0.549 1.00 0.00 C ATOM 407 O HIS A 31 8.022 1.513 0.172 1.00 0.00 O ATOM 408 CB HIS A 31 8.397 -1.099 -1.490 1.00 0.00 C ATOM 409 CG HIS A 31 7.436 -1.947 -0.719 1.00 0.00 C ATOM 410 ND1 HIS A 31 7.674 -3.272 -0.425 1.00 0.00 N ATOM 411 CD2 HIS A 31 6.230 -1.653 -0.178 1.00 0.00 C ATOM 412 CE1 HIS A 31 6.657 -3.758 0.263 1.00 0.00 C ATOM 413 NE2 HIS A 31 5.768 -2.796 0.428 1.00 0.00 N ATOM 0 H HIS A 31 8.601 -0.735 1.302 1.00 0.00 H new ATOM 0 HA HIS A 31 10.370 -0.370 -1.035 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.835 -0.398 -2.108 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.967 -1.735 -2.167 1.00 0.00 H new ATOM 0 HD1 HIS A 31 8.506 -3.796 -0.696 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.726 -0.699 -0.216 1.00 0.00 H new ATOM 0 HE1 HIS A 31 6.568 -4.770 0.629 1.00 0.00 H new ATOM 422 N TYR A 32 9.644 1.984 -1.317 1.00 0.00 N ATOM 423 CA TYR A 32 9.342 3.409 -1.366 1.00 0.00 C ATOM 424 C TYR A 32 8.060 3.648 -2.155 1.00 0.00 C ATOM 425 O TYR A 32 8.077 3.708 -3.385 1.00 0.00 O ATOM 426 CB TYR A 32 10.505 4.176 -2.000 1.00 0.00 C ATOM 427 CG TYR A 32 10.326 5.676 -1.990 1.00 0.00 C ATOM 428 CD1 TYR A 32 10.569 6.415 -0.839 1.00 0.00 C ATOM 429 CD2 TYR A 32 9.917 6.355 -3.131 1.00 0.00 C ATOM 430 CE1 TYR A 32 10.410 7.787 -0.825 1.00 0.00 C ATOM 431 CE2 TYR A 32 9.756 7.727 -3.125 1.00 0.00 C ATOM 432 CZ TYR A 32 10.003 8.438 -1.971 1.00 0.00 C ATOM 433 OH TYR A 32 9.844 9.805 -1.961 1.00 0.00 O ATOM 0 H TYR A 32 10.419 1.697 -1.914 1.00 0.00 H new ATOM 0 HA TYR A 32 9.199 3.771 -0.348 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.424 3.926 -1.470 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.630 3.842 -3.030 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.888 5.908 0.060 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.722 5.801 -4.037 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.603 8.347 0.078 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.438 8.240 -4.021 1.00 0.00 H new ATOM 0 HH TYR A 32 10.320 10.195 -2.724 1.00 0.00 H new ATOM 443 N CYS A 33 6.948 3.778 -1.437 1.00 0.00 N ATOM 444 CA CYS A 33 5.653 3.997 -2.067 1.00 0.00 C ATOM 445 C CYS A 33 5.409 5.477 -2.340 1.00 0.00 C ATOM 446 O CYS A 33 6.040 6.345 -1.736 1.00 0.00 O ATOM 447 CB CYS A 33 4.537 3.440 -1.182 1.00 0.00 C ATOM 448 SG CYS A 33 4.630 1.656 -0.912 1.00 0.00 S ATOM 0 H CYS A 33 6.919 3.735 -0.418 1.00 0.00 H new ATOM 0 HA CYS A 33 5.654 3.473 -3.023 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.568 3.945 -0.216 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.575 3.678 -1.636 1.00 0.00 H new ATOM 0 HG CYS A 33 5.828 1.339 -0.518 1.00 0.00 H new ATOM 454 N ALA A 34 4.486 5.753 -3.258 1.00 0.00 N ATOM 455 CA ALA A 34 4.143 7.122 -3.621 1.00 0.00 C ATOM 456 C ALA A 34 2.864 7.155 -4.449 1.00 0.00 C ATOM 457 O ALA A 34 2.763 6.488 -5.479 1.00 0.00 O ATOM 458 CB ALA A 34 5.288 7.771 -4.385 1.00 0.00 C ATOM 0 H ALA A 34 3.961 5.041 -3.766 1.00 0.00 H new ATOM 0 HA ALA A 34 3.972 7.687 -2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.016 8.793 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.181 7.783 -3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.488 7.203 -5.293 1.00 0.00 H new ATOM 464 N ILE A 35 1.887 7.934 -3.995 1.00 0.00 N ATOM 465 CA ILE A 35 0.613 8.045 -4.695 1.00 0.00 C ATOM 466 C ILE A 35 0.652 9.153 -5.741 1.00 0.00 C ATOM 467 O ILE A 35 0.633 10.338 -5.408 1.00 0.00 O ATOM 468 CB ILE A 35 -0.547 8.314 -3.715 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.662 7.169 -2.707 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.855 8.493 -4.475 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.662 7.431 -1.601 1.00 0.00 C ATOM 0 H ILE A 35 1.953 8.497 -3.147 1.00 0.00 H new ATOM 0 HA ILE A 35 0.443 7.090 -5.192 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.339 9.235 -3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.947 6.259 -3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.317 6.987 -2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.663 8.682 -3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.766 9.337 -5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.073 7.588 -5.042 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.689 6.576 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.367 8.322 -1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.651 7.583 -2.033 1.00 0.00 H new ATOM 483 N ALA A 36 0.707 8.754 -7.007 1.00 0.00 N ATOM 484 CA ALA A 36 0.741 9.704 -8.111 1.00 0.00 C ATOM 485 C ALA A 36 -0.624 9.804 -8.783 1.00 0.00 C ATOM 486 O ALA A 36 -1.155 8.809 -9.273 1.00 0.00 O ATOM 487 CB ALA A 36 1.802 9.297 -9.123 1.00 0.00 C ATOM 0 H ALA A 36 0.729 7.775 -7.294 1.00 0.00 H new ATOM 0 HA ALA A 36 0.995 10.686 -7.711 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.817 10.015 -9.943 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.778 9.278 -8.639 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.571 8.306 -9.513 1.00 0.00 H new ATOM 493 N ASP A 37 -1.182 11.012 -8.799 1.00 0.00 N ATOM 494 CA ASP A 37 -2.489 11.254 -9.407 1.00 0.00 C ATOM 495 C ASP A 37 -3.589 10.499 -8.663 1.00 0.00 C ATOM 496 O ASP A 37 -4.257 11.061 -7.794 1.00 0.00 O ATOM 497 CB ASP A 37 -2.480 10.852 -10.885 1.00 0.00 C ATOM 498 CG ASP A 37 -3.811 11.107 -11.562 1.00 0.00 C ATOM 499 OD1 ASP A 37 -4.002 12.221 -12.095 1.00 0.00 O ATOM 500 OD2 ASP A 37 -4.665 10.194 -11.560 1.00 0.00 O ATOM 0 H ASP A 37 -0.748 11.842 -8.396 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.697 12.322 -9.335 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.699 11.407 -11.405 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.229 9.795 -10.969 1.00 0.00 H new ATOM 505 N ALA A 38 -3.773 9.227 -9.006 1.00 0.00 N ATOM 506 CA ALA A 38 -4.794 8.404 -8.366 1.00 0.00 C ATOM 507 C ALA A 38 -4.321 6.965 -8.182 1.00 0.00 C ATOM 508 O ALA A 38 -5.071 6.116 -7.702 1.00 0.00 O ATOM 509 CB ALA A 38 -6.080 8.434 -9.178 1.00 0.00 C ATOM 0 H ALA A 38 -3.230 8.745 -9.722 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.985 8.821 -7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.833 7.816 -8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.442 9.460 -9.248 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.887 8.048 -10.179 1.00 0.00 H new ATOM 515 N LYS A 39 -3.076 6.697 -8.565 1.00 0.00 N ATOM 516 CA LYS A 39 -2.511 5.359 -8.442 1.00 0.00 C ATOM 517 C LYS A 39 -1.343 5.335 -7.462 1.00 0.00 C ATOM 518 O LYS A 39 -0.636 6.328 -7.298 1.00 0.00 O ATOM 519 CB LYS A 39 -2.046 4.855 -9.808 1.00 0.00 C ATOM 520 CG LYS A 39 -3.191 4.558 -10.762 1.00 0.00 C ATOM 521 CD LYS A 39 -2.689 3.978 -12.073 1.00 0.00 C ATOM 522 CE LYS A 39 -3.829 3.749 -13.050 1.00 0.00 C ATOM 523 NZ LYS A 39 -3.352 3.172 -14.337 1.00 0.00 N ATOM 0 H LYS A 39 -2.440 7.389 -8.963 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.293 4.703 -8.058 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.391 5.601 -10.259 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.453 3.951 -9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.883 3.857 -10.294 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.749 5.474 -10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.958 4.655 -12.516 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.176 3.035 -11.883 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.562 3.078 -12.601 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.337 4.694 -13.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.161 3.031 -14.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.672 3.823 -14.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.890 2.258 -14.157 1.00 0.00 H new ATOM 537 N LEU A 40 -1.149 4.190 -6.815 1.00 0.00 N ATOM 538 CA LEU A 40 -0.060 4.022 -5.861 1.00 0.00 C ATOM 539 C LEU A 40 1.018 3.120 -6.451 1.00 0.00 C ATOM 540 O LEU A 40 0.770 1.950 -6.733 1.00 0.00 O ATOM 541 CB LEU A 40 -0.583 3.422 -4.553 1.00 0.00 C ATOM 542 CG LEU A 40 0.501 2.977 -3.569 1.00 0.00 C ATOM 543 CD1 LEU A 40 1.203 4.184 -2.967 1.00 0.00 C ATOM 544 CD2 LEU A 40 -0.091 2.101 -2.476 1.00 0.00 C ATOM 0 H LEU A 40 -1.734 3.363 -6.935 1.00 0.00 H new ATOM 0 HA LEU A 40 0.370 5.001 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.219 4.158 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.212 2.564 -4.790 1.00 0.00 H new ATOM 0 HG LEU A 40 1.238 2.388 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.971 3.848 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.666 4.770 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.477 4.801 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.697 1.796 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.851 2.662 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.544 1.217 -2.924 1.00 0.00 H new ATOM 556 N SER A 41 2.217 3.664 -6.625 1.00 0.00 N ATOM 557 CA SER A 41 3.318 2.897 -7.195 1.00 0.00 C ATOM 558 C SER A 41 4.437 2.692 -6.179 1.00 0.00 C ATOM 559 O SER A 41 4.965 3.653 -5.620 1.00 0.00 O ATOM 560 CB SER A 41 3.867 3.607 -8.433 1.00 0.00 C ATOM 561 OG SER A 41 2.816 4.082 -9.256 1.00 0.00 O ATOM 0 H SER A 41 2.451 4.627 -6.381 1.00 0.00 H new ATOM 0 HA SER A 41 2.932 1.918 -7.478 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.499 4.441 -8.128 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.496 2.921 -9.001 1.00 0.00 H new ATOM 0 HG SER A 41 3.193 4.534 -10.040 1.00 0.00 H new ATOM 567 N PHE A 42 4.794 1.431 -5.945 1.00 0.00 N ATOM 568 CA PHE A 42 5.860 1.102 -5.005 1.00 0.00 C ATOM 569 C PHE A 42 7.089 0.589 -5.748 1.00 0.00 C ATOM 570 O PHE A 42 6.984 -0.277 -6.617 1.00 0.00 O ATOM 571 CB PHE A 42 5.383 0.062 -3.984 1.00 0.00 C ATOM 572 CG PHE A 42 4.878 -1.212 -4.600 1.00 0.00 C ATOM 573 CD1 PHE A 42 3.582 -1.299 -5.080 1.00 0.00 C ATOM 574 CD2 PHE A 42 5.699 -2.325 -4.691 1.00 0.00 C ATOM 575 CE1 PHE A 42 3.114 -2.472 -5.642 1.00 0.00 C ATOM 576 CE2 PHE A 42 5.237 -3.499 -5.251 1.00 0.00 C ATOM 577 CZ PHE A 42 3.942 -3.573 -5.728 1.00 0.00 C ATOM 0 H PHE A 42 4.361 0.623 -6.393 1.00 0.00 H new ATOM 0 HA PHE A 42 6.132 2.011 -4.468 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.206 -0.174 -3.309 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.590 0.500 -3.378 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.930 -0.441 -5.015 1.00 0.00 H new ATOM 0 HD2 PHE A 42 6.712 -2.273 -4.320 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.101 -2.527 -6.013 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.887 -4.359 -5.316 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.579 -4.490 -6.167 1.00 0.00 H new ATOM 587 N SER A 43 8.252 1.130 -5.402 1.00 0.00 N ATOM 588 CA SER A 43 9.501 0.731 -6.043 1.00 0.00 C ATOM 589 C SER A 43 10.127 -0.466 -5.336 1.00 0.00 C ATOM 590 O SER A 43 9.671 -0.881 -4.270 1.00 0.00 O ATOM 591 CB SER A 43 10.486 1.901 -6.060 1.00 0.00 C ATOM 592 OG SER A 43 10.772 2.345 -4.745 1.00 0.00 O ATOM 0 H SER A 43 8.357 1.845 -4.682 1.00 0.00 H new ATOM 0 HA SER A 43 9.272 0.440 -7.068 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.409 1.596 -6.553 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.070 2.723 -6.642 1.00 0.00 H new ATOM 0 HG SER A 43 11.612 2.850 -4.746 1.00 0.00 H new ATOM 598 N ASP A 44 11.177 -1.016 -5.939 1.00 0.00 N ATOM 599 CA ASP A 44 11.875 -2.166 -5.372 1.00 0.00 C ATOM 600 C ASP A 44 12.508 -1.805 -4.032 1.00 0.00 C ATOM 601 O ASP A 44 12.620 -0.628 -3.687 1.00 0.00 O ATOM 602 CB ASP A 44 12.951 -2.663 -6.342 1.00 0.00 C ATOM 603 CG ASP A 44 13.634 -3.926 -5.854 1.00 0.00 C ATOM 604 OD1 ASP A 44 13.119 -5.027 -6.137 1.00 0.00 O ATOM 605 OD2 ASP A 44 14.686 -3.813 -5.188 1.00 0.00 O ATOM 0 H ASP A 44 11.564 -0.683 -6.822 1.00 0.00 H new ATOM 0 HA ASP A 44 11.148 -2.962 -5.209 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.499 -2.851 -7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 44 13.698 -1.881 -6.483 1.00 0.00 H new ATOM 610 N ASP A 45 12.910 -2.826 -3.278 1.00 0.00 N ATOM 611 CA ASP A 45 13.535 -2.621 -1.974 1.00 0.00 C ATOM 612 C ASP A 45 14.589 -1.520 -2.037 1.00 0.00 C ATOM 613 O ASP A 45 15.359 -1.438 -2.995 1.00 0.00 O ATOM 614 CB ASP A 45 14.173 -3.922 -1.486 1.00 0.00 C ATOM 615 CG ASP A 45 13.176 -5.058 -1.390 1.00 0.00 C ATOM 616 OD1 ASP A 45 12.822 -5.629 -2.443 1.00 0.00 O ATOM 617 OD2 ASP A 45 12.747 -5.376 -0.262 1.00 0.00 O ATOM 0 H ASP A 45 12.814 -3.805 -3.549 1.00 0.00 H new ATOM 0 HA ASP A 45 12.759 -2.314 -1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.977 -4.205 -2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.625 -3.756 -0.508 1.00 0.00 H new ATOM 622 N ILE A 46 14.616 -0.674 -1.012 1.00 0.00 N ATOM 623 CA ILE A 46 15.570 0.427 -0.951 1.00 0.00 C ATOM 624 C ILE A 46 16.754 0.088 -0.052 1.00 0.00 C ATOM 625 O ILE A 46 17.553 0.960 0.292 1.00 0.00 O ATOM 626 CB ILE A 46 14.902 1.716 -0.437 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.278 1.478 0.941 1.00 0.00 C ATOM 628 CG2 ILE A 46 13.852 2.198 -1.427 1.00 0.00 C ATOM 629 CD1 ILE A 46 13.699 2.724 1.573 1.00 0.00 C ATOM 0 H ILE A 46 13.987 -0.730 -0.211 1.00 0.00 H new ATOM 0 HA ILE A 46 15.929 0.589 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 46 15.663 2.490 -0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.491 0.730 0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.036 1.063 1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.388 3.110 -1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.324 2.401 -2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.090 1.429 -1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.276 2.475 2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 46 14.486 3.467 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.917 3.129 0.930 1.00 0.00 H new ATOM 641 N GLU A 47 16.864 -1.181 0.325 1.00 0.00 N ATOM 642 CA GLU A 47 17.952 -1.631 1.187 1.00 0.00 C ATOM 643 C GLU A 47 18.095 -3.149 1.141 1.00 0.00 C ATOM 644 O GLU A 47 19.206 -3.677 1.141 1.00 0.00 O ATOM 645 CB GLU A 47 17.711 -1.171 2.624 1.00 0.00 C ATOM 646 CG GLU A 47 16.349 -1.569 3.168 1.00 0.00 C ATOM 647 CD GLU A 47 16.095 -1.024 4.560 1.00 0.00 C ATOM 648 OE1 GLU A 47 15.606 0.120 4.669 1.00 0.00 O ATOM 649 OE2 GLU A 47 16.383 -1.741 5.541 1.00 0.00 O ATOM 0 H GLU A 47 16.214 -1.916 0.048 1.00 0.00 H new ATOM 0 HA GLU A 47 18.879 -1.189 0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.486 -1.590 3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.809 -0.086 2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.573 -1.208 2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.273 -2.656 3.188 1.00 0.00 H new ATOM 841 N ARG A 61 7.890 -1.235 -9.657 1.00 0.00 N ATOM 842 CA ARG A 61 7.713 -2.680 -9.564 1.00 0.00 C ATOM 843 C ARG A 61 6.237 -3.050 -9.666 1.00 0.00 C ATOM 844 O ARG A 61 5.874 -4.028 -10.321 1.00 0.00 O ATOM 845 CB ARG A 61 8.295 -3.205 -8.249 1.00 0.00 C ATOM 846 CG ARG A 61 9.792 -2.981 -8.110 1.00 0.00 C ATOM 847 CD ARG A 61 10.577 -3.776 -9.143 1.00 0.00 C ATOM 848 NE ARG A 61 10.335 -5.212 -9.027 1.00 0.00 N ATOM 849 CZ ARG A 61 10.848 -6.115 -9.857 1.00 0.00 C ATOM 850 NH1 ARG A 61 11.628 -5.733 -10.859 1.00 0.00 N ATOM 851 NH2 ARG A 61 10.581 -7.403 -9.685 1.00 0.00 N ATOM 0 HA ARG A 61 8.245 -3.142 -10.395 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.785 -2.719 -7.417 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.088 -4.272 -8.171 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.013 -1.920 -8.222 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.112 -3.269 -7.109 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.302 -3.442 -10.143 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.642 -3.577 -9.022 1.00 0.00 H new ATOM 0 HE ARG A 61 9.739 -5.540 -8.267 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.836 -4.744 -10.995 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.020 -6.428 -11.494 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.982 -7.701 -8.915 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.975 -8.095 -10.322 1.00 0.00 H new ATOM 865 N GLY A 62 5.392 -2.260 -9.011 1.00 0.00 N ATOM 866 CA GLY A 62 3.963 -2.511 -9.037 1.00 0.00 C ATOM 867 C GLY A 62 3.158 -1.259 -8.749 1.00 0.00 C ATOM 868 O GLY A 62 3.640 -0.347 -8.076 1.00 0.00 O ATOM 0 H GLY A 62 5.673 -1.448 -8.461 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.682 -2.905 -10.014 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.717 -3.277 -8.302 1.00 0.00 H new ATOM 872 N ILE A 63 1.930 -1.211 -9.257 1.00 0.00 N ATOM 873 CA ILE A 63 1.066 -0.054 -9.053 1.00 0.00 C ATOM 874 C ILE A 63 -0.389 -0.468 -8.853 1.00 0.00 C ATOM 875 O ILE A 63 -0.897 -1.348 -9.549 1.00 0.00 O ATOM 876 CB ILE A 63 1.128 0.917 -10.250 1.00 0.00 C ATOM 877 CG1 ILE A 63 2.580 1.198 -10.645 1.00 0.00 C ATOM 878 CG2 ILE A 63 0.404 2.212 -9.911 1.00 0.00 C ATOM 879 CD1 ILE A 63 2.719 2.129 -11.831 1.00 0.00 C ATOM 0 H ILE A 63 1.512 -1.958 -9.812 1.00 0.00 H new ATOM 0 HA ILE A 63 1.433 0.444 -8.155 1.00 0.00 H new ATOM 0 HB ILE A 63 0.631 0.452 -11.101 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.102 1.631 -9.792 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.074 0.254 -10.876 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.454 2.890 -10.763 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.639 1.996 -9.680 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.878 2.679 -9.047 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.775 2.281 -12.052 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.226 1.689 -12.698 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.255 3.087 -11.597 1.00 0.00 H new ATOM 891 N LEU A 64 -1.054 0.173 -7.895 1.00 0.00 N ATOM 892 CA LEU A 64 -2.457 -0.108 -7.620 1.00 0.00 C ATOM 893 C LEU A 64 -3.339 0.931 -8.304 1.00 0.00 C ATOM 894 O LEU A 64 -3.307 2.109 -7.950 1.00 0.00 O ATOM 895 CB LEU A 64 -2.738 -0.104 -6.112 1.00 0.00 C ATOM 896 CG LEU A 64 -2.193 -1.303 -5.326 1.00 0.00 C ATOM 897 CD1 LEU A 64 -2.722 -2.609 -5.903 1.00 0.00 C ATOM 898 CD2 LEU A 64 -0.672 -1.298 -5.319 1.00 0.00 C ATOM 0 H LEU A 64 -0.642 0.890 -7.297 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.685 -1.100 -8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.317 0.807 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.817 -0.057 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.538 -1.219 -4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.324 -3.447 -5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.811 -2.617 -5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.411 -2.699 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.308 -2.157 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.303 -1.353 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.313 -0.380 -4.853 1.00 0.00 H new ATOM 910 N ASP A 65 -4.113 0.492 -9.291 1.00 0.00 N ATOM 911 CA ASP A 65 -5.002 1.389 -10.020 1.00 0.00 C ATOM 912 C ASP A 65 -5.832 2.232 -9.056 1.00 0.00 C ATOM 913 O ASP A 65 -6.137 3.392 -9.334 1.00 0.00 O ATOM 914 CB ASP A 65 -5.925 0.590 -10.942 1.00 0.00 C ATOM 915 CG ASP A 65 -5.158 -0.222 -11.966 1.00 0.00 C ATOM 916 OD1 ASP A 65 -4.893 0.308 -13.066 1.00 0.00 O ATOM 917 OD2 ASP A 65 -4.821 -1.387 -11.669 1.00 0.00 O ATOM 0 H ASP A 65 -4.143 -0.478 -9.604 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.388 2.057 -10.624 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.543 -0.078 -10.342 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.600 1.274 -11.456 1.00 0.00 H new ATOM 922 N LEU A 66 -6.189 1.637 -7.920 1.00 0.00 N ATOM 923 CA LEU A 66 -6.984 2.320 -6.903 1.00 0.00 C ATOM 924 C LEU A 66 -8.346 2.739 -7.450 1.00 0.00 C ATOM 925 O LEU A 66 -9.118 3.413 -6.767 1.00 0.00 O ATOM 926 CB LEU A 66 -6.231 3.538 -6.363 1.00 0.00 C ATOM 927 CG LEU A 66 -4.986 3.211 -5.533 1.00 0.00 C ATOM 928 CD1 LEU A 66 -4.206 4.477 -5.219 1.00 0.00 C ATOM 929 CD2 LEU A 66 -5.374 2.489 -4.252 1.00 0.00 C ATOM 0 H LEU A 66 -5.938 0.678 -7.680 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.152 1.618 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.935 4.166 -7.203 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.914 4.127 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.346 2.551 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.325 4.225 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.895 4.953 -6.149 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.837 5.163 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.477 2.265 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.035 3.124 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.888 1.560 -4.499 1.00 0.00 H new ATOM 941 N ASN A 67 -8.636 2.340 -8.685 1.00 0.00 N ATOM 942 CA ASN A 67 -9.913 2.658 -9.311 1.00 0.00 C ATOM 943 C ASN A 67 -10.869 1.480 -9.180 1.00 0.00 C ATOM 944 O ASN A 67 -12.085 1.631 -9.309 1.00 0.00 O ATOM 945 CB ASN A 67 -9.718 3.010 -10.788 1.00 0.00 C ATOM 946 CG ASN A 67 -8.957 4.307 -10.980 1.00 0.00 C ATOM 947 OD1 ASN A 67 -7.736 4.309 -11.125 1.00 0.00 O ATOM 948 ND2 ASN A 67 -9.680 5.421 -10.982 1.00 0.00 N ATOM 0 H ASN A 67 -8.003 1.796 -9.271 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.339 3.522 -8.801 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.181 2.201 -11.283 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.692 3.089 -11.271 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.224 6.325 -11.107 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.691 5.373 -10.858 1.00 0.00 H new ATOM 955 N THR A 68 -10.305 0.304 -8.922 1.00 0.00 N ATOM 956 CA THR A 68 -11.093 -0.911 -8.766 1.00 0.00 C ATOM 957 C THR A 68 -10.553 -1.770 -7.625 1.00 0.00 C ATOM 958 O THR A 68 -9.964 -2.826 -7.854 1.00 0.00 O ATOM 959 CB THR A 68 -11.106 -1.745 -10.063 1.00 0.00 C ATOM 960 OG1 THR A 68 -9.772 -2.136 -10.408 1.00 0.00 O ATOM 961 CG2 THR A 68 -11.718 -0.955 -11.209 1.00 0.00 C ATOM 0 H THR A 68 -9.300 0.168 -8.816 1.00 0.00 H new ATOM 0 HA THR A 68 -12.112 -0.601 -8.535 1.00 0.00 H new ATOM 0 HB THR A 68 -11.713 -2.634 -9.890 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.350 -2.573 -9.639 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.716 -1.564 -12.113 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.743 -0.683 -10.957 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.134 -0.050 -11.380 1.00 0.00 H new ATOM 969 N TYR A 69 -10.747 -1.301 -6.396 1.00 0.00 N ATOM 970 CA TYR A 69 -10.284 -2.024 -5.215 1.00 0.00 C ATOM 971 C TYR A 69 -11.155 -1.706 -4.004 1.00 0.00 C ATOM 972 O TYR A 69 -12.004 -0.816 -4.049 1.00 0.00 O ATOM 973 CB TYR A 69 -8.830 -1.673 -4.891 1.00 0.00 C ATOM 974 CG TYR A 69 -7.807 -2.503 -5.633 1.00 0.00 C ATOM 975 CD1 TYR A 69 -7.428 -3.752 -5.159 1.00 0.00 C ATOM 976 CD2 TYR A 69 -7.214 -2.037 -6.800 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.489 -4.515 -5.824 1.00 0.00 C ATOM 978 CE2 TYR A 69 -6.273 -2.795 -7.473 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.914 -4.032 -6.981 1.00 0.00 C ATOM 980 OH TYR A 69 -4.978 -4.788 -7.648 1.00 0.00 O ATOM 0 H TYR A 69 -11.222 -0.422 -6.191 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.355 -3.088 -5.440 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.663 -0.621 -5.122 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.670 -1.794 -3.820 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.876 -4.134 -4.253 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.492 -1.068 -7.187 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.206 -5.484 -5.441 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.822 -2.420 -8.380 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.673 -4.304 -8.444 1.00 0.00 H new ATOM 990 N ASN A 70 -10.931 -2.444 -2.922 1.00 0.00 N ATOM 991 CA ASN A 70 -11.674 -2.248 -1.683 1.00 0.00 C ATOM 992 C ASN A 70 -10.738 -2.355 -0.483 1.00 0.00 C ATOM 993 O ASN A 70 -9.965 -3.304 -0.372 1.00 0.00 O ATOM 994 CB ASN A 70 -12.797 -3.282 -1.569 1.00 0.00 C ATOM 995 CG ASN A 70 -13.870 -3.088 -2.622 1.00 0.00 C ATOM 996 OD1 ASN A 70 -14.207 -1.960 -2.980 1.00 0.00 O ATOM 997 ND2 ASN A 70 -14.407 -4.191 -3.130 1.00 0.00 N ATOM 0 H ASN A 70 -10.235 -3.189 -2.879 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.115 -1.251 -1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.376 -4.283 -1.663 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.248 -3.217 -0.579 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.129 -4.123 -3.847 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.097 -5.106 -2.803 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.815 -1.382 0.417 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.962 -1.373 1.599 1.00 0.00 C ATOM 1006 C VAL A 71 -10.681 -1.978 2.801 1.00 0.00 C ATOM 1007 O VAL A 71 -11.811 -1.605 3.115 1.00 0.00 O ATOM 1008 CB VAL A 71 -9.502 0.057 1.950 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.620 0.049 3.189 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.771 0.690 0.775 1.00 0.00 C ATOM 0 H VAL A 71 -11.457 -0.592 0.351 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.087 -1.978 1.363 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.387 0.656 2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.307 1.067 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.180 -0.358 4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.741 -0.569 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.455 1.698 1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.896 0.090 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.438 0.736 -0.086 1.00 0.00 H new ATOM 1020 N VAL A 72 -10.012 -2.914 3.468 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.576 -3.580 4.636 1.00 0.00 C ATOM 1022 C VAL A 72 -9.545 -3.688 5.753 1.00 0.00 C ATOM 1023 O VAL A 72 -8.483 -4.285 5.576 1.00 0.00 O ATOM 1024 CB VAL A 72 -11.092 -4.990 4.288 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.501 -4.920 3.718 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -10.149 -5.684 3.317 1.00 0.00 C ATOM 0 H VAL A 72 -9.075 -3.229 3.218 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.415 -2.971 4.974 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.125 -5.578 5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.847 -5.926 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.169 -4.472 4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.498 -4.313 2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.532 -6.678 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.077 -5.100 2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.161 -5.773 3.770 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.865 -3.108 6.906 1.00 0.00 N ATOM 1037 CA LYS A 73 -8.961 -3.134 8.050 1.00 0.00 C ATOM 1038 C LYS A 73 -8.903 -4.525 8.673 1.00 0.00 C ATOM 1039 O LYS A 73 -9.831 -4.947 9.364 1.00 0.00 O ATOM 1040 CB LYS A 73 -9.404 -2.112 9.099 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.481 -2.038 10.306 1.00 0.00 C ATOM 1042 CD LYS A 73 -8.986 -1.040 11.337 1.00 0.00 C ATOM 1043 CE LYS A 73 -10.305 -1.484 11.951 1.00 0.00 C ATOM 1044 NZ LYS A 73 -10.808 -0.505 12.955 1.00 0.00 N ATOM 0 H LYS A 73 -10.742 -2.615 7.072 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.963 -2.875 7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.460 -1.128 8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.410 -2.363 9.436 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.399 -3.024 10.763 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.480 -1.753 9.982 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.241 -0.920 12.123 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.113 -0.065 10.867 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.048 -1.610 11.163 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.175 -2.457 12.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.708 -0.844 13.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.111 -0.403 13.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.956 0.417 12.497 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.808 -5.234 8.421 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.619 -6.574 8.966 1.00 0.00 C ATOM 1060 C ALA A 74 -7.048 -6.507 10.385 1.00 0.00 C ATOM 1061 O ALA A 74 -5.970 -5.947 10.597 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.701 -7.384 8.064 1.00 0.00 C ATOM 0 H ALA A 74 -7.037 -4.903 7.842 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.590 -7.067 9.012 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.568 -8.382 8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.143 -7.462 7.071 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.733 -6.889 7.992 1.00 0.00 H new ATOM 1068 N PRO A 75 -7.762 -7.079 11.377 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.326 -7.077 12.774 1.00 0.00 C ATOM 1070 C PRO A 75 -6.271 -8.140 13.060 1.00 0.00 C ATOM 1071 O PRO A 75 -6.212 -9.168 12.384 1.00 0.00 O ATOM 1072 CB PRO A 75 -8.612 -7.383 13.562 1.00 0.00 C ATOM 1073 CG PRO A 75 -9.710 -7.478 12.549 1.00 0.00 C ATOM 1074 CD PRO A 75 -9.051 -7.759 11.231 1.00 0.00 C ATOM 0 HA PRO A 75 -6.860 -6.129 13.043 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.515 -8.315 14.119 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -8.820 -6.597 14.289 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.410 -8.272 12.809 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.281 -6.550 12.507 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.930 -8.828 11.056 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.628 -7.363 10.395 1.00 0.00 H new ATOM 1082 N GLN A 76 -5.442 -7.884 14.070 1.00 0.00 N ATOM 1083 CA GLN A 76 -4.386 -8.814 14.460 1.00 0.00 C ATOM 1084 C GLN A 76 -3.497 -9.161 13.269 1.00 0.00 C ATOM 1085 O GLN A 76 -2.835 -10.199 13.252 1.00 0.00 O ATOM 1086 CB GLN A 76 -4.997 -10.087 15.053 1.00 0.00 C ATOM 1087 CG GLN A 76 -3.993 -10.960 15.787 1.00 0.00 C ATOM 1088 CD GLN A 76 -4.649 -12.094 16.549 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -5.784 -11.973 17.010 1.00 0.00 O ATOM 1090 NE2 GLN A 76 -3.935 -13.206 16.685 1.00 0.00 N ATOM 0 H GLN A 76 -5.482 -7.036 14.635 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.768 -8.331 15.217 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.796 -9.810 15.741 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.453 -10.668 14.252 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.284 -11.373 15.069 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.422 -10.344 16.481 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.998 -13.262 16.286 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.324 -14.004 17.188 1.00 0.00 H new ATOM 1099 N GLY A 77 -3.481 -8.279 12.278 1.00 0.00 N ATOM 1100 CA GLY A 77 -2.674 -8.507 11.094 1.00 0.00 C ATOM 1101 C GLY A 77 -3.079 -9.766 10.356 1.00 0.00 C ATOM 1102 O GLY A 77 -4.265 -10.082 10.261 1.00 0.00 O ATOM 0 H GLY A 77 -4.013 -7.409 12.273 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.765 -7.651 10.425 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.625 -8.578 11.380 1.00 0.00 H new ATOM 1106 N LYS A 78 -2.094 -10.488 9.831 1.00 0.00 N ATOM 1107 CA LYS A 78 -2.358 -11.720 9.100 1.00 0.00 C ATOM 1108 C LYS A 78 -1.155 -12.657 9.146 1.00 0.00 C ATOM 1109 O LYS A 78 -1.308 -13.871 9.282 1.00 0.00 O ATOM 1110 CB LYS A 78 -2.727 -11.407 7.648 1.00 0.00 C ATOM 1111 CG LYS A 78 -2.874 -12.641 6.775 1.00 0.00 C ATOM 1112 CD LYS A 78 -3.309 -12.280 5.365 1.00 0.00 C ATOM 1113 CE LYS A 78 -4.753 -11.811 5.331 1.00 0.00 C ATOM 1114 NZ LYS A 78 -5.257 -11.665 3.937 1.00 0.00 N ATOM 0 H LYS A 78 -1.107 -10.240 9.899 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.198 -12.222 9.580 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.663 -10.849 7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.962 -10.759 7.220 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.925 -13.176 6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.604 -13.317 7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.661 -11.496 4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.191 -13.146 4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.378 -12.522 5.871 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.837 -10.856 5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.295 -11.730 3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.967 -10.741 3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.861 -12.422 3.344 1.00 0.00 H new ATOM 1128 N ASN A 79 0.040 -12.088 9.034 1.00 0.00 N ATOM 1129 CA ASN A 79 1.268 -12.877 9.063 1.00 0.00 C ATOM 1130 C ASN A 79 1.975 -12.736 10.408 1.00 0.00 C ATOM 1131 O ASN A 79 1.846 -13.595 11.282 1.00 0.00 O ATOM 1132 CB ASN A 79 2.202 -12.447 7.931 1.00 0.00 C ATOM 1133 CG ASN A 79 1.556 -12.588 6.567 1.00 0.00 C ATOM 1134 OD1 ASN A 79 1.641 -13.640 5.932 1.00 0.00 O ATOM 1135 ND2 ASN A 79 0.905 -11.525 6.108 1.00 0.00 N ATOM 0 H ASN A 79 0.186 -11.085 8.922 1.00 0.00 H new ATOM 0 HA ASN A 79 1.001 -13.925 8.924 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.501 -11.410 8.084 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.110 -13.048 7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.450 -11.560 5.196 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.860 -10.674 6.668 1.00 0.00 H new ATOM 1142 N GLN A 80 2.723 -11.650 10.566 1.00 0.00 N ATOM 1143 CA GLN A 80 3.449 -11.388 11.804 1.00 0.00 C ATOM 1144 C GLN A 80 3.169 -9.973 12.293 1.00 0.00 C ATOM 1145 O GLN A 80 3.813 -9.482 13.220 1.00 0.00 O ATOM 1146 CB GLN A 80 4.952 -11.579 11.590 1.00 0.00 C ATOM 1147 CG GLN A 80 5.335 -12.989 11.172 1.00 0.00 C ATOM 1148 CD GLN A 80 6.826 -13.149 10.956 1.00 0.00 C ATOM 1149 OE1 GLN A 80 7.514 -12.203 10.569 1.00 0.00 O ATOM 1150 NE2 GLN A 80 7.336 -14.350 11.203 1.00 0.00 N ATOM 0 H GLN A 80 2.843 -10.934 9.850 1.00 0.00 H new ATOM 0 HA GLN A 80 3.108 -12.096 12.560 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.294 -10.878 10.828 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.476 -11.328 12.512 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.005 -13.693 11.936 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.809 -13.247 10.253 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.730 -15.106 11.522 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.334 -14.517 11.074 1.00 0.00 H new ATOM 1159 N LYS A 81 2.199 -9.325 11.657 1.00 0.00 N ATOM 1160 CA LYS A 81 1.821 -7.964 12.010 1.00 0.00 C ATOM 1161 C LYS A 81 0.611 -7.951 12.937 1.00 0.00 C ATOM 1162 O LYS A 81 0.140 -8.999 13.380 1.00 0.00 O ATOM 1163 CB LYS A 81 1.504 -7.171 10.742 1.00 0.00 C ATOM 1164 CG LYS A 81 2.694 -6.994 9.821 1.00 0.00 C ATOM 1165 CD LYS A 81 3.692 -5.998 10.385 1.00 0.00 C ATOM 1166 CE LYS A 81 4.937 -5.922 9.522 1.00 0.00 C ATOM 1167 NZ LYS A 81 5.853 -4.832 9.958 1.00 0.00 N ATOM 0 H LYS A 81 1.658 -9.725 10.890 1.00 0.00 H new ATOM 0 HA LYS A 81 2.659 -7.504 12.534 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.707 -7.677 10.198 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.124 -6.189 11.024 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.184 -7.956 9.670 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.351 -6.654 8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.230 -5.013 10.449 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.966 -6.288 11.399 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.464 -6.875 9.561 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.649 -5.759 8.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.691 -4.815 9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.360 -3.919 9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.149 -5.000 10.941 1.00 0.00 H new ATOM 1181 N SER A 82 0.115 -6.752 13.224 1.00 0.00 N ATOM 1182 CA SER A 82 -1.049 -6.584 14.084 1.00 0.00 C ATOM 1183 C SER A 82 -2.056 -5.649 13.422 1.00 0.00 C ATOM 1184 O SER A 82 -3.268 -5.828 13.549 1.00 0.00 O ATOM 1185 CB SER A 82 -0.634 -6.030 15.448 1.00 0.00 C ATOM 1186 OG SER A 82 0.271 -6.904 16.100 1.00 0.00 O ATOM 0 H SER A 82 0.504 -5.878 12.871 1.00 0.00 H new ATOM 0 HA SER A 82 -1.514 -7.558 14.234 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.171 -5.051 15.321 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.518 -5.887 16.070 1.00 0.00 H new ATOM 0 HG SER A 82 0.522 -6.526 16.969 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.534 -4.653 12.714 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.366 -3.686 12.008 1.00 0.00 C ATOM 1194 C PHE A 83 -2.163 -3.836 10.503 1.00 0.00 C ATOM 1195 O PHE A 83 -1.215 -3.287 9.942 1.00 0.00 O ATOM 1196 CB PHE A 83 -2.010 -2.262 12.439 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.778 -2.109 13.915 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -2.798 -2.346 14.823 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.536 -1.722 14.391 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.581 -2.199 16.180 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.314 -1.575 15.747 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.338 -1.813 16.642 1.00 0.00 C ATOM 0 H PHE A 83 -0.531 -4.494 12.614 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.411 -3.875 12.254 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.113 -1.946 11.906 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.814 -1.591 12.137 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.772 -2.648 14.467 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.268 -1.533 13.695 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.383 -2.386 16.879 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.659 -1.274 16.106 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.167 -1.697 17.702 1.00 0.00 H new ATOM 1212 N VAL A 84 -3.049 -4.586 9.854 1.00 0.00 N ATOM 1213 CA VAL A 84 -2.937 -4.816 8.418 1.00 0.00 C ATOM 1214 C VAL A 84 -4.216 -4.442 7.677 1.00 0.00 C ATOM 1215 O VAL A 84 -5.316 -4.586 8.202 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.603 -6.296 8.122 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.807 -6.629 6.649 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.182 -6.621 8.552 1.00 0.00 C ATOM 0 H VAL A 84 -3.847 -5.042 10.296 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.129 -4.176 8.063 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.291 -6.913 8.700 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.563 -7.677 6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.847 -6.448 6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.157 -6.000 6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.967 -7.667 8.335 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.483 -5.986 8.008 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.076 -6.443 9.622 1.00 0.00 H new ATOM 1228 N PHE A 85 -4.047 -3.950 6.453 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.171 -3.580 5.599 1.00 0.00 C ATOM 1230 C PHE A 85 -5.074 -4.351 4.290 1.00 0.00 C ATOM 1231 O PHE A 85 -3.986 -4.514 3.740 1.00 0.00 O ATOM 1232 CB PHE A 85 -5.185 -2.076 5.327 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.743 -1.259 6.455 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -5.076 -1.173 7.667 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -6.936 -0.574 6.301 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.590 -0.416 8.703 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.455 0.185 7.332 1.00 0.00 C ATOM 1238 CZ PHE A 85 -6.781 0.263 8.535 1.00 0.00 C ATOM 0 H PHE A 85 -3.133 -3.797 6.027 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.101 -3.832 6.109 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.167 -1.745 5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.771 -1.885 4.428 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.145 -1.703 7.803 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.468 -0.634 5.363 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.061 -0.356 9.643 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.386 0.716 7.198 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.185 0.854 9.344 1.00 0.00 H new ATOM 1248 N ILE A 86 -6.207 -4.823 3.789 1.00 0.00 N ATOM 1249 CA ILE A 86 -6.215 -5.601 2.558 1.00 0.00 C ATOM 1250 C ILE A 86 -6.987 -4.912 1.438 1.00 0.00 C ATOM 1251 O ILE A 86 -8.059 -4.351 1.654 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.829 -6.993 2.793 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -6.084 -7.721 3.913 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -6.802 -7.812 1.510 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -6.769 -8.993 4.365 1.00 0.00 C ATOM 0 H ILE A 86 -7.125 -4.683 4.211 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.173 -5.696 2.253 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.868 -6.867 3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.077 -7.961 3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.981 -7.050 4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.240 -8.793 1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.375 -7.298 0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.771 -7.932 1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.186 -9.457 5.161 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.766 -8.757 4.736 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.848 -9.682 3.524 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.416 -4.959 0.238 1.00 0.00 N ATOM 1268 CA LEU A 87 -7.049 -4.384 -0.938 1.00 0.00 C ATOM 1269 C LEU A 87 -7.724 -5.487 -1.742 1.00 0.00 C ATOM 1270 O LEU A 87 -7.099 -6.498 -2.067 1.00 0.00 O ATOM 1271 CB LEU A 87 -6.022 -3.655 -1.811 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.586 -2.278 -1.303 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.579 -1.656 -2.259 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.790 -1.365 -1.133 1.00 0.00 C ATOM 0 H LEU A 87 -5.511 -5.393 0.057 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.795 -3.659 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.138 -4.285 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.438 -3.539 -2.812 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.110 -2.404 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.278 -0.677 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.703 -2.300 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.033 -1.544 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.460 -0.391 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.293 -1.244 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.481 -1.804 -0.413 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.996 -5.291 -2.060 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.750 -6.283 -2.812 1.00 0.00 C ATOM 1288 C GLU A 88 -10.159 -5.725 -4.172 1.00 0.00 C ATOM 1289 O GLU A 88 -11.025 -4.855 -4.256 1.00 0.00 O ATOM 1290 CB GLU A 88 -10.987 -6.719 -2.025 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.662 -7.318 -0.664 1.00 0.00 C ATOM 1292 CD GLU A 88 -11.903 -7.735 0.099 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.450 -6.899 0.847 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.329 -8.901 -0.051 1.00 0.00 O ATOM 0 H GLU A 88 -9.526 -4.456 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.113 -7.153 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.642 -5.859 -1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.542 -7.451 -2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.014 -8.184 -0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.105 -6.590 -0.074 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.544 -6.225 -5.259 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.838 -5.757 -6.616 1.00 0.00 C ATOM 1303 C PRO A 89 -11.320 -5.837 -6.954 1.00 0.00 C ATOM 1304 O PRO A 89 -12.053 -6.659 -6.403 1.00 0.00 O ATOM 1305 CB PRO A 89 -9.036 -6.706 -7.514 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.664 -7.856 -6.643 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.534 -7.293 -5.261 1.00 0.00 C ATOM 0 HA PRO A 89 -9.573 -4.707 -6.741 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.630 -7.035 -8.367 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.150 -6.213 -7.914 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.425 -8.636 -6.678 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.728 -8.309 -6.971 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.735 -8.043 -4.496 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.533 -6.906 -5.073 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.751 -4.973 -7.864 1.00 0.00 N ATOM 1316 CA LYS A 90 -13.141 -4.935 -8.289 1.00 0.00 C ATOM 1317 C LYS A 90 -13.246 -5.179 -9.789 1.00 0.00 C ATOM 1318 O LYS A 90 -14.339 -5.163 -10.355 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.765 -3.582 -7.939 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.688 -3.237 -6.461 1.00 0.00 C ATOM 1321 CD LYS A 90 -14.318 -1.885 -6.168 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.823 -1.906 -6.391 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.446 -0.585 -6.105 1.00 0.00 N ATOM 0 H LYS A 90 -11.153 -4.286 -8.323 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.682 -5.723 -7.765 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.264 -2.802 -8.512 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.810 -3.583 -8.249 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.194 -4.008 -5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.646 -3.230 -6.142 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.107 -1.601 -5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.866 -1.127 -6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -16.033 -2.191 -7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.274 -2.666 -5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.471 -0.642 -6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.268 -0.324 -5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -16.035 0.136 -6.732 1.00 0.00 H new ATOM 1337 N GLN A 91 -12.101 -5.407 -10.427 1.00 0.00 N ATOM 1338 CA GLN A 91 -12.067 -5.650 -11.867 1.00 0.00 C ATOM 1339 C GLN A 91 -12.805 -6.932 -12.224 1.00 0.00 C ATOM 1340 O GLN A 91 -13.809 -6.899 -12.937 1.00 0.00 O ATOM 1341 CB GLN A 91 -10.622 -5.714 -12.365 1.00 0.00 C ATOM 1342 CG GLN A 91 -10.500 -6.039 -13.846 1.00 0.00 C ATOM 1343 CD GLN A 91 -11.211 -5.030 -14.727 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -12.392 -5.186 -15.040 1.00 0.00 O ATOM 1345 NE2 GLN A 91 -10.493 -3.989 -15.133 1.00 0.00 N ATOM 0 H GLN A 91 -11.188 -5.429 -9.972 1.00 0.00 H new ATOM 0 HA GLN A 91 -12.572 -4.819 -12.360 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.137 -4.757 -12.171 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.082 -6.467 -11.791 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.446 -6.075 -14.120 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -10.912 -7.031 -14.031 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -9.517 -3.900 -14.849 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -10.917 -3.278 -15.729 1.00 0.00 H new ATOM 1354 N GLN A 92 -12.309 -8.060 -11.729 1.00 0.00 N ATOM 1355 CA GLN A 92 -12.936 -9.345 -12.011 1.00 0.00 C ATOM 1356 C GLN A 92 -12.375 -10.450 -11.123 1.00 0.00 C ATOM 1357 O GLN A 92 -12.987 -10.825 -10.122 1.00 0.00 O ATOM 1358 CB GLN A 92 -12.737 -9.713 -13.482 1.00 0.00 C ATOM 1359 CG GLN A 92 -14.000 -10.211 -14.157 1.00 0.00 C ATOM 1360 CD GLN A 92 -14.622 -11.393 -13.439 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -14.301 -12.547 -13.726 1.00 0.00 O ATOM 1362 NE2 GLN A 92 -15.519 -11.112 -12.502 1.00 0.00 N ATOM 0 H GLN A 92 -11.481 -8.111 -11.135 1.00 0.00 H new ATOM 0 HA GLN A 92 -14.001 -9.249 -11.798 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.367 -8.840 -14.020 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.968 -10.482 -13.555 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.725 -9.399 -14.206 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -13.770 -10.495 -15.184 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -15.755 -10.141 -12.297 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.972 -11.867 -11.987 1.00 0.00 H new ATOM 1371 N GLY A 93 -11.209 -10.967 -11.495 1.00 0.00 N ATOM 1372 CA GLY A 93 -10.592 -12.032 -10.733 1.00 0.00 C ATOM 1373 C GLY A 93 -9.145 -11.739 -10.391 1.00 0.00 C ATOM 1374 O GLY A 93 -8.300 -12.635 -10.406 1.00 0.00 O ATOM 0 H GLY A 93 -10.680 -10.665 -12.313 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.155 -12.189 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.647 -12.960 -11.302 1.00 0.00 H new ATOM 1378 N ASP A 94 -8.861 -10.479 -10.083 1.00 0.00 N ATOM 1379 CA ASP A 94 -7.508 -10.059 -9.736 1.00 0.00 C ATOM 1380 C ASP A 94 -7.154 -10.504 -8.316 1.00 0.00 C ATOM 1381 O ASP A 94 -8.040 -10.781 -7.509 1.00 0.00 O ATOM 1382 CB ASP A 94 -7.381 -8.540 -9.858 1.00 0.00 C ATOM 1383 CG ASP A 94 -8.443 -7.941 -10.758 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -9.610 -7.854 -10.321 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -8.109 -7.564 -11.901 1.00 0.00 O ATOM 0 H ASP A 94 -9.551 -9.728 -10.066 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.811 -10.530 -10.430 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.453 -8.092 -8.867 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.395 -8.291 -10.249 1.00 0.00 H new ATOM 1390 N PRO A 95 -5.849 -10.579 -7.994 1.00 0.00 N ATOM 1391 CA PRO A 95 -5.384 -10.997 -6.670 1.00 0.00 C ATOM 1392 C PRO A 95 -5.406 -9.861 -5.644 1.00 0.00 C ATOM 1393 O PRO A 95 -5.301 -8.690 -6.005 1.00 0.00 O ATOM 1394 CB PRO A 95 -3.949 -11.435 -6.944 1.00 0.00 C ATOM 1395 CG PRO A 95 -3.501 -10.554 -8.059 1.00 0.00 C ATOM 1396 CD PRO A 95 -4.722 -10.271 -8.897 1.00 0.00 C ATOM 0 HA PRO A 95 -6.020 -11.770 -6.238 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.320 -11.311 -6.062 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.901 -12.487 -7.225 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.072 -9.629 -7.674 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.728 -11.042 -8.652 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.748 -9.233 -9.229 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.745 -10.892 -9.792 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.545 -10.200 -4.346 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.572 -9.211 -3.268 1.00 0.00 C ATOM 1406 C PRO A 96 -4.170 -8.801 -2.826 1.00 0.00 C ATOM 1407 O PRO A 96 -3.184 -9.436 -3.201 1.00 0.00 O ATOM 1408 CB PRO A 96 -6.288 -9.959 -2.147 1.00 0.00 C ATOM 1409 CG PRO A 96 -5.903 -11.386 -2.345 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.695 -11.574 -3.829 1.00 0.00 C ATOM 0 HA PRO A 96 -6.057 -8.281 -3.566 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.978 -9.597 -1.167 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.368 -9.827 -2.209 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -4.993 -11.622 -1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.682 -12.053 -1.975 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.810 -12.177 -4.035 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.542 -12.083 -4.289 1.00 0.00 H new ATOM 1418 N VAL A 97 -4.083 -7.739 -2.028 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.794 -7.252 -1.543 1.00 0.00 C ATOM 1420 C VAL A 97 -2.873 -6.824 -0.078 1.00 0.00 C ATOM 1421 O VAL A 97 -3.797 -6.117 0.321 1.00 0.00 O ATOM 1422 CB VAL A 97 -2.288 -6.065 -2.385 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.912 -5.620 -1.912 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -2.260 -6.426 -3.862 1.00 0.00 C ATOM 0 H VAL A 97 -4.887 -7.201 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.093 -8.082 -1.636 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.979 -5.233 -2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.572 -4.781 -2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.968 -5.313 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.209 -6.447 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.900 -5.574 -4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.595 -7.276 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.265 -6.688 -4.192 1.00 0.00 H new ATOM 1434 N GLU A 98 -1.897 -7.257 0.716 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.853 -6.918 2.135 1.00 0.00 C ATOM 1436 C GLU A 98 -0.832 -5.815 2.409 1.00 0.00 C ATOM 1437 O GLU A 98 0.231 -5.771 1.790 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.501 -8.156 2.965 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.601 -9.204 3.008 1.00 0.00 C ATOM 1440 CD GLU A 98 -2.978 -9.721 1.634 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -2.244 -10.581 1.101 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -4.006 -9.267 1.090 1.00 0.00 O ATOM 0 H GLU A 98 -1.125 -7.844 0.400 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.841 -6.555 2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.597 -8.609 2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.270 -7.844 3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.276 -10.039 3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.484 -8.778 3.485 1.00 0.00 H new ATOM 1449 N PHE A 99 -1.168 -4.926 3.340 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.283 -3.823 3.711 1.00 0.00 C ATOM 1451 C PHE A 99 -0.134 -3.740 5.230 1.00 0.00 C ATOM 1452 O PHE A 99 -0.979 -4.244 5.968 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.832 -2.495 3.188 1.00 0.00 C ATOM 1454 CG PHE A 99 -1.007 -2.434 1.698 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -2.060 -3.089 1.083 1.00 0.00 C ATOM 1456 CD2 PHE A 99 -0.124 -1.709 0.915 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -2.229 -3.023 -0.285 1.00 0.00 C ATOM 1458 CE2 PHE A 99 -0.286 -1.641 -0.455 1.00 0.00 C ATOM 1459 CZ PHE A 99 -1.341 -2.299 -1.056 1.00 0.00 C ATOM 0 H PHE A 99 -2.049 -4.947 3.853 1.00 0.00 H new ATOM 0 HA PHE A 99 0.693 -4.012 3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.795 -2.303 3.662 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.160 -1.693 3.495 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.757 -3.658 1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.701 -1.191 1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.056 -3.537 -0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.411 -1.074 -1.055 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.471 -2.247 -2.127 1.00 0.00 H new ATOM 1469 N ALA A 100 0.936 -3.099 5.696 1.00 0.00 N ATOM 1470 CA ALA A 100 1.168 -2.957 7.132 1.00 0.00 C ATOM 1471 C ALA A 100 2.117 -1.803 7.444 1.00 0.00 C ATOM 1472 O ALA A 100 2.949 -1.426 6.619 1.00 0.00 O ATOM 1473 CB ALA A 100 1.712 -4.255 7.709 1.00 0.00 C ATOM 0 H ALA A 100 1.651 -2.673 5.106 1.00 0.00 H new ATOM 0 HA ALA A 100 0.209 -2.730 7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.880 -4.135 8.779 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.993 -5.057 7.542 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.653 -4.504 7.219 1.00 0.00 H new ATOM 1479 N THR A 101 1.979 -1.248 8.647 1.00 0.00 N ATOM 1480 CA THR A 101 2.824 -0.143 9.092 1.00 0.00 C ATOM 1481 C THR A 101 3.577 -0.518 10.364 1.00 0.00 C ATOM 1482 O THR A 101 3.578 -1.679 10.776 1.00 0.00 O ATOM 1483 CB THR A 101 1.999 1.131 9.358 1.00 0.00 C ATOM 1484 OG1 THR A 101 0.895 0.832 10.219 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.488 1.731 8.056 1.00 0.00 C ATOM 0 H THR A 101 1.286 -1.548 9.333 1.00 0.00 H new ATOM 0 HA THR A 101 3.533 0.058 8.289 1.00 0.00 H new ATOM 0 HB THR A 101 2.648 1.860 9.843 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.982 1.342 11.052 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.909 2.629 8.272 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.333 1.989 7.418 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.855 1.005 7.545 1.00 0.00 H new ATOM 1493 N ASP A 102 4.218 0.469 10.985 1.00 0.00 N ATOM 1494 CA ASP A 102 4.973 0.237 12.211 1.00 0.00 C ATOM 1495 C ASP A 102 4.418 1.073 13.360 1.00 0.00 C ATOM 1496 O ASP A 102 4.901 0.992 14.490 1.00 0.00 O ATOM 1497 CB ASP A 102 6.451 0.567 11.995 1.00 0.00 C ATOM 1498 CG ASP A 102 7.069 -0.252 10.879 1.00 0.00 C ATOM 1499 OD1 ASP A 102 7.031 0.204 9.717 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.591 -1.350 11.167 1.00 0.00 O ATOM 0 H ASP A 102 4.229 1.435 10.659 1.00 0.00 H new ATOM 0 HA ASP A 102 4.876 -0.817 12.472 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.554 1.627 11.764 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.999 0.388 12.920 1.00 0.00 H new ATOM 1505 N ARG A 103 3.399 1.874 13.064 1.00 0.00 N ATOM 1506 CA ARG A 103 2.777 2.730 14.070 1.00 0.00 C ATOM 1507 C ARG A 103 1.283 2.880 13.804 1.00 0.00 C ATOM 1508 O ARG A 103 0.804 2.575 12.712 1.00 0.00 O ATOM 1509 CB ARG A 103 3.441 4.109 14.080 1.00 0.00 C ATOM 1510 CG ARG A 103 4.920 4.076 14.429 1.00 0.00 C ATOM 1511 CD ARG A 103 5.524 5.470 14.434 1.00 0.00 C ATOM 1512 NE ARG A 103 6.944 5.450 14.780 1.00 0.00 N ATOM 1513 CZ ARG A 103 7.624 6.525 15.165 1.00 0.00 C ATOM 1514 NH1 ARG A 103 7.020 7.702 15.253 1.00 0.00 N ATOM 1515 NH2 ARG A 103 8.913 6.422 15.463 1.00 0.00 N ATOM 0 H ARG A 103 2.986 1.949 12.135 1.00 0.00 H new ATOM 0 HA ARG A 103 2.913 2.260 15.044 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.319 4.568 13.099 1.00 0.00 H new ATOM 0 HB3 ARG A 103 2.922 4.746 14.796 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.053 3.618 15.409 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.450 3.451 13.710 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.397 5.924 13.451 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.986 6.096 15.146 1.00 0.00 H new ATOM 0 HE ARG A 103 7.441 4.561 14.723 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.029 7.785 15.025 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.546 8.524 15.549 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.381 5.518 15.396 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.436 7.247 15.759 1.00 0.00 H new ATOM 1529 N VAL A 104 0.552 3.353 14.809 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.887 3.546 14.679 1.00 0.00 C ATOM 1531 C VAL A 104 -1.195 4.820 13.896 1.00 0.00 C ATOM 1532 O VAL A 104 -2.202 4.899 13.191 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.576 3.612 16.056 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -1.095 4.824 16.841 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -3.089 3.631 15.899 1.00 0.00 C ATOM 0 H VAL A 104 0.932 3.609 15.720 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.278 2.685 14.136 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.306 2.718 16.617 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.594 4.851 17.810 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.017 4.757 16.990 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.329 5.733 16.287 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.556 3.678 16.883 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.383 4.503 15.316 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.413 2.725 15.386 1.00 0.00 H new ATOM 1545 N GLU A 105 -0.321 5.814 14.025 1.00 0.00 N ATOM 1546 CA GLU A 105 -0.495 7.082 13.325 1.00 0.00 C ATOM 1547 C GLU A 105 -0.247 6.905 11.832 1.00 0.00 C ATOM 1548 O GLU A 105 -1.073 7.294 11.006 1.00 0.00 O ATOM 1549 CB GLU A 105 0.454 8.140 13.893 1.00 0.00 C ATOM 1550 CG GLU A 105 0.242 8.416 15.373 1.00 0.00 C ATOM 1551 CD GLU A 105 1.202 9.456 15.914 1.00 0.00 C ATOM 1552 OE1 GLU A 105 0.865 10.657 15.869 1.00 0.00 O ATOM 1553 OE2 GLU A 105 2.294 9.069 16.384 1.00 0.00 O ATOM 0 H GLU A 105 0.515 5.766 14.608 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.522 7.417 13.472 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.483 7.815 13.736 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.325 9.068 13.337 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.782 8.754 15.533 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.363 7.489 15.933 1.00 0.00 H new ATOM 1560 N GLU A 106 0.898 6.319 11.492 1.00 0.00 N ATOM 1561 CA GLU A 106 1.247 6.078 10.097 1.00 0.00 C ATOM 1562 C GLU A 106 0.198 5.190 9.443 1.00 0.00 C ATOM 1563 O GLU A 106 -0.008 5.236 8.230 1.00 0.00 O ATOM 1564 CB GLU A 106 2.620 5.409 9.996 1.00 0.00 C ATOM 1565 CG GLU A 106 3.690 6.072 10.845 1.00 0.00 C ATOM 1566 CD GLU A 106 3.980 7.496 10.417 1.00 0.00 C ATOM 1567 OE1 GLU A 106 3.294 8.416 10.913 1.00 0.00 O ATOM 1568 OE2 GLU A 106 4.890 7.693 9.586 1.00 0.00 O ATOM 0 H GLU A 106 1.598 6.003 12.163 1.00 0.00 H new ATOM 0 HA GLU A 106 1.282 7.037 9.580 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.528 4.365 10.295 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.941 5.415 8.954 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.374 6.068 11.888 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.607 5.486 10.788 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.460 4.381 10.266 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.491 3.470 9.787 1.00 0.00 C ATOM 1577 C LEU A 107 -2.709 4.239 9.296 1.00 0.00 C ATOM 1578 O LEU A 107 -3.125 4.097 8.148 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.912 2.519 10.908 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.879 1.414 10.483 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -2.114 0.139 10.182 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -3.922 1.165 11.559 1.00 0.00 C ATOM 0 H LEU A 107 -0.296 4.338 11.272 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.077 2.898 8.956 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.018 2.058 11.329 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.375 3.101 11.704 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.396 1.737 9.579 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.812 -0.642 9.880 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.404 0.322 9.375 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.575 -0.181 11.074 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.599 0.375 11.234 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.427 0.862 12.482 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.489 2.079 11.734 1.00 0.00 H new ATOM 1594 N PHE A 108 -3.270 5.060 10.174 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.451 5.845 9.844 1.00 0.00 C ATOM 1596 C PHE A 108 -4.147 6.891 8.779 1.00 0.00 C ATOM 1597 O PHE A 108 -5.027 7.290 8.030 1.00 0.00 O ATOM 1598 CB PHE A 108 -5.004 6.527 11.096 1.00 0.00 C ATOM 1599 CG PHE A 108 -6.493 6.397 11.241 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -7.054 5.231 11.738 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -7.330 7.440 10.880 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -8.424 5.109 11.872 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -8.701 7.323 11.012 1.00 0.00 C ATOM 1604 CZ PHE A 108 -9.248 6.156 11.508 1.00 0.00 C ATOM 0 H PHE A 108 -2.924 5.199 11.123 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.200 5.161 9.445 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -4.523 6.099 11.976 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.740 7.584 11.071 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.414 4.409 12.023 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.907 8.354 10.491 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.850 4.196 12.261 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.344 8.143 10.728 1.00 0.00 H new ATOM 0 HZ PHE A 108 -10.319 6.062 11.611 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.901 7.338 8.713 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.517 8.355 7.740 1.00 0.00 C ATOM 1616 C GLU A 109 -2.458 7.791 6.320 1.00 0.00 C ATOM 1617 O GLU A 109 -3.165 8.258 5.423 1.00 0.00 O ATOM 1618 CB GLU A 109 -1.159 8.949 8.122 1.00 0.00 C ATOM 1619 CG GLU A 109 -0.677 10.036 7.177 1.00 0.00 C ATOM 1620 CD GLU A 109 -1.583 11.252 7.175 1.00 0.00 C ATOM 1621 OE1 GLU A 109 -1.350 12.167 7.993 1.00 0.00 O ATOM 1622 OE2 GLU A 109 -2.525 11.290 6.356 1.00 0.00 O ATOM 0 H GLU A 109 -2.143 7.017 9.315 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.279 9.134 7.754 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.223 9.359 9.130 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.418 8.150 8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.331 10.339 7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.615 9.632 6.166 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.629 6.772 6.126 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.459 6.157 4.812 1.00 0.00 C ATOM 1631 C TRP A 110 -2.706 5.405 4.355 1.00 0.00 C ATOM 1632 O TRP A 110 -3.172 5.591 3.231 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.267 5.198 4.834 1.00 0.00 C ATOM 1634 CG TRP A 110 1.007 5.814 4.345 1.00 0.00 C ATOM 1635 CD1 TRP A 110 1.984 6.395 5.104 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.447 5.907 2.986 1.00 0.00 C ATOM 1637 NE1 TRP A 110 3.003 6.842 4.297 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.696 6.554 2.995 1.00 0.00 C ATOM 1639 CE3 TRP A 110 0.906 5.506 1.759 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.412 6.808 1.829 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.620 5.760 0.602 1.00 0.00 C ATOM 1642 CH2 TRP A 110 2.860 6.404 0.645 1.00 0.00 C ATOM 0 H TRP A 110 -1.062 6.352 6.863 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.281 6.964 4.102 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.119 4.838 5.852 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.500 4.328 4.219 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.959 6.489 6.180 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.850 7.312 4.617 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.051 5.008 1.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.370 7.307 1.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.213 5.456 -0.351 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.393 6.586 -0.276 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.244 4.562 5.227 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.417 3.762 4.890 1.00 0.00 C ATOM 1655 C PHE A 111 -5.658 4.616 4.650 1.00 0.00 C ATOM 1656 O PHE A 111 -6.404 4.361 3.706 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.656 2.706 5.967 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.650 1.597 5.878 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.453 0.935 4.679 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -2.887 1.233 6.973 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.518 -0.068 4.571 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -1.948 0.223 6.871 1.00 0.00 C ATOM 1663 CZ PHE A 111 -1.763 -0.427 5.670 1.00 0.00 C ATOM 0 H PHE A 111 -2.888 4.414 6.171 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.215 3.257 3.945 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.602 3.170 6.952 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.661 2.297 5.861 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -4.042 1.210 3.816 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.026 1.742 7.915 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.375 -0.574 3.628 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.360 -0.056 7.733 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.029 -1.215 5.589 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.885 5.624 5.485 1.00 0.00 N ATOM 1674 CA GLN A 112 -7.042 6.493 5.298 1.00 0.00 C ATOM 1675 C GLN A 112 -6.967 7.145 3.922 1.00 0.00 C ATOM 1676 O GLN A 112 -7.986 7.338 3.260 1.00 0.00 O ATOM 1677 CB GLN A 112 -7.108 7.555 6.397 1.00 0.00 C ATOM 1678 CG GLN A 112 -8.423 8.313 6.459 1.00 0.00 C ATOM 1679 CD GLN A 112 -8.538 9.387 5.394 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -9.631 9.687 4.917 1.00 0.00 O ATOM 1681 NE2 GLN A 112 -7.407 9.977 5.022 1.00 0.00 N ATOM 0 H GLN A 112 -5.296 5.857 6.284 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.951 5.894 5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.933 7.075 7.360 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -6.298 8.269 6.245 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -9.248 7.609 6.348 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.526 8.772 7.442 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -6.522 9.696 5.445 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -7.424 10.711 4.314 1.00 0.00 H new ATOM 1690 N SER A 113 -5.747 7.477 3.497 1.00 0.00 N ATOM 1691 CA SER A 113 -5.536 8.076 2.183 1.00 0.00 C ATOM 1692 C SER A 113 -5.885 7.067 1.093 1.00 0.00 C ATOM 1693 O SER A 113 -6.521 7.412 0.097 1.00 0.00 O ATOM 1694 CB SER A 113 -4.086 8.539 2.029 1.00 0.00 C ATOM 1695 OG SER A 113 -3.755 9.510 3.006 1.00 0.00 O ATOM 0 H SER A 113 -4.896 7.341 4.042 1.00 0.00 H new ATOM 0 HA SER A 113 -6.186 8.946 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.416 7.684 2.120 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.938 8.956 1.033 1.00 0.00 H new ATOM 0 HG SER A 113 -3.550 9.064 3.854 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.458 5.817 1.282 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.765 4.767 0.319 1.00 0.00 C ATOM 1703 C ILE A 114 -7.276 4.631 0.200 1.00 0.00 C ATOM 1704 O ILE A 114 -7.808 4.315 -0.865 1.00 0.00 O ATOM 1705 CB ILE A 114 -5.151 3.405 0.725 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.618 3.481 0.713 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.641 2.303 -0.208 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.932 2.171 1.057 1.00 0.00 C ATOM 0 H ILE A 114 -4.906 5.513 2.084 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.328 5.049 -0.639 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.474 3.168 1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.288 3.804 -0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.297 4.245 1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.201 1.351 0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.727 2.234 -0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.346 2.535 -1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.851 2.308 1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.230 1.856 2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.222 1.408 0.334 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.959 4.881 1.315 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.413 4.824 1.361 1.00 0.00 C ATOM 1722 C ARG A 115 -9.991 6.065 0.692 1.00 0.00 C ATOM 1723 O ARG A 115 -11.080 6.033 0.121 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.895 4.746 2.813 1.00 0.00 C ATOM 1725 CG ARG A 115 -9.424 3.507 3.553 1.00 0.00 C ATOM 1726 CD ARG A 115 -9.938 3.492 4.984 1.00 0.00 C ATOM 1727 NE ARG A 115 -8.888 3.156 5.941 1.00 0.00 N ATOM 1728 CZ ARG A 115 -8.922 3.508 7.224 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -9.953 4.191 7.700 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -7.924 3.176 8.031 1.00 0.00 N ATOM 0 H ARG A 115 -7.522 5.127 2.203 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.751 3.933 0.831 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.549 5.630 3.348 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.985 4.772 2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.769 2.615 3.030 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.335 3.474 3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -10.353 4.469 5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -10.750 2.770 5.069 1.00 0.00 H new ATOM 0 HE ARG A 115 -8.085 2.623 5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -10.723 4.448 7.083 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -9.976 4.459 8.684 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.129 2.650 7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.951 3.447 9.014 1.00 0.00 H new ATOM 1744 N GLU A 116 -9.239 7.158 0.769 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.646 8.424 0.176 1.00 0.00 C ATOM 1746 C GLU A 116 -9.701 8.320 -1.345 1.00 0.00 C ATOM 1747 O GLU A 116 -10.316 9.151 -2.012 1.00 0.00 O ATOM 1748 CB GLU A 116 -8.676 9.535 0.586 1.00 0.00 C ATOM 1749 CG GLU A 116 -8.922 10.082 1.982 1.00 0.00 C ATOM 1750 CD GLU A 116 -8.081 11.307 2.280 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -6.859 11.154 2.486 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -8.646 12.422 2.306 1.00 0.00 O ATOM 0 H GLU A 116 -8.336 7.190 1.242 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.644 8.665 0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.657 9.153 0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.750 10.352 -0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.977 10.334 2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.703 9.307 2.717 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.046 7.299 -1.887 1.00 0.00 N ATOM 1760 CA ILE A 117 -9.011 7.092 -3.329 1.00 0.00 C ATOM 1761 C ILE A 117 -9.970 5.987 -3.764 1.00 0.00 C ATOM 1762 O ILE A 117 -10.521 6.030 -4.865 1.00 0.00 O ATOM 1763 CB ILE A 117 -7.588 6.743 -3.803 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -6.591 7.789 -3.298 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -7.545 6.644 -5.322 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -5.147 7.461 -3.608 1.00 0.00 C ATOM 0 H ILE A 117 -8.532 6.602 -1.349 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.326 8.029 -3.789 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.308 5.774 -3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.837 8.754 -3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -6.706 7.895 -2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.533 6.397 -5.642 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.231 5.866 -5.655 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -7.840 7.599 -5.757 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.503 8.249 -3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.881 6.512 -3.142 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.015 7.385 -4.687 1.00 0.00 H new ATOM 1778 N THR A 118 -10.168 4.997 -2.898 1.00 0.00 N ATOM 1779 CA THR A 118 -11.058 3.880 -3.207 1.00 0.00 C ATOM 1780 C THR A 118 -12.344 3.947 -2.390 1.00 0.00 C ATOM 1781 O THR A 118 -13.439 4.042 -2.942 1.00 0.00 O ATOM 1782 CB THR A 118 -10.370 2.528 -2.944 1.00 0.00 C ATOM 1783 OG1 THR A 118 -9.949 2.448 -1.576 1.00 0.00 O ATOM 1784 CG2 THR A 118 -9.169 2.344 -3.859 1.00 0.00 C ATOM 0 H THR A 118 -9.726 4.945 -1.980 1.00 0.00 H new ATOM 0 HA THR A 118 -11.303 3.961 -4.266 1.00 0.00 H new ATOM 0 HB THR A 118 -11.089 1.735 -3.150 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.233 3.098 -1.415 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.700 1.382 -3.654 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.495 2.375 -4.899 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.450 3.144 -3.681 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.198 3.895 -1.070 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.340 3.943 -0.163 1.00 0.00 C ATOM 1794 C TRP A 119 -14.147 5.226 -0.355 1.00 0.00 C ATOM 1795 O TRP A 119 -15.307 5.306 0.051 1.00 0.00 O ATOM 1796 CB TRP A 119 -12.854 3.838 1.283 1.00 0.00 C ATOM 1797 CG TRP A 119 -13.955 3.856 2.295 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -14.214 4.841 3.203 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -14.946 2.843 2.507 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -15.303 4.503 3.968 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -15.772 3.282 3.559 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -15.216 1.609 1.909 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -16.846 2.530 4.026 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -16.284 0.863 2.373 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -17.087 1.326 3.422 1.00 0.00 C ATOM 0 H TRP A 119 -11.295 3.819 -0.602 1.00 0.00 H new ATOM 0 HA TRP A 119 -13.993 3.100 -0.389 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.283 2.917 1.398 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -12.172 4.663 1.488 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.645 5.753 3.305 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -15.699 5.069 4.719 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -14.602 1.245 1.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -17.467 2.884 4.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -16.502 -0.092 1.919 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -17.914 0.720 3.762 1.00 0.00 H new