USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 516 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 59 GLN : amide:sc= -0.445 K(o=-2.4,f=-1.3) USER MOD Set 1.2: A 64 GLN : amide:sc= -1.99! K(o=-2.4!,f=-0.23) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 30:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 162:sc= -1.39 USER MOD Single : A 29 LYS NZ :NH3+ 152:sc= -0.263 (180deg=-1.37!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.0672 X(o=-0.067,f=0) USER MOD Single : A 38 ASN : amide:sc= -1.27 X(o=-1.3,f=-0.84) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.914 K(o=-0.91,f=-0.3) USER MOD Single : A 57 SER OG : rot 178:sc= -1.76 USER MOD Single : A 60 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.19) USER MOD Single : A 61 TYR OH : rot 180:sc= -2.01! USER MOD Single : A 63 HIS : no HD1:sc= -0.186 K(o=-0.19,f=-0.89) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00878 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -0.788 -17.126 1.813 1.00 0.00 N ATOM 143 CA HIS A 11 -0.456 -15.705 1.769 1.00 0.00 C ATOM 144 C HIS A 11 1.005 -15.474 2.145 1.00 0.00 C ATOM 145 O HIS A 11 1.671 -16.365 2.671 1.00 0.00 O ATOM 146 CB HIS A 11 -1.364 -14.918 2.718 1.00 0.00 C ATOM 147 CG HIS A 11 -1.814 -15.709 3.907 1.00 0.00 C ATOM 148 ND1 HIS A 11 -1.014 -15.858 5.014 1.00 0.00 N ATOM 149 CD2 HIS A 11 -2.976 -16.376 4.107 1.00 0.00 C ATOM 150 CE1 HIS A 11 -1.700 -16.606 5.859 1.00 0.00 C ATOM 151 NE2 HIS A 11 -2.896 -16.945 5.353 1.00 0.00 N ATOM 0 HA HIS A 11 -0.612 -15.354 0.749 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -0.834 -14.030 3.062 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -2.240 -14.574 2.168 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -3.805 -16.446 3.419 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.344 -16.907 6.833 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -3.609 -17.516 5.807 1.00 0.00 H new ATOM 159 N ILE A 12 1.492 -14.266 1.875 1.00 0.00 N ATOM 160 CA ILE A 12 2.870 -13.906 2.188 1.00 0.00 C ATOM 161 C ILE A 12 3.051 -13.720 3.692 1.00 0.00 C ATOM 162 O ILE A 12 2.115 -13.325 4.389 1.00 0.00 O ATOM 163 CB ILE A 12 3.282 -12.606 1.458 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.677 -12.154 1.897 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.262 -11.507 1.715 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.616 -11.889 0.740 1.00 0.00 C ATOM 0 H ILE A 12 0.951 -13.519 1.439 1.00 0.00 H new ATOM 0 HA ILE A 12 3.508 -14.721 1.847 1.00 0.00 H new ATOM 0 HB ILE A 12 3.311 -12.811 0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.585 -11.248 2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.112 -12.918 2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.567 -10.599 1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.285 -11.824 1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.202 -11.309 2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.586 -11.573 1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.737 -12.800 0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.202 -11.103 0.108 1.00 0.00 H new ATOM 178 N SER A 13 4.256 -14.008 4.186 1.00 0.00 N ATOM 179 CA SER A 13 4.559 -13.868 5.609 1.00 0.00 C ATOM 180 C SER A 13 4.010 -12.552 6.143 1.00 0.00 C ATOM 181 O SER A 13 3.296 -12.524 7.146 1.00 0.00 O ATOM 182 CB SER A 13 6.070 -13.936 5.839 1.00 0.00 C ATOM 183 OG SER A 13 6.370 -14.162 7.205 1.00 0.00 O ATOM 0 H SER A 13 5.038 -14.340 3.621 1.00 0.00 H new ATOM 0 HA SER A 13 4.083 -14.689 6.145 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.497 -14.735 5.233 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.533 -13.005 5.511 1.00 0.00 H new ATOM 0 HG SER A 13 7.342 -14.203 7.324 1.00 0.00 H new ATOM 189 N LYS A 14 4.335 -11.467 5.451 1.00 0.00 N ATOM 190 CA LYS A 14 3.865 -10.141 5.830 1.00 0.00 C ATOM 191 C LYS A 14 4.213 -9.123 4.751 1.00 0.00 C ATOM 192 O LYS A 14 5.269 -9.206 4.123 1.00 0.00 O ATOM 193 CB LYS A 14 4.472 -9.715 7.169 1.00 0.00 C ATOM 194 CG LYS A 14 5.976 -9.923 7.255 1.00 0.00 C ATOM 195 CD LYS A 14 6.629 -8.884 8.152 1.00 0.00 C ATOM 196 CE LYS A 14 8.080 -9.233 8.447 1.00 0.00 C ATOM 197 NZ LYS A 14 8.528 -8.683 9.758 1.00 0.00 N ATOM 0 H LYS A 14 4.926 -11.480 4.620 1.00 0.00 H new ATOM 0 HA LYS A 14 2.781 -10.183 5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.250 -8.661 7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.991 -10.276 7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.185 -10.921 7.640 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.410 -9.868 6.257 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.579 -7.906 7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.074 -8.810 9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.200 -10.316 8.448 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.716 -8.842 7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.522 -8.942 9.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.438 -7.647 9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.938 -9.075 10.519 1.00 0.00 H new ATOM 211 N TYR A 15 3.320 -8.163 4.542 1.00 0.00 N ATOM 212 CA TYR A 15 3.531 -7.128 3.539 1.00 0.00 C ATOM 213 C TYR A 15 3.890 -5.804 4.203 1.00 0.00 C ATOM 214 O TYR A 15 3.279 -5.415 5.196 1.00 0.00 O ATOM 215 CB TYR A 15 2.271 -6.957 2.689 1.00 0.00 C ATOM 216 CG TYR A 15 2.542 -6.761 1.214 1.00 0.00 C ATOM 217 CD1 TYR A 15 3.288 -5.680 0.759 1.00 0.00 C ATOM 218 CD2 TYR A 15 2.047 -7.657 0.274 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.532 -5.497 -0.590 1.00 0.00 C ATOM 220 CE2 TYR A 15 2.287 -7.482 -1.075 1.00 0.00 C ATOM 221 CZ TYR A 15 3.028 -6.402 -1.502 1.00 0.00 C ATOM 222 OH TYR A 15 3.267 -6.226 -2.845 1.00 0.00 O ATOM 0 H TYR A 15 2.442 -8.080 5.055 1.00 0.00 H new ATOM 0 HA TYR A 15 4.358 -7.433 2.898 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.637 -7.835 2.817 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.708 -6.101 3.061 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.684 -4.971 1.471 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.465 -8.505 0.604 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.113 -4.652 -0.928 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.895 -8.189 -1.792 1.00 0.00 H new ATOM 0 HH TYR A 15 4.126 -5.771 -2.967 1.00 0.00 H new ATOM 232 N ILE A 16 4.876 -5.109 3.648 1.00 0.00 N ATOM 233 CA ILE A 16 5.297 -3.827 4.194 1.00 0.00 C ATOM 234 C ILE A 16 5.010 -2.706 3.212 1.00 0.00 C ATOM 235 O ILE A 16 5.462 -2.738 2.068 1.00 0.00 O ATOM 236 CB ILE A 16 6.802 -3.806 4.543 1.00 0.00 C ATOM 237 CG1 ILE A 16 7.069 -4.638 5.798 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.287 -2.369 4.741 1.00 0.00 C ATOM 239 CD1 ILE A 16 7.079 -6.130 5.545 1.00 0.00 C ATOM 0 H ILE A 16 5.396 -5.411 2.824 1.00 0.00 H new ATOM 0 HA ILE A 16 4.726 -3.679 5.111 1.00 0.00 H new ATOM 0 HB ILE A 16 7.355 -4.244 3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 16 8.029 -4.343 6.222 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.308 -4.410 6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.349 -2.374 4.986 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.129 -1.802 3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.729 -1.906 5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.274 -6.656 6.479 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.111 -6.439 5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.859 -6.371 4.823 1.00 0.00 H new ATOM 251 N LEU A 17 4.273 -1.707 3.671 1.00 0.00 N ATOM 252 CA LEU A 17 3.948 -0.569 2.836 1.00 0.00 C ATOM 253 C LEU A 17 4.790 0.621 3.261 1.00 0.00 C ATOM 254 O LEU A 17 4.635 1.137 4.367 1.00 0.00 O ATOM 255 CB LEU A 17 2.457 -0.233 2.947 1.00 0.00 C ATOM 256 CG LEU A 17 1.987 0.959 2.107 1.00 0.00 C ATOM 257 CD1 LEU A 17 1.920 0.583 0.634 1.00 0.00 C ATOM 258 CD2 LEU A 17 0.632 1.452 2.596 1.00 0.00 C ATOM 0 H LEU A 17 3.891 -1.664 4.616 1.00 0.00 H new ATOM 0 HA LEU A 17 4.165 -0.812 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.881 -1.111 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.224 -0.033 3.993 1.00 0.00 H new ATOM 0 HG LEU A 17 2.710 1.767 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.584 1.443 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.909 0.278 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.219 -0.241 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.312 2.299 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.100 0.648 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.712 1.762 3.638 1.00 0.00 H new ATOM 270 N ARG A 18 5.683 1.046 2.379 1.00 0.00 N ATOM 271 CA ARG A 18 6.556 2.174 2.662 1.00 0.00 C ATOM 272 C ARG A 18 6.260 3.312 1.706 1.00 0.00 C ATOM 273 O ARG A 18 6.201 3.114 0.494 1.00 0.00 O ATOM 274 CB ARG A 18 8.027 1.767 2.553 1.00 0.00 C ATOM 275 CG ARG A 18 8.246 0.457 1.814 1.00 0.00 C ATOM 276 CD ARG A 18 9.270 -0.415 2.523 1.00 0.00 C ATOM 277 NE ARG A 18 10.622 -0.186 2.024 1.00 0.00 N ATOM 278 CZ ARG A 18 11.700 -0.795 2.508 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.583 -1.674 3.496 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.897 -0.529 2.003 1.00 0.00 N ATOM 0 H ARG A 18 5.822 0.625 1.460 1.00 0.00 H new ATOM 0 HA ARG A 18 6.367 2.505 3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.577 2.558 2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.447 1.683 3.555 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.301 -0.080 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.582 0.663 0.798 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.240 -0.212 3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.007 -1.464 2.390 1.00 0.00 H new ATOM 0 HE ARG A 18 10.747 0.479 1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.664 -1.884 3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.412 -2.140 3.865 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.992 0.144 1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.723 -0.997 2.375 1.00 0.00 H new ATOM 294 N TRP A 19 6.064 4.500 2.253 1.00 0.00 N ATOM 295 CA TRP A 19 5.760 5.654 1.430 1.00 0.00 C ATOM 296 C TRP A 19 6.207 6.951 2.097 1.00 0.00 C ATOM 297 O TRP A 19 6.370 7.015 3.319 1.00 0.00 O ATOM 298 CB TRP A 19 4.260 5.689 1.121 1.00 0.00 C ATOM 299 CG TRP A 19 3.410 6.055 2.295 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.885 7.280 2.559 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.981 5.195 3.357 1.00 0.00 C ATOM 302 NE1 TRP A 19 2.158 7.244 3.724 1.00 0.00 N ATOM 303 CE2 TRP A 19 2.201 5.973 4.232 1.00 0.00 C ATOM 304 CE3 TRP A 19 3.181 3.844 3.653 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.620 5.444 5.383 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.604 3.321 4.795 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.831 4.120 5.647 1.00 0.00 C ATOM 0 H TRP A 19 6.110 4.688 3.254 1.00 0.00 H new ATOM 0 HA TRP A 19 6.314 5.564 0.496 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.081 6.404 0.318 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.952 4.711 0.752 1.00 0.00 H new ATOM 0 HD1 TRP A 19 3.020 8.156 1.942 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.667 8.034 4.142 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.775 3.220 3.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 1.025 6.058 6.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.752 2.278 5.034 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.393 3.681 6.531 1.00 0.00 H new ATOM 318 N ARG A 20 6.404 7.976 1.271 1.00 0.00 N ATOM 319 CA ARG A 20 6.832 9.291 1.736 1.00 0.00 C ATOM 320 C ARG A 20 6.483 10.350 0.688 1.00 0.00 C ATOM 321 O ARG A 20 6.318 10.025 -0.488 1.00 0.00 O ATOM 322 CB ARG A 20 8.338 9.292 2.014 1.00 0.00 C ATOM 323 CG ARG A 20 9.192 9.180 0.761 1.00 0.00 C ATOM 324 CD ARG A 20 10.538 9.860 0.945 1.00 0.00 C ATOM 325 NE ARG A 20 11.547 9.329 0.035 1.00 0.00 N ATOM 326 CZ ARG A 20 12.833 9.666 0.081 1.00 0.00 C ATOM 327 NH1 ARG A 20 13.265 10.526 0.992 1.00 0.00 N ATOM 328 NH2 ARG A 20 13.687 9.139 -0.785 1.00 0.00 N ATOM 0 H ARG A 20 6.271 7.917 0.261 1.00 0.00 H new ATOM 0 HA ARG A 20 6.311 9.526 2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.600 10.209 2.541 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.576 8.463 2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.344 8.129 0.515 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.667 9.631 -0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.428 10.932 0.779 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.873 9.729 1.974 1.00 0.00 H new ATOM 0 HE ARG A 20 11.250 8.662 -0.677 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.611 10.932 1.661 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.252 10.782 1.024 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.358 8.475 -1.486 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.673 9.397 -0.750 1.00 0.00 H new ATOM 342 N PRO A 21 6.352 11.629 1.088 1.00 0.00 N ATOM 343 CA PRO A 21 6.009 12.709 0.153 1.00 0.00 C ATOM 344 C PRO A 21 7.024 12.843 -0.977 1.00 0.00 C ATOM 345 O PRO A 21 8.199 13.127 -0.742 1.00 0.00 O ATOM 346 CB PRO A 21 6.003 13.966 1.031 1.00 0.00 C ATOM 347 CG PRO A 21 5.832 13.461 2.422 1.00 0.00 C ATOM 348 CD PRO A 21 6.520 12.130 2.463 1.00 0.00 C ATOM 0 HA PRO A 21 5.057 12.525 -0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.932 14.526 0.925 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.192 14.639 0.752 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.270 14.150 3.144 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.776 13.363 2.675 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.572 12.227 2.732 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.065 11.462 3.194 1.00 0.00 H new ATOM 356 N LYS A 22 6.559 12.633 -2.206 1.00 0.00 N ATOM 357 CA LYS A 22 7.417 12.725 -3.382 1.00 0.00 C ATOM 358 C LYS A 22 7.746 14.178 -3.708 1.00 0.00 C ATOM 359 O LYS A 22 8.846 14.487 -4.166 1.00 0.00 O ATOM 360 CB LYS A 22 6.735 12.065 -4.582 1.00 0.00 C ATOM 361 CG LYS A 22 7.684 11.750 -5.728 1.00 0.00 C ATOM 362 CD LYS A 22 7.421 12.644 -6.930 1.00 0.00 C ATOM 363 CE LYS A 22 6.604 11.924 -7.992 1.00 0.00 C ATOM 364 NZ LYS A 22 5.673 12.847 -8.698 1.00 0.00 N ATOM 0 H LYS A 22 5.588 12.397 -2.413 1.00 0.00 H new ATOM 0 HA LYS A 22 8.349 12.203 -3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.256 11.142 -4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.945 12.722 -4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.714 11.879 -5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.572 10.705 -6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.892 13.541 -6.609 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.370 12.969 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.276 11.463 -8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.034 11.119 -7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.135 12.317 -9.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.015 13.268 -8.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.218 13.601 -9.163 1.00 0.00 H new ATOM 378 N ASN A 23 6.786 15.065 -3.465 1.00 0.00 N ATOM 379 CA ASN A 23 6.975 16.487 -3.731 1.00 0.00 C ATOM 380 C ASN A 23 7.533 17.191 -2.501 1.00 0.00 C ATOM 381 O ASN A 23 8.327 18.125 -2.612 1.00 0.00 O ATOM 382 CB ASN A 23 5.651 17.131 -4.148 1.00 0.00 C ATOM 383 CG ASN A 23 5.806 18.063 -5.334 1.00 0.00 C ATOM 384 OD1 ASN A 23 5.809 19.284 -5.182 1.00 0.00 O ATOM 385 ND2 ASN A 23 5.933 17.490 -6.526 1.00 0.00 N ATOM 0 H ASN A 23 5.871 14.825 -3.085 1.00 0.00 H new ATOM 0 HA ASN A 23 7.690 16.591 -4.547 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.933 16.349 -4.396 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.240 17.686 -3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.038 18.067 -7.361 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.925 16.473 -6.607 1.00 0.00 H new ATOM 392 N SER A 24 7.113 16.729 -1.328 1.00 0.00 N ATOM 393 CA SER A 24 7.568 17.304 -0.070 1.00 0.00 C ATOM 394 C SER A 24 8.687 16.459 0.533 1.00 0.00 C ATOM 395 O SER A 24 9.214 15.557 -0.117 1.00 0.00 O ATOM 396 CB SER A 24 6.400 17.410 0.911 1.00 0.00 C ATOM 397 OG SER A 24 5.243 16.774 0.398 1.00 0.00 O ATOM 0 H SER A 24 6.456 15.956 -1.224 1.00 0.00 H new ATOM 0 HA SER A 24 7.958 18.303 -0.266 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.677 16.955 1.862 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.183 18.459 1.111 1.00 0.00 H new ATOM 0 HG SER A 24 4.615 16.598 1.129 1.00 0.00 H new ATOM 403 N VAL A 25 9.045 16.756 1.778 1.00 0.00 N ATOM 404 CA VAL A 25 10.100 16.021 2.464 1.00 0.00 C ATOM 405 C VAL A 25 9.596 15.438 3.780 1.00 0.00 C ATOM 406 O VAL A 25 8.507 15.778 4.242 1.00 0.00 O ATOM 407 CB VAL A 25 11.322 16.916 2.744 1.00 0.00 C ATOM 408 CG1 VAL A 25 12.050 17.243 1.450 1.00 0.00 C ATOM 409 CG2 VAL A 25 10.900 18.189 3.464 1.00 0.00 C ATOM 0 H VAL A 25 8.620 17.500 2.332 1.00 0.00 H new ATOM 0 HA VAL A 25 10.401 15.210 1.802 1.00 0.00 H new ATOM 0 HB VAL A 25 12.008 16.371 3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.911 17.876 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.388 16.320 0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.374 17.768 0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.777 18.808 3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.193 18.741 2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.427 17.931 4.412 1.00 0.00 H new ATOM 419 N GLY A 26 10.393 14.558 4.377 1.00 0.00 N ATOM 420 CA GLY A 26 10.007 13.941 5.633 1.00 0.00 C ATOM 421 C GLY A 26 10.511 12.517 5.760 1.00 0.00 C ATOM 422 O GLY A 26 11.370 12.085 4.992 1.00 0.00 O ATOM 0 H GLY A 26 11.299 14.261 4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.395 14.535 6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.920 13.947 5.718 1.00 0.00 H new ATOM 426 N ARG A 27 9.974 11.786 6.732 1.00 0.00 N ATOM 427 CA ARG A 27 10.373 10.402 6.959 1.00 0.00 C ATOM 428 C ARG A 27 9.400 9.437 6.288 1.00 0.00 C ATOM 429 O ARG A 27 8.265 9.799 5.977 1.00 0.00 O ATOM 430 CB ARG A 27 10.446 10.112 8.458 1.00 0.00 C ATOM 431 CG ARG A 27 11.854 9.831 8.956 1.00 0.00 C ATOM 432 CD ARG A 27 12.387 8.514 8.413 1.00 0.00 C ATOM 433 NE ARG A 27 11.517 7.391 8.748 1.00 0.00 N ATOM 434 CZ ARG A 27 11.866 6.117 8.596 1.00 0.00 C ATOM 435 NH1 ARG A 27 13.062 5.807 8.113 1.00 0.00 N ATOM 436 NH2 ARG A 27 11.019 5.152 8.926 1.00 0.00 N ATOM 0 H ARG A 27 9.261 12.130 7.375 1.00 0.00 H new ATOM 0 HA ARG A 27 11.360 10.257 6.519 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.040 10.963 9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.812 9.255 8.685 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.516 10.643 8.656 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.857 9.804 10.046 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.488 8.583 7.330 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.384 8.333 8.816 1.00 0.00 H new ATOM 0 HE ARG A 27 10.589 7.595 9.120 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.716 6.547 7.857 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.327 4.829 7.997 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.098 5.386 9.297 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.288 4.175 8.809 1.00 0.00 H new ATOM 450 N TRP A 28 9.854 8.206 6.071 1.00 0.00 N ATOM 451 CA TRP A 28 9.027 7.184 5.440 1.00 0.00 C ATOM 452 C TRP A 28 7.977 6.661 6.414 1.00 0.00 C ATOM 453 O TRP A 28 7.912 7.097 7.563 1.00 0.00 O ATOM 454 CB TRP A 28 9.900 6.024 4.952 1.00 0.00 C ATOM 455 CG TRP A 28 10.629 6.322 3.678 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.763 7.070 3.537 1.00 0.00 C ATOM 457 CD2 TRP A 28 10.277 5.876 2.363 1.00 0.00 C ATOM 458 NE1 TRP A 28 12.134 7.119 2.215 1.00 0.00 N ATOM 459 CE2 TRP A 28 11.238 6.393 1.475 1.00 0.00 C ATOM 460 CE3 TRP A 28 9.240 5.090 1.851 1.00 0.00 C ATOM 461 CZ2 TRP A 28 11.194 6.149 0.105 1.00 0.00 C ATOM 462 CZ3 TRP A 28 9.198 4.848 0.492 1.00 0.00 C ATOM 463 CH2 TRP A 28 10.169 5.376 -0.368 1.00 0.00 C ATOM 0 H TRP A 28 10.791 7.892 6.323 1.00 0.00 H new ATOM 0 HA TRP A 28 8.519 7.636 4.588 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.625 5.774 5.727 1.00 0.00 H new ATOM 0 HB3 TRP A 28 9.273 5.144 4.806 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.291 7.552 4.346 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.945 7.615 1.845 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.486 4.680 2.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.942 6.555 -0.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 8.403 4.241 0.085 1.00 0.00 H new ATOM 0 HH2 TRP A 28 10.107 5.169 -1.426 1.00 0.00 H new ATOM 474 N LYS A 29 7.160 5.719 5.950 1.00 0.00 N ATOM 475 CA LYS A 29 6.120 5.132 6.784 1.00 0.00 C ATOM 476 C LYS A 29 5.921 3.668 6.419 1.00 0.00 C ATOM 477 O LYS A 29 5.735 3.339 5.251 1.00 0.00 O ATOM 478 CB LYS A 29 4.806 5.899 6.624 1.00 0.00 C ATOM 479 CG LYS A 29 4.695 7.112 7.534 1.00 0.00 C ATOM 480 CD LYS A 29 3.508 6.994 8.477 1.00 0.00 C ATOM 481 CE LYS A 29 3.891 6.300 9.775 1.00 0.00 C ATOM 482 NZ LYS A 29 5.082 6.927 10.412 1.00 0.00 N ATOM 0 H LYS A 29 7.200 5.347 5.001 1.00 0.00 H new ATOM 0 HA LYS A 29 6.433 5.197 7.826 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.708 6.222 5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.974 5.225 6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.612 7.219 8.113 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.593 8.013 6.930 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.117 7.987 8.697 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.708 6.437 7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.049 6.335 10.467 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.097 5.248 9.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.040 6.785 11.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.947 6.488 10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.092 7.946 10.203 1.00 0.00 H new ATOM 496 N GLU A 30 5.976 2.792 7.416 1.00 0.00 N ATOM 497 CA GLU A 30 5.816 1.361 7.175 1.00 0.00 C ATOM 498 C GLU A 30 4.629 0.784 7.940 1.00 0.00 C ATOM 499 O GLU A 30 4.447 1.052 9.128 1.00 0.00 O ATOM 500 CB GLU A 30 7.093 0.609 7.563 1.00 0.00 C ATOM 501 CG GLU A 30 8.163 1.488 8.188 1.00 0.00 C ATOM 502 CD GLU A 30 9.288 0.683 8.811 1.00 0.00 C ATOM 503 OE1 GLU A 30 9.547 -0.442 8.335 1.00 0.00 O ATOM 504 OE2 GLU A 30 9.907 1.178 9.776 1.00 0.00 O ATOM 0 H GLU A 30 6.129 3.044 8.392 1.00 0.00 H new ATOM 0 HA GLU A 30 5.625 1.232 6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.836 -0.186 8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.504 0.130 6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.574 2.151 7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.709 2.121 8.950 1.00 0.00 H new ATOM 511 N ALA A 31 3.836 -0.023 7.243 1.00 0.00 N ATOM 512 CA ALA A 31 2.669 -0.666 7.835 1.00 0.00 C ATOM 513 C ALA A 31 2.534 -2.094 7.315 1.00 0.00 C ATOM 514 O ALA A 31 2.645 -2.334 6.113 1.00 0.00 O ATOM 515 CB ALA A 31 1.411 0.133 7.533 1.00 0.00 C ATOM 0 H ALA A 31 3.983 -0.248 6.259 1.00 0.00 H new ATOM 0 HA ALA A 31 2.801 -0.701 8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.550 -0.361 7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.510 1.137 7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.271 0.197 6.454 1.00 0.00 H new ATOM 521 N THR A 32 2.303 -3.041 8.220 1.00 0.00 N ATOM 522 CA THR A 32 2.169 -4.439 7.827 1.00 0.00 C ATOM 523 C THR A 32 0.743 -4.772 7.409 1.00 0.00 C ATOM 524 O THR A 32 -0.218 -4.446 8.106 1.00 0.00 O ATOM 525 CB THR A 32 2.593 -5.399 8.955 1.00 0.00 C ATOM 526 OG1 THR A 32 3.896 -5.049 9.436 1.00 0.00 O ATOM 527 CG2 THR A 32 2.599 -6.841 8.462 1.00 0.00 C ATOM 0 H THR A 32 2.206 -2.868 9.220 1.00 0.00 H new ATOM 0 HA THR A 32 2.836 -4.576 6.976 1.00 0.00 H new ATOM 0 HB THR A 32 1.872 -5.310 9.768 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.156 -5.664 10.154 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.901 -7.502 9.274 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.599 -7.114 8.125 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.301 -6.939 7.634 1.00 0.00 H new ATOM 535 N ILE A 33 0.623 -5.438 6.267 1.00 0.00 N ATOM 536 CA ILE A 33 -0.670 -5.842 5.739 1.00 0.00 C ATOM 537 C ILE A 33 -0.659 -7.336 5.417 1.00 0.00 C ATOM 538 O ILE A 33 0.134 -7.790 4.595 1.00 0.00 O ATOM 539 CB ILE A 33 -1.037 -5.048 4.470 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.846 -3.549 4.706 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.470 -5.344 4.054 1.00 0.00 C ATOM 542 CD1 ILE A 33 0.192 -2.921 3.802 1.00 0.00 C ATOM 0 H ILE A 33 1.415 -5.711 5.685 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.419 -5.632 6.502 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.373 -5.358 3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.799 -3.042 4.558 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.557 -3.387 5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.713 -4.775 3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.577 -6.409 3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.148 -5.060 4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.274 -1.857 4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.156 -3.402 3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.105 -3.051 2.761 1.00 0.00 H new ATOM 554 N PRO A 34 -1.524 -8.121 6.084 1.00 0.00 N ATOM 555 CA PRO A 34 -1.600 -9.578 5.884 1.00 0.00 C ATOM 556 C PRO A 34 -1.858 -9.979 4.437 1.00 0.00 C ATOM 557 O PRO A 34 -2.983 -10.324 4.076 1.00 0.00 O ATOM 558 CB PRO A 34 -2.789 -9.988 6.745 1.00 0.00 C ATOM 559 CG PRO A 34 -2.878 -8.937 7.793 1.00 0.00 C ATOM 560 CD PRO A 34 -2.482 -7.662 7.108 1.00 0.00 C ATOM 0 HA PRO A 34 -0.657 -10.058 6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.705 -10.039 6.156 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.638 -10.974 7.185 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.888 -8.869 8.198 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.214 -9.157 8.629 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.340 -7.160 6.662 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.025 -6.956 7.801 1.00 0.00 H new ATOM 568 N GLY A 35 -0.815 -9.937 3.613 1.00 0.00 N ATOM 569 CA GLY A 35 -0.960 -10.303 2.216 1.00 0.00 C ATOM 570 C GLY A 35 -2.084 -9.546 1.538 1.00 0.00 C ATOM 571 O GLY A 35 -2.476 -9.880 0.419 1.00 0.00 O ATOM 0 H GLY A 35 0.126 -9.656 3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.025 -10.107 1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.149 -11.374 2.141 1.00 0.00 H new ATOM 575 N HIS A 36 -2.611 -8.534 2.233 1.00 0.00 N ATOM 576 CA HIS A 36 -3.711 -7.722 1.718 1.00 0.00 C ATOM 577 C HIS A 36 -5.020 -8.498 1.787 1.00 0.00 C ATOM 578 O HIS A 36 -5.263 -9.399 0.985 1.00 0.00 O ATOM 579 CB HIS A 36 -3.435 -7.274 0.276 1.00 0.00 C ATOM 580 CG HIS A 36 -3.957 -5.907 -0.044 1.00 0.00 C ATOM 581 ND1 HIS A 36 -3.396 -5.144 -1.039 1.00 0.00 N ATOM 582 CD2 HIS A 36 -4.980 -5.218 0.519 1.00 0.00 C ATOM 583 CE1 HIS A 36 -4.085 -4.019 -1.063 1.00 0.00 C ATOM 584 NE2 HIS A 36 -5.055 -4.016 -0.137 1.00 0.00 N ATOM 0 H HIS A 36 -2.289 -8.258 3.161 1.00 0.00 H new ATOM 0 HA HIS A 36 -3.795 -6.832 2.341 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.360 -7.292 0.100 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.883 -7.993 -0.410 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.613 -5.551 1.328 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.892 -3.203 -1.743 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -5.720 -3.265 0.044 1.00 0.00 H new ATOM 592 N LEU A 37 -5.852 -8.149 2.762 1.00 0.00 N ATOM 593 CA LEU A 37 -7.132 -8.819 2.955 1.00 0.00 C ATOM 594 C LEU A 37 -8.066 -8.559 1.782 1.00 0.00 C ATOM 595 O LEU A 37 -8.844 -9.432 1.394 1.00 0.00 O ATOM 596 CB LEU A 37 -7.798 -8.319 4.238 1.00 0.00 C ATOM 597 CG LEU A 37 -7.158 -8.782 5.547 1.00 0.00 C ATOM 598 CD1 LEU A 37 -5.782 -8.158 5.730 1.00 0.00 C ATOM 599 CD2 LEU A 37 -8.064 -8.430 6.716 1.00 0.00 C ATOM 0 H LEU A 37 -5.662 -7.404 3.432 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.941 -9.890 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.800 -7.229 4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.840 -8.639 4.232 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.031 -9.864 5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.348 -8.503 6.668 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.137 -8.451 4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.875 -7.072 5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.603 -8.762 7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.212 -7.351 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.027 -8.925 6.591 1.00 0.00 H new ATOM 611 N ASN A 38 -7.977 -7.351 1.226 1.00 0.00 N ATOM 612 CA ASN A 38 -8.807 -6.943 0.095 1.00 0.00 C ATOM 613 C ASN A 38 -8.712 -5.434 -0.117 1.00 0.00 C ATOM 614 O ASN A 38 -8.241 -4.973 -1.157 1.00 0.00 O ATOM 615 CB ASN A 38 -10.272 -7.344 0.323 1.00 0.00 C ATOM 616 CG ASN A 38 -11.257 -6.321 -0.207 1.00 0.00 C ATOM 617 OD1 ASN A 38 -11.309 -6.053 -1.409 1.00 0.00 O ATOM 618 ND2 ASN A 38 -12.047 -5.742 0.691 1.00 0.00 N ATOM 0 H ASN A 38 -7.330 -6.631 1.546 1.00 0.00 H new ATOM 0 HA ASN A 38 -8.439 -7.452 -0.796 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.459 -8.304 -0.159 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.442 -7.485 1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.731 -5.045 0.395 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.970 -5.994 1.676 1.00 0.00 H new ATOM 625 N SER A 39 -9.166 -4.673 0.876 1.00 0.00 N ATOM 626 CA SER A 39 -9.138 -3.217 0.794 1.00 0.00 C ATOM 627 C SER A 39 -8.464 -2.600 2.018 1.00 0.00 C ATOM 628 O SER A 39 -8.957 -2.724 3.138 1.00 0.00 O ATOM 629 CB SER A 39 -10.559 -2.669 0.652 1.00 0.00 C ATOM 630 OG SER A 39 -10.637 -1.714 -0.392 1.00 0.00 O ATOM 0 H SER A 39 -9.556 -5.040 1.744 1.00 0.00 H new ATOM 0 HA SER A 39 -8.555 -2.945 -0.086 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.249 -3.488 0.452 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.871 -2.212 1.591 1.00 0.00 H new ATOM 0 HG SER A 39 -11.556 -1.381 -0.463 1.00 0.00 H new ATOM 636 N TYR A 40 -7.340 -1.924 1.792 1.00 0.00 N ATOM 637 CA TYR A 40 -6.605 -1.274 2.874 1.00 0.00 C ATOM 638 C TYR A 40 -6.335 0.188 2.530 1.00 0.00 C ATOM 639 O TYR A 40 -5.536 0.489 1.643 1.00 0.00 O ATOM 640 CB TYR A 40 -5.288 -2.006 3.147 1.00 0.00 C ATOM 641 CG TYR A 40 -4.588 -1.547 4.410 1.00 0.00 C ATOM 642 CD1 TYR A 40 -3.732 -0.453 4.393 1.00 0.00 C ATOM 643 CD2 TYR A 40 -4.785 -2.209 5.616 1.00 0.00 C ATOM 644 CE1 TYR A 40 -3.092 -0.031 5.542 1.00 0.00 C ATOM 645 CE2 TYR A 40 -4.148 -1.791 6.770 1.00 0.00 C ATOM 646 CZ TYR A 40 -3.303 -0.703 6.728 1.00 0.00 C ATOM 647 OH TYR A 40 -2.668 -0.286 7.875 1.00 0.00 O ATOM 0 H TYR A 40 -6.919 -1.812 0.870 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.216 -1.314 3.776 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.485 -3.076 3.219 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.619 -1.862 2.298 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.564 0.076 3.467 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.445 -3.063 5.652 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.429 0.821 5.512 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.312 -2.315 7.700 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.926 -0.866 8.621 1.00 0.00 H new ATOM 657 N THR A 41 -7.014 1.094 3.230 1.00 0.00 N ATOM 658 CA THR A 41 -6.853 2.524 2.990 1.00 0.00 C ATOM 659 C THR A 41 -6.282 3.237 4.212 1.00 0.00 C ATOM 660 O THR A 41 -6.571 2.869 5.351 1.00 0.00 O ATOM 661 CB THR A 41 -8.194 3.182 2.614 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.923 2.335 1.717 1.00 0.00 O ATOM 663 CG2 THR A 41 -7.969 4.540 1.966 1.00 0.00 C ATOM 0 H THR A 41 -7.680 0.862 3.967 1.00 0.00 H new ATOM 0 HA THR A 41 -6.154 2.623 2.159 1.00 0.00 H new ATOM 0 HB THR A 41 -8.771 3.324 3.528 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.775 2.761 1.485 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.931 4.985 1.710 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.442 5.192 2.662 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.373 4.417 1.061 1.00 0.00 H new ATOM 671 N ILE A 42 -5.477 4.267 3.963 1.00 0.00 N ATOM 672 CA ILE A 42 -4.870 5.044 5.039 1.00 0.00 C ATOM 673 C ILE A 42 -5.698 6.293 5.332 1.00 0.00 C ATOM 674 O ILE A 42 -6.121 6.995 4.414 1.00 0.00 O ATOM 675 CB ILE A 42 -3.430 5.466 4.689 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.633 4.263 4.181 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.749 6.084 5.900 1.00 0.00 C ATOM 678 CD1 ILE A 42 -2.025 4.475 2.811 1.00 0.00 C ATOM 0 H ILE A 42 -5.230 4.583 3.025 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.843 4.405 5.922 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.469 6.214 3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.838 4.038 4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.287 3.392 4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.733 6.377 5.636 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.307 6.963 6.222 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.718 5.356 6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.475 3.582 2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.817 4.670 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.345 5.326 2.843 1.00 0.00 H new ATOM 690 N LYS A 43 -5.930 6.565 6.614 1.00 0.00 N ATOM 691 CA LYS A 43 -6.714 7.730 7.015 1.00 0.00 C ATOM 692 C LYS A 43 -5.830 8.798 7.651 1.00 0.00 C ATOM 693 O LYS A 43 -4.650 8.565 7.917 1.00 0.00 O ATOM 694 CB LYS A 43 -7.819 7.318 7.990 1.00 0.00 C ATOM 695 CG LYS A 43 -9.014 6.668 7.311 1.00 0.00 C ATOM 696 CD LYS A 43 -10.258 7.536 7.418 1.00 0.00 C ATOM 697 CE LYS A 43 -10.182 8.737 6.490 1.00 0.00 C ATOM 698 NZ LYS A 43 -11.190 9.775 6.844 1.00 0.00 N ATOM 0 H LYS A 43 -5.588 5.997 7.390 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.168 8.152 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.406 6.625 8.723 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.156 8.198 8.538 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.784 6.489 6.261 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.207 5.696 7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.139 6.942 7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.378 7.877 8.446 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.183 9.170 6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.341 8.412 5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.106 10.578 6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.145 9.369 6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.023 10.103 7.817 1.00 0.00 H new ATOM 712 N GLY A 44 -6.409 9.974 7.887 1.00 0.00 N ATOM 713 CA GLY A 44 -5.664 11.067 8.486 1.00 0.00 C ATOM 714 C GLY A 44 -4.886 11.864 7.457 1.00 0.00 C ATOM 715 O GLY A 44 -3.701 12.143 7.645 1.00 0.00 O ATOM 0 H GLY A 44 -7.383 10.188 7.673 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.353 11.729 9.010 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.975 10.669 9.231 1.00 0.00 H new ATOM 719 N LEU A 45 -5.553 12.227 6.364 1.00 0.00 N ATOM 720 CA LEU A 45 -4.916 12.993 5.295 1.00 0.00 C ATOM 721 C LEU A 45 -5.881 14.032 4.722 1.00 0.00 C ATOM 722 O LEU A 45 -6.947 14.279 5.289 1.00 0.00 O ATOM 723 CB LEU A 45 -4.426 12.053 4.189 1.00 0.00 C ATOM 724 CG LEU A 45 -4.430 10.565 4.551 1.00 0.00 C ATOM 725 CD1 LEU A 45 -4.861 9.726 3.360 1.00 0.00 C ATOM 726 CD2 LEU A 45 -3.056 10.132 5.038 1.00 0.00 C ATOM 0 H LEU A 45 -6.534 12.003 6.195 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.058 13.519 5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.050 12.198 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.412 12.341 3.912 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.147 10.410 5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.857 8.672 3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.866 10.017 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.169 9.886 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.077 9.072 5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.321 10.303 4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.784 10.710 5.921 1.00 0.00 H new ATOM 738 N LYS A 46 -5.501 14.644 3.601 1.00 0.00 N ATOM 739 CA LYS A 46 -6.334 15.662 2.962 1.00 0.00 C ATOM 740 C LYS A 46 -5.961 15.843 1.488 1.00 0.00 C ATOM 741 O LYS A 46 -4.800 15.713 1.115 1.00 0.00 O ATOM 742 CB LYS A 46 -6.198 16.997 3.699 1.00 0.00 C ATOM 743 CG LYS A 46 -4.842 17.197 4.356 1.00 0.00 C ATOM 744 CD LYS A 46 -3.894 17.971 3.454 1.00 0.00 C ATOM 745 CE LYS A 46 -3.846 19.442 3.830 1.00 0.00 C ATOM 746 NZ LYS A 46 -3.930 20.324 2.632 1.00 0.00 N ATOM 0 H LYS A 46 -4.623 14.453 3.117 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.369 15.325 3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.374 17.810 2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.974 17.062 4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.968 17.732 5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.406 16.227 4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.894 17.544 3.523 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.213 17.870 2.417 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.669 19.671 4.508 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.922 19.649 4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.894 21.320 2.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.131 20.124 1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.824 20.145 2.131 1.00 0.00 H new ATOM 760 N PRO A 47 -6.945 16.150 0.624 1.00 0.00 N ATOM 761 CA PRO A 47 -6.695 16.346 -0.811 1.00 0.00 C ATOM 762 C PRO A 47 -5.819 17.563 -1.093 1.00 0.00 C ATOM 763 O PRO A 47 -6.154 18.684 -0.709 1.00 0.00 O ATOM 764 CB PRO A 47 -8.096 16.545 -1.398 1.00 0.00 C ATOM 765 CG PRO A 47 -8.934 17.001 -0.253 1.00 0.00 C ATOM 766 CD PRO A 47 -8.367 16.332 0.968 1.00 0.00 C ATOM 0 HA PRO A 47 -6.154 15.504 -1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.087 17.284 -2.199 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.481 15.618 -1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.902 18.086 -0.154 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.978 16.725 -0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.490 16.949 1.858 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.857 15.380 1.169 1.00 0.00 H new ATOM 774 N GLY A 48 -4.697 17.334 -1.776 1.00 0.00 N ATOM 775 CA GLY A 48 -3.794 18.424 -2.108 1.00 0.00 C ATOM 776 C GLY A 48 -2.346 18.135 -1.746 1.00 0.00 C ATOM 777 O GLY A 48 -1.501 19.028 -1.805 1.00 0.00 O ATOM 0 H GLY A 48 -4.399 16.415 -2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.860 18.629 -3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.118 19.326 -1.589 1.00 0.00 H new ATOM 781 N VAL A 49 -2.056 16.892 -1.370 1.00 0.00 N ATOM 782 CA VAL A 49 -0.696 16.505 -1.001 1.00 0.00 C ATOM 783 C VAL A 49 -0.154 15.425 -1.929 1.00 0.00 C ATOM 784 O VAL A 49 -0.800 14.402 -2.148 1.00 0.00 O ATOM 785 CB VAL A 49 -0.628 15.977 0.447 1.00 0.00 C ATOM 786 CG1 VAL A 49 0.783 15.506 0.783 1.00 0.00 C ATOM 787 CG2 VAL A 49 -1.093 17.038 1.432 1.00 0.00 C ATOM 0 H VAL A 49 -2.741 16.138 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.088 17.405 -1.089 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.300 15.123 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.809 15.138 1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.071 14.705 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.479 16.338 0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.036 16.643 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.454 17.917 1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.123 17.316 1.208 1.00 0.00 H new ATOM 797 N VAL A 50 1.051 15.645 -2.447 1.00 0.00 N ATOM 798 CA VAL A 50 1.683 14.665 -3.319 1.00 0.00 C ATOM 799 C VAL A 50 2.363 13.601 -2.474 1.00 0.00 C ATOM 800 O VAL A 50 2.867 13.892 -1.389 1.00 0.00 O ATOM 801 CB VAL A 50 2.721 15.307 -4.258 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.140 14.324 -5.343 1.00 0.00 C ATOM 803 CG2 VAL A 50 2.169 16.588 -4.864 1.00 0.00 C ATOM 0 H VAL A 50 1.604 16.486 -2.279 1.00 0.00 H new ATOM 0 HA VAL A 50 0.902 14.223 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 50 3.606 15.563 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.874 14.795 -5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.579 13.439 -4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.267 14.033 -5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.915 17.029 -5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.268 16.362 -5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.928 17.293 -4.068 1.00 0.00 H new ATOM 813 N TYR A 51 2.358 12.367 -2.954 1.00 0.00 N ATOM 814 CA TYR A 51 2.960 11.276 -2.205 1.00 0.00 C ATOM 815 C TYR A 51 3.610 10.247 -3.115 1.00 0.00 C ATOM 816 O TYR A 51 3.354 10.197 -4.319 1.00 0.00 O ATOM 817 CB TYR A 51 1.895 10.574 -1.364 1.00 0.00 C ATOM 818 CG TYR A 51 2.078 10.706 0.132 1.00 0.00 C ATOM 819 CD1 TYR A 51 3.314 10.531 0.738 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.995 10.999 0.936 1.00 0.00 C ATOM 821 CE1 TYR A 51 3.457 10.646 2.110 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.122 11.119 2.305 1.00 0.00 C ATOM 823 CZ TYR A 51 2.357 10.941 2.889 1.00 0.00 C ATOM 824 OH TYR A 51 2.494 11.058 4.254 1.00 0.00 O ATOM 0 H TYR A 51 1.949 12.098 -3.849 1.00 0.00 H new ATOM 0 HA TYR A 51 3.731 11.712 -1.569 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.918 10.975 -1.633 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.888 9.515 -1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.177 10.302 0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.025 11.138 0.483 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.425 10.506 2.568 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.260 11.351 2.913 1.00 0.00 H new ATOM 0 HH TYR A 51 1.624 11.270 4.653 1.00 0.00 H new ATOM 834 N GLU A 52 4.414 9.396 -2.499 1.00 0.00 N ATOM 835 CA GLU A 52 5.083 8.307 -3.191 1.00 0.00 C ATOM 836 C GLU A 52 4.898 7.049 -2.360 1.00 0.00 C ATOM 837 O GLU A 52 5.160 7.064 -1.161 1.00 0.00 O ATOM 838 CB GLU A 52 6.574 8.616 -3.383 1.00 0.00 C ATOM 839 CG GLU A 52 7.458 7.379 -3.446 1.00 0.00 C ATOM 840 CD GLU A 52 7.336 6.641 -4.765 1.00 0.00 C ATOM 841 OE1 GLU A 52 7.425 7.297 -5.824 1.00 0.00 O ATOM 842 OE2 GLU A 52 7.153 5.404 -4.740 1.00 0.00 O ATOM 0 H GLU A 52 4.622 9.441 -1.501 1.00 0.00 H new ATOM 0 HA GLU A 52 4.653 8.172 -4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.701 9.188 -4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.912 9.250 -2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.497 7.671 -3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.192 6.705 -2.631 1.00 0.00 H new ATOM 849 N GLY A 53 4.432 5.972 -2.976 1.00 0.00 N ATOM 850 CA GLY A 53 4.208 4.751 -2.226 1.00 0.00 C ATOM 851 C GLY A 53 4.707 3.511 -2.930 1.00 0.00 C ATOM 852 O GLY A 53 4.553 3.366 -4.140 1.00 0.00 O ATOM 0 H GLY A 53 4.207 5.920 -3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.702 4.833 -1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.141 4.644 -2.031 1.00 0.00 H new ATOM 856 N GLN A 54 5.298 2.609 -2.157 1.00 0.00 N ATOM 857 CA GLN A 54 5.817 1.359 -2.699 1.00 0.00 C ATOM 858 C GLN A 54 5.394 0.178 -1.833 1.00 0.00 C ATOM 859 O GLN A 54 5.535 0.211 -0.610 1.00 0.00 O ATOM 860 CB GLN A 54 7.344 1.405 -2.815 1.00 0.00 C ATOM 861 CG GLN A 54 7.997 2.473 -1.955 1.00 0.00 C ATOM 862 CD GLN A 54 9.488 2.584 -2.204 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.274 1.775 -1.710 1.00 0.00 O ATOM 864 NE2 GLN A 54 9.886 3.590 -2.973 1.00 0.00 N ATOM 0 H GLN A 54 5.430 2.719 -1.152 1.00 0.00 H new ATOM 0 HA GLN A 54 5.398 1.229 -3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.749 0.432 -2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.614 1.577 -3.857 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.525 3.435 -2.155 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.823 2.245 -0.903 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.200 4.237 -3.362 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.878 3.716 -3.175 1.00 0.00 H new ATOM 873 N LEU A 55 4.878 -0.863 -2.474 1.00 0.00 N ATOM 874 CA LEU A 55 4.439 -2.057 -1.764 1.00 0.00 C ATOM 875 C LEU A 55 5.498 -3.150 -1.854 1.00 0.00 C ATOM 876 O LEU A 55 5.725 -3.719 -2.922 1.00 0.00 O ATOM 877 CB LEU A 55 3.117 -2.565 -2.343 1.00 0.00 C ATOM 878 CG LEU A 55 1.858 -2.000 -1.684 1.00 0.00 C ATOM 879 CD1 LEU A 55 0.677 -2.075 -2.638 1.00 0.00 C ATOM 880 CD2 LEU A 55 1.550 -2.746 -0.394 1.00 0.00 C ATOM 0 H LEU A 55 4.753 -0.904 -3.485 1.00 0.00 H new ATOM 0 HA LEU A 55 4.290 -1.797 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.089 -2.327 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.096 -3.652 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 55 2.038 -0.953 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.210 -1.669 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.897 -1.496 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.496 -3.114 -2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.651 -2.330 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.391 -3.802 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.387 -2.641 0.296 1.00 0.00 H new ATOM 892 N ILE A 56 6.147 -3.435 -0.730 1.00 0.00 N ATOM 893 CA ILE A 56 7.186 -4.455 -0.691 1.00 0.00 C ATOM 894 C ILE A 56 6.715 -5.698 0.053 1.00 0.00 C ATOM 895 O ILE A 56 6.454 -5.653 1.254 1.00 0.00 O ATOM 896 CB ILE A 56 8.477 -3.927 -0.031 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.152 -2.892 -0.935 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.434 -5.075 0.260 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.491 -1.531 -0.907 1.00 0.00 C ATOM 0 H ILE A 56 5.972 -2.975 0.163 1.00 0.00 H new ATOM 0 HA ILE A 56 7.402 -4.719 -1.726 1.00 0.00 H new ATOM 0 HB ILE A 56 8.212 -3.448 0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.194 -2.785 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.153 -3.264 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.339 -4.685 0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.956 -5.785 0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.693 -5.578 -0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.026 -0.853 -1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.456 -1.622 -1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.514 -1.136 0.109 1.00 0.00 H new ATOM 911 N SER A 57 6.618 -6.810 -0.669 1.00 0.00 N ATOM 912 CA SER A 57 6.190 -8.068 -0.075 1.00 0.00 C ATOM 913 C SER A 57 7.387 -8.834 0.466 1.00 0.00 C ATOM 914 O SER A 57 8.323 -9.149 -0.269 1.00 0.00 O ATOM 915 CB SER A 57 5.439 -8.918 -1.097 1.00 0.00 C ATOM 916 OG SER A 57 6.265 -9.939 -1.627 1.00 0.00 O ATOM 0 H SER A 57 6.830 -6.864 -1.665 1.00 0.00 H new ATOM 0 HA SER A 57 5.515 -7.843 0.751 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.562 -9.364 -0.627 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.079 -8.283 -1.906 1.00 0.00 H new ATOM 0 HG SER A 57 5.747 -10.487 -2.253 1.00 0.00 H new ATOM 922 N ILE A 58 7.351 -9.123 1.757 1.00 0.00 N ATOM 923 CA ILE A 58 8.435 -9.843 2.406 1.00 0.00 C ATOM 924 C ILE A 58 7.988 -11.220 2.876 1.00 0.00 C ATOM 925 O ILE A 58 7.157 -11.344 3.779 1.00 0.00 O ATOM 926 CB ILE A 58 8.995 -9.054 3.602 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.142 -7.573 3.218 1.00 0.00 C ATOM 928 CG2 ILE A 58 10.319 -9.662 4.052 1.00 0.00 C ATOM 929 CD1 ILE A 58 10.236 -6.827 3.960 1.00 0.00 C ATOM 0 H ILE A 58 6.582 -8.870 2.377 1.00 0.00 H new ATOM 0 HA ILE A 58 9.221 -9.963 1.661 1.00 0.00 H new ATOM 0 HB ILE A 58 8.305 -9.114 4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.339 -7.508 2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.192 -7.070 3.398 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.709 -9.098 4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.161 -10.699 4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.035 -9.624 3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.263 -5.791 3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 58 10.033 -6.854 5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.198 -7.299 3.761 1.00 0.00 H new ATOM 941 N GLN A 59 8.550 -12.252 2.257 1.00 0.00 N ATOM 942 CA GLN A 59 8.223 -13.627 2.605 1.00 0.00 C ATOM 943 C GLN A 59 9.143 -14.133 3.710 1.00 0.00 C ATOM 944 O GLN A 59 9.969 -13.384 4.232 1.00 0.00 O ATOM 945 CB GLN A 59 8.333 -14.529 1.374 1.00 0.00 C ATOM 946 CG GLN A 59 7.065 -15.313 1.085 1.00 0.00 C ATOM 947 CD GLN A 59 7.272 -16.401 0.049 1.00 0.00 C ATOM 948 OE1 GLN A 59 8.158 -16.305 -0.801 1.00 0.00 O ATOM 949 NE2 GLN A 59 6.452 -17.444 0.114 1.00 0.00 N ATOM 0 H GLN A 59 9.237 -12.160 1.509 1.00 0.00 H new ATOM 0 HA GLN A 59 7.196 -13.653 2.969 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.579 -13.918 0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.158 -15.227 1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.702 -15.762 2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.291 -14.629 0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.732 -17.482 0.835 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.543 -18.207 -0.557 1.00 0.00 H new ATOM 958 N GLN A 60 8.992 -15.403 4.065 1.00 0.00 N ATOM 959 CA GLN A 60 9.807 -16.005 5.114 1.00 0.00 C ATOM 960 C GLN A 60 11.291 -15.975 4.746 1.00 0.00 C ATOM 961 O GLN A 60 12.154 -16.122 5.610 1.00 0.00 O ATOM 962 CB GLN A 60 9.361 -17.448 5.370 1.00 0.00 C ATOM 963 CG GLN A 60 9.780 -18.422 4.280 1.00 0.00 C ATOM 964 CD GLN A 60 8.686 -19.411 3.929 1.00 0.00 C ATOM 965 OE1 GLN A 60 7.946 -19.873 4.798 1.00 0.00 O ATOM 966 NE2 GLN A 60 8.580 -19.744 2.647 1.00 0.00 N ATOM 0 H GLN A 60 8.313 -16.036 3.642 1.00 0.00 H new ATOM 0 HA GLN A 60 9.669 -15.420 6.024 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.774 -17.783 6.322 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.276 -17.471 5.468 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.060 -17.863 3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.666 -18.967 4.606 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.215 -19.337 1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.864 -20.407 2.350 1.00 0.00 H new ATOM 975 N TYR A 61 11.581 -15.788 3.459 1.00 0.00 N ATOM 976 CA TYR A 61 12.963 -15.744 2.991 1.00 0.00 C ATOM 977 C TYR A 61 13.414 -14.309 2.711 1.00 0.00 C ATOM 978 O TYR A 61 14.580 -14.068 2.399 1.00 0.00 O ATOM 979 CB TYR A 61 13.130 -16.612 1.737 1.00 0.00 C ATOM 980 CG TYR A 61 12.907 -15.878 0.434 1.00 0.00 C ATOM 981 CD1 TYR A 61 11.628 -15.544 0.011 1.00 0.00 C ATOM 982 CD2 TYR A 61 13.979 -15.523 -0.374 1.00 0.00 C ATOM 983 CE1 TYR A 61 11.422 -14.877 -1.182 1.00 0.00 C ATOM 984 CE2 TYR A 61 13.783 -14.856 -1.568 1.00 0.00 C ATOM 985 CZ TYR A 61 12.504 -14.535 -1.967 1.00 0.00 C ATOM 986 OH TYR A 61 12.306 -13.872 -3.156 1.00 0.00 O ATOM 0 H TYR A 61 10.881 -15.665 2.727 1.00 0.00 H new ATOM 0 HA TYR A 61 13.596 -16.143 3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 61 14.135 -17.035 1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.432 -17.448 1.793 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.780 -15.810 0.624 1.00 0.00 H new ATOM 0 HD2 TYR A 61 14.983 -15.772 -0.064 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.420 -14.625 -1.498 1.00 0.00 H new ATOM 0 HE2 TYR A 61 14.628 -14.588 -2.185 1.00 0.00 H new ATOM 0 HH TYR A 61 13.171 -13.705 -3.585 1.00 0.00 H new ATOM 996 N GLY A 62 12.488 -13.361 2.832 1.00 0.00 N ATOM 997 CA GLY A 62 12.820 -11.966 2.591 1.00 0.00 C ATOM 998 C GLY A 62 11.974 -11.339 1.500 1.00 0.00 C ATOM 999 O GLY A 62 11.092 -11.990 0.940 1.00 0.00 O ATOM 0 H GLY A 62 11.517 -13.533 3.092 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.690 -11.402 3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.872 -11.890 2.317 1.00 0.00 H new ATOM 1003 N HIS A 63 12.244 -10.070 1.199 1.00 0.00 N ATOM 1004 CA HIS A 63 11.505 -9.344 0.169 1.00 0.00 C ATOM 1005 C HIS A 63 11.506 -10.112 -1.151 1.00 0.00 C ATOM 1006 O HIS A 63 12.333 -10.999 -1.361 1.00 0.00 O ATOM 1007 CB HIS A 63 12.110 -7.953 -0.038 1.00 0.00 C ATOM 1008 CG HIS A 63 13.472 -7.978 -0.664 1.00 0.00 C ATOM 1009 ND1 HIS A 63 13.631 -8.057 -2.025 1.00 0.00 N ATOM 1010 CD2 HIS A 63 14.692 -7.936 -0.075 1.00 0.00 C ATOM 1011 CE1 HIS A 63 14.935 -8.061 -2.237 1.00 0.00 C ATOM 1012 NE2 HIS A 63 15.619 -7.990 -1.085 1.00 0.00 N ATOM 0 H HIS A 63 12.972 -9.522 1.656 1.00 0.00 H new ATOM 0 HA HIS A 63 10.474 -9.240 0.506 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.441 -7.365 -0.666 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.171 -7.446 0.925 1.00 0.00 H new ATOM 0 HD2 HIS A 63 14.895 -7.872 0.984 1.00 0.00 H new ATOM 0 HE1 HIS A 63 15.392 -8.115 -3.214 1.00 0.00 H new ATOM 0 HE2 HIS A 63 16.634 -7.978 -0.980 1.00 0.00 H new ATOM 1020 N GLN A 64 10.573 -9.766 -2.035 1.00 0.00 N ATOM 1021 CA GLN A 64 10.469 -10.430 -3.330 1.00 0.00 C ATOM 1022 C GLN A 64 9.490 -9.706 -4.252 1.00 0.00 C ATOM 1023 O GLN A 64 9.265 -10.130 -5.384 1.00 0.00 O ATOM 1024 CB GLN A 64 10.018 -11.879 -3.142 1.00 0.00 C ATOM 1025 CG GLN A 64 8.806 -12.024 -2.236 1.00 0.00 C ATOM 1026 CD GLN A 64 7.779 -12.993 -2.787 1.00 0.00 C ATOM 1027 OE1 GLN A 64 7.374 -12.894 -3.945 1.00 0.00 O ATOM 1028 NE2 GLN A 64 7.350 -13.935 -1.955 1.00 0.00 N ATOM 0 H GLN A 64 9.881 -9.033 -1.878 1.00 0.00 H new ATOM 0 HA GLN A 64 11.455 -10.409 -3.794 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.787 -12.309 -4.117 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.843 -12.457 -2.727 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.131 -12.365 -1.253 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.341 -11.048 -2.098 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.714 -13.979 -1.003 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.657 -14.615 -2.268 1.00 0.00 H new ATOM 1037 N GLU A 65 8.902 -8.619 -3.760 1.00 0.00 N ATOM 1038 CA GLU A 65 7.939 -7.855 -4.546 1.00 0.00 C ATOM 1039 C GLU A 65 8.033 -6.364 -4.247 1.00 0.00 C ATOM 1040 O GLU A 65 7.775 -5.936 -3.127 1.00 0.00 O ATOM 1041 CB GLU A 65 6.522 -8.348 -4.257 1.00 0.00 C ATOM 1042 CG GLU A 65 5.673 -8.526 -5.504 1.00 0.00 C ATOM 1043 CD GLU A 65 4.332 -7.827 -5.402 1.00 0.00 C ATOM 1044 OE1 GLU A 65 4.296 -6.586 -5.543 1.00 0.00 O ATOM 1045 OE2 GLU A 65 3.317 -8.520 -5.180 1.00 0.00 O ATOM 0 H GLU A 65 9.075 -8.249 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 65 8.174 -8.006 -5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.578 -9.299 -3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.029 -7.640 -3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.215 -8.139 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.512 -9.589 -5.680 1.00 0.00 H new ATOM 1052 N VAL A 66 8.395 -5.574 -5.255 1.00 0.00 N ATOM 1053 CA VAL A 66 8.507 -4.130 -5.085 1.00 0.00 C ATOM 1054 C VAL A 66 7.842 -3.376 -6.237 1.00 0.00 C ATOM 1055 O VAL A 66 8.191 -3.569 -7.401 1.00 0.00 O ATOM 1056 CB VAL A 66 9.978 -3.684 -4.977 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.062 -2.193 -4.693 1.00 0.00 C ATOM 1058 CG2 VAL A 66 10.699 -4.478 -3.899 1.00 0.00 C ATOM 0 H VAL A 66 8.615 -5.908 -6.193 1.00 0.00 H new ATOM 0 HA VAL A 66 7.992 -3.889 -4.155 1.00 0.00 H new ATOM 0 HB VAL A 66 10.469 -3.879 -5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.108 -1.895 -4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.583 -1.641 -5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.555 -1.972 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.736 -4.149 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.209 -4.316 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.669 -5.539 -4.147 1.00 0.00 H new ATOM 1068 N THR A 67 6.889 -2.509 -5.899 1.00 0.00 N ATOM 1069 CA THR A 67 6.180 -1.716 -6.899 1.00 0.00 C ATOM 1070 C THR A 67 6.015 -0.272 -6.431 1.00 0.00 C ATOM 1071 O THR A 67 5.439 -0.016 -5.374 1.00 0.00 O ATOM 1072 CB THR A 67 4.792 -2.307 -7.210 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.786 -3.715 -6.943 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.412 -2.061 -8.662 1.00 0.00 C ATOM 0 H THR A 67 6.590 -2.338 -4.939 1.00 0.00 H new ATOM 0 HA THR A 67 6.782 -1.738 -7.807 1.00 0.00 H new ATOM 0 HB THR A 67 4.061 -1.813 -6.570 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.899 -4.082 -7.142 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.428 -2.487 -8.858 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.388 -0.989 -8.855 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.147 -2.531 -9.315 1.00 0.00 H new ATOM 1082 N ARG A 68 6.535 0.667 -7.218 1.00 0.00 N ATOM 1083 CA ARG A 68 6.459 2.086 -6.878 1.00 0.00 C ATOM 1084 C ARG A 68 5.306 2.781 -7.601 1.00 0.00 C ATOM 1085 O ARG A 68 5.061 2.540 -8.783 1.00 0.00 O ATOM 1086 CB ARG A 68 7.779 2.774 -7.226 1.00 0.00 C ATOM 1087 CG ARG A 68 8.978 1.843 -7.160 1.00 0.00 C ATOM 1088 CD ARG A 68 9.512 1.518 -8.545 1.00 0.00 C ATOM 1089 NE ARG A 68 10.741 0.732 -8.486 1.00 0.00 N ATOM 1090 CZ ARG A 68 10.863 -0.488 -9.000 1.00 0.00 C ATOM 1091 NH1 ARG A 68 9.836 -1.058 -9.618 1.00 0.00 N ATOM 1092 NH2 ARG A 68 12.011 -1.141 -8.897 1.00 0.00 N ATOM 0 H ARG A 68 7.014 0.471 -8.097 1.00 0.00 H new ATOM 0 HA ARG A 68 6.274 2.162 -5.806 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.708 3.194 -8.230 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.937 3.608 -6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.766 2.305 -6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.695 0.920 -6.653 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.756 0.968 -9.105 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.700 2.444 -9.088 1.00 0.00 H new ATOM 0 HE ARG A 68 11.552 1.142 -8.024 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.950 -0.560 -9.700 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.933 -1.994 -10.011 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.803 -0.708 -8.423 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.103 -2.077 -9.292 1.00 0.00 H new ATOM 1106 N PHE A 69 4.608 3.654 -6.875 1.00 0.00 N ATOM 1107 CA PHE A 69 3.482 4.404 -7.427 1.00 0.00 C ATOM 1108 C PHE A 69 3.248 5.688 -6.637 1.00 0.00 C ATOM 1109 O PHE A 69 3.098 5.655 -5.416 1.00 0.00 O ATOM 1110 CB PHE A 69 2.212 3.548 -7.425 1.00 0.00 C ATOM 1111 CG PHE A 69 2.082 2.657 -6.221 1.00 0.00 C ATOM 1112 CD1 PHE A 69 1.498 3.125 -5.055 1.00 0.00 C ATOM 1113 CD2 PHE A 69 2.542 1.351 -6.258 1.00 0.00 C ATOM 1114 CE1 PHE A 69 1.376 2.307 -3.947 1.00 0.00 C ATOM 1115 CE2 PHE A 69 2.422 0.528 -5.155 1.00 0.00 C ATOM 1116 CZ PHE A 69 1.839 1.006 -3.998 1.00 0.00 C ATOM 0 H PHE A 69 4.805 3.860 -5.896 1.00 0.00 H new ATOM 0 HA PHE A 69 3.725 4.669 -8.456 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.343 4.204 -7.475 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.199 2.932 -8.324 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.134 4.141 -5.011 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.000 0.972 -7.160 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.920 2.684 -3.044 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.784 -0.489 -5.198 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.745 0.364 -3.135 1.00 0.00 H new ATOM 1126 N ASP A 70 3.205 6.816 -7.340 1.00 0.00 N ATOM 1127 CA ASP A 70 2.976 8.107 -6.696 1.00 0.00 C ATOM 1128 C ASP A 70 1.500 8.467 -6.760 1.00 0.00 C ATOM 1129 O ASP A 70 0.845 8.257 -7.781 1.00 0.00 O ATOM 1130 CB ASP A 70 3.813 9.203 -7.361 1.00 0.00 C ATOM 1131 CG ASP A 70 3.564 9.298 -8.853 1.00 0.00 C ATOM 1132 OD1 ASP A 70 4.256 8.594 -9.617 1.00 0.00 O ATOM 1133 OD2 ASP A 70 2.676 10.078 -9.258 1.00 0.00 O ATOM 0 H ASP A 70 3.325 6.863 -8.352 1.00 0.00 H new ATOM 0 HA ASP A 70 3.280 8.029 -5.652 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.585 10.162 -6.896 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.870 9.006 -7.184 1.00 0.00 H new ATOM 1138 N PHE A 71 0.974 8.992 -5.661 1.00 0.00 N ATOM 1139 CA PHE A 71 -0.432 9.358 -5.599 1.00 0.00 C ATOM 1140 C PHE A 71 -0.636 10.679 -4.858 1.00 0.00 C ATOM 1141 O PHE A 71 0.130 11.027 -3.960 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.224 8.231 -4.932 1.00 0.00 C ATOM 1143 CG PHE A 71 -0.863 8.005 -3.490 1.00 0.00 C ATOM 1144 CD1 PHE A 71 0.269 7.279 -3.150 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -1.657 8.512 -2.474 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.601 7.065 -1.825 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -1.330 8.301 -1.148 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.200 7.577 -0.823 1.00 0.00 C ATOM 0 H PHE A 71 1.498 9.173 -4.805 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.798 9.501 -6.616 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.288 8.459 -4.999 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.060 7.307 -5.487 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.899 6.876 -3.930 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.542 9.079 -2.721 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.485 6.498 -1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.958 8.702 -0.366 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.057 7.411 0.213 1.00 0.00 H new ATOM 1158 N THR A 72 -1.672 11.414 -5.257 1.00 0.00 N ATOM 1159 CA THR A 72 -1.986 12.706 -4.655 1.00 0.00 C ATOM 1160 C THR A 72 -3.172 12.606 -3.701 1.00 0.00 C ATOM 1161 O THR A 72 -3.845 11.577 -3.643 1.00 0.00 O ATOM 1162 CB THR A 72 -2.289 13.770 -5.725 1.00 0.00 C ATOM 1163 OG1 THR A 72 -2.321 13.164 -7.023 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.243 14.874 -5.702 1.00 0.00 C ATOM 0 H THR A 72 -2.312 11.133 -6.000 1.00 0.00 H new ATOM 0 HA THR A 72 -1.102 13.008 -4.093 1.00 0.00 H new ATOM 0 HB THR A 72 -3.262 14.208 -5.504 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.516 13.847 -7.698 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.478 15.614 -6.467 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.240 15.352 -4.723 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.260 14.448 -5.900 1.00 0.00 H new