USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 496 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 Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 82:sc= 0.251! USER MOD Single : A 17 MET CE :methyl 173:sc= -0.7 (180deg=-0.751) USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 1.1 (180deg=0.903) USER MOD Single : A 29 ASN : amide:sc= 0.182 X(o=0.18,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -55:sc= 0.614 USER MOD Single : A 37 MET CE :methyl -148:sc= -1.06 (180deg=-3.97!) USER MOD Single : A 39 MET CE :methyl -158:sc= 0 (180deg=-1.1) USER MOD Single : A 41 THR OG1 : rot 73:sc= 0.192 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 0.854 (180deg=0.846) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 46 THR OG1 : rot -42:sc= 0.451 USER MOD Single : A 47 TYR OH : rot -40:sc= 1.13 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0037 USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= 0.935 (180deg=-0.101!) USER MOD Single : A 52 THR OG1 : rot -67:sc= 0.614 USER MOD Single : A 56 MET CE :methyl 131:sc= -1.29 (180deg=-6.65!) USER MOD Single : A 57 LYS NZ :NH3+ -169:sc= 1.24 (180deg=0.974) USER MOD Single : A 67 LYS NZ :NH3+ -151:sc= 1.95 (180deg=0.93) USER MOD Single : A 68 ASN : amide:sc= -1.33 K(o=-1.3,f=-6.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 153:sc= -0.194 (180deg=-1.31) USER MOD ----------------------------------------------------------------- ATOM 158 N GLU A 12 25.999 -30.391 -23.719 1.00 0.00 N ATOM 159 CA GLU A 12 27.338 -29.804 -23.873 1.00 0.00 C ATOM 160 C GLU A 12 27.376 -28.830 -25.065 1.00 0.00 C ATOM 161 O GLU A 12 28.038 -27.794 -25.036 1.00 0.00 O ATOM 162 CB GLU A 12 28.442 -30.857 -24.011 1.00 0.00 C ATOM 163 CG GLU A 12 28.742 -31.537 -22.670 1.00 0.00 C ATOM 164 CD GLU A 12 29.606 -30.654 -21.777 1.00 0.00 C ATOM 165 OE1 GLU A 12 30.829 -30.560 -22.022 1.00 0.00 O ATOM 166 OE2 GLU A 12 29.064 -30.051 -20.824 1.00 0.00 O ATOM 0 HA GLU A 12 27.538 -29.254 -22.953 1.00 0.00 H new ATOM 0 HB2 GLU A 12 28.141 -31.608 -24.741 1.00 0.00 H new ATOM 0 HB3 GLU A 12 29.349 -30.387 -24.393 1.00 0.00 H new ATOM 0 HG2 GLU A 12 27.806 -31.767 -22.160 1.00 0.00 H new ATOM 0 HG3 GLU A 12 29.250 -32.485 -22.847 1.00 0.00 H new ATOM 173 N LYS A 13 26.597 -29.148 -26.100 1.00 0.00 N ATOM 174 CA LYS A 13 26.435 -28.204 -27.205 1.00 0.00 C ATOM 175 C LYS A 13 25.804 -26.871 -26.776 1.00 0.00 C ATOM 176 O LYS A 13 26.405 -25.807 -26.957 1.00 0.00 O ATOM 177 CB LYS A 13 25.674 -28.836 -28.382 1.00 0.00 C ATOM 178 CG LYS A 13 26.109 -28.260 -29.740 1.00 0.00 C ATOM 179 CD LYS A 13 25.574 -26.843 -29.984 1.00 0.00 C ATOM 180 CE LYS A 13 24.050 -26.835 -30.126 1.00 0.00 C ATOM 181 NZ LYS A 13 23.571 -25.452 -30.306 1.00 0.00 N ATOM 0 H LYS A 13 26.083 -30.024 -26.196 1.00 0.00 H new ATOM 0 HA LYS A 13 27.442 -27.965 -27.546 1.00 0.00 H new ATOM 0 HB2 LYS A 13 25.836 -29.914 -28.379 1.00 0.00 H new ATOM 0 HB3 LYS A 13 24.604 -28.674 -28.248 1.00 0.00 H new ATOM 0 HG2 LYS A 13 27.198 -28.246 -29.792 1.00 0.00 H new ATOM 0 HG3 LYS A 13 25.760 -28.917 -30.537 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.867 -26.195 -29.158 1.00 0.00 H new ATOM 0 HD3 LYS A 13 26.027 -26.433 -30.887 1.00 0.00 H new ATOM 0 HE2 LYS A 13 23.752 -27.446 -30.978 1.00 0.00 H new ATOM 0 HE3 LYS A 13 23.591 -27.276 -29.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 22.535 -25.453 -30.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 23.842 -24.881 -29.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 23.998 -25.046 -31.163 1.00 0.00 H new ATOM 195 N ASP A 14 24.599 -26.895 -26.190 1.00 0.00 N ATOM 196 CA ASP A 14 24.019 -25.611 -25.769 1.00 0.00 C ATOM 197 C ASP A 14 24.854 -24.901 -24.701 1.00 0.00 C ATOM 198 O ASP A 14 24.951 -23.679 -24.672 1.00 0.00 O ATOM 199 CB ASP A 14 22.552 -25.663 -25.324 1.00 0.00 C ATOM 200 CG ASP A 14 21.905 -24.283 -25.358 1.00 0.00 C ATOM 201 OD1 ASP A 14 21.761 -23.714 -26.462 1.00 0.00 O ATOM 202 OD2 ASP A 14 21.541 -23.764 -24.280 1.00 0.00 O ATOM 0 H ASP A 14 24.038 -27.727 -26.005 1.00 0.00 H new ATOM 0 HA ASP A 14 24.040 -25.029 -26.690 1.00 0.00 H new ATOM 0 HB2 ASP A 14 21.998 -26.341 -25.973 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.492 -26.069 -24.314 1.00 0.00 H new ATOM 207 N GLU A 15 25.478 -25.683 -23.828 1.00 0.00 N ATOM 208 CA GLU A 15 26.358 -25.089 -22.818 1.00 0.00 C ATOM 209 C GLU A 15 27.501 -24.279 -23.413 1.00 0.00 C ATOM 210 O GLU A 15 27.773 -23.158 -22.984 1.00 0.00 O ATOM 211 CB GLU A 15 26.928 -26.130 -21.832 1.00 0.00 C ATOM 212 CG GLU A 15 25.936 -26.445 -20.700 1.00 0.00 C ATOM 213 CD GLU A 15 25.662 -25.228 -19.818 1.00 0.00 C ATOM 214 OE1 GLU A 15 26.535 -24.856 -19.005 1.00 0.00 O ATOM 215 OE2 GLU A 15 24.569 -24.634 -19.941 1.00 0.00 O ATOM 0 H GLU A 15 25.399 -26.699 -23.794 1.00 0.00 H new ATOM 0 HA GLU A 15 25.710 -24.406 -22.268 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.169 -27.047 -22.370 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.859 -25.756 -21.406 1.00 0.00 H new ATOM 0 HG2 GLU A 15 24.999 -26.799 -21.129 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.332 -27.254 -20.087 1.00 0.00 H new ATOM 222 N CYS A 16 28.185 -24.838 -24.398 1.00 0.00 N ATOM 223 CA CYS A 16 29.353 -24.102 -24.923 1.00 0.00 C ATOM 224 C CYS A 16 28.925 -23.014 -25.938 1.00 0.00 C ATOM 225 O CYS A 16 29.694 -22.086 -26.175 1.00 0.00 O ATOM 226 CB CYS A 16 30.219 -25.155 -25.628 1.00 0.00 C ATOM 227 SG CYS A 16 30.329 -26.673 -24.623 1.00 0.00 S ATOM 0 H CYS A 16 27.982 -25.737 -24.835 1.00 0.00 H new ATOM 0 HA CYS A 16 29.885 -23.593 -24.120 1.00 0.00 H new ATOM 0 HB2 CYS A 16 29.794 -25.389 -26.604 1.00 0.00 H new ATOM 0 HB3 CYS A 16 31.218 -24.755 -25.803 1.00 0.00 H new ATOM 0 HG CYS A 16 29.269 -27.400 -24.817 1.00 0.00 H new ATOM 233 N MET A 17 27.729 -23.069 -26.551 1.00 0.00 N ATOM 234 CA MET A 17 27.280 -21.852 -27.285 1.00 0.00 C ATOM 235 C MET A 17 26.651 -20.815 -26.324 1.00 0.00 C ATOM 236 O MET A 17 26.623 -19.614 -26.599 1.00 0.00 O ATOM 237 CB MET A 17 26.367 -22.041 -28.513 1.00 0.00 C ATOM 238 CG MET A 17 26.719 -21.020 -29.627 1.00 0.00 C ATOM 239 SD MET A 17 27.591 -21.823 -31.004 1.00 0.00 S ATOM 240 CE MET A 17 29.079 -20.786 -31.183 1.00 0.00 C ATOM 0 H MET A 17 27.094 -23.867 -26.563 1.00 0.00 H new ATOM 0 HA MET A 17 28.216 -21.491 -27.711 1.00 0.00 H new ATOM 0 HB2 MET A 17 26.473 -23.055 -28.897 1.00 0.00 H new ATOM 0 HB3 MET A 17 25.325 -21.919 -28.218 1.00 0.00 H new ATOM 0 HG2 MET A 17 25.807 -20.551 -29.995 1.00 0.00 H new ATOM 0 HG3 MET A 17 27.341 -20.226 -29.213 1.00 0.00 H new ATOM 0 HE1 MET A 17 29.755 -21.241 -31.907 1.00 0.00 H new ATOM 0 HE2 MET A 17 28.791 -19.793 -31.530 1.00 0.00 H new ATOM 0 HE3 MET A 17 29.582 -20.702 -30.220 1.00 0.00 H new ATOM 250 N LYS A 18 26.127 -21.285 -25.192 1.00 0.00 N ATOM 251 CA LYS A 18 25.661 -20.367 -24.153 1.00 0.00 C ATOM 252 C LYS A 18 26.830 -19.680 -23.435 1.00 0.00 C ATOM 253 O LYS A 18 26.812 -18.476 -23.173 1.00 0.00 O ATOM 254 CB LYS A 18 24.728 -21.128 -23.202 1.00 0.00 C ATOM 255 CG LYS A 18 24.482 -20.448 -21.858 1.00 0.00 C ATOM 256 CD LYS A 18 23.624 -21.382 -21.006 1.00 0.00 C ATOM 257 CE LYS A 18 23.894 -21.191 -19.514 1.00 0.00 C ATOM 258 NZ LYS A 18 25.042 -22.023 -19.105 1.00 0.00 N ATOM 0 H LYS A 18 26.016 -22.275 -24.973 1.00 0.00 H new ATOM 0 HA LYS A 18 25.093 -19.555 -24.607 1.00 0.00 H new ATOM 0 HB2 LYS A 18 23.769 -21.275 -23.699 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.148 -22.117 -23.020 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.428 -20.238 -21.359 1.00 0.00 H new ATOM 0 HG3 LYS A 18 23.978 -19.492 -22.001 1.00 0.00 H new ATOM 0 HD2 LYS A 18 22.570 -21.197 -21.212 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.826 -22.417 -21.283 1.00 0.00 H new ATOM 0 HE2 LYS A 18 24.100 -20.142 -19.303 1.00 0.00 H new ATOM 0 HE3 LYS A 18 23.011 -21.464 -18.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 25.265 -21.840 -18.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 24.804 -23.028 -19.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 25.867 -21.789 -19.693 1.00 0.00 H new ATOM 272 N ILE A 19 27.849 -20.465 -23.098 1.00 0.00 N ATOM 273 CA ILE A 19 29.120 -19.866 -22.676 1.00 0.00 C ATOM 274 C ILE A 19 29.668 -18.915 -23.749 1.00 0.00 C ATOM 275 O ILE A 19 30.134 -17.817 -23.467 1.00 0.00 O ATOM 276 CB ILE A 19 30.120 -20.960 -22.250 1.00 0.00 C ATOM 277 CG1 ILE A 19 30.829 -20.590 -20.947 1.00 0.00 C ATOM 278 CG2 ILE A 19 31.150 -21.323 -23.318 1.00 0.00 C ATOM 279 CD1 ILE A 19 31.765 -19.399 -21.108 1.00 0.00 C ATOM 0 H ILE A 19 27.828 -21.485 -23.106 1.00 0.00 H new ATOM 0 HA ILE A 19 28.947 -19.248 -21.795 1.00 0.00 H new ATOM 0 HB ILE A 19 29.510 -21.850 -22.096 1.00 0.00 H new ATOM 0 HG12 ILE A 19 30.084 -20.362 -20.184 1.00 0.00 H new ATOM 0 HG13 ILE A 19 31.398 -21.449 -20.590 1.00 0.00 H new ATOM 0 HG21 ILE A 19 31.813 -22.099 -22.935 1.00 0.00 H new ATOM 0 HG22 ILE A 19 30.638 -21.689 -24.208 1.00 0.00 H new ATOM 0 HG23 ILE A 19 31.735 -20.440 -23.574 1.00 0.00 H new ATOM 0 HD11 ILE A 19 32.242 -19.179 -20.153 1.00 0.00 H new ATOM 0 HD12 ILE A 19 32.529 -19.634 -21.849 1.00 0.00 H new ATOM 0 HD13 ILE A 19 31.195 -18.530 -21.437 1.00 0.00 H new ATOM 291 N PHE A 20 29.560 -19.345 -25.000 1.00 0.00 N ATOM 292 CA PHE A 20 29.895 -18.458 -26.111 1.00 0.00 C ATOM 293 C PHE A 20 29.076 -17.153 -26.127 1.00 0.00 C ATOM 294 O PHE A 20 29.569 -16.095 -26.511 1.00 0.00 O ATOM 295 CB PHE A 20 29.740 -19.237 -27.433 1.00 0.00 C ATOM 296 CG PHE A 20 30.433 -18.574 -28.592 1.00 0.00 C ATOM 297 CD1 PHE A 20 31.765 -18.729 -28.749 1.00 0.00 C ATOM 298 CD2 PHE A 20 29.818 -17.549 -29.210 1.00 0.00 C ATOM 299 CE1 PHE A 20 32.517 -17.665 -29.122 1.00 0.00 C ATOM 300 CE2 PHE A 20 30.544 -16.472 -29.600 1.00 0.00 C ATOM 301 CZ PHE A 20 31.901 -16.517 -29.509 1.00 0.00 C ATOM 0 H PHE A 20 29.251 -20.279 -25.269 1.00 0.00 H new ATOM 0 HA PHE A 20 30.929 -18.139 -25.983 1.00 0.00 H new ATOM 0 HB2 PHE A 20 30.141 -20.243 -27.305 1.00 0.00 H new ATOM 0 HB3 PHE A 20 28.680 -19.343 -27.663 1.00 0.00 H new ATOM 0 HD1 PHE A 20 32.226 -19.691 -28.579 1.00 0.00 H new ATOM 0 HD2 PHE A 20 28.754 -17.584 -29.394 1.00 0.00 H new ATOM 0 HE1 PHE A 20 33.595 -17.729 -29.112 1.00 0.00 H new ATOM 0 HE2 PHE A 20 30.051 -15.589 -29.978 1.00 0.00 H new ATOM 0 HZ PHE A 20 32.488 -15.641 -29.744 1.00 0.00 H new ATOM 311 N ASP A 21 27.831 -17.225 -25.669 1.00 0.00 N ATOM 312 CA ASP A 21 26.996 -16.015 -25.627 1.00 0.00 C ATOM 313 C ASP A 21 27.321 -15.091 -24.444 1.00 0.00 C ATOM 314 O ASP A 21 27.362 -13.868 -24.580 1.00 0.00 O ATOM 315 CB ASP A 21 25.507 -16.383 -25.638 1.00 0.00 C ATOM 316 CG ASP A 21 24.639 -15.248 -26.167 1.00 0.00 C ATOM 317 OD1 ASP A 21 24.517 -15.105 -27.402 1.00 0.00 O ATOM 318 OD2 ASP A 21 24.063 -14.501 -25.346 1.00 0.00 O ATOM 0 H ASP A 21 27.382 -18.076 -25.330 1.00 0.00 H new ATOM 0 HA ASP A 21 27.231 -15.449 -26.529 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.358 -17.270 -26.254 1.00 0.00 H new ATOM 0 HB3 ASP A 21 25.190 -16.640 -24.627 1.00 0.00 H new ATOM 323 N ILE A 22 27.543 -15.670 -23.271 1.00 0.00 N ATOM 324 CA ILE A 22 27.974 -14.816 -22.142 1.00 0.00 C ATOM 325 C ILE A 22 29.426 -14.338 -22.325 1.00 0.00 C ATOM 326 O ILE A 22 29.752 -13.169 -22.114 1.00 0.00 O ATOM 327 CB ILE A 22 27.837 -15.398 -20.704 1.00 0.00 C ATOM 328 CG1 ILE A 22 26.402 -15.819 -20.342 1.00 0.00 C ATOM 329 CG2 ILE A 22 28.283 -14.337 -19.686 1.00 0.00 C ATOM 330 CD1 ILE A 22 26.402 -16.584 -19.013 1.00 0.00 C ATOM 0 H ILE A 22 27.443 -16.665 -23.069 1.00 0.00 H new ATOM 0 HA ILE A 22 27.254 -13.999 -22.195 1.00 0.00 H new ATOM 0 HB ILE A 22 28.463 -16.290 -20.675 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.764 -14.939 -20.265 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.987 -16.445 -21.132 1.00 0.00 H new ATOM 0 HG21 ILE A 22 28.189 -14.739 -18.677 1.00 0.00 H new ATOM 0 HG22 ILE A 22 29.322 -14.067 -19.874 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.654 -13.452 -19.784 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.383 -16.879 -18.763 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.025 -17.474 -19.105 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.798 -15.944 -18.225 1.00 0.00 H new ATOM 342 N PHE A 23 30.300 -15.252 -22.719 1.00 0.00 N ATOM 343 CA PHE A 23 31.729 -14.920 -22.772 1.00 0.00 C ATOM 344 C PHE A 23 32.191 -14.249 -24.059 1.00 0.00 C ATOM 345 O PHE A 23 33.331 -13.785 -24.132 1.00 0.00 O ATOM 346 CB PHE A 23 32.601 -16.143 -22.532 1.00 0.00 C ATOM 347 CG PHE A 23 32.720 -16.453 -21.045 1.00 0.00 C ATOM 348 CD1 PHE A 23 31.652 -16.244 -20.233 1.00 0.00 C ATOM 349 CD2 PHE A 23 33.949 -16.556 -20.491 1.00 0.00 C ATOM 350 CE1 PHE A 23 31.846 -15.769 -18.976 1.00 0.00 C ATOM 351 CE2 PHE A 23 34.157 -16.090 -19.233 1.00 0.00 C ATOM 352 CZ PHE A 23 33.107 -15.666 -18.485 1.00 0.00 C ATOM 0 H PHE A 23 30.063 -16.203 -23.000 1.00 0.00 H new ATOM 0 HA PHE A 23 31.848 -14.193 -21.969 1.00 0.00 H new ATOM 0 HB2 PHE A 23 32.178 -17.002 -23.052 1.00 0.00 H new ATOM 0 HB3 PHE A 23 33.593 -15.973 -22.951 1.00 0.00 H new ATOM 0 HD1 PHE A 23 30.653 -16.455 -20.585 1.00 0.00 H new ATOM 0 HD2 PHE A 23 34.759 -17.006 -21.045 1.00 0.00 H new ATOM 0 HE1 PHE A 23 31.002 -15.475 -18.370 1.00 0.00 H new ATOM 0 HE2 PHE A 23 35.158 -16.057 -18.828 1.00 0.00 H new ATOM 0 HZ PHE A 23 33.274 -15.248 -17.503 1.00 0.00 H new ATOM 362 N ASP A 24 31.364 -14.218 -25.108 1.00 0.00 N ATOM 363 CA ASP A 24 31.751 -13.389 -26.249 1.00 0.00 C ATOM 364 C ASP A 24 32.077 -11.952 -25.783 1.00 0.00 C ATOM 365 O ASP A 24 32.947 -11.274 -26.326 1.00 0.00 O ATOM 366 CB ASP A 24 30.781 -13.416 -27.437 1.00 0.00 C ATOM 367 CG ASP A 24 29.362 -12.974 -27.082 1.00 0.00 C ATOM 368 OD1 ASP A 24 29.195 -11.915 -26.440 1.00 0.00 O ATOM 369 OD2 ASP A 24 28.406 -13.674 -27.475 1.00 0.00 O ATOM 0 H ASP A 24 30.481 -14.721 -25.192 1.00 0.00 H new ATOM 0 HA ASP A 24 32.655 -13.844 -26.654 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.167 -12.769 -28.225 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.746 -14.427 -27.843 1.00 0.00 H new ATOM 437 N ASN A 29 32.066 -11.029 -30.341 1.00 0.00 N ATOM 438 CA ASN A 29 32.754 -11.830 -31.357 1.00 0.00 C ATOM 439 C ASN A 29 34.228 -12.132 -31.068 1.00 0.00 C ATOM 440 O ASN A 29 34.949 -12.568 -31.963 1.00 0.00 O ATOM 441 CB ASN A 29 32.558 -11.250 -32.771 1.00 0.00 C ATOM 442 CG ASN A 29 33.413 -10.004 -33.032 1.00 0.00 C ATOM 443 OD1 ASN A 29 34.164 -9.939 -34.001 1.00 0.00 O ATOM 444 ND2 ASN A 29 33.325 -9.000 -32.174 1.00 0.00 N ATOM 0 HA ASN A 29 32.264 -12.803 -31.309 1.00 0.00 H new ATOM 0 HB2 ASN A 29 32.805 -12.014 -33.508 1.00 0.00 H new ATOM 0 HB3 ASN A 29 31.507 -10.998 -32.912 1.00 0.00 H new ATOM 0 HD21 ASN A 29 33.885 -8.159 -32.314 1.00 0.00 H new ATOM 0 HD22 ASN A 29 32.697 -9.067 -31.373 1.00 0.00 H new ATOM 451 N ILE A 30 34.704 -11.899 -29.846 1.00 0.00 N ATOM 452 CA ILE A 30 36.068 -12.352 -29.512 1.00 0.00 C ATOM 453 C ILE A 30 36.177 -12.769 -28.024 1.00 0.00 C ATOM 454 O ILE A 30 36.027 -11.954 -27.113 1.00 0.00 O ATOM 455 CB ILE A 30 37.214 -11.389 -29.932 1.00 0.00 C ATOM 456 CG1 ILE A 30 37.299 -10.202 -28.946 1.00 0.00 C ATOM 457 CG2 ILE A 30 37.067 -10.881 -31.373 1.00 0.00 C ATOM 458 CD1 ILE A 30 38.049 -8.986 -29.503 1.00 0.00 C ATOM 0 H ILE A 30 34.200 -11.423 -29.097 1.00 0.00 H new ATOM 0 HA ILE A 30 36.225 -13.233 -30.134 1.00 0.00 H new ATOM 0 HB ILE A 30 38.141 -11.961 -29.895 1.00 0.00 H new ATOM 0 HG12 ILE A 30 36.289 -9.899 -28.669 1.00 0.00 H new ATOM 0 HG13 ILE A 30 37.793 -10.535 -28.033 1.00 0.00 H new ATOM 0 HG21 ILE A 30 37.895 -10.213 -31.610 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.076 -11.727 -32.060 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.125 -10.341 -31.474 1.00 0.00 H new ATOM 0 HD11 ILE A 30 38.067 -8.195 -28.754 1.00 0.00 H new ATOM 0 HD12 ILE A 30 39.071 -9.272 -29.753 1.00 0.00 H new ATOM 0 HD13 ILE A 30 37.543 -8.626 -30.399 1.00 0.00 H new ATOM 470 N ALA A 31 36.433 -14.054 -27.776 1.00 0.00 N ATOM 471 CA ALA A 31 36.569 -14.517 -26.375 1.00 0.00 C ATOM 472 C ALA A 31 37.994 -15.043 -26.074 1.00 0.00 C ATOM 473 O ALA A 31 38.388 -16.083 -26.597 1.00 0.00 O ATOM 474 CB ALA A 31 35.552 -15.607 -26.028 1.00 0.00 C ATOM 0 H ALA A 31 36.548 -14.775 -28.488 1.00 0.00 H new ATOM 0 HA ALA A 31 36.375 -13.642 -25.754 1.00 0.00 H new ATOM 0 HB1 ALA A 31 35.689 -15.916 -24.992 1.00 0.00 H new ATOM 0 HB2 ALA A 31 34.542 -15.218 -26.160 1.00 0.00 H new ATOM 0 HB3 ALA A 31 35.699 -16.464 -26.685 1.00 0.00 H new ATOM 480 N PRO A 32 38.749 -14.429 -25.151 1.00 0.00 N ATOM 481 CA PRO A 32 40.196 -14.718 -25.078 1.00 0.00 C ATOM 482 C PRO A 32 40.530 -15.937 -24.189 1.00 0.00 C ATOM 483 O PRO A 32 39.676 -16.732 -23.802 1.00 0.00 O ATOM 484 CB PRO A 32 40.780 -13.409 -24.517 1.00 0.00 C ATOM 485 CG PRO A 32 39.616 -12.628 -23.902 1.00 0.00 C ATOM 486 CD PRO A 32 38.354 -13.139 -24.591 1.00 0.00 C ATOM 0 HA PRO A 32 40.613 -14.997 -26.045 1.00 0.00 H new ATOM 0 HB2 PRO A 32 41.544 -13.617 -23.768 1.00 0.00 H new ATOM 0 HB3 PRO A 32 41.258 -12.830 -25.307 1.00 0.00 H new ATOM 0 HG2 PRO A 32 39.565 -12.789 -22.825 1.00 0.00 H new ATOM 0 HG3 PRO A 32 39.739 -11.556 -24.059 1.00 0.00 H new ATOM 0 HD2 PRO A 32 37.531 -13.247 -23.885 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.019 -12.453 -25.369 1.00 0.00 H new ATOM 494 N VAL A 33 41.820 -16.093 -23.916 1.00 0.00 N ATOM 495 CA VAL A 33 42.273 -17.218 -23.041 1.00 0.00 C ATOM 496 C VAL A 33 41.705 -17.148 -21.612 1.00 0.00 C ATOM 497 O VAL A 33 41.227 -18.137 -21.054 1.00 0.00 O ATOM 498 CB VAL A 33 43.803 -17.364 -22.928 1.00 0.00 C ATOM 499 CG1 VAL A 33 44.478 -16.094 -22.388 1.00 0.00 C ATOM 500 CG2 VAL A 33 44.201 -18.565 -22.061 1.00 0.00 C ATOM 0 H VAL A 33 42.564 -15.489 -24.264 1.00 0.00 H new ATOM 0 HA VAL A 33 41.875 -18.091 -23.558 1.00 0.00 H new ATOM 0 HB VAL A 33 44.157 -17.531 -23.945 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.555 -16.252 -22.329 1.00 0.00 H new ATOM 0 HG12 VAL A 33 44.270 -15.259 -23.057 1.00 0.00 H new ATOM 0 HG13 VAL A 33 44.089 -15.869 -21.395 1.00 0.00 H new ATOM 0 HG21 VAL A 33 45.288 -18.631 -22.008 1.00 0.00 H new ATOM 0 HG22 VAL A 33 43.796 -18.439 -21.057 1.00 0.00 H new ATOM 0 HG23 VAL A 33 43.803 -19.479 -22.501 1.00 0.00 H new ATOM 510 N SER A 34 41.843 -15.982 -20.983 1.00 0.00 N ATOM 511 CA SER A 34 41.312 -15.826 -19.617 1.00 0.00 C ATOM 512 C SER A 34 39.833 -16.224 -19.512 1.00 0.00 C ATOM 513 O SER A 34 39.359 -16.725 -18.493 1.00 0.00 O ATOM 514 CB SER A 34 41.529 -14.411 -19.067 1.00 0.00 C ATOM 515 OG SER A 34 40.846 -13.459 -19.875 1.00 0.00 O ATOM 0 H SER A 34 42.299 -15.157 -21.373 1.00 0.00 H new ATOM 0 HA SER A 34 41.884 -16.517 -18.998 1.00 0.00 H new ATOM 0 HB2 SER A 34 41.168 -14.353 -18.040 1.00 0.00 H new ATOM 0 HB3 SER A 34 42.594 -14.181 -19.044 1.00 0.00 H new ATOM 0 HG SER A 34 40.990 -12.560 -19.513 1.00 0.00 H new ATOM 521 N ASP A 35 39.105 -15.990 -20.598 1.00 0.00 N ATOM 522 CA ASP A 35 37.734 -16.499 -20.692 1.00 0.00 C ATOM 523 C ASP A 35 37.652 -18.040 -20.623 1.00 0.00 C ATOM 524 O ASP A 35 36.783 -18.606 -19.955 1.00 0.00 O ATOM 525 CB ASP A 35 37.046 -15.931 -21.942 1.00 0.00 C ATOM 526 CG ASP A 35 36.586 -14.494 -21.714 1.00 0.00 C ATOM 527 OD1 ASP A 35 37.437 -13.628 -21.418 1.00 0.00 O ATOM 528 OD2 ASP A 35 35.373 -14.222 -21.840 1.00 0.00 O ATOM 0 H ASP A 35 39.427 -15.464 -21.410 1.00 0.00 H new ATOM 0 HA ASP A 35 37.192 -16.149 -19.813 1.00 0.00 H new ATOM 0 HB2 ASP A 35 37.734 -15.966 -22.787 1.00 0.00 H new ATOM 0 HB3 ASP A 35 36.190 -16.553 -22.203 1.00 0.00 H new ATOM 533 N THR A 36 38.569 -18.726 -21.307 1.00 0.00 N ATOM 534 CA THR A 36 38.658 -20.189 -21.156 1.00 0.00 C ATOM 535 C THR A 36 38.956 -20.622 -19.699 1.00 0.00 C ATOM 536 O THR A 36 38.449 -21.641 -19.232 1.00 0.00 O ATOM 537 CB THR A 36 39.627 -20.834 -22.183 1.00 0.00 C ATOM 538 OG1 THR A 36 39.178 -20.542 -23.499 1.00 0.00 O ATOM 539 CG2 THR A 36 39.716 -22.360 -22.045 1.00 0.00 C ATOM 0 H THR A 36 39.243 -18.314 -21.952 1.00 0.00 H new ATOM 0 HA THR A 36 37.667 -20.579 -21.387 1.00 0.00 H new ATOM 0 HB THR A 36 40.615 -20.416 -21.987 1.00 0.00 H new ATOM 0 HG1 THR A 36 38.248 -20.835 -23.600 1.00 0.00 H new ATOM 0 HG21 THR A 36 40.408 -22.753 -22.790 1.00 0.00 H new ATOM 0 HG22 THR A 36 40.073 -22.615 -21.047 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.730 -22.797 -22.200 1.00 0.00 H new ATOM 547 N MET A 37 39.744 -19.833 -18.958 1.00 0.00 N ATOM 548 CA MET A 37 39.966 -20.168 -17.537 1.00 0.00 C ATOM 549 C MET A 37 38.737 -19.879 -16.676 1.00 0.00 C ATOM 550 O MET A 37 38.252 -20.747 -15.946 1.00 0.00 O ATOM 551 CB MET A 37 41.184 -19.458 -16.916 1.00 0.00 C ATOM 552 CG MET A 37 42.445 -19.577 -17.769 1.00 0.00 C ATOM 553 SD MET A 37 42.660 -21.280 -18.300 1.00 0.00 S ATOM 554 CE MET A 37 42.723 -20.975 -20.067 1.00 0.00 C ATOM 0 H MET A 37 40.221 -18.996 -19.293 1.00 0.00 H new ATOM 0 HA MET A 37 40.166 -21.239 -17.542 1.00 0.00 H new ATOM 0 HB2 MET A 37 40.948 -18.404 -16.772 1.00 0.00 H new ATOM 0 HB3 MET A 37 41.379 -19.879 -15.930 1.00 0.00 H new ATOM 0 HG2 MET A 37 42.371 -18.922 -18.637 1.00 0.00 H new ATOM 0 HG3 MET A 37 43.314 -19.252 -17.197 1.00 0.00 H new ATOM 0 HE1 MET A 37 42.296 -21.826 -20.598 1.00 0.00 H new ATOM 0 HE2 MET A 37 42.152 -20.077 -20.302 1.00 0.00 H new ATOM 0 HE3 MET A 37 43.759 -20.837 -20.376 1.00 0.00 H new ATOM 564 N ASP A 38 38.264 -18.632 -16.728 1.00 0.00 N ATOM 565 CA ASP A 38 37.002 -18.290 -16.050 1.00 0.00 C ATOM 566 C ASP A 38 35.938 -19.373 -16.166 1.00 0.00 C ATOM 567 O ASP A 38 35.392 -19.850 -15.172 1.00 0.00 O ATOM 568 CB ASP A 38 36.376 -17.011 -16.605 1.00 0.00 C ATOM 569 CG ASP A 38 36.801 -15.772 -15.832 1.00 0.00 C ATOM 570 OD1 ASP A 38 37.859 -15.189 -16.152 1.00 0.00 O ATOM 571 OD2 ASP A 38 36.069 -15.375 -14.896 1.00 0.00 O ATOM 0 H ASP A 38 38.716 -17.859 -17.216 1.00 0.00 H new ATOM 0 HA ASP A 38 37.294 -18.166 -15.007 1.00 0.00 H new ATOM 0 HB2 ASP A 38 36.658 -16.897 -17.652 1.00 0.00 H new ATOM 0 HB3 ASP A 38 35.290 -17.099 -16.575 1.00 0.00 H new ATOM 576 N MET A 39 35.656 -19.777 -17.392 1.00 0.00 N ATOM 577 CA MET A 39 34.514 -20.657 -17.598 1.00 0.00 C ATOM 578 C MET A 39 34.808 -22.150 -17.628 1.00 0.00 C ATOM 579 O MET A 39 33.898 -22.973 -17.560 1.00 0.00 O ATOM 580 CB MET A 39 33.660 -20.127 -18.724 1.00 0.00 C ATOM 581 CG MET A 39 32.700 -19.064 -18.171 1.00 0.00 C ATOM 582 SD MET A 39 31.081 -19.794 -17.858 1.00 0.00 S ATOM 583 CE MET A 39 30.177 -18.316 -17.361 1.00 0.00 C ATOM 0 H MET A 39 36.177 -19.524 -18.232 1.00 0.00 H new ATOM 0 HA MET A 39 33.914 -20.620 -16.688 1.00 0.00 H new ATOM 0 HB2 MET A 39 34.290 -19.696 -19.502 1.00 0.00 H new ATOM 0 HB3 MET A 39 33.097 -20.940 -19.183 1.00 0.00 H new ATOM 0 HG2 MET A 39 33.102 -18.644 -17.249 1.00 0.00 H new ATOM 0 HG3 MET A 39 32.606 -18.243 -18.881 1.00 0.00 H new ATOM 0 HE1 MET A 39 29.307 -18.603 -16.771 1.00 0.00 H new ATOM 0 HE2 MET A 39 30.826 -17.676 -16.763 1.00 0.00 H new ATOM 0 HE3 MET A 39 29.850 -17.774 -18.248 1.00 0.00 H new ATOM 593 N LEU A 40 36.066 -22.541 -17.669 1.00 0.00 N ATOM 594 CA LEU A 40 36.336 -23.929 -17.291 1.00 0.00 C ATOM 595 C LEU A 40 36.233 -24.100 -15.767 1.00 0.00 C ATOM 596 O LEU A 40 35.970 -25.187 -15.262 1.00 0.00 O ATOM 597 CB LEU A 40 37.612 -24.510 -17.899 1.00 0.00 C ATOM 598 CG LEU A 40 37.482 -24.630 -19.425 1.00 0.00 C ATOM 599 CD1 LEU A 40 38.815 -25.067 -20.019 1.00 0.00 C ATOM 600 CD2 LEU A 40 36.401 -25.642 -19.822 1.00 0.00 C ATOM 0 H LEU A 40 36.870 -21.973 -17.938 1.00 0.00 H new ATOM 0 HA LEU A 40 35.554 -24.541 -17.740 1.00 0.00 H new ATOM 0 HB2 LEU A 40 38.461 -23.874 -17.651 1.00 0.00 H new ATOM 0 HB3 LEU A 40 37.812 -25.491 -17.468 1.00 0.00 H new ATOM 0 HG LEU A 40 37.196 -23.652 -19.813 1.00 0.00 H new ATOM 0 HD11 LEU A 40 38.721 -25.152 -21.102 1.00 0.00 H new ATOM 0 HD12 LEU A 40 39.580 -24.329 -19.778 1.00 0.00 H new ATOM 0 HD13 LEU A 40 39.099 -26.034 -19.603 1.00 0.00 H new ATOM 0 HD21 LEU A 40 36.338 -25.700 -20.909 1.00 0.00 H new ATOM 0 HD22 LEU A 40 36.656 -26.623 -19.421 1.00 0.00 H new ATOM 0 HD23 LEU A 40 35.439 -25.324 -19.419 1.00 0.00 H new ATOM 612 N THR A 41 36.403 -23.009 -15.025 1.00 0.00 N ATOM 613 CA THR A 41 36.032 -23.041 -13.607 1.00 0.00 C ATOM 614 C THR A 41 34.510 -22.852 -13.405 1.00 0.00 C ATOM 615 O THR A 41 33.895 -23.483 -12.544 1.00 0.00 O ATOM 616 CB THR A 41 36.817 -22.016 -12.772 1.00 0.00 C ATOM 617 OG1 THR A 41 38.196 -22.080 -13.112 1.00 0.00 O ATOM 618 CG2 THR A 41 36.670 -22.293 -11.275 1.00 0.00 C ATOM 0 H THR A 41 36.780 -22.123 -15.361 1.00 0.00 H new ATOM 0 HA THR A 41 36.302 -24.034 -13.247 1.00 0.00 H new ATOM 0 HB THR A 41 36.414 -21.027 -12.990 1.00 0.00 H new ATOM 0 HG1 THR A 41 38.333 -21.685 -13.998 1.00 0.00 H new ATOM 0 HG21 THR A 41 37.236 -21.552 -10.711 1.00 0.00 H new ATOM 0 HG22 THR A 41 35.618 -22.236 -10.996 1.00 0.00 H new ATOM 0 HG23 THR A 41 37.051 -23.289 -11.050 1.00 0.00 H new ATOM 626 N LYS A 42 33.901 -21.999 -14.233 1.00 0.00 N ATOM 627 CA LYS A 42 32.482 -21.676 -14.027 1.00 0.00 C ATOM 628 C LYS A 42 31.491 -22.483 -14.865 1.00 0.00 C ATOM 629 O LYS A 42 30.507 -23.010 -14.344 1.00 0.00 O ATOM 630 CB LYS A 42 32.240 -20.171 -14.213 1.00 0.00 C ATOM 631 CG LYS A 42 32.593 -19.390 -12.941 1.00 0.00 C ATOM 632 CD LYS A 42 33.380 -18.107 -13.248 1.00 0.00 C ATOM 633 CE LYS A 42 32.637 -17.179 -14.214 1.00 0.00 C ATOM 634 NZ LYS A 42 33.341 -15.886 -14.277 1.00 0.00 N ATOM 0 H LYS A 42 34.345 -21.533 -15.024 1.00 0.00 H new ATOM 0 HA LYS A 42 32.279 -21.971 -12.998 1.00 0.00 H new ATOM 0 HB2 LYS A 42 32.839 -19.804 -15.046 1.00 0.00 H new ATOM 0 HB3 LYS A 42 31.195 -19.997 -14.471 1.00 0.00 H new ATOM 0 HG2 LYS A 42 31.677 -19.134 -12.408 1.00 0.00 H new ATOM 0 HG3 LYS A 42 33.181 -20.025 -12.278 1.00 0.00 H new ATOM 0 HD2 LYS A 42 33.577 -17.575 -12.318 1.00 0.00 H new ATOM 0 HD3 LYS A 42 34.347 -18.372 -13.675 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.588 -17.629 -15.205 1.00 0.00 H new ATOM 0 HE3 LYS A 42 31.610 -17.032 -13.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 32.871 -15.268 -14.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 33.321 -15.434 -13.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 34.328 -16.042 -14.566 1.00 0.00 H new ATOM 648 N LEU A 43 31.702 -22.529 -16.177 1.00 0.00 N ATOM 649 CA LEU A 43 30.753 -23.241 -17.027 1.00 0.00 C ATOM 650 C LEU A 43 30.622 -24.741 -16.693 1.00 0.00 C ATOM 651 O LEU A 43 29.611 -25.373 -17.004 1.00 0.00 O ATOM 652 CB LEU A 43 31.039 -22.860 -18.498 1.00 0.00 C ATOM 653 CG LEU A 43 30.962 -23.996 -19.530 1.00 0.00 C ATOM 654 CD1 LEU A 43 29.822 -23.734 -20.501 1.00 0.00 C ATOM 655 CD2 LEU A 43 32.236 -24.084 -20.368 1.00 0.00 C ATOM 0 H LEU A 43 32.490 -22.100 -16.661 1.00 0.00 H new ATOM 0 HA LEU A 43 29.733 -22.917 -16.820 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.333 -22.084 -18.792 1.00 0.00 H new ATOM 0 HB3 LEU A 43 32.035 -22.420 -18.549 1.00 0.00 H new ATOM 0 HG LEU A 43 30.817 -24.921 -18.972 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.772 -24.543 -21.230 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.882 -23.682 -19.952 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.994 -22.790 -21.017 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.144 -24.899 -21.086 1.00 0.00 H new ATOM 0 HD22 LEU A 43 32.386 -23.145 -20.901 1.00 0.00 H new ATOM 0 HD23 LEU A 43 33.089 -24.271 -19.715 1.00 0.00 H new ATOM 667 N GLY A 44 31.628 -25.307 -16.026 1.00 0.00 N ATOM 668 CA GLY A 44 31.486 -26.688 -15.566 1.00 0.00 C ATOM 669 C GLY A 44 32.578 -26.985 -14.552 1.00 0.00 C ATOM 670 O GLY A 44 32.476 -26.645 -13.373 1.00 0.00 O ATOM 0 H GLY A 44 32.514 -24.855 -15.799 1.00 0.00 H new ATOM 0 HA2 GLY A 44 30.504 -26.836 -15.117 1.00 0.00 H new ATOM 0 HA3 GLY A 44 31.558 -27.375 -16.409 1.00 0.00 H new ATOM 674 N GLN A 45 33.659 -27.577 -15.036 1.00 0.00 N ATOM 675 CA GLN A 45 34.774 -27.901 -14.127 1.00 0.00 C ATOM 676 C GLN A 45 35.950 -28.515 -14.898 1.00 0.00 C ATOM 677 O GLN A 45 36.215 -29.716 -14.827 1.00 0.00 O ATOM 678 CB GLN A 45 34.381 -28.809 -12.947 1.00 0.00 C ATOM 679 CG GLN A 45 35.477 -28.861 -11.872 1.00 0.00 C ATOM 680 CD GLN A 45 34.925 -29.377 -10.548 1.00 0.00 C ATOM 681 OE1 GLN A 45 34.087 -30.277 -10.501 1.00 0.00 O ATOM 682 NE2 GLN A 45 35.395 -28.819 -9.451 1.00 0.00 N ATOM 0 H GLN A 45 33.798 -27.839 -16.012 1.00 0.00 H new ATOM 0 HA GLN A 45 35.077 -26.949 -13.691 1.00 0.00 H new ATOM 0 HB2 GLN A 45 33.454 -28.446 -12.503 1.00 0.00 H new ATOM 0 HB3 GLN A 45 34.185 -29.816 -13.314 1.00 0.00 H new ATOM 0 HG2 GLN A 45 36.289 -29.507 -12.207 1.00 0.00 H new ATOM 0 HG3 GLN A 45 35.899 -27.866 -11.730 1.00 0.00 H new ATOM 0 HE21 GLN A 45 36.089 -28.075 -9.515 1.00 0.00 H new ATOM 0 HE22 GLN A 45 35.065 -29.132 -8.538 1.00 0.00 H new ATOM 691 N THR A 46 36.667 -27.682 -15.649 1.00 0.00 N ATOM 692 CA THR A 46 37.795 -28.203 -16.434 1.00 0.00 C ATOM 693 C THR A 46 37.279 -29.199 -17.503 1.00 0.00 C ATOM 694 O THR A 46 36.329 -28.881 -18.219 1.00 0.00 O ATOM 695 CB THR A 46 39.028 -28.591 -15.571 1.00 0.00 C ATOM 696 OG1 THR A 46 39.015 -29.984 -15.300 1.00 0.00 O ATOM 697 CG2 THR A 46 39.060 -27.833 -14.236 1.00 0.00 C ATOM 0 H THR A 46 36.501 -26.679 -15.734 1.00 0.00 H new ATOM 0 HA THR A 46 38.249 -27.408 -17.025 1.00 0.00 H new ATOM 0 HB THR A 46 39.915 -28.321 -16.144 1.00 0.00 H new ATOM 0 HG1 THR A 46 38.104 -30.265 -15.074 1.00 0.00 H new ATOM 0 HG21 THR A 46 39.939 -28.136 -13.666 1.00 0.00 H new ATOM 0 HG22 THR A 46 39.104 -26.761 -14.427 1.00 0.00 H new ATOM 0 HG23 THR A 46 38.160 -28.063 -13.665 1.00 0.00 H new ATOM 705 N TYR A 47 37.878 -30.379 -17.659 1.00 0.00 N ATOM 706 CA TYR A 47 37.268 -31.357 -18.569 1.00 0.00 C ATOM 707 C TYR A 47 37.639 -32.801 -18.184 1.00 0.00 C ATOM 708 O TYR A 47 36.933 -33.439 -17.403 1.00 0.00 O ATOM 709 CB TYR A 47 37.501 -31.062 -20.062 1.00 0.00 C ATOM 710 CG TYR A 47 36.243 -30.541 -20.774 1.00 0.00 C ATOM 711 CD1 TYR A 47 35.171 -31.355 -20.969 1.00 0.00 C ATOM 712 CD2 TYR A 47 36.166 -29.239 -21.160 1.00 0.00 C ATOM 713 CE1 TYR A 47 33.946 -30.801 -21.209 1.00 0.00 C ATOM 714 CE2 TYR A 47 34.945 -28.684 -21.406 1.00 0.00 C ATOM 715 CZ TYR A 47 33.840 -29.469 -21.430 1.00 0.00 C ATOM 716 OH TYR A 47 32.613 -28.911 -21.682 1.00 0.00 O ATOM 0 H TYR A 47 38.738 -30.675 -17.197 1.00 0.00 H new ATOM 0 HA TYR A 47 36.191 -31.250 -18.436 1.00 0.00 H new ATOM 0 HB2 TYR A 47 38.299 -30.326 -20.161 1.00 0.00 H new ATOM 0 HB3 TYR A 47 37.842 -31.971 -20.557 1.00 0.00 H new ATOM 0 HD1 TYR A 47 35.287 -32.428 -20.934 1.00 0.00 H new ATOM 0 HD2 TYR A 47 37.064 -28.650 -21.271 1.00 0.00 H new ATOM 0 HE1 TYR A 47 33.064 -31.424 -21.223 1.00 0.00 H new ATOM 0 HE2 TYR A 47 34.858 -27.622 -21.581 1.00 0.00 H new ATOM 0 HH TYR A 47 32.097 -29.506 -22.265 1.00 0.00 H new ATOM 726 N THR A 48 38.733 -33.347 -18.729 1.00 0.00 N ATOM 727 CA THR A 48 39.089 -34.724 -18.340 1.00 0.00 C ATOM 728 C THR A 48 40.596 -34.945 -18.122 1.00 0.00 C ATOM 729 O THR A 48 41.003 -35.598 -17.161 1.00 0.00 O ATOM 730 CB THR A 48 38.522 -35.764 -19.322 1.00 0.00 C ATOM 731 OG1 THR A 48 37.123 -35.552 -19.470 1.00 0.00 O ATOM 732 CG2 THR A 48 38.748 -37.192 -18.820 1.00 0.00 C ATOM 0 H THR A 48 39.355 -32.895 -19.399 1.00 0.00 H new ATOM 0 HA THR A 48 38.617 -34.870 -17.368 1.00 0.00 H new ATOM 0 HB THR A 48 39.038 -35.645 -20.275 1.00 0.00 H new ATOM 0 HG1 THR A 48 36.757 -36.211 -20.096 1.00 0.00 H new ATOM 0 HG21 THR A 48 38.335 -37.900 -19.539 1.00 0.00 H new ATOM 0 HG22 THR A 48 39.817 -37.373 -18.706 1.00 0.00 H new ATOM 0 HG23 THR A 48 38.253 -37.322 -17.857 1.00 0.00 H new ATOM 740 N LYS A 49 41.436 -34.418 -19.010 1.00 0.00 N ATOM 741 CA LYS A 49 42.870 -34.751 -18.906 1.00 0.00 C ATOM 742 C LYS A 49 43.789 -33.641 -19.448 1.00 0.00 C ATOM 743 O LYS A 49 43.352 -32.525 -19.728 1.00 0.00 O ATOM 744 CB LYS A 49 43.160 -36.125 -19.542 1.00 0.00 C ATOM 745 CG LYS A 49 42.633 -36.207 -20.982 1.00 0.00 C ATOM 746 CD LYS A 49 43.082 -37.500 -21.667 1.00 0.00 C ATOM 747 CE LYS A 49 42.307 -37.710 -22.971 1.00 0.00 C ATOM 748 NZ LYS A 49 43.031 -38.651 -23.844 1.00 0.00 N ATOM 0 H LYS A 49 41.178 -33.792 -19.773 1.00 0.00 H new ATOM 0 HA LYS A 49 43.107 -34.821 -17.844 1.00 0.00 H new ATOM 0 HB2 LYS A 49 44.234 -36.309 -19.537 1.00 0.00 H new ATOM 0 HB3 LYS A 49 42.699 -36.909 -18.941 1.00 0.00 H new ATOM 0 HG2 LYS A 49 41.544 -36.155 -20.976 1.00 0.00 H new ATOM 0 HG3 LYS A 49 42.990 -35.349 -21.551 1.00 0.00 H new ATOM 0 HD2 LYS A 49 44.151 -37.457 -21.875 1.00 0.00 H new ATOM 0 HD3 LYS A 49 42.921 -38.347 -21.000 1.00 0.00 H new ATOM 0 HE2 LYS A 49 41.311 -38.096 -22.753 1.00 0.00 H new ATOM 0 HE3 LYS A 49 42.174 -36.756 -23.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 42.717 -38.524 -24.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 44.053 -38.468 -23.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 42.835 -39.626 -23.541 1.00 0.00 H new ATOM 762 N ARG A 50 45.082 -33.942 -19.587 1.00 0.00 N ATOM 763 CA ARG A 50 46.013 -32.937 -20.136 1.00 0.00 C ATOM 764 C ARG A 50 45.729 -32.549 -21.601 1.00 0.00 C ATOM 765 O ARG A 50 46.222 -31.538 -22.100 1.00 0.00 O ATOM 766 CB ARG A 50 47.486 -33.369 -20.002 1.00 0.00 C ATOM 767 CG ARG A 50 48.159 -32.784 -18.754 1.00 0.00 C ATOM 768 CD ARG A 50 47.571 -33.369 -17.470 1.00 0.00 C ATOM 769 NE ARG A 50 48.396 -32.984 -16.317 1.00 0.00 N ATOM 770 CZ ARG A 50 47.891 -32.162 -15.406 1.00 0.00 C ATOM 771 NH1 ARG A 50 47.191 -31.102 -15.765 1.00 0.00 N ATOM 772 NH2 ARG A 50 48.113 -32.388 -14.129 1.00 0.00 N ATOM 0 H ARG A 50 45.503 -34.837 -19.339 1.00 0.00 H new ATOM 0 HA ARG A 50 45.837 -32.052 -19.524 1.00 0.00 H new ATOM 0 HB2 ARG A 50 47.540 -34.457 -19.964 1.00 0.00 H new ATOM 0 HB3 ARG A 50 48.036 -33.054 -20.889 1.00 0.00 H new ATOM 0 HG2 ARG A 50 49.230 -32.986 -18.789 1.00 0.00 H new ATOM 0 HG3 ARG A 50 48.039 -31.701 -18.749 1.00 0.00 H new ATOM 0 HD2 ARG A 50 46.550 -33.012 -17.332 1.00 0.00 H new ATOM 0 HD3 ARG A 50 47.521 -34.455 -17.545 1.00 0.00 H new ATOM 0 HE ARG A 50 49.345 -33.344 -16.218 1.00 0.00 H new ATOM 0 HH11 ARG A 50 47.032 -30.906 -16.753 1.00 0.00 H new ATOM 0 HH12 ARG A 50 46.809 -30.479 -15.054 1.00 0.00 H new ATOM 0 HH21 ARG A 50 48.671 -33.192 -13.843 1.00 0.00 H new ATOM 0 HH22 ARG A 50 47.727 -31.759 -13.425 1.00 0.00 H new ATOM 786 N GLU A 51 44.967 -33.366 -22.310 1.00 0.00 N ATOM 787 CA GLU A 51 44.591 -32.986 -23.675 1.00 0.00 C ATOM 788 C GLU A 51 43.546 -31.848 -23.706 1.00 0.00 C ATOM 789 O GLU A 51 43.529 -31.014 -24.613 1.00 0.00 O ATOM 790 CB GLU A 51 44.194 -34.211 -24.502 1.00 0.00 C ATOM 791 CG GLU A 51 45.396 -35.127 -24.768 1.00 0.00 C ATOM 792 CD GLU A 51 44.945 -36.545 -25.074 1.00 0.00 C ATOM 793 OE1 GLU A 51 44.108 -36.729 -25.982 1.00 0.00 O ATOM 794 OE2 GLU A 51 45.412 -37.485 -24.397 1.00 0.00 O ATOM 0 H GLU A 51 44.605 -34.263 -21.986 1.00 0.00 H new ATOM 0 HA GLU A 51 45.474 -32.566 -24.157 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.419 -34.770 -23.977 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.766 -33.887 -25.451 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.976 -34.738 -25.605 1.00 0.00 H new ATOM 0 HG3 GLU A 51 46.054 -35.131 -23.899 1.00 0.00 H new ATOM 801 N THR A 52 42.674 -31.781 -22.702 1.00 0.00 N ATOM 802 CA THR A 52 41.861 -30.569 -22.575 1.00 0.00 C ATOM 803 C THR A 52 42.719 -29.367 -22.118 1.00 0.00 C ATOM 804 O THR A 52 42.396 -28.208 -22.369 1.00 0.00 O ATOM 805 CB THR A 52 40.597 -30.742 -21.720 1.00 0.00 C ATOM 806 OG1 THR A 52 40.379 -32.119 -21.442 1.00 0.00 O ATOM 807 CG2 THR A 52 39.363 -30.217 -22.457 1.00 0.00 C ATOM 0 H THR A 52 42.515 -32.504 -22.001 1.00 0.00 H new ATOM 0 HA THR A 52 41.486 -30.357 -23.576 1.00 0.00 H new ATOM 0 HB THR A 52 40.747 -30.181 -20.798 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.154 -32.589 -22.272 1.00 0.00 H new ATOM 0 HG21 THR A 52 38.481 -30.351 -21.831 1.00 0.00 H new ATOM 0 HG22 THR A 52 39.494 -29.158 -22.677 1.00 0.00 H new ATOM 0 HG23 THR A 52 39.234 -30.768 -23.388 1.00 0.00 H new ATOM 815 N GLU A 53 43.829 -29.635 -21.435 1.00 0.00 N ATOM 816 CA GLU A 53 44.856 -28.583 -21.300 1.00 0.00 C ATOM 817 C GLU A 53 45.318 -28.098 -22.688 1.00 0.00 C ATOM 818 O GLU A 53 45.560 -26.911 -22.908 1.00 0.00 O ATOM 819 CB GLU A 53 46.075 -29.009 -20.468 1.00 0.00 C ATOM 820 CG GLU A 53 46.103 -28.339 -19.090 1.00 0.00 C ATOM 821 CD GLU A 53 47.482 -28.457 -18.462 1.00 0.00 C ATOM 822 OE1 GLU A 53 47.755 -29.481 -17.801 1.00 0.00 O ATOM 823 OE2 GLU A 53 48.300 -27.525 -18.625 1.00 0.00 O ATOM 0 H GLU A 53 44.044 -30.524 -20.983 1.00 0.00 H new ATOM 0 HA GLU A 53 44.376 -27.769 -20.757 1.00 0.00 H new ATOM 0 HB2 GLU A 53 46.066 -30.092 -20.343 1.00 0.00 H new ATOM 0 HB3 GLU A 53 46.987 -28.758 -21.010 1.00 0.00 H new ATOM 0 HG2 GLU A 53 45.831 -27.288 -19.186 1.00 0.00 H new ATOM 0 HG3 GLU A 53 45.361 -28.803 -18.440 1.00 0.00 H new ATOM 830 N ALA A 54 45.467 -29.043 -23.620 1.00 0.00 N ATOM 831 CA ALA A 54 45.659 -28.675 -25.032 1.00 0.00 C ATOM 832 C ALA A 54 44.601 -27.675 -25.521 1.00 0.00 C ATOM 833 O ALA A 54 44.920 -26.665 -26.150 1.00 0.00 O ATOM 834 CB ALA A 54 45.665 -29.897 -25.956 1.00 0.00 C ATOM 0 H ALA A 54 45.460 -30.046 -23.434 1.00 0.00 H new ATOM 0 HA ALA A 54 46.638 -28.199 -25.077 1.00 0.00 H new ATOM 0 HB1 ALA A 54 45.810 -29.573 -26.987 1.00 0.00 H new ATOM 0 HB2 ALA A 54 46.476 -30.566 -25.669 1.00 0.00 H new ATOM 0 HB3 ALA A 54 44.714 -30.422 -25.871 1.00 0.00 H new ATOM 840 N ILE A 55 43.326 -27.968 -25.237 1.00 0.00 N ATOM 841 CA ILE A 55 42.265 -26.945 -25.482 1.00 0.00 C ATOM 842 C ILE A 55 42.734 -25.551 -24.990 1.00 0.00 C ATOM 843 O ILE A 55 42.863 -24.574 -25.743 1.00 0.00 O ATOM 844 CB ILE A 55 40.890 -27.192 -24.768 1.00 0.00 C ATOM 845 CG1 ILE A 55 40.058 -28.336 -25.308 1.00 0.00 C ATOM 846 CG2 ILE A 55 40.055 -25.939 -24.833 1.00 0.00 C ATOM 847 CD1 ILE A 55 38.657 -28.416 -24.687 1.00 0.00 C ATOM 0 H ILE A 55 42.999 -28.856 -24.855 1.00 0.00 H new ATOM 0 HA ILE A 55 42.108 -27.010 -26.559 1.00 0.00 H new ATOM 0 HB ILE A 55 41.161 -27.470 -23.749 1.00 0.00 H new ATOM 0 HG12 ILE A 55 39.963 -28.228 -26.388 1.00 0.00 H new ATOM 0 HG13 ILE A 55 40.582 -29.274 -25.126 1.00 0.00 H new ATOM 0 HG21 ILE A 55 39.100 -26.112 -24.337 1.00 0.00 H new ATOM 0 HG22 ILE A 55 40.581 -25.125 -24.334 1.00 0.00 H new ATOM 0 HG23 ILE A 55 39.879 -25.673 -25.875 1.00 0.00 H new ATOM 0 HD11 ILE A 55 38.115 -29.258 -25.119 1.00 0.00 H new ATOM 0 HD12 ILE A 55 38.744 -28.555 -23.609 1.00 0.00 H new ATOM 0 HD13 ILE A 55 38.115 -27.492 -24.891 1.00 0.00 H new ATOM 859 N MET A 56 42.968 -25.510 -23.682 1.00 0.00 N ATOM 860 CA MET A 56 43.267 -24.245 -22.997 1.00 0.00 C ATOM 861 C MET A 56 44.466 -23.477 -23.557 1.00 0.00 C ATOM 862 O MET A 56 44.484 -22.247 -23.599 1.00 0.00 O ATOM 863 CB MET A 56 43.466 -24.510 -21.496 1.00 0.00 C ATOM 864 CG MET A 56 42.213 -25.134 -20.865 1.00 0.00 C ATOM 865 SD MET A 56 42.675 -26.312 -19.572 1.00 0.00 S ATOM 866 CE MET A 56 41.241 -27.423 -19.620 1.00 0.00 C ATOM 0 H MET A 56 42.958 -26.329 -23.074 1.00 0.00 H new ATOM 0 HA MET A 56 42.406 -23.600 -23.172 1.00 0.00 H new ATOM 0 HB2 MET A 56 44.317 -25.176 -21.352 1.00 0.00 H new ATOM 0 HB3 MET A 56 43.703 -23.575 -20.988 1.00 0.00 H new ATOM 0 HG2 MET A 56 41.582 -24.351 -20.444 1.00 0.00 H new ATOM 0 HG3 MET A 56 41.625 -25.639 -21.632 1.00 0.00 H new ATOM 0 HE1 MET A 56 41.583 -28.457 -19.665 1.00 0.00 H new ATOM 0 HE2 MET A 56 40.639 -27.279 -18.723 1.00 0.00 H new ATOM 0 HE3 MET A 56 40.638 -27.201 -20.501 1.00 0.00 H new ATOM 876 N LYS A 57 45.481 -24.212 -23.980 1.00 0.00 N ATOM 877 CA LYS A 57 46.671 -23.558 -24.540 1.00 0.00 C ATOM 878 C LYS A 57 46.507 -23.115 -26.005 1.00 0.00 C ATOM 879 O LYS A 57 47.114 -22.133 -26.441 1.00 0.00 O ATOM 880 CB LYS A 57 47.940 -24.415 -24.384 1.00 0.00 C ATOM 881 CG LYS A 57 48.686 -24.123 -23.071 1.00 0.00 C ATOM 882 CD LYS A 57 47.969 -24.734 -21.863 1.00 0.00 C ATOM 883 CE LYS A 57 48.751 -24.464 -20.577 1.00 0.00 C ATOM 884 NZ LYS A 57 48.018 -25.006 -19.418 1.00 0.00 N ATOM 0 H LYS A 57 45.516 -25.231 -23.952 1.00 0.00 H new ATOM 0 HA LYS A 57 46.788 -22.652 -23.945 1.00 0.00 H new ATOM 0 HB2 LYS A 57 47.669 -25.470 -24.418 1.00 0.00 H new ATOM 0 HB3 LYS A 57 48.606 -24.230 -25.226 1.00 0.00 H new ATOM 0 HG2 LYS A 57 49.699 -24.521 -23.132 1.00 0.00 H new ATOM 0 HG3 LYS A 57 48.774 -23.045 -22.935 1.00 0.00 H new ATOM 0 HD2 LYS A 57 46.966 -24.316 -21.779 1.00 0.00 H new ATOM 0 HD3 LYS A 57 47.855 -25.808 -22.007 1.00 0.00 H new ATOM 0 HE2 LYS A 57 49.739 -24.921 -20.639 1.00 0.00 H new ATOM 0 HE3 LYS A 57 48.903 -23.392 -20.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 48.454 -24.661 -18.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 47.026 -24.695 -19.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 48.056 -26.045 -19.438 1.00 0.00 H new ATOM 898 N GLU A 58 45.683 -23.820 -26.776 1.00 0.00 N ATOM 899 CA GLU A 58 45.553 -23.462 -28.199 1.00 0.00 C ATOM 900 C GLU A 58 44.564 -22.315 -28.495 1.00 0.00 C ATOM 901 O GLU A 58 44.674 -21.642 -29.520 1.00 0.00 O ATOM 902 CB GLU A 58 45.293 -24.685 -29.092 1.00 0.00 C ATOM 903 CG GLU A 58 43.823 -25.127 -29.074 1.00 0.00 C ATOM 904 CD GLU A 58 43.581 -26.266 -30.051 1.00 0.00 C ATOM 905 OE1 GLU A 58 43.817 -26.078 -31.264 1.00 0.00 O ATOM 906 OE2 GLU A 58 43.147 -27.353 -29.612 1.00 0.00 O ATOM 0 H GLU A 58 45.116 -24.609 -26.465 1.00 0.00 H new ATOM 0 HA GLU A 58 46.532 -23.061 -28.461 1.00 0.00 H new ATOM 0 HB2 GLU A 58 45.586 -24.452 -30.116 1.00 0.00 H new ATOM 0 HB3 GLU A 58 45.921 -25.512 -28.761 1.00 0.00 H new ATOM 0 HG2 GLU A 58 43.547 -25.442 -28.068 1.00 0.00 H new ATOM 0 HG3 GLU A 58 43.183 -24.282 -29.330 1.00 0.00 H new ATOM 913 N ALA A 59 43.586 -22.093 -27.610 1.00 0.00 N ATOM 914 CA ALA A 59 42.614 -21.015 -27.866 1.00 0.00 C ATOM 915 C ALA A 59 43.238 -19.670 -28.292 1.00 0.00 C ATOM 916 O ALA A 59 43.158 -19.274 -29.455 1.00 0.00 O ATOM 917 CB ALA A 59 41.678 -20.820 -26.667 1.00 0.00 C ATOM 0 H ALA A 59 43.445 -22.617 -26.746 1.00 0.00 H new ATOM 0 HA ALA A 59 42.039 -21.354 -28.727 1.00 0.00 H new ATOM 0 HB1 ALA A 59 40.972 -20.019 -26.883 1.00 0.00 H new ATOM 0 HB2 ALA A 59 41.132 -21.744 -26.478 1.00 0.00 H new ATOM 0 HB3 ALA A 59 42.265 -20.558 -25.786 1.00 0.00 H new ATOM 923 N ARG A 60 43.873 -18.972 -27.356 1.00 0.00 N ATOM 924 CA ARG A 60 44.487 -17.686 -27.718 1.00 0.00 C ATOM 925 C ARG A 60 45.988 -17.833 -27.942 1.00 0.00 C ATOM 926 O ARG A 60 46.813 -17.573 -27.064 1.00 0.00 O ATOM 927 CB ARG A 60 44.111 -16.586 -26.726 1.00 0.00 C ATOM 928 CG ARG A 60 44.882 -15.267 -26.926 1.00 0.00 C ATOM 929 CD ARG A 60 44.986 -14.478 -25.617 1.00 0.00 C ATOM 930 NE ARG A 60 43.941 -13.442 -25.556 1.00 0.00 N ATOM 931 CZ ARG A 60 44.162 -12.316 -24.881 1.00 0.00 C ATOM 932 NH1 ARG A 60 45.050 -12.275 -23.903 1.00 0.00 N ATOM 933 NH2 ARG A 60 43.472 -11.236 -25.176 1.00 0.00 N ATOM 0 H ARG A 60 43.978 -19.253 -26.381 1.00 0.00 H new ATOM 0 HA ARG A 60 44.077 -17.365 -28.675 1.00 0.00 H new ATOM 0 HB2 ARG A 60 43.043 -16.386 -26.810 1.00 0.00 H new ATOM 0 HB3 ARG A 60 44.289 -16.948 -25.714 1.00 0.00 H new ATOM 0 HG2 ARG A 60 45.882 -15.482 -27.304 1.00 0.00 H new ATOM 0 HG3 ARG A 60 44.380 -14.660 -27.680 1.00 0.00 H new ATOM 0 HD2 ARG A 60 44.886 -15.155 -24.768 1.00 0.00 H new ATOM 0 HD3 ARG A 60 45.970 -14.015 -25.541 1.00 0.00 H new ATOM 0 HE ARG A 60 43.050 -13.587 -26.030 1.00 0.00 H new ATOM 0 HH11 ARG A 60 45.577 -13.113 -23.657 1.00 0.00 H new ATOM 0 HH12 ARG A 60 45.209 -11.405 -23.394 1.00 0.00 H new ATOM 0 HH21 ARG A 60 42.773 -11.264 -25.918 1.00 0.00 H new ATOM 0 HH22 ARG A 60 43.636 -10.370 -24.663 1.00 0.00 H new ATOM 1031 N LYS A 67 44.527 -12.609 -30.116 1.00 0.00 N ATOM 1032 CA LYS A 67 44.102 -13.965 -30.502 1.00 0.00 C ATOM 1033 C LYS A 67 42.921 -14.442 -29.661 1.00 0.00 C ATOM 1034 O LYS A 67 42.857 -15.584 -29.213 1.00 0.00 O ATOM 1035 CB LYS A 67 45.270 -14.966 -30.563 1.00 0.00 C ATOM 1036 CG LYS A 67 45.189 -15.874 -31.803 1.00 0.00 C ATOM 1037 CD LYS A 67 44.048 -16.893 -31.677 1.00 0.00 C ATOM 1038 CE LYS A 67 44.174 -18.017 -32.707 1.00 0.00 C ATOM 1039 NZ LYS A 67 43.325 -19.156 -32.308 1.00 0.00 N ATOM 0 HA LYS A 67 43.739 -13.909 -31.528 1.00 0.00 H new ATOM 0 HB2 LYS A 67 46.214 -14.421 -30.574 1.00 0.00 H new ATOM 0 HB3 LYS A 67 45.268 -15.581 -29.663 1.00 0.00 H new ATOM 0 HG2 LYS A 67 45.037 -15.264 -32.693 1.00 0.00 H new ATOM 0 HG3 LYS A 67 46.135 -16.399 -31.934 1.00 0.00 H new ATOM 0 HD2 LYS A 67 44.049 -17.318 -30.673 1.00 0.00 H new ATOM 0 HD3 LYS A 67 43.092 -16.386 -31.807 1.00 0.00 H new ATOM 0 HE2 LYS A 67 43.876 -17.656 -33.691 1.00 0.00 H new ATOM 0 HE3 LYS A 67 45.213 -18.336 -32.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 43.740 -20.040 -32.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 43.264 -19.196 -31.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 42.372 -19.035 -32.707 1.00 0.00 H new ATOM 1053 N ASN A 68 41.934 -13.579 -29.498 1.00 0.00 N ATOM 1054 CA ASN A 68 40.772 -14.009 -28.729 1.00 0.00 C ATOM 1055 C ASN A 68 39.854 -14.798 -29.638 1.00 0.00 C ATOM 1056 O ASN A 68 39.658 -14.455 -30.807 1.00 0.00 O ATOM 1057 CB ASN A 68 39.960 -12.908 -28.026 1.00 0.00 C ATOM 1058 CG ASN A 68 40.667 -11.546 -27.981 1.00 0.00 C ATOM 1059 OD1 ASN A 68 41.136 -11.101 -26.937 1.00 0.00 O ATOM 1060 ND2 ASN A 68 40.752 -10.864 -29.110 1.00 0.00 N ATOM 0 H ASN A 68 41.905 -12.627 -29.863 1.00 0.00 H new ATOM 0 HA ASN A 68 41.182 -14.604 -27.913 1.00 0.00 H new ATOM 0 HB2 ASN A 68 39.004 -12.793 -28.537 1.00 0.00 H new ATOM 0 HB3 ASN A 68 39.741 -13.226 -27.007 1.00 0.00 H new ATOM 0 HD21 ASN A 68 41.212 -9.954 -29.123 1.00 0.00 H new ATOM 0 HD22 ASN A 68 40.357 -11.248 -29.969 1.00 0.00 H new ATOM 1067 N ILE A 69 39.279 -15.861 -29.115 1.00 0.00 N ATOM 1068 CA ILE A 69 38.508 -16.716 -30.011 1.00 0.00 C ATOM 1069 C ILE A 69 37.050 -16.301 -30.147 1.00 0.00 C ATOM 1070 O ILE A 69 36.220 -16.394 -29.243 1.00 0.00 O ATOM 1071 CB ILE A 69 38.695 -18.205 -29.798 1.00 0.00 C ATOM 1072 CG1 ILE A 69 38.159 -18.665 -28.436 1.00 0.00 C ATOM 1073 CG2 ILE A 69 40.184 -18.554 -29.931 1.00 0.00 C ATOM 1074 CD1 ILE A 69 38.368 -20.165 -28.221 1.00 0.00 C ATOM 0 H ILE A 69 39.320 -16.148 -28.137 1.00 0.00 H new ATOM 0 HA ILE A 69 38.957 -16.535 -30.987 1.00 0.00 H new ATOM 0 HB ILE A 69 38.121 -18.731 -30.561 1.00 0.00 H new ATOM 0 HG12 ILE A 69 38.660 -18.111 -27.642 1.00 0.00 H new ATOM 0 HG13 ILE A 69 37.096 -18.432 -28.366 1.00 0.00 H new ATOM 0 HG21 ILE A 69 40.322 -19.624 -29.778 1.00 0.00 H new ATOM 0 HG22 ILE A 69 40.534 -18.281 -30.927 1.00 0.00 H new ATOM 0 HG23 ILE A 69 40.755 -18.004 -29.183 1.00 0.00 H new ATOM 0 HD11 ILE A 69 37.975 -20.451 -27.245 1.00 0.00 H new ATOM 0 HD12 ILE A 69 37.845 -20.720 -29.000 1.00 0.00 H new ATOM 0 HD13 ILE A 69 39.433 -20.394 -28.265 1.00 0.00 H new ATOM 1086 N GLY A 70 36.777 -15.844 -31.343 1.00 0.00 N ATOM 1087 CA GLY A 70 35.461 -15.282 -31.637 1.00 0.00 C ATOM 1088 C GLY A 70 34.378 -16.331 -31.892 1.00 0.00 C ATOM 1089 O GLY A 70 34.434 -17.452 -31.383 1.00 0.00 O ATOM 0 H GLY A 70 37.430 -15.844 -32.126 1.00 0.00 H new ATOM 0 HA2 GLY A 70 35.152 -14.652 -30.803 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.540 -14.637 -32.512 1.00 0.00 H new ATOM 1093 N PRO A 71 33.335 -15.913 -32.627 1.00 0.00 N ATOM 1094 CA PRO A 71 32.110 -16.719 -32.753 1.00 0.00 C ATOM 1095 C PRO A 71 32.293 -18.244 -32.739 1.00 0.00 C ATOM 1096 O PRO A 71 31.663 -18.949 -31.951 1.00 0.00 O ATOM 1097 CB PRO A 71 31.460 -16.254 -34.062 1.00 0.00 C ATOM 1098 CG PRO A 71 32.380 -15.211 -34.701 1.00 0.00 C ATOM 1099 CD PRO A 71 33.577 -15.035 -33.774 1.00 0.00 C ATOM 0 HA PRO A 71 31.495 -16.553 -31.868 1.00 0.00 H new ATOM 0 HB2 PRO A 71 31.314 -17.098 -34.736 1.00 0.00 H new ATOM 0 HB3 PRO A 71 30.476 -15.827 -33.868 1.00 0.00 H new ATOM 0 HG2 PRO A 71 32.704 -15.538 -35.689 1.00 0.00 H new ATOM 0 HG3 PRO A 71 31.855 -14.265 -34.834 1.00 0.00 H new ATOM 0 HD2 PRO A 71 34.505 -15.302 -34.280 1.00 0.00 H new ATOM 0 HD3 PRO A 71 33.675 -13.997 -33.456 1.00 0.00 H new ATOM 1107 N GLU A 72 33.144 -18.762 -33.613 1.00 0.00 N ATOM 1108 CA GLU A 72 33.143 -20.216 -33.823 1.00 0.00 C ATOM 1109 C GLU A 72 34.266 -21.036 -33.152 1.00 0.00 C ATOM 1110 O GLU A 72 34.004 -22.132 -32.663 1.00 0.00 O ATOM 1111 CB GLU A 72 32.967 -20.566 -35.308 1.00 0.00 C ATOM 1112 CG GLU A 72 31.497 -20.841 -35.673 1.00 0.00 C ATOM 1113 CD GLU A 72 30.677 -19.561 -35.738 1.00 0.00 C ATOM 1114 OE1 GLU A 72 30.848 -18.787 -36.701 1.00 0.00 O ATOM 1115 OE2 GLU A 72 29.852 -19.328 -34.830 1.00 0.00 O ATOM 0 H GLU A 72 33.817 -18.234 -34.168 1.00 0.00 H new ATOM 0 HA GLU A 72 32.266 -20.546 -33.266 1.00 0.00 H new ATOM 0 HB2 GLU A 72 33.344 -19.746 -35.919 1.00 0.00 H new ATOM 0 HB3 GLU A 72 33.568 -21.443 -35.546 1.00 0.00 H new ATOM 0 HG2 GLU A 72 31.452 -21.350 -36.636 1.00 0.00 H new ATOM 0 HG3 GLU A 72 31.060 -21.514 -34.936 1.00 0.00 H new ATOM 1122 N GLU A 73 35.518 -20.556 -33.130 1.00 0.00 N ATOM 1123 CA GLU A 73 36.601 -21.393 -32.572 1.00 0.00 C ATOM 1124 C GLU A 73 36.306 -21.966 -31.175 1.00 0.00 C ATOM 1125 O GLU A 73 36.690 -23.092 -30.858 1.00 0.00 O ATOM 1126 CB GLU A 73 37.968 -20.683 -32.644 1.00 0.00 C ATOM 1127 CG GLU A 73 39.083 -21.377 -31.827 1.00 0.00 C ATOM 1128 CD GLU A 73 40.462 -21.024 -32.367 1.00 0.00 C ATOM 1129 OE1 GLU A 73 40.674 -19.861 -32.772 1.00 0.00 O ATOM 1130 OE2 GLU A 73 41.348 -21.903 -32.369 1.00 0.00 O ATOM 0 H GLU A 73 35.802 -19.638 -33.473 1.00 0.00 H new ATOM 0 HA GLU A 73 36.652 -22.268 -33.219 1.00 0.00 H new ATOM 0 HB2 GLU A 73 38.280 -20.623 -33.687 1.00 0.00 H new ATOM 0 HB3 GLU A 73 37.853 -19.660 -32.286 1.00 0.00 H new ATOM 0 HG2 GLU A 73 39.011 -21.077 -30.781 1.00 0.00 H new ATOM 0 HG3 GLU A 73 38.942 -22.457 -31.859 1.00 0.00 H new ATOM 1137 N TRP A 74 35.565 -21.229 -30.359 1.00 0.00 N ATOM 1138 CA TRP A 74 35.257 -21.742 -29.021 1.00 0.00 C ATOM 1139 C TRP A 74 34.238 -22.899 -29.026 1.00 0.00 C ATOM 1140 O TRP A 74 34.451 -23.912 -28.360 1.00 0.00 O ATOM 1141 CB TRP A 74 34.992 -20.569 -28.054 1.00 0.00 C ATOM 1142 CG TRP A 74 34.350 -20.907 -26.714 1.00 0.00 C ATOM 1143 CD1 TRP A 74 33.052 -20.437 -26.527 1.00 0.00 C ATOM 1144 CD2 TRP A 74 35.047 -20.580 -25.566 1.00 0.00 C ATOM 1145 NE1 TRP A 74 32.948 -19.709 -25.341 1.00 0.00 N ATOM 1146 CE2 TRP A 74 34.197 -19.838 -24.745 1.00 0.00 C ATOM 1147 CE3 TRP A 74 35.939 -21.446 -25.002 1.00 0.00 C ATOM 1148 CZ2 TRP A 74 34.295 -19.951 -23.395 1.00 0.00 C ATOM 1149 CZ3 TRP A 74 36.011 -21.541 -23.647 1.00 0.00 C ATOM 1150 CH2 TRP A 74 35.137 -20.863 -22.855 1.00 0.00 C ATOM 0 H TRP A 74 35.178 -20.312 -30.581 1.00 0.00 H new ATOM 0 HA TRP A 74 36.132 -22.248 -28.614 1.00 0.00 H new ATOM 0 HB2 TRP A 74 35.941 -20.071 -27.858 1.00 0.00 H new ATOM 0 HB3 TRP A 74 34.353 -19.848 -28.563 1.00 0.00 H new ATOM 0 HD1 TRP A 74 32.234 -20.613 -27.210 1.00 0.00 H new ATOM 0 HE1 TRP A 74 32.138 -19.198 -24.991 1.00 0.00 H new ATOM 0 HE3 TRP A 74 36.581 -22.050 -25.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 33.703 -19.315 -22.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 36.770 -22.162 -23.195 1.00 0.00 H new ATOM 0 HH2 TRP A 74 35.115 -21.053 -21.792 1.00 0.00 H new ATOM 1161 N LEU A 75 33.167 -22.813 -29.820 1.00 0.00 N ATOM 1162 CA LEU A 75 32.286 -23.996 -29.925 1.00 0.00 C ATOM 1163 C LEU A 75 32.850 -25.093 -30.816 1.00 0.00 C ATOM 1164 O LEU A 75 32.738 -26.268 -30.488 1.00 0.00 O ATOM 1165 CB LEU A 75 30.833 -23.758 -30.347 1.00 0.00 C ATOM 1166 CG LEU A 75 29.882 -24.662 -29.530 1.00 0.00 C ATOM 1167 CD1 LEU A 75 28.499 -24.113 -29.604 1.00 0.00 C ATOM 1168 CD2 LEU A 75 29.766 -26.114 -30.028 1.00 0.00 C ATOM 0 H LEU A 75 32.894 -21.998 -30.369 1.00 0.00 H new ATOM 0 HA LEU A 75 32.262 -24.306 -28.880 1.00 0.00 H new ATOM 0 HB2 LEU A 75 30.570 -22.711 -30.195 1.00 0.00 H new ATOM 0 HB3 LEU A 75 30.718 -23.965 -31.411 1.00 0.00 H new ATOM 0 HG LEU A 75 30.313 -24.673 -28.529 1.00 0.00 H new ATOM 0 HD11 LEU A 75 27.824 -24.747 -29.029 1.00 0.00 H new ATOM 0 HD12 LEU A 75 28.486 -23.103 -29.193 1.00 0.00 H new ATOM 0 HD13 LEU A 75 28.173 -24.086 -30.644 1.00 0.00 H new ATOM 0 HD21 LEU A 75 29.076 -26.664 -29.388 1.00 0.00 H new ATOM 0 HD22 LEU A 75 29.393 -26.119 -31.052 1.00 0.00 H new ATOM 0 HD23 LEU A 75 30.747 -26.589 -29.997 1.00 0.00 H new ATOM 1180 N THR A 76 33.394 -24.757 -31.979 1.00 0.00 N ATOM 1181 CA THR A 76 33.992 -25.814 -32.796 1.00 0.00 C ATOM 1182 C THR A 76 35.093 -26.582 -32.059 1.00 0.00 C ATOM 1183 O THR A 76 35.201 -27.802 -32.161 1.00 0.00 O ATOM 1184 CB THR A 76 34.475 -25.315 -34.153 1.00 0.00 C ATOM 1185 OG1 THR A 76 33.420 -24.611 -34.798 1.00 0.00 O ATOM 1186 CG2 THR A 76 35.680 -24.389 -34.026 1.00 0.00 C ATOM 0 H THR A 76 33.436 -23.814 -32.366 1.00 0.00 H new ATOM 0 HA THR A 76 33.184 -26.520 -32.988 1.00 0.00 H new ATOM 0 HB THR A 76 34.776 -26.185 -34.737 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.728 -24.287 -35.670 1.00 0.00 H new ATOM 0 HG21 THR A 76 35.990 -24.058 -35.017 1.00 0.00 H new ATOM 0 HG22 THR A 76 35.411 -23.523 -33.421 1.00 0.00 H new ATOM 0 HG23 THR A 76 36.501 -24.924 -33.549 1.00 0.00 H new ATOM 1194 N LEU A 77 35.918 -25.864 -31.307 1.00 0.00 N ATOM 1195 CA LEU A 77 36.865 -26.548 -30.437 1.00 0.00 C ATOM 1196 C LEU A 77 36.165 -27.399 -29.365 1.00 0.00 C ATOM 1197 O LEU A 77 36.530 -28.550 -29.124 1.00 0.00 O ATOM 1198 CB LEU A 77 37.855 -25.557 -29.816 1.00 0.00 C ATOM 1199 CG LEU A 77 38.811 -26.236 -28.839 1.00 0.00 C ATOM 1200 CD1 LEU A 77 40.178 -25.578 -28.899 1.00 0.00 C ATOM 1201 CD2 LEU A 77 38.285 -26.108 -27.421 1.00 0.00 C ATOM 0 H LEU A 77 35.952 -24.845 -31.280 1.00 0.00 H new ATOM 0 HA LEU A 77 37.431 -27.241 -31.059 1.00 0.00 H new ATOM 0 HB2 LEU A 77 38.429 -25.074 -30.607 1.00 0.00 H new ATOM 0 HB3 LEU A 77 37.304 -24.772 -29.297 1.00 0.00 H new ATOM 0 HG LEU A 77 38.890 -27.287 -29.117 1.00 0.00 H new ATOM 0 HD11 LEU A 77 40.850 -26.072 -28.197 1.00 0.00 H new ATOM 0 HD12 LEU A 77 40.580 -25.665 -29.909 1.00 0.00 H new ATOM 0 HD13 LEU A 77 40.087 -24.525 -28.634 1.00 0.00 H new ATOM 0 HD21 LEU A 77 38.974 -26.596 -26.732 1.00 0.00 H new ATOM 0 HD22 LEU A 77 38.196 -25.054 -27.160 1.00 0.00 H new ATOM 0 HD23 LEU A 77 37.306 -26.583 -27.352 1.00 0.00 H new ATOM 1213 N CYS A 78 35.135 -26.840 -28.726 1.00 0.00 N ATOM 1214 CA CYS A 78 34.444 -27.602 -27.675 1.00 0.00 C ATOM 1215 C CYS A 78 33.630 -28.769 -28.279 1.00 0.00 C ATOM 1216 O CYS A 78 33.380 -29.759 -27.593 1.00 0.00 O ATOM 1217 CB CYS A 78 33.473 -26.566 -27.086 1.00 0.00 C ATOM 1218 SG CYS A 78 34.262 -25.723 -25.677 1.00 0.00 S ATOM 0 H CYS A 78 34.770 -25.904 -28.904 1.00 0.00 H new ATOM 0 HA CYS A 78 35.133 -28.039 -26.952 1.00 0.00 H new ATOM 0 HB2 CYS A 78 33.194 -25.839 -27.849 1.00 0.00 H new ATOM 0 HB3 CYS A 78 32.555 -27.056 -26.762 1.00 0.00 H new ATOM 0 HG CYS A 78 33.441 -24.846 -25.181 1.00 0.00 H new ATOM 1224 N SER A 79 33.221 -28.697 -29.550 1.00 0.00 N ATOM 1225 CA SER A 79 32.543 -29.856 -30.136 1.00 0.00 C ATOM 1226 C SER A 79 33.533 -30.917 -30.635 1.00 0.00 C ATOM 1227 O SER A 79 33.300 -32.116 -30.491 1.00 0.00 O ATOM 1228 CB SER A 79 31.531 -29.477 -31.213 1.00 0.00 C ATOM 1229 OG SER A 79 30.549 -30.495 -31.310 1.00 0.00 O ATOM 0 H SER A 79 33.339 -27.892 -30.166 1.00 0.00 H new ATOM 0 HA SER A 79 31.971 -30.304 -29.324 1.00 0.00 H new ATOM 0 HB2 SER A 79 31.061 -28.524 -30.968 1.00 0.00 H new ATOM 0 HB3 SER A 79 32.034 -29.348 -32.172 1.00 0.00 H new ATOM 0 HG SER A 79 29.896 -30.255 -32.000 1.00 0.00 H new ATOM 1235 N LYS A 80 34.641 -30.479 -31.240 1.00 0.00 N ATOM 1236 CA LYS A 80 35.719 -31.431 -31.557 1.00 0.00 C ATOM 1237 C LYS A 80 36.208 -32.184 -30.314 1.00 0.00 C ATOM 1238 O LYS A 80 36.411 -33.399 -30.329 1.00 0.00 O ATOM 1239 CB LYS A 80 36.922 -30.760 -32.247 1.00 0.00 C ATOM 1240 CG LYS A 80 36.969 -31.025 -33.758 1.00 0.00 C ATOM 1241 CD LYS A 80 36.181 -29.966 -34.536 1.00 0.00 C ATOM 1242 CE LYS A 80 37.019 -28.708 -34.784 1.00 0.00 C ATOM 1243 NZ LYS A 80 36.378 -27.887 -35.825 1.00 0.00 N ATOM 0 H LYS A 80 34.816 -29.512 -31.513 1.00 0.00 H new ATOM 0 HA LYS A 80 35.276 -32.143 -32.253 1.00 0.00 H new ATOM 0 HB2 LYS A 80 36.881 -29.685 -32.073 1.00 0.00 H new ATOM 0 HB3 LYS A 80 37.844 -31.121 -31.791 1.00 0.00 H new ATOM 0 HG2 LYS A 80 38.005 -31.031 -34.096 1.00 0.00 H new ATOM 0 HG3 LYS A 80 36.560 -32.013 -33.969 1.00 0.00 H new ATOM 0 HD2 LYS A 80 35.856 -30.381 -35.490 1.00 0.00 H new ATOM 0 HD3 LYS A 80 35.281 -29.701 -33.981 1.00 0.00 H new ATOM 0 HE2 LYS A 80 37.115 -28.135 -33.862 1.00 0.00 H new ATOM 0 HE3 LYS A 80 38.027 -28.985 -35.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 36.637 -26.889 -35.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 36.698 -28.203 -36.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 35.345 -27.988 -35.760 1.00 0.00 H new ATOM 1257 N TRP A 81 36.411 -31.449 -29.227 1.00 0.00 N ATOM 1258 CA TRP A 81 36.756 -32.103 -27.959 1.00 0.00 C ATOM 1259 C TRP A 81 35.616 -32.959 -27.392 1.00 0.00 C ATOM 1260 O TRP A 81 35.828 -34.063 -26.890 1.00 0.00 O ATOM 1261 CB TRP A 81 37.203 -31.078 -26.898 1.00 0.00 C ATOM 1262 CG TRP A 81 38.710 -30.946 -26.837 1.00 0.00 C ATOM 1263 CD1 TRP A 81 39.505 -30.817 -27.968 1.00 0.00 C ATOM 1264 CD2 TRP A 81 39.463 -31.547 -25.874 1.00 0.00 C ATOM 1265 NE1 TRP A 81 40.783 -31.369 -27.741 1.00 0.00 N ATOM 1266 CE2 TRP A 81 40.710 -31.828 -26.416 1.00 0.00 C ATOM 1267 CE3 TRP A 81 38.924 -32.355 -24.916 1.00 0.00 C ATOM 1268 CZ2 TRP A 81 41.356 -32.951 -26.013 1.00 0.00 C ATOM 1269 CZ3 TRP A 81 39.656 -33.383 -24.432 1.00 0.00 C ATOM 1270 CH2 TRP A 81 40.883 -33.653 -24.945 1.00 0.00 C ATOM 0 H TRP A 81 36.347 -30.432 -29.190 1.00 0.00 H new ATOM 0 HA TRP A 81 37.586 -32.770 -28.193 1.00 0.00 H new ATOM 0 HB2 TRP A 81 36.763 -30.107 -27.124 1.00 0.00 H new ATOM 0 HB3 TRP A 81 36.826 -31.379 -25.921 1.00 0.00 H new ATOM 0 HD1 TRP A 81 39.189 -30.358 -28.893 1.00 0.00 H new ATOM 0 HE1 TRP A 81 41.572 -31.422 -28.385 1.00 0.00 H new ATOM 0 HE3 TRP A 81 37.924 -32.175 -24.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 42.240 -33.287 -26.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 39.262 -33.993 -23.632 1.00 0.00 H new ATOM 0 HH2 TRP A 81 41.489 -34.430 -24.504 1.00 0.00 H new ATOM 1281 N VAL A 82 34.400 -32.433 -27.453 1.00 0.00 N ATOM 1282 CA VAL A 82 33.272 -33.151 -26.842 1.00 0.00 C ATOM 1283 C VAL A 82 32.524 -34.059 -27.834 1.00 0.00 C ATOM 1284 O VAL A 82 32.692 -35.277 -27.824 1.00 0.00 O ATOM 1285 CB VAL A 82 32.316 -32.203 -26.084 1.00 0.00 C ATOM 1286 CG1 VAL A 82 31.167 -32.979 -25.434 1.00 0.00 C ATOM 1287 CG2 VAL A 82 33.063 -31.435 -24.986 1.00 0.00 C ATOM 0 H VAL A 82 34.166 -31.546 -27.900 1.00 0.00 H new ATOM 0 HA VAL A 82 33.712 -33.818 -26.100 1.00 0.00 H new ATOM 0 HB VAL A 82 31.915 -31.503 -26.817 1.00 0.00 H new ATOM 0 HG11 VAL A 82 30.511 -32.285 -24.908 1.00 0.00 H new ATOM 0 HG12 VAL A 82 30.600 -33.502 -26.204 1.00 0.00 H new ATOM 0 HG13 VAL A 82 31.571 -33.703 -24.727 1.00 0.00 H new ATOM 0 HG21 VAL A 82 32.368 -30.775 -24.467 1.00 0.00 H new ATOM 0 HG22 VAL A 82 33.492 -32.141 -24.275 1.00 0.00 H new ATOM 0 HG23 VAL A 82 33.860 -30.843 -25.435 1.00 0.00 H new