USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 426 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 34 SER OG : rot -61:sc= 0.64 USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= 0.816 USER MOD Single : A 15 GLN : amide:sc= -0.438 K(o=-0.44,f=-3.1!) USER MOD Single : A 19 ASN : amide:sc= -0.302 X(o=-0.3,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.0553 K(o=-0.055,f=-0.95) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.112) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.43) USER MOD Single : A 46 HIS : no HE2:sc= -0.229 K(o=-0.23,f=-0.75) USER MOD Single : A 48 HIS : no HD1:sc= -0.568 X(o=-0.57,f=-0.48) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 106:sc= 0.748 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -0.0807 X(o=-0.081,f=-0.26) USER MOD Single : A 111 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -0.704 K(o=-0.7,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 181 N VAL A 14 -13.059 6.175 -19.850 1.00 0.00 N ATOM 182 CA VAL A 14 -12.442 6.896 -18.743 1.00 0.00 C ATOM 183 C VAL A 14 -11.213 7.670 -19.208 1.00 0.00 C ATOM 184 O VAL A 14 -10.743 8.577 -18.523 1.00 0.00 O ATOM 185 CB VAL A 14 -12.033 5.939 -17.608 1.00 0.00 C ATOM 186 CG1 VAL A 14 -13.247 5.197 -17.072 1.00 0.00 C ATOM 187 CG2 VAL A 14 -10.971 4.962 -18.092 1.00 0.00 C ATOM 0 HA VAL A 14 -13.188 7.596 -18.367 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.609 6.528 -16.795 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.938 4.525 -16.271 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.971 5.915 -16.686 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.703 4.618 -17.875 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.694 4.293 -17.277 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.366 4.377 -18.923 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.092 5.515 -18.423 1.00 0.00 H new ATOM 197 N GLN A 15 -10.698 7.305 -20.379 1.00 0.00 N ATOM 198 CA GLN A 15 -9.523 7.965 -20.935 1.00 0.00 C ATOM 199 C GLN A 15 -9.927 9.029 -21.951 1.00 0.00 C ATOM 200 O GLN A 15 -9.460 10.166 -21.893 1.00 0.00 O ATOM 201 CB GLN A 15 -8.599 6.939 -21.593 1.00 0.00 C ATOM 202 CG GLN A 15 -7.203 7.470 -21.874 1.00 0.00 C ATOM 203 CD GLN A 15 -6.380 7.644 -20.613 1.00 0.00 C ATOM 204 OE1 GLN A 15 -6.901 7.562 -19.501 1.00 0.00 O ATOM 205 NE2 GLN A 15 -5.085 7.885 -20.780 1.00 0.00 N ATOM 0 H GLN A 15 -11.076 6.557 -20.960 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.990 8.452 -20.118 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.523 6.064 -20.947 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.047 6.606 -22.529 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.687 6.786 -22.548 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.280 8.428 -22.388 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.695 7.945 -21.720 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.481 8.010 -19.968 1.00 0.00 H new ATOM 214 N GLY A 16 -10.797 8.650 -22.882 1.00 0.00 N ATOM 215 CA GLY A 16 -11.248 9.583 -23.898 1.00 0.00 C ATOM 216 C GLY A 16 -12.074 10.715 -23.320 1.00 0.00 C ATOM 217 O GLY A 16 -12.022 11.843 -23.812 1.00 0.00 O ATOM 0 H GLY A 16 -11.197 7.714 -22.951 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.383 9.997 -24.417 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.840 9.048 -24.641 1.00 0.00 H new ATOM 221 N ILE A 17 -12.838 10.415 -22.276 1.00 0.00 N ATOM 222 CA ILE A 17 -13.677 11.417 -21.631 1.00 0.00 C ATOM 223 C ILE A 17 -12.881 12.234 -20.620 1.00 0.00 C ATOM 224 O ILE A 17 -13.253 13.359 -20.285 1.00 0.00 O ATOM 225 CB ILE A 17 -14.880 10.770 -20.918 1.00 0.00 C ATOM 226 CG1 ILE A 17 -15.703 9.943 -21.909 1.00 0.00 C ATOM 227 CG2 ILE A 17 -15.745 11.837 -20.265 1.00 0.00 C ATOM 228 CD1 ILE A 17 -16.885 9.244 -21.275 1.00 0.00 C ATOM 0 H ILE A 17 -12.894 9.486 -21.858 1.00 0.00 H new ATOM 0 HA ILE A 17 -14.043 12.076 -22.419 1.00 0.00 H new ATOM 0 HB ILE A 17 -14.507 10.105 -20.139 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -16.061 10.595 -22.705 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -15.057 9.198 -22.373 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.591 11.364 -19.765 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -15.153 12.388 -19.534 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.112 12.525 -21.027 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -17.423 8.677 -22.035 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -16.533 8.566 -20.498 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -17.553 9.985 -20.835 1.00 0.00 H new ATOM 240 N ILE A 18 -11.783 11.662 -20.140 1.00 0.00 N ATOM 241 CA ILE A 18 -10.932 12.339 -19.168 1.00 0.00 C ATOM 242 C ILE A 18 -10.296 13.587 -19.771 1.00 0.00 C ATOM 243 O ILE A 18 -10.139 14.603 -19.095 1.00 0.00 O ATOM 244 CB ILE A 18 -9.818 11.409 -18.650 1.00 0.00 C ATOM 245 CG1 ILE A 18 -10.090 11.013 -17.197 1.00 0.00 C ATOM 246 CG2 ILE A 18 -8.462 12.085 -18.777 1.00 0.00 C ATOM 247 CD1 ILE A 18 -10.066 12.182 -16.239 1.00 0.00 C ATOM 0 H ILE A 18 -11.461 10.732 -20.408 1.00 0.00 H new ATOM 0 HA ILE A 18 -11.572 12.626 -18.334 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.808 10.504 -19.257 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.063 10.525 -17.138 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.346 10.281 -16.883 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.686 11.415 -18.407 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.269 12.321 -19.824 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.458 13.004 -18.191 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.266 11.828 -15.228 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.086 12.657 -16.269 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.829 12.905 -16.528 1.00 0.00 H new ATOM 259 N ASN A 19 -9.933 13.503 -21.047 1.00 0.00 N ATOM 260 CA ASN A 19 -9.316 14.627 -21.741 1.00 0.00 C ATOM 261 C ASN A 19 -10.363 15.444 -22.493 1.00 0.00 C ATOM 262 O ASN A 19 -10.157 16.622 -22.781 1.00 0.00 O ATOM 263 CB ASN A 19 -8.248 14.127 -22.714 1.00 0.00 C ATOM 264 CG ASN A 19 -6.841 14.392 -22.215 1.00 0.00 C ATOM 265 OD1 ASN A 19 -6.232 15.409 -22.548 1.00 0.00 O ATOM 266 ND2 ASN A 19 -6.316 13.474 -21.410 1.00 0.00 N ATOM 0 H ASN A 19 -10.056 12.669 -21.621 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.847 15.269 -20.995 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.378 13.057 -22.873 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.385 14.612 -23.680 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.373 13.598 -21.042 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.856 12.646 -21.160 1.00 0.00 H new ATOM 273 N PHE A 20 -11.487 14.808 -22.808 1.00 0.00 N ATOM 274 CA PHE A 20 -12.566 15.475 -23.526 1.00 0.00 C ATOM 275 C PHE A 20 -13.430 16.295 -22.572 1.00 0.00 C ATOM 276 O PHE A 20 -13.916 17.369 -22.927 1.00 0.00 O ATOM 277 CB PHE A 20 -13.431 14.447 -24.259 1.00 0.00 C ATOM 278 CG PHE A 20 -12.913 14.092 -25.624 1.00 0.00 C ATOM 279 CD1 PHE A 20 -11.562 13.862 -25.829 1.00 0.00 C ATOM 280 CD2 PHE A 20 -13.777 13.987 -26.701 1.00 0.00 C ATOM 281 CE1 PHE A 20 -11.083 13.536 -27.083 1.00 0.00 C ATOM 282 CE2 PHE A 20 -13.304 13.661 -27.958 1.00 0.00 C ATOM 283 CZ PHE A 20 -11.954 13.434 -28.149 1.00 0.00 C ATOM 0 H PHE A 20 -11.674 13.832 -22.577 1.00 0.00 H new ATOM 0 HA PHE A 20 -12.119 16.151 -24.255 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -13.494 13.541 -23.656 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -14.444 14.838 -24.354 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.876 13.939 -24.999 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -14.833 14.162 -26.557 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -10.027 13.361 -27.229 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -13.988 13.584 -28.790 1.00 0.00 H new ATOM 0 HZ PHE A 20 -11.582 13.177 -29.130 1.00 0.00 H new ATOM 293 N GLU A 21 -13.617 15.779 -21.361 1.00 0.00 N ATOM 294 CA GLU A 21 -14.423 16.463 -20.357 1.00 0.00 C ATOM 295 C GLU A 21 -13.586 17.482 -19.588 1.00 0.00 C ATOM 296 O GLU A 21 -14.119 18.301 -18.842 1.00 0.00 O ATOM 297 CB GLU A 21 -15.033 15.451 -19.385 1.00 0.00 C ATOM 298 CG GLU A 21 -16.167 16.018 -18.548 1.00 0.00 C ATOM 299 CD GLU A 21 -16.832 14.967 -17.679 1.00 0.00 C ATOM 300 OE1 GLU A 21 -16.699 13.767 -17.992 1.00 0.00 O ATOM 301 OE2 GLU A 21 -17.486 15.349 -16.685 1.00 0.00 O1- ATOM 0 H GLU A 21 -13.222 14.891 -21.052 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.225 16.992 -20.871 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -15.402 14.595 -19.950 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.252 15.082 -18.721 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.782 16.817 -17.915 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.912 16.464 -19.207 1.00 0.00 H new ATOM 308 N GLN A 22 -12.271 17.423 -19.779 1.00 0.00 N ATOM 309 CA GLN A 22 -11.361 18.338 -19.103 1.00 0.00 C ATOM 310 C GLN A 22 -10.931 19.466 -20.036 1.00 0.00 C ATOM 311 O GLN A 22 -10.757 20.607 -19.609 1.00 0.00 O ATOM 312 CB GLN A 22 -10.131 17.586 -18.592 1.00 0.00 C ATOM 313 CG GLN A 22 -10.368 16.850 -17.283 1.00 0.00 C ATOM 314 CD GLN A 22 -9.108 16.206 -16.740 1.00 0.00 C ATOM 315 OE1 GLN A 22 -8.053 16.245 -17.374 1.00 0.00 O ATOM 316 NE2 GLN A 22 -9.210 15.607 -15.559 1.00 0.00 N ATOM 0 H GLN A 22 -11.814 16.752 -20.396 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.889 18.773 -18.255 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.813 16.870 -19.349 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.313 18.293 -18.458 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.762 17.548 -16.544 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.128 16.083 -17.434 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.104 15.598 -15.067 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.395 15.156 -15.144 1.00 0.00 H new ATOM 325 N LYS A 23 -10.759 19.138 -21.312 1.00 0.00 N ATOM 326 CA LYS A 23 -10.349 20.121 -22.307 1.00 0.00 C ATOM 327 C LYS A 23 -11.547 20.926 -22.801 1.00 0.00 C ATOM 328 O LYS A 23 -11.431 22.118 -23.085 1.00 0.00 O ATOM 329 CB LYS A 23 -9.665 19.429 -23.487 1.00 0.00 C ATOM 330 CG LYS A 23 -8.317 18.822 -23.138 1.00 0.00 C ATOM 331 CD LYS A 23 -7.283 19.894 -22.836 1.00 0.00 C ATOM 332 CE LYS A 23 -6.562 19.620 -21.526 1.00 0.00 C ATOM 333 NZ LYS A 23 -6.998 20.550 -20.447 1.00 0.00 N1+ ATOM 0 H LYS A 23 -10.898 18.197 -21.682 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.642 20.805 -21.836 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.320 18.645 -23.867 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.531 20.151 -24.293 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.425 18.166 -22.274 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.970 18.204 -23.966 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.558 19.941 -23.649 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.771 20.868 -22.787 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.749 18.592 -21.217 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.487 19.717 -21.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.483 20.330 -19.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.796 21.530 -20.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.019 20.440 -20.285 1.00 0.00 H new ATOM 347 N GLU A 24 -12.698 20.267 -22.900 1.00 0.00 N ATOM 348 CA GLU A 24 -13.915 20.923 -23.360 1.00 0.00 C ATOM 349 C GLU A 24 -14.594 21.673 -22.217 1.00 0.00 C ATOM 350 O GLU A 24 -15.649 22.281 -22.399 1.00 0.00 O ATOM 351 CB GLU A 24 -14.882 19.895 -23.954 1.00 0.00 C ATOM 352 CG GLU A 24 -15.771 20.458 -25.049 1.00 0.00 C ATOM 353 CD GLU A 24 -16.788 19.451 -25.550 1.00 0.00 C ATOM 354 OE1 GLU A 24 -17.420 18.777 -24.711 1.00 0.00 O ATOM 355 OE2 GLU A 24 -16.950 19.338 -26.784 1.00 0.00 O1- ATOM 0 H GLU A 24 -12.812 19.280 -22.668 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.640 21.642 -24.132 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.309 19.060 -24.356 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.510 19.496 -23.157 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.292 21.338 -24.672 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.150 20.787 -25.882 1.00 0.00 H new ATOM 362 N SER A 25 -13.979 21.626 -21.039 1.00 0.00 N ATOM 363 CA SER A 25 -14.526 22.297 -19.865 1.00 0.00 C ATOM 364 C SER A 25 -13.571 23.378 -19.366 1.00 0.00 C ATOM 365 O SER A 25 -13.820 24.017 -18.343 1.00 0.00 O ATOM 366 CB SER A 25 -14.794 21.284 -18.751 1.00 0.00 C ATOM 367 OG SER A 25 -16.099 20.743 -18.858 1.00 0.00 O ATOM 0 H SER A 25 -13.103 21.131 -20.872 1.00 0.00 H new ATOM 0 HA SER A 25 -15.466 22.769 -20.150 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.059 20.481 -18.801 1.00 0.00 H new ATOM 0 HB3 SER A 25 -14.675 21.766 -17.781 1.00 0.00 H new ATOM 0 HG SER A 25 -16.246 20.097 -18.136 1.00 0.00 H new ATOM 424 N LYS A 30 -12.039 28.839 -20.816 1.00 0.00 N ATOM 425 CA LYS A 30 -11.098 29.798 -20.250 1.00 0.00 C ATOM 426 C LYS A 30 -10.209 30.394 -21.336 1.00 0.00 C ATOM 427 O LYS A 30 -9.915 31.590 -21.325 1.00 0.00 O ATOM 428 CB LYS A 30 -10.233 29.124 -19.182 1.00 0.00 C ATOM 429 CG LYS A 30 -10.819 29.210 -17.783 1.00 0.00 C ATOM 430 CD LYS A 30 -10.515 27.959 -16.975 1.00 0.00 C ATOM 431 CE LYS A 30 -11.773 27.385 -16.341 1.00 0.00 C ATOM 432 NZ LYS A 30 -12.422 28.356 -15.417 1.00 0.00 N1+ ATOM 0 HA LYS A 30 -11.671 30.604 -19.791 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.096 28.075 -19.446 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.245 29.585 -19.182 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.414 30.083 -17.271 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.898 29.350 -17.847 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.058 27.210 -17.621 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.789 28.195 -16.197 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.477 27.102 -17.123 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.522 26.476 -15.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.076 27.851 -14.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.694 28.835 -14.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.950 29.061 -15.970 1.00 0.00 H new ATOM 446 N VAL A 31 -9.785 29.554 -22.275 1.00 0.00 N ATOM 447 CA VAL A 31 -8.932 29.999 -23.371 1.00 0.00 C ATOM 448 C VAL A 31 -9.694 30.910 -24.327 1.00 0.00 C ATOM 449 O VAL A 31 -9.099 31.573 -25.176 1.00 0.00 O ATOM 450 CB VAL A 31 -8.363 28.805 -24.159 1.00 0.00 C ATOM 451 CG1 VAL A 31 -7.258 29.264 -25.099 1.00 0.00 C ATOM 452 CG2 VAL A 31 -7.855 27.731 -23.209 1.00 0.00 C ATOM 0 H VAL A 31 -10.018 28.561 -22.299 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.108 30.556 -22.925 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.164 28.375 -24.760 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.868 28.407 -25.648 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.659 29.993 -25.803 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.455 29.721 -24.521 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.457 26.895 -23.784 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.068 28.145 -22.579 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.676 27.382 -22.582 1.00 0.00 H new ATOM 462 N TRP A 32 -11.014 30.937 -24.181 1.00 0.00 N ATOM 463 CA TRP A 32 -11.860 31.767 -25.031 1.00 0.00 C ATOM 464 C TRP A 32 -12.837 32.586 -24.195 1.00 0.00 C ATOM 465 O TRP A 32 -13.981 32.800 -24.594 1.00 0.00 O ATOM 466 CB TRP A 32 -12.627 30.896 -26.028 1.00 0.00 C ATOM 467 CG TRP A 32 -12.962 31.609 -27.304 1.00 0.00 C ATOM 468 CD1 TRP A 32 -12.136 32.414 -28.034 1.00 0.00 C ATOM 469 CD2 TRP A 32 -14.214 31.579 -27.998 1.00 0.00 C ATOM 470 NE1 TRP A 32 -12.799 32.888 -29.141 1.00 0.00 N ATOM 471 CE2 TRP A 32 -14.075 32.390 -29.142 1.00 0.00 C ATOM 472 CE3 TRP A 32 -15.438 30.947 -27.766 1.00 0.00 C ATOM 473 CZ2 TRP A 32 -15.114 32.583 -30.048 1.00 0.00 C ATOM 474 CZ3 TRP A 32 -16.469 31.139 -28.666 1.00 0.00 C ATOM 475 CH2 TRP A 32 -16.301 31.952 -29.795 1.00 0.00 C ATOM 0 H TRP A 32 -11.521 30.394 -23.482 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.217 32.455 -25.580 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.033 30.012 -26.259 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -13.549 30.548 -25.562 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -11.112 32.645 -27.779 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.405 33.510 -29.847 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.576 30.319 -26.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -14.988 33.208 -30.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -17.419 30.655 -28.497 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -17.126 32.083 -30.480 1.00 0.00 H new ATOM 486 N GLY A 33 -12.378 33.041 -23.034 1.00 0.00 N ATOM 487 CA GLY A 33 -13.226 33.831 -22.159 1.00 0.00 C ATOM 488 C GLY A 33 -12.505 34.279 -20.903 1.00 0.00 C ATOM 489 O GLY A 33 -12.693 35.404 -20.439 1.00 0.00 O ATOM 0 H GLY A 33 -11.434 32.877 -22.683 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.585 34.706 -22.700 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.103 33.245 -21.882 1.00 0.00 H new ATOM 493 N SER A 34 -11.678 33.397 -20.350 1.00 0.00 N ATOM 494 CA SER A 34 -10.932 33.706 -19.137 1.00 0.00 C ATOM 495 C SER A 34 -9.684 34.522 -19.460 1.00 0.00 C ATOM 496 O SER A 34 -9.542 35.661 -19.014 1.00 0.00 O ATOM 497 CB SER A 34 -10.538 32.416 -18.412 1.00 0.00 C ATOM 498 OG SER A 34 -9.803 32.698 -17.234 1.00 0.00 O ATOM 0 H SER A 34 -11.508 32.463 -20.723 1.00 0.00 H new ATOM 0 HA SER A 34 -11.575 34.299 -18.486 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.434 31.849 -18.159 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.942 31.790 -19.075 1.00 0.00 H new ATOM 0 HG SER A 34 -8.976 33.169 -17.469 1.00 0.00 H new ATOM 504 N ILE A 35 -8.783 33.932 -20.238 1.00 0.00 N ATOM 505 CA ILE A 35 -7.548 34.604 -20.621 1.00 0.00 C ATOM 506 C ILE A 35 -7.838 35.911 -21.349 1.00 0.00 C ATOM 507 O ILE A 35 -6.952 36.750 -21.520 1.00 0.00 O ATOM 508 CB ILE A 35 -6.677 33.709 -21.523 1.00 0.00 C ATOM 509 CG1 ILE A 35 -6.763 32.251 -21.068 1.00 0.00 C ATOM 510 CG2 ILE A 35 -5.234 34.189 -21.510 1.00 0.00 C ATOM 511 CD1 ILE A 35 -5.572 31.417 -21.484 1.00 0.00 C ATOM 0 H ILE A 35 -8.885 32.990 -20.615 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.005 34.816 -19.700 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.052 33.774 -22.544 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.855 32.223 -19.982 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.670 31.804 -21.476 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.631 33.547 -22.152 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.188 35.214 -21.877 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.847 34.150 -20.492 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.701 30.395 -21.128 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.491 31.415 -22.571 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.664 31.839 -21.054 1.00 0.00 H new ATOM 523 N LYS A 36 -9.084 36.081 -21.777 1.00 0.00 N ATOM 524 CA LYS A 36 -9.493 37.288 -22.485 1.00 0.00 C ATOM 525 C LYS A 36 -10.627 37.993 -21.747 1.00 0.00 C ATOM 526 O LYS A 36 -11.248 38.914 -22.278 1.00 0.00 O ATOM 527 CB LYS A 36 -9.933 36.946 -23.910 1.00 0.00 C ATOM 528 CG LYS A 36 -8.814 37.048 -24.933 1.00 0.00 C ATOM 529 CD LYS A 36 -8.059 35.735 -25.067 1.00 0.00 C ATOM 530 CE LYS A 36 -6.651 35.955 -25.599 1.00 0.00 C ATOM 531 NZ LYS A 36 -5.754 34.811 -25.278 1.00 0.00 N1+ ATOM 0 H LYS A 36 -9.829 35.397 -21.646 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.636 37.961 -22.528 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.335 35.933 -23.924 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.743 37.615 -24.202 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.229 37.330 -25.901 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.123 37.838 -24.640 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.010 35.241 -24.096 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.602 35.068 -25.736 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.688 36.096 -26.679 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.240 36.870 -25.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.804 34.998 -25.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.698 34.692 -24.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.133 33.942 -25.706 1.00 0.00 H new ATOM 545 N GLY A 37 -10.892 37.555 -20.520 1.00 0.00 N ATOM 546 CA GLY A 37 -11.950 38.156 -19.731 1.00 0.00 C ATOM 547 C GLY A 37 -11.654 38.124 -18.245 1.00 0.00 C ATOM 548 O GLY A 37 -11.516 39.170 -17.608 1.00 0.00 O ATOM 0 H GLY A 37 -10.393 36.795 -20.059 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.093 39.189 -20.048 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.886 37.631 -19.923 1.00 0.00 H new ATOM 552 N LEU A 38 -11.558 36.922 -17.688 1.00 0.00 N ATOM 553 CA LEU A 38 -11.278 36.757 -16.266 1.00 0.00 C ATOM 554 C LEU A 38 -9.817 37.072 -15.958 1.00 0.00 C ATOM 555 O LEU A 38 -9.516 37.932 -15.131 1.00 0.00 O ATOM 556 CB LEU A 38 -11.607 35.330 -15.823 1.00 0.00 C ATOM 557 CG LEU A 38 -13.093 34.968 -15.783 1.00 0.00 C ATOM 558 CD1 LEU A 38 -13.273 33.457 -15.815 1.00 0.00 C ATOM 559 CD2 LEU A 38 -13.753 35.559 -14.546 1.00 0.00 C ATOM 0 H LEU A 38 -11.670 36.047 -18.200 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.906 37.457 -15.714 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.102 34.636 -16.495 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -11.188 35.173 -14.829 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.575 35.391 -16.664 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -14.336 33.216 -15.786 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.836 33.058 -16.730 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.777 33.013 -14.952 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.810 35.291 -14.534 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.269 35.165 -13.652 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.654 36.644 -14.564 1.00 0.00 H new ATOM 571 N THR A 39 -8.911 36.370 -16.633 1.00 0.00 N ATOM 572 CA THR A 39 -7.482 36.575 -16.433 1.00 0.00 C ATOM 573 C THR A 39 -7.000 37.829 -17.155 1.00 0.00 C ATOM 574 O THR A 39 -5.938 38.366 -16.841 1.00 0.00 O ATOM 575 CB THR A 39 -6.666 35.366 -16.929 1.00 0.00 C ATOM 576 OG1 THR A 39 -7.548 34.317 -17.344 1.00 0.00 O ATOM 577 CG2 THR A 39 -5.738 34.855 -15.838 1.00 0.00 C ATOM 0 H THR A 39 -9.142 35.655 -17.323 1.00 0.00 H new ATOM 0 HA THR A 39 -7.327 36.694 -15.361 1.00 0.00 H new ATOM 0 HB THR A 39 -6.061 35.687 -17.777 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.022 33.553 -17.659 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.172 34.001 -16.212 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.049 35.647 -15.546 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.327 34.550 -14.973 1.00 0.00 H new ATOM 585 N GLU A 40 -7.788 38.290 -18.120 1.00 0.00 N ATOM 586 CA GLU A 40 -7.440 39.482 -18.885 1.00 0.00 C ATOM 587 C GLU A 40 -8.080 40.726 -18.275 1.00 0.00 C ATOM 588 O GLU A 40 -7.584 41.839 -18.444 1.00 0.00 O ATOM 589 CB GLU A 40 -7.885 39.329 -20.341 1.00 0.00 C ATOM 590 CG GLU A 40 -8.124 40.653 -21.048 1.00 0.00 C ATOM 591 CD GLU A 40 -9.532 41.177 -20.844 1.00 0.00 C ATOM 592 OE1 GLU A 40 -10.285 40.567 -20.057 1.00 0.00 O ATOM 593 OE2 GLU A 40 -9.880 42.199 -21.472 1.00 0.00 O1- ATOM 0 H GLU A 40 -8.671 37.857 -18.391 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.357 39.599 -18.854 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.127 38.767 -20.887 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.802 38.740 -20.372 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.409 41.390 -20.682 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.937 40.530 -22.115 1.00 0.00 H new ATOM 600 N GLY A 41 -9.186 40.528 -17.564 1.00 0.00 N ATOM 601 CA GLY A 41 -9.876 41.641 -16.940 1.00 0.00 C ATOM 602 C GLY A 41 -9.577 41.752 -15.457 1.00 0.00 C ATOM 603 O GLY A 41 -9.392 42.851 -14.934 1.00 0.00 O ATOM 0 H GLY A 41 -9.616 39.616 -17.409 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.587 42.568 -17.436 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.950 41.525 -17.083 1.00 0.00 H new ATOM 607 N LEU A 42 -9.531 40.611 -14.779 1.00 0.00 N ATOM 608 CA LEU A 42 -9.253 40.583 -13.347 1.00 0.00 C ATOM 609 C LEU A 42 -7.757 40.446 -13.084 1.00 0.00 C ATOM 610 O LEU A 42 -7.259 40.866 -12.040 1.00 0.00 O ATOM 611 CB LEU A 42 -10.007 39.430 -12.684 1.00 0.00 C ATOM 612 CG LEU A 42 -11.379 39.097 -13.272 1.00 0.00 C ATOM 613 CD1 LEU A 42 -11.861 37.744 -12.774 1.00 0.00 C ATOM 614 CD2 LEU A 42 -12.386 40.184 -12.925 1.00 0.00 C ATOM 0 H LEU A 42 -9.683 39.693 -15.197 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.593 41.526 -12.918 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.385 38.537 -12.738 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.135 39.666 -11.628 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.285 39.049 -14.357 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.839 37.525 -13.204 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.152 36.972 -13.074 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.938 37.763 -11.687 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -13.357 39.930 -13.351 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.476 40.265 -11.842 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.048 41.137 -13.333 1.00 0.00 H new ATOM 626 N HIS A 43 -7.046 39.856 -14.040 1.00 0.00 N ATOM 627 CA HIS A 43 -5.605 39.665 -13.913 1.00 0.00 C ATOM 628 C HIS A 43 -4.865 40.340 -15.064 1.00 0.00 C ATOM 629 O HIS A 43 -3.635 40.389 -15.081 1.00 0.00 O ATOM 630 CB HIS A 43 -5.267 38.174 -13.878 1.00 0.00 C ATOM 631 CG HIS A 43 -4.406 37.782 -12.718 1.00 0.00 C ATOM 632 ND1 HIS A 43 -4.740 36.775 -11.839 1.00 0.00 N ATOM 633 CD2 HIS A 43 -3.215 38.269 -12.295 1.00 0.00 C ATOM 634 CE1 HIS A 43 -3.794 36.658 -10.924 1.00 0.00 C ATOM 635 NE2 HIS A 43 -2.856 37.553 -11.179 1.00 0.00 N ATOM 0 H HIS A 43 -7.444 39.502 -14.910 1.00 0.00 H new ATOM 0 HA HIS A 43 -5.283 40.124 -12.978 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.193 37.601 -13.842 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.760 37.903 -14.804 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -2.652 39.071 -12.750 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.788 35.951 -10.107 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -2.004 37.690 -10.635 1.00 0.00 H new ATOM 643 N GLY A 44 -5.622 40.859 -16.026 1.00 0.00 N ATOM 644 CA GLY A 44 -5.020 41.522 -17.167 1.00 0.00 C ATOM 645 C GLY A 44 -5.305 43.011 -17.189 1.00 0.00 C ATOM 646 O GLY A 44 -4.575 43.781 -17.813 1.00 0.00 O ATOM 0 H GLY A 44 -6.642 40.832 -16.035 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.942 41.362 -17.149 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.395 41.070 -18.085 1.00 0.00 H new ATOM 650 N PHE A 45 -6.370 43.418 -16.508 1.00 0.00 N ATOM 651 CA PHE A 45 -6.751 44.824 -16.453 1.00 0.00 C ATOM 652 C PHE A 45 -6.763 45.329 -15.014 1.00 0.00 C ATOM 653 O PHE A 45 -6.619 46.527 -14.762 1.00 0.00 O ATOM 654 CB PHE A 45 -8.130 45.026 -17.086 1.00 0.00 C ATOM 655 CG PHE A 45 -8.785 46.319 -16.696 1.00 0.00 C ATOM 656 CD1 PHE A 45 -9.545 46.405 -15.540 1.00 0.00 C ATOM 657 CD2 PHE A 45 -8.643 47.450 -17.484 1.00 0.00 C ATOM 658 CE1 PHE A 45 -10.150 47.594 -15.179 1.00 0.00 C ATOM 659 CE2 PHE A 45 -9.245 48.641 -17.128 1.00 0.00 C ATOM 660 CZ PHE A 45 -9.999 48.714 -15.973 1.00 0.00 C ATOM 0 H PHE A 45 -6.985 42.794 -15.986 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.012 45.396 -17.015 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.032 44.991 -18.171 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.778 44.198 -16.798 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -9.666 45.533 -14.914 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -8.054 47.400 -18.388 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -10.741 47.647 -14.276 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -9.126 49.514 -17.752 1.00 0.00 H new ATOM 0 HZ PHE A 45 -10.469 49.645 -15.691 1.00 0.00 H new ATOM 670 N HIS A 46 -6.934 44.408 -14.071 1.00 0.00 N ATOM 671 CA HIS A 46 -6.964 44.760 -12.654 1.00 0.00 C ATOM 672 C HIS A 46 -5.595 44.549 -12.013 1.00 0.00 C ATOM 673 O HIS A 46 -4.962 45.498 -11.551 1.00 0.00 O ATOM 674 CB HIS A 46 -8.017 43.926 -11.923 1.00 0.00 C ATOM 675 CG HIS A 46 -7.769 43.807 -10.450 1.00 0.00 C ATOM 676 ND1 HIS A 46 -7.845 42.611 -9.769 1.00 0.00 N ATOM 677 CD2 HIS A 46 -7.441 44.742 -9.528 1.00 0.00 C ATOM 678 CE1 HIS A 46 -7.577 42.815 -8.492 1.00 0.00 C ATOM 679 NE2 HIS A 46 -7.329 44.101 -8.320 1.00 0.00 N ATOM 0 H HIS A 46 -7.054 43.413 -14.261 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.225 45.815 -12.571 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.998 44.373 -12.083 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -8.046 42.928 -12.360 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -8.073 41.709 -10.186 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.295 45.797 -9.709 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.563 42.060 -7.720 1.00 0.00 H new ATOM 687 N VAL A 47 -5.145 43.298 -11.989 1.00 0.00 N ATOM 688 CA VAL A 47 -3.852 42.963 -11.405 1.00 0.00 C ATOM 689 C VAL A 47 -2.708 43.475 -12.273 1.00 0.00 C ATOM 690 O VAL A 47 -1.906 44.302 -11.839 1.00 0.00 O ATOM 691 CB VAL A 47 -3.699 41.443 -11.217 1.00 0.00 C ATOM 692 CG1 VAL A 47 -2.376 41.118 -10.540 1.00 0.00 C ATOM 693 CG2 VAL A 47 -4.867 40.884 -10.418 1.00 0.00 C ATOM 0 H VAL A 47 -5.657 42.501 -12.367 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.809 43.448 -10.430 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.702 40.972 -12.200 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.286 40.039 -10.416 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.553 41.482 -11.155 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.339 41.600 -9.563 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.742 39.808 -10.295 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.898 41.360 -9.438 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.799 41.083 -10.948 1.00 0.00 H new ATOM 703 N HIS A 48 -2.638 42.977 -13.504 1.00 0.00 N ATOM 704 CA HIS A 48 -1.592 43.385 -14.436 1.00 0.00 C ATOM 705 C HIS A 48 -1.773 44.842 -14.852 1.00 0.00 C ATOM 706 O HIS A 48 -0.822 45.499 -15.273 1.00 0.00 O ATOM 707 CB HIS A 48 -1.599 42.484 -15.670 1.00 0.00 C ATOM 708 CG HIS A 48 -0.880 41.186 -15.470 1.00 0.00 C ATOM 709 ND1 HIS A 48 -0.669 40.277 -16.486 1.00 0.00 N ATOM 710 CD2 HIS A 48 -0.320 40.647 -14.362 1.00 0.00 C ATOM 711 CE1 HIS A 48 -0.012 39.235 -16.011 1.00 0.00 C ATOM 712 NE2 HIS A 48 0.213 39.434 -14.724 1.00 0.00 N ATOM 0 H HIS A 48 -3.293 42.291 -13.879 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.631 43.287 -13.931 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.631 42.278 -15.953 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.141 43.019 -16.502 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.297 41.088 -13.377 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.290 38.367 -16.578 1.00 0.00 H new ATOM 0 HE2 HIS A 48 0.703 38.792 -14.101 1.00 0.00 H new ATOM 720 N GLU A 49 -3.000 45.338 -14.733 1.00 0.00 N ATOM 721 CA GLU A 49 -3.305 46.716 -15.100 1.00 0.00 C ATOM 722 C GLU A 49 -2.869 47.008 -16.532 1.00 0.00 C ATOM 723 O GLU A 49 -2.353 48.085 -16.829 1.00 0.00 O ATOM 724 CB GLU A 49 -2.617 47.687 -14.137 1.00 0.00 C ATOM 725 CG GLU A 49 -3.439 48.929 -13.836 1.00 0.00 C ATOM 726 CD GLU A 49 -2.954 50.148 -14.597 1.00 0.00 C ATOM 727 OE1 GLU A 49 -1.877 50.676 -14.248 1.00 0.00 O ATOM 728 OE2 GLU A 49 -3.651 50.573 -15.542 1.00 0.00 O1- ATOM 0 H GLU A 49 -3.799 44.807 -14.386 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.384 46.852 -15.033 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.402 47.168 -13.203 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.659 47.989 -14.561 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.482 48.739 -14.088 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.402 49.134 -12.766 1.00 0.00 H new ATOM 1399 N SER A 98 15.915 73.106 -34.749 1.00 0.00 N ATOM 1400 CA SER A 98 14.887 74.072 -35.120 1.00 0.00 C ATOM 1401 C SER A 98 15.359 75.498 -34.847 1.00 0.00 C ATOM 1402 O SER A 98 15.156 76.396 -35.664 1.00 0.00 O ATOM 1403 CB SER A 98 13.595 73.794 -34.351 1.00 0.00 C ATOM 1404 OG SER A 98 12.540 74.620 -34.812 1.00 0.00 O ATOM 0 HA SER A 98 14.694 73.969 -36.188 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.318 72.746 -34.466 1.00 0.00 H new ATOM 0 HB3 SER A 98 13.757 73.966 -33.287 1.00 0.00 H new ATOM 0 HG SER A 98 11.725 74.422 -34.306 1.00 0.00 H new ATOM 1410 N ILE A 99 15.987 75.696 -33.693 1.00 0.00 N ATOM 1411 CA ILE A 99 16.488 77.009 -33.312 1.00 0.00 C ATOM 1412 C ILE A 99 17.457 77.553 -34.357 1.00 0.00 C ATOM 1413 O ILE A 99 17.411 78.732 -34.707 1.00 0.00 O ATOM 1414 CB ILE A 99 17.195 76.969 -31.944 1.00 0.00 C ATOM 1415 CG1 ILE A 99 16.276 76.349 -30.890 1.00 0.00 C ATOM 1416 CG2 ILE A 99 17.622 78.368 -31.527 1.00 0.00 C ATOM 1417 CD1 ILE A 99 16.899 76.277 -29.514 1.00 0.00 C ATOM 0 H ILE A 99 16.161 74.963 -33.006 1.00 0.00 H new ATOM 0 HA ILE A 99 15.622 77.668 -33.244 1.00 0.00 H new ATOM 0 HB ILE A 99 18.088 76.350 -32.030 1.00 0.00 H new ATOM 0 HG12 ILE A 99 15.356 76.931 -30.834 1.00 0.00 H new ATOM 0 HG13 ILE A 99 15.998 75.344 -31.207 1.00 0.00 H new ATOM 0 HG21 ILE A 99 18.120 78.323 -30.558 1.00 0.00 H new ATOM 0 HG22 ILE A 99 18.308 78.775 -32.269 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.744 79.010 -31.454 1.00 0.00 H new ATOM 0 HD11 ILE A 99 16.192 75.827 -28.817 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.804 75.670 -29.555 1.00 0.00 H new ATOM 0 HD13 ILE A 99 17.151 77.282 -29.176 1.00 0.00 H new ATOM 1429 N GLU A 100 18.333 76.684 -34.852 1.00 0.00 N ATOM 1430 CA GLU A 100 19.312 77.076 -35.858 1.00 0.00 C ATOM 1431 C GLU A 100 18.636 77.357 -37.196 1.00 0.00 C ATOM 1432 O GLU A 100 19.042 78.256 -37.933 1.00 0.00 O ATOM 1433 CB GLU A 100 20.370 75.982 -36.028 1.00 0.00 C ATOM 1434 CG GLU A 100 20.884 75.424 -34.712 1.00 0.00 C ATOM 1435 CD GLU A 100 22.209 74.703 -34.863 1.00 0.00 C ATOM 1436 OE1 GLU A 100 22.246 73.672 -35.567 1.00 0.00 O ATOM 1437 OE2 GLU A 100 23.209 75.169 -34.278 1.00 0.00 O1- ATOM 0 H GLU A 100 18.384 75.704 -34.572 1.00 0.00 H new ATOM 0 HA GLU A 100 19.797 77.990 -35.517 1.00 0.00 H new ATOM 0 HB2 GLU A 100 19.948 75.168 -36.618 1.00 0.00 H new ATOM 0 HB3 GLU A 100 21.209 76.385 -36.595 1.00 0.00 H new ATOM 0 HG2 GLU A 100 20.997 76.238 -33.996 1.00 0.00 H new ATOM 0 HG3 GLU A 100 20.145 74.737 -34.300 1.00 0.00 H new ATOM 1444 N ASP A 101 17.602 76.582 -37.504 1.00 0.00 N ATOM 1445 CA ASP A 101 16.867 76.747 -38.752 1.00 0.00 C ATOM 1446 C ASP A 101 15.925 77.943 -38.675 1.00 0.00 C ATOM 1447 O ASP A 101 15.439 78.431 -39.696 1.00 0.00 O ATOM 1448 CB ASP A 101 16.076 75.478 -39.074 1.00 0.00 C ATOM 1449 CG ASP A 101 15.052 75.697 -40.171 1.00 0.00 C ATOM 1450 OD1 ASP A 101 13.923 76.125 -39.851 1.00 0.00 O ATOM 1451 OD2 ASP A 101 15.379 75.440 -41.348 1.00 0.00 O1- ATOM 0 H ASP A 101 17.254 75.833 -36.906 1.00 0.00 H new ATOM 0 HA ASP A 101 17.589 76.928 -39.548 1.00 0.00 H new ATOM 0 HB2 ASP A 101 16.766 74.690 -39.377 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.570 75.130 -38.173 1.00 0.00 H new ATOM 1456 N SER A 102 15.669 78.411 -37.456 1.00 0.00 N ATOM 1457 CA SER A 102 14.779 79.546 -37.246 1.00 0.00 C ATOM 1458 C SER A 102 15.577 80.837 -37.084 1.00 0.00 C ATOM 1459 O SER A 102 15.187 81.889 -37.592 1.00 0.00 O ATOM 1460 CB SER A 102 13.907 79.316 -36.010 1.00 0.00 C ATOM 1461 OG SER A 102 12.608 79.851 -36.197 1.00 0.00 O ATOM 0 H SER A 102 16.065 78.021 -36.601 1.00 0.00 H new ATOM 0 HA SER A 102 14.138 79.641 -38.122 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.838 78.248 -35.803 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.373 79.779 -35.141 1.00 0.00 H new ATOM 0 HG SER A 102 12.069 79.690 -35.394 1.00 0.00 H new ATOM 1467 N VAL A 103 16.696 80.749 -36.374 1.00 0.00 N ATOM 1468 CA VAL A 103 17.551 81.908 -36.146 1.00 0.00 C ATOM 1469 C VAL A 103 18.154 82.412 -37.453 1.00 0.00 C ATOM 1470 O VAL A 103 18.509 83.585 -37.573 1.00 0.00 O ATOM 1471 CB VAL A 103 18.689 81.582 -35.161 1.00 0.00 C ATOM 1472 CG1 VAL A 103 19.741 80.710 -35.830 1.00 0.00 C ATOM 1473 CG2 VAL A 103 19.310 82.861 -34.621 1.00 0.00 C ATOM 0 H VAL A 103 17.033 79.886 -35.946 1.00 0.00 H new ATOM 0 HA VAL A 103 16.920 82.686 -35.716 1.00 0.00 H new ATOM 0 HB VAL A 103 18.271 81.026 -34.322 1.00 0.00 H new ATOM 0 HG11 VAL A 103 20.537 80.490 -35.119 1.00 0.00 H new ATOM 0 HG12 VAL A 103 19.283 79.778 -36.162 1.00 0.00 H new ATOM 0 HG13 VAL A 103 20.157 81.236 -36.689 1.00 0.00 H new ATOM 0 HG21 VAL A 103 20.112 82.611 -33.927 1.00 0.00 H new ATOM 0 HG22 VAL A 103 19.714 83.446 -35.447 1.00 0.00 H new ATOM 0 HG23 VAL A 103 18.549 83.444 -34.102 1.00 0.00 H new ATOM 1483 N ILE A 104 18.267 81.519 -38.430 1.00 0.00 N ATOM 1484 CA ILE A 104 18.825 81.873 -39.728 1.00 0.00 C ATOM 1485 C ILE A 104 17.724 82.222 -40.724 1.00 0.00 C ATOM 1486 O ILE A 104 17.930 83.019 -41.639 1.00 0.00 O ATOM 1487 CB ILE A 104 19.679 80.728 -40.305 1.00 0.00 C ATOM 1488 CG1 ILE A 104 20.838 80.402 -39.362 1.00 0.00 C ATOM 1489 CG2 ILE A 104 20.201 81.100 -41.685 1.00 0.00 C ATOM 1490 CD1 ILE A 104 21.822 81.539 -39.196 1.00 0.00 C ATOM 0 H ILE A 104 17.979 80.544 -38.347 1.00 0.00 H new ATOM 0 HA ILE A 104 19.459 82.745 -39.571 1.00 0.00 H new ATOM 0 HB ILE A 104 19.053 79.841 -40.401 1.00 0.00 H new ATOM 0 HG12 ILE A 104 20.436 80.135 -38.385 1.00 0.00 H new ATOM 0 HG13 ILE A 104 21.367 79.527 -39.739 1.00 0.00 H new ATOM 0 HG21 ILE A 104 20.803 80.281 -42.079 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.361 81.288 -42.353 1.00 0.00 H new ATOM 0 HG23 ILE A 104 20.814 81.998 -41.612 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.616 81.236 -38.514 1.00 0.00 H new ATOM 0 HD12 ILE A 104 22.252 81.792 -40.165 1.00 0.00 H new ATOM 0 HD13 ILE A 104 21.307 82.409 -38.789 1.00 0.00 H new ATOM 1502 N SER A 105 16.553 81.622 -40.537 1.00 0.00 N ATOM 1503 CA SER A 105 15.419 81.868 -41.419 1.00 0.00 C ATOM 1504 C SER A 105 14.728 83.180 -41.063 1.00 0.00 C ATOM 1505 O SER A 105 14.153 83.847 -41.924 1.00 0.00 O ATOM 1506 CB SER A 105 14.419 80.713 -41.334 1.00 0.00 C ATOM 1507 OG SER A 105 14.841 79.614 -42.123 1.00 0.00 O ATOM 0 H SER A 105 16.365 80.962 -39.782 1.00 0.00 H new ATOM 0 HA SER A 105 15.794 81.940 -42.440 1.00 0.00 H new ATOM 0 HB2 SER A 105 14.309 80.399 -40.296 1.00 0.00 H new ATOM 0 HB3 SER A 105 13.439 81.051 -41.670 1.00 0.00 H new ATOM 0 HG SER A 105 15.166 78.898 -41.539 1.00 0.00 H new ATOM 1513 N LEU A 106 14.787 83.545 -39.787 1.00 0.00 N ATOM 1514 CA LEU A 106 14.168 84.779 -39.314 1.00 0.00 C ATOM 1515 C LEU A 106 14.831 85.998 -39.945 1.00 0.00 C ATOM 1516 O LEU A 106 14.155 86.939 -40.362 1.00 0.00 O ATOM 1517 CB LEU A 106 14.259 84.867 -37.790 1.00 0.00 C ATOM 1518 CG LEU A 106 12.978 84.544 -37.021 1.00 0.00 C ATOM 1519 CD1 LEU A 106 11.947 85.646 -37.214 1.00 0.00 C ATOM 1520 CD2 LEU A 106 12.415 83.201 -37.463 1.00 0.00 C ATOM 0 H LEU A 106 15.257 83.004 -39.061 1.00 0.00 H new ATOM 0 HA LEU A 106 13.119 84.766 -39.609 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.042 84.188 -37.453 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.575 85.875 -37.523 1.00 0.00 H new ATOM 0 HG LEU A 106 13.220 84.483 -35.960 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.042 85.399 -36.659 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.351 86.590 -36.848 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.709 85.740 -38.274 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.503 82.987 -36.905 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.189 83.234 -38.529 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.149 82.418 -37.272 1.00 0.00 H new ATOM 1532 N SER A 107 16.159 85.974 -40.016 1.00 0.00 N ATOM 1533 CA SER A 107 16.913 87.079 -40.596 1.00 0.00 C ATOM 1534 C SER A 107 17.336 86.756 -42.026 1.00 0.00 C ATOM 1535 O SER A 107 17.830 87.620 -42.749 1.00 0.00 O ATOM 1536 CB SER A 107 18.147 87.383 -39.744 1.00 0.00 C ATOM 1537 OG SER A 107 18.965 86.234 -39.601 1.00 0.00 O ATOM 0 H SER A 107 16.734 85.202 -39.679 1.00 0.00 H new ATOM 0 HA SER A 107 16.268 87.957 -40.616 1.00 0.00 H new ATOM 0 HB2 SER A 107 18.721 88.187 -40.204 1.00 0.00 H new ATOM 0 HB3 SER A 107 17.836 87.736 -38.761 1.00 0.00 H new ATOM 0 HG SER A 107 19.747 86.455 -39.054 1.00 0.00 H new ATOM 1543 N GLY A 108 17.136 85.504 -42.428 1.00 0.00 N ATOM 1544 CA GLY A 108 17.502 85.089 -43.769 1.00 0.00 C ATOM 1545 C GLY A 108 16.297 84.935 -44.677 1.00 0.00 C ATOM 1546 O GLY A 108 16.438 84.622 -45.859 1.00 0.00 O ATOM 0 H GLY A 108 16.727 84.771 -41.849 1.00 0.00 H new ATOM 0 HA2 GLY A 108 18.186 85.821 -44.199 1.00 0.00 H new ATOM 0 HA3 GLY A 108 18.039 84.142 -43.719 1.00 0.00 H new ATOM 1550 N ASP A 109 15.109 85.155 -44.123 1.00 0.00 N ATOM 1551 CA ASP A 109 13.876 85.039 -44.891 1.00 0.00 C ATOM 1552 C ASP A 109 12.938 86.205 -44.592 1.00 0.00 C ATOM 1553 O ASP A 109 11.778 86.204 -45.004 1.00 0.00 O ATOM 1554 CB ASP A 109 13.178 83.714 -44.578 1.00 0.00 C ATOM 1555 CG ASP A 109 12.709 82.997 -45.829 1.00 0.00 C ATOM 1556 OD1 ASP A 109 12.017 83.632 -46.652 1.00 0.00 O ATOM 1557 OD2 ASP A 109 13.034 81.801 -45.985 1.00 0.00 O1- ATOM 0 H ASP A 109 14.975 85.414 -43.146 1.00 0.00 H new ATOM 0 HA ASP A 109 14.133 85.065 -45.950 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.861 83.068 -44.027 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.323 83.902 -43.928 1.00 0.00 H new ATOM 1562 N HIS A 110 13.449 87.198 -43.871 1.00 0.00 N ATOM 1563 CA HIS A 110 12.657 88.371 -43.517 1.00 0.00 C ATOM 1564 C HIS A 110 13.424 89.656 -43.814 1.00 0.00 C ATOM 1565 O HIS A 110 12.872 90.753 -43.739 1.00 0.00 O ATOM 1566 CB HIS A 110 12.272 88.324 -42.038 1.00 0.00 C ATOM 1567 CG HIS A 110 11.019 89.081 -41.720 1.00 0.00 C ATOM 1568 ND1 HIS A 110 9.856 88.952 -42.451 1.00 0.00 N ATOM 1569 CD2 HIS A 110 10.750 89.978 -40.744 1.00 0.00 C ATOM 1570 CE1 HIS A 110 8.927 89.738 -41.937 1.00 0.00 C ATOM 1571 NE2 HIS A 110 9.443 90.372 -40.901 1.00 0.00 N ATOM 0 H HIS A 110 14.407 87.214 -43.521 1.00 0.00 H new ATOM 0 HA HIS A 110 11.751 88.362 -44.122 1.00 0.00 H new ATOM 0 HB2 HIS A 110 12.144 87.284 -41.737 1.00 0.00 H new ATOM 0 HB3 HIS A 110 13.092 88.729 -41.445 1.00 0.00 H new ATOM 0 HD2 HIS A 110 11.435 90.321 -39.983 1.00 0.00 H new ATOM 0 HE1 HIS A 110 7.916 89.844 -42.303 1.00 0.00 H new ATOM 0 HE2 HIS A 110 8.952 91.045 -40.313 1.00 0.00 H new ATOM 1579 N CYS A 111 14.702 89.511 -44.151 1.00 0.00 N ATOM 1580 CA CYS A 111 15.546 90.660 -44.459 1.00 0.00 C ATOM 1581 C CYS A 111 16.002 90.625 -45.913 1.00 0.00 C ATOM 1582 O CYS A 111 16.139 91.666 -46.556 1.00 0.00 O ATOM 1583 CB CYS A 111 16.761 90.689 -43.529 1.00 0.00 C ATOM 1584 SG CYS A 111 16.888 92.188 -42.527 1.00 0.00 S ATOM 0 H CYS A 111 15.175 88.610 -44.218 1.00 0.00 H new ATOM 0 HA CYS A 111 14.958 91.565 -44.305 1.00 0.00 H new ATOM 0 HB2 CYS A 111 16.719 89.825 -42.866 1.00 0.00 H new ATOM 0 HB3 CYS A 111 17.666 90.587 -44.128 1.00 0.00 H new ATOM 0 HG CYS A 111 17.945 92.118 -41.773 1.00 0.00 H new ATOM 1590 N ILE A 112 16.240 89.422 -46.425 1.00 0.00 N ATOM 1591 CA ILE A 112 16.683 89.252 -47.803 1.00 0.00 C ATOM 1592 C ILE A 112 15.535 88.795 -48.696 1.00 0.00 C ATOM 1593 O ILE A 112 15.393 89.259 -49.829 1.00 0.00 O ATOM 1594 CB ILE A 112 17.834 88.234 -47.903 1.00 0.00 C ATOM 1595 CG1 ILE A 112 18.227 88.018 -49.365 1.00 0.00 C ATOM 1596 CG2 ILE A 112 17.433 86.916 -47.257 1.00 0.00 C ATOM 1597 CD1 ILE A 112 19.488 87.201 -49.538 1.00 0.00 C ATOM 0 H ILE A 112 16.133 88.551 -45.906 1.00 0.00 H new ATOM 0 HA ILE A 112 17.040 90.224 -48.143 1.00 0.00 H new ATOM 0 HB ILE A 112 18.697 88.631 -47.369 1.00 0.00 H new ATOM 0 HG12 ILE A 112 17.407 87.520 -49.883 1.00 0.00 H new ATOM 0 HG13 ILE A 112 18.364 88.988 -49.843 1.00 0.00 H new ATOM 0 HG21 ILE A 112 18.257 86.207 -47.336 1.00 0.00 H new ATOM 0 HG22 ILE A 112 17.197 87.083 -46.206 1.00 0.00 H new ATOM 0 HG23 ILE A 112 16.557 86.513 -47.766 1.00 0.00 H new ATOM 0 HD11 ILE A 112 19.706 87.088 -50.600 1.00 0.00 H new ATOM 0 HD12 ILE A 112 20.320 87.708 -49.049 1.00 0.00 H new ATOM 0 HD13 ILE A 112 19.349 86.217 -49.090 1.00 0.00 H new ATOM 1609 N ILE A 113 14.717 87.884 -48.180 1.00 0.00 N ATOM 1610 CA ILE A 113 13.580 87.367 -48.930 1.00 0.00 C ATOM 1611 C ILE A 113 12.291 88.085 -48.541 1.00 0.00 C ATOM 1612 O ILE A 113 11.629 88.693 -49.382 1.00 0.00 O ATOM 1613 CB ILE A 113 13.398 85.854 -48.704 1.00 0.00 C ATOM 1614 CG1 ILE A 113 14.615 85.089 -49.227 1.00 0.00 C ATOM 1615 CG2 ILE A 113 12.127 85.366 -49.384 1.00 0.00 C ATOM 1616 CD1 ILE A 113 14.996 83.902 -48.369 1.00 0.00 C ATOM 0 H ILE A 113 14.821 87.489 -47.245 1.00 0.00 H new ATOM 0 HA ILE A 113 13.790 87.547 -49.984 1.00 0.00 H new ATOM 0 HB ILE A 113 13.308 85.669 -47.634 1.00 0.00 H new ATOM 0 HG12 ILE A 113 14.409 84.744 -50.240 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.464 85.770 -49.288 1.00 0.00 H new ATOM 0 HG21 ILE A 113 12.012 84.295 -49.215 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.267 85.893 -48.970 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.190 85.560 -50.455 1.00 0.00 H new ATOM 0 HD11 ILE A 113 15.867 83.407 -48.799 1.00 0.00 H new ATOM 0 HD12 ILE A 113 15.233 84.243 -47.361 1.00 0.00 H new ATOM 0 HD13 ILE A 113 14.163 83.200 -48.328 1.00 0.00 H new ATOM 1628 N GLY A 114 11.944 88.015 -47.260 1.00 0.00 N ATOM 1629 CA GLY A 114 10.738 88.665 -46.781 1.00 0.00 C ATOM 1630 C GLY A 114 10.759 90.163 -47.007 1.00 0.00 C ATOM 1631 O GLY A 114 9.713 90.815 -46.992 1.00 0.00 O ATOM 0 H GLY A 114 12.477 87.520 -46.545 1.00 0.00 H new ATOM 0 HA2 GLY A 114 9.873 88.236 -47.286 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.618 88.463 -45.717 1.00 0.00 H new ATOM 1635 N ARG A 115 11.950 90.712 -47.216 1.00 0.00 N ATOM 1636 CA ARG A 115 12.103 92.145 -47.442 1.00 0.00 C ATOM 1637 C ARG A 115 11.481 92.554 -48.774 1.00 0.00 C ATOM 1638 O ARG A 115 10.601 93.415 -48.824 1.00 0.00 O ATOM 1639 CB ARG A 115 13.582 92.532 -47.417 1.00 0.00 C ATOM 1640 CG ARG A 115 13.843 93.966 -47.845 1.00 0.00 C ATOM 1641 CD ARG A 115 14.643 94.026 -49.137 1.00 0.00 C ATOM 1642 NE ARG A 115 15.907 93.302 -49.031 1.00 0.00 N ATOM 1643 CZ ARG A 115 16.937 93.497 -49.848 1.00 0.00 C ATOM 1644 NH1 ARG A 115 16.852 94.390 -50.825 1.00 0.00 N1+ ATOM 1645 NH2 ARG A 115 18.053 92.799 -49.688 1.00 0.00 N ATOM 0 H ARG A 115 12.824 90.187 -47.234 1.00 0.00 H new ATOM 0 HA ARG A 115 11.584 92.671 -46.641 1.00 0.00 H new ATOM 0 HB2 ARG A 115 13.970 92.386 -46.409 1.00 0.00 H new ATOM 0 HB3 ARG A 115 14.136 91.860 -48.072 1.00 0.00 H new ATOM 0 HG2 ARG A 115 12.894 94.485 -47.979 1.00 0.00 H new ATOM 0 HG3 ARG A 115 14.384 94.489 -47.056 1.00 0.00 H new ATOM 0 HD2 ARG A 115 14.051 93.605 -49.950 1.00 0.00 H new ATOM 0 HD3 ARG A 115 14.842 95.067 -49.393 1.00 0.00 H new ATOM 0 HE ARG A 115 16.005 92.609 -48.289 1.00 0.00 H new ATOM 0 HH11 ARG A 115 15.995 94.929 -50.950 1.00 0.00 H new ATOM 0 HH12 ARG A 115 17.644 94.538 -51.451 1.00 0.00 H new ATOM 0 HH21 ARG A 115 18.121 92.112 -48.937 1.00 0.00 H new ATOM 0 HH22 ARG A 115 18.843 92.949 -50.316 1.00 0.00 H new ATOM 1659 N THR A 116 11.944 91.931 -49.853 1.00 0.00 N ATOM 1660 CA THR A 116 11.436 92.231 -51.186 1.00 0.00 C ATOM 1661 C THR A 116 10.027 91.680 -51.374 1.00 0.00 C ATOM 1662 O THR A 116 9.184 92.307 -52.014 1.00 0.00 O ATOM 1663 CB THR A 116 12.352 91.651 -52.280 1.00 0.00 C ATOM 1664 OG1 THR A 116 11.827 91.964 -53.575 1.00 0.00 O ATOM 1665 CG2 THR A 116 12.484 90.143 -52.133 1.00 0.00 C ATOM 0 H THR A 116 12.670 91.215 -49.830 1.00 0.00 H new ATOM 0 HA THR A 116 11.414 93.317 -51.279 1.00 0.00 H new ATOM 0 HB THR A 116 13.340 92.099 -52.170 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.416 91.593 -54.265 1.00 0.00 H new ATOM 0 HG21 THR A 116 13.136 89.757 -52.917 1.00 0.00 H new ATOM 0 HG22 THR A 116 12.911 89.908 -51.158 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.500 89.682 -52.219 1.00 0.00 H new ATOM 1673 N LEU A 117 9.778 90.502 -50.812 1.00 0.00 N ATOM 1674 CA LEU A 117 8.469 89.865 -50.917 1.00 0.00 C ATOM 1675 C LEU A 117 7.396 90.713 -50.243 1.00 0.00 C ATOM 1676 O LEU A 117 6.233 90.697 -50.646 1.00 0.00 O ATOM 1677 CB LEU A 117 8.507 88.472 -50.287 1.00 0.00 C ATOM 1678 CG LEU A 117 7.154 87.784 -50.098 1.00 0.00 C ATOM 1679 CD1 LEU A 117 6.376 87.770 -51.404 1.00 0.00 C ATOM 1680 CD2 LEU A 117 7.343 86.369 -49.572 1.00 0.00 C ATOM 0 H LEU A 117 10.465 89.969 -50.279 1.00 0.00 H new ATOM 0 HA LEU A 117 8.220 89.772 -51.974 1.00 0.00 H new ATOM 0 HB2 LEU A 117 9.134 87.832 -50.907 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.993 88.548 -49.314 1.00 0.00 H new ATOM 0 HG LEU A 117 6.580 88.349 -49.363 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.416 87.277 -51.250 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.208 88.794 -51.739 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.945 87.230 -52.161 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.370 85.895 -49.444 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.936 85.793 -50.282 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.859 86.403 -48.612 1.00 0.00 H new ATOM 1692 N VAL A 118 7.794 91.453 -49.214 1.00 0.00 N ATOM 1693 CA VAL A 118 6.867 92.310 -48.485 1.00 0.00 C ATOM 1694 C VAL A 118 6.951 93.752 -48.975 1.00 0.00 C ATOM 1695 O VAL A 118 6.009 94.530 -48.812 1.00 0.00 O ATOM 1696 CB VAL A 118 7.145 92.278 -46.969 1.00 0.00 C ATOM 1697 CG1 VAL A 118 6.283 93.302 -46.247 1.00 0.00 C ATOM 1698 CG2 VAL A 118 6.909 90.882 -46.415 1.00 0.00 C ATOM 0 H VAL A 118 8.753 91.476 -48.866 1.00 0.00 H new ATOM 0 HA VAL A 118 5.865 91.923 -48.671 1.00 0.00 H new ATOM 0 HB VAL A 118 8.190 92.538 -46.802 1.00 0.00 H new ATOM 0 HG11 VAL A 118 6.493 93.265 -45.178 1.00 0.00 H new ATOM 0 HG12 VAL A 118 6.507 94.299 -46.627 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.230 93.077 -46.418 1.00 0.00 H new ATOM 0 HG21 VAL A 118 7.110 90.877 -45.344 1.00 0.00 H new ATOM 0 HG22 VAL A 118 5.874 90.591 -46.592 1.00 0.00 H new ATOM 0 HG23 VAL A 118 7.574 90.176 -46.912 1.00 0.00 H new ATOM 1708 N VAL A 119 8.082 94.102 -49.576 1.00 0.00 N ATOM 1709 CA VAL A 119 8.288 95.450 -50.092 1.00 0.00 C ATOM 1710 C VAL A 119 7.501 95.673 -51.379 1.00 0.00 C ATOM 1711 O VAL A 119 6.663 96.571 -51.459 1.00 0.00 O ATOM 1712 CB VAL A 119 9.780 95.726 -50.362 1.00 0.00 C ATOM 1713 CG1 VAL A 119 9.940 96.739 -51.486 1.00 0.00 C ATOM 1714 CG2 VAL A 119 10.469 96.210 -49.095 1.00 0.00 C ATOM 0 H VAL A 119 8.871 93.471 -49.718 1.00 0.00 H new ATOM 0 HA VAL A 119 7.931 96.139 -49.327 1.00 0.00 H new ATOM 0 HB VAL A 119 10.254 94.795 -50.673 1.00 0.00 H new ATOM 0 HG11 VAL A 119 11.000 96.922 -51.663 1.00 0.00 H new ATOM 0 HG12 VAL A 119 9.482 96.349 -52.395 1.00 0.00 H new ATOM 0 HG13 VAL A 119 9.453 97.673 -51.206 1.00 0.00 H new ATOM 0 HG21 VAL A 119 11.522 96.400 -49.303 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.995 97.130 -48.752 1.00 0.00 H new ATOM 0 HG23 VAL A 119 10.384 95.447 -48.321 1.00 0.00 H new ATOM 1724 N HIS A 120 7.776 94.848 -52.384 1.00 0.00 N ATOM 1725 CA HIS A 120 7.093 94.953 -53.668 1.00 0.00 C ATOM 1726 C HIS A 120 6.363 93.656 -54.003 1.00 0.00 C ATOM 1727 O HIS A 120 5.313 93.672 -54.646 1.00 0.00 O ATOM 1728 CB HIS A 120 8.091 95.291 -54.775 1.00 0.00 C ATOM 1729 CG HIS A 120 8.257 96.763 -55.005 1.00 0.00 C ATOM 1730 ND1 HIS A 120 8.498 97.308 -56.247 1.00 0.00 N ATOM 1731 CD2 HIS A 120 8.211 97.803 -54.140 1.00 0.00 C ATOM 1732 CE1 HIS A 120 8.597 98.620 -56.138 1.00 0.00 C ATOM 1733 NE2 HIS A 120 8.426 98.946 -54.869 1.00 0.00 N ATOM 0 H HIS A 120 8.467 94.099 -52.334 1.00 0.00 H new ATOM 0 HA HIS A 120 6.358 95.755 -53.596 1.00 0.00 H new ATOM 0 HB2 HIS A 120 9.060 94.860 -54.523 1.00 0.00 H new ATOM 0 HB3 HIS A 120 7.764 94.821 -55.703 1.00 0.00 H new ATOM 0 HD2 HIS A 120 8.038 97.744 -53.076 1.00 0.00 H new ATOM 0 HE1 HIS A 120 8.786 99.309 -56.948 1.00 0.00 H new ATOM 0 HE2 HIS A 120 8.450 99.894 -54.492 1.00 0.00 H new ATOM 1741 N GLU A 121 6.927 92.535 -53.565 1.00 0.00 N ATOM 1742 CA GLU A 121 6.330 91.230 -53.820 1.00 0.00 C ATOM 1743 C GLU A 121 6.466 90.848 -55.291 1.00 0.00 C ATOM 1744 O GLU A 121 5.991 89.795 -55.719 1.00 0.00 O ATOM 1745 CB GLU A 121 4.854 91.230 -53.416 1.00 0.00 C ATOM 1746 CG GLU A 121 3.900 91.165 -54.597 1.00 0.00 C ATOM 1747 CD GLU A 121 2.485 91.563 -54.226 1.00 0.00 C ATOM 1748 OE1 GLU A 121 2.297 92.141 -53.134 1.00 0.00 O ATOM 1749 OE2 GLU A 121 1.565 91.299 -55.028 1.00 0.00 O1- ATOM 0 H GLU A 121 7.796 92.505 -53.032 1.00 0.00 H new ATOM 0 HA GLU A 121 6.863 90.492 -53.220 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.665 90.380 -52.760 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.644 92.131 -52.839 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.262 91.821 -55.388 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.895 90.152 -55.000 1.00 0.00 H new