USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=12 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 170:sc= 0.0755 USER MOD Set 1.2: A 39 THR OG1 : rot 74:sc= 0.0941 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 19 ASN : amide:sc= -0.0852 X(o=-0.085,f=-0.42) USER MOD Single : A 22 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.3) USER MOD Single : A 23 LYS NZ :NH3+ -157:sc=-0.00188 (180deg=-0.131) USER MOD Single : A 25 SER OG : rot 123:sc= 0.98 USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 0.341 (180deg=0.269) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.017) USER MOD Single : A 46 HIS : no HE2:sc= 0.354 K(o=0.35,f=-1.3) USER MOD Single : A 48 HIS : no HD1:sc= -0.0201 K(o=-0.02,f=-1.6) USER MOD Single : A 98 SER OG : rot -150:sc= -0.779 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 111 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0977 USER MOD Single : A 120 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 181 N VAL A 14 -6.534 29.949 -38.079 1.00 0.00 N ATOM 182 CA VAL A 14 -5.097 30.187 -38.002 1.00 0.00 C ATOM 183 C VAL A 14 -4.745 31.593 -38.471 1.00 0.00 C ATOM 184 O VAL A 14 -3.649 32.088 -38.214 1.00 0.00 O ATOM 185 CB VAL A 14 -4.313 29.164 -38.845 1.00 0.00 C ATOM 186 CG1 VAL A 14 -4.631 27.745 -38.398 1.00 0.00 C ATOM 187 CG2 VAL A 14 -4.620 29.348 -40.325 1.00 0.00 C ATOM 0 HA VAL A 14 -4.814 30.077 -36.955 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.247 29.335 -38.693 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.067 27.037 -39.006 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.356 27.623 -37.350 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.698 27.556 -38.517 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.058 28.617 -40.907 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.687 29.205 -40.496 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.335 30.354 -40.633 1.00 0.00 H new ATOM 197 N GLN A 15 -5.684 32.232 -39.162 1.00 0.00 N ATOM 198 CA GLN A 15 -5.474 33.582 -39.669 1.00 0.00 C ATOM 199 C GLN A 15 -6.069 34.619 -38.722 1.00 0.00 C ATOM 200 O GLN A 15 -5.459 35.654 -38.453 1.00 0.00 O ATOM 201 CB GLN A 15 -6.093 33.731 -41.060 1.00 0.00 C ATOM 202 CG GLN A 15 -5.632 34.974 -41.802 1.00 0.00 C ATOM 203 CD GLN A 15 -4.256 34.810 -42.418 1.00 0.00 C ATOM 204 OE1 GLN A 15 -4.027 33.908 -43.224 1.00 0.00 O ATOM 205 NE2 GLN A 15 -3.330 35.684 -42.041 1.00 0.00 N ATOM 0 H GLN A 15 -6.598 31.836 -39.383 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.400 33.753 -39.737 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.846 32.851 -41.654 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.178 33.757 -40.964 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.351 35.212 -42.586 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.619 35.819 -41.114 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.563 36.416 -41.370 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.386 35.623 -42.422 1.00 0.00 H new ATOM 214 N GLY A 16 -7.266 34.334 -38.218 1.00 0.00 N ATOM 215 CA GLY A 16 -7.925 35.250 -37.307 1.00 0.00 C ATOM 216 C GLY A 16 -7.298 35.246 -35.926 1.00 0.00 C ATOM 217 O GLY A 16 -7.327 36.254 -35.221 1.00 0.00 O ATOM 0 H GLY A 16 -7.791 33.484 -38.425 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.884 36.259 -37.718 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.978 34.981 -37.225 1.00 0.00 H new ATOM 221 N ILE A 17 -6.731 34.109 -35.539 1.00 0.00 N ATOM 222 CA ILE A 17 -6.097 33.978 -34.233 1.00 0.00 C ATOM 223 C ILE A 17 -4.657 34.483 -34.270 1.00 0.00 C ATOM 224 O ILE A 17 -4.121 34.932 -33.256 1.00 0.00 O ATOM 225 CB ILE A 17 -6.104 32.516 -33.748 1.00 0.00 C ATOM 226 CG1 ILE A 17 -6.082 32.464 -32.219 1.00 0.00 C ATOM 227 CG2 ILE A 17 -4.917 31.760 -34.325 1.00 0.00 C ATOM 228 CD1 ILE A 17 -7.411 32.811 -31.584 1.00 0.00 C ATOM 0 H ILE A 17 -6.697 33.265 -36.111 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.676 34.585 -33.537 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.019 32.037 -34.097 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.787 31.464 -31.902 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.322 33.153 -31.851 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.936 30.729 -33.973 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.972 31.773 -35.414 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.991 32.236 -34.003 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.322 32.754 -30.499 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.699 33.822 -31.872 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.171 32.107 -31.923 1.00 0.00 H new ATOM 240 N ILE A 18 -4.038 34.406 -35.444 1.00 0.00 N ATOM 241 CA ILE A 18 -2.663 34.858 -35.612 1.00 0.00 C ATOM 242 C ILE A 18 -2.543 36.356 -35.362 1.00 0.00 C ATOM 243 O ILE A 18 -1.535 36.830 -34.839 1.00 0.00 O ATOM 244 CB ILE A 18 -2.134 34.541 -37.023 1.00 0.00 C ATOM 245 CG1 ILE A 18 -1.341 33.233 -37.013 1.00 0.00 C ATOM 246 CG2 ILE A 18 -1.275 35.685 -37.537 1.00 0.00 C ATOM 247 CD1 ILE A 18 -0.066 33.308 -36.203 1.00 0.00 C ATOM 0 H ILE A 18 -4.467 34.035 -36.292 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.063 34.320 -34.878 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.984 34.422 -37.695 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.971 32.438 -36.612 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.095 32.958 -38.039 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.909 35.445 -38.535 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.870 36.597 -37.578 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.429 35.834 -36.866 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.445 32.346 -36.240 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.583 34.080 -36.617 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.306 33.552 -35.168 1.00 0.00 H new ATOM 259 N ASN A 19 -3.580 37.100 -35.737 1.00 0.00 N ATOM 260 CA ASN A 19 -3.591 38.547 -35.552 1.00 0.00 C ATOM 261 C ASN A 19 -4.291 38.923 -34.251 1.00 0.00 C ATOM 262 O ASN A 19 -4.042 39.987 -33.685 1.00 0.00 O ATOM 263 CB ASN A 19 -4.284 39.227 -36.735 1.00 0.00 C ATOM 264 CG ASN A 19 -3.309 39.955 -37.637 1.00 0.00 C ATOM 265 OD1 ASN A 19 -2.388 40.624 -37.164 1.00 0.00 O ATOM 266 ND2 ASN A 19 -3.505 39.830 -38.944 1.00 0.00 N ATOM 0 H ASN A 19 -4.423 36.724 -36.171 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.558 38.891 -35.499 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.822 38.478 -37.316 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.025 39.933 -36.361 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.880 40.298 -39.600 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.280 39.266 -39.292 1.00 0.00 H new ATOM 273 N PHE A 20 -5.167 38.042 -33.780 1.00 0.00 N ATOM 274 CA PHE A 20 -5.904 38.281 -32.545 1.00 0.00 C ATOM 275 C PHE A 20 -5.052 37.938 -31.327 1.00 0.00 C ATOM 276 O PHE A 20 -5.130 38.604 -30.296 1.00 0.00 O ATOM 277 CB PHE A 20 -7.194 37.458 -32.529 1.00 0.00 C ATOM 278 CG PHE A 20 -8.355 38.145 -33.187 1.00 0.00 C ATOM 279 CD1 PHE A 20 -8.174 38.872 -34.354 1.00 0.00 C ATOM 280 CD2 PHE A 20 -9.625 38.068 -32.639 1.00 0.00 C ATOM 281 CE1 PHE A 20 -9.241 39.507 -34.964 1.00 0.00 C ATOM 282 CE2 PHE A 20 -10.694 38.702 -33.245 1.00 0.00 C ATOM 283 CZ PHE A 20 -10.503 39.422 -34.408 1.00 0.00 C ATOM 0 H PHE A 20 -5.384 37.155 -34.235 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.157 39.340 -32.501 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.014 36.507 -33.030 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.456 37.229 -31.496 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.189 38.943 -34.791 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -9.782 37.507 -31.729 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -9.088 40.069 -35.874 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -11.679 38.634 -32.808 1.00 0.00 H new ATOM 0 HZ PHE A 20 -11.338 39.917 -34.882 1.00 0.00 H new ATOM 293 N GLU A 21 -4.239 36.894 -31.457 1.00 0.00 N ATOM 294 CA GLU A 21 -3.372 36.461 -30.366 1.00 0.00 C ATOM 295 C GLU A 21 -2.058 37.237 -30.375 1.00 0.00 C ATOM 296 O GLU A 21 -1.281 37.171 -29.423 1.00 0.00 O ATOM 297 CB GLU A 21 -3.093 34.962 -30.472 1.00 0.00 C ATOM 298 CG GLU A 21 -2.606 34.341 -29.175 1.00 0.00 C ATOM 299 CD GLU A 21 -3.745 33.864 -28.293 1.00 0.00 C ATOM 300 OE1 GLU A 21 -4.624 34.687 -27.966 1.00 0.00 O ATOM 301 OE2 GLU A 21 -3.756 32.670 -27.929 1.00 0.00 O1- ATOM 0 H GLU A 21 -4.162 36.333 -32.305 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.886 36.662 -29.426 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.003 34.453 -30.789 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.347 34.794 -31.248 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.951 33.500 -29.403 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.009 35.071 -28.628 1.00 0.00 H new ATOM 308 N GLN A 22 -1.818 37.971 -31.457 1.00 0.00 N ATOM 309 CA GLN A 22 -0.597 38.757 -31.592 1.00 0.00 C ATOM 310 C GLN A 22 -0.855 40.223 -31.259 1.00 0.00 C ATOM 311 O GLN A 22 -0.023 40.886 -30.640 1.00 0.00 O ATOM 312 CB GLN A 22 -0.040 38.634 -33.011 1.00 0.00 C ATOM 313 CG GLN A 22 1.320 39.291 -33.188 1.00 0.00 C ATOM 314 CD GLN A 22 2.459 38.290 -33.165 1.00 0.00 C ATOM 315 OE1 GLN A 22 2.296 37.157 -32.712 1.00 0.00 O ATOM 316 NE2 GLN A 22 3.621 38.704 -33.657 1.00 0.00 N ATOM 0 H GLN A 22 -2.453 38.038 -32.253 1.00 0.00 H new ATOM 0 HA GLN A 22 0.137 38.366 -30.887 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.039 37.579 -33.272 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.745 39.083 -33.710 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.337 39.833 -34.133 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.470 40.025 -32.397 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.711 39.652 -34.022 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.423 38.074 -33.669 1.00 0.00 H new ATOM 325 N LYS A 23 -2.014 40.724 -31.675 1.00 0.00 N ATOM 326 CA LYS A 23 -2.384 42.111 -31.421 1.00 0.00 C ATOM 327 C LYS A 23 -2.920 42.281 -30.004 1.00 0.00 C ATOM 328 O LYS A 23 -2.727 43.324 -29.379 1.00 0.00 O ATOM 329 CB LYS A 23 -3.434 42.575 -32.434 1.00 0.00 C ATOM 330 CG LYS A 23 -2.914 42.646 -33.858 1.00 0.00 C ATOM 331 CD LYS A 23 -1.838 43.708 -34.008 1.00 0.00 C ATOM 332 CE LYS A 23 -0.570 43.135 -34.622 1.00 0.00 C ATOM 333 NZ LYS A 23 0.396 42.684 -33.581 1.00 0.00 N1+ ATOM 0 H LYS A 23 -2.713 40.189 -32.190 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.489 42.724 -31.528 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.285 41.895 -32.400 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.800 43.559 -32.140 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.511 41.676 -34.148 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.739 42.864 -34.537 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.211 44.520 -34.633 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.609 44.136 -33.032 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.827 42.295 -35.268 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.099 43.889 -35.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.356 42.671 -33.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.366 43.338 -32.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.141 41.728 -33.262 1.00 0.00 H new ATOM 347 N GLU A 24 -3.591 41.249 -29.502 1.00 0.00 N ATOM 348 CA GLU A 24 -4.152 41.285 -28.157 1.00 0.00 C ATOM 349 C GLU A 24 -3.143 40.780 -27.131 1.00 0.00 C ATOM 350 O GLU A 24 -3.475 40.581 -25.962 1.00 0.00 O ATOM 351 CB GLU A 24 -5.429 40.444 -28.090 1.00 0.00 C ATOM 352 CG GLU A 24 -6.475 40.999 -27.140 1.00 0.00 C ATOM 353 CD GLU A 24 -7.619 40.033 -26.903 1.00 0.00 C ATOM 354 OE1 GLU A 24 -7.425 38.817 -27.111 1.00 0.00 O ATOM 355 OE2 GLU A 24 -8.712 40.493 -26.508 1.00 0.00 O1- ATOM 0 H GLU A 24 -3.759 40.378 -30.006 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.395 42.321 -27.921 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.859 40.372 -29.089 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.171 39.431 -27.781 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.004 41.239 -26.187 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.869 41.931 -27.544 1.00 0.00 H new ATOM 362 N SER A 25 -1.908 40.574 -27.576 1.00 0.00 N ATOM 363 CA SER A 25 -0.849 40.088 -26.699 1.00 0.00 C ATOM 364 C SER A 25 0.291 41.097 -26.612 1.00 0.00 C ATOM 365 O SER A 25 1.376 40.783 -26.122 1.00 0.00 O ATOM 366 CB SER A 25 -0.319 38.744 -27.202 1.00 0.00 C ATOM 367 OG SER A 25 -1.163 37.677 -26.796 1.00 0.00 O ATOM 0 H SER A 25 -1.616 40.736 -28.540 1.00 0.00 H new ATOM 0 HA SER A 25 -1.269 39.955 -25.702 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.248 38.762 -28.290 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.688 38.581 -26.819 1.00 0.00 H new ATOM 0 HG SER A 25 -1.475 37.188 -27.586 1.00 0.00 H new ATOM 424 N LYS A 30 -2.935 44.642 -24.640 1.00 0.00 N ATOM 425 CA LYS A 30 -2.099 44.258 -23.507 1.00 0.00 C ATOM 426 C LYS A 30 -1.457 45.482 -22.865 1.00 0.00 C ATOM 427 O LYS A 30 -1.500 45.650 -21.646 1.00 0.00 O ATOM 428 CB LYS A 30 -1.016 43.275 -23.957 1.00 0.00 C ATOM 429 CG LYS A 30 -0.168 42.741 -22.816 1.00 0.00 C ATOM 430 CD LYS A 30 0.986 41.895 -23.328 1.00 0.00 C ATOM 431 CE LYS A 30 0.630 40.417 -23.345 1.00 0.00 C ATOM 432 NZ LYS A 30 1.828 39.560 -23.571 1.00 0.00 N1+ ATOM 0 HA LYS A 30 -2.734 43.774 -22.765 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.488 42.437 -24.471 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.367 43.768 -24.681 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.222 43.574 -22.230 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.789 42.145 -22.148 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.256 42.217 -24.334 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.861 42.052 -22.698 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.162 40.145 -22.399 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.104 40.229 -24.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.582 38.565 -23.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.150 39.666 -24.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.589 39.850 -22.925 1.00 0.00 H new ATOM 446 N VAL A 31 -0.862 46.335 -23.692 1.00 0.00 N ATOM 447 CA VAL A 31 -0.211 47.545 -23.205 1.00 0.00 C ATOM 448 C VAL A 31 -1.204 48.452 -22.488 1.00 0.00 C ATOM 449 O VAL A 31 -0.818 49.304 -21.689 1.00 0.00 O ATOM 450 CB VAL A 31 0.447 48.332 -24.355 1.00 0.00 C ATOM 451 CG1 VAL A 31 1.088 49.607 -23.831 1.00 0.00 C ATOM 452 CG2 VAL A 31 1.472 47.466 -25.073 1.00 0.00 C ATOM 0 H VAL A 31 -0.817 46.210 -24.703 1.00 0.00 H new ATOM 0 HA VAL A 31 0.561 47.228 -22.504 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.326 48.611 -25.071 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.548 50.149 -24.657 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.326 50.232 -23.365 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.850 49.355 -23.094 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.927 48.037 -25.882 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.244 47.156 -24.369 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.980 46.584 -25.483 1.00 0.00 H new ATOM 462 N TRP A 32 -2.486 48.261 -22.778 1.00 0.00 N ATOM 463 CA TRP A 32 -3.536 49.063 -22.159 1.00 0.00 C ATOM 464 C TRP A 32 -3.459 48.982 -20.639 1.00 0.00 C ATOM 465 O TRP A 32 -3.326 49.999 -19.960 1.00 0.00 O ATOM 466 CB TRP A 32 -4.912 48.593 -22.637 1.00 0.00 C ATOM 467 CG TRP A 32 -5.892 49.714 -22.817 1.00 0.00 C ATOM 468 CD1 TRP A 32 -6.959 50.005 -22.019 1.00 0.00 C ATOM 469 CD2 TRP A 32 -5.894 50.690 -23.866 1.00 0.00 C ATOM 470 NE1 TRP A 32 -7.625 51.104 -22.506 1.00 0.00 N ATOM 471 CE2 TRP A 32 -6.991 51.543 -23.637 1.00 0.00 C ATOM 472 CE3 TRP A 32 -5.074 50.927 -24.972 1.00 0.00 C ATOM 473 CZ2 TRP A 32 -7.289 52.613 -24.477 1.00 0.00 C ATOM 474 CZ3 TRP A 32 -5.371 51.989 -25.805 1.00 0.00 C ATOM 475 CH2 TRP A 32 -6.470 52.822 -25.554 1.00 0.00 C ATOM 0 H TRP A 32 -2.823 47.559 -23.437 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.389 50.101 -22.457 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -4.799 48.063 -23.583 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.315 47.880 -21.918 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -7.239 49.453 -21.134 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -8.457 51.524 -22.092 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.224 50.292 -25.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -8.136 53.255 -24.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -4.745 52.180 -26.664 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -6.675 53.645 -26.223 1.00 0.00 H new ATOM 486 N GLY A 33 -3.543 47.765 -20.109 1.00 0.00 N ATOM 487 CA GLY A 33 -3.480 47.575 -18.672 1.00 0.00 C ATOM 488 C GLY A 33 -3.232 46.129 -18.288 1.00 0.00 C ATOM 489 O GLY A 33 -3.483 45.731 -17.152 1.00 0.00 O ATOM 0 H GLY A 33 -3.654 46.907 -20.650 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.686 48.198 -18.261 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.414 47.912 -18.223 1.00 0.00 H new ATOM 493 N SER A 34 -2.740 45.343 -19.238 1.00 0.00 N ATOM 494 CA SER A 34 -2.465 43.932 -18.996 1.00 0.00 C ATOM 495 C SER A 34 -1.105 43.751 -18.325 1.00 0.00 C ATOM 496 O SER A 34 -1.020 43.286 -17.188 1.00 0.00 O ATOM 497 CB SER A 34 -2.503 43.149 -20.311 1.00 0.00 C ATOM 498 OG SER A 34 -2.230 41.775 -20.095 1.00 0.00 O ATOM 0 H SER A 34 -2.523 45.659 -20.183 1.00 0.00 H new ATOM 0 HA SER A 34 -3.236 43.547 -18.329 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.483 43.260 -20.775 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.772 43.563 -21.006 1.00 0.00 H new ATOM 0 HG SER A 34 -2.417 41.272 -20.915 1.00 0.00 H new ATOM 504 N ILE A 35 -0.047 44.122 -19.037 1.00 0.00 N ATOM 505 CA ILE A 35 1.307 44.004 -18.510 1.00 0.00 C ATOM 506 C ILE A 35 1.460 44.780 -17.209 1.00 0.00 C ATOM 507 O ILE A 35 2.422 44.583 -16.462 1.00 0.00 O ATOM 508 CB ILE A 35 2.352 44.509 -19.523 1.00 0.00 C ATOM 509 CG1 ILE A 35 1.935 45.871 -20.082 1.00 0.00 C ATOM 510 CG2 ILE A 35 2.528 43.501 -20.650 1.00 0.00 C ATOM 511 CD1 ILE A 35 3.009 46.537 -20.912 1.00 0.00 C ATOM 0 H ILE A 35 -0.101 44.507 -19.980 1.00 0.00 H new ATOM 0 HA ILE A 35 1.480 42.945 -18.320 1.00 0.00 H new ATOM 0 HB ILE A 35 3.307 44.623 -19.011 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.041 45.746 -20.692 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.667 46.528 -19.254 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.269 43.872 -21.358 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.864 42.549 -20.238 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.577 43.359 -21.163 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.644 47.498 -21.276 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.897 46.694 -20.300 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.261 45.900 -21.760 1.00 0.00 H new ATOM 523 N LYS A 36 0.506 45.665 -16.937 1.00 0.00 N ATOM 524 CA LYS A 36 0.532 46.471 -15.722 1.00 0.00 C ATOM 525 C LYS A 36 -0.705 46.210 -14.871 1.00 0.00 C ATOM 526 O LYS A 36 -1.008 46.968 -13.950 1.00 0.00 O ATOM 527 CB LYS A 36 0.618 47.958 -16.075 1.00 0.00 C ATOM 528 CG LYS A 36 2.042 48.472 -16.202 1.00 0.00 C ATOM 529 CD LYS A 36 2.528 48.414 -17.640 1.00 0.00 C ATOM 530 CE LYS A 36 3.388 49.620 -17.988 1.00 0.00 C ATOM 531 NZ LYS A 36 3.360 49.921 -19.445 1.00 0.00 N1+ ATOM 0 H LYS A 36 -0.295 45.842 -17.543 1.00 0.00 H new ATOM 0 HA LYS A 36 1.413 46.189 -15.146 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.093 48.131 -17.015 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.099 48.535 -15.310 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.093 49.499 -15.841 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.702 47.879 -15.569 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.102 47.500 -17.794 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.672 48.370 -18.313 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.037 50.489 -17.431 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.416 49.435 -17.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.958 50.749 -19.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.719 49.102 -19.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.383 50.123 -19.739 1.00 0.00 H new ATOM 545 N GLY A 37 -1.418 45.132 -15.182 1.00 0.00 N ATOM 546 CA GLY A 37 -2.614 44.791 -14.434 1.00 0.00 C ATOM 547 C GLY A 37 -2.933 43.310 -14.498 1.00 0.00 C ATOM 548 O GLY A 37 -2.943 42.625 -13.475 1.00 0.00 O ATOM 0 H GLY A 37 -1.189 44.488 -15.939 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.485 45.087 -13.393 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.458 45.359 -14.825 1.00 0.00 H new ATOM 552 N LEU A 38 -3.196 42.816 -15.702 1.00 0.00 N ATOM 553 CA LEU A 38 -3.521 41.406 -15.896 1.00 0.00 C ATOM 554 C LEU A 38 -2.288 40.530 -15.694 1.00 0.00 C ATOM 555 O LEU A 38 -2.286 39.626 -14.860 1.00 0.00 O ATOM 556 CB LEU A 38 -4.097 41.182 -17.295 1.00 0.00 C ATOM 557 CG LEU A 38 -5.253 40.187 -17.393 1.00 0.00 C ATOM 558 CD1 LEU A 38 -6.516 40.773 -16.782 1.00 0.00 C ATOM 559 CD2 LEU A 38 -5.495 39.791 -18.844 1.00 0.00 C ATOM 0 H LEU A 38 -3.191 43.370 -16.559 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.268 41.126 -15.154 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.436 42.142 -17.684 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.293 40.840 -17.947 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.984 39.292 -16.832 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.328 40.050 -16.861 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.338 41.005 -15.732 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.789 41.684 -17.314 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.321 39.082 -18.895 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.742 40.678 -19.427 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.595 39.329 -19.250 1.00 0.00 H new ATOM 571 N THR A 39 -1.241 40.809 -16.464 1.00 0.00 N ATOM 572 CA THR A 39 -0.001 40.047 -16.369 1.00 0.00 C ATOM 573 C THR A 39 0.872 40.558 -15.229 1.00 0.00 C ATOM 574 O THR A 39 1.799 39.876 -14.794 1.00 0.00 O ATOM 575 CB THR A 39 0.800 40.114 -17.685 1.00 0.00 C ATOM 576 OG1 THR A 39 -0.084 39.988 -18.803 1.00 0.00 O ATOM 577 CG2 THR A 39 1.850 39.014 -17.733 1.00 0.00 C ATOM 0 H THR A 39 -1.226 41.555 -17.159 1.00 0.00 H new ATOM 0 HA THR A 39 -0.279 39.011 -16.173 1.00 0.00 H new ATOM 0 HB THR A 39 1.305 41.079 -17.731 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.593 40.818 -18.912 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.403 39.080 -18.670 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.538 39.131 -16.896 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.362 38.042 -17.668 1.00 0.00 H new ATOM 585 N GLU A 40 0.569 41.759 -14.749 1.00 0.00 N ATOM 586 CA GLU A 40 1.327 42.360 -13.659 1.00 0.00 C ATOM 587 C GLU A 40 0.673 42.063 -12.313 1.00 0.00 C ATOM 588 O GLU A 40 1.345 42.016 -11.282 1.00 0.00 O ATOM 589 CB GLU A 40 1.441 43.873 -13.860 1.00 0.00 C ATOM 590 CG GLU A 40 1.280 44.670 -12.576 1.00 0.00 C ATOM 591 CD GLU A 40 1.757 46.103 -12.717 1.00 0.00 C ATOM 592 OE1 GLU A 40 2.817 46.317 -13.340 1.00 0.00 O ATOM 593 OE2 GLU A 40 1.070 47.010 -12.201 1.00 0.00 O1- ATOM 0 H GLU A 40 -0.197 42.335 -15.098 1.00 0.00 H new ATOM 0 HA GLU A 40 2.326 41.924 -13.662 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.412 44.101 -14.300 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.684 44.194 -14.575 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.231 44.667 -12.280 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.838 44.182 -11.777 1.00 0.00 H new ATOM 600 N GLY A 41 -0.640 41.861 -12.332 1.00 0.00 N ATOM 601 CA GLY A 41 -1.363 41.570 -11.107 1.00 0.00 C ATOM 602 C GLY A 41 -1.657 40.093 -10.945 1.00 0.00 C ATOM 603 O GLY A 41 -1.560 39.550 -9.842 1.00 0.00 O ATOM 0 H GLY A 41 -1.216 41.893 -13.173 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.780 41.917 -10.254 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.300 42.127 -11.101 1.00 0.00 H new ATOM 607 N LEU A 42 -2.021 39.438 -12.043 1.00 0.00 N ATOM 608 CA LEU A 42 -2.332 38.013 -12.017 1.00 0.00 C ATOM 609 C LEU A 42 -1.091 37.180 -12.321 1.00 0.00 C ATOM 610 O LEU A 42 -0.988 36.026 -11.903 1.00 0.00 O ATOM 611 CB LEU A 42 -3.434 37.695 -13.028 1.00 0.00 C ATOM 612 CG LEU A 42 -4.498 38.776 -13.224 1.00 0.00 C ATOM 613 CD1 LEU A 42 -5.378 38.446 -14.421 1.00 0.00 C ATOM 614 CD2 LEU A 42 -5.341 38.932 -11.967 1.00 0.00 C ATOM 0 H LEU A 42 -2.108 39.872 -12.962 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.681 37.759 -11.016 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.968 37.494 -13.992 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.931 36.776 -12.716 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.994 39.723 -13.418 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.130 39.225 -14.546 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.763 38.387 -15.319 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.872 37.489 -14.256 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.092 39.706 -12.126 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.835 37.987 -11.741 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.700 39.215 -11.132 1.00 0.00 H new ATOM 626 N HIS A 43 -0.148 37.772 -13.048 1.00 0.00 N ATOM 627 CA HIS A 43 1.086 37.084 -13.406 1.00 0.00 C ATOM 628 C HIS A 43 2.302 37.853 -12.896 1.00 0.00 C ATOM 629 O HIS A 43 3.436 37.390 -13.013 1.00 0.00 O ATOM 630 CB HIS A 43 1.178 36.911 -14.922 1.00 0.00 C ATOM 631 CG HIS A 43 1.558 35.525 -15.344 1.00 0.00 C ATOM 632 ND1 HIS A 43 2.832 35.017 -15.201 1.00 0.00 N ATOM 633 CD2 HIS A 43 0.823 34.537 -15.907 1.00 0.00 C ATOM 634 CE1 HIS A 43 2.864 33.778 -15.659 1.00 0.00 C ATOM 635 NE2 HIS A 43 1.657 33.463 -16.092 1.00 0.00 N ATOM 0 H HIS A 43 -0.216 38.727 -13.400 1.00 0.00 H new ATOM 0 HA HIS A 43 1.074 36.100 -12.936 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.217 37.167 -15.368 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.910 37.616 -15.316 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.225 34.585 -16.163 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.730 33.133 -15.676 1.00 0.00 H new ATOM 0 HE2 HIS A 43 1.388 32.567 -16.498 1.00 0.00 H new ATOM 643 N GLY A 44 2.058 39.029 -12.328 1.00 0.00 N ATOM 644 CA GLY A 44 3.141 39.843 -11.810 1.00 0.00 C ATOM 645 C GLY A 44 3.084 39.994 -10.303 1.00 0.00 C ATOM 646 O GLY A 44 4.098 40.275 -9.661 1.00 0.00 O ATOM 0 H GLY A 44 1.128 39.433 -12.217 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.094 39.395 -12.091 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.103 40.829 -12.272 1.00 0.00 H new ATOM 650 N PHE A 45 1.897 39.807 -9.737 1.00 0.00 N ATOM 651 CA PHE A 45 1.711 39.926 -8.295 1.00 0.00 C ATOM 652 C PHE A 45 1.176 38.626 -7.706 1.00 0.00 C ATOM 653 O PHE A 45 1.300 38.376 -6.507 1.00 0.00 O ATOM 654 CB PHE A 45 0.750 41.075 -7.976 1.00 0.00 C ATOM 655 CG PHE A 45 0.203 41.028 -6.581 1.00 0.00 C ATOM 656 CD1 PHE A 45 -0.925 40.280 -6.288 1.00 0.00 C ATOM 657 CD2 PHE A 45 0.816 41.735 -5.558 1.00 0.00 C ATOM 658 CE1 PHE A 45 -1.433 40.236 -5.003 1.00 0.00 C ATOM 659 CE2 PHE A 45 0.314 41.694 -4.270 1.00 0.00 C ATOM 660 CZ PHE A 45 -0.811 40.943 -3.993 1.00 0.00 C ATOM 0 H PHE A 45 1.050 39.573 -10.254 1.00 0.00 H new ATOM 0 HA PHE A 45 2.682 40.136 -7.846 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.268 42.023 -8.123 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.079 41.052 -8.684 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.414 39.724 -7.074 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.696 42.325 -5.769 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.315 39.650 -4.789 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.801 42.249 -3.482 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.204 40.909 -2.988 1.00 0.00 H new ATOM 670 N HIS A 46 0.579 37.797 -8.558 1.00 0.00 N ATOM 671 CA HIS A 46 0.026 36.521 -8.123 1.00 0.00 C ATOM 672 C HIS A 46 0.961 35.370 -8.488 1.00 0.00 C ATOM 673 O HIS A 46 1.071 34.390 -7.752 1.00 0.00 O ATOM 674 CB HIS A 46 -1.350 36.296 -8.754 1.00 0.00 C ATOM 675 CG HIS A 46 -1.788 34.864 -8.738 1.00 0.00 C ATOM 676 ND1 HIS A 46 -1.900 34.099 -9.880 1.00 0.00 N ATOM 677 CD2 HIS A 46 -2.142 34.057 -7.709 1.00 0.00 C ATOM 678 CE1 HIS A 46 -2.306 32.884 -9.555 1.00 0.00 C ATOM 679 NE2 HIS A 46 -2.459 32.832 -8.245 1.00 0.00 N ATOM 0 H HIS A 46 0.467 37.988 -9.554 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.080 36.550 -7.039 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.087 36.899 -8.224 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.331 36.650 -9.785 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -1.701 34.421 -10.827 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.170 34.326 -6.663 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.483 32.072 -10.244 1.00 0.00 H new ATOM 687 N VAL A 47 1.628 35.496 -9.630 1.00 0.00 N ATOM 688 CA VAL A 47 2.552 34.469 -10.093 1.00 0.00 C ATOM 689 C VAL A 47 3.999 34.870 -9.824 1.00 0.00 C ATOM 690 O VAL A 47 4.882 34.016 -9.729 1.00 0.00 O ATOM 691 CB VAL A 47 2.380 34.194 -11.598 1.00 0.00 C ATOM 692 CG1 VAL A 47 3.385 33.155 -12.070 1.00 0.00 C ATOM 693 CG2 VAL A 47 0.957 33.747 -11.899 1.00 0.00 C ATOM 0 H VAL A 47 1.545 36.300 -10.252 1.00 0.00 H new ATOM 0 HA VAL A 47 2.319 33.561 -9.537 1.00 0.00 H new ATOM 0 HB VAL A 47 2.568 35.120 -12.142 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.248 32.974 -13.136 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.397 33.520 -11.891 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.232 32.225 -11.522 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.854 33.557 -12.967 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.738 32.834 -11.345 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.259 34.529 -11.600 1.00 0.00 H new ATOM 703 N HIS A 48 4.233 36.171 -9.699 1.00 0.00 N ATOM 704 CA HIS A 48 5.573 36.686 -9.440 1.00 0.00 C ATOM 705 C HIS A 48 5.629 37.403 -8.093 1.00 0.00 C ATOM 706 O HIS A 48 6.681 37.474 -7.461 1.00 0.00 O ATOM 707 CB HIS A 48 6.004 37.638 -10.556 1.00 0.00 C ATOM 708 CG HIS A 48 6.580 36.940 -11.750 1.00 0.00 C ATOM 709 ND1 HIS A 48 6.362 35.605 -12.018 1.00 0.00 N ATOM 710 CD2 HIS A 48 7.367 37.400 -12.748 1.00 0.00 C ATOM 711 CE1 HIS A 48 6.994 35.274 -13.131 1.00 0.00 C ATOM 712 NE2 HIS A 48 7.610 36.345 -13.594 1.00 0.00 N ATOM 0 H HIS A 48 3.512 36.889 -9.773 1.00 0.00 H new ATOM 0 HA HIS A 48 6.260 35.840 -9.411 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.144 38.229 -10.871 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.743 38.336 -10.162 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.736 38.409 -12.860 1.00 0.00 H new ATOM 0 HE1 HIS A 48 7.004 34.294 -13.584 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.175 36.384 -14.442 1.00 0.00 H new ATOM 720 N GLU A 49 4.488 37.934 -7.664 1.00 0.00 N ATOM 721 CA GLU A 49 4.407 38.647 -6.395 1.00 0.00 C ATOM 722 C GLU A 49 5.477 39.734 -6.313 1.00 0.00 C ATOM 723 O GLU A 49 6.107 39.922 -5.273 1.00 0.00 O ATOM 724 CB GLU A 49 4.566 37.672 -5.226 1.00 0.00 C ATOM 725 CG GLU A 49 3.295 36.913 -4.891 1.00 0.00 C ATOM 726 CD GLU A 49 3.448 36.027 -3.670 1.00 0.00 C ATOM 727 OE1 GLU A 49 3.632 36.571 -2.560 1.00 0.00 O ATOM 728 OE2 GLU A 49 3.385 34.790 -3.824 1.00 0.00 O1- ATOM 0 H GLU A 49 3.608 37.884 -8.177 1.00 0.00 H new ATOM 0 HA GLU A 49 3.427 39.120 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.354 36.957 -5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.892 38.224 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.486 37.624 -4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.006 36.301 -5.745 1.00 0.00 H new ATOM 1399 N SER A 98 11.906 57.967 -32.930 1.00 0.00 N ATOM 1400 CA SER A 98 10.726 58.682 -33.405 1.00 0.00 C ATOM 1401 C SER A 98 10.104 57.969 -34.602 1.00 0.00 C ATOM 1402 O SER A 98 9.587 58.609 -35.520 1.00 0.00 O ATOM 1403 CB SER A 98 11.092 60.118 -33.784 1.00 0.00 C ATOM 1404 OG SER A 98 10.194 61.044 -33.200 1.00 0.00 O ATOM 0 HA SER A 98 9.994 58.703 -32.597 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.108 60.336 -33.456 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.077 60.226 -34.868 1.00 0.00 H new ATOM 0 HG SER A 98 10.117 61.833 -33.776 1.00 0.00 H new ATOM 1410 N ILE A 99 10.160 56.642 -34.587 1.00 0.00 N ATOM 1411 CA ILE A 99 9.601 55.842 -35.671 1.00 0.00 C ATOM 1412 C ILE A 99 8.166 56.256 -35.976 1.00 0.00 C ATOM 1413 O ILE A 99 7.777 56.370 -37.138 1.00 0.00 O ATOM 1414 CB ILE A 99 9.630 54.339 -35.333 1.00 0.00 C ATOM 1415 CG1 ILE A 99 10.854 53.676 -35.968 1.00 0.00 C ATOM 1416 CG2 ILE A 99 8.350 53.666 -35.806 1.00 0.00 C ATOM 1417 CD1 ILE A 99 12.111 53.806 -35.136 1.00 0.00 C ATOM 0 H ILE A 99 10.586 56.098 -33.837 1.00 0.00 H new ATOM 0 HA ILE A 99 10.222 56.021 -36.549 1.00 0.00 H new ATOM 0 HB ILE A 99 9.699 54.225 -34.251 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.642 52.619 -36.129 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.029 54.119 -36.948 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.385 52.605 -35.560 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.494 54.125 -35.312 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.253 53.786 -36.885 1.00 0.00 H new ATOM 0 HD11 ILE A 99 12.938 53.313 -35.647 1.00 0.00 H new ATOM 0 HD12 ILE A 99 12.347 54.861 -34.996 1.00 0.00 H new ATOM 0 HD13 ILE A 99 11.954 53.338 -34.164 1.00 0.00 H new ATOM 1429 N GLU A 100 7.383 56.480 -34.924 1.00 0.00 N ATOM 1430 CA GLU A 100 5.990 56.883 -35.082 1.00 0.00 C ATOM 1431 C GLU A 100 5.893 58.253 -35.748 1.00 0.00 C ATOM 1432 O GLU A 100 4.931 58.540 -36.460 1.00 0.00 O ATOM 1433 CB GLU A 100 5.288 56.914 -33.722 1.00 0.00 C ATOM 1434 CG GLU A 100 4.998 55.532 -33.158 1.00 0.00 C ATOM 1435 CD GLU A 100 3.520 55.306 -32.902 1.00 0.00 C ATOM 1436 OE1 GLU A 100 2.820 54.858 -33.835 1.00 0.00 O ATOM 1437 OE2 GLU A 100 3.064 55.580 -31.773 1.00 0.00 O1- ATOM 0 H GLU A 100 7.689 56.389 -33.955 1.00 0.00 H new ATOM 0 HA GLU A 100 5.496 56.151 -35.721 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.908 57.464 -33.014 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.351 57.463 -33.818 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.363 54.776 -33.853 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.549 55.401 -32.227 1.00 0.00 H new ATOM 1444 N ASP A 101 6.893 59.095 -35.507 1.00 0.00 N ATOM 1445 CA ASP A 101 6.919 60.434 -36.083 1.00 0.00 C ATOM 1446 C ASP A 101 7.551 60.416 -37.471 1.00 0.00 C ATOM 1447 O ASP A 101 7.410 61.366 -38.241 1.00 0.00 O ATOM 1448 CB ASP A 101 7.688 61.389 -35.170 1.00 0.00 C ATOM 1449 CG ASP A 101 8.108 62.659 -35.884 1.00 0.00 C ATOM 1450 OD1 ASP A 101 9.126 62.626 -36.606 1.00 0.00 O ATOM 1451 OD2 ASP A 101 7.417 63.687 -35.720 1.00 0.00 O1- ATOM 0 H ASP A 101 7.695 58.874 -34.917 1.00 0.00 H new ATOM 0 HA ASP A 101 5.891 60.783 -36.177 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.067 61.646 -34.312 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.573 60.884 -34.783 1.00 0.00 H new ATOM 1456 N SER A 102 8.250 59.330 -37.785 1.00 0.00 N ATOM 1457 CA SER A 102 8.910 59.189 -39.077 1.00 0.00 C ATOM 1458 C SER A 102 8.022 58.433 -40.060 1.00 0.00 C ATOM 1459 O SER A 102 8.001 58.732 -41.254 1.00 0.00 O ATOM 1460 CB SER A 102 10.246 58.463 -38.916 1.00 0.00 C ATOM 1461 OG SER A 102 11.157 58.840 -39.933 1.00 0.00 O ATOM 0 H SER A 102 8.374 58.533 -37.160 1.00 0.00 H new ATOM 0 HA SER A 102 9.094 60.187 -39.474 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.672 58.691 -37.939 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.084 57.386 -38.949 1.00 0.00 H new ATOM 0 HG SER A 102 12.004 58.363 -39.807 1.00 0.00 H new ATOM 1467 N VAL A 103 7.289 57.447 -39.549 1.00 0.00 N ATOM 1468 CA VAL A 103 6.398 56.648 -40.381 1.00 0.00 C ATOM 1469 C VAL A 103 5.143 57.429 -40.749 1.00 0.00 C ATOM 1470 O VAL A 103 4.487 57.134 -41.750 1.00 0.00 O ATOM 1471 CB VAL A 103 5.988 55.343 -39.670 1.00 0.00 C ATOM 1472 CG1 VAL A 103 4.976 54.577 -40.506 1.00 0.00 C ATOM 1473 CG2 VAL A 103 7.211 54.488 -39.381 1.00 0.00 C ATOM 0 H VAL A 103 7.295 57.184 -38.564 1.00 0.00 H new ATOM 0 HA VAL A 103 6.948 56.402 -41.289 1.00 0.00 H new ATOM 0 HB VAL A 103 5.519 55.598 -38.719 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.698 53.659 -39.989 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.089 55.192 -40.657 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.415 54.330 -41.473 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.903 53.571 -38.879 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.710 54.239 -40.317 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.898 55.040 -38.739 1.00 0.00 H new ATOM 1483 N ILE A 104 4.812 58.427 -39.937 1.00 0.00 N ATOM 1484 CA ILE A 104 3.635 59.252 -40.180 1.00 0.00 C ATOM 1485 C ILE A 104 4.001 60.517 -40.949 1.00 0.00 C ATOM 1486 O ILE A 104 3.174 61.079 -41.666 1.00 0.00 O ATOM 1487 CB ILE A 104 2.944 59.647 -38.861 1.00 0.00 C ATOM 1488 CG1 ILE A 104 2.510 58.397 -38.093 1.00 0.00 C ATOM 1489 CG2 ILE A 104 1.748 60.546 -39.140 1.00 0.00 C ATOM 1490 CD1 ILE A 104 1.966 58.695 -36.713 1.00 0.00 C ATOM 0 H ILE A 104 5.343 58.684 -39.105 1.00 0.00 H new ATOM 0 HA ILE A 104 2.946 58.654 -40.777 1.00 0.00 H new ATOM 0 HB ILE A 104 3.654 60.199 -38.246 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.748 57.872 -38.670 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.361 57.723 -38.001 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.269 60.817 -38.199 1.00 0.00 H new ATOM 0 HG22 ILE A 104 2.083 61.449 -39.650 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.034 60.016 -39.771 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.678 57.763 -36.226 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.733 59.193 -36.119 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.095 59.344 -36.798 1.00 0.00 H new ATOM 1502 N SER A 105 5.245 60.958 -40.796 1.00 0.00 N ATOM 1503 CA SER A 105 5.719 62.158 -41.475 1.00 0.00 C ATOM 1504 C SER A 105 6.255 61.822 -42.863 1.00 0.00 C ATOM 1505 O SER A 105 6.339 62.687 -43.735 1.00 0.00 O ATOM 1506 CB SER A 105 6.808 62.841 -40.646 1.00 0.00 C ATOM 1507 OG SER A 105 7.381 63.927 -41.353 1.00 0.00 O ATOM 0 H SER A 105 5.943 60.502 -40.208 1.00 0.00 H new ATOM 0 HA SER A 105 4.876 62.840 -41.587 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.385 63.197 -39.707 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.584 62.118 -40.392 1.00 0.00 H new ATOM 0 HG SER A 105 8.073 64.348 -40.801 1.00 0.00 H new ATOM 1513 N LEU A 106 6.617 60.559 -43.060 1.00 0.00 N ATOM 1514 CA LEU A 106 7.146 60.105 -44.342 1.00 0.00 C ATOM 1515 C LEU A 106 6.015 59.714 -45.288 1.00 0.00 C ATOM 1516 O LEU A 106 6.075 59.984 -46.487 1.00 0.00 O ATOM 1517 CB LEU A 106 8.088 58.920 -44.136 1.00 0.00 C ATOM 1518 CG LEU A 106 8.798 58.402 -45.387 1.00 0.00 C ATOM 1519 CD1 LEU A 106 10.306 58.516 -45.231 1.00 0.00 C ATOM 1520 CD2 LEU A 106 8.398 56.960 -45.670 1.00 0.00 C ATOM 0 H LEU A 106 6.554 59.831 -42.348 1.00 0.00 H new ATOM 0 HA LEU A 106 7.702 60.928 -44.791 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.845 59.206 -43.405 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.518 58.100 -43.700 1.00 0.00 H new ATOM 0 HG LEU A 106 8.493 59.016 -46.234 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.794 58.143 -46.131 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.578 59.560 -45.077 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.629 57.927 -44.372 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.913 56.608 -46.564 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.673 56.333 -44.822 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.321 56.905 -45.827 1.00 0.00 H new ATOM 1532 N SER A 107 4.985 59.076 -44.741 1.00 0.00 N ATOM 1533 CA SER A 107 3.842 58.644 -45.537 1.00 0.00 C ATOM 1534 C SER A 107 2.692 59.639 -45.418 1.00 0.00 C ATOM 1535 O SER A 107 1.945 59.857 -46.372 1.00 0.00 O ATOM 1536 CB SER A 107 3.378 57.256 -45.091 1.00 0.00 C ATOM 1537 OG SER A 107 2.234 57.342 -44.259 1.00 0.00 O ATOM 0 H SER A 107 4.919 58.847 -43.749 1.00 0.00 H new ATOM 0 HA SER A 107 4.154 58.597 -46.580 1.00 0.00 H new ATOM 0 HB2 SER A 107 3.150 56.647 -45.966 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.184 56.755 -44.555 1.00 0.00 H new ATOM 0 HG SER A 107 1.957 56.441 -43.989 1.00 0.00 H new ATOM 1543 N GLY A 108 2.556 60.240 -44.240 1.00 0.00 N ATOM 1544 CA GLY A 108 1.496 61.206 -44.017 1.00 0.00 C ATOM 1545 C GLY A 108 1.840 62.581 -44.554 1.00 0.00 C ATOM 1546 O GLY A 108 1.070 63.528 -44.395 1.00 0.00 O ATOM 0 H GLY A 108 3.161 60.075 -43.436 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.581 60.853 -44.492 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.293 61.277 -42.948 1.00 0.00 H new ATOM 1550 N ASP A 109 3.002 62.692 -45.191 1.00 0.00 N ATOM 1551 CA ASP A 109 3.446 63.961 -45.753 1.00 0.00 C ATOM 1552 C ASP A 109 3.969 63.772 -47.173 1.00 0.00 C ATOM 1553 O ASP A 109 4.503 64.704 -47.779 1.00 0.00 O ATOM 1554 CB ASP A 109 4.533 64.580 -44.872 1.00 0.00 C ATOM 1555 CG ASP A 109 4.326 66.065 -44.654 1.00 0.00 C ATOM 1556 OD1 ASP A 109 4.308 66.816 -45.654 1.00 0.00 O ATOM 1557 OD2 ASP A 109 4.181 66.477 -43.485 1.00 0.00 O1- ATOM 0 H ASP A 109 3.652 61.918 -45.330 1.00 0.00 H new ATOM 0 HA ASP A 109 2.590 64.635 -45.788 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.547 64.073 -43.907 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.507 64.416 -45.333 1.00 0.00 H new ATOM 1562 N HIS A 110 3.816 62.561 -47.699 1.00 0.00 N ATOM 1563 CA HIS A 110 4.275 62.250 -49.049 1.00 0.00 C ATOM 1564 C HIS A 110 3.135 61.688 -49.894 1.00 0.00 C ATOM 1565 O HIS A 110 3.210 61.672 -51.122 1.00 0.00 O ATOM 1566 CB HIS A 110 5.430 61.250 -48.999 1.00 0.00 C ATOM 1567 CG HIS A 110 6.230 61.196 -50.264 1.00 0.00 C ATOM 1568 ND1 HIS A 110 6.956 62.269 -50.741 1.00 0.00 N ATOM 1569 CD2 HIS A 110 6.419 60.192 -51.152 1.00 0.00 C ATOM 1570 CE1 HIS A 110 7.554 61.927 -51.869 1.00 0.00 C ATOM 1571 NE2 HIS A 110 7.245 60.671 -52.139 1.00 0.00 N ATOM 0 H HIS A 110 3.378 61.779 -47.212 1.00 0.00 H new ATOM 0 HA HIS A 110 4.624 63.174 -49.510 1.00 0.00 H new ATOM 0 HB2 HIS A 110 6.090 61.511 -48.172 1.00 0.00 H new ATOM 0 HB3 HIS A 110 5.032 60.258 -48.788 1.00 0.00 H new ATOM 0 HD2 HIS A 110 5.998 59.199 -51.095 1.00 0.00 H new ATOM 0 HE1 HIS A 110 8.187 62.565 -52.468 1.00 0.00 H new ATOM 0 HE2 HIS A 110 7.568 60.143 -52.950 1.00 0.00 H new ATOM 1579 N CYS A 111 2.083 61.226 -49.227 1.00 0.00 N ATOM 1580 CA CYS A 111 0.928 60.660 -49.916 1.00 0.00 C ATOM 1581 C CYS A 111 -0.319 61.502 -49.669 1.00 0.00 C ATOM 1582 O CYS A 111 -1.217 61.561 -50.508 1.00 0.00 O ATOM 1583 CB CYS A 111 0.686 59.221 -49.455 1.00 0.00 C ATOM 1584 SG CYS A 111 -0.150 58.186 -50.678 1.00 0.00 S ATOM 0 H CYS A 111 2.006 61.232 -48.210 1.00 0.00 H new ATOM 0 HA CYS A 111 1.139 60.660 -50.985 1.00 0.00 H new ATOM 0 HB2 CYS A 111 1.644 58.766 -49.203 1.00 0.00 H new ATOM 0 HB3 CYS A 111 0.091 59.238 -48.542 1.00 0.00 H new ATOM 0 HG CYS A 111 -0.308 56.988 -50.198 1.00 0.00 H new ATOM 1590 N ILE A 112 -0.368 62.152 -48.512 1.00 0.00 N ATOM 1591 CA ILE A 112 -1.504 62.991 -48.153 1.00 0.00 C ATOM 1592 C ILE A 112 -1.193 64.467 -48.380 1.00 0.00 C ATOM 1593 O ILE A 112 -2.016 65.210 -48.915 1.00 0.00 O ATOM 1594 CB ILE A 112 -1.915 62.786 -46.683 1.00 0.00 C ATOM 1595 CG1 ILE A 112 -2.203 61.308 -46.413 1.00 0.00 C ATOM 1596 CG2 ILE A 112 -3.130 63.639 -46.350 1.00 0.00 C ATOM 1597 CD1 ILE A 112 -2.350 60.980 -44.944 1.00 0.00 C ATOM 0 H ILE A 112 0.367 62.114 -47.806 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.330 62.693 -48.798 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.090 63.098 -46.042 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.117 61.023 -46.934 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.397 60.706 -46.832 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.409 63.484 -45.308 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -2.891 64.691 -46.509 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -3.962 63.355 -46.994 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -2.553 59.915 -44.827 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -1.428 61.233 -44.421 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.175 61.555 -44.524 1.00 0.00 H new ATOM 1609 N ILE A 113 0.002 64.882 -47.975 1.00 0.00 N ATOM 1610 CA ILE A 113 0.423 66.269 -48.137 1.00 0.00 C ATOM 1611 C ILE A 113 1.297 66.437 -49.376 1.00 0.00 C ATOM 1612 O ILE A 113 0.976 67.213 -50.275 1.00 0.00 O ATOM 1613 CB ILE A 113 1.199 66.769 -46.904 1.00 0.00 C ATOM 1614 CG1 ILE A 113 0.407 66.484 -45.627 1.00 0.00 C ATOM 1615 CG2 ILE A 113 1.493 68.256 -47.032 1.00 0.00 C ATOM 1616 CD1 ILE A 113 1.162 66.824 -44.360 1.00 0.00 C ATOM 0 H ILE A 113 0.696 64.279 -47.533 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.484 66.863 -48.251 1.00 0.00 H new ATOM 0 HB ILE A 113 2.147 66.235 -46.847 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.522 67.053 -45.651 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.134 65.429 -45.606 1.00 0.00 H new ATOM 0 HG21 ILE A 113 2.042 68.595 -46.153 1.00 0.00 H new ATOM 0 HG22 ILE A 113 2.093 68.433 -47.925 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.556 68.807 -47.109 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.540 66.597 -43.494 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.078 66.236 -44.314 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.412 67.885 -44.359 1.00 0.00 H new ATOM 1628 N GLY A 114 2.404 65.701 -49.417 1.00 0.00 N ATOM 1629 CA GLY A 114 3.306 65.780 -50.551 1.00 0.00 C ATOM 1630 C GLY A 114 2.624 65.430 -51.860 1.00 0.00 C ATOM 1631 O GLY A 114 3.047 65.877 -52.924 1.00 0.00 O ATOM 0 H GLY A 114 2.692 65.052 -48.685 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.715 66.788 -50.616 1.00 0.00 H new ATOM 0 HA3 GLY A 114 4.146 65.105 -50.391 1.00 0.00 H new ATOM 1635 N ARG A 115 1.568 64.627 -51.779 1.00 0.00 N ATOM 1636 CA ARG A 115 0.830 64.216 -52.967 1.00 0.00 C ATOM 1637 C ARG A 115 0.256 65.426 -53.697 1.00 0.00 C ATOM 1638 O ARG A 115 0.560 65.661 -54.867 1.00 0.00 O ATOM 1639 CB ARG A 115 -0.298 63.256 -52.584 1.00 0.00 C ATOM 1640 CG ARG A 115 -1.225 62.915 -53.739 1.00 0.00 C ATOM 1641 CD ARG A 115 -2.492 63.756 -53.706 1.00 0.00 C ATOM 1642 NE ARG A 115 -3.696 62.932 -53.686 1.00 0.00 N ATOM 1643 CZ ARG A 115 -4.915 63.417 -53.482 1.00 0.00 C ATOM 1644 NH1 ARG A 115 -5.091 64.716 -53.282 1.00 0.00 N1+ ATOM 1645 NH2 ARG A 115 -5.964 62.603 -53.480 1.00 0.00 N ATOM 0 H ARG A 115 1.205 64.249 -50.904 1.00 0.00 H new ATOM 0 HA ARG A 115 1.523 63.705 -53.636 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.136 62.336 -52.194 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.883 63.699 -51.778 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.705 63.076 -54.683 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -1.488 61.858 -53.696 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -2.478 64.398 -52.825 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -2.515 64.410 -54.577 1.00 0.00 H new ATOM 0 HE ARG A 115 -3.596 61.928 -53.837 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -4.289 65.346 -53.285 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -6.029 65.085 -53.126 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -5.834 61.603 -53.635 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.900 62.977 -53.323 1.00 0.00 H new ATOM 1659 N THR A 116 -0.576 66.192 -52.999 1.00 0.00 N ATOM 1660 CA THR A 116 -1.194 67.377 -53.581 1.00 0.00 C ATOM 1661 C THR A 116 -0.171 68.493 -53.773 1.00 0.00 C ATOM 1662 O THR A 116 -0.413 69.450 -54.508 1.00 0.00 O ATOM 1663 CB THR A 116 -2.346 67.899 -52.703 1.00 0.00 C ATOM 1664 OG1 THR A 116 -2.633 66.958 -51.661 1.00 0.00 O ATOM 1665 CG2 THR A 116 -3.596 68.138 -53.535 1.00 0.00 C ATOM 0 H THR A 116 -0.838 66.013 -52.030 1.00 0.00 H new ATOM 0 HA THR A 116 -1.592 67.081 -54.552 1.00 0.00 H new ATOM 0 HB THR A 116 -2.036 68.846 -52.262 1.00 0.00 H new ATOM 0 HG1 THR A 116 -3.366 67.298 -51.106 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.396 68.506 -52.893 1.00 0.00 H new ATOM 0 HG22 THR A 116 -3.383 68.876 -54.308 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.907 67.203 -54.001 1.00 0.00 H new ATOM 1673 N LEU A 117 0.970 68.361 -53.109 1.00 0.00 N ATOM 1674 CA LEU A 117 2.031 69.358 -53.208 1.00 0.00 C ATOM 1675 C LEU A 117 2.911 69.099 -54.427 1.00 0.00 C ATOM 1676 O LEU A 117 3.480 70.027 -55.004 1.00 0.00 O ATOM 1677 CB LEU A 117 2.886 69.349 -51.939 1.00 0.00 C ATOM 1678 CG LEU A 117 3.934 70.457 -51.828 1.00 0.00 C ATOM 1679 CD1 LEU A 117 3.917 71.072 -50.437 1.00 0.00 C ATOM 1680 CD2 LEU A 117 5.317 69.918 -52.157 1.00 0.00 C ATOM 0 H LEU A 117 1.186 67.575 -52.496 1.00 0.00 H new ATOM 0 HA LEU A 117 1.565 70.337 -53.320 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.222 69.417 -51.077 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.395 68.387 -51.875 1.00 0.00 H new ATOM 0 HG LEU A 117 3.688 71.236 -52.550 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.670 71.858 -50.378 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.933 71.496 -50.239 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.137 70.303 -49.696 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.050 70.721 -52.073 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.572 69.120 -51.460 1.00 0.00 H new ATOM 0 HD23 LEU A 117 5.323 69.527 -53.174 1.00 0.00 H new ATOM 1692 N VAL A 118 3.016 67.833 -54.817 1.00 0.00 N ATOM 1693 CA VAL A 118 3.822 67.451 -55.969 1.00 0.00 C ATOM 1694 C VAL A 118 2.953 67.241 -57.204 1.00 0.00 C ATOM 1695 O VAL A 118 3.399 67.448 -58.332 1.00 0.00 O ATOM 1696 CB VAL A 118 4.623 66.164 -55.694 1.00 0.00 C ATOM 1697 CG1 VAL A 118 5.452 66.311 -54.430 1.00 0.00 C ATOM 1698 CG2 VAL A 118 3.689 64.969 -55.591 1.00 0.00 C ATOM 0 H VAL A 118 2.552 67.054 -54.351 1.00 0.00 H new ATOM 0 HA VAL A 118 4.517 68.270 -56.152 1.00 0.00 H new ATOM 0 HB VAL A 118 5.304 65.995 -56.528 1.00 0.00 H new ATOM 0 HG11 VAL A 118 6.011 65.392 -54.252 1.00 0.00 H new ATOM 0 HG12 VAL A 118 6.148 67.142 -54.546 1.00 0.00 H new ATOM 0 HG13 VAL A 118 4.793 66.505 -53.583 1.00 0.00 H new ATOM 0 HG21 VAL A 118 4.271 64.068 -55.397 1.00 0.00 H new ATOM 0 HG22 VAL A 118 2.983 65.128 -54.776 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.142 64.853 -56.527 1.00 0.00 H new ATOM 1708 N VAL A 119 1.709 66.830 -56.981 1.00 0.00 N ATOM 1709 CA VAL A 119 0.774 66.592 -58.075 1.00 0.00 C ATOM 1710 C VAL A 119 0.529 67.868 -58.873 1.00 0.00 C ATOM 1711 O VAL A 119 0.977 67.996 -60.013 1.00 0.00 O ATOM 1712 CB VAL A 119 -0.573 66.059 -57.555 1.00 0.00 C ATOM 1713 CG1 VAL A 119 -1.670 66.287 -58.584 1.00 0.00 C ATOM 1714 CG2 VAL A 119 -0.460 64.582 -57.203 1.00 0.00 C ATOM 0 H VAL A 119 1.325 66.655 -56.053 1.00 0.00 H new ATOM 0 HA VAL A 119 1.227 65.842 -58.723 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.837 66.607 -56.650 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.615 65.904 -58.199 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.765 67.354 -58.784 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.417 65.766 -59.507 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -1.421 64.221 -56.837 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -0.174 64.017 -58.090 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.296 64.449 -56.429 1.00 0.00 H new ATOM 1724 N HIS A 120 -0.185 68.811 -58.268 1.00 0.00 N ATOM 1725 CA HIS A 120 -0.490 70.078 -58.922 1.00 0.00 C ATOM 1726 C HIS A 120 -0.229 71.252 -57.983 1.00 0.00 C ATOM 1727 O HIS A 120 0.202 72.320 -58.414 1.00 0.00 O ATOM 1728 CB HIS A 120 -1.946 70.099 -59.391 1.00 0.00 C ATOM 1729 CG HIS A 120 -2.239 69.112 -60.479 1.00 0.00 C ATOM 1730 ND1 HIS A 120 -3.330 68.270 -60.458 1.00 0.00 N ATOM 1731 CD2 HIS A 120 -1.575 68.837 -61.626 1.00 0.00 C ATOM 1732 CE1 HIS A 120 -3.325 67.518 -61.543 1.00 0.00 C ATOM 1733 NE2 HIS A 120 -2.271 67.845 -62.270 1.00 0.00 N ATOM 0 H HIS A 120 -0.564 68.722 -57.325 1.00 0.00 H new ATOM 0 HA HIS A 120 0.164 70.176 -59.789 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -2.596 69.893 -58.541 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -2.191 71.101 -59.745 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -0.667 69.310 -61.970 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -4.057 66.765 -61.794 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -2.016 67.428 -63.165 1.00 0.00 H new ATOM 1741 N GLU A 121 -0.496 71.044 -56.697 1.00 0.00 N ATOM 1742 CA GLU A 121 -0.291 72.087 -55.698 1.00 0.00 C ATOM 1743 C GLU A 121 -0.902 73.407 -56.155 1.00 0.00 C ATOM 1744 O GLU A 121 -0.352 74.480 -55.905 1.00 0.00 O ATOM 1745 CB GLU A 121 1.203 72.271 -55.419 1.00 0.00 C ATOM 1746 CG GLU A 121 1.492 73.111 -54.187 1.00 0.00 C ATOM 1747 CD GLU A 121 2.699 74.012 -54.365 1.00 0.00 C ATOM 1748 OE1 GLU A 121 3.477 73.779 -55.314 1.00 0.00 O ATOM 1749 OE2 GLU A 121 2.864 74.949 -53.557 1.00 0.00 O1- ATOM 0 H GLU A 121 -0.854 70.165 -56.323 1.00 0.00 H new ATOM 0 HA GLU A 121 -0.789 71.777 -54.779 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.665 71.291 -55.297 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.671 72.738 -56.285 1.00 0.00 H new ATOM 0 HG2 GLU A 121 0.619 73.721 -53.955 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.657 72.453 -53.334 1.00 0.00 H new