USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 532 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 33 TYR OH : rot -76:sc= 1.09 USER MOD Set 1.2: A 37 ASN : amide:sc= -2.53 K(o=-1.4,f=-4.4) USER MOD Set 1.3: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -155:sc= -0.339 (180deg=-1.38!) USER MOD Single : A 27 THR OG1 : rot -116:sc= 1.07 USER MOD Single : A 34 THR OG1 : rot -78:sc= 0.654 USER MOD Single : A 35 ASN : amide:sc= -5.61! C(o=-5.6!,f=-5.9!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.609) USER MOD Single : A 49 THR OG1 : rot 87:sc= 0.0673 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0855 USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0064) USER MOD Single : A 54 GLN : amide:sc= -2.75 X(o=-2.7,f=-2.4) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0467) USER MOD Single : A 61 LYS NZ :NH3+ 159:sc= -0.0425 (180deg=-0.287) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00797 USER MOD Single : A 65 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.059) USER MOD Single : A 72 GLN : amide:sc= -0.982 K(o=-0.98,f=-0.14) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.852 K(o=0.85,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 197 N TRP A 16 -0.034 -5.891 -1.643 1.00 0.00 N ATOM 198 CA TRP A 16 -0.857 -5.163 -0.683 1.00 0.00 C ATOM 199 C TRP A 16 -0.674 -5.720 0.724 1.00 0.00 C ATOM 200 O TRP A 16 -0.418 -4.973 1.668 1.00 0.00 O ATOM 201 CB TRP A 16 -2.331 -5.235 -1.086 1.00 0.00 C ATOM 202 CG TRP A 16 -2.666 -4.381 -2.271 1.00 0.00 C ATOM 203 CD1 TRP A 16 -1.813 -3.981 -3.260 1.00 0.00 C ATOM 204 CD2 TRP A 16 -3.944 -3.819 -2.589 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.484 -3.205 -4.174 1.00 0.00 N ATOM 206 CE2 TRP A 16 -3.793 -3.092 -3.786 1.00 0.00 C ATOM 207 CE3 TRP A 16 -5.201 -3.862 -1.980 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -4.852 -2.413 -4.382 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.251 -3.187 -2.574 1.00 0.00 C ATOM 210 CH2 TRP A 16 -6.072 -2.472 -3.765 1.00 0.00 C ATOM 0 HA TRP A 16 -0.538 -4.121 -0.685 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.589 -6.270 -1.309 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.947 -4.928 -0.241 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.765 -4.237 -3.315 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.074 -2.782 -5.006 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.349 -4.412 -1.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.716 -1.859 -5.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.227 -3.211 -2.112 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -6.913 -1.957 -4.205 1.00 0.00 H new ATOM 221 N GLU A 17 -0.805 -7.036 0.856 1.00 0.00 N ATOM 222 CA GLU A 17 -0.654 -7.692 2.150 1.00 0.00 C ATOM 223 C GLU A 17 0.661 -7.292 2.813 1.00 0.00 C ATOM 224 O GLU A 17 0.725 -7.100 4.027 1.00 0.00 O ATOM 225 CB GLU A 17 -0.713 -9.212 1.986 1.00 0.00 C ATOM 226 CG GLU A 17 -0.400 -9.975 3.263 1.00 0.00 C ATOM 227 CD GLU A 17 -1.601 -10.090 4.182 1.00 0.00 C ATOM 228 OE1 GLU A 17 -1.910 -9.102 4.880 1.00 0.00 O ATOM 229 OE2 GLU A 17 -2.230 -11.169 4.205 1.00 0.00 O ATOM 0 H GLU A 17 -1.015 -7.669 0.084 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.476 -7.370 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.707 -9.493 1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.008 -9.513 1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.045 -10.974 3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.411 -9.474 3.792 1.00 0.00 H new ATOM 236 N LYS A 18 1.709 -7.168 2.006 1.00 0.00 N ATOM 237 CA LYS A 18 3.024 -6.790 2.511 1.00 0.00 C ATOM 238 C LYS A 18 3.061 -5.310 2.877 1.00 0.00 C ATOM 239 O LYS A 18 3.441 -4.946 3.989 1.00 0.00 O ATOM 240 CB LYS A 18 4.101 -7.096 1.468 1.00 0.00 C ATOM 241 CG LYS A 18 4.602 -8.529 1.513 1.00 0.00 C ATOM 242 CD LYS A 18 5.471 -8.855 0.309 1.00 0.00 C ATOM 243 CE LYS A 18 6.869 -8.276 0.459 1.00 0.00 C ATOM 244 NZ LYS A 18 7.890 -9.102 -0.244 1.00 0.00 N ATOM 0 H LYS A 18 1.673 -7.324 0.999 1.00 0.00 H new ATOM 0 HA LYS A 18 3.222 -7.374 3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.702 -6.891 0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.943 -6.421 1.619 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.173 -8.687 2.428 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.753 -9.211 1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.535 -9.936 0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.007 -8.459 -0.594 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.886 -7.261 0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.122 -8.208 1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.829 -8.674 -0.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.891 -10.064 0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.663 -9.146 -1.258 1.00 0.00 H new ATOM 258 N GLU A 19 2.664 -4.461 1.933 1.00 0.00 N ATOM 259 CA GLU A 19 2.652 -3.021 2.159 1.00 0.00 C ATOM 260 C GLU A 19 1.750 -2.661 3.335 1.00 0.00 C ATOM 261 O GLU A 19 1.979 -1.669 4.025 1.00 0.00 O ATOM 262 CB GLU A 19 2.182 -2.289 0.899 1.00 0.00 C ATOM 263 CG GLU A 19 2.860 -2.770 -0.373 1.00 0.00 C ATOM 264 CD GLU A 19 4.283 -3.237 -0.135 1.00 0.00 C ATOM 265 OE1 GLU A 19 4.464 -4.402 0.276 1.00 0.00 O ATOM 266 OE2 GLU A 19 5.216 -2.437 -0.360 1.00 0.00 O ATOM 0 H GLU A 19 2.347 -4.746 1.006 1.00 0.00 H new ATOM 0 HA GLU A 19 3.669 -2.708 2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.104 -2.415 0.796 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.368 -1.222 1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.280 -3.587 -0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.864 -1.963 -1.106 1.00 0.00 H new ATOM 273 N GLU A 20 0.723 -3.476 3.557 1.00 0.00 N ATOM 274 CA GLU A 20 -0.214 -3.243 4.649 1.00 0.00 C ATOM 275 C GLU A 20 0.511 -3.211 5.991 1.00 0.00 C ATOM 276 O GLU A 20 0.050 -2.582 6.943 1.00 0.00 O ATOM 277 CB GLU A 20 -1.292 -4.329 4.666 1.00 0.00 C ATOM 278 CG GLU A 20 -2.519 -3.981 3.839 1.00 0.00 C ATOM 279 CD GLU A 20 -3.434 -2.995 4.539 1.00 0.00 C ATOM 280 OE1 GLU A 20 -4.080 -3.389 5.533 1.00 0.00 O ATOM 281 OE2 GLU A 20 -3.504 -1.831 4.094 1.00 0.00 O ATOM 0 H GLU A 20 0.519 -4.303 2.995 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.686 -2.274 4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.864 -5.260 4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.598 -4.510 5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.202 -3.562 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.074 -4.893 3.618 1.00 0.00 H new ATOM 288 N ALA A 21 1.649 -3.895 6.059 1.00 0.00 N ATOM 289 CA ALA A 21 2.439 -3.944 7.283 1.00 0.00 C ATOM 290 C ALA A 21 3.272 -2.677 7.450 1.00 0.00 C ATOM 291 O ALA A 21 3.516 -2.226 8.569 1.00 0.00 O ATOM 292 CB ALA A 21 3.337 -5.172 7.282 1.00 0.00 C ATOM 0 H ALA A 21 2.044 -4.423 5.281 1.00 0.00 H new ATOM 0 HA ALA A 21 1.753 -4.010 8.127 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.921 -5.196 8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.724 -6.071 7.218 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.010 -5.130 6.426 1.00 0.00 H new ATOM 298 N LEU A 22 3.706 -2.109 6.330 1.00 0.00 N ATOM 299 CA LEU A 22 4.512 -0.893 6.353 1.00 0.00 C ATOM 300 C LEU A 22 3.676 0.308 6.781 1.00 0.00 C ATOM 301 O LEU A 22 4.213 1.357 7.135 1.00 0.00 O ATOM 302 CB LEU A 22 5.123 -0.638 4.974 1.00 0.00 C ATOM 303 CG LEU A 22 6.008 -1.753 4.414 1.00 0.00 C ATOM 304 CD1 LEU A 22 6.255 -1.543 2.928 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.326 -1.819 5.172 1.00 0.00 C ATOM 0 H LEU A 22 3.514 -2.470 5.396 1.00 0.00 H new ATOM 0 HA LEU A 22 5.313 -1.031 7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.313 -0.456 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.714 0.277 5.024 1.00 0.00 H new ATOM 0 HG LEU A 22 5.489 -2.703 4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.886 -2.346 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.303 -1.547 2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.753 -0.586 2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.943 -2.618 4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.850 -0.868 5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.130 -2.018 6.226 1.00 0.00 H new ATOM 317 N GLY A 23 2.356 0.146 6.749 1.00 0.00 N ATOM 318 CA GLY A 23 1.467 1.224 7.139 1.00 0.00 C ATOM 319 C GLY A 23 1.665 2.471 6.300 1.00 0.00 C ATOM 320 O GLY A 23 1.510 2.435 5.079 1.00 0.00 O ATOM 0 H GLY A 23 1.887 -0.713 6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.434 0.889 7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.633 1.466 8.189 1.00 0.00 H new ATOM 324 N GLU A 24 2.006 3.576 6.955 1.00 0.00 N ATOM 325 CA GLU A 24 2.222 4.839 6.260 1.00 0.00 C ATOM 326 C GLU A 24 3.338 4.708 5.228 1.00 0.00 C ATOM 327 O GLU A 24 3.469 5.540 4.331 1.00 0.00 O ATOM 328 CB GLU A 24 2.566 5.945 7.261 1.00 0.00 C ATOM 329 CG GLU A 24 1.464 6.213 8.273 1.00 0.00 C ATOM 330 CD GLU A 24 1.933 7.074 9.430 1.00 0.00 C ATOM 331 OE1 GLU A 24 3.068 6.863 9.906 1.00 0.00 O ATOM 332 OE2 GLU A 24 1.163 7.959 9.860 1.00 0.00 O ATOM 0 H GLU A 24 2.139 3.622 7.965 1.00 0.00 H new ATOM 0 HA GLU A 24 1.300 5.101 5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.478 5.672 7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.778 6.864 6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.629 6.705 7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.091 5.264 8.659 1.00 0.00 H new ATOM 339 N MET A 25 4.141 3.658 5.363 1.00 0.00 N ATOM 340 CA MET A 25 5.246 3.417 4.442 1.00 0.00 C ATOM 341 C MET A 25 4.768 2.661 3.206 1.00 0.00 C ATOM 342 O MET A 25 5.513 2.498 2.240 1.00 0.00 O ATOM 343 CB MET A 25 6.356 2.629 5.138 1.00 0.00 C ATOM 344 CG MET A 25 7.432 3.509 5.753 1.00 0.00 C ATOM 345 SD MET A 25 8.499 4.271 4.514 1.00 0.00 S ATOM 346 CE MET A 25 9.129 2.821 3.673 1.00 0.00 C ATOM 0 H MET A 25 4.047 2.960 6.101 1.00 0.00 H new ATOM 0 HA MET A 25 5.640 4.383 4.126 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.915 2.009 5.919 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.818 1.954 4.417 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.960 4.289 6.350 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.040 2.912 6.432 1.00 0.00 H new ATOM 0 HE1 MET A 25 10.089 3.056 3.212 1.00 0.00 H new ATOM 0 HE2 MET A 25 9.260 2.012 4.391 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.423 2.512 2.903 1.00 0.00 H new ATOM 356 N ALA A 26 3.521 2.202 3.243 1.00 0.00 N ATOM 357 CA ALA A 26 2.945 1.465 2.126 1.00 0.00 C ATOM 358 C ALA A 26 3.414 2.035 0.792 1.00 0.00 C ATOM 359 O ALA A 26 3.358 3.245 0.567 1.00 0.00 O ATOM 360 CB ALA A 26 1.425 1.488 2.206 1.00 0.00 C ATOM 0 H ALA A 26 2.891 2.328 4.035 1.00 0.00 H new ATOM 0 HA ALA A 26 3.286 0.432 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.008 0.934 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.103 1.028 3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.074 2.519 2.170 1.00 0.00 H new ATOM 366 N THR A 27 3.879 1.157 -0.091 1.00 0.00 N ATOM 367 CA THR A 27 4.360 1.573 -1.403 1.00 0.00 C ATOM 368 C THR A 27 3.224 1.609 -2.419 1.00 0.00 C ATOM 369 O THR A 27 3.453 1.795 -3.614 1.00 0.00 O ATOM 370 CB THR A 27 5.466 0.633 -1.919 1.00 0.00 C ATOM 371 OG1 THR A 27 4.951 -0.695 -2.067 1.00 0.00 O ATOM 372 CG2 THR A 27 6.653 0.619 -0.968 1.00 0.00 C ATOM 0 H THR A 27 3.933 0.153 0.079 1.00 0.00 H new ATOM 0 HA THR A 27 4.771 2.576 -1.286 1.00 0.00 H new ATOM 0 HB THR A 27 5.802 1.002 -2.888 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.411 -1.295 -1.444 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.421 -0.052 -1.354 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.061 1.626 -0.881 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.329 0.273 0.013 1.00 0.00 H new ATOM 380 N VAL A 28 1.998 1.432 -1.936 1.00 0.00 N ATOM 381 CA VAL A 28 0.826 1.447 -2.803 1.00 0.00 C ATOM 382 C VAL A 28 -0.093 2.616 -2.465 1.00 0.00 C ATOM 383 O VAL A 28 -0.052 3.150 -1.357 1.00 0.00 O ATOM 384 CB VAL A 28 0.029 0.133 -2.692 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.648 -0.194 -4.014 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.938 -1.005 -2.253 1.00 0.00 C ATOM 0 H VAL A 28 1.791 1.277 -0.949 1.00 0.00 H new ATOM 0 HA VAL A 28 1.189 1.558 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.746 0.261 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.206 -1.125 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.331 0.612 -4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.107 -0.304 -4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.359 -1.926 -2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.736 -1.136 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.371 -0.770 -1.281 1.00 0.00 H new ATOM 396 N ALA A 29 -0.920 3.008 -3.428 1.00 0.00 N ATOM 397 CA ALA A 29 -1.851 4.112 -3.232 1.00 0.00 C ATOM 398 C ALA A 29 -2.973 3.721 -2.275 1.00 0.00 C ATOM 399 O ALA A 29 -3.201 4.365 -1.251 1.00 0.00 O ATOM 400 CB ALA A 29 -2.426 4.561 -4.567 1.00 0.00 C ATOM 0 H ALA A 29 -0.964 2.578 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.303 4.942 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.120 5.386 -4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.617 4.890 -5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.954 3.729 -5.034 1.00 0.00 H new ATOM 406 N PRO A 30 -3.692 2.641 -2.616 1.00 0.00 N ATOM 407 CA PRO A 30 -4.803 2.141 -1.800 1.00 0.00 C ATOM 408 C PRO A 30 -4.328 1.532 -0.485 1.00 0.00 C ATOM 409 O PRO A 30 -4.923 1.760 0.568 1.00 0.00 O ATOM 410 CB PRO A 30 -5.439 1.068 -2.687 1.00 0.00 C ATOM 411 CG PRO A 30 -4.339 0.617 -3.584 1.00 0.00 C ATOM 412 CD PRO A 30 -3.477 1.826 -3.822 1.00 0.00 C ATOM 0 HA PRO A 30 -5.489 2.938 -1.513 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.828 0.242 -2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.275 1.471 -3.258 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.765 -0.187 -3.124 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.735 0.229 -4.523 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.428 1.554 -3.942 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.773 2.359 -4.725 1.00 0.00 H new ATOM 420 N VAL A 31 -3.251 0.755 -0.553 1.00 0.00 N ATOM 421 CA VAL A 31 -2.695 0.114 0.633 1.00 0.00 C ATOM 422 C VAL A 31 -2.168 1.148 1.621 1.00 0.00 C ATOM 423 O VAL A 31 -2.014 0.866 2.809 1.00 0.00 O ATOM 424 CB VAL A 31 -1.556 -0.855 0.264 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.139 -1.675 1.476 1.00 0.00 C ATOM 426 CG2 VAL A 31 -1.978 -1.761 -0.882 1.00 0.00 C ATOM 0 H VAL A 31 -2.747 0.554 -1.417 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.505 -0.448 1.098 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.696 -0.270 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.333 -2.354 1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.793 -1.008 2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.991 -2.252 1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.161 -2.439 -1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.853 -2.340 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.223 -1.155 -1.754 1.00 0.00 H new ATOM 436 N LEU A 32 -1.894 2.349 1.122 1.00 0.00 N ATOM 437 CA LEU A 32 -1.384 3.428 1.961 1.00 0.00 C ATOM 438 C LEU A 32 -2.529 4.224 2.579 1.00 0.00 C ATOM 439 O LEU A 32 -2.547 4.469 3.785 1.00 0.00 O ATOM 440 CB LEU A 32 -0.486 4.356 1.142 1.00 0.00 C ATOM 441 CG LEU A 32 -0.159 5.708 1.778 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.621 5.515 3.069 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.622 6.580 0.806 1.00 0.00 C ATOM 0 H LEU A 32 -2.017 2.600 0.141 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.799 2.984 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.451 3.836 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.965 4.536 0.180 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.096 6.213 2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.845 6.487 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.026 4.929 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.552 4.990 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.846 7.538 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.553 6.081 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.027 6.746 -0.092 1.00 0.00 H new ATOM 455 N TYR A 33 -3.483 4.623 1.745 1.00 0.00 N ATOM 456 CA TYR A 33 -4.631 5.392 2.210 1.00 0.00 C ATOM 457 C TYR A 33 -5.275 4.729 3.424 1.00 0.00 C ATOM 458 O TYR A 33 -5.374 5.330 4.495 1.00 0.00 O ATOM 459 CB TYR A 33 -5.662 5.537 1.088 1.00 0.00 C ATOM 460 CG TYR A 33 -6.974 6.131 1.546 1.00 0.00 C ATOM 461 CD1 TYR A 33 -7.177 7.506 1.537 1.00 0.00 C ATOM 462 CD2 TYR A 33 -8.012 5.319 1.987 1.00 0.00 C ATOM 463 CE1 TYR A 33 -8.375 8.054 1.955 1.00 0.00 C ATOM 464 CE2 TYR A 33 -9.213 5.858 2.404 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.390 7.226 2.387 1.00 0.00 C ATOM 466 OH TYR A 33 -10.584 7.766 2.803 1.00 0.00 O ATOM 0 H TYR A 33 -3.484 4.427 0.744 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.279 6.381 2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.244 6.164 0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.850 4.557 0.649 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -6.385 8.157 1.198 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -7.877 4.248 2.004 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -8.516 9.125 1.943 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.010 5.212 2.742 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.474 8.155 3.696 1.00 0.00 H new ATOM 476 N THR A 34 -5.711 3.486 3.250 1.00 0.00 N ATOM 477 CA THR A 34 -6.346 2.740 4.330 1.00 0.00 C ATOM 478 C THR A 34 -5.469 2.724 5.576 1.00 0.00 C ATOM 479 O THR A 34 -5.912 3.095 6.663 1.00 0.00 O ATOM 480 CB THR A 34 -6.647 1.289 3.909 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.540 0.752 3.175 1.00 0.00 O ATOM 482 CG2 THR A 34 -7.906 1.222 3.058 1.00 0.00 C ATOM 0 H THR A 34 -5.636 2.974 2.371 1.00 0.00 H new ATOM 0 HA THR A 34 -7.284 3.247 4.556 1.00 0.00 H new ATOM 0 HB THR A 34 -6.806 0.698 4.811 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.556 1.099 2.258 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.098 0.188 2.773 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.752 1.604 3.629 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.771 1.826 2.161 1.00 0.00 H new ATOM 490 N ASN A 35 -4.223 2.294 5.412 1.00 0.00 N ATOM 491 CA ASN A 35 -3.283 2.230 6.526 1.00 0.00 C ATOM 492 C ASN A 35 -3.423 3.454 7.426 1.00 0.00 C ATOM 493 O ASN A 35 -3.323 3.352 8.649 1.00 0.00 O ATOM 494 CB ASN A 35 -1.848 2.128 6.005 1.00 0.00 C ATOM 495 CG ASN A 35 -1.467 0.707 5.637 1.00 0.00 C ATOM 496 OD1 ASN A 35 -2.116 -0.251 6.058 1.00 0.00 O ATOM 497 ND2 ASN A 35 -0.408 0.564 4.848 1.00 0.00 N ATOM 0 H ASN A 35 -3.840 1.984 4.519 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.513 1.341 7.113 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.735 2.770 5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.161 2.500 6.765 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.103 -0.368 4.568 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.100 1.386 4.523 1.00 0.00 H new ATOM 504 N ILE A 36 -3.656 4.609 6.813 1.00 0.00 N ATOM 505 CA ILE A 36 -3.811 5.852 7.558 1.00 0.00 C ATOM 506 C ILE A 36 -5.266 6.076 7.957 1.00 0.00 C ATOM 507 O ILE A 36 -5.597 6.118 9.141 1.00 0.00 O ATOM 508 CB ILE A 36 -3.322 7.063 6.743 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.844 6.899 6.382 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.542 8.351 7.522 1.00 0.00 C ATOM 511 CD1 ILE A 36 -1.395 7.796 5.250 1.00 0.00 C ATOM 0 H ILE A 36 -3.742 4.710 5.802 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.200 5.759 8.456 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.899 7.117 5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.238 7.109 7.263 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.659 5.861 6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.191 9.198 6.932 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.605 8.472 7.733 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.988 8.308 8.460 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.337 7.626 5.049 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.976 7.571 4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.548 8.838 5.529 1.00 0.00 H new ATOM 523 N ASN A 37 -6.132 6.218 6.958 1.00 0.00 N ATOM 524 CA ASN A 37 -7.553 6.436 7.204 1.00 0.00 C ATOM 525 C ASN A 37 -8.113 5.370 8.141 1.00 0.00 C ATOM 526 O ASN A 37 -8.675 5.684 9.191 1.00 0.00 O ATOM 527 CB ASN A 37 -8.327 6.428 5.884 1.00 0.00 C ATOM 528 CG ASN A 37 -8.276 7.768 5.176 1.00 0.00 C ATOM 529 OD1 ASN A 37 -9.292 8.450 5.041 1.00 0.00 O ATOM 530 ND2 ASN A 37 -7.090 8.151 4.720 1.00 0.00 N ATOM 0 H ASN A 37 -5.875 6.186 5.972 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.669 7.410 7.680 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.917 5.659 5.230 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.366 6.161 6.077 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.994 9.043 4.235 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.275 7.553 4.855 1.00 0.00 H new ATOM 537 N PHE A 38 -7.955 4.108 7.755 1.00 0.00 N ATOM 538 CA PHE A 38 -8.445 2.996 8.561 1.00 0.00 C ATOM 539 C PHE A 38 -7.289 2.265 9.239 1.00 0.00 C ATOM 540 O PHE A 38 -6.755 1.283 8.723 1.00 0.00 O ATOM 541 CB PHE A 38 -9.240 2.020 7.690 1.00 0.00 C ATOM 542 CG PHE A 38 -10.484 2.620 7.100 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.410 3.455 5.998 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.727 2.348 7.649 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.553 4.009 5.452 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.873 2.898 7.107 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.786 3.730 6.008 1.00 0.00 C ATOM 0 H PHE A 38 -7.492 3.830 6.890 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.099 3.399 9.334 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.601 1.662 6.883 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.514 1.151 8.289 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.448 3.676 5.560 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.801 1.699 8.509 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.482 4.659 4.592 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.836 2.677 7.543 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.681 4.162 5.584 1.00 0.00 H new ATOM 557 N PRO A 39 -6.894 2.755 10.423 1.00 0.00 N ATOM 558 CA PRO A 39 -5.798 2.165 11.197 1.00 0.00 C ATOM 559 C PRO A 39 -6.164 0.802 11.774 1.00 0.00 C ATOM 560 O PRO A 39 -5.361 -0.130 11.747 1.00 0.00 O ATOM 561 CB PRO A 39 -5.573 3.178 12.322 1.00 0.00 C ATOM 562 CG PRO A 39 -6.882 3.874 12.473 1.00 0.00 C ATOM 563 CD PRO A 39 -7.485 3.923 11.097 1.00 0.00 C ATOM 0 HA PRO A 39 -4.916 1.986 10.583 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.279 2.683 13.247 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.778 3.880 12.070 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.532 3.338 13.165 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.746 4.878 12.876 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.573 3.859 11.132 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.237 4.852 10.583 1.00 0.00 H new ATOM 571 N ASN A 40 -7.382 0.692 12.294 1.00 0.00 N ATOM 572 CA ASN A 40 -7.855 -0.558 12.877 1.00 0.00 C ATOM 573 C ASN A 40 -8.502 -1.443 11.816 1.00 0.00 C ATOM 574 O ASN A 40 -9.235 -2.380 12.136 1.00 0.00 O ATOM 575 CB ASN A 40 -8.854 -0.276 14.001 1.00 0.00 C ATOM 576 CG ASN A 40 -8.223 0.468 15.163 1.00 0.00 C ATOM 577 OD1 ASN A 40 -7.234 0.016 15.739 1.00 0.00 O ATOM 578 ND2 ASN A 40 -8.794 1.615 15.511 1.00 0.00 N ATOM 0 H ASN A 40 -8.060 1.454 12.324 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.995 -1.085 13.289 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.685 0.309 13.607 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.269 -1.218 14.359 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.414 2.160 16.285 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.613 1.951 15.005 1.00 0.00 H new ATOM 585 N LEU A 41 -8.227 -1.139 10.553 1.00 0.00 N ATOM 586 CA LEU A 41 -8.782 -1.907 9.443 1.00 0.00 C ATOM 587 C LEU A 41 -8.702 -3.404 9.723 1.00 0.00 C ATOM 588 O LEU A 41 -9.721 -4.096 9.758 1.00 0.00 O ATOM 589 CB LEU A 41 -8.038 -1.578 8.147 1.00 0.00 C ATOM 590 CG LEU A 41 -8.686 -2.079 6.856 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.638 -1.033 6.296 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.621 -2.438 5.830 1.00 0.00 C ATOM 0 H LEU A 41 -7.623 -0.367 10.271 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.831 -1.633 9.332 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.929 -0.496 8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.034 -1.996 8.212 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.260 -2.977 7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.090 -1.407 5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.420 -0.825 7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.087 -0.117 6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.100 -2.793 4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.020 -1.557 5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.979 -3.222 6.231 1.00 0.00 H new ATOM 604 N LYS A 42 -7.486 -3.899 9.925 1.00 0.00 N ATOM 605 CA LYS A 42 -7.272 -5.314 10.206 1.00 0.00 C ATOM 606 C LYS A 42 -8.392 -5.870 11.079 1.00 0.00 C ATOM 607 O LYS A 42 -8.854 -6.991 10.870 1.00 0.00 O ATOM 608 CB LYS A 42 -5.922 -5.519 10.896 1.00 0.00 C ATOM 609 CG LYS A 42 -5.713 -4.620 12.103 1.00 0.00 C ATOM 610 CD LYS A 42 -4.518 -5.065 12.929 1.00 0.00 C ATOM 611 CE LYS A 42 -4.618 -4.571 14.364 1.00 0.00 C ATOM 612 NZ LYS A 42 -5.552 -5.402 15.173 1.00 0.00 N ATOM 0 H LYS A 42 -6.633 -3.341 9.899 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.273 -5.852 9.258 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.838 -6.560 11.210 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.124 -5.338 10.176 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.565 -3.592 11.771 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.609 -4.628 12.724 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.454 -6.153 12.921 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.601 -4.688 12.476 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.629 -4.585 14.823 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.957 -3.535 14.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.949 -4.828 15.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.323 -5.748 14.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.037 -6.212 15.574 1.00 0.00 H new ATOM 626 N GLU A 43 -8.823 -5.079 12.057 1.00 0.00 N ATOM 627 CA GLU A 43 -9.889 -5.494 12.960 1.00 0.00 C ATOM 628 C GLU A 43 -11.201 -5.683 12.204 1.00 0.00 C ATOM 629 O GLU A 43 -11.733 -6.790 12.131 1.00 0.00 O ATOM 630 CB GLU A 43 -10.074 -4.462 14.075 1.00 0.00 C ATOM 631 CG GLU A 43 -8.818 -4.222 14.896 1.00 0.00 C ATOM 632 CD GLU A 43 -9.098 -3.475 16.185 1.00 0.00 C ATOM 633 OE1 GLU A 43 -10.154 -3.731 16.801 1.00 0.00 O ATOM 634 OE2 GLU A 43 -8.263 -2.634 16.578 1.00 0.00 O ATOM 0 H GLU A 43 -8.450 -4.148 12.244 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.604 -6.449 13.402 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.396 -3.518 13.635 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.873 -4.795 14.738 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.352 -5.180 15.129 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.102 -3.656 14.301 1.00 0.00 H new ATOM 641 N GLU A 44 -11.716 -4.593 11.644 1.00 0.00 N ATOM 642 CA GLU A 44 -12.966 -4.638 10.895 1.00 0.00 C ATOM 643 C GLU A 44 -13.012 -5.863 9.985 1.00 0.00 C ATOM 644 O GLU A 44 -14.024 -6.560 9.914 1.00 0.00 O ATOM 645 CB GLU A 44 -13.135 -3.365 10.063 1.00 0.00 C ATOM 646 CG GLU A 44 -13.848 -2.245 10.802 1.00 0.00 C ATOM 647 CD GLU A 44 -15.345 -2.469 10.896 1.00 0.00 C ATOM 648 OE1 GLU A 44 -16.019 -2.427 9.846 1.00 0.00 O ATOM 649 OE2 GLU A 44 -15.842 -2.687 12.021 1.00 0.00 O ATOM 0 H GLU A 44 -11.287 -3.669 11.695 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.785 -4.707 11.611 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.152 -3.013 9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.693 -3.604 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.434 -2.156 11.806 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.657 -1.300 10.294 1.00 0.00 H new ATOM 656 N PHE A 45 -11.907 -6.118 9.291 1.00 0.00 N ATOM 657 CA PHE A 45 -11.820 -7.257 8.385 1.00 0.00 C ATOM 658 C PHE A 45 -10.502 -8.002 8.572 1.00 0.00 C ATOM 659 O PHE A 45 -9.479 -7.664 7.976 1.00 0.00 O ATOM 660 CB PHE A 45 -11.954 -6.791 6.933 1.00 0.00 C ATOM 661 CG PHE A 45 -12.992 -5.722 6.740 1.00 0.00 C ATOM 662 CD1 PHE A 45 -12.682 -4.390 6.960 1.00 0.00 C ATOM 663 CD2 PHE A 45 -14.277 -6.050 6.338 1.00 0.00 C ATOM 664 CE1 PHE A 45 -13.634 -3.404 6.783 1.00 0.00 C ATOM 665 CE2 PHE A 45 -15.232 -5.068 6.158 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.911 -3.744 6.382 1.00 0.00 C ATOM 0 H PHE A 45 -11.060 -5.551 9.339 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.638 -7.939 8.618 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.990 -6.416 6.590 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -12.205 -7.647 6.307 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.685 -4.119 7.274 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -14.535 -7.084 6.164 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.380 -2.369 6.958 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -16.229 -5.336 5.842 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.657 -2.976 6.244 1.00 0.00 H new ATOM 676 N PRO A 46 -10.525 -9.039 9.422 1.00 0.00 N ATOM 677 CA PRO A 46 -9.341 -9.854 9.708 1.00 0.00 C ATOM 678 C PRO A 46 -8.925 -10.712 8.518 1.00 0.00 C ATOM 679 O PRO A 46 -7.754 -10.739 8.139 1.00 0.00 O ATOM 680 CB PRO A 46 -9.792 -10.739 10.873 1.00 0.00 C ATOM 681 CG PRO A 46 -11.273 -10.820 10.735 1.00 0.00 C ATOM 682 CD PRO A 46 -11.709 -9.498 10.167 1.00 0.00 C ATOM 0 HA PRO A 46 -8.469 -9.240 9.933 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.335 -11.727 10.820 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.507 -10.307 11.832 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.559 -11.641 10.077 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.745 -11.005 11.700 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.576 -9.607 9.516 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.987 -8.795 10.953 1.00 0.00 H new ATOM 690 N ASP A 47 -9.891 -11.410 7.932 1.00 0.00 N ATOM 691 CA ASP A 47 -9.625 -12.267 6.782 1.00 0.00 C ATOM 692 C ASP A 47 -9.205 -11.439 5.572 1.00 0.00 C ATOM 693 O ASP A 47 -9.995 -10.665 5.033 1.00 0.00 O ATOM 694 CB ASP A 47 -10.863 -13.099 6.442 1.00 0.00 C ATOM 695 CG ASP A 47 -11.560 -13.632 7.679 1.00 0.00 C ATOM 696 OD1 ASP A 47 -10.858 -14.103 8.598 1.00 0.00 O ATOM 697 OD2 ASP A 47 -12.807 -13.580 7.726 1.00 0.00 O ATOM 0 H ASP A 47 -10.865 -11.400 8.234 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.806 -12.938 7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.561 -12.489 5.870 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.572 -13.934 5.804 1.00 0.00 H new ATOM 702 N TRP A 48 -7.956 -11.608 5.152 1.00 0.00 N ATOM 703 CA TRP A 48 -7.431 -10.875 4.005 1.00 0.00 C ATOM 704 C TRP A 48 -8.443 -10.849 2.865 1.00 0.00 C ATOM 705 O TRP A 48 -8.960 -9.792 2.504 1.00 0.00 O ATOM 706 CB TRP A 48 -6.122 -11.505 3.528 1.00 0.00 C ATOM 707 CG TRP A 48 -5.530 -10.814 2.336 1.00 0.00 C ATOM 708 CD1 TRP A 48 -5.196 -11.385 1.141 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.201 -9.425 2.226 1.00 0.00 C ATOM 710 NE1 TRP A 48 -4.679 -10.434 0.294 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.673 -9.223 0.936 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.304 -8.332 3.091 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.248 -7.974 0.493 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -4.882 -7.093 2.650 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.360 -6.921 1.361 1.00 0.00 C ATOM 0 H TRP A 48 -7.289 -12.245 5.588 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.239 -9.849 4.318 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.400 -11.488 4.345 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.300 -12.552 3.281 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.320 -12.430 0.898 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.353 -10.602 -0.658 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.706 -8.454 4.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.844 -7.840 -0.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.956 -6.242 3.310 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.040 -5.939 1.046 1.00 0.00 H new ATOM 726 N THR A 49 -8.722 -12.020 2.301 1.00 0.00 N ATOM 727 CA THR A 49 -9.671 -12.131 1.201 1.00 0.00 C ATOM 728 C THR A 49 -10.894 -11.252 1.439 1.00 0.00 C ATOM 729 O THR A 49 -11.575 -10.848 0.495 1.00 0.00 O ATOM 730 CB THR A 49 -10.131 -13.587 1.000 1.00 0.00 C ATOM 731 OG1 THR A 49 -9.075 -14.488 1.352 1.00 0.00 O ATOM 732 CG2 THR A 49 -10.551 -13.829 -0.442 1.00 0.00 C ATOM 0 H THR A 49 -8.304 -12.905 2.588 1.00 0.00 H new ATOM 0 HA THR A 49 -9.154 -11.794 0.303 1.00 0.00 H new ATOM 0 HB THR A 49 -10.990 -13.765 1.646 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.113 -14.677 2.313 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.872 -14.864 -0.559 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.375 -13.163 -0.698 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.708 -13.634 -1.104 1.00 0.00 H new ATOM 740 N THR A 50 -11.168 -10.958 2.706 1.00 0.00 N ATOM 741 CA THR A 50 -12.309 -10.127 3.068 1.00 0.00 C ATOM 742 C THR A 50 -11.903 -8.664 3.205 1.00 0.00 C ATOM 743 O THR A 50 -12.659 -7.763 2.842 1.00 0.00 O ATOM 744 CB THR A 50 -12.949 -10.596 4.388 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.372 -11.959 4.270 1.00 0.00 O ATOM 746 CG2 THR A 50 -14.139 -9.721 4.754 1.00 0.00 C ATOM 0 H THR A 50 -10.615 -11.283 3.499 1.00 0.00 H new ATOM 0 HA THR A 50 -13.038 -10.225 2.264 1.00 0.00 H new ATOM 0 HB THR A 50 -12.202 -10.514 5.177 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.776 -12.250 5.114 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.574 -10.072 5.690 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.809 -8.689 4.872 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.887 -9.775 3.963 1.00 0.00 H new ATOM 754 N ARG A 51 -10.704 -8.435 3.730 1.00 0.00 N ATOM 755 CA ARG A 51 -10.197 -7.080 3.915 1.00 0.00 C ATOM 756 C ARG A 51 -9.856 -6.439 2.573 1.00 0.00 C ATOM 757 O ARG A 51 -10.305 -5.334 2.268 1.00 0.00 O ATOM 758 CB ARG A 51 -8.960 -7.094 4.814 1.00 0.00 C ATOM 759 CG ARG A 51 -8.303 -5.732 4.968 1.00 0.00 C ATOM 760 CD ARG A 51 -7.311 -5.719 6.120 1.00 0.00 C ATOM 761 NE ARG A 51 -5.981 -6.155 5.703 1.00 0.00 N ATOM 762 CZ ARG A 51 -4.870 -5.870 6.373 1.00 0.00 C ATOM 763 NH1 ARG A 51 -4.929 -5.152 7.487 1.00 0.00 N ATOM 764 NH2 ARG A 51 -3.697 -6.303 5.930 1.00 0.00 N ATOM 0 H ARG A 51 -10.065 -9.170 4.035 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.978 -6.489 4.393 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.242 -7.465 5.799 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.232 -7.795 4.405 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.791 -5.467 4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.068 -4.975 5.137 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.249 -4.712 6.534 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.672 -6.369 6.917 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.901 -6.709 4.850 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.829 -4.817 7.831 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.074 -4.935 8.000 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.647 -6.855 5.074 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.845 -6.083 6.445 1.00 0.00 H new ATOM 778 N VAL A 52 -9.058 -7.140 1.774 1.00 0.00 N ATOM 779 CA VAL A 52 -8.657 -6.640 0.464 1.00 0.00 C ATOM 780 C VAL A 52 -9.842 -6.037 -0.280 1.00 0.00 C ATOM 781 O VAL A 52 -9.746 -4.945 -0.842 1.00 0.00 O ATOM 782 CB VAL A 52 -8.038 -7.757 -0.398 1.00 0.00 C ATOM 783 CG1 VAL A 52 -9.068 -8.837 -0.692 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.473 -7.183 -1.688 1.00 0.00 C ATOM 0 H VAL A 52 -8.676 -8.056 2.011 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.908 -5.867 0.636 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.219 -8.211 0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.613 -9.617 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.421 -9.268 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.909 -8.400 -1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.040 -7.986 -2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.272 -6.702 -2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.702 -6.449 -1.453 1.00 0.00 H new ATOM 794 N LYS A 53 -10.961 -6.753 -0.281 1.00 0.00 N ATOM 795 CA LYS A 53 -12.167 -6.289 -0.954 1.00 0.00 C ATOM 796 C LYS A 53 -12.539 -4.882 -0.497 1.00 0.00 C ATOM 797 O LYS A 53 -13.057 -4.083 -1.276 1.00 0.00 O ATOM 798 CB LYS A 53 -13.329 -7.247 -0.683 1.00 0.00 C ATOM 799 CG LYS A 53 -13.146 -8.618 -1.313 1.00 0.00 C ATOM 800 CD LYS A 53 -14.096 -9.639 -0.711 1.00 0.00 C ATOM 801 CE LYS A 53 -14.102 -10.934 -1.510 1.00 0.00 C ATOM 802 NZ LYS A 53 -14.894 -10.808 -2.765 1.00 0.00 N ATOM 0 H LYS A 53 -11.057 -7.659 0.178 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.967 -6.264 -2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.449 -7.364 0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.250 -6.803 -1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.315 -8.551 -2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.117 -8.950 -1.173 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.804 -9.847 0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.104 -9.225 -0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.077 -11.215 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.516 -11.736 -0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.930 -11.729 -3.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.860 -10.499 -2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.445 -10.108 -3.390 1.00 0.00 H new ATOM 816 N GLN A 54 -12.269 -4.586 0.771 1.00 0.00 N ATOM 817 CA GLN A 54 -12.574 -3.275 1.331 1.00 0.00 C ATOM 818 C GLN A 54 -11.669 -2.203 0.731 1.00 0.00 C ATOM 819 O GLN A 54 -12.141 -1.280 0.067 1.00 0.00 O ATOM 820 CB GLN A 54 -12.419 -3.298 2.852 1.00 0.00 C ATOM 821 CG GLN A 54 -13.358 -4.272 3.545 1.00 0.00 C ATOM 822 CD GLN A 54 -14.818 -3.980 3.257 1.00 0.00 C ATOM 823 OE1 GLN A 54 -15.560 -4.852 2.804 1.00 0.00 O ATOM 824 NE2 GLN A 54 -15.238 -2.748 3.521 1.00 0.00 N ATOM 0 H GLN A 54 -11.840 -5.236 1.429 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.607 -3.033 1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.390 -3.559 3.100 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.596 -2.296 3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.124 -5.287 3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.189 -4.231 4.621 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -14.588 -2.057 3.896 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.210 -2.493 3.349 1.00 0.00 H new ATOM 833 N ILE A 55 -10.369 -2.332 0.972 1.00 0.00 N ATOM 834 CA ILE A 55 -9.399 -1.374 0.455 1.00 0.00 C ATOM 835 C ILE A 55 -9.795 -0.885 -0.934 1.00 0.00 C ATOM 836 O ILE A 55 -9.536 0.262 -1.296 1.00 0.00 O ATOM 837 CB ILE A 55 -7.986 -1.985 0.388 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.521 -2.403 1.784 1.00 0.00 C ATOM 839 CG2 ILE A 55 -7.010 -0.994 -0.227 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.346 -3.357 1.769 1.00 0.00 C ATOM 0 H ILE A 55 -9.963 -3.090 1.521 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.390 -0.531 1.145 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.019 -2.873 -0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.248 -1.512 2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.353 -2.872 2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.016 -1.440 -0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.336 -0.741 -1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.978 -0.090 0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.070 -3.611 2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.621 -4.265 1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.499 -2.884 1.272 1.00 0.00 H new ATOM 852 N ALA A 56 -10.428 -1.762 -1.706 1.00 0.00 N ATOM 853 CA ALA A 56 -10.864 -1.418 -3.054 1.00 0.00 C ATOM 854 C ALA A 56 -12.058 -0.470 -3.019 1.00 0.00 C ATOM 855 O ALA A 56 -12.063 0.564 -3.688 1.00 0.00 O ATOM 856 CB ALA A 56 -11.211 -2.678 -3.834 1.00 0.00 C ATOM 0 H ALA A 56 -10.650 -2.716 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.042 -0.908 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.535 -2.406 -4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.333 -3.320 -3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.014 -3.211 -3.325 1.00 0.00 H new ATOM 862 N LYS A 57 -13.069 -0.828 -2.235 1.00 0.00 N ATOM 863 CA LYS A 57 -14.269 -0.009 -2.111 1.00 0.00 C ATOM 864 C LYS A 57 -13.953 1.322 -1.435 1.00 0.00 C ATOM 865 O LYS A 57 -14.493 2.364 -1.810 1.00 0.00 O ATOM 866 CB LYS A 57 -15.342 -0.755 -1.315 1.00 0.00 C ATOM 867 CG LYS A 57 -15.260 -0.521 0.184 1.00 0.00 C ATOM 868 CD LYS A 57 -16.000 0.742 0.592 1.00 0.00 C ATOM 869 CE LYS A 57 -16.381 0.714 2.064 1.00 0.00 C ATOM 870 NZ LYS A 57 -17.235 1.875 2.438 1.00 0.00 N ATOM 0 H LYS A 57 -13.081 -1.681 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.645 0.193 -3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.326 -0.446 -1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.253 -1.823 -1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.682 -1.377 0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.215 -0.445 0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.374 1.612 0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.898 0.851 -0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.911 -0.213 2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.477 0.717 2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.639 1.718 3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.659 2.741 2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.004 1.978 1.746 1.00 0.00 H new ATOM 884 N LEU A 58 -13.075 1.280 -0.440 1.00 0.00 N ATOM 885 CA LEU A 58 -12.686 2.483 0.288 1.00 0.00 C ATOM 886 C LEU A 58 -11.779 3.365 -0.564 1.00 0.00 C ATOM 887 O LEU A 58 -11.822 4.592 -0.469 1.00 0.00 O ATOM 888 CB LEU A 58 -11.975 2.108 1.589 1.00 0.00 C ATOM 889 CG LEU A 58 -12.815 1.352 2.620 1.00 0.00 C ATOM 890 CD1 LEU A 58 -11.919 0.658 3.633 1.00 0.00 C ATOM 891 CD2 LEU A 58 -13.780 2.298 3.318 1.00 0.00 C ATOM 0 H LEU A 58 -12.619 0.426 -0.118 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.590 3.044 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.105 1.499 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.603 3.022 2.053 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.396 0.591 2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.534 0.126 4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.269 -0.050 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.310 1.400 4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.369 1.743 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.218 3.082 3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.445 2.748 2.581 1.00 0.00 H new ATOM 903 N TRP A 59 -10.961 2.732 -1.397 1.00 0.00 N ATOM 904 CA TRP A 59 -10.045 3.460 -2.268 1.00 0.00 C ATOM 905 C TRP A 59 -10.808 4.213 -3.353 1.00 0.00 C ATOM 906 O TRP A 59 -10.610 5.413 -3.544 1.00 0.00 O ATOM 907 CB TRP A 59 -9.043 2.497 -2.907 1.00 0.00 C ATOM 908 CG TRP A 59 -8.139 3.157 -3.905 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.109 2.939 -5.253 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.133 4.139 -3.632 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.145 3.727 -5.835 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.533 4.473 -4.862 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.683 4.770 -2.470 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.507 5.408 -4.959 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.664 5.698 -2.568 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.086 6.011 -3.805 1.00 0.00 C ATOM 0 H TRP A 59 -10.913 1.717 -1.488 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.504 4.186 -1.660 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.437 2.042 -2.124 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.587 1.690 -3.398 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.749 2.249 -5.783 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.921 3.752 -6.830 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.124 4.537 -1.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.059 5.649 -5.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.307 6.190 -1.676 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.293 6.742 -3.849 1.00 0.00 H new ATOM 927 N ARG A 60 -11.679 3.501 -4.060 1.00 0.00 N ATOM 928 CA ARG A 60 -12.471 4.104 -5.126 1.00 0.00 C ATOM 929 C ARG A 60 -13.300 5.270 -4.595 1.00 0.00 C ATOM 930 O ARG A 60 -13.285 6.364 -5.159 1.00 0.00 O ATOM 931 CB ARG A 60 -13.390 3.058 -5.760 1.00 0.00 C ATOM 932 CG ARG A 60 -12.647 1.863 -6.336 1.00 0.00 C ATOM 933 CD ARG A 60 -13.583 0.690 -6.579 1.00 0.00 C ATOM 934 NE ARG A 60 -12.854 -0.560 -6.776 1.00 0.00 N ATOM 935 CZ ARG A 60 -13.445 -1.725 -7.020 1.00 0.00 C ATOM 936 NH1 ARG A 60 -14.766 -1.798 -7.098 1.00 0.00 N ATOM 937 NH2 ARG A 60 -12.713 -2.819 -7.188 1.00 0.00 N ATOM 0 H ARG A 60 -11.854 2.507 -3.914 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.786 4.484 -5.884 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -14.099 2.707 -5.010 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.971 3.530 -6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.168 2.148 -7.273 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.854 1.562 -5.651 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.260 0.585 -5.731 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.198 0.893 -7.455 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.836 -0.538 -6.723 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.332 -0.959 -6.971 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.217 -2.693 -7.285 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.696 -2.766 -7.130 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.167 -3.713 -7.375 1.00 0.00 H new ATOM 951 N LYS A 61 -14.023 5.028 -3.507 1.00 0.00 N ATOM 952 CA LYS A 61 -14.858 6.057 -2.899 1.00 0.00 C ATOM 953 C LYS A 61 -14.143 7.404 -2.891 1.00 0.00 C ATOM 954 O LYS A 61 -14.734 8.432 -3.220 1.00 0.00 O ATOM 955 CB LYS A 61 -15.234 5.659 -1.470 1.00 0.00 C ATOM 956 CG LYS A 61 -16.475 4.787 -1.387 1.00 0.00 C ATOM 957 CD LYS A 61 -16.641 4.183 -0.003 1.00 0.00 C ATOM 958 CE LYS A 61 -17.371 5.131 0.935 1.00 0.00 C ATOM 959 NZ LYS A 61 -18.804 5.287 0.562 1.00 0.00 N ATOM 0 H LYS A 61 -14.048 4.128 -3.028 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.766 6.151 -3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -14.396 5.128 -1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -15.395 6.562 -0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -17.355 5.381 -1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.411 3.990 -2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.193 3.246 -0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.661 3.943 0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.300 4.757 1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.883 6.106 0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.341 5.630 1.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -18.888 5.972 -0.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -19.185 4.369 0.257 1.00 0.00 H new ATOM 973 N ALA A 62 -12.868 7.390 -2.516 1.00 0.00 N ATOM 974 CA ALA A 62 -12.072 8.610 -2.469 1.00 0.00 C ATOM 975 C ALA A 62 -11.903 9.208 -3.862 1.00 0.00 C ATOM 976 O ALA A 62 -11.407 8.548 -4.775 1.00 0.00 O ATOM 977 CB ALA A 62 -10.714 8.330 -1.844 1.00 0.00 C ATOM 0 H ALA A 62 -12.364 6.547 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.600 9.337 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.130 9.250 -1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.851 7.955 -0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.187 7.584 -2.439 1.00 0.00 H new ATOM 983 N SER A 63 -12.317 10.461 -4.017 1.00 0.00 N ATOM 984 CA SER A 63 -12.215 11.147 -5.300 1.00 0.00 C ATOM 985 C SER A 63 -10.762 11.229 -5.758 1.00 0.00 C ATOM 986 O SER A 63 -9.838 11.106 -4.953 1.00 0.00 O ATOM 987 CB SER A 63 -12.810 12.553 -5.199 1.00 0.00 C ATOM 988 OG SER A 63 -14.224 12.504 -5.119 1.00 0.00 O ATOM 0 H SER A 63 -12.726 11.022 -3.270 1.00 0.00 H new ATOM 0 HA SER A 63 -12.778 10.574 -6.037 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.410 13.058 -4.320 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.512 13.141 -6.067 1.00 0.00 H new ATOM 0 HG SER A 63 -14.580 13.415 -5.054 1.00 0.00 H new ATOM 994 N SER A 64 -10.568 11.438 -7.056 1.00 0.00 N ATOM 995 CA SER A 64 -9.228 11.532 -7.623 1.00 0.00 C ATOM 996 C SER A 64 -8.384 12.546 -6.857 1.00 0.00 C ATOM 997 O SER A 64 -7.249 12.262 -6.475 1.00 0.00 O ATOM 998 CB SER A 64 -9.303 11.926 -9.100 1.00 0.00 C ATOM 999 OG SER A 64 -10.279 11.159 -9.783 1.00 0.00 O ATOM 0 H SER A 64 -11.322 11.545 -7.735 1.00 0.00 H new ATOM 0 HA SER A 64 -8.755 10.554 -7.539 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.544 12.986 -9.185 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.329 11.782 -9.568 1.00 0.00 H new ATOM 0 HG SER A 64 -10.309 11.431 -10.724 1.00 0.00 H new ATOM 1005 N GLN A 65 -8.948 13.729 -6.636 1.00 0.00 N ATOM 1006 CA GLN A 65 -8.248 14.786 -5.916 1.00 0.00 C ATOM 1007 C GLN A 65 -7.800 14.304 -4.540 1.00 0.00 C ATOM 1008 O GLN A 65 -6.925 14.903 -3.916 1.00 0.00 O ATOM 1009 CB GLN A 65 -9.146 16.016 -5.771 1.00 0.00 C ATOM 1010 CG GLN A 65 -9.795 16.452 -7.074 1.00 0.00 C ATOM 1011 CD GLN A 65 -8.821 16.461 -8.236 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -9.111 15.929 -9.308 1.00 0.00 O ATOM 1013 NE2 GLN A 65 -7.659 17.068 -8.030 1.00 0.00 N ATOM 0 H GLN A 65 -9.887 13.979 -6.945 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.363 15.057 -6.492 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.926 15.802 -5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.556 16.842 -5.375 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.624 15.783 -7.305 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.216 17.450 -6.950 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.460 17.496 -7.126 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.965 17.107 -8.776 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.407 13.217 -4.073 1.00 0.00 N ATOM 1023 CA GLU A 66 -8.071 12.655 -2.770 1.00 0.00 C ATOM 1024 C GLU A 66 -6.877 11.711 -2.877 1.00 0.00 C ATOM 1025 O GLU A 66 -6.008 11.692 -2.005 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.273 11.911 -2.186 1.00 0.00 C ATOM 1027 CG GLU A 66 -9.084 11.491 -0.737 1.00 0.00 C ATOM 1028 CD GLU A 66 -8.511 12.602 0.122 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -7.313 12.917 -0.038 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -9.260 13.156 0.953 1.00 0.00 O ATOM 0 H GLU A 66 -9.133 12.709 -4.577 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.804 13.477 -2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.154 12.548 -2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.470 11.025 -2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.043 11.177 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.421 10.627 -0.697 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.842 10.929 -3.950 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.757 9.981 -4.170 1.00 0.00 C ATOM 1039 C ARG A 67 -4.514 10.690 -4.700 1.00 0.00 C ATOM 1040 O ARG A 67 -3.402 10.172 -4.603 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.193 8.892 -5.152 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.609 8.392 -4.918 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.239 7.881 -6.204 1.00 0.00 C ATOM 1044 NE ARG A 67 -7.342 6.992 -6.938 1.00 0.00 N ATOM 1045 CZ ARG A 67 -7.579 6.564 -8.172 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -8.680 6.940 -8.808 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -6.714 5.757 -8.774 1.00 0.00 N ATOM 0 H ARG A 67 -7.553 10.933 -4.681 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.512 9.521 -3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.117 9.279 -6.168 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.503 8.051 -5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.596 7.594 -4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.218 9.198 -4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.162 7.351 -5.970 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.509 8.727 -6.837 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.486 6.683 -6.477 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.348 7.560 -8.349 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.859 6.609 -9.756 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.866 5.465 -8.288 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.897 5.429 -9.722 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.712 11.879 -5.261 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.607 12.660 -5.804 1.00 0.00 C ATOM 1063 C ALA A 68 -2.329 12.433 -5.005 1.00 0.00 C ATOM 1064 O ALA A 68 -1.306 11.999 -5.536 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.965 14.139 -5.821 1.00 0.00 C ATOM 0 H ALA A 68 -5.626 12.322 -5.351 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.428 12.328 -6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.131 14.711 -6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.848 14.293 -6.441 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.173 14.475 -4.805 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.385 12.732 -3.699 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.239 12.569 -2.799 1.00 0.00 C ATOM 1073 C PRO A 69 -0.903 11.102 -2.549 1.00 0.00 C ATOM 1074 O PRO A 69 0.244 10.683 -2.700 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.706 13.239 -1.505 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.192 13.152 -1.548 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.571 13.253 -3.000 1.00 0.00 C ATOM 0 HA PRO A 69 -0.329 13.002 -3.214 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.305 12.730 -0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.372 14.275 -1.453 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.541 12.213 -1.118 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.647 13.956 -0.969 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.461 12.665 -3.225 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.788 14.282 -3.288 1.00 0.00 H new ATOM 1085 N TYR A 70 -1.911 10.327 -2.166 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.722 8.907 -1.892 1.00 0.00 C ATOM 1087 C TYR A 70 -1.213 8.177 -3.131 1.00 0.00 C ATOM 1088 O TYR A 70 -0.740 7.044 -3.048 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.034 8.278 -1.419 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.622 8.950 -0.199 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -2.999 8.852 1.040 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -4.800 9.681 -0.283 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -3.533 9.464 2.158 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.340 10.297 0.829 1.00 0.00 C ATOM 1095 CZ TYR A 70 -4.703 10.185 2.047 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.239 10.796 3.158 1.00 0.00 O ATOM 0 H TYR A 70 -2.867 10.658 -2.038 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.976 8.811 -1.103 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.760 8.318 -2.231 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.863 7.225 -1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.082 8.288 1.130 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.303 9.769 -1.235 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.037 9.378 3.113 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.256 10.863 0.745 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.063 11.264 2.908 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.313 8.836 -4.281 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.862 8.252 -5.539 1.00 0.00 C ATOM 1108 C VAL A 71 0.622 8.516 -5.765 1.00 0.00 C ATOM 1109 O VAL A 71 1.343 7.661 -6.280 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.659 8.807 -6.734 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -1.129 8.238 -8.041 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -3.141 8.503 -6.572 1.00 0.00 C ATOM 0 H VAL A 71 -1.702 9.775 -4.368 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.031 7.178 -5.468 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.534 9.889 -6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.705 8.642 -8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.080 8.512 -8.158 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.221 7.152 -8.029 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.690 8.902 -7.425 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.287 7.424 -6.519 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.509 8.965 -5.656 1.00 0.00 H new ATOM 1122 N GLN A 72 1.072 9.705 -5.378 1.00 0.00 N ATOM 1123 CA GLN A 72 2.472 10.081 -5.539 1.00 0.00 C ATOM 1124 C GLN A 72 3.313 9.559 -4.379 1.00 0.00 C ATOM 1125 O GLN A 72 4.412 9.042 -4.579 1.00 0.00 O ATOM 1126 CB GLN A 72 2.605 11.602 -5.637 1.00 0.00 C ATOM 1127 CG GLN A 72 4.017 12.106 -5.390 1.00 0.00 C ATOM 1128 CD GLN A 72 4.962 11.778 -6.529 1.00 0.00 C ATOM 1129 OE1 GLN A 72 5.465 12.671 -7.211 1.00 0.00 O ATOM 1130 NE2 GLN A 72 5.209 10.490 -6.742 1.00 0.00 N ATOM 0 H GLN A 72 0.488 10.424 -4.951 1.00 0.00 H new ATOM 0 HA GLN A 72 2.839 9.631 -6.461 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.281 11.924 -6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.932 12.065 -4.915 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.993 13.186 -5.243 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.399 11.667 -4.468 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.771 9.782 -6.153 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.837 10.209 -7.495 1.00 0.00 H new ATOM 1139 N LYS A 73 2.790 9.699 -3.166 1.00 0.00 N ATOM 1140 CA LYS A 73 3.492 9.241 -1.972 1.00 0.00 C ATOM 1141 C LYS A 73 3.916 7.782 -2.116 1.00 0.00 C ATOM 1142 O LYS A 73 5.067 7.433 -1.859 1.00 0.00 O ATOM 1143 CB LYS A 73 2.602 9.405 -0.738 1.00 0.00 C ATOM 1144 CG LYS A 73 3.353 9.268 0.575 1.00 0.00 C ATOM 1145 CD LYS A 73 2.567 9.863 1.731 1.00 0.00 C ATOM 1146 CE LYS A 73 3.074 9.353 3.071 1.00 0.00 C ATOM 1147 NZ LYS A 73 4.415 9.908 3.405 1.00 0.00 N ATOM 0 H LYS A 73 1.882 10.126 -2.983 1.00 0.00 H new ATOM 0 HA LYS A 73 4.387 9.851 -1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.123 10.384 -0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.807 8.660 -0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.552 8.215 0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.319 9.766 0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.642 10.950 1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.512 9.614 1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.365 9.622 3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.127 8.265 3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.725 9.536 4.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.098 9.630 2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.360 10.945 3.452 1.00 0.00 H new ATOM 1161 N ALA A 74 2.978 6.937 -2.531 1.00 0.00 N ATOM 1162 CA ALA A 74 3.256 5.517 -2.713 1.00 0.00 C ATOM 1163 C ALA A 74 4.553 5.307 -3.488 1.00 0.00 C ATOM 1164 O ALA A 74 5.439 4.574 -3.047 1.00 0.00 O ATOM 1165 CB ALA A 74 2.096 4.839 -3.427 1.00 0.00 C ATOM 0 H ALA A 74 2.020 7.211 -2.747 1.00 0.00 H new ATOM 0 HA ALA A 74 3.375 5.066 -1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.317 3.780 -3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.188 4.950 -2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.950 5.301 -4.404 1.00 0.00 H new ATOM 1171 N ARG A 75 4.656 5.952 -4.645 1.00 0.00 N ATOM 1172 CA ARG A 75 5.844 5.833 -5.482 1.00 0.00 C ATOM 1173 C ARG A 75 7.093 6.261 -4.717 1.00 0.00 C ATOM 1174 O ARG A 75 8.108 5.564 -4.728 1.00 0.00 O ATOM 1175 CB ARG A 75 5.691 6.683 -6.745 1.00 0.00 C ATOM 1176 CG ARG A 75 4.436 6.367 -7.543 1.00 0.00 C ATOM 1177 CD ARG A 75 3.935 7.588 -8.299 1.00 0.00 C ATOM 1178 NE ARG A 75 4.786 7.911 -9.441 1.00 0.00 N ATOM 1179 CZ ARG A 75 4.857 7.166 -10.538 1.00 0.00 C ATOM 1180 NH1 ARG A 75 4.132 6.061 -10.642 1.00 0.00 N ATOM 1181 NH2 ARG A 75 5.655 7.527 -11.535 1.00 0.00 N ATOM 0 H ARG A 75 3.932 6.562 -5.024 1.00 0.00 H new ATOM 0 HA ARG A 75 5.954 4.787 -5.767 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.678 7.736 -6.465 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.563 6.534 -7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.644 5.562 -8.247 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.656 6.009 -6.871 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.917 7.408 -8.645 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.896 8.442 -7.623 1.00 0.00 H new ATOM 0 HE ARG A 75 5.357 8.755 -9.393 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.517 5.781 -9.878 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.189 5.491 -11.486 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.214 8.377 -11.459 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.709 6.955 -12.378 1.00 0.00 H new ATOM 1195 N ASP A 76 7.011 7.410 -4.056 1.00 0.00 N ATOM 1196 CA ASP A 76 8.135 7.931 -3.286 1.00 0.00 C ATOM 1197 C ASP A 76 8.580 6.926 -2.227 1.00 0.00 C ATOM 1198 O ASP A 76 9.774 6.742 -1.995 1.00 0.00 O ATOM 1199 CB ASP A 76 7.755 9.255 -2.622 1.00 0.00 C ATOM 1200 CG ASP A 76 8.960 10.139 -2.362 1.00 0.00 C ATOM 1201 OD1 ASP A 76 9.586 9.989 -1.291 1.00 0.00 O ATOM 1202 OD2 ASP A 76 9.277 10.979 -3.229 1.00 0.00 O ATOM 0 H ASP A 76 6.178 7.999 -4.038 1.00 0.00 H new ATOM 0 HA ASP A 76 8.965 8.102 -3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.048 9.787 -3.258 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.246 9.053 -1.679 1.00 0.00 H new ATOM 1207 N ASN A 77 7.610 6.280 -1.588 1.00 0.00 N ATOM 1208 CA ASN A 77 7.902 5.295 -0.552 1.00 0.00 C ATOM 1209 C ASN A 77 8.833 4.209 -1.082 1.00 0.00 C ATOM 1210 O ASN A 77 9.685 3.698 -0.354 1.00 0.00 O ATOM 1211 CB ASN A 77 6.606 4.666 -0.038 1.00 0.00 C ATOM 1212 CG ASN A 77 6.024 5.422 1.140 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.751 6.052 1.909 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.705 5.363 1.288 1.00 0.00 N ATOM 0 H ASN A 77 6.616 6.420 -1.769 1.00 0.00 H new ATOM 0 HA ASN A 77 8.401 5.806 0.271 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.874 4.637 -0.845 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.798 3.634 0.255 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.256 5.852 2.063 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.141 4.829 0.627 1.00 0.00 H new ATOM 1221 N ARG A 78 8.665 3.861 -2.353 1.00 0.00 N ATOM 1222 CA ARG A 78 9.489 2.835 -2.981 1.00 0.00 C ATOM 1223 C ARG A 78 10.957 3.252 -2.997 1.00 0.00 C ATOM 1224 O ARG A 78 11.849 2.429 -2.792 1.00 0.00 O ATOM 1225 CB ARG A 78 9.008 2.566 -4.408 1.00 0.00 C ATOM 1226 CG ARG A 78 7.625 1.940 -4.476 1.00 0.00 C ATOM 1227 CD ARG A 78 7.313 1.428 -5.874 1.00 0.00 C ATOM 1228 NE ARG A 78 7.198 2.515 -6.842 1.00 0.00 N ATOM 1229 CZ ARG A 78 7.124 2.326 -8.155 1.00 0.00 C ATOM 1230 NH1 ARG A 78 7.153 1.097 -8.653 1.00 0.00 N ATOM 1231 NH2 ARG A 78 7.020 3.366 -8.972 1.00 0.00 N ATOM 0 H ARG A 78 7.965 4.275 -2.969 1.00 0.00 H new ATOM 0 HA ARG A 78 9.395 1.920 -2.396 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.001 3.504 -4.963 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.721 1.907 -4.905 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.561 1.118 -3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.877 2.676 -4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.097 0.741 -6.192 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.382 0.861 -5.853 1.00 0.00 H new ATOM 0 HE ARG A 78 7.173 3.472 -6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.232 0.295 -8.028 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.096 0.954 -9.661 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.997 4.312 -8.592 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.963 3.219 -9.980 1.00 0.00 H new ATOM 1245 N ALA A 79 11.199 4.536 -3.244 1.00 0.00 N ATOM 1246 CA ALA A 79 12.558 5.062 -3.286 1.00 0.00 C ATOM 1247 C ALA A 79 13.254 4.892 -1.940 1.00 0.00 C ATOM 1248 O ALA A 79 14.378 4.396 -1.871 1.00 0.00 O ATOM 1249 CB ALA A 79 12.543 6.528 -3.693 1.00 0.00 C ATOM 0 H ALA A 79 10.472 5.230 -3.418 1.00 0.00 H new ATOM 0 HA ALA A 79 13.118 4.495 -4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.564 6.908 -3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.092 6.627 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.962 7.100 -2.970 1.00 0.00 H new ATOM 1255 N ALA A 80 12.580 5.307 -0.873 1.00 0.00 N ATOM 1256 CA ALA A 80 13.134 5.200 0.471 1.00 0.00 C ATOM 1257 C ALA A 80 13.811 3.849 0.679 1.00 0.00 C ATOM 1258 O ALA A 80 14.916 3.774 1.217 1.00 0.00 O ATOM 1259 CB ALA A 80 12.043 5.411 1.510 1.00 0.00 C ATOM 0 H ALA A 80 11.649 5.721 -0.913 1.00 0.00 H new ATOM 0 HA ALA A 80 13.888 5.978 0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.471 5.328 2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.606 6.402 1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.269 4.654 1.383 1.00 0.00 H new