USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 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 75 THR OG1 : rot -125:sc= 0.353 USER MOD Set 1.2: A 76 HIS : +bothHN:sc= -1.9! C(o=-1.5!,f=-7.1!) USER MOD Set 2.1: A 40 HIS : no HE2:sc= -5.27 K(o=-8.7,f=-11!) USER MOD Set 2.2: A 60 MET CE :methyl -155:sc= -3.42! (180deg=-5.4!) USER MOD Single : A 21 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.6!) USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 23 THR OG1 : rot 43:sc= 0.344 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -63:sc= 0.521 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.181! C(o=-0.18!,f=-11!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 160:sc= -0.549 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -89:sc= -0.386 USER MOD Single : A 64 ASN : amide:sc=-0.00495 X(o=-0.005,f=-0.16) USER MOD Single : A 70 MET CE :methyl 138:sc= -2.83! (180deg=-4.27!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.9!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 59:sc= 0.742 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 180:sc= -0.0242 USER MOD Single : A 96 ASN :FLIP amide:sc= -1.55 F(o=-4.8!,f=-1.5) USER MOD Single : A 98 SER OG : rot -130:sc= -0.725 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0387 K(o=-0.039,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 263 N ASN A 21 -0.407 5.971 -6.197 1.00 0.00 N ATOM 264 CA ASN A 21 -0.855 7.252 -5.678 1.00 0.00 C ATOM 265 C ASN A 21 -0.657 7.281 -4.161 1.00 0.00 C ATOM 266 O ASN A 21 0.073 8.124 -3.643 1.00 0.00 O ATOM 267 CB ASN A 21 -2.341 7.473 -5.966 1.00 0.00 C ATOM 268 CG ASN A 21 -2.655 8.964 -6.112 1.00 0.00 C ATOM 269 OD1 ASN A 21 -1.776 9.809 -6.150 1.00 0.00 O ATOM 270 ND2 ASN A 21 -3.954 9.237 -6.193 1.00 0.00 N ATOM 0 HA ASN A 21 -0.273 8.035 -6.164 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.620 6.948 -6.879 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.939 7.049 -5.159 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.267 10.203 -6.294 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.637 8.481 -6.155 1.00 0.00 H new ATOM 277 N TYR A 22 -1.321 6.349 -3.493 1.00 0.00 N ATOM 278 CA TYR A 22 -1.227 6.257 -2.046 1.00 0.00 C ATOM 279 C TYR A 22 -1.608 4.857 -1.559 1.00 0.00 C ATOM 280 O TYR A 22 -2.669 4.342 -1.910 1.00 0.00 O ATOM 281 CB TYR A 22 -2.234 7.268 -1.493 1.00 0.00 C ATOM 282 CG TYR A 22 -3.689 6.950 -1.839 1.00 0.00 C ATOM 283 CD1 TYR A 22 -4.396 6.038 -1.081 1.00 0.00 C ATOM 284 CD2 TYR A 22 -4.296 7.574 -2.910 1.00 0.00 C ATOM 285 CE1 TYR A 22 -5.766 5.738 -1.408 1.00 0.00 C ATOM 286 CE2 TYR A 22 -5.666 7.275 -3.236 1.00 0.00 C ATOM 287 CZ TYR A 22 -6.334 6.372 -2.469 1.00 0.00 C ATOM 288 OH TYR A 22 -7.628 6.089 -2.777 1.00 0.00 O ATOM 0 H TYR A 22 -1.926 5.652 -3.927 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.208 6.457 -1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.131 7.312 -0.409 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.988 8.258 -1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.922 5.550 -0.243 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.743 8.287 -3.504 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.330 5.026 -0.824 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.153 7.757 -4.071 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.113 5.846 -1.961 1.00 0.00 H new ATOM 298 N THR A 23 -0.723 4.282 -0.760 1.00 0.00 N ATOM 299 CA THR A 23 -0.953 2.952 -0.222 1.00 0.00 C ATOM 300 C THR A 23 -1.764 3.033 1.073 1.00 0.00 C ATOM 301 O THR A 23 -1.743 4.053 1.760 1.00 0.00 O ATOM 302 CB THR A 23 0.405 2.271 -0.046 1.00 0.00 C ATOM 303 OG1 THR A 23 1.259 3.313 0.418 1.00 0.00 O ATOM 304 CG2 THR A 23 1.025 1.848 -1.379 1.00 0.00 C ATOM 0 H THR A 23 0.156 4.713 -0.472 1.00 0.00 H new ATOM 0 HA THR A 23 -1.550 2.348 -0.905 1.00 0.00 H new ATOM 0 HB THR A 23 0.292 1.397 0.596 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.787 3.849 1.089 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.988 1.370 -1.197 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.361 1.146 -1.883 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.169 2.726 -2.008 1.00 0.00 H new ATOM 312 N TRP A 24 -2.460 1.945 1.368 1.00 0.00 N ATOM 313 CA TRP A 24 -3.276 1.880 2.568 1.00 0.00 C ATOM 314 C TRP A 24 -3.612 0.411 2.833 1.00 0.00 C ATOM 315 O TRP A 24 -3.444 -0.435 1.957 1.00 0.00 O ATOM 316 CB TRP A 24 -4.518 2.763 2.434 1.00 0.00 C ATOM 317 CG TRP A 24 -5.678 2.097 1.691 1.00 0.00 C ATOM 318 CD1 TRP A 24 -5.917 2.091 0.372 1.00 0.00 C ATOM 319 CD2 TRP A 24 -6.753 1.336 2.280 1.00 0.00 C ATOM 320 NE1 TRP A 24 -7.063 1.384 0.070 1.00 0.00 N ATOM 321 CE2 TRP A 24 -7.588 0.910 1.267 1.00 0.00 C ATOM 322 CE3 TRP A 24 -7.012 1.017 3.625 1.00 0.00 C ATOM 323 CZ2 TRP A 24 -8.737 0.142 1.492 1.00 0.00 C ATOM 324 CZ3 TRP A 24 -8.163 0.249 3.833 1.00 0.00 C ATOM 325 CH2 TRP A 24 -9.014 -0.187 2.824 1.00 0.00 C ATOM 0 H TRP A 24 -2.475 1.101 0.796 1.00 0.00 H new ATOM 0 HA TRP A 24 -2.731 2.272 3.427 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.855 3.051 3.430 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.245 3.680 1.912 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -5.292 2.578 -0.362 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.453 1.236 -0.861 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -6.373 1.339 4.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.375 -0.179 0.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.407 -0.024 4.849 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.885 -0.777 3.067 1.00 0.00 H new ATOM 336 N SER A 25 -4.081 0.154 4.045 1.00 0.00 N ATOM 337 CA SER A 25 -4.442 -1.198 4.436 1.00 0.00 C ATOM 338 C SER A 25 -5.504 -1.158 5.537 1.00 0.00 C ATOM 339 O SER A 25 -5.846 -0.087 6.036 1.00 0.00 O ATOM 340 CB SER A 25 -3.216 -1.981 4.910 1.00 0.00 C ATOM 341 OG SER A 25 -2.469 -1.262 5.887 1.00 0.00 O ATOM 0 H SER A 25 -4.219 0.859 4.769 1.00 0.00 H new ATOM 0 HA SER A 25 -4.850 -1.708 3.564 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.535 -2.936 5.328 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.576 -2.204 4.056 1.00 0.00 H new ATOM 0 HG SER A 25 -1.696 -1.796 6.165 1.00 0.00 H new ATOM 347 N GLN A 26 -5.995 -2.339 5.884 1.00 0.00 N ATOM 348 CA GLN A 26 -7.011 -2.452 6.917 1.00 0.00 C ATOM 349 C GLN A 26 -6.449 -3.188 8.135 1.00 0.00 C ATOM 350 O GLN A 26 -5.853 -4.255 8.000 1.00 0.00 O ATOM 351 CB GLN A 26 -8.261 -3.153 6.382 1.00 0.00 C ATOM 352 CG GLN A 26 -7.932 -4.565 5.895 1.00 0.00 C ATOM 353 CD GLN A 26 -8.450 -4.789 4.473 1.00 0.00 C ATOM 354 OE1 GLN A 26 -7.845 -4.386 3.493 1.00 0.00 O ATOM 355 NE2 GLN A 26 -9.602 -5.453 4.414 1.00 0.00 N ATOM 0 H GLN A 26 -5.708 -3.225 5.468 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.302 -1.448 7.225 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.018 -3.202 7.165 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.686 -2.572 5.563 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.854 -4.721 5.922 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.377 -5.298 6.568 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.057 -5.763 5.273 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.030 -5.652 3.510 1.00 0.00 H new ATOM 364 N ASP A 27 -6.660 -2.589 9.298 1.00 0.00 N ATOM 365 CA ASP A 27 -6.182 -3.174 10.539 1.00 0.00 C ATOM 366 C ASP A 27 -7.379 -3.604 11.389 1.00 0.00 C ATOM 367 O ASP A 27 -8.528 -3.429 10.984 1.00 0.00 O ATOM 368 CB ASP A 27 -5.368 -2.162 11.347 1.00 0.00 C ATOM 369 CG ASP A 27 -3.935 -1.945 10.856 1.00 0.00 C ATOM 370 OD1 ASP A 27 -3.787 -1.649 9.651 1.00 0.00 O ATOM 371 OD2 ASP A 27 -3.020 -2.080 11.697 1.00 0.00 O ATOM 0 H ASP A 27 -7.156 -1.704 9.407 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.551 -4.027 10.289 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.890 -1.205 11.333 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.334 -2.492 12.385 1.00 0.00 H new ATOM 376 N TYR A 28 -7.070 -4.159 12.552 1.00 0.00 N ATOM 377 CA TYR A 28 -8.106 -4.615 13.462 1.00 0.00 C ATOM 378 C TYR A 28 -9.300 -3.659 13.457 1.00 0.00 C ATOM 379 O TYR A 28 -10.439 -4.083 13.263 1.00 0.00 O ATOM 380 CB TYR A 28 -7.473 -4.615 14.855 1.00 0.00 C ATOM 381 CG TYR A 28 -8.230 -5.459 15.883 1.00 0.00 C ATOM 382 CD1 TYR A 28 -8.025 -6.823 15.942 1.00 0.00 C ATOM 383 CD2 TYR A 28 -9.118 -4.857 16.751 1.00 0.00 C ATOM 384 CE1 TYR A 28 -8.737 -7.617 16.909 1.00 0.00 C ATOM 385 CE2 TYR A 28 -9.831 -5.651 17.718 1.00 0.00 C ATOM 386 CZ TYR A 28 -9.605 -6.992 17.749 1.00 0.00 C ATOM 387 OH TYR A 28 -10.278 -7.742 18.662 1.00 0.00 O ATOM 0 H TYR A 28 -6.117 -4.303 12.885 1.00 0.00 H new ATOM 0 HA TYR A 28 -8.469 -5.600 13.168 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.451 -4.985 14.778 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.414 -3.588 15.216 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.330 -7.294 15.263 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.278 -3.790 16.705 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -8.585 -8.685 16.966 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.529 -5.192 18.403 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.862 -7.163 19.195 1.00 0.00 H new ATOM 397 N THR A 29 -9.000 -2.387 13.673 1.00 0.00 N ATOM 398 CA THR A 29 -10.035 -1.367 13.696 1.00 0.00 C ATOM 399 C THR A 29 -9.430 0.012 13.429 1.00 0.00 C ATOM 400 O THR A 29 -9.389 0.860 14.319 1.00 0.00 O ATOM 401 CB THR A 29 -10.762 -1.462 15.039 1.00 0.00 C ATOM 402 OG1 THR A 29 -11.635 -0.335 15.042 1.00 0.00 O ATOM 403 CG2 THR A 29 -9.831 -1.214 16.228 1.00 0.00 C ATOM 0 H THR A 29 -8.055 -2.039 13.834 1.00 0.00 H new ATOM 0 HA THR A 29 -10.765 -1.526 12.903 1.00 0.00 H new ATOM 0 HB THR A 29 -11.219 -2.447 15.135 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.105 0.489 15.011 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.397 -1.293 17.156 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.032 -1.956 16.226 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.399 -0.216 16.150 1.00 0.00 H new ATOM 411 N ASP A 30 -8.976 0.195 12.197 1.00 0.00 N ATOM 412 CA ASP A 30 -8.376 1.458 11.801 1.00 0.00 C ATOM 413 C ASP A 30 -7.788 1.319 10.395 1.00 0.00 C ATOM 414 O ASP A 30 -7.511 0.210 9.941 1.00 0.00 O ATOM 415 CB ASP A 30 -7.242 1.850 12.750 1.00 0.00 C ATOM 416 CG ASP A 30 -7.636 2.829 13.858 1.00 0.00 C ATOM 417 OD1 ASP A 30 -8.814 3.246 13.854 1.00 0.00 O ATOM 418 OD2 ASP A 30 -6.749 3.139 14.683 1.00 0.00 O ATOM 0 H ASP A 30 -9.012 -0.510 11.461 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.151 2.224 11.829 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.844 0.945 13.210 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.435 2.292 12.165 1.00 0.00 H new ATOM 423 N LEU A 31 -7.616 2.460 9.745 1.00 0.00 N ATOM 424 CA LEU A 31 -7.066 2.480 8.400 1.00 0.00 C ATOM 425 C LEU A 31 -5.748 3.256 8.404 1.00 0.00 C ATOM 426 O LEU A 31 -5.699 4.401 8.851 1.00 0.00 O ATOM 427 CB LEU A 31 -8.097 3.023 7.408 1.00 0.00 C ATOM 428 CG LEU A 31 -9.497 2.412 7.494 1.00 0.00 C ATOM 429 CD1 LEU A 31 -10.406 3.247 8.397 1.00 0.00 C ATOM 430 CD2 LEU A 31 -10.096 2.217 6.099 1.00 0.00 C ATOM 0 H LEU A 31 -7.848 3.378 10.125 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.839 1.468 8.066 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.182 4.100 7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.716 2.869 6.398 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.412 1.425 7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.395 2.790 8.440 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.982 3.290 9.400 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.490 4.257 7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.091 1.781 6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.166 3.181 5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.458 1.550 5.519 1.00 0.00 H new ATOM 442 N GLU A 32 -4.712 2.602 7.899 1.00 0.00 N ATOM 443 CA GLU A 32 -3.397 3.217 7.839 1.00 0.00 C ATOM 444 C GLU A 32 -2.976 3.428 6.383 1.00 0.00 C ATOM 445 O GLU A 32 -2.733 2.465 5.657 1.00 0.00 O ATOM 446 CB GLU A 32 -2.363 2.377 8.592 1.00 0.00 C ATOM 447 CG GLU A 32 -1.762 3.163 9.758 1.00 0.00 C ATOM 448 CD GLU A 32 -1.287 2.222 10.867 1.00 0.00 C ATOM 449 OE1 GLU A 32 -2.167 1.701 11.585 1.00 0.00 O ATOM 450 OE2 GLU A 32 -0.054 2.044 10.971 1.00 0.00 O ATOM 0 H GLU A 32 -4.757 1.653 7.528 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.450 4.190 8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.831 1.467 8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.571 2.071 7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.925 3.764 9.403 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.505 3.854 10.156 1.00 0.00 H new ATOM 457 N VAL A 33 -2.903 4.694 5.999 1.00 0.00 N ATOM 458 CA VAL A 33 -2.516 5.043 4.643 1.00 0.00 C ATOM 459 C VAL A 33 -1.208 5.836 4.678 1.00 0.00 C ATOM 460 O VAL A 33 -1.127 6.878 5.327 1.00 0.00 O ATOM 461 CB VAL A 33 -3.653 5.798 3.952 1.00 0.00 C ATOM 462 CG1 VAL A 33 -4.459 6.618 4.960 1.00 0.00 C ATOM 463 CG2 VAL A 33 -3.119 6.685 2.826 1.00 0.00 C ATOM 0 H VAL A 33 -3.105 5.490 6.603 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.336 4.143 4.055 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.322 5.061 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.261 7.145 4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.887 5.953 5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.805 7.341 5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.948 7.210 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.417 7.411 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.610 6.067 2.086 1.00 0.00 H new ATOM 473 N ARG A 34 -0.216 5.313 3.973 1.00 0.00 N ATOM 474 CA ARG A 34 1.084 5.959 3.916 1.00 0.00 C ATOM 475 C ARG A 34 1.310 6.576 2.535 1.00 0.00 C ATOM 476 O ARG A 34 1.090 5.923 1.516 1.00 0.00 O ATOM 477 CB ARG A 34 2.208 4.963 4.213 1.00 0.00 C ATOM 478 CG ARG A 34 2.584 4.986 5.695 1.00 0.00 C ATOM 479 CD ARG A 34 3.589 3.880 6.023 1.00 0.00 C ATOM 480 NE ARG A 34 4.464 4.306 7.138 1.00 0.00 N ATOM 481 CZ ARG A 34 5.462 3.563 7.636 1.00 0.00 C ATOM 482 NH1 ARG A 34 5.718 2.353 7.120 1.00 0.00 N ATOM 483 NH2 ARG A 34 6.205 4.030 8.649 1.00 0.00 N ATOM 0 H ARG A 34 -0.286 4.449 3.436 1.00 0.00 H new ATOM 0 HA ARG A 34 1.099 6.742 4.674 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.893 3.959 3.930 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.082 5.205 3.609 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.009 5.956 5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.688 4.860 6.303 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.061 2.966 6.293 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.191 3.652 5.144 1.00 0.00 H new ATOM 0 HE ARG A 34 4.297 5.222 7.553 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.153 1.998 6.348 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.478 1.787 7.499 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.011 4.951 9.041 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.964 3.464 9.028 1.00 0.00 H new ATOM 497 N VAL A 35 1.747 7.827 2.545 1.00 0.00 N ATOM 498 CA VAL A 35 2.005 8.539 1.305 1.00 0.00 C ATOM 499 C VAL A 35 3.509 8.787 1.168 1.00 0.00 C ATOM 500 O VAL A 35 4.154 9.246 2.109 1.00 0.00 O ATOM 501 CB VAL A 35 1.181 9.827 1.261 1.00 0.00 C ATOM 502 CG1 VAL A 35 1.320 10.521 -0.096 1.00 0.00 C ATOM 503 CG2 VAL A 35 -0.288 9.550 1.586 1.00 0.00 C ATOM 0 H VAL A 35 1.929 8.365 3.392 1.00 0.00 H new ATOM 0 HA VAL A 35 1.695 7.940 0.449 1.00 0.00 H new ATOM 0 HB VAL A 35 1.572 10.500 2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.724 11.434 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.367 10.770 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.968 9.854 -0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.851 10.482 1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.696 8.850 0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.365 9.120 2.585 1.00 0.00 H new ATOM 513 N PRO A 36 4.036 8.462 -0.043 1.00 0.00 N ATOM 514 CA PRO A 36 5.452 8.644 -0.315 1.00 0.00 C ATOM 515 C PRO A 36 5.783 10.123 -0.528 1.00 0.00 C ATOM 516 O PRO A 36 5.005 10.856 -1.136 1.00 0.00 O ATOM 517 CB PRO A 36 5.729 7.791 -1.542 1.00 0.00 C ATOM 518 CG PRO A 36 4.376 7.533 -2.185 1.00 0.00 C ATOM 519 CD PRO A 36 3.302 7.915 -1.180 1.00 0.00 C ATOM 0 HA PRO A 36 6.084 8.337 0.518 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.398 8.305 -2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.215 6.855 -1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.270 8.118 -3.098 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.280 6.484 -2.466 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.613 8.650 -1.597 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.707 7.050 -0.888 1.00 0.00 H new ATOM 527 N VAL A 37 6.940 10.517 -0.016 1.00 0.00 N ATOM 528 CA VAL A 37 7.384 11.894 -0.143 1.00 0.00 C ATOM 529 C VAL A 37 8.805 11.918 -0.710 1.00 0.00 C ATOM 530 O VAL A 37 9.531 10.929 -0.616 1.00 0.00 O ATOM 531 CB VAL A 37 7.267 12.608 1.206 1.00 0.00 C ATOM 532 CG1 VAL A 37 5.822 12.596 1.709 1.00 0.00 C ATOM 533 CG2 VAL A 37 8.212 11.989 2.237 1.00 0.00 C ATOM 0 H VAL A 37 7.583 9.906 0.488 1.00 0.00 H new ATOM 0 HA VAL A 37 6.747 12.437 -0.841 1.00 0.00 H new ATOM 0 HB VAL A 37 7.563 13.647 1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.767 13.110 2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.182 13.104 0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.487 11.566 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.109 12.515 3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.961 10.937 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.240 12.073 1.885 1.00 0.00 H new ATOM 543 N PRO A 38 9.169 13.087 -1.301 1.00 0.00 N ATOM 544 CA PRO A 38 10.490 13.252 -1.883 1.00 0.00 C ATOM 545 C PRO A 38 11.550 13.432 -0.795 1.00 0.00 C ATOM 546 O PRO A 38 11.231 13.434 0.393 1.00 0.00 O ATOM 547 CB PRO A 38 10.368 14.459 -2.799 1.00 0.00 C ATOM 548 CG PRO A 38 9.122 15.203 -2.345 1.00 0.00 C ATOM 549 CD PRO A 38 8.336 14.279 -1.430 1.00 0.00 C ATOM 0 HA PRO A 38 10.816 12.375 -2.443 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.250 15.095 -2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.281 14.151 -3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.394 16.119 -1.820 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.517 15.495 -3.204 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.155 14.742 -0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.362 14.037 -1.854 1.00 0.00 H new ATOM 557 N LYS A 39 12.790 13.580 -1.240 1.00 0.00 N ATOM 558 CA LYS A 39 13.899 13.760 -0.318 1.00 0.00 C ATOM 559 C LYS A 39 14.047 15.247 0.009 1.00 0.00 C ATOM 560 O LYS A 39 15.057 15.664 0.574 1.00 0.00 O ATOM 561 CB LYS A 39 15.171 13.124 -0.881 1.00 0.00 C ATOM 562 CG LYS A 39 14.835 11.977 -1.836 1.00 0.00 C ATOM 563 CD LYS A 39 14.935 12.429 -3.294 1.00 0.00 C ATOM 564 CE LYS A 39 14.111 11.520 -4.208 1.00 0.00 C ATOM 565 NZ LYS A 39 12.978 12.267 -4.798 1.00 0.00 N ATOM 0 H LYS A 39 13.051 13.579 -2.226 1.00 0.00 H new ATOM 0 HA LYS A 39 13.702 13.245 0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.757 13.878 -1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.788 12.752 -0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.516 11.144 -1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.828 11.613 -1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.583 13.457 -3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.978 12.420 -3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.744 11.122 -5.001 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.736 10.668 -3.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.429 11.635 -5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.365 12.626 -4.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.342 13.066 -5.356 1.00 0.00 H new ATOM 579 N HIS A 40 13.027 16.007 -0.361 1.00 0.00 N ATOM 580 CA HIS A 40 13.031 17.439 -0.114 1.00 0.00 C ATOM 581 C HIS A 40 11.905 17.795 0.859 1.00 0.00 C ATOM 582 O HIS A 40 11.764 18.951 1.254 1.00 0.00 O ATOM 583 CB HIS A 40 12.949 18.217 -1.428 1.00 0.00 C ATOM 584 CG HIS A 40 11.584 18.190 -2.074 1.00 0.00 C ATOM 585 ND1 HIS A 40 11.354 17.626 -3.316 1.00 0.00 N ATOM 586 CD2 HIS A 40 10.381 18.660 -1.636 1.00 0.00 C ATOM 587 CE1 HIS A 40 10.067 17.758 -3.604 1.00 0.00 C ATOM 588 NE2 HIS A 40 9.466 18.400 -2.561 1.00 0.00 N ATOM 0 H HIS A 40 12.191 15.658 -0.830 1.00 0.00 H new ATOM 0 HA HIS A 40 13.972 17.729 0.353 1.00 0.00 H new ATOM 0 HB2 HIS A 40 13.232 19.253 -1.243 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.679 17.808 -2.127 1.00 0.00 H new ATOM 0 HD1 HIS A 40 12.056 17.184 -3.909 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.203 19.159 -0.695 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.580 17.417 -4.506 1.00 0.00 H new ATOM 596 N VAL A 41 11.131 16.780 1.215 1.00 0.00 N ATOM 597 CA VAL A 41 10.021 16.972 2.134 1.00 0.00 C ATOM 598 C VAL A 41 10.449 16.547 3.540 1.00 0.00 C ATOM 599 O VAL A 41 10.619 15.358 3.808 1.00 0.00 O ATOM 600 CB VAL A 41 8.789 16.218 1.630 1.00 0.00 C ATOM 601 CG1 VAL A 41 7.826 15.911 2.779 1.00 0.00 C ATOM 602 CG2 VAL A 41 8.085 16.999 0.518 1.00 0.00 C ATOM 0 H VAL A 41 11.250 15.823 0.884 1.00 0.00 H new ATOM 0 HA VAL A 41 9.743 18.025 2.184 1.00 0.00 H new ATOM 0 HB VAL A 41 9.125 15.269 1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.959 15.375 2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.332 15.296 3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.500 16.844 3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.213 16.441 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.769 17.970 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.772 17.143 -0.316 1.00 0.00 H new ATOM 612 N VAL A 42 10.611 17.541 4.401 1.00 0.00 N ATOM 613 CA VAL A 42 11.016 17.284 5.772 1.00 0.00 C ATOM 614 C VAL A 42 10.089 18.044 6.723 1.00 0.00 C ATOM 615 O VAL A 42 9.687 17.515 7.758 1.00 0.00 O ATOM 616 CB VAL A 42 12.491 17.645 5.959 1.00 0.00 C ATOM 617 CG1 VAL A 42 13.394 16.668 5.205 1.00 0.00 C ATOM 618 CG2 VAL A 42 12.761 19.088 5.527 1.00 0.00 C ATOM 0 H VAL A 42 10.469 18.526 4.175 1.00 0.00 H new ATOM 0 HA VAL A 42 10.923 16.223 6.005 1.00 0.00 H new ATOM 0 HB VAL A 42 12.724 17.564 7.021 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.437 16.947 5.354 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.231 15.658 5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.158 16.702 4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.817 19.319 5.670 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.503 19.207 4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 42 12.156 19.767 6.128 1.00 0.00 H new ATOM 628 N LYS A 43 9.777 19.273 6.339 1.00 0.00 N ATOM 629 CA LYS A 43 8.905 20.111 7.144 1.00 0.00 C ATOM 630 C LYS A 43 7.447 19.752 6.851 1.00 0.00 C ATOM 631 O LYS A 43 7.058 19.621 5.691 1.00 0.00 O ATOM 632 CB LYS A 43 9.231 21.589 6.926 1.00 0.00 C ATOM 633 CG LYS A 43 10.443 22.013 7.759 1.00 0.00 C ATOM 634 CD LYS A 43 11.414 22.852 6.926 1.00 0.00 C ATOM 635 CE LYS A 43 12.733 23.063 7.672 1.00 0.00 C ATOM 636 NZ LYS A 43 13.029 24.508 7.802 1.00 0.00 N ATOM 0 H LYS A 43 10.113 19.709 5.480 1.00 0.00 H new ATOM 0 HA LYS A 43 9.072 19.926 8.205 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.431 21.769 5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.369 22.199 7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.111 22.587 8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.955 21.129 8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.605 22.356 5.974 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.963 23.817 6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.676 22.607 8.660 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.543 22.566 7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.927 24.634 8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.104 24.933 6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.264 24.973 8.331 1.00 0.00 H new ATOM 650 N GLY A 44 6.680 19.605 7.921 1.00 0.00 N ATOM 651 CA GLY A 44 5.273 19.265 7.793 1.00 0.00 C ATOM 652 C GLY A 44 4.560 20.230 6.845 1.00 0.00 C ATOM 653 O GLY A 44 3.653 19.833 6.115 1.00 0.00 O ATOM 0 H GLY A 44 7.006 19.715 8.881 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.174 18.245 7.421 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.797 19.295 8.773 1.00 0.00 H new ATOM 657 N LYS A 45 4.997 21.481 6.886 1.00 0.00 N ATOM 658 CA LYS A 45 4.411 22.506 6.040 1.00 0.00 C ATOM 659 C LYS A 45 4.593 22.115 4.572 1.00 0.00 C ATOM 660 O LYS A 45 3.941 22.675 3.691 1.00 0.00 O ATOM 661 CB LYS A 45 4.988 23.880 6.386 1.00 0.00 C ATOM 662 CG LYS A 45 6.396 24.045 5.810 1.00 0.00 C ATOM 663 CD LYS A 45 6.764 25.524 5.674 1.00 0.00 C ATOM 664 CE LYS A 45 8.027 25.850 6.473 1.00 0.00 C ATOM 665 NZ LYS A 45 8.934 26.709 5.679 1.00 0.00 N ATOM 0 H LYS A 45 5.750 21.807 7.492 1.00 0.00 H new ATOM 0 HA LYS A 45 3.339 22.581 6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.337 24.661 5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.017 24.004 7.469 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.118 23.545 6.456 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.453 23.561 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.921 25.768 4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.938 26.142 6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.758 26.355 7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.538 24.928 6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.787 26.921 6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.205 26.214 4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.449 27.596 5.437 1.00 0.00 H new ATOM 679 N GLN A 46 5.482 21.157 4.353 1.00 0.00 N ATOM 680 CA GLN A 46 5.758 20.685 3.007 1.00 0.00 C ATOM 681 C GLN A 46 4.654 19.733 2.542 1.00 0.00 C ATOM 682 O GLN A 46 4.628 19.326 1.382 1.00 0.00 O ATOM 683 CB GLN A 46 7.130 20.012 2.933 1.00 0.00 C ATOM 684 CG GLN A 46 8.234 20.966 3.391 1.00 0.00 C ATOM 685 CD GLN A 46 9.607 20.481 2.921 1.00 0.00 C ATOM 686 OE1 GLN A 46 10.534 20.314 3.697 1.00 0.00 O ATOM 687 NE2 GLN A 46 9.686 20.266 1.611 1.00 0.00 N ATOM 0 H GLN A 46 6.021 20.695 5.086 1.00 0.00 H new ATOM 0 HA GLN A 46 5.775 21.545 2.337 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.135 19.118 3.557 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.325 19.688 1.911 1.00 0.00 H new ATOM 0 HG2 GLN A 46 8.043 21.965 2.998 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.224 21.044 4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.872 20.426 1.018 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.561 19.941 1.199 1.00 0.00 H new ATOM 696 N VAL A 47 3.769 19.405 3.472 1.00 0.00 N ATOM 697 CA VAL A 47 2.665 18.508 3.172 1.00 0.00 C ATOM 698 C VAL A 47 1.401 19.011 3.872 1.00 0.00 C ATOM 699 O VAL A 47 1.426 19.317 5.063 1.00 0.00 O ATOM 700 CB VAL A 47 3.035 17.075 3.562 1.00 0.00 C ATOM 701 CG1 VAL A 47 3.553 16.295 2.352 1.00 0.00 C ATOM 702 CG2 VAL A 47 4.056 17.063 4.701 1.00 0.00 C ATOM 0 H VAL A 47 3.794 19.744 4.434 1.00 0.00 H new ATOM 0 HA VAL A 47 2.461 18.497 2.101 1.00 0.00 H new ATOM 0 HB VAL A 47 2.131 16.580 3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.809 15.280 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.780 16.260 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.439 16.789 1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.302 16.033 4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.960 17.583 4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.635 17.564 5.572 1.00 0.00 H new ATOM 712 N SER A 48 0.325 19.081 3.101 1.00 0.00 N ATOM 713 CA SER A 48 -0.947 19.541 3.632 1.00 0.00 C ATOM 714 C SER A 48 -1.820 18.344 4.011 1.00 0.00 C ATOM 715 O SER A 48 -1.788 17.312 3.343 1.00 0.00 O ATOM 716 CB SER A 48 -1.675 20.431 2.622 1.00 0.00 C ATOM 717 OG SER A 48 -0.846 21.487 2.145 1.00 0.00 O ATOM 0 H SER A 48 0.308 18.827 2.113 1.00 0.00 H new ATOM 0 HA SER A 48 -0.751 20.135 4.524 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.010 19.825 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.567 20.852 3.087 1.00 0.00 H new ATOM 0 HG SER A 48 -1.347 22.031 1.502 1.00 0.00 H new ATOM 723 N VAL A 49 -2.579 18.521 5.082 1.00 0.00 N ATOM 724 CA VAL A 49 -3.459 17.467 5.558 1.00 0.00 C ATOM 725 C VAL A 49 -4.798 18.078 5.979 1.00 0.00 C ATOM 726 O VAL A 49 -4.857 18.860 6.927 1.00 0.00 O ATOM 727 CB VAL A 49 -2.779 16.686 6.684 1.00 0.00 C ATOM 728 CG1 VAL A 49 -3.814 16.010 7.586 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.791 15.662 6.122 1.00 0.00 C ATOM 0 H VAL A 49 -2.603 19.378 5.634 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.663 16.752 4.761 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.218 17.396 7.291 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.304 15.462 8.378 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.461 16.767 8.028 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.415 15.319 6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.322 15.121 6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.322 14.959 5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.025 16.176 5.542 1.00 0.00 H new ATOM 739 N ALA A 50 -5.839 17.699 5.253 1.00 0.00 N ATOM 740 CA ALA A 50 -7.173 18.200 5.539 1.00 0.00 C ATOM 741 C ALA A 50 -8.047 17.050 6.042 1.00 0.00 C ATOM 742 O ALA A 50 -8.414 16.162 5.273 1.00 0.00 O ATOM 743 CB ALA A 50 -7.748 18.865 4.286 1.00 0.00 C ATOM 0 H ALA A 50 -5.786 17.051 4.467 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.140 18.956 6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.748 19.241 4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.106 19.693 3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.800 18.135 3.478 1.00 0.00 H new ATOM 749 N LEU A 51 -8.356 17.103 7.329 1.00 0.00 N ATOM 750 CA LEU A 51 -9.181 16.077 7.944 1.00 0.00 C ATOM 751 C LEU A 51 -10.555 16.663 8.273 1.00 0.00 C ATOM 752 O LEU A 51 -10.651 17.710 8.911 1.00 0.00 O ATOM 753 CB LEU A 51 -8.467 15.468 9.152 1.00 0.00 C ATOM 754 CG LEU A 51 -7.166 14.719 8.855 1.00 0.00 C ATOM 755 CD1 LEU A 51 -6.400 14.418 10.145 1.00 0.00 C ATOM 756 CD2 LEU A 51 -7.436 13.453 8.040 1.00 0.00 C ATOM 0 H LEU A 51 -8.050 17.841 7.963 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.344 15.252 7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.249 16.267 9.861 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.154 14.781 9.647 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.532 15.364 8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.480 13.885 9.906 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.157 15.353 10.651 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.017 13.801 10.799 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.495 12.940 7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.098 12.794 8.601 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.907 13.722 7.095 1.00 0.00 H new ATOM 768 N SER A 52 -11.586 15.961 7.823 1.00 0.00 N ATOM 769 CA SER A 52 -12.950 16.399 8.062 1.00 0.00 C ATOM 770 C SER A 52 -13.744 15.286 8.750 1.00 0.00 C ATOM 771 O SER A 52 -14.148 15.429 9.903 1.00 0.00 O ATOM 772 CB SER A 52 -13.634 16.808 6.756 1.00 0.00 C ATOM 773 OG SER A 52 -13.301 18.140 6.374 1.00 0.00 O ATOM 0 H SER A 52 -11.503 15.093 7.295 1.00 0.00 H new ATOM 0 HA SER A 52 -12.919 17.272 8.714 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.342 16.120 5.963 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.715 16.723 6.870 1.00 0.00 H new ATOM 0 HG SER A 52 -13.756 18.363 5.535 1.00 0.00 H new ATOM 779 N SER A 53 -13.943 14.203 8.014 1.00 0.00 N ATOM 780 CA SER A 53 -14.681 13.066 8.539 1.00 0.00 C ATOM 781 C SER A 53 -14.891 12.025 7.438 1.00 0.00 C ATOM 782 O SER A 53 -14.653 10.837 7.648 1.00 0.00 O ATOM 783 CB SER A 53 -16.027 13.504 9.120 1.00 0.00 C ATOM 784 OG SER A 53 -16.853 12.391 9.450 1.00 0.00 O ATOM 0 H SER A 53 -13.606 14.088 7.058 1.00 0.00 H new ATOM 0 HA SER A 53 -14.096 12.621 9.344 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.858 14.107 10.012 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.544 14.138 8.400 1.00 0.00 H new ATOM 0 HG SER A 53 -17.538 12.671 10.092 1.00 0.00 H new ATOM 790 N SER A 54 -15.336 12.509 6.287 1.00 0.00 N ATOM 791 CA SER A 54 -15.581 11.635 5.153 1.00 0.00 C ATOM 792 C SER A 54 -14.756 12.096 3.949 1.00 0.00 C ATOM 793 O SER A 54 -15.180 11.939 2.805 1.00 0.00 O ATOM 794 CB SER A 54 -17.069 11.602 4.795 1.00 0.00 C ATOM 795 OG SER A 54 -17.516 12.843 4.255 1.00 0.00 O ATOM 0 H SER A 54 -15.533 13.495 6.116 1.00 0.00 H new ATOM 0 HA SER A 54 -15.278 10.625 5.428 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.251 10.806 4.073 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.651 11.363 5.685 1.00 0.00 H new ATOM 0 HG SER A 54 -18.470 12.781 4.038 1.00 0.00 H new ATOM 801 N SER A 55 -13.593 12.655 4.249 1.00 0.00 N ATOM 802 CA SER A 55 -12.705 13.139 3.206 1.00 0.00 C ATOM 803 C SER A 55 -11.275 13.241 3.742 1.00 0.00 C ATOM 804 O SER A 55 -11.042 13.064 4.937 1.00 0.00 O ATOM 805 CB SER A 55 -13.170 14.495 2.672 1.00 0.00 C ATOM 806 OG SER A 55 -12.283 15.013 1.684 1.00 0.00 O ATOM 0 H SER A 55 -13.245 12.784 5.199 1.00 0.00 H new ATOM 0 HA SER A 55 -12.727 12.427 2.381 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.168 14.394 2.246 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.246 15.203 3.497 1.00 0.00 H new ATOM 0 HG SER A 55 -11.585 15.547 2.118 1.00 0.00 H new ATOM 812 N ILE A 56 -10.355 13.527 2.832 1.00 0.00 N ATOM 813 CA ILE A 56 -8.955 13.655 3.199 1.00 0.00 C ATOM 814 C ILE A 56 -8.192 14.325 2.054 1.00 0.00 C ATOM 815 O ILE A 56 -8.612 14.256 0.900 1.00 0.00 O ATOM 816 CB ILE A 56 -8.382 12.297 3.608 1.00 0.00 C ATOM 817 CG1 ILE A 56 -6.956 12.442 4.142 1.00 0.00 C ATOM 818 CG2 ILE A 56 -8.462 11.297 2.453 1.00 0.00 C ATOM 819 CD1 ILE A 56 -5.943 12.487 2.996 1.00 0.00 C ATOM 0 H ILE A 56 -10.552 13.674 1.842 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.847 14.297 4.074 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.991 11.900 4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.878 13.352 4.737 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.725 11.607 4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.048 10.340 2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.503 11.162 2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.892 11.675 1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.937 12.590 3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.007 11.566 2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.162 13.337 2.350 1.00 0.00 H new ATOM 831 N ARG A 57 -7.085 14.957 2.414 1.00 0.00 N ATOM 832 CA ARG A 57 -6.260 15.639 1.431 1.00 0.00 C ATOM 833 C ARG A 57 -4.779 15.498 1.792 1.00 0.00 C ATOM 834 O ARG A 57 -4.398 15.682 2.947 1.00 0.00 O ATOM 835 CB ARG A 57 -6.618 17.124 1.345 1.00 0.00 C ATOM 836 CG ARG A 57 -5.845 17.810 0.218 1.00 0.00 C ATOM 837 CD ARG A 57 -6.196 19.297 0.139 1.00 0.00 C ATOM 838 NE ARG A 57 -4.979 20.090 -0.145 1.00 0.00 N ATOM 839 CZ ARG A 57 -4.988 21.304 -0.712 1.00 0.00 C ATOM 840 NH1 ARG A 57 -6.151 21.872 -1.060 1.00 0.00 N ATOM 841 NH2 ARG A 57 -3.835 21.950 -0.931 1.00 0.00 N ATOM 0 H ARG A 57 -6.740 15.011 3.372 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.448 15.176 0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.689 17.234 1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.394 17.611 2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.774 17.694 0.384 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.075 17.327 -0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.938 19.463 -0.642 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.642 19.624 1.078 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.076 19.687 0.107 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.029 21.380 -0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.158 22.796 -1.492 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.950 21.518 -0.666 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.842 22.874 -1.363 1.00 0.00 H new ATOM 855 N VAL A 58 -3.985 15.174 0.782 1.00 0.00 N ATOM 856 CA VAL A 58 -2.555 15.006 0.979 1.00 0.00 C ATOM 857 C VAL A 58 -1.806 15.648 -0.190 1.00 0.00 C ATOM 858 O VAL A 58 -1.655 15.036 -1.247 1.00 0.00 O ATOM 859 CB VAL A 58 -2.222 13.524 1.162 1.00 0.00 C ATOM 860 CG1 VAL A 58 -0.710 13.310 1.252 1.00 0.00 C ATOM 861 CG2 VAL A 58 -2.931 12.950 2.390 1.00 0.00 C ATOM 0 H VAL A 58 -4.305 15.023 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.232 15.512 1.889 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.585 12.988 0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.500 12.248 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.237 13.664 0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.314 13.865 2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.677 11.895 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.612 13.492 3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.009 13.053 2.269 1.00 0.00 H new ATOM 871 N ALA A 59 -1.355 16.873 0.038 1.00 0.00 N ATOM 872 CA ALA A 59 -0.625 17.604 -0.983 1.00 0.00 C ATOM 873 C ALA A 59 0.748 18.002 -0.437 1.00 0.00 C ATOM 874 O ALA A 59 0.848 18.544 0.663 1.00 0.00 O ATOM 875 CB ALA A 59 -1.447 18.814 -1.432 1.00 0.00 C ATOM 0 H ALA A 59 -1.481 17.378 0.915 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.462 16.977 -1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.899 19.362 -2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.400 18.476 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.629 19.467 -0.579 1.00 0.00 H new ATOM 881 N MET A 60 1.770 17.717 -1.230 1.00 0.00 N ATOM 882 CA MET A 60 3.132 18.038 -0.839 1.00 0.00 C ATOM 883 C MET A 60 3.678 19.207 -1.662 1.00 0.00 C ATOM 884 O MET A 60 3.495 19.253 -2.878 1.00 0.00 O ATOM 885 CB MET A 60 4.024 16.812 -1.040 1.00 0.00 C ATOM 886 CG MET A 60 3.959 16.318 -2.487 1.00 0.00 C ATOM 887 SD MET A 60 5.594 15.885 -3.058 1.00 0.00 S ATOM 888 CE MET A 60 6.372 17.490 -3.017 1.00 0.00 C ATOM 0 H MET A 60 1.682 17.267 -2.141 1.00 0.00 H new ATOM 0 HA MET A 60 3.129 18.328 0.212 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.054 17.061 -0.783 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.711 16.015 -0.365 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.300 15.453 -2.555 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.535 17.093 -3.126 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.201 17.511 -3.725 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.644 18.254 -3.288 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.748 17.687 -2.013 1.00 0.00 H new ATOM 898 N LEU A 61 4.336 20.122 -0.967 1.00 0.00 N ATOM 899 CA LEU A 61 4.910 21.288 -1.618 1.00 0.00 C ATOM 900 C LEU A 61 6.029 20.841 -2.560 1.00 0.00 C ATOM 901 O LEU A 61 6.825 19.969 -2.215 1.00 0.00 O ATOM 902 CB LEU A 61 5.355 22.318 -0.578 1.00 0.00 C ATOM 903 CG LEU A 61 4.236 23.006 0.206 1.00 0.00 C ATOM 904 CD1 LEU A 61 4.706 24.351 0.765 1.00 0.00 C ATOM 905 CD2 LEU A 61 2.975 23.150 -0.648 1.00 0.00 C ATOM 0 H LEU A 61 4.485 20.080 0.041 1.00 0.00 H new ATOM 0 HA LEU A 61 4.161 21.791 -2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.019 21.825 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.942 23.085 -1.083 1.00 0.00 H new ATOM 0 HG LEU A 61 3.978 22.375 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.892 24.820 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.553 24.192 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.008 25.001 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.196 23.642 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.200 23.747 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.629 22.163 -0.956 1.00 0.00 H new ATOM 917 N GLU A 62 6.056 21.459 -3.732 1.00 0.00 N ATOM 918 CA GLU A 62 7.065 21.136 -4.726 1.00 0.00 C ATOM 919 C GLU A 62 8.163 22.202 -4.734 1.00 0.00 C ATOM 920 O GLU A 62 8.164 23.103 -3.896 1.00 0.00 O ATOM 921 CB GLU A 62 6.438 20.984 -6.113 1.00 0.00 C ATOM 922 CG GLU A 62 5.737 19.631 -6.253 1.00 0.00 C ATOM 923 CD GLU A 62 6.617 18.633 -7.008 1.00 0.00 C ATOM 924 OE1 GLU A 62 6.525 18.625 -8.254 1.00 0.00 O ATOM 925 OE2 GLU A 62 7.362 17.901 -6.321 1.00 0.00 O ATOM 0 H GLU A 62 5.395 22.182 -4.015 1.00 0.00 H new ATOM 0 HA GLU A 62 7.516 20.180 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.722 21.788 -6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.210 21.079 -6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.499 19.237 -5.265 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.792 19.760 -6.781 1.00 0.00 H new ATOM 932 N GLU A 63 9.070 22.064 -5.689 1.00 0.00 N ATOM 933 CA GLU A 63 10.171 23.004 -5.817 1.00 0.00 C ATOM 934 C GLU A 63 9.673 24.329 -6.396 1.00 0.00 C ATOM 935 O GLU A 63 10.340 25.355 -6.272 1.00 0.00 O ATOM 936 CB GLU A 63 11.295 22.418 -6.674 1.00 0.00 C ATOM 937 CG GLU A 63 12.375 21.778 -5.800 1.00 0.00 C ATOM 938 CD GLU A 63 13.379 20.998 -6.651 1.00 0.00 C ATOM 939 OE1 GLU A 63 14.090 21.659 -7.438 1.00 0.00 O ATOM 940 OE2 GLU A 63 13.411 19.758 -6.496 1.00 0.00 O ATOM 0 H GLU A 63 9.065 21.315 -6.382 1.00 0.00 H new ATOM 0 HA GLU A 63 10.578 23.195 -4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.886 21.673 -7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.737 23.204 -7.287 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.895 22.551 -5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.912 21.110 -5.074 1.00 0.00 H new ATOM 947 N ASN A 64 8.504 24.265 -7.018 1.00 0.00 N ATOM 948 CA ASN A 64 7.909 25.447 -7.617 1.00 0.00 C ATOM 949 C ASN A 64 6.386 25.305 -7.609 1.00 0.00 C ATOM 950 O ASN A 64 5.733 25.523 -8.628 1.00 0.00 O ATOM 951 CB ASN A 64 8.360 25.615 -9.069 1.00 0.00 C ATOM 952 CG ASN A 64 8.533 27.094 -9.422 1.00 0.00 C ATOM 953 OD1 ASN A 64 7.736 27.943 -9.057 1.00 0.00 O ATOM 954 ND2 ASN A 64 9.615 27.353 -10.150 1.00 0.00 N ATOM 0 H ASN A 64 7.953 23.412 -7.120 1.00 0.00 H new ATOM 0 HA ASN A 64 8.226 26.314 -7.038 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.301 25.088 -9.224 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.627 25.162 -9.736 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.819 28.310 -10.437 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.241 26.595 -10.421 1.00 0.00 H new ATOM 961 N GLY A 65 5.863 24.942 -6.446 1.00 0.00 N ATOM 962 CA GLY A 65 4.429 24.769 -6.292 1.00 0.00 C ATOM 963 C GLY A 65 4.115 23.632 -5.317 1.00 0.00 C ATOM 964 O GLY A 65 4.752 23.513 -4.272 1.00 0.00 O ATOM 0 H GLY A 65 6.407 24.763 -5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.984 25.696 -5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.979 24.556 -7.262 1.00 0.00 H new ATOM 968 N GLU A 66 3.135 22.825 -5.695 1.00 0.00 N ATOM 969 CA GLU A 66 2.729 21.702 -4.867 1.00 0.00 C ATOM 970 C GLU A 66 1.942 20.687 -5.699 1.00 0.00 C ATOM 971 O GLU A 66 1.518 20.988 -6.813 1.00 0.00 O ATOM 972 CB GLU A 66 1.913 22.175 -3.663 1.00 0.00 C ATOM 973 CG GLU A 66 0.444 22.374 -4.040 1.00 0.00 C ATOM 974 CD GLU A 66 0.312 23.233 -5.299 1.00 0.00 C ATOM 975 OE1 GLU A 66 0.764 24.397 -5.241 1.00 0.00 O ATOM 976 OE2 GLU A 66 -0.237 22.707 -6.290 1.00 0.00 O ATOM 0 H GLU A 66 2.610 22.926 -6.564 1.00 0.00 H new ATOM 0 HA GLU A 66 3.626 21.213 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.990 21.444 -2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.325 23.111 -3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.027 21.405 -4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.086 22.849 -3.214 1.00 0.00 H new ATOM 983 N ARG A 67 1.770 19.506 -5.124 1.00 0.00 N ATOM 984 CA ARG A 67 1.041 18.445 -5.798 1.00 0.00 C ATOM 985 C ARG A 67 0.173 17.678 -4.797 1.00 0.00 C ATOM 986 O ARG A 67 0.598 17.420 -3.672 1.00 0.00 O ATOM 987 CB ARG A 67 1.998 17.469 -6.485 1.00 0.00 C ATOM 988 CG ARG A 67 1.228 16.355 -7.196 1.00 0.00 C ATOM 989 CD ARG A 67 2.046 15.775 -8.352 1.00 0.00 C ATOM 990 NE ARG A 67 1.229 15.745 -9.586 1.00 0.00 N ATOM 991 CZ ARG A 67 0.966 16.822 -10.338 1.00 0.00 C ATOM 992 NH1 ARG A 67 1.454 18.020 -9.988 1.00 0.00 N ATOM 993 NH2 ARG A 67 0.215 16.701 -11.442 1.00 0.00 N ATOM 0 H ARG A 67 2.123 19.260 -4.199 1.00 0.00 H new ATOM 0 HA ARG A 67 0.407 18.908 -6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.616 18.006 -7.205 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.673 17.036 -5.747 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.985 15.565 -6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.283 16.745 -7.574 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.941 16.377 -8.513 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.380 14.768 -8.103 1.00 0.00 H new ATOM 0 HE ARG A 67 0.842 14.849 -9.882 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.026 18.112 -9.149 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.253 18.840 -10.561 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.156 15.789 -11.709 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.015 17.521 -12.015 1.00 0.00 H new ATOM 1007 N VAL A 68 -1.026 17.336 -5.243 1.00 0.00 N ATOM 1008 CA VAL A 68 -1.957 16.604 -4.401 1.00 0.00 C ATOM 1009 C VAL A 68 -1.713 15.102 -4.563 1.00 0.00 C ATOM 1010 O VAL A 68 -2.171 14.496 -5.531 1.00 0.00 O ATOM 1011 CB VAL A 68 -3.394 17.014 -4.730 1.00 0.00 C ATOM 1012 CG1 VAL A 68 -4.396 16.227 -3.883 1.00 0.00 C ATOM 1013 CG2 VAL A 68 -3.589 18.521 -4.549 1.00 0.00 C ATOM 0 H VAL A 68 -1.375 17.552 -6.177 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.795 16.849 -3.351 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.579 16.775 -5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.410 16.538 -4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.283 15.161 -4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.211 16.421 -2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.619 18.786 -4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.376 18.794 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.912 19.058 -5.213 1.00 0.00 H new ATOM 1023 N LEU A 69 -0.991 14.545 -3.602 1.00 0.00 N ATOM 1024 CA LEU A 69 -0.681 13.126 -3.625 1.00 0.00 C ATOM 1025 C LEU A 69 -1.980 12.322 -3.540 1.00 0.00 C ATOM 1026 O LEU A 69 -2.295 11.547 -4.442 1.00 0.00 O ATOM 1027 CB LEU A 69 0.329 12.780 -2.529 1.00 0.00 C ATOM 1028 CG LEU A 69 1.578 13.662 -2.466 1.00 0.00 C ATOM 1029 CD1 LEU A 69 2.431 13.317 -1.243 1.00 0.00 C ATOM 1030 CD2 LEU A 69 2.379 13.574 -3.766 1.00 0.00 C ATOM 0 H LEU A 69 -0.612 15.051 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.201 12.857 -4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.178 12.833 -1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.645 11.746 -2.667 1.00 0.00 H new ATOM 0 HG LEU A 69 1.259 14.698 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.312 13.958 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.847 13.473 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.742 12.274 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.261 14.210 -3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.689 12.542 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.759 13.906 -4.599 1.00 0.00 H new ATOM 1042 N MET A 70 -2.699 12.535 -2.448 1.00 0.00 N ATOM 1043 CA MET A 70 -3.957 11.840 -2.234 1.00 0.00 C ATOM 1044 C MET A 70 -5.058 12.816 -1.814 1.00 0.00 C ATOM 1045 O MET A 70 -4.787 13.813 -1.148 1.00 0.00 O ATOM 1046 CB MET A 70 -3.775 10.778 -1.147 1.00 0.00 C ATOM 1047 CG MET A 70 -5.095 10.064 -0.851 1.00 0.00 C ATOM 1048 SD MET A 70 -4.838 8.782 0.364 1.00 0.00 S ATOM 1049 CE MET A 70 -6.528 8.290 0.658 1.00 0.00 C ATOM 0 H MET A 70 -2.435 13.179 -1.702 1.00 0.00 H new ATOM 0 HA MET A 70 -4.253 11.368 -3.171 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.028 10.051 -1.465 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.398 11.245 -0.237 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.831 10.780 -0.486 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.498 9.632 -1.767 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.585 7.203 0.721 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.876 8.726 1.594 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.156 8.639 -0.161 1.00 0.00 H new ATOM 1059 N GLU A 71 -6.277 12.493 -2.222 1.00 0.00 N ATOM 1060 CA GLU A 71 -7.420 13.329 -1.897 1.00 0.00 C ATOM 1061 C GLU A 71 -8.706 12.703 -2.440 1.00 0.00 C ATOM 1062 O GLU A 71 -8.668 11.922 -3.389 1.00 0.00 O ATOM 1063 CB GLU A 71 -7.232 14.749 -2.435 1.00 0.00 C ATOM 1064 CG GLU A 71 -8.293 15.695 -1.869 1.00 0.00 C ATOM 1065 CD GLU A 71 -8.042 17.134 -2.323 1.00 0.00 C ATOM 1066 OE1 GLU A 71 -6.904 17.400 -2.766 1.00 0.00 O ATOM 1067 OE2 GLU A 71 -8.994 17.937 -2.217 1.00 0.00 O ATOM 0 H GLU A 71 -6.498 11.664 -2.774 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.500 13.395 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.238 15.112 -2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.291 14.740 -3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.282 15.374 -2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.285 15.647 -0.780 1.00 0.00 H new ATOM 1074 N GLY A 72 -9.815 13.070 -1.814 1.00 0.00 N ATOM 1075 CA GLY A 72 -11.111 12.554 -2.222 1.00 0.00 C ATOM 1076 C GLY A 72 -11.988 12.252 -1.006 1.00 0.00 C ATOM 1077 O GLY A 72 -11.480 12.054 0.097 1.00 0.00 O ATOM 0 H GLY A 72 -9.843 13.719 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.610 13.280 -2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.976 11.647 -2.812 1.00 0.00 H new ATOM 1081 N LYS A 73 -13.291 12.226 -1.248 1.00 0.00 N ATOM 1082 CA LYS A 73 -14.244 11.951 -0.186 1.00 0.00 C ATOM 1083 C LYS A 73 -14.214 10.458 0.146 1.00 0.00 C ATOM 1084 O LYS A 73 -14.351 9.617 -0.742 1.00 0.00 O ATOM 1085 CB LYS A 73 -15.633 12.468 -0.566 1.00 0.00 C ATOM 1086 CG LYS A 73 -15.632 13.992 -0.702 1.00 0.00 C ATOM 1087 CD LYS A 73 -16.612 14.447 -1.785 1.00 0.00 C ATOM 1088 CE LYS A 73 -17.212 15.812 -1.443 1.00 0.00 C ATOM 1089 NZ LYS A 73 -16.650 16.861 -2.323 1.00 0.00 N ATOM 0 H LYS A 73 -13.709 12.391 -2.164 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.967 12.486 0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.949 12.016 -1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.357 12.167 0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.902 14.446 0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.628 14.338 -0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.099 14.502 -2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.409 13.712 -1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.296 15.778 -1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.007 16.055 -0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.068 17.781 -2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.619 16.904 -2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.868 16.636 -3.315 1.00 0.00 H new ATOM 1103 N LEU A 74 -14.033 10.173 1.427 1.00 0.00 N ATOM 1104 CA LEU A 74 -13.983 8.795 1.888 1.00 0.00 C ATOM 1105 C LEU A 74 -15.359 8.152 1.707 1.00 0.00 C ATOM 1106 O LEU A 74 -16.320 8.826 1.340 1.00 0.00 O ATOM 1107 CB LEU A 74 -13.457 8.729 3.323 1.00 0.00 C ATOM 1108 CG LEU A 74 -12.158 9.490 3.597 1.00 0.00 C ATOM 1109 CD1 LEU A 74 -12.100 9.971 5.048 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -10.938 8.646 3.223 1.00 0.00 C ATOM 0 H LEU A 74 -13.919 10.872 2.161 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.279 8.218 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -14.228 9.115 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.304 7.682 3.585 1.00 0.00 H new ATOM 0 HG LEU A 74 -12.142 10.377 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.167 10.509 5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.942 10.635 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.150 9.113 5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.028 9.211 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.936 7.729 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.979 8.397 2.163 1.00 0.00 H new ATOM 1122 N THR A 75 -15.410 6.855 1.973 1.00 0.00 N ATOM 1123 CA THR A 75 -16.652 6.112 1.845 1.00 0.00 C ATOM 1124 C THR A 75 -17.494 6.258 3.114 1.00 0.00 C ATOM 1125 O THR A 75 -18.721 6.311 3.046 1.00 0.00 O ATOM 1126 CB THR A 75 -16.303 4.661 1.510 1.00 0.00 C ATOM 1127 OG1 THR A 75 -15.572 4.209 2.647 1.00 0.00 O ATOM 1128 CG2 THR A 75 -15.305 4.549 0.356 1.00 0.00 C ATOM 0 H THR A 75 -14.610 6.299 2.277 1.00 0.00 H new ATOM 0 HA THR A 75 -17.268 6.507 1.037 1.00 0.00 H new ATOM 0 HB THR A 75 -17.213 4.119 1.255 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.703 3.859 2.359 1.00 0.00 H new ATOM 0 HG21 THR A 75 -15.092 3.498 0.160 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.729 5.006 -0.538 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.381 5.063 0.623 1.00 0.00 H new ATOM 1136 N HIS A 76 -16.801 6.318 4.241 1.00 0.00 N ATOM 1137 CA HIS A 76 -17.470 6.457 5.524 1.00 0.00 C ATOM 1138 C HIS A 76 -16.823 7.592 6.320 1.00 0.00 C ATOM 1139 O HIS A 76 -15.792 8.128 5.918 1.00 0.00 O ATOM 1140 CB HIS A 76 -17.473 5.127 6.282 1.00 0.00 C ATOM 1141 CG HIS A 76 -17.835 3.935 5.428 1.00 0.00 C ATOM 1142 ND1 HIS A 76 -18.894 3.945 4.537 1.00 0.00 N ATOM 1143 CD2 HIS A 76 -17.267 2.698 5.339 1.00 0.00 C ATOM 1144 CE1 HIS A 76 -18.952 2.761 3.945 1.00 0.00 C ATOM 1145 NE2 HIS A 76 -17.944 1.990 4.444 1.00 0.00 N ATOM 0 H HIS A 76 -15.783 6.273 4.293 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.516 6.721 5.366 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -16.486 4.965 6.715 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -18.177 5.195 7.111 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -19.523 4.730 4.365 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -16.412 2.353 5.901 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -19.672 2.459 3.198 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -17.743 1.027 4.174 1.00 0.00 H new ATOM 1153 N LYS A 77 -17.456 7.924 7.436 1.00 0.00 N ATOM 1154 CA LYS A 77 -16.954 8.986 8.292 1.00 0.00 C ATOM 1155 C LYS A 77 -15.826 8.438 9.169 1.00 0.00 C ATOM 1156 O LYS A 77 -15.564 7.236 9.170 1.00 0.00 O ATOM 1157 CB LYS A 77 -18.099 9.618 9.087 1.00 0.00 C ATOM 1158 CG LYS A 77 -19.020 10.427 8.172 1.00 0.00 C ATOM 1159 CD LYS A 77 -19.966 11.311 8.988 1.00 0.00 C ATOM 1160 CE LYS A 77 -20.468 12.492 8.156 1.00 0.00 C ATOM 1161 NZ LYS A 77 -21.938 12.428 7.999 1.00 0.00 N ATOM 0 H LYS A 77 -18.311 7.477 7.767 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.529 9.791 7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.672 8.838 9.588 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.693 10.265 9.864 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.422 11.048 7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.600 9.751 7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.813 10.720 9.335 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.450 11.680 9.875 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.188 13.429 8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.991 12.483 7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.262 13.237 7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.198 11.543 7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.389 12.459 8.936 1.00 0.00 H new ATOM 1175 N ILE A 78 -15.189 9.346 9.894 1.00 0.00 N ATOM 1176 CA ILE A 78 -14.095 8.969 10.772 1.00 0.00 C ATOM 1177 C ILE A 78 -14.019 9.958 11.937 1.00 0.00 C ATOM 1178 O ILE A 78 -14.640 11.019 11.897 1.00 0.00 O ATOM 1179 CB ILE A 78 -12.791 8.847 9.982 1.00 0.00 C ATOM 1180 CG1 ILE A 78 -12.397 10.191 9.364 1.00 0.00 C ATOM 1181 CG2 ILE A 78 -12.887 7.739 8.932 1.00 0.00 C ATOM 1182 CD1 ILE A 78 -11.285 10.861 10.173 1.00 0.00 C ATOM 0 H ILE A 78 -15.410 10.342 9.891 1.00 0.00 H new ATOM 0 HA ILE A 78 -14.273 7.983 11.201 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.997 8.566 10.674 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.064 10.040 8.337 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.267 10.846 9.324 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.947 7.674 8.385 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -13.087 6.787 9.424 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.696 7.965 8.237 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.024 11.814 9.713 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.630 11.033 11.193 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.408 10.214 10.191 1.00 0.00 H new ATOM 1194 N ASN A 79 -13.252 9.575 12.948 1.00 0.00 N ATOM 1195 CA ASN A 79 -13.086 10.415 14.122 1.00 0.00 C ATOM 1196 C ASN A 79 -11.817 11.255 13.967 1.00 0.00 C ATOM 1197 O ASN A 79 -10.774 10.919 14.526 1.00 0.00 O ATOM 1198 CB ASN A 79 -12.942 9.568 15.388 1.00 0.00 C ATOM 1199 CG ASN A 79 -13.591 10.261 16.588 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -13.207 11.345 16.994 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -14.594 9.576 17.130 1.00 0.00 N ATOM 0 H ASN A 79 -12.739 8.694 12.978 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.968 11.050 14.211 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.405 8.593 15.232 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.886 9.391 15.593 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -15.093 9.954 17.936 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.864 8.673 16.740 1.00 0.00 H new ATOM 1208 N THR A 80 -11.948 12.332 13.206 1.00 0.00 N ATOM 1209 CA THR A 80 -10.824 13.223 12.971 1.00 0.00 C ATOM 1210 C THR A 80 -10.048 13.456 14.269 1.00 0.00 C ATOM 1211 O THR A 80 -8.824 13.575 14.251 1.00 0.00 O ATOM 1212 CB THR A 80 -11.365 14.511 12.347 1.00 0.00 C ATOM 1213 OG1 THR A 80 -12.421 14.903 13.220 1.00 0.00 O ATOM 1214 CG2 THR A 80 -12.061 14.265 11.007 1.00 0.00 C ATOM 0 H THR A 80 -12.815 12.608 12.744 1.00 0.00 H new ATOM 0 HA THR A 80 -10.109 12.783 12.276 1.00 0.00 H new ATOM 0 HB THR A 80 -10.547 15.218 12.207 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.827 15.732 12.891 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.426 15.211 10.608 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.353 13.824 10.305 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.900 13.585 11.152 1.00 0.00 H new ATOM 1222 N GLU A 81 -10.792 13.515 15.364 1.00 0.00 N ATOM 1223 CA GLU A 81 -10.189 13.731 16.668 1.00 0.00 C ATOM 1224 C GLU A 81 -9.185 12.619 16.980 1.00 0.00 C ATOM 1225 O GLU A 81 -8.042 12.894 17.342 1.00 0.00 O ATOM 1226 CB GLU A 81 -11.259 13.826 17.758 1.00 0.00 C ATOM 1227 CG GLU A 81 -12.093 15.098 17.598 1.00 0.00 C ATOM 1228 CD GLU A 81 -11.201 16.342 17.588 1.00 0.00 C ATOM 1229 OE1 GLU A 81 -10.736 16.697 16.484 1.00 0.00 O ATOM 1230 OE2 GLU A 81 -11.005 16.908 18.685 1.00 0.00 O ATOM 0 H GLU A 81 -11.807 13.417 15.375 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.654 14.680 16.646 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.909 12.952 17.711 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.785 13.819 18.740 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.664 15.048 16.671 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.814 15.169 18.413 1.00 0.00 H new ATOM 1237 N SER A 82 -9.649 11.388 16.828 1.00 0.00 N ATOM 1238 CA SER A 82 -8.806 10.233 17.089 1.00 0.00 C ATOM 1239 C SER A 82 -7.815 10.038 15.940 1.00 0.00 C ATOM 1240 O SER A 82 -6.812 9.342 16.092 1.00 0.00 O ATOM 1241 CB SER A 82 -9.647 8.970 17.286 1.00 0.00 C ATOM 1242 OG SER A 82 -10.602 9.122 18.332 1.00 0.00 O ATOM 0 H SER A 82 -10.598 11.165 16.527 1.00 0.00 H new ATOM 0 HA SER A 82 -8.252 10.415 18.010 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.163 8.729 16.356 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.991 8.130 17.513 1.00 0.00 H new ATOM 0 HG SER A 82 -11.120 8.295 18.425 1.00 0.00 H new ATOM 1248 N SER A 83 -8.131 10.664 14.816 1.00 0.00 N ATOM 1249 CA SER A 83 -7.282 10.568 13.641 1.00 0.00 C ATOM 1250 C SER A 83 -6.132 11.572 13.744 1.00 0.00 C ATOM 1251 O SER A 83 -6.314 12.681 14.243 1.00 0.00 O ATOM 1252 CB SER A 83 -8.083 10.808 12.360 1.00 0.00 C ATOM 1253 OG SER A 83 -9.265 10.014 12.314 1.00 0.00 O ATOM 0 H SER A 83 -8.964 11.240 14.694 1.00 0.00 H new ATOM 0 HA SER A 83 -6.873 9.559 13.597 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.351 11.862 12.292 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.460 10.581 11.495 1.00 0.00 H new ATOM 0 HG SER A 83 -9.826 10.217 13.092 1.00 0.00 H new ATOM 1259 N LEU A 84 -4.973 11.147 13.263 1.00 0.00 N ATOM 1260 CA LEU A 84 -3.793 11.995 13.294 1.00 0.00 C ATOM 1261 C LEU A 84 -3.039 11.862 11.969 1.00 0.00 C ATOM 1262 O LEU A 84 -3.453 11.109 11.088 1.00 0.00 O ATOM 1263 CB LEU A 84 -2.938 11.678 14.522 1.00 0.00 C ATOM 1264 CG LEU A 84 -2.669 10.196 14.789 1.00 0.00 C ATOM 1265 CD1 LEU A 84 -1.930 9.553 13.614 1.00 0.00 C ATOM 1266 CD2 LEU A 84 -1.923 10.003 16.110 1.00 0.00 C ATOM 0 H LEU A 84 -4.826 10.226 12.849 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.079 13.042 13.395 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.980 12.187 14.414 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.427 12.102 15.399 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.628 9.687 14.884 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.751 8.500 13.829 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.535 9.641 12.712 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.977 10.059 13.463 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.745 8.940 16.275 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.969 10.529 16.069 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.523 10.402 16.928 1.00 0.00 H new ATOM 1278 N TRP A 85 -1.946 12.604 11.870 1.00 0.00 N ATOM 1279 CA TRP A 85 -1.131 12.578 10.667 1.00 0.00 C ATOM 1280 C TRP A 85 0.267 13.080 11.033 1.00 0.00 C ATOM 1281 O TRP A 85 0.422 14.204 11.508 1.00 0.00 O ATOM 1282 CB TRP A 85 -1.783 13.389 9.545 1.00 0.00 C ATOM 1283 CG TRP A 85 -1.354 14.857 9.509 1.00 0.00 C ATOM 1284 CD1 TRP A 85 -1.820 15.872 10.250 1.00 0.00 C ATOM 1285 CD2 TRP A 85 -0.347 15.438 8.654 1.00 0.00 C ATOM 1286 NE1 TRP A 85 -1.191 17.059 9.936 1.00 0.00 N ATOM 1287 CE2 TRP A 85 -0.266 16.787 8.935 1.00 0.00 C ATOM 1288 CE3 TRP A 85 0.468 14.844 7.675 1.00 0.00 C ATOM 1289 CZ2 TRP A 85 0.617 17.654 8.281 1.00 0.00 C ATOM 1290 CZ3 TRP A 85 1.345 15.724 7.030 1.00 0.00 C ATOM 1291 CH2 TRP A 85 1.439 17.084 7.302 1.00 0.00 C ATOM 0 H TRP A 85 -1.606 13.227 12.603 1.00 0.00 H new ATOM 0 HA TRP A 85 -1.046 11.563 10.280 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -1.541 12.927 8.588 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -2.866 13.340 9.657 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -2.591 15.773 10.999 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.372 17.969 10.360 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.421 13.791 7.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.662 18.706 8.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 1.994 15.318 6.268 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.143 17.698 6.760 1.00 0.00 H new ATOM 1302 N SER A 86 1.249 12.222 10.798 1.00 0.00 N ATOM 1303 CA SER A 86 2.629 12.564 11.097 1.00 0.00 C ATOM 1304 C SER A 86 3.467 12.527 9.818 1.00 0.00 C ATOM 1305 O SER A 86 3.442 11.540 9.084 1.00 0.00 O ATOM 1306 CB SER A 86 3.217 11.616 12.144 1.00 0.00 C ATOM 1307 OG SER A 86 2.552 11.728 13.400 1.00 0.00 O ATOM 0 H SER A 86 1.116 11.291 10.404 1.00 0.00 H new ATOM 0 HA SER A 86 2.649 13.573 11.508 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.144 10.589 11.785 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.277 11.833 12.275 1.00 0.00 H new ATOM 0 HG SER A 86 2.956 11.106 14.040 1.00 0.00 H new ATOM 1313 N LEU A 87 4.188 13.615 9.589 1.00 0.00 N ATOM 1314 CA LEU A 87 5.032 13.719 8.410 1.00 0.00 C ATOM 1315 C LEU A 87 6.451 13.269 8.763 1.00 0.00 C ATOM 1316 O LEU A 87 6.926 13.512 9.871 1.00 0.00 O ATOM 1317 CB LEU A 87 4.962 15.131 7.824 1.00 0.00 C ATOM 1318 CG LEU A 87 6.036 15.483 6.794 1.00 0.00 C ATOM 1319 CD1 LEU A 87 7.375 15.774 7.475 1.00 0.00 C ATOM 1320 CD2 LEU A 87 6.160 14.387 5.733 1.00 0.00 C ATOM 0 H LEU A 87 4.205 14.432 10.199 1.00 0.00 H new ATOM 0 HA LEU A 87 4.673 13.055 7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.985 15.262 7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.024 15.847 8.644 1.00 0.00 H new ATOM 0 HG LEU A 87 5.730 16.395 6.281 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.121 16.021 6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.260 16.614 8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.699 14.894 8.031 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.931 14.663 5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.431 13.446 6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.207 14.270 5.217 1.00 0.00 H new ATOM 1332 N GLU A 88 7.089 12.622 7.799 1.00 0.00 N ATOM 1333 CA GLU A 88 8.444 12.136 7.993 1.00 0.00 C ATOM 1334 C GLU A 88 9.371 12.702 6.916 1.00 0.00 C ATOM 1335 O GLU A 88 9.019 12.723 5.738 1.00 0.00 O ATOM 1336 CB GLU A 88 8.483 10.606 8.001 1.00 0.00 C ATOM 1337 CG GLU A 88 8.124 10.056 9.383 1.00 0.00 C ATOM 1338 CD GLU A 88 9.265 9.208 9.948 1.00 0.00 C ATOM 1339 OE1 GLU A 88 10.429 9.549 9.646 1.00 0.00 O ATOM 1340 OE2 GLU A 88 8.948 8.237 10.669 1.00 0.00 O ATOM 0 H GLU A 88 6.692 12.423 6.881 1.00 0.00 H new ATOM 0 HA GLU A 88 8.796 12.481 8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.786 10.217 7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.477 10.262 7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.908 10.881 10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.218 9.454 9.315 1.00 0.00 H new ATOM 1347 N PRO A 89 10.569 13.159 7.370 1.00 0.00 N ATOM 1348 CA PRO A 89 11.549 13.724 6.458 1.00 0.00 C ATOM 1349 C PRO A 89 12.237 12.627 5.645 1.00 0.00 C ATOM 1350 O PRO A 89 12.851 11.723 6.209 1.00 0.00 O ATOM 1351 CB PRO A 89 12.511 14.498 7.345 1.00 0.00 C ATOM 1352 CG PRO A 89 12.307 13.959 8.752 1.00 0.00 C ATOM 1353 CD PRO A 89 11.020 13.150 8.759 1.00 0.00 C ATOM 0 HA PRO A 89 11.101 14.380 5.712 1.00 0.00 H new ATOM 0 HB2 PRO A 89 13.542 14.358 7.019 1.00 0.00 H new ATOM 0 HB3 PRO A 89 12.306 15.568 7.303 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.151 13.336 9.048 1.00 0.00 H new ATOM 0 HG3 PRO A 89 12.247 14.777 9.469 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.193 12.134 9.113 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.276 13.595 9.420 1.00 0.00 H new ATOM 1361 N GLY A 90 12.112 12.742 4.331 1.00 0.00 N ATOM 1362 CA GLY A 90 12.715 11.771 3.433 1.00 0.00 C ATOM 1363 C GLY A 90 12.201 10.360 3.727 1.00 0.00 C ATOM 1364 O GLY A 90 12.988 9.448 3.974 1.00 0.00 O ATOM 0 H GLY A 90 11.602 13.493 3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.489 12.036 2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.800 11.796 3.539 1.00 0.00 H new ATOM 1368 N LYS A 91 10.883 10.226 3.691 1.00 0.00 N ATOM 1369 CA LYS A 91 10.255 8.942 3.951 1.00 0.00 C ATOM 1370 C LYS A 91 8.860 8.925 3.323 1.00 0.00 C ATOM 1371 O LYS A 91 8.720 8.720 2.118 1.00 0.00 O ATOM 1372 CB LYS A 91 10.258 8.637 5.450 1.00 0.00 C ATOM 1373 CG LYS A 91 11.499 7.833 5.844 1.00 0.00 C ATOM 1374 CD LYS A 91 11.247 7.024 7.118 1.00 0.00 C ATOM 1375 CE LYS A 91 11.843 5.620 7.004 1.00 0.00 C ATOM 1376 NZ LYS A 91 11.377 4.767 8.120 1.00 0.00 N ATOM 0 H LYS A 91 10.233 10.985 3.486 1.00 0.00 H new ATOM 0 HA LYS A 91 10.825 8.138 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.230 9.569 6.014 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.360 8.078 5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.775 7.161 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.340 8.509 5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.684 7.540 7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.175 6.954 7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.556 5.173 6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.931 5.679 7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.791 3.817 8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.672 5.187 9.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.340 4.697 8.093 1.00 0.00 H new ATOM 1390 N CYS A 92 7.863 9.145 4.167 1.00 0.00 N ATOM 1391 CA CYS A 92 6.484 9.158 3.710 1.00 0.00 C ATOM 1392 C CYS A 92 5.624 9.810 4.795 1.00 0.00 C ATOM 1393 O CYS A 92 6.129 10.177 5.855 1.00 0.00 O ATOM 1394 CB CYS A 92 5.991 7.752 3.360 1.00 0.00 C ATOM 1395 SG CYS A 92 6.761 6.523 4.474 1.00 0.00 S ATOM 0 H CYS A 92 7.983 9.316 5.165 1.00 0.00 H new ATOM 0 HA CYS A 92 6.409 9.738 2.790 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.906 7.706 3.449 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.236 7.519 2.324 1.00 0.00 H new ATOM 0 HG CYS A 92 6.334 5.334 4.169 1.00 0.00 H new ATOM 1401 N VAL A 93 4.340 9.935 4.492 1.00 0.00 N ATOM 1402 CA VAL A 93 3.406 10.537 5.428 1.00 0.00 C ATOM 1403 C VAL A 93 2.558 9.439 6.072 1.00 0.00 C ATOM 1404 O VAL A 93 2.086 8.531 5.388 1.00 0.00 O ATOM 1405 CB VAL A 93 2.567 11.601 4.718 1.00 0.00 C ATOM 1406 CG1 VAL A 93 1.418 12.078 5.609 1.00 0.00 C ATOM 1407 CG2 VAL A 93 3.438 12.777 4.269 1.00 0.00 C ATOM 0 H VAL A 93 3.925 9.630 3.612 1.00 0.00 H new ATOM 0 HA VAL A 93 3.942 11.046 6.229 1.00 0.00 H new ATOM 0 HB VAL A 93 2.133 11.146 3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.837 12.834 5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.775 11.234 5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.822 12.507 6.526 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.817 13.519 3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.914 13.230 5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.204 12.420 3.581 1.00 0.00 H new ATOM 1417 N LEU A 94 2.389 9.557 7.381 1.00 0.00 N ATOM 1418 CA LEU A 94 1.606 8.585 8.125 1.00 0.00 C ATOM 1419 C LEU A 94 0.314 9.244 8.613 1.00 0.00 C ATOM 1420 O LEU A 94 0.344 10.343 9.165 1.00 0.00 O ATOM 1421 CB LEU A 94 2.443 7.968 9.247 1.00 0.00 C ATOM 1422 CG LEU A 94 1.930 6.644 9.817 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.748 6.875 10.760 1.00 0.00 C ATOM 1424 CD2 LEU A 94 1.586 5.662 8.696 1.00 0.00 C ATOM 0 H LEU A 94 2.781 10.311 7.945 1.00 0.00 H new ATOM 0 HA LEU A 94 1.318 7.755 7.481 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.455 7.812 8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.511 8.689 10.061 1.00 0.00 H new ATOM 0 HG LEU A 94 2.728 6.193 10.406 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.402 5.918 11.151 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.061 7.513 11.586 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.063 7.358 10.215 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.224 4.729 9.128 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.812 6.092 8.060 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.477 5.464 8.100 1.00 0.00 H new ATOM 1436 N VAL A 95 -0.789 8.545 8.393 1.00 0.00 N ATOM 1437 CA VAL A 95 -2.089 9.048 8.803 1.00 0.00 C ATOM 1438 C VAL A 95 -2.894 7.912 9.436 1.00 0.00 C ATOM 1439 O VAL A 95 -2.840 6.774 8.972 1.00 0.00 O ATOM 1440 CB VAL A 95 -2.800 9.694 7.612 1.00 0.00 C ATOM 1441 CG1 VAL A 95 -4.255 10.021 7.954 1.00 0.00 C ATOM 1442 CG2 VAL A 95 -2.054 10.942 7.139 1.00 0.00 C ATOM 0 H VAL A 95 -0.810 7.633 7.936 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.977 9.826 9.558 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.802 8.975 6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.738 10.479 7.091 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.781 9.104 8.220 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.284 10.713 8.796 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.581 11.381 6.292 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.006 11.667 7.952 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.043 10.669 6.836 1.00 0.00 H new ATOM 1452 N ASN A 96 -3.623 8.260 10.487 1.00 0.00 N ATOM 1453 CA ASN A 96 -4.439 7.283 11.189 1.00 0.00 C ATOM 1454 C ASN A 96 -5.909 7.698 11.104 1.00 0.00 C ATOM 1455 O ASN A 96 -6.302 8.721 11.662 1.00 0.00 O ATOM 1456 CB ASN A 96 -4.054 7.205 12.667 1.00 0.00 C ATOM 1457 CG ASN A 96 -2.822 6.320 12.868 1.00 0.00 C ATOM 1458 OD1 ASN A 96 -1.720 6.789 12.291 1.00 0.00 O flip ATOM 1459 ND2 ASN A 96 -2.870 5.280 13.504 1.00 0.00 N flip ATOM 0 H ASN A 96 -3.666 9.205 10.869 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.278 6.311 10.723 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.852 8.207 13.047 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.889 6.808 13.243 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -3.750 4.978 13.922 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.030 4.713 13.618 1.00 0.00 H new ATOM 1466 N LEU A 97 -6.681 6.882 10.402 1.00 0.00 N ATOM 1467 CA LEU A 97 -8.100 7.151 10.237 1.00 0.00 C ATOM 1468 C LEU A 97 -8.893 6.324 11.251 1.00 0.00 C ATOM 1469 O LEU A 97 -8.852 5.095 11.222 1.00 0.00 O ATOM 1470 CB LEU A 97 -8.524 6.917 8.786 1.00 0.00 C ATOM 1471 CG LEU A 97 -7.910 7.858 7.747 1.00 0.00 C ATOM 1472 CD1 LEU A 97 -8.828 8.007 6.532 1.00 0.00 C ATOM 1473 CD2 LEU A 97 -7.560 9.210 8.371 1.00 0.00 C ATOM 0 H LEU A 97 -6.351 6.034 9.941 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.316 8.199 10.443 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.269 5.893 8.515 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.609 7.002 8.727 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.978 7.416 7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.368 8.681 5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.983 7.031 6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.788 8.415 6.849 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.125 9.860 7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.463 9.672 8.770 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.841 9.063 9.177 1.00 0.00 H new ATOM 1485 N SER A 98 -9.595 7.031 12.123 1.00 0.00 N ATOM 1486 CA SER A 98 -10.397 6.378 13.144 1.00 0.00 C ATOM 1487 C SER A 98 -11.730 5.920 12.550 1.00 0.00 C ATOM 1488 O SER A 98 -12.309 6.609 11.711 1.00 0.00 O ATOM 1489 CB SER A 98 -10.637 7.308 14.335 1.00 0.00 C ATOM 1490 OG SER A 98 -10.444 6.643 15.580 1.00 0.00 O ATOM 0 H SER A 98 -9.625 8.050 12.144 1.00 0.00 H new ATOM 0 HA SER A 98 -9.849 5.507 13.503 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.961 8.161 14.271 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.652 7.702 14.288 1.00 0.00 H new ATOM 0 HG SER A 98 -11.215 6.808 16.162 1.00 0.00 H new ATOM 1496 N LYS A 99 -12.179 4.761 13.007 1.00 0.00 N ATOM 1497 CA LYS A 99 -13.434 4.204 12.531 1.00 0.00 C ATOM 1498 C LYS A 99 -14.594 4.851 13.289 1.00 0.00 C ATOM 1499 O LYS A 99 -14.525 5.027 14.505 1.00 0.00 O ATOM 1500 CB LYS A 99 -13.412 2.677 12.627 1.00 0.00 C ATOM 1501 CG LYS A 99 -12.895 2.053 11.329 1.00 0.00 C ATOM 1502 CD LYS A 99 -13.386 0.612 11.180 1.00 0.00 C ATOM 1503 CE LYS A 99 -12.819 -0.032 9.913 1.00 0.00 C ATOM 1504 NZ LYS A 99 -13.511 -1.309 9.626 1.00 0.00 N ATOM 0 H LYS A 99 -11.696 4.192 13.702 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.576 4.432 11.475 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.779 2.371 13.459 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.416 2.308 12.838 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.231 2.645 10.478 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.805 2.072 11.321 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.088 0.030 12.052 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.475 0.597 11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.934 0.648 9.069 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.751 -0.210 10.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.114 -1.733 8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.380 -1.962 10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.526 -1.130 9.488 1.00 0.00 H new ATOM 1518 N VAL A 100 -15.634 5.187 12.540 1.00 0.00 N ATOM 1519 CA VAL A 100 -16.808 5.811 13.126 1.00 0.00 C ATOM 1520 C VAL A 100 -18.028 4.921 12.883 1.00 0.00 C ATOM 1521 O VAL A 100 -18.659 4.999 11.830 1.00 0.00 O ATOM 1522 CB VAL A 100 -16.981 7.227 12.571 1.00 0.00 C ATOM 1523 CG1 VAL A 100 -18.426 7.704 12.727 1.00 0.00 C ATOM 1524 CG2 VAL A 100 -16.006 8.200 13.237 1.00 0.00 C ATOM 0 H VAL A 100 -15.688 5.039 11.532 1.00 0.00 H new ATOM 0 HA VAL A 100 -16.688 5.912 14.205 1.00 0.00 H new ATOM 0 HB VAL A 100 -16.751 7.200 11.506 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -18.522 8.713 12.325 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -19.091 7.032 12.184 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -18.696 7.707 13.783 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -16.150 9.199 12.825 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -16.190 8.221 14.311 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -14.983 7.874 13.050 1.00 0.00 H new ATOM 1534 N GLY A 101 -18.325 4.095 13.876 1.00 0.00 N ATOM 1535 CA GLY A 101 -19.459 3.190 13.783 1.00 0.00 C ATOM 1536 C GLY A 101 -19.071 1.897 13.064 1.00 0.00 C ATOM 1537 O GLY A 101 -17.923 1.731 12.652 1.00 0.00 O ATOM 0 H GLY A 101 -17.800 4.033 14.749 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -19.827 2.958 14.783 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -20.275 3.677 13.248 1.00 0.00 H new ATOM 1541 N GLU A 102 -20.049 1.013 12.935 1.00 0.00 N ATOM 1542 CA GLU A 102 -19.824 -0.261 12.273 1.00 0.00 C ATOM 1543 C GLU A 102 -19.989 -0.109 10.760 1.00 0.00 C ATOM 1544 O GLU A 102 -21.100 -0.194 10.240 1.00 0.00 O ATOM 1545 CB GLU A 102 -20.764 -1.337 12.821 1.00 0.00 C ATOM 1546 CG GLU A 102 -20.290 -1.835 14.188 1.00 0.00 C ATOM 1547 CD GLU A 102 -20.984 -3.146 14.565 1.00 0.00 C ATOM 1548 OE1 GLU A 102 -20.962 -4.064 13.717 1.00 0.00 O ATOM 1549 OE2 GLU A 102 -21.521 -3.199 15.693 1.00 0.00 O ATOM 0 H GLU A 102 -20.999 1.154 13.278 1.00 0.00 H new ATOM 0 HA GLU A 102 -18.802 -0.579 12.478 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -21.773 -0.934 12.907 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -20.813 -2.172 12.123 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -19.210 -1.983 14.171 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -20.496 -1.079 14.946 1.00 0.00 H new ATOM 1556 N TYR A 103 -18.865 0.114 10.094 1.00 0.00 N ATOM 1557 CA TYR A 103 -18.870 0.279 8.651 1.00 0.00 C ATOM 1558 C TYR A 103 -17.840 -0.640 7.990 1.00 0.00 C ATOM 1559 O TYR A 103 -16.866 -1.044 8.623 1.00 0.00 O ATOM 1560 CB TYR A 103 -18.477 1.735 8.391 1.00 0.00 C ATOM 1561 CG TYR A 103 -19.613 2.735 8.616 1.00 0.00 C ATOM 1562 CD1 TYR A 103 -19.866 3.218 9.884 1.00 0.00 C ATOM 1563 CD2 TYR A 103 -20.384 3.155 7.551 1.00 0.00 C ATOM 1564 CE1 TYR A 103 -20.935 4.159 10.096 1.00 0.00 C ATOM 1565 CE2 TYR A 103 -21.453 4.096 7.763 1.00 0.00 C ATOM 1566 CZ TYR A 103 -21.675 4.552 9.025 1.00 0.00 C ATOM 1567 OH TYR A 103 -22.685 5.441 9.225 1.00 0.00 O ATOM 0 H TYR A 103 -17.945 0.184 10.528 1.00 0.00 H new ATOM 0 HA TYR A 103 -19.849 0.030 8.240 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -17.642 1.997 9.041 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -18.123 1.827 7.364 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -19.262 2.890 10.717 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -20.185 2.778 6.559 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -21.144 4.544 11.083 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -22.065 4.432 6.939 1.00 0.00 H new ATOM 0 HH TYR A 103 -23.127 5.632 8.371 1.00 0.00 H new ATOM 1577 N TRP A 104 -18.091 -0.944 6.725 1.00 0.00 N ATOM 1578 CA TRP A 104 -17.198 -1.808 5.971 1.00 0.00 C ATOM 1579 C TRP A 104 -16.372 -0.928 5.031 1.00 0.00 C ATOM 1580 O TRP A 104 -16.870 -0.476 4.001 1.00 0.00 O ATOM 1581 CB TRP A 104 -17.981 -2.898 5.237 1.00 0.00 C ATOM 1582 CG TRP A 104 -18.869 -2.373 4.108 1.00 0.00 C ATOM 1583 CD1 TRP A 104 -18.640 -2.419 2.788 1.00 0.00 C ATOM 1584 CD2 TRP A 104 -20.147 -1.717 4.253 1.00 0.00 C ATOM 1585 NE1 TRP A 104 -19.672 -1.842 2.075 1.00 0.00 N ATOM 1586 CE2 TRP A 104 -20.617 -1.403 2.995 1.00 0.00 C ATOM 1587 CE3 TRP A 104 -20.881 -1.401 5.410 1.00 0.00 C ATOM 1588 CZ2 TRP A 104 -21.839 -0.755 2.772 1.00 0.00 C ATOM 1589 CZ3 TRP A 104 -22.099 -0.754 5.171 1.00 0.00 C ATOM 1590 CH2 TRP A 104 -22.587 -0.430 3.910 1.00 0.00 C ATOM 0 H TRP A 104 -18.900 -0.607 6.203 1.00 0.00 H new ATOM 0 HA TRP A 104 -16.518 -2.338 6.638 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -17.277 -3.622 4.825 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -18.603 -3.431 5.956 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -17.759 -2.853 2.339 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -19.730 -1.754 1.060 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -20.533 -1.639 6.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -22.185 -0.519 1.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -22.702 -0.488 6.026 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -23.539 0.070 3.809 1.00 0.00 H new ATOM 1601 N TRP A 105 -15.124 -0.712 5.419 1.00 0.00 N ATOM 1602 CA TRP A 105 -14.223 0.105 4.623 1.00 0.00 C ATOM 1603 C TRP A 105 -13.676 -0.763 3.487 1.00 0.00 C ATOM 1604 O TRP A 105 -12.608 -1.359 3.616 1.00 0.00 O ATOM 1605 CB TRP A 105 -13.122 0.714 5.493 1.00 0.00 C ATOM 1606 CG TRP A 105 -13.578 1.918 6.321 1.00 0.00 C ATOM 1607 CD1 TRP A 105 -14.362 1.922 7.407 1.00 0.00 C ATOM 1608 CD2 TRP A 105 -13.243 3.301 6.084 1.00 0.00 C ATOM 1609 NE1 TRP A 105 -14.556 3.202 7.886 1.00 0.00 N ATOM 1610 CE2 TRP A 105 -13.854 4.067 7.055 1.00 0.00 C ATOM 1611 CE3 TRP A 105 -12.449 3.886 5.081 1.00 0.00 C ATOM 1612 CZ2 TRP A 105 -13.735 5.461 7.120 1.00 0.00 C ATOM 1613 CZ3 TRP A 105 -12.341 5.280 5.159 1.00 0.00 C ATOM 1614 CH2 TRP A 105 -12.950 6.065 6.131 1.00 0.00 C ATOM 0 H TRP A 105 -14.715 -1.088 6.274 1.00 0.00 H new ATOM 0 HA TRP A 105 -14.753 0.953 4.189 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -12.739 -0.053 6.166 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -12.294 1.019 4.853 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -14.789 1.035 7.852 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -15.112 3.465 8.700 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -11.961 3.306 4.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -14.223 6.039 7.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -11.743 5.780 4.412 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -12.818 7.137 6.123 1.00 0.00 H new ATOM 1625 N ASN A 106 -14.433 -0.805 2.401 1.00 0.00 N ATOM 1626 CA ASN A 106 -14.038 -1.590 1.244 1.00 0.00 C ATOM 1627 C ASN A 106 -13.220 -0.713 0.293 1.00 0.00 C ATOM 1628 O ASN A 106 -12.863 -1.143 -0.802 1.00 0.00 O ATOM 1629 CB ASN A 106 -15.261 -2.101 0.480 1.00 0.00 C ATOM 1630 CG ASN A 106 -16.287 -0.984 0.277 1.00 0.00 C ATOM 1631 OD1 ASN A 106 -16.045 0.177 0.565 1.00 0.00 O ATOM 1632 ND2 ASN A 106 -17.443 -1.398 -0.233 1.00 0.00 N ATOM 0 H ASN A 106 -15.318 -0.308 2.298 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.453 -2.439 1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.951 -2.495 -0.488 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.719 -2.925 1.028 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.193 -0.729 -0.406 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -17.580 -2.385 -0.452 1.00 0.00 H new ATOM 1639 N ALA A 107 -12.948 0.502 0.747 1.00 0.00 N ATOM 1640 CA ALA A 107 -12.179 1.444 -0.049 1.00 0.00 C ATOM 1641 C ALA A 107 -12.079 2.774 0.699 1.00 0.00 C ATOM 1642 O ALA A 107 -13.077 3.280 1.211 1.00 0.00 O ATOM 1643 CB ALA A 107 -12.828 1.597 -1.426 1.00 0.00 C ATOM 0 H ALA A 107 -13.246 0.856 1.656 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.165 1.077 -0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.252 2.303 -2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.849 0.630 -1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.847 1.967 -1.309 1.00 0.00 H new ATOM 1649 N ILE A 108 -10.865 3.304 0.740 1.00 0.00 N ATOM 1650 CA ILE A 108 -10.621 4.566 1.417 1.00 0.00 C ATOM 1651 C ILE A 108 -11.523 5.645 0.816 1.00 0.00 C ATOM 1652 O ILE A 108 -12.234 6.340 1.540 1.00 0.00 O ATOM 1653 CB ILE A 108 -9.132 4.916 1.377 1.00 0.00 C ATOM 1654 CG1 ILE A 108 -8.306 3.889 2.153 1.00 0.00 C ATOM 1655 CG2 ILE A 108 -8.891 6.342 1.877 1.00 0.00 C ATOM 1656 CD1 ILE A 108 -8.284 4.218 3.647 1.00 0.00 C ATOM 0 H ILE A 108 -10.039 2.882 0.315 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.878 4.488 2.473 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.800 4.878 0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.723 2.893 2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.287 3.870 1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.825 6.566 1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.433 7.046 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.244 6.432 2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.690 3.472 4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.844 5.204 3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.302 4.212 4.036 1.00 0.00 H new ATOM 1668 N LEU A 109 -11.466 5.751 -0.504 1.00 0.00 N ATOM 1669 CA LEU A 109 -12.269 6.734 -1.211 1.00 0.00 C ATOM 1670 C LEU A 109 -13.427 6.027 -1.918 1.00 0.00 C ATOM 1671 O LEU A 109 -13.431 4.802 -2.037 1.00 0.00 O ATOM 1672 CB LEU A 109 -11.393 7.568 -2.148 1.00 0.00 C ATOM 1673 CG LEU A 109 -10.187 8.255 -1.505 1.00 0.00 C ATOM 1674 CD1 LEU A 109 -9.367 9.014 -2.549 1.00 0.00 C ATOM 1675 CD2 LEU A 109 -10.622 9.159 -0.350 1.00 0.00 C ATOM 0 H LEU A 109 -10.876 5.172 -1.102 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.709 7.443 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.033 6.921 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -12.017 8.332 -2.612 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.540 7.485 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.516 9.493 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.009 8.317 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.991 9.773 -3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.745 9.635 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.302 9.925 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.129 8.562 0.408 1.00 0.00 H new ATOM 1687 N GLU A 110 -14.380 6.828 -2.370 1.00 0.00 N ATOM 1688 CA GLU A 110 -15.541 6.294 -3.063 1.00 0.00 C ATOM 1689 C GLU A 110 -15.191 5.977 -4.518 1.00 0.00 C ATOM 1690 O GLU A 110 -14.254 6.548 -5.073 1.00 0.00 O ATOM 1691 CB GLU A 110 -16.722 7.263 -2.981 1.00 0.00 C ATOM 1692 CG GLU A 110 -17.842 6.690 -2.111 1.00 0.00 C ATOM 1693 CD GLU A 110 -19.164 6.643 -2.880 1.00 0.00 C ATOM 1694 OE1 GLU A 110 -19.565 7.714 -3.385 1.00 0.00 O ATOM 1695 OE2 GLU A 110 -19.744 5.538 -2.945 1.00 0.00 O ATOM 0 H GLU A 110 -14.373 7.843 -2.270 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.839 5.368 -2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -16.388 8.215 -2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -17.102 7.465 -3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -17.573 5.687 -1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -17.960 7.300 -1.215 1.00 0.00 H new