USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 586 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 66 SER OG : rot 180:sc= 0.0114 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= -0.0499 USER MOD Single : A 19 THR OG1 : rot -20:sc= 0.327 USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00575) USER MOD Single : A 25 ASN : amide:sc= -2.08! K(o=-2.1!,f=-0.76) USER MOD Single : A 26 ASN : amide:sc= -0.0321 X(o=-0.032,f=-0.29) USER MOD Single : A 27 TYR OH : rot 30:sc= -0.263 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= -0.0147 (180deg=-0.126) USER MOD Single : A 40 ASN : amide:sc= -0.591 K(o=-0.59,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -172:sc=-0.00109 (180deg=-0.0877) USER MOD Single : A 47 THR OG1 : rot 166:sc= 0.205 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00186 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.054) USER MOD Single : A 73 ASN : amide:sc= -0.152 K(o=-0.15,f=-3.5) USER MOD Single : A 76 THR OG1 : rot 80:sc= 0.515 USER MOD Single : A 78 GLN : amide:sc= -1.78! K(o=-1.8!,f=-0.89) USER MOD Single : A 79 GLN : amide:sc= -0.664 K(o=-0.66,f=0) USER MOD Single : A 87 ASN : amide:sc= 0.171 X(o=0.17,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 245 N ARG A 16 3.568 12.220 5.896 1.00 0.00 N ATOM 246 CA ARG A 16 3.322 13.071 4.719 1.00 0.00 C ATOM 247 C ARG A 16 2.180 12.473 3.889 1.00 0.00 C ATOM 248 O ARG A 16 2.242 11.293 3.539 1.00 0.00 O ATOM 249 CB ARG A 16 4.618 13.193 3.868 1.00 0.00 C ATOM 250 CG ARG A 16 4.476 14.076 2.611 1.00 0.00 C ATOM 251 CD ARG A 16 5.781 14.150 1.792 1.00 0.00 C ATOM 252 NE ARG A 16 6.233 12.822 1.324 1.00 0.00 N ATOM 253 CZ ARG A 16 7.516 12.399 1.282 1.00 0.00 C ATOM 254 NH1 ARG A 16 8.518 13.186 1.688 1.00 0.00 N ATOM 255 NH2 ARG A 16 7.781 11.177 0.845 1.00 0.00 N ATOM 0 HA ARG A 16 3.035 14.071 5.045 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.412 13.599 4.494 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.932 12.195 3.562 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.678 13.682 1.982 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.180 15.082 2.909 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.630 14.802 0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.563 14.602 2.401 1.00 0.00 H new ATOM 0 HE ARG A 16 5.516 12.170 1.006 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.321 14.124 2.037 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.480 12.848 1.649 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.021 10.567 0.545 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.745 10.846 0.809 1.00 0.00 H new ATOM 269 N GLU A 17 1.135 13.268 3.568 1.00 0.00 N ATOM 270 CA GLU A 17 0.043 12.784 2.712 1.00 0.00 C ATOM 271 C GLU A 17 0.551 12.722 1.264 1.00 0.00 C ATOM 272 O GLU A 17 1.125 13.691 0.756 1.00 0.00 O ATOM 273 CB GLU A 17 -1.219 13.673 2.796 1.00 0.00 C ATOM 274 CG GLU A 17 -2.404 13.138 1.966 1.00 0.00 C ATOM 275 CD GLU A 17 -3.610 14.083 1.960 1.00 0.00 C ATOM 276 OE1 GLU A 17 -3.562 15.104 1.233 1.00 0.00 O ATOM 277 OE2 GLU A 17 -4.586 13.843 2.704 1.00 0.00 O ATOM 0 H GLU A 17 1.030 14.232 3.886 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.252 11.795 3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.525 13.758 3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.970 14.677 2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.075 12.972 0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.710 12.170 2.363 1.00 0.00 H new ATOM 284 N ILE A 18 0.357 11.576 0.618 1.00 0.00 N ATOM 285 CA ILE A 18 0.864 11.309 -0.732 1.00 0.00 C ATOM 286 C ILE A 18 -0.269 10.777 -1.611 1.00 0.00 C ATOM 287 O ILE A 18 -1.355 10.476 -1.107 1.00 0.00 O ATOM 288 CB ILE A 18 2.044 10.278 -0.694 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.574 8.861 -0.219 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.196 10.806 0.197 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.597 7.764 -0.457 1.00 0.00 C ATOM 0 H ILE A 18 -0.162 10.795 1.019 1.00 0.00 H new ATOM 0 HA ILE A 18 1.242 12.242 -1.151 1.00 0.00 H new ATOM 0 HB ILE A 18 2.413 10.166 -1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.342 8.903 0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.650 8.602 -0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.007 10.078 0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.563 11.750 -0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.829 10.962 1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.200 6.813 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.812 7.692 -1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.514 7.998 0.084 1.00 0.00 H new ATOM 303 N THR A 19 -0.020 10.667 -2.920 1.00 0.00 N ATOM 304 CA THR A 19 -0.991 10.111 -3.863 1.00 0.00 C ATOM 305 C THR A 19 -0.747 8.598 -4.004 1.00 0.00 C ATOM 306 O THR A 19 0.379 8.126 -3.768 1.00 0.00 O ATOM 307 CB THR A 19 -0.868 10.811 -5.253 1.00 0.00 C ATOM 308 OG1 THR A 19 0.429 10.560 -5.833 1.00 0.00 O ATOM 309 CG2 THR A 19 -1.090 12.334 -5.146 1.00 0.00 C ATOM 0 H THR A 19 0.856 10.960 -3.352 1.00 0.00 H new ATOM 0 HA THR A 19 -1.999 10.284 -3.485 1.00 0.00 H new ATOM 0 HB THR A 19 -1.644 10.392 -5.893 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.054 10.285 -5.130 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.996 12.786 -6.134 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.087 12.530 -4.751 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.344 12.764 -4.478 1.00 0.00 H new ATOM 317 N TRP A 20 -1.810 7.848 -4.357 1.00 0.00 N ATOM 318 CA TRP A 20 -1.724 6.401 -4.637 1.00 0.00 C ATOM 319 C TRP A 20 -0.640 6.111 -5.699 1.00 0.00 C ATOM 320 O TRP A 20 0.193 5.241 -5.493 1.00 0.00 O ATOM 321 CB TRP A 20 -3.110 5.855 -5.083 1.00 0.00 C ATOM 322 CG TRP A 20 -3.142 4.401 -5.529 1.00 0.00 C ATOM 323 CD1 TRP A 20 -3.377 3.945 -6.795 1.00 0.00 C ATOM 324 CD2 TRP A 20 -2.964 3.227 -4.719 1.00 0.00 C ATOM 325 NE1 TRP A 20 -3.349 2.583 -6.822 1.00 0.00 N ATOM 326 CE2 TRP A 20 -3.097 2.116 -5.567 1.00 0.00 C ATOM 327 CE3 TRP A 20 -2.700 3.010 -3.369 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -2.980 0.809 -5.108 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -2.583 1.713 -2.913 1.00 0.00 C ATOM 330 CH2 TRP A 20 -2.726 0.626 -3.780 1.00 0.00 C ATOM 0 H TRP A 20 -2.751 8.228 -4.456 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.435 5.886 -3.721 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.809 5.976 -4.256 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.476 6.474 -5.902 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.559 4.575 -7.653 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -3.494 2.005 -7.650 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -2.589 3.843 -2.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.086 -0.031 -5.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -2.377 1.535 -1.868 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.634 -0.377 -3.391 1.00 0.00 H new ATOM 341 N LYS A 21 -0.642 6.897 -6.798 1.00 0.00 N ATOM 342 CA LYS A 21 0.293 6.729 -7.932 1.00 0.00 C ATOM 343 C LYS A 21 1.771 6.747 -7.486 1.00 0.00 C ATOM 344 O LYS A 21 2.545 5.833 -7.837 1.00 0.00 O ATOM 345 CB LYS A 21 0.051 7.820 -9.015 1.00 0.00 C ATOM 346 CG LYS A 21 1.031 7.762 -10.213 1.00 0.00 C ATOM 347 CD LYS A 21 0.805 8.896 -11.238 1.00 0.00 C ATOM 348 CE LYS A 21 1.835 8.891 -12.384 1.00 0.00 C ATOM 349 NZ LYS A 21 1.790 7.640 -13.194 1.00 0.00 N ATOM 0 H LYS A 21 -1.296 7.670 -6.924 1.00 0.00 H new ATOM 0 HA LYS A 21 0.091 5.747 -8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.968 7.723 -9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.126 8.802 -8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.054 7.816 -9.841 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.925 6.800 -10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.197 8.804 -11.658 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.848 9.856 -10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.653 9.747 -13.034 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.835 9.014 -11.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.479 7.704 -13.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.024 6.827 -12.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.835 7.515 -13.588 1.00 0.00 H new ATOM 363 N ASP A 22 2.160 7.778 -6.702 1.00 0.00 N ATOM 364 CA ASP A 22 3.567 7.942 -6.273 1.00 0.00 C ATOM 365 C ASP A 22 3.934 6.866 -5.249 1.00 0.00 C ATOM 366 O ASP A 22 5.066 6.389 -5.243 1.00 0.00 O ATOM 367 CB ASP A 22 3.872 9.390 -5.769 1.00 0.00 C ATOM 368 CG ASP A 22 3.711 9.628 -4.264 1.00 0.00 C ATOM 369 OD1 ASP A 22 4.641 9.323 -3.491 1.00 0.00 O ATOM 370 OD2 ASP A 22 2.666 10.152 -3.856 1.00 0.00 O ATOM 0 H ASP A 22 1.528 8.501 -6.357 1.00 0.00 H new ATOM 0 HA ASP A 22 4.207 7.803 -7.144 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.895 9.642 -6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.217 10.082 -6.298 1.00 0.00 H new ATOM 375 N PHE A 23 2.956 6.468 -4.410 1.00 0.00 N ATOM 376 CA PHE A 23 3.112 5.332 -3.487 1.00 0.00 C ATOM 377 C PHE A 23 3.542 4.072 -4.253 1.00 0.00 C ATOM 378 O PHE A 23 4.438 3.348 -3.815 1.00 0.00 O ATOM 379 CB PHE A 23 1.791 5.047 -2.709 1.00 0.00 C ATOM 380 CG PHE A 23 1.796 3.695 -1.967 1.00 0.00 C ATOM 381 CD1 PHE A 23 2.647 3.479 -0.882 1.00 0.00 C ATOM 382 CD2 PHE A 23 0.998 2.629 -2.400 1.00 0.00 C ATOM 383 CE1 PHE A 23 2.700 2.253 -0.258 1.00 0.00 C ATOM 384 CE2 PHE A 23 1.045 1.405 -1.764 1.00 0.00 C ATOM 385 CZ PHE A 23 1.901 1.218 -0.701 1.00 0.00 C ATOM 0 H PHE A 23 2.044 6.922 -4.355 1.00 0.00 H new ATOM 0 HA PHE A 23 3.886 5.598 -2.767 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.622 5.848 -1.989 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.955 5.066 -3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.273 4.285 -0.527 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.337 2.766 -3.243 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.367 2.101 0.578 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.412 0.596 -2.099 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.947 0.256 -0.211 1.00 0.00 H new ATOM 395 N VAL A 24 2.873 3.823 -5.384 1.00 0.00 N ATOM 396 CA VAL A 24 3.137 2.661 -6.225 1.00 0.00 C ATOM 397 C VAL A 24 4.599 2.639 -6.690 1.00 0.00 C ATOM 398 O VAL A 24 5.361 1.768 -6.283 1.00 0.00 O ATOM 399 CB VAL A 24 2.189 2.634 -7.472 1.00 0.00 C ATOM 400 CG1 VAL A 24 2.494 1.443 -8.393 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.713 2.642 -7.041 1.00 0.00 C ATOM 0 H VAL A 24 2.131 4.427 -5.739 1.00 0.00 H new ATOM 0 HA VAL A 24 2.944 1.775 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 24 2.377 3.541 -8.046 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.816 1.460 -9.246 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.523 1.511 -8.746 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.360 0.513 -7.841 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.076 2.623 -7.925 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.508 1.765 -6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.507 3.544 -6.465 1.00 0.00 H new ATOM 411 N ASN A 25 4.991 3.646 -7.483 1.00 0.00 N ATOM 412 CA ASN A 25 6.261 3.588 -8.234 1.00 0.00 C ATOM 413 C ASN A 25 7.478 3.819 -7.319 1.00 0.00 C ATOM 414 O ASN A 25 8.546 3.231 -7.541 1.00 0.00 O ATOM 415 CB ASN A 25 6.253 4.577 -9.432 1.00 0.00 C ATOM 416 CG ASN A 25 6.230 6.059 -9.036 1.00 0.00 C ATOM 417 OD1 ASN A 25 7.271 6.686 -8.869 1.00 0.00 O ATOM 418 ND2 ASN A 25 5.044 6.620 -8.901 1.00 0.00 N ATOM 0 H ASN A 25 4.456 4.503 -7.623 1.00 0.00 H new ATOM 0 HA ASN A 25 6.353 2.580 -8.639 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.135 4.392 -10.045 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.383 4.367 -10.054 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.972 7.606 -8.650 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.199 6.068 -9.048 1.00 0.00 H new ATOM 425 N ASN A 26 7.320 4.662 -6.280 1.00 0.00 N ATOM 426 CA ASN A 26 8.413 4.995 -5.345 1.00 0.00 C ATOM 427 C ASN A 26 8.602 3.901 -4.283 1.00 0.00 C ATOM 428 O ASN A 26 9.728 3.552 -3.938 1.00 0.00 O ATOM 429 CB ASN A 26 8.119 6.344 -4.623 1.00 0.00 C ATOM 430 CG ASN A 26 8.052 7.553 -5.563 1.00 0.00 C ATOM 431 OD1 ASN A 26 8.780 7.634 -6.547 1.00 0.00 O ATOM 432 ND2 ASN A 26 7.164 8.496 -5.270 1.00 0.00 N ATOM 0 H ASN A 26 6.438 5.128 -6.066 1.00 0.00 H new ATOM 0 HA ASN A 26 9.326 5.076 -5.935 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.173 6.259 -4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.893 6.520 -3.876 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.074 9.316 -5.870 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.572 8.401 -4.445 1.00 0.00 H new ATOM 439 N TYR A 27 7.490 3.362 -3.755 1.00 0.00 N ATOM 440 CA TYR A 27 7.517 2.587 -2.500 1.00 0.00 C ATOM 441 C TYR A 27 7.176 1.105 -2.715 1.00 0.00 C ATOM 442 O TYR A 27 8.029 0.235 -2.488 1.00 0.00 O ATOM 443 CB TYR A 27 6.557 3.228 -1.463 1.00 0.00 C ATOM 444 CG TYR A 27 6.935 4.646 -1.017 1.00 0.00 C ATOM 445 CD1 TYR A 27 8.269 4.995 -0.774 1.00 0.00 C ATOM 446 CD2 TYR A 27 5.963 5.620 -0.794 1.00 0.00 C ATOM 447 CE1 TYR A 27 8.610 6.252 -0.330 1.00 0.00 C ATOM 448 CE2 TYR A 27 6.309 6.884 -0.357 1.00 0.00 C ATOM 449 CZ TYR A 27 7.634 7.192 -0.125 1.00 0.00 C ATOM 450 OH TYR A 27 7.983 8.440 0.342 1.00 0.00 O ATOM 0 H TYR A 27 6.564 3.447 -4.175 1.00 0.00 H new ATOM 0 HA TYR A 27 8.537 2.618 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.553 3.253 -1.887 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.516 2.586 -0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.046 4.263 -0.938 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.923 5.383 -0.966 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.645 6.497 -0.143 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.544 7.630 -0.197 1.00 0.00 H new ATOM 0 HH TYR A 27 8.887 8.663 0.035 1.00 0.00 H new ATOM 460 N LEU A 28 5.924 0.838 -3.133 1.00 0.00 N ATOM 461 CA LEU A 28 5.392 -0.533 -3.276 1.00 0.00 C ATOM 462 C LEU A 28 6.206 -1.354 -4.307 1.00 0.00 C ATOM 463 O LEU A 28 6.587 -2.501 -4.045 1.00 0.00 O ATOM 464 CB LEU A 28 3.898 -0.473 -3.683 1.00 0.00 C ATOM 465 CG LEU A 28 3.144 -1.845 -3.745 1.00 0.00 C ATOM 466 CD1 LEU A 28 3.048 -2.517 -2.356 1.00 0.00 C ATOM 467 CD2 LEU A 28 1.750 -1.672 -4.369 1.00 0.00 C ATOM 0 H LEU A 28 5.253 1.565 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 28 5.483 -1.038 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.376 0.174 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.828 0.001 -4.662 1.00 0.00 H new ATOM 0 HG LEU A 28 3.728 -2.508 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.518 -3.465 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.051 -2.698 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.508 -1.863 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.244 -2.637 -4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.166 -0.976 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.851 -1.280 -5.381 1.00 0.00 H new ATOM 479 N SER A 29 6.491 -0.726 -5.459 1.00 0.00 N ATOM 480 CA SER A 29 7.249 -1.329 -6.568 1.00 0.00 C ATOM 481 C SER A 29 8.748 -1.465 -6.232 1.00 0.00 C ATOM 482 O SER A 29 9.473 -2.178 -6.922 1.00 0.00 O ATOM 483 CB SER A 29 7.032 -0.480 -7.844 1.00 0.00 C ATOM 484 OG SER A 29 7.609 -1.080 -8.992 1.00 0.00 O ATOM 0 H SER A 29 6.196 0.232 -5.649 1.00 0.00 H new ATOM 0 HA SER A 29 6.880 -2.340 -6.739 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.963 -0.340 -8.008 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.464 0.510 -7.697 1.00 0.00 H new ATOM 0 HG SER A 29 7.447 -0.512 -9.774 1.00 0.00 H new ATOM 490 N LYS A 30 9.214 -0.781 -5.166 1.00 0.00 N ATOM 491 CA LYS A 30 10.599 -0.926 -4.664 1.00 0.00 C ATOM 492 C LYS A 30 10.645 -1.825 -3.413 1.00 0.00 C ATOM 493 O LYS A 30 11.736 -2.098 -2.897 1.00 0.00 O ATOM 494 CB LYS A 30 11.229 0.456 -4.352 1.00 0.00 C ATOM 495 CG LYS A 30 11.436 1.372 -5.572 1.00 0.00 C ATOM 496 CD LYS A 30 12.277 0.708 -6.683 1.00 0.00 C ATOM 497 CE LYS A 30 12.578 1.664 -7.843 1.00 0.00 C ATOM 498 NZ LYS A 30 11.349 2.288 -8.387 1.00 0.00 N ATOM 0 H LYS A 30 8.649 -0.120 -4.633 1.00 0.00 H new ATOM 0 HA LYS A 30 11.183 -1.401 -5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.594 0.973 -3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.193 0.297 -3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.464 1.654 -5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.927 2.291 -5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.215 0.350 -6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.746 -0.164 -7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.259 2.444 -7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.089 1.120 -8.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.579 2.804 -9.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.648 1.549 -8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.957 2.950 -7.687 1.00 0.00 H new ATOM 512 N GLY A 31 9.459 -2.284 -2.959 1.00 0.00 N ATOM 513 CA GLY A 31 9.316 -3.127 -1.759 1.00 0.00 C ATOM 514 C GLY A 31 9.905 -2.538 -0.472 1.00 0.00 C ATOM 515 O GLY A 31 10.168 -3.274 0.481 1.00 0.00 O ATOM 0 H GLY A 31 8.572 -2.078 -3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.256 -3.324 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.793 -4.088 -1.951 1.00 0.00 H new ATOM 519 N VAL A 32 10.059 -1.195 -0.427 1.00 0.00 N ATOM 520 CA VAL A 32 10.680 -0.486 0.728 1.00 0.00 C ATOM 521 C VAL A 32 9.696 -0.359 1.907 1.00 0.00 C ATOM 522 O VAL A 32 10.050 0.135 2.985 1.00 0.00 O ATOM 523 CB VAL A 32 11.192 0.935 0.320 1.00 0.00 C ATOM 524 CG1 VAL A 32 12.189 0.849 -0.851 1.00 0.00 C ATOM 525 CG2 VAL A 32 10.022 1.880 -0.006 1.00 0.00 C ATOM 0 H VAL A 32 9.762 -0.573 -1.179 1.00 0.00 H new ATOM 0 HA VAL A 32 11.531 -1.089 1.044 1.00 0.00 H new ATOM 0 HB VAL A 32 11.721 1.356 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.529 1.851 -1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.045 0.241 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.700 0.394 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.412 2.859 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.443 1.470 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.381 1.981 0.870 1.00 0.00 H new ATOM 535 N VAL A 33 8.464 -0.825 1.670 1.00 0.00 N ATOM 536 CA VAL A 33 7.362 -0.752 2.621 1.00 0.00 C ATOM 537 C VAL A 33 7.320 -2.052 3.419 1.00 0.00 C ATOM 538 O VAL A 33 7.312 -3.135 2.829 1.00 0.00 O ATOM 539 CB VAL A 33 5.995 -0.546 1.878 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.819 -0.440 2.863 1.00 0.00 C ATOM 541 CG2 VAL A 33 6.050 0.682 0.960 1.00 0.00 C ATOM 0 H VAL A 33 8.206 -1.272 0.790 1.00 0.00 H new ATOM 0 HA VAL A 33 7.519 0.098 3.286 1.00 0.00 H new ATOM 0 HB VAL A 33 5.825 -1.429 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.891 -0.298 2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.754 -1.355 3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.977 0.409 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.091 0.803 0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.263 1.571 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.835 0.546 0.217 1.00 0.00 H new ATOM 551 N ASP A 34 7.262 -1.932 4.746 1.00 0.00 N ATOM 552 CA ASP A 34 7.226 -3.075 5.661 1.00 0.00 C ATOM 553 C ASP A 34 5.804 -3.640 5.746 1.00 0.00 C ATOM 554 O ASP A 34 5.602 -4.851 5.641 1.00 0.00 O ATOM 555 CB ASP A 34 7.713 -2.634 7.061 1.00 0.00 C ATOM 556 CG ASP A 34 7.647 -3.745 8.116 1.00 0.00 C ATOM 557 OD1 ASP A 34 8.514 -4.640 8.102 1.00 0.00 O ATOM 558 OD2 ASP A 34 6.728 -3.739 8.952 1.00 0.00 O ATOM 0 H ASP A 34 7.238 -1.030 5.221 1.00 0.00 H new ATOM 0 HA ASP A 34 7.886 -3.857 5.284 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.741 -2.280 6.983 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.110 -1.790 7.397 1.00 0.00 H new ATOM 563 N ARG A 35 4.824 -2.738 5.927 1.00 0.00 N ATOM 564 CA ARG A 35 3.405 -3.122 6.066 1.00 0.00 C ATOM 565 C ARG A 35 2.499 -1.921 5.747 1.00 0.00 C ATOM 566 O ARG A 35 2.927 -0.758 5.824 1.00 0.00 O ATOM 567 CB ARG A 35 3.119 -3.698 7.496 1.00 0.00 C ATOM 568 CG ARG A 35 2.812 -2.645 8.586 1.00 0.00 C ATOM 569 CD ARG A 35 2.870 -3.209 10.021 1.00 0.00 C ATOM 570 NE ARG A 35 4.261 -3.403 10.467 1.00 0.00 N ATOM 571 CZ ARG A 35 4.865 -2.718 11.456 1.00 0.00 C ATOM 572 NH1 ARG A 35 4.206 -1.783 12.138 1.00 0.00 N ATOM 573 NH2 ARG A 35 6.138 -2.960 11.732 1.00 0.00 N ATOM 0 H ARG A 35 4.988 -1.733 5.981 1.00 0.00 H new ATOM 0 HA ARG A 35 3.183 -3.913 5.349 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.275 -4.385 7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.982 -4.283 7.813 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.524 -1.824 8.498 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.821 -2.228 8.408 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.360 -2.528 10.702 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.337 -4.159 10.062 1.00 0.00 H new ATOM 0 HE ARG A 35 4.811 -4.115 9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.232 -1.579 11.913 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.675 -1.271 12.885 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.652 -3.660 11.197 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.604 -2.446 12.480 1.00 0.00 H new ATOM 587 N LEU A 36 1.241 -2.220 5.386 1.00 0.00 N ATOM 588 CA LEU A 36 0.224 -1.210 5.050 1.00 0.00 C ATOM 589 C LEU A 36 -0.895 -1.266 6.091 1.00 0.00 C ATOM 590 O LEU A 36 -1.748 -2.153 6.049 1.00 0.00 O ATOM 591 CB LEU A 36 -0.320 -1.471 3.612 1.00 0.00 C ATOM 592 CG LEU A 36 0.708 -1.235 2.469 1.00 0.00 C ATOM 593 CD1 LEU A 36 0.111 -1.576 1.082 1.00 0.00 C ATOM 594 CD2 LEU A 36 1.246 0.212 2.519 1.00 0.00 C ATOM 0 H LEU A 36 0.898 -3.178 5.318 1.00 0.00 H new ATOM 0 HA LEU A 36 0.661 -0.212 5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.675 -2.500 3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.183 -0.827 3.443 1.00 0.00 H new ATOM 0 HG LEU A 36 1.547 -1.914 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.860 -1.398 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.189 -2.624 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.759 -0.946 0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.964 0.361 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.419 0.912 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.735 0.385 3.477 1.00 0.00 H new ATOM 606 N GLU A 37 -0.875 -0.308 7.026 1.00 0.00 N ATOM 607 CA GLU A 37 -1.830 -0.256 8.139 1.00 0.00 C ATOM 608 C GLU A 37 -3.065 0.558 7.737 1.00 0.00 C ATOM 609 O GLU A 37 -2.997 1.774 7.624 1.00 0.00 O ATOM 610 CB GLU A 37 -1.144 0.330 9.406 1.00 0.00 C ATOM 611 CG GLU A 37 -0.040 -0.586 9.989 1.00 0.00 C ATOM 612 CD GLU A 37 0.647 -0.044 11.256 1.00 0.00 C ATOM 613 OE1 GLU A 37 -0.047 0.511 12.134 1.00 0.00 O ATOM 614 OE2 GLU A 37 1.885 -0.184 11.392 1.00 0.00 O ATOM 0 H GLU A 37 -0.196 0.453 7.032 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.161 -1.267 8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.709 1.298 9.159 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.901 0.506 10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.477 -1.558 10.217 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.718 -0.750 9.223 1.00 0.00 H new ATOM 621 N VAL A 38 -4.201 -0.126 7.541 1.00 0.00 N ATOM 622 CA VAL A 38 -5.445 0.512 7.100 1.00 0.00 C ATOM 623 C VAL A 38 -6.205 0.980 8.347 1.00 0.00 C ATOM 624 O VAL A 38 -6.907 0.184 8.981 1.00 0.00 O ATOM 625 CB VAL A 38 -6.327 -0.466 6.246 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.567 0.257 5.696 1.00 0.00 C ATOM 627 CG2 VAL A 38 -5.506 -1.117 5.111 1.00 0.00 C ATOM 0 H VAL A 38 -4.281 -1.133 7.684 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.210 1.361 6.458 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.669 -1.268 6.900 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.163 -0.440 5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.165 0.636 6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.253 1.089 5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.146 -1.789 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.114 -0.341 4.454 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.678 -1.682 5.539 1.00 0.00 H new ATOM 637 N VAL A 39 -6.011 2.260 8.727 1.00 0.00 N ATOM 638 CA VAL A 39 -6.488 2.780 10.013 1.00 0.00 C ATOM 639 C VAL A 39 -7.914 3.374 9.890 1.00 0.00 C ATOM 640 O VAL A 39 -8.173 4.221 9.027 1.00 0.00 O ATOM 641 CB VAL A 39 -5.504 3.846 10.622 1.00 0.00 C ATOM 642 CG1 VAL A 39 -5.920 4.205 12.067 1.00 0.00 C ATOM 643 CG2 VAL A 39 -4.030 3.355 10.570 1.00 0.00 C ATOM 0 H VAL A 39 -5.525 2.950 8.155 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.524 1.932 10.696 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.568 4.748 10.013 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.228 4.943 12.472 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.929 4.617 12.063 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.896 3.308 12.686 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.378 4.116 10.999 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.934 2.431 11.141 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.743 3.173 9.534 1.00 0.00 H new ATOM 653 N ASN A 40 -8.812 2.887 10.776 1.00 0.00 N ATOM 654 CA ASN A 40 -10.222 3.311 10.894 1.00 0.00 C ATOM 655 C ASN A 40 -11.004 3.239 9.563 1.00 0.00 C ATOM 656 O ASN A 40 -12.037 3.907 9.407 1.00 0.00 O ATOM 657 CB ASN A 40 -10.318 4.718 11.553 1.00 0.00 C ATOM 658 CG ASN A 40 -9.782 4.767 13.000 1.00 0.00 C ATOM 659 OD1 ASN A 40 -9.241 5.772 13.429 1.00 0.00 O ATOM 660 ND2 ASN A 40 -9.975 3.704 13.775 1.00 0.00 N ATOM 0 H ASN A 40 -8.565 2.163 11.451 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.711 2.590 11.549 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.762 5.432 10.945 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.359 5.040 11.550 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.668 3.720 14.748 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.430 2.873 13.397 1.00 0.00 H new ATOM 667 N LYS A 41 -10.511 2.387 8.639 1.00 0.00 N ATOM 668 CA LYS A 41 -11.087 2.167 7.298 1.00 0.00 C ATOM 669 C LYS A 41 -11.110 3.437 6.397 1.00 0.00 C ATOM 670 O LYS A 41 -11.658 3.388 5.287 1.00 0.00 O ATOM 671 CB LYS A 41 -12.507 1.513 7.394 1.00 0.00 C ATOM 672 CG LYS A 41 -12.528 0.089 8.000 1.00 0.00 C ATOM 673 CD LYS A 41 -13.957 -0.507 8.079 1.00 0.00 C ATOM 674 CE LYS A 41 -13.965 -1.959 8.588 1.00 0.00 C ATOM 675 NZ LYS A 41 -13.281 -2.886 7.652 1.00 0.00 N ATOM 0 H LYS A 41 -9.681 1.820 8.811 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.411 1.471 6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.148 2.158 7.995 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.941 1.474 6.395 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.898 -0.567 7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.095 0.118 9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.568 0.109 8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.417 -0.469 7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.477 -2.003 9.562 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.995 -2.286 8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.428 -3.867 7.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.673 -2.766 6.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.263 -2.676 7.637 1.00 0.00 H new ATOM 689 N ARG A 42 -10.500 4.549 6.847 1.00 0.00 N ATOM 690 CA ARG A 42 -10.526 5.831 6.110 1.00 0.00 C ATOM 691 C ARG A 42 -9.321 5.932 5.170 1.00 0.00 C ATOM 692 O ARG A 42 -9.454 6.361 4.014 1.00 0.00 O ATOM 693 CB ARG A 42 -10.538 7.032 7.086 1.00 0.00 C ATOM 694 CG ARG A 42 -11.763 7.093 8.026 1.00 0.00 C ATOM 695 CD ARG A 42 -11.840 8.416 8.811 1.00 0.00 C ATOM 696 NE ARG A 42 -12.087 9.580 7.928 1.00 0.00 N ATOM 697 CZ ARG A 42 -11.253 10.629 7.741 1.00 0.00 C ATOM 698 NH1 ARG A 42 -10.075 10.685 8.351 1.00 0.00 N ATOM 699 NH2 ARG A 42 -11.610 11.616 6.928 1.00 0.00 N ATOM 0 H ARG A 42 -9.979 4.587 7.723 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.441 5.860 5.518 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.633 6.997 7.693 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.497 7.954 6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.673 6.969 7.439 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.720 6.260 8.728 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.636 8.350 9.553 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.908 8.567 9.356 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.968 9.592 7.413 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.786 9.929 8.972 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.459 11.484 8.198 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.509 11.581 6.448 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.985 12.409 6.784 1.00 0.00 H new ATOM 713 N PHE A 43 -8.160 5.490 5.658 1.00 0.00 N ATOM 714 CA PHE A 43 -6.882 5.695 4.967 1.00 0.00 C ATOM 715 C PHE A 43 -5.905 4.574 5.323 1.00 0.00 C ATOM 716 O PHE A 43 -6.193 3.726 6.181 1.00 0.00 O ATOM 717 CB PHE A 43 -6.273 7.093 5.310 1.00 0.00 C ATOM 718 CG PHE A 43 -5.806 7.285 6.757 1.00 0.00 C ATOM 719 CD1 PHE A 43 -6.711 7.619 7.758 1.00 0.00 C ATOM 720 CD2 PHE A 43 -4.458 7.145 7.110 1.00 0.00 C ATOM 721 CE1 PHE A 43 -6.291 7.807 9.055 1.00 0.00 C ATOM 722 CE2 PHE A 43 -4.041 7.332 8.413 1.00 0.00 C ATOM 723 CZ PHE A 43 -4.958 7.665 9.384 1.00 0.00 C ATOM 0 H PHE A 43 -8.077 4.982 6.539 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.065 5.670 3.893 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.425 7.270 4.649 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.017 7.857 5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.757 7.732 7.515 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.734 6.887 6.352 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.008 8.067 9.819 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.998 7.217 8.670 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.634 7.815 10.403 1.00 0.00 H new ATOM 733 N VAL A 44 -4.744 4.587 4.653 1.00 0.00 N ATOM 734 CA VAL A 44 -3.651 3.645 4.904 1.00 0.00 C ATOM 735 C VAL A 44 -2.415 4.440 5.323 1.00 0.00 C ATOM 736 O VAL A 44 -1.967 5.329 4.587 1.00 0.00 O ATOM 737 CB VAL A 44 -3.330 2.772 3.635 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.166 1.790 3.899 1.00 0.00 C ATOM 739 CG2 VAL A 44 -4.590 2.024 3.155 1.00 0.00 C ATOM 0 H VAL A 44 -4.538 5.260 3.915 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.951 2.960 5.697 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.010 3.447 2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.973 1.204 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.270 2.351 4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.433 1.121 4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.346 1.426 2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.950 1.371 3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.366 2.745 2.899 1.00 0.00 H new ATOM 749 N ARG A 45 -1.877 4.127 6.508 1.00 0.00 N ATOM 750 CA ARG A 45 -0.651 4.732 7.023 1.00 0.00 C ATOM 751 C ARG A 45 0.472 3.709 6.750 1.00 0.00 C ATOM 752 O ARG A 45 0.403 2.557 7.191 1.00 0.00 O ATOM 753 CB ARG A 45 -0.825 5.092 8.536 1.00 0.00 C ATOM 754 CG ARG A 45 0.143 6.173 9.091 1.00 0.00 C ATOM 755 CD ARG A 45 1.567 5.665 9.344 1.00 0.00 C ATOM 756 NE ARG A 45 1.581 4.564 10.328 1.00 0.00 N ATOM 757 CZ ARG A 45 2.534 3.630 10.449 1.00 0.00 C ATOM 758 NH1 ARG A 45 3.607 3.632 9.658 1.00 0.00 N ATOM 759 NH2 ARG A 45 2.404 2.691 11.381 1.00 0.00 N ATOM 0 H ARG A 45 -2.288 3.439 7.140 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.403 5.675 6.536 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.848 5.433 8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.698 4.182 9.123 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.185 7.004 8.387 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.263 6.565 10.024 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.004 5.322 8.406 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.188 6.485 9.705 1.00 0.00 H new ATOM 0 HE ARG A 45 0.794 4.510 10.974 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.713 4.353 8.945 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.322 2.912 9.766 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.587 2.688 11.992 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.121 1.973 11.485 1.00 0.00 H new ATOM 773 N VAL A 46 1.478 4.160 6.003 1.00 0.00 N ATOM 774 CA VAL A 46 2.518 3.304 5.418 1.00 0.00 C ATOM 775 C VAL A 46 3.698 3.166 6.383 1.00 0.00 C ATOM 776 O VAL A 46 4.307 4.169 6.761 1.00 0.00 O ATOM 777 CB VAL A 46 2.994 3.895 4.042 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.114 3.059 3.386 1.00 0.00 C ATOM 779 CG2 VAL A 46 1.801 4.071 3.075 1.00 0.00 C ATOM 0 H VAL A 46 1.599 5.148 5.781 1.00 0.00 H new ATOM 0 HA VAL A 46 2.101 2.312 5.243 1.00 0.00 H new ATOM 0 HB VAL A 46 3.420 4.875 4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.402 3.516 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.978 3.024 4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.754 2.046 3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.156 4.481 2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.331 3.104 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.073 4.752 3.516 1.00 0.00 H new ATOM 789 N THR A 47 3.996 1.925 6.801 1.00 0.00 N ATOM 790 CA THR A 47 5.194 1.601 7.579 1.00 0.00 C ATOM 791 C THR A 47 6.290 1.164 6.605 1.00 0.00 C ATOM 792 O THR A 47 6.025 0.349 5.727 1.00 0.00 O ATOM 793 CB THR A 47 4.915 0.456 8.614 1.00 0.00 C ATOM 794 OG1 THR A 47 3.816 0.833 9.459 1.00 0.00 O ATOM 795 CG2 THR A 47 6.148 0.144 9.484 1.00 0.00 C ATOM 0 H THR A 47 3.406 1.116 6.605 1.00 0.00 H new ATOM 0 HA THR A 47 5.504 2.482 8.142 1.00 0.00 H new ATOM 0 HB THR A 47 4.672 -0.445 8.052 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.492 0.046 9.945 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.906 -0.655 10.185 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.973 -0.171 8.846 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.438 1.037 10.038 1.00 0.00 H new ATOM 803 N PHE A 48 7.482 1.753 6.741 1.00 0.00 N ATOM 804 CA PHE A 48 8.657 1.386 5.923 1.00 0.00 C ATOM 805 C PHE A 48 9.564 0.404 6.671 1.00 0.00 C ATOM 806 O PHE A 48 9.372 0.158 7.864 1.00 0.00 O ATOM 807 CB PHE A 48 9.455 2.640 5.532 1.00 0.00 C ATOM 808 CG PHE A 48 8.661 3.663 4.732 1.00 0.00 C ATOM 809 CD1 PHE A 48 8.315 3.408 3.410 1.00 0.00 C ATOM 810 CD2 PHE A 48 8.269 4.873 5.298 1.00 0.00 C ATOM 811 CE1 PHE A 48 7.604 4.330 2.679 1.00 0.00 C ATOM 812 CE2 PHE A 48 7.559 5.796 4.567 1.00 0.00 C ATOM 813 CZ PHE A 48 7.225 5.523 3.255 1.00 0.00 C ATOM 0 H PHE A 48 7.666 2.495 7.416 1.00 0.00 H new ATOM 0 HA PHE A 48 8.293 0.900 5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.829 3.116 6.439 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.325 2.336 4.949 1.00 0.00 H new ATOM 0 HD1 PHE A 48 8.608 2.475 2.952 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.526 5.089 6.324 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.342 4.119 1.653 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.263 6.732 5.018 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.666 6.246 2.679 1.00 0.00 H new ATOM 823 N THR A 49 10.551 -0.153 5.960 1.00 0.00 N ATOM 824 CA THR A 49 11.557 -1.056 6.543 1.00 0.00 C ATOM 825 C THR A 49 12.709 -0.252 7.206 1.00 0.00 C ATOM 826 O THR A 49 13.101 0.807 6.690 1.00 0.00 O ATOM 827 CB THR A 49 12.130 -2.013 5.450 1.00 0.00 C ATOM 828 OG1 THR A 49 12.579 -1.258 4.307 1.00 0.00 O ATOM 829 CG2 THR A 49 11.084 -3.048 4.997 1.00 0.00 C ATOM 0 H THR A 49 10.677 0.009 4.961 1.00 0.00 H new ATOM 0 HA THR A 49 11.068 -1.652 7.313 1.00 0.00 H new ATOM 0 HB THR A 49 12.972 -2.545 5.894 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.937 -1.870 3.631 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.519 -3.696 4.236 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.773 -3.649 5.851 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.218 -2.532 4.582 1.00 0.00 H new ATOM 960 N TYR A 59 7.111 8.965 8.008 1.00 0.00 N ATOM 961 CA TYR A 59 6.181 8.065 7.308 1.00 0.00 C ATOM 962 C TYR A 59 5.384 8.826 6.255 1.00 0.00 C ATOM 963 O TYR A 59 5.527 10.044 6.106 1.00 0.00 O ATOM 964 CB TYR A 59 5.219 7.379 8.311 1.00 0.00 C ATOM 965 CG TYR A 59 5.934 6.394 9.243 1.00 0.00 C ATOM 966 CD1 TYR A 59 6.401 5.178 8.754 1.00 0.00 C ATOM 967 CD2 TYR A 59 6.160 6.684 10.585 1.00 0.00 C ATOM 968 CE1 TYR A 59 7.073 4.295 9.561 1.00 0.00 C ATOM 969 CE2 TYR A 59 6.831 5.798 11.402 1.00 0.00 C ATOM 970 CZ TYR A 59 7.286 4.602 10.884 1.00 0.00 C ATOM 971 OH TYR A 59 7.957 3.713 11.695 1.00 0.00 O ATOM 0 HA TYR A 59 6.770 7.295 6.810 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.721 8.142 8.910 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.442 6.850 7.758 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.231 4.924 7.718 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.804 7.618 10.994 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.434 3.360 9.158 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.999 6.039 12.441 1.00 0.00 H new ATOM 0 HH TYR A 59 8.024 4.082 12.600 1.00 0.00 H new ATOM 981 N VAL A 60 4.580 8.084 5.497 1.00 0.00 N ATOM 982 CA VAL A 60 3.601 8.652 4.569 1.00 0.00 C ATOM 983 C VAL A 60 2.239 7.995 4.814 1.00 0.00 C ATOM 984 O VAL A 60 2.137 7.010 5.554 1.00 0.00 O ATOM 985 CB VAL A 60 4.031 8.486 3.064 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.349 9.233 2.751 1.00 0.00 C ATOM 987 CG2 VAL A 60 4.131 7.002 2.672 1.00 0.00 C ATOM 0 H VAL A 60 4.588 7.064 5.508 1.00 0.00 H new ATOM 0 HA VAL A 60 3.539 9.724 4.757 1.00 0.00 H new ATOM 0 HB VAL A 60 3.249 8.943 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.607 9.091 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.221 10.297 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.149 8.839 3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.430 6.921 1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.872 6.509 3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.162 6.523 2.810 1.00 0.00 H new ATOM 997 N TRP A 61 1.202 8.556 4.190 1.00 0.00 N ATOM 998 CA TRP A 61 -0.166 8.023 4.249 1.00 0.00 C ATOM 999 C TRP A 61 -0.961 8.537 3.052 1.00 0.00 C ATOM 1000 O TRP A 61 -0.606 9.556 2.456 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.878 8.407 5.583 1.00 0.00 C ATOM 1002 CG TRP A 61 -1.069 9.895 5.802 1.00 0.00 C ATOM 1003 CD1 TRP A 61 -0.096 10.806 6.080 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -2.303 10.631 5.764 1.00 0.00 C ATOM 1005 NE1 TRP A 61 -0.640 12.050 6.231 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -1.993 11.972 6.038 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -3.638 10.282 5.525 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -2.967 12.969 6.085 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -4.605 11.271 5.571 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -4.265 12.602 5.849 1.00 0.00 C ATOM 0 H TRP A 61 1.286 9.400 3.624 1.00 0.00 H new ATOM 0 HA TRP A 61 -0.113 6.935 4.214 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.854 7.923 5.609 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -0.300 8.004 6.415 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.956 10.578 6.169 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.121 12.900 6.452 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.908 9.259 5.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.707 13.995 6.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.638 11.013 5.390 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.041 13.352 5.878 1.00 0.00 H new ATOM 1021 N PHE A 62 -2.036 7.828 2.707 1.00 0.00 N ATOM 1022 CA PHE A 62 -2.935 8.221 1.615 1.00 0.00 C ATOM 1023 C PHE A 62 -4.368 7.807 1.952 1.00 0.00 C ATOM 1024 O PHE A 62 -4.591 6.733 2.521 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.465 7.614 0.254 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.217 6.102 0.269 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -0.964 5.586 0.601 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.230 5.201 -0.045 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -0.741 4.226 0.621 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.003 3.840 -0.025 1.00 0.00 C ATOM 1031 CZ PHE A 62 -1.757 3.351 0.310 1.00 0.00 C ATOM 0 H PHE A 62 -2.311 6.964 3.175 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.907 9.305 1.506 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.216 7.836 -0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.546 8.114 -0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.158 6.262 0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.209 5.573 -0.308 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.235 3.845 0.882 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -3.802 3.156 -0.272 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.580 2.286 0.328 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.336 8.670 1.599 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.763 8.419 1.857 1.00 0.00 C ATOM 1043 C ASN A 63 -7.347 7.527 0.747 1.00 0.00 C ATOM 1044 O ASN A 63 -7.159 7.798 -0.441 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.558 9.743 2.001 1.00 0.00 C ATOM 1046 CG ASN A 63 -7.471 10.681 0.789 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -8.279 10.610 -0.139 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -6.496 11.575 0.798 1.00 0.00 N ATOM 0 H ASN A 63 -5.152 9.557 1.129 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.855 7.893 2.807 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.606 9.503 2.183 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.195 10.274 2.881 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.398 12.230 0.022 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.843 11.609 1.580 1.00 0.00 H new ATOM 1055 N ILE A 64 -8.017 6.440 1.152 1.00 0.00 N ATOM 1056 CA ILE A 64 -8.580 5.437 0.220 1.00 0.00 C ATOM 1057 C ILE A 64 -10.105 5.564 0.146 1.00 0.00 C ATOM 1058 O ILE A 64 -10.703 5.262 -0.896 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.183 3.977 0.656 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -8.675 3.680 2.114 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -6.657 3.768 0.520 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.308 2.318 2.656 1.00 0.00 C ATOM 0 H ILE A 64 -8.187 6.225 2.134 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.162 5.629 -0.768 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.678 3.269 -0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.265 4.440 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.760 3.783 2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.400 2.754 0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.360 3.921 -0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.134 4.482 1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.695 2.213 3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.741 1.545 2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.223 2.212 2.669 1.00 0.00 H new ATOM 1074 N GLY A 65 -10.720 6.026 1.255 1.00 0.00 N ATOM 1075 CA GLY A 65 -12.175 6.095 1.380 1.00 0.00 C ATOM 1076 C GLY A 65 -12.778 4.718 1.603 1.00 0.00 C ATOM 1077 O GLY A 65 -13.241 4.398 2.701 1.00 0.00 O ATOM 0 H GLY A 65 -10.218 6.357 2.079 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.440 6.749 2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.599 6.538 0.479 1.00 0.00 H new ATOM 1081 N SER A 66 -12.769 3.901 0.541 1.00 0.00 N ATOM 1082 CA SER A 66 -13.184 2.496 0.577 1.00 0.00 C ATOM 1083 C SER A 66 -11.948 1.580 0.649 1.00 0.00 C ATOM 1084 O SER A 66 -11.059 1.645 -0.217 1.00 0.00 O ATOM 1085 CB SER A 66 -14.031 2.165 -0.669 1.00 0.00 C ATOM 1086 OG SER A 66 -14.396 0.791 -0.714 1.00 0.00 O ATOM 0 H SER A 66 -12.467 4.206 -0.384 1.00 0.00 H new ATOM 0 HA SER A 66 -13.791 2.327 1.466 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.931 2.780 -0.670 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.470 2.421 -1.568 1.00 0.00 H new ATOM 0 HG SER A 66 -14.933 0.621 -1.516 1.00 0.00 H new ATOM 1092 N VAL A 67 -11.895 0.765 1.715 1.00 0.00 N ATOM 1093 CA VAL A 67 -10.883 -0.294 1.884 1.00 0.00 C ATOM 1094 C VAL A 67 -11.060 -1.396 0.839 1.00 0.00 C ATOM 1095 O VAL A 67 -10.075 -1.968 0.378 1.00 0.00 O ATOM 1096 CB VAL A 67 -10.941 -0.944 3.311 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -9.799 -1.964 3.527 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -10.916 0.133 4.401 1.00 0.00 C ATOM 0 H VAL A 67 -12.557 0.822 2.489 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.914 0.188 1.755 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.883 -1.488 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.876 -2.390 4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.877 -2.760 2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.838 -1.462 3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.957 -0.341 5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.998 0.714 4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.775 0.793 4.281 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.320 -1.675 0.456 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.641 -2.720 -0.532 1.00 0.00 C ATOM 1110 C ASP A 68 -12.041 -2.345 -1.898 1.00 0.00 C ATOM 1111 O ASP A 68 -11.546 -3.207 -2.628 1.00 0.00 O ATOM 1112 CB ASP A 68 -14.185 -2.908 -0.620 1.00 0.00 C ATOM 1113 CG ASP A 68 -14.612 -4.115 -1.475 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -14.522 -5.267 -0.989 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -15.010 -3.931 -2.646 1.00 0.00 O ATOM 0 H ASP A 68 -13.138 -1.186 0.820 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.204 -3.669 -0.220 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.586 -3.027 0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.629 -2.004 -1.036 1.00 0.00 H new ATOM 1120 N THR A 69 -12.073 -1.031 -2.206 1.00 0.00 N ATOM 1121 CA THR A 69 -11.402 -0.464 -3.388 1.00 0.00 C ATOM 1122 C THR A 69 -9.872 -0.597 -3.263 1.00 0.00 C ATOM 1123 O THR A 69 -9.208 -1.003 -4.229 1.00 0.00 O ATOM 1124 CB THR A 69 -11.805 1.033 -3.592 1.00 0.00 C ATOM 1125 OG1 THR A 69 -13.233 1.136 -3.695 1.00 0.00 O ATOM 1126 CG2 THR A 69 -11.161 1.669 -4.838 1.00 0.00 C ATOM 0 H THR A 69 -12.564 -0.338 -1.642 1.00 0.00 H new ATOM 0 HA THR A 69 -11.727 -1.028 -4.262 1.00 0.00 H new ATOM 0 HB THR A 69 -11.436 1.580 -2.724 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.485 2.075 -3.821 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.481 2.708 -4.923 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.076 1.630 -4.747 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.470 1.120 -5.728 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.330 -0.256 -2.062 1.00 0.00 N ATOM 1135 CA PHE A 70 -7.886 -0.400 -1.748 1.00 0.00 C ATOM 1136 C PHE A 70 -7.383 -1.818 -2.041 1.00 0.00 C ATOM 1137 O PHE A 70 -6.293 -1.984 -2.574 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.589 -0.017 -0.266 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.154 -0.331 0.214 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.053 0.354 -0.305 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -5.915 -1.330 1.163 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -3.768 0.057 0.111 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -4.626 -1.628 1.573 1.00 0.00 C ATOM 1144 CZ PHE A 70 -3.555 -0.933 1.047 1.00 0.00 C ATOM 0 H PHE A 70 -9.880 0.124 -1.291 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.348 0.290 -2.397 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.774 1.050 -0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.295 -0.542 0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.208 1.128 -1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.747 -1.877 1.582 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.930 0.601 -0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.458 -2.405 2.305 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.550 -1.165 1.369 1.00 0.00 H new ATOM 1154 N GLU A 71 -8.189 -2.820 -1.686 1.00 0.00 N ATOM 1155 CA GLU A 71 -7.849 -4.226 -1.905 1.00 0.00 C ATOM 1156 C GLU A 71 -7.828 -4.542 -3.406 1.00 0.00 C ATOM 1157 O GLU A 71 -6.840 -5.069 -3.900 1.00 0.00 O ATOM 1158 CB GLU A 71 -8.859 -5.145 -1.183 1.00 0.00 C ATOM 1159 CG GLU A 71 -8.925 -4.967 0.345 1.00 0.00 C ATOM 1160 CD GLU A 71 -10.007 -5.846 0.981 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -9.737 -7.035 1.270 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -11.147 -5.377 1.153 1.00 0.00 O ATOM 0 H GLU A 71 -9.095 -2.679 -1.239 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.856 -4.408 -1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.851 -4.966 -1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.605 -6.182 -1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.956 -5.213 0.780 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.124 -3.921 0.580 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.918 -4.177 -4.124 1.00 0.00 N ATOM 1170 CA ARG A 72 -9.091 -4.503 -5.557 1.00 0.00 C ATOM 1171 C ARG A 72 -7.919 -3.989 -6.403 1.00 0.00 C ATOM 1172 O ARG A 72 -7.267 -4.767 -7.120 1.00 0.00 O ATOM 1173 CB ARG A 72 -10.416 -3.907 -6.109 1.00 0.00 C ATOM 1174 CG ARG A 72 -11.696 -4.512 -5.498 1.00 0.00 C ATOM 1175 CD ARG A 72 -12.982 -3.910 -6.094 1.00 0.00 C ATOM 1176 NE ARG A 72 -14.196 -4.420 -5.419 1.00 0.00 N ATOM 1177 CZ ARG A 72 -15.458 -4.331 -5.893 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -15.702 -3.738 -7.070 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -16.464 -4.830 -5.164 1.00 0.00 N ATOM 0 H ARG A 72 -9.697 -3.651 -3.727 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.124 -5.590 -5.629 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.417 -2.832 -5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.442 -4.051 -7.189 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.696 -5.590 -5.659 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.690 -4.351 -4.420 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.948 -2.824 -6.008 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -13.033 -4.144 -7.157 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.069 -4.879 -4.517 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.932 -3.350 -7.615 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.658 -3.675 -7.421 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.272 -5.270 -4.264 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -17.422 -4.770 -5.509 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.637 -2.674 -6.300 1.00 0.00 N ATOM 1194 CA ASN A 73 -6.607 -2.029 -7.124 1.00 0.00 C ATOM 1195 C ASN A 73 -5.189 -2.455 -6.693 1.00 0.00 C ATOM 1196 O ASN A 73 -4.307 -2.546 -7.534 1.00 0.00 O ATOM 1197 CB ASN A 73 -6.780 -0.481 -7.148 1.00 0.00 C ATOM 1198 CG ASN A 73 -6.481 0.260 -5.836 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -6.513 -0.307 -4.757 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -6.222 1.558 -5.931 1.00 0.00 N ATOM 0 H ASN A 73 -8.110 -2.043 -5.654 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.740 -2.375 -8.149 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.131 -0.077 -7.924 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.805 -0.256 -7.441 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.044 2.105 -5.089 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.201 2.008 -6.846 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.991 -2.733 -5.385 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.727 -3.306 -4.854 1.00 0.00 C ATOM 1209 C LEU A 74 -3.443 -4.713 -5.435 1.00 0.00 C ATOM 1210 O LEU A 74 -2.317 -5.001 -5.835 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.782 -3.365 -3.302 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.477 -3.765 -2.551 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -1.358 -2.732 -2.773 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -2.739 -3.973 -1.040 1.00 0.00 C ATOM 0 H LEU A 74 -5.698 -2.569 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.910 -2.654 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.092 -2.385 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.563 -4.071 -3.020 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.142 -4.714 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.463 -3.044 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.135 -2.661 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.683 -1.759 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.809 -4.251 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.119 -3.048 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.474 -4.766 -0.904 1.00 0.00 H new ATOM 1226 N GLU A 75 -4.474 -5.572 -5.481 1.00 0.00 N ATOM 1227 CA GLU A 75 -4.352 -6.965 -5.981 1.00 0.00 C ATOM 1228 C GLU A 75 -3.962 -7.013 -7.466 1.00 0.00 C ATOM 1229 O GLU A 75 -3.059 -7.780 -7.860 1.00 0.00 O ATOM 1230 CB GLU A 75 -5.674 -7.744 -5.752 1.00 0.00 C ATOM 1231 CG GLU A 75 -5.987 -8.060 -4.274 1.00 0.00 C ATOM 1232 CD GLU A 75 -4.899 -8.912 -3.600 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -4.951 -10.161 -3.709 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -3.965 -8.346 -2.981 1.00 0.00 O ATOM 0 H GLU A 75 -5.416 -5.328 -5.175 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.552 -7.441 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.498 -7.165 -6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.629 -8.680 -6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.102 -7.126 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.941 -8.584 -4.214 1.00 0.00 H new ATOM 1241 N THR A 76 -4.634 -6.172 -8.266 1.00 0.00 N ATOM 1242 CA THR A 76 -4.352 -6.039 -9.696 1.00 0.00 C ATOM 1243 C THR A 76 -2.925 -5.502 -9.886 1.00 0.00 C ATOM 1244 O THR A 76 -2.117 -6.081 -10.597 1.00 0.00 O ATOM 1245 CB THR A 76 -5.384 -5.069 -10.359 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.716 -5.432 -9.955 1.00 0.00 O ATOM 1247 CG2 THR A 76 -5.296 -5.071 -11.894 1.00 0.00 C ATOM 0 H THR A 76 -5.387 -5.567 -7.937 1.00 0.00 H new ATOM 0 HA THR A 76 -4.437 -7.015 -10.173 1.00 0.00 H new ATOM 0 HB THR A 76 -5.143 -4.061 -10.021 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.892 -5.082 -9.057 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.034 -4.380 -12.302 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.298 -4.758 -12.202 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.493 -6.076 -12.268 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.636 -4.416 -9.170 1.00 0.00 N ATOM 1256 CA LEU A 77 -1.348 -3.717 -9.212 1.00 0.00 C ATOM 1257 C LEU A 77 -0.146 -4.638 -8.934 1.00 0.00 C ATOM 1258 O LEU A 77 0.802 -4.663 -9.717 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.385 -2.575 -8.192 1.00 0.00 C ATOM 1260 CG LEU A 77 -0.162 -1.647 -8.155 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.059 -0.963 -9.524 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.331 -0.630 -7.024 1.00 0.00 C ATOM 0 H LEU A 77 -3.304 -3.987 -8.530 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.207 -3.336 -10.224 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.268 -1.968 -8.392 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.514 -3.008 -7.200 1.00 0.00 H new ATOM 0 HG LEU A 77 0.733 -2.236 -7.955 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.931 -0.312 -9.469 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.221 -1.723 -10.288 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.820 -0.371 -9.781 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.536 0.030 -6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.231 -0.040 -7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.419 -1.155 -6.073 1.00 0.00 H new ATOM 1274 N GLN A 78 -0.213 -5.396 -7.830 1.00 0.00 N ATOM 1275 CA GLN A 78 0.880 -6.293 -7.415 1.00 0.00 C ATOM 1276 C GLN A 78 1.094 -7.423 -8.440 1.00 0.00 C ATOM 1277 O GLN A 78 2.237 -7.759 -8.754 1.00 0.00 O ATOM 1278 CB GLN A 78 0.611 -6.867 -5.999 1.00 0.00 C ATOM 1279 CG GLN A 78 0.559 -5.806 -4.877 1.00 0.00 C ATOM 1280 CD GLN A 78 0.299 -6.405 -3.495 1.00 0.00 C ATOM 1281 OE1 GLN A 78 1.227 -6.691 -2.740 1.00 0.00 O ATOM 1282 NE2 GLN A 78 -0.963 -6.646 -3.178 1.00 0.00 N ATOM 0 H GLN A 78 -1.018 -5.407 -7.203 1.00 0.00 H new ATOM 0 HA GLN A 78 1.799 -5.708 -7.374 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.335 -7.408 -6.014 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.389 -7.592 -5.761 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.502 -5.260 -4.858 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.224 -5.083 -5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.709 -6.396 -3.828 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.190 -7.082 -2.284 1.00 0.00 H new ATOM 1291 N GLN A 79 -0.009 -7.975 -8.994 1.00 0.00 N ATOM 1292 CA GLN A 79 0.085 -9.079 -9.979 1.00 0.00 C ATOM 1293 C GLN A 79 0.713 -8.576 -11.300 1.00 0.00 C ATOM 1294 O GLN A 79 1.483 -9.295 -11.945 1.00 0.00 O ATOM 1295 CB GLN A 79 -1.293 -9.773 -10.231 1.00 0.00 C ATOM 1296 CG GLN A 79 -2.203 -9.108 -11.279 1.00 0.00 C ATOM 1297 CD GLN A 79 -3.494 -9.858 -11.600 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -4.494 -9.248 -11.954 1.00 0.00 O ATOM 1299 NE2 GLN A 79 -3.482 -11.184 -11.502 1.00 0.00 N ATOM 0 H GLN A 79 -0.962 -7.680 -8.781 1.00 0.00 H new ATOM 0 HA GLN A 79 0.740 -9.839 -9.553 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.108 -10.802 -10.540 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.833 -9.817 -9.285 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.462 -8.109 -10.928 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.636 -8.985 -12.202 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.634 -11.666 -11.204 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.321 -11.719 -11.725 1.00 0.00 H new ATOM 1308 N GLU A 80 0.400 -7.319 -11.679 1.00 0.00 N ATOM 1309 CA GLU A 80 0.914 -6.693 -12.912 1.00 0.00 C ATOM 1310 C GLU A 80 2.391 -6.303 -12.758 1.00 0.00 C ATOM 1311 O GLU A 80 3.197 -6.537 -13.661 1.00 0.00 O ATOM 1312 CB GLU A 80 0.060 -5.454 -13.279 1.00 0.00 C ATOM 1313 CG GLU A 80 -1.418 -5.760 -13.607 1.00 0.00 C ATOM 1314 CD GLU A 80 -1.615 -6.702 -14.805 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -1.499 -6.237 -15.965 1.00 0.00 O ATOM 1316 OE2 GLU A 80 -1.899 -7.911 -14.606 1.00 0.00 O ATOM 0 H GLU A 80 -0.216 -6.711 -11.138 1.00 0.00 H new ATOM 0 HA GLU A 80 0.842 -7.421 -13.720 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.095 -4.748 -12.450 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.513 -4.959 -14.138 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.889 -6.203 -12.730 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.936 -4.822 -13.808 1.00 0.00 H new ATOM 1323 N LEU A 81 2.732 -5.711 -11.597 1.00 0.00 N ATOM 1324 CA LEU A 81 4.114 -5.305 -11.256 1.00 0.00 C ATOM 1325 C LEU A 81 5.028 -6.520 -10.980 1.00 0.00 C ATOM 1326 O LEU A 81 6.237 -6.348 -10.820 1.00 0.00 O ATOM 1327 CB LEU A 81 4.110 -4.360 -10.017 1.00 0.00 C ATOM 1328 CG LEU A 81 3.575 -2.905 -10.229 1.00 0.00 C ATOM 1329 CD1 LEU A 81 3.620 -2.102 -8.907 1.00 0.00 C ATOM 1330 CD2 LEU A 81 4.360 -2.180 -11.347 1.00 0.00 C ATOM 0 H LEU A 81 2.055 -5.499 -10.864 1.00 0.00 H new ATOM 0 HA LEU A 81 4.515 -4.777 -12.121 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.512 -4.829 -9.236 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.131 -4.293 -9.640 1.00 0.00 H new ATOM 0 HG LEU A 81 2.534 -2.973 -10.545 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.243 -1.094 -9.081 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.001 -2.597 -8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.648 -2.048 -8.549 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.967 -1.171 -11.472 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.414 -2.127 -11.076 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.253 -2.730 -12.282 1.00 0.00 H new ATOM 1342 N GLY A 82 4.444 -7.731 -10.903 1.00 0.00 N ATOM 1343 CA GLY A 82 5.217 -8.956 -10.654 1.00 0.00 C ATOM 1344 C GLY A 82 5.460 -9.222 -9.175 1.00 0.00 C ATOM 1345 O GLY A 82 6.120 -10.192 -8.829 1.00 0.00 O ATOM 0 H GLY A 82 3.441 -7.884 -11.010 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.689 -9.805 -11.087 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.177 -8.883 -11.166 1.00 0.00 H new ATOM 1349 N ILE A 83 4.903 -8.353 -8.318 1.00 0.00 N ATOM 1350 CA ILE A 83 5.016 -8.427 -6.859 1.00 0.00 C ATOM 1351 C ILE A 83 4.140 -9.592 -6.346 1.00 0.00 C ATOM 1352 O ILE A 83 2.908 -9.470 -6.286 1.00 0.00 O ATOM 1353 CB ILE A 83 4.554 -7.048 -6.236 1.00 0.00 C ATOM 1354 CG1 ILE A 83 5.447 -5.875 -6.755 1.00 0.00 C ATOM 1355 CG2 ILE A 83 4.526 -7.075 -4.694 1.00 0.00 C ATOM 1356 CD1 ILE A 83 5.023 -4.494 -6.283 1.00 0.00 C ATOM 0 H ILE A 83 4.347 -7.558 -8.633 1.00 0.00 H new ATOM 0 HA ILE A 83 6.048 -8.612 -6.561 1.00 0.00 H new ATOM 0 HB ILE A 83 3.529 -6.880 -6.568 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.475 -6.052 -6.438 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.442 -5.888 -7.845 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.202 -6.104 -4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.832 -7.844 -4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.524 -7.296 -4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.701 -3.745 -6.693 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.008 -4.289 -6.622 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.056 -4.456 -5.194 1.00 0.00 H new ATOM 1368 N GLU A 84 4.781 -10.738 -6.022 1.00 0.00 N ATOM 1369 CA GLU A 84 4.082 -11.954 -5.551 1.00 0.00 C ATOM 1370 C GLU A 84 4.827 -12.605 -4.381 1.00 0.00 C ATOM 1371 O GLU A 84 6.034 -12.395 -4.212 1.00 0.00 O ATOM 1372 CB GLU A 84 3.903 -12.968 -6.721 1.00 0.00 C ATOM 1373 CG GLU A 84 5.202 -13.398 -7.437 1.00 0.00 C ATOM 1374 CD GLU A 84 4.961 -14.398 -8.589 1.00 0.00 C ATOM 1375 OE1 GLU A 84 4.959 -15.626 -8.339 1.00 0.00 O ATOM 1376 OE2 GLU A 84 4.756 -13.958 -9.746 1.00 0.00 O ATOM 0 H GLU A 84 5.794 -10.845 -6.080 1.00 0.00 H new ATOM 0 HA GLU A 84 3.096 -11.658 -5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.411 -13.860 -6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.231 -12.529 -7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.701 -12.513 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.878 -13.848 -6.710 1.00 0.00 H new ATOM 1383 N GLY A 85 4.071 -13.370 -3.567 1.00 0.00 N ATOM 1384 CA GLY A 85 4.619 -14.140 -2.456 1.00 0.00 C ATOM 1385 C GLY A 85 5.235 -13.280 -1.359 1.00 0.00 C ATOM 1386 O GLY A 85 4.542 -12.470 -0.735 1.00 0.00 O ATOM 0 H GLY A 85 3.061 -13.464 -3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.827 -14.752 -2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.377 -14.823 -2.838 1.00 0.00 H new ATOM 1390 N GLU A 86 6.543 -13.467 -1.135 1.00 0.00 N ATOM 1391 CA GLU A 86 7.326 -12.745 -0.110 1.00 0.00 C ATOM 1392 C GLU A 86 7.452 -11.237 -0.436 1.00 0.00 C ATOM 1393 O GLU A 86 7.713 -10.422 0.457 1.00 0.00 O ATOM 1394 CB GLU A 86 8.735 -13.394 0.058 1.00 0.00 C ATOM 1395 CG GLU A 86 9.701 -13.256 -1.145 1.00 0.00 C ATOM 1396 CD GLU A 86 9.307 -14.086 -2.386 1.00 0.00 C ATOM 1397 OE1 GLU A 86 8.501 -13.606 -3.209 1.00 0.00 O ATOM 1398 OE2 GLU A 86 9.792 -15.223 -2.544 1.00 0.00 O ATOM 0 H GLU A 86 7.101 -14.135 -1.668 1.00 0.00 H new ATOM 0 HA GLU A 86 6.787 -12.828 0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.213 -12.953 0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.600 -14.455 0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.757 -12.205 -1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.700 -13.554 -0.827 1.00 0.00 H new ATOM 1405 N ASN A 87 7.253 -10.882 -1.716 1.00 0.00 N ATOM 1406 CA ASN A 87 7.330 -9.483 -2.175 1.00 0.00 C ATOM 1407 C ASN A 87 6.046 -8.702 -1.858 1.00 0.00 C ATOM 1408 O ASN A 87 6.097 -7.471 -1.743 1.00 0.00 O ATOM 1409 CB ASN A 87 7.622 -9.420 -3.698 1.00 0.00 C ATOM 1410 CG ASN A 87 9.052 -9.829 -4.059 1.00 0.00 C ATOM 1411 OD1 ASN A 87 9.951 -8.998 -4.092 1.00 0.00 O ATOM 1412 ND2 ASN A 87 9.255 -11.099 -4.361 1.00 0.00 N ATOM 0 H ASN A 87 7.036 -11.549 -2.457 1.00 0.00 H new ATOM 0 HA ASN A 87 8.151 -9.014 -1.632 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.922 -10.071 -4.222 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.441 -8.406 -4.054 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.186 -11.416 -4.633 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.481 -11.762 -4.322 1.00 0.00 H new ATOM 1419 N ARG A 88 4.900 -9.406 -1.716 1.00 0.00 N ATOM 1420 CA ARG A 88 3.611 -8.746 -1.420 1.00 0.00 C ATOM 1421 C ARG A 88 3.602 -8.188 0.002 1.00 0.00 C ATOM 1422 O ARG A 88 3.730 -8.945 0.960 1.00 0.00 O ATOM 1423 CB ARG A 88 2.413 -9.707 -1.627 1.00 0.00 C ATOM 1424 CG ARG A 88 2.054 -9.967 -3.106 1.00 0.00 C ATOM 1425 CD ARG A 88 0.680 -10.636 -3.268 1.00 0.00 C ATOM 1426 NE ARG A 88 0.219 -10.640 -4.671 1.00 0.00 N ATOM 1427 CZ ARG A 88 -1.048 -10.410 -5.065 1.00 0.00 C ATOM 1428 NH1 ARG A 88 -1.993 -10.152 -4.165 1.00 0.00 N ATOM 1429 NH2 ARG A 88 -1.356 -10.436 -6.360 1.00 0.00 N ATOM 0 H ARG A 88 4.842 -10.421 -1.801 1.00 0.00 H new ATOM 0 HA ARG A 88 3.501 -7.920 -2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.639 -10.659 -1.148 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.540 -9.295 -1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.061 -9.022 -3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.818 -10.600 -3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.733 -11.662 -2.903 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.050 -10.114 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 88 0.911 -10.831 -5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.759 -10.128 -3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.952 -9.978 -4.467 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.633 -10.630 -7.052 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.315 -10.262 -6.660 1.00 0.00 H new ATOM 1443 N VAL A 89 3.448 -6.858 0.119 1.00 0.00 N ATOM 1444 CA VAL A 89 3.508 -6.149 1.406 1.00 0.00 C ATOM 1445 C VAL A 89 2.258 -6.493 2.265 1.00 0.00 C ATOM 1446 O VAL A 89 1.132 -6.346 1.775 1.00 0.00 O ATOM 1447 CB VAL A 89 3.617 -4.594 1.175 1.00 0.00 C ATOM 1448 CG1 VAL A 89 3.565 -3.812 2.497 1.00 0.00 C ATOM 1449 CG2 VAL A 89 4.903 -4.246 0.383 1.00 0.00 C ATOM 0 H VAL A 89 3.278 -6.245 -0.678 1.00 0.00 H new ATOM 0 HA VAL A 89 4.398 -6.474 1.945 1.00 0.00 H new ATOM 0 HB VAL A 89 2.752 -4.292 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.643 -2.744 2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.622 -4.016 3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.393 -4.120 3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.958 -3.168 0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.777 -4.581 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.880 -4.745 -0.586 1.00 0.00 H new ATOM 1459 N PRO A 90 2.441 -6.967 3.552 1.00 0.00 N ATOM 1460 CA PRO A 90 1.315 -7.380 4.424 1.00 0.00 C ATOM 1461 C PRO A 90 0.413 -6.194 4.829 1.00 0.00 C ATOM 1462 O PRO A 90 0.898 -5.091 5.072 1.00 0.00 O ATOM 1463 CB PRO A 90 2.022 -8.018 5.648 1.00 0.00 C ATOM 1464 CG PRO A 90 3.378 -7.385 5.684 1.00 0.00 C ATOM 1465 CD PRO A 90 3.753 -7.148 4.240 1.00 0.00 C ATOM 0 HA PRO A 90 0.633 -8.067 3.923 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.471 -7.823 6.568 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.094 -9.100 5.542 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.359 -6.449 6.243 1.00 0.00 H new ATOM 0 HG3 PRO A 90 4.102 -8.035 6.175 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.386 -6.267 4.131 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.307 -7.991 3.828 1.00 0.00 H new ATOM 1473 N VAL A 91 -0.898 -6.451 4.910 1.00 0.00 N ATOM 1474 CA VAL A 91 -1.915 -5.427 5.185 1.00 0.00 C ATOM 1475 C VAL A 91 -2.486 -5.643 6.597 1.00 0.00 C ATOM 1476 O VAL A 91 -3.002 -6.723 6.908 1.00 0.00 O ATOM 1477 CB VAL A 91 -3.054 -5.471 4.103 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -4.132 -4.406 4.374 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -2.473 -5.324 2.669 1.00 0.00 C ATOM 0 H VAL A 91 -1.287 -7.385 4.785 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.455 -4.440 5.137 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.532 -6.448 4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.903 -4.466 3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.579 -4.582 5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.678 -3.415 4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.285 -5.358 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.950 -4.371 2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.776 -6.139 2.473 1.00 0.00 H new ATOM 1489 N VAL A 92 -2.372 -4.610 7.451 1.00 0.00 N ATOM 1490 CA VAL A 92 -2.743 -4.675 8.870 1.00 0.00 C ATOM 1491 C VAL A 92 -3.930 -3.748 9.133 1.00 0.00 C ATOM 1492 O VAL A 92 -3.767 -2.528 9.211 1.00 0.00 O ATOM 1493 CB VAL A 92 -1.525 -4.288 9.789 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -1.836 -4.523 11.286 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.259 -5.049 9.354 1.00 0.00 C ATOM 0 H VAL A 92 -2.015 -3.697 7.169 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.029 -5.699 9.111 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.342 -3.220 9.668 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.970 -4.244 11.886 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.692 -3.915 11.580 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.066 -5.576 11.449 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.573 -4.770 10.000 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.435 -6.122 9.432 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.018 -4.795 8.322 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.120 -4.335 9.236 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.356 -3.595 9.479 1.00 0.00 C ATOM 1507 C TYR A 93 -6.443 -3.153 10.948 1.00 0.00 C ATOM 1508 O TYR A 93 -6.691 -3.970 11.845 1.00 0.00 O ATOM 1509 CB TYR A 93 -7.567 -4.469 9.096 1.00 0.00 C ATOM 1510 CG TYR A 93 -7.586 -4.899 7.612 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -7.903 -3.988 6.607 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -7.285 -6.210 7.222 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -7.925 -4.367 5.279 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -7.306 -6.585 5.892 1.00 0.00 C ATOM 1515 CZ TYR A 93 -7.627 -5.659 4.928 1.00 0.00 C ATOM 1516 OH TYR A 93 -7.662 -6.029 3.601 1.00 0.00 O ATOM 0 H TYR A 93 -5.255 -5.343 9.153 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.361 -2.697 8.861 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.571 -5.361 9.722 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.483 -3.920 9.317 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.136 -2.967 6.871 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.032 -6.942 7.975 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.177 -3.645 4.516 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.071 -7.601 5.611 1.00 0.00 H new ATOM 0 HH TYR A 93 -7.425 -6.976 3.519 1.00 0.00 H new ATOM 1526 N ILE A 94 -6.199 -1.859 11.188 1.00 0.00 N ATOM 1527 CA ILE A 94 -6.309 -1.244 12.517 1.00 0.00 C ATOM 1528 C ILE A 94 -7.574 -0.380 12.531 1.00 0.00 C ATOM 1529 O ILE A 94 -7.777 0.409 11.618 1.00 0.00 O ATOM 1530 CB ILE A 94 -5.037 -0.357 12.840 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -3.729 -1.209 12.768 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -5.160 0.342 14.214 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -3.698 -2.421 13.702 1.00 0.00 C ATOM 0 H ILE A 94 -5.917 -1.203 10.459 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.367 -2.021 13.279 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.983 0.422 12.079 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.594 -1.555 11.743 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.880 -0.566 13.002 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.268 0.941 14.399 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.038 0.988 14.216 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.261 -0.410 14.997 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.752 -2.949 13.581 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.798 -2.087 14.735 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.522 -3.091 13.456 1.00 0.00 H new