USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 596 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: B 47 ASN : amide:sc= 0.0647 X(o=0.14,f=-0.025) USER MOD Set 1.2: B 51 ASN : amide:sc= 0.0705 X(o=0.14,f=0) USER MOD Set 2.1: A 47 ASN : amide:sc= 0.00116 K(o=0.88,f=-0.015) USER MOD Set 2.2: A 51 ASN : amide:sc= 0.883 K(o=0.88,f=-0.0065) USER MOD Single : A 15 THR OG1 : rot 19:sc= 1.19 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.00671 USER MOD Single : A 29 THR OG1 : rot 80:sc= 0.22 USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0176) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0491) USER MOD Single : A 37 SER OG : rot -38:sc= 0.0516 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -174:sc= 0.00641 USER MOD Single : B 15 THR OG1 : rot 12:sc= 0.648 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 29 THR OG1 : rot 72:sc= 1.21 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0588) USER MOD Single : B 37 SER OG : rot -23:sc= 0.298 USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 44 TYR OH : rot -161:sc= 0.604 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 15 13.217 -0.225 -4.285 1.00 0.00 N ATOM 235 CA THR A 15 11.850 -0.052 -3.865 1.00 0.00 C ATOM 236 C THR A 15 11.045 -1.295 -4.251 1.00 0.00 C ATOM 237 O THR A 15 11.563 -2.344 -4.640 1.00 0.00 O ATOM 238 CB THR A 15 11.327 1.254 -4.516 1.00 0.00 C ATOM 239 OG1 THR A 15 10.197 1.787 -3.862 1.00 0.00 O ATOM 240 CG2 THR A 15 10.915 1.087 -5.983 1.00 0.00 C ATOM 0 HA THR A 15 11.754 0.049 -2.784 1.00 0.00 H new ATOM 0 HB THR A 15 12.183 1.924 -4.430 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.138 1.416 -2.957 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.560 2.041 -6.372 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.774 0.754 -6.566 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.118 0.346 -6.055 1.00 0.00 H new ATOM 248 N VAL A 16 9.741 -1.162 -4.090 1.00 0.00 N ATOM 249 CA VAL A 16 8.721 -2.134 -4.394 1.00 0.00 C ATOM 250 C VAL A 16 7.594 -1.285 -4.940 1.00 0.00 C ATOM 251 O VAL A 16 7.407 -0.161 -4.474 1.00 0.00 O ATOM 252 CB VAL A 16 8.247 -2.885 -3.138 1.00 0.00 C ATOM 253 CG1 VAL A 16 7.527 -4.169 -3.582 1.00 0.00 C ATOM 254 CG2 VAL A 16 9.383 -3.185 -2.164 1.00 0.00 C ATOM 0 H VAL A 16 9.343 -0.302 -3.713 1.00 0.00 H new ATOM 0 HA VAL A 16 9.076 -2.903 -5.080 1.00 0.00 H new ATOM 0 HB VAL A 16 7.558 -2.244 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.183 -4.716 -2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.672 -3.909 -4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.215 -4.794 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.989 -3.716 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.132 -3.803 -2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.841 -2.250 -1.840 1.00 0.00 H new ATOM 264 N VAL A 17 6.865 -1.768 -5.932 1.00 0.00 N ATOM 265 CA VAL A 17 5.761 -1.033 -6.487 1.00 0.00 C ATOM 266 C VAL A 17 4.661 -2.034 -6.727 1.00 0.00 C ATOM 267 O VAL A 17 4.841 -3.021 -7.452 1.00 0.00 O ATOM 268 CB VAL A 17 6.195 -0.221 -7.708 1.00 0.00 C ATOM 269 CG1 VAL A 17 6.766 -1.034 -8.869 1.00 0.00 C ATOM 270 CG2 VAL A 17 5.021 0.627 -8.203 1.00 0.00 C ATOM 0 H VAL A 17 7.027 -2.676 -6.367 1.00 0.00 H new ATOM 0 HA VAL A 17 5.380 -0.269 -5.809 1.00 0.00 H new ATOM 0 HB VAL A 17 7.021 0.400 -7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.042 -0.363 -9.682 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.648 -1.579 -8.533 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.016 -1.742 -9.221 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.331 1.205 -9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.192 -0.025 -8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.703 1.305 -7.411 1.00 0.00 H new ATOM 280 N ARG A 18 3.536 -1.794 -6.064 1.00 0.00 N ATOM 281 CA ARG A 18 2.388 -2.673 -6.210 1.00 0.00 C ATOM 282 C ARG A 18 1.129 -1.842 -6.282 1.00 0.00 C ATOM 283 O ARG A 18 1.101 -0.677 -5.870 1.00 0.00 O ATOM 284 CB ARG A 18 2.383 -3.708 -5.066 1.00 0.00 C ATOM 285 CG ARG A 18 1.220 -4.707 -5.140 1.00 0.00 C ATOM 286 CD ARG A 18 1.404 -5.881 -4.179 1.00 0.00 C ATOM 287 NE ARG A 18 2.392 -6.849 -4.682 1.00 0.00 N ATOM 288 CZ ARG A 18 2.156 -7.834 -5.556 1.00 0.00 C ATOM 289 NH1 ARG A 18 0.931 -8.030 -6.043 1.00 0.00 N ATOM 290 NH2 ARG A 18 3.157 -8.612 -5.947 1.00 0.00 N ATOM 0 H ARG A 18 3.397 -1.008 -5.429 1.00 0.00 H new ATOM 0 HA ARG A 18 2.443 -3.240 -7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.324 -4.258 -5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.338 -3.182 -4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.287 -4.193 -4.908 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.132 -5.084 -6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.724 -5.508 -3.206 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.448 -6.382 -4.030 1.00 0.00 H new ATOM 0 HE ARG A 18 3.346 -6.761 -4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.163 -7.426 -5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.761 -8.784 -6.709 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.097 -8.457 -5.582 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.987 -9.366 -6.613 1.00 0.00 H new ATOM 304 N THR A 19 0.081 -2.419 -6.845 1.00 0.00 N ATOM 305 CA THR A 19 -1.215 -1.790 -6.963 1.00 0.00 C ATOM 306 C THR A 19 -1.981 -2.534 -5.877 1.00 0.00 C ATOM 307 O THR A 19 -2.388 -3.688 -6.041 1.00 0.00 O ATOM 308 CB THR A 19 -1.761 -1.930 -8.382 1.00 0.00 C ATOM 309 OG1 THR A 19 -0.775 -1.537 -9.319 1.00 0.00 O ATOM 310 CG2 THR A 19 -2.970 -1.025 -8.586 1.00 0.00 C ATOM 0 H THR A 19 0.113 -3.359 -7.240 1.00 0.00 H new ATOM 0 HA THR A 19 -1.253 -0.710 -6.820 1.00 0.00 H new ATOM 0 HB THR A 19 -2.043 -2.973 -8.527 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.131 -1.631 -10.227 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.343 -1.140 -9.604 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.753 -1.299 -7.879 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.680 0.013 -8.422 1.00 0.00 H new ATOM 318 N LEU A 20 -2.061 -1.899 -4.717 1.00 0.00 N ATOM 319 CA LEU A 20 -2.695 -2.400 -3.515 1.00 0.00 C ATOM 320 C LEU A 20 -3.973 -1.640 -3.200 1.00 0.00 C ATOM 321 O LEU A 20 -3.944 -0.587 -2.567 1.00 0.00 O ATOM 322 CB LEU A 20 -1.681 -2.299 -2.365 1.00 0.00 C ATOM 323 CG LEU A 20 -2.179 -2.836 -1.012 1.00 0.00 C ATOM 324 CD1 LEU A 20 -2.420 -4.343 -1.070 1.00 0.00 C ATOM 325 CD2 LEU A 20 -1.112 -2.538 0.043 1.00 0.00 C ATOM 0 H LEU A 20 -1.662 -0.969 -4.586 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.988 -3.440 -3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.780 -2.844 -2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.396 -1.254 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.123 -2.352 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.771 -4.693 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.172 -4.562 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.489 -4.851 -1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.444 -2.911 1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.179 -3.029 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.951 -1.462 0.104 1.00 0.00 H new ATOM 337 N ARG A 21 -5.094 -2.154 -3.694 1.00 0.00 N ATOM 338 CA ARG A 21 -6.404 -1.609 -3.450 1.00 0.00 C ATOM 339 C ARG A 21 -6.774 -1.767 -1.974 1.00 0.00 C ATOM 340 O ARG A 21 -6.279 -2.686 -1.310 1.00 0.00 O ATOM 341 CB ARG A 21 -7.436 -2.403 -4.277 1.00 0.00 C ATOM 342 CG ARG A 21 -7.880 -1.771 -5.589 1.00 0.00 C ATOM 343 CD ARG A 21 -6.914 -1.898 -6.746 1.00 0.00 C ATOM 344 NE ARG A 21 -7.520 -1.407 -7.992 1.00 0.00 N ATOM 345 CZ ARG A 21 -7.001 -1.528 -9.218 1.00 0.00 C ATOM 346 NH1 ARG A 21 -5.900 -2.233 -9.435 1.00 0.00 N ATOM 347 NH2 ARG A 21 -7.590 -0.914 -10.229 1.00 0.00 N ATOM 0 H ARG A 21 -5.106 -2.982 -4.289 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.403 -0.554 -3.724 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.017 -3.385 -4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.319 -2.564 -3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.829 -2.220 -5.883 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.069 -0.712 -5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.007 -1.333 -6.531 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.620 -2.941 -6.866 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.418 -0.930 -7.914 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.430 -2.697 -8.658 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.522 -2.311 -10.379 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.429 -0.357 -10.068 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.205 -0.997 -11.170 1.00 0.00 H new ATOM 361 N PHE A 22 -7.677 -0.922 -1.490 1.00 0.00 N ATOM 362 CA PHE A 22 -8.217 -0.930 -0.127 1.00 0.00 C ATOM 363 C PHE A 22 -9.725 -0.840 -0.324 1.00 0.00 C ATOM 364 O PHE A 22 -10.164 -0.266 -1.322 1.00 0.00 O ATOM 365 CB PHE A 22 -7.685 0.209 0.753 1.00 0.00 C ATOM 366 CG PHE A 22 -6.234 0.045 1.173 1.00 0.00 C ATOM 367 CD1 PHE A 22 -5.202 0.373 0.275 1.00 0.00 C ATOM 368 CD2 PHE A 22 -5.903 -0.454 2.450 1.00 0.00 C ATOM 369 CE1 PHE A 22 -3.857 0.207 0.645 1.00 0.00 C ATOM 370 CE2 PHE A 22 -4.557 -0.591 2.829 1.00 0.00 C ATOM 371 CZ PHE A 22 -3.530 -0.267 1.926 1.00 0.00 C ATOM 0 H PHE A 22 -8.074 -0.176 -2.061 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.912 -1.827 0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.791 1.150 0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.304 0.282 1.647 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.445 0.755 -0.705 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.687 -0.732 3.139 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.072 0.445 -0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.311 -0.947 3.818 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.496 -0.382 2.215 1.00 0.00 H new ATOM 381 N SER A 23 -10.513 -1.451 0.557 1.00 0.00 N ATOM 382 CA SER A 23 -11.970 -1.437 0.437 1.00 0.00 C ATOM 383 C SER A 23 -12.501 -0.061 0.896 1.00 0.00 C ATOM 384 O SER A 23 -11.738 0.704 1.487 1.00 0.00 O ATOM 385 CB SER A 23 -12.501 -2.628 1.252 1.00 0.00 C ATOM 386 OG SER A 23 -11.615 -3.749 1.207 1.00 0.00 O ATOM 0 H SER A 23 -10.165 -1.965 1.366 1.00 0.00 H new ATOM 0 HA SER A 23 -12.317 -1.557 -0.589 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.645 -2.322 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.478 -2.923 0.868 1.00 0.00 H new ATOM 0 HG SER A 23 -11.989 -4.483 1.738 1.00 0.00 H new ATOM 392 N PRO A 24 -13.783 0.291 0.691 1.00 0.00 N ATOM 393 CA PRO A 24 -14.300 1.602 1.090 1.00 0.00 C ATOM 394 C PRO A 24 -14.341 1.808 2.602 1.00 0.00 C ATOM 395 O PRO A 24 -14.235 2.945 3.066 1.00 0.00 O ATOM 396 CB PRO A 24 -15.705 1.688 0.496 1.00 0.00 C ATOM 397 CG PRO A 24 -16.122 0.225 0.408 1.00 0.00 C ATOM 398 CD PRO A 24 -14.822 -0.479 0.031 1.00 0.00 C ATOM 0 HA PRO A 24 -13.638 2.387 0.723 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.379 2.263 1.131 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.702 2.168 -0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.519 -0.140 1.356 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.897 0.070 -0.342 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.821 -1.516 0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.678 -0.494 -1.049 1.00 0.00 H new ATOM 406 N VAL A 25 -14.568 0.748 3.376 1.00 0.00 N ATOM 407 CA VAL A 25 -14.613 0.820 4.830 1.00 0.00 C ATOM 408 C VAL A 25 -13.180 0.975 5.325 1.00 0.00 C ATOM 409 O VAL A 25 -12.901 1.882 6.105 1.00 0.00 O ATOM 410 CB VAL A 25 -15.321 -0.422 5.387 1.00 0.00 C ATOM 411 CG1 VAL A 25 -15.181 -0.487 6.912 1.00 0.00 C ATOM 412 CG2 VAL A 25 -16.803 -0.428 4.979 1.00 0.00 C ATOM 0 H VAL A 25 -14.726 -0.189 3.007 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.189 1.676 5.181 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.845 -1.306 4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.690 -1.375 7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.125 -0.534 7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -15.628 0.402 7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.288 -1.316 5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.292 0.463 5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.881 -0.435 3.892 1.00 0.00 H new ATOM 422 N GLU A 26 -12.281 0.122 4.833 1.00 0.00 N ATOM 423 CA GLU A 26 -10.873 0.116 5.174 1.00 0.00 C ATOM 424 C GLU A 26 -10.283 1.497 4.877 1.00 0.00 C ATOM 425 O GLU A 26 -9.590 2.056 5.720 1.00 0.00 O ATOM 426 CB GLU A 26 -10.194 -0.995 4.354 1.00 0.00 C ATOM 427 CG GLU A 26 -10.394 -2.429 4.878 1.00 0.00 C ATOM 428 CD GLU A 26 -11.808 -2.816 5.335 1.00 0.00 C ATOM 429 OE1 GLU A 26 -12.764 -2.786 4.524 1.00 0.00 O ATOM 430 OE2 GLU A 26 -11.951 -3.260 6.494 1.00 0.00 O ATOM 0 H GLU A 26 -12.530 -0.606 4.163 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.713 -0.087 6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.568 -0.946 3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.124 -0.789 4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.091 -3.121 4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.714 -2.581 5.716 1.00 0.00 H new ATOM 437 N ASP A 27 -10.590 2.061 3.705 1.00 0.00 N ATOM 438 CA ASP A 27 -10.113 3.372 3.285 1.00 0.00 C ATOM 439 C ASP A 27 -10.601 4.472 4.200 1.00 0.00 C ATOM 440 O ASP A 27 -9.812 5.312 4.605 1.00 0.00 O ATOM 441 CB ASP A 27 -10.598 3.707 1.875 1.00 0.00 C ATOM 442 CG ASP A 27 -10.079 5.081 1.425 1.00 0.00 C ATOM 443 OD1 ASP A 27 -8.861 5.334 1.565 1.00 0.00 O ATOM 444 OD2 ASP A 27 -10.842 5.864 0.809 1.00 0.00 O ATOM 0 H ASP A 27 -11.187 1.608 3.013 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.025 3.319 3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.259 2.940 1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.688 3.700 1.850 1.00 0.00 H new ATOM 449 N GLU A 28 -11.897 4.478 4.505 1.00 0.00 N ATOM 450 CA GLU A 28 -12.513 5.470 5.368 1.00 0.00 C ATOM 451 C GLU A 28 -11.837 5.422 6.739 1.00 0.00 C ATOM 452 O GLU A 28 -11.431 6.462 7.250 1.00 0.00 O ATOM 453 CB GLU A 28 -14.009 5.162 5.404 1.00 0.00 C ATOM 454 CG GLU A 28 -14.878 6.076 6.271 1.00 0.00 C ATOM 455 CD GLU A 28 -16.297 5.509 6.284 1.00 0.00 C ATOM 456 OE1 GLU A 28 -16.471 4.310 6.635 1.00 0.00 O ATOM 457 OE2 GLU A 28 -17.236 6.184 5.815 1.00 0.00 O ATOM 0 H GLU A 28 -12.554 3.782 4.152 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.387 6.490 5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.389 5.200 4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.137 4.138 5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.480 6.130 7.284 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.877 7.091 5.874 1.00 0.00 H new ATOM 464 N THR A 29 -11.680 4.228 7.316 1.00 0.00 N ATOM 465 CA THR A 29 -11.043 4.037 8.610 1.00 0.00 C ATOM 466 C THR A 29 -9.613 4.578 8.552 1.00 0.00 C ATOM 467 O THR A 29 -9.257 5.447 9.344 1.00 0.00 O ATOM 468 CB THR A 29 -11.106 2.540 8.966 1.00 0.00 C ATOM 469 OG1 THR A 29 -12.459 2.161 9.128 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.370 2.166 10.253 1.00 0.00 C ATOM 0 H THR A 29 -11.998 3.359 6.887 1.00 0.00 H new ATOM 0 HA THR A 29 -11.558 4.588 9.397 1.00 0.00 H new ATOM 0 HB THR A 29 -10.614 2.019 8.144 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.866 2.019 8.248 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.465 1.094 10.428 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.316 2.426 10.158 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.804 2.711 11.092 1.00 0.00 H new ATOM 478 N ILE A 30 -8.806 4.106 7.601 1.00 0.00 N ATOM 479 CA ILE A 30 -7.421 4.524 7.448 1.00 0.00 C ATOM 480 C ILE A 30 -7.342 6.038 7.232 1.00 0.00 C ATOM 481 O ILE A 30 -6.469 6.680 7.802 1.00 0.00 O ATOM 482 CB ILE A 30 -6.734 3.671 6.360 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.611 2.219 6.892 1.00 0.00 C ATOM 484 CG2 ILE A 30 -5.350 4.246 6.000 1.00 0.00 C ATOM 485 CD1 ILE A 30 -6.255 1.177 5.828 1.00 0.00 C ATOM 0 H ILE A 30 -9.103 3.416 6.911 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.858 4.340 8.363 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.330 3.683 5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.851 2.196 7.673 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.555 1.936 7.357 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.887 3.627 5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.465 5.263 5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.718 4.255 6.888 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.190 0.192 6.291 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.026 1.166 5.057 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.295 1.430 5.378 1.00 0.00 H new ATOM 497 N ARG A 31 -8.228 6.630 6.430 1.00 0.00 N ATOM 498 CA ARG A 31 -8.259 8.068 6.168 1.00 0.00 C ATOM 499 C ARG A 31 -8.488 8.805 7.479 1.00 0.00 C ATOM 500 O ARG A 31 -7.758 9.755 7.760 1.00 0.00 O ATOM 501 CB ARG A 31 -9.350 8.375 5.129 1.00 0.00 C ATOM 502 CG ARG A 31 -9.738 9.859 5.036 1.00 0.00 C ATOM 503 CD ARG A 31 -10.758 10.014 3.911 1.00 0.00 C ATOM 504 NE ARG A 31 -11.442 11.316 3.949 1.00 0.00 N ATOM 505 CZ ARG A 31 -12.221 11.793 2.970 1.00 0.00 C ATOM 506 NH1 ARG A 31 -12.475 11.062 1.887 1.00 0.00 N ATOM 507 NH2 ARG A 31 -12.735 13.009 3.087 1.00 0.00 N ATOM 0 H ARG A 31 -8.956 6.114 5.936 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.309 8.407 5.754 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.007 8.040 4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.240 7.794 5.372 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.159 10.202 5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.858 10.471 4.838 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.256 9.899 2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.497 9.216 3.982 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.314 11.895 4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.075 10.128 1.797 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.070 11.436 1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.535 13.569 3.916 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.330 13.384 2.348 1.00 0.00 H new ATOM 521 N LYS A 32 -9.499 8.394 8.250 1.00 0.00 N ATOM 522 CA LYS A 32 -9.819 9.008 9.532 1.00 0.00 C ATOM 523 C LYS A 32 -8.602 8.918 10.445 1.00 0.00 C ATOM 524 O LYS A 32 -8.159 9.941 10.953 1.00 0.00 O ATOM 525 CB LYS A 32 -11.050 8.337 10.182 1.00 0.00 C ATOM 526 CG LYS A 32 -12.377 9.076 9.933 1.00 0.00 C ATOM 527 CD LYS A 32 -12.910 8.920 8.500 1.00 0.00 C ATOM 528 CE LYS A 32 -14.268 9.591 8.259 1.00 0.00 C ATOM 529 NZ LYS A 32 -14.289 11.017 8.633 1.00 0.00 N ATOM 0 H LYS A 32 -10.118 7.623 7.997 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.073 10.056 9.372 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.137 7.319 9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.884 8.263 11.257 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.126 8.705 10.633 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.238 10.136 10.147 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.182 9.339 7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.996 7.858 8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.531 9.495 7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.033 9.062 8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.217 11.424 8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.118 11.111 9.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.547 11.524 8.110 1.00 0.00 H new ATOM 543 N LYS A 33 -8.035 7.726 10.638 1.00 0.00 N ATOM 544 CA LYS A 33 -6.887 7.517 11.511 1.00 0.00 C ATOM 545 C LYS A 33 -5.680 8.325 11.073 1.00 0.00 C ATOM 546 O LYS A 33 -5.011 8.904 11.929 1.00 0.00 O ATOM 547 CB LYS A 33 -6.528 6.027 11.586 1.00 0.00 C ATOM 548 CG LYS A 33 -7.305 5.263 12.662 1.00 0.00 C ATOM 549 CD LYS A 33 -8.779 4.991 12.337 1.00 0.00 C ATOM 550 CE LYS A 33 -9.535 4.497 13.568 1.00 0.00 C ATOM 551 NZ LYS A 33 -8.955 3.261 14.125 1.00 0.00 N ATOM 0 H LYS A 33 -8.366 6.873 10.187 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.173 7.866 12.503 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.718 5.567 10.616 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.460 5.928 11.782 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.807 4.310 12.838 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.253 5.827 13.593 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.245 5.902 11.962 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.848 4.248 11.543 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.528 5.275 14.332 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.577 4.319 13.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.577 2.891 14.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.860 2.552 13.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.018 3.467 14.526 1.00 0.00 H new ATOM 565 N ALA A 34 -5.401 8.359 9.773 1.00 0.00 N ATOM 566 CA ALA A 34 -4.287 9.077 9.194 1.00 0.00 C ATOM 567 C ALA A 34 -4.447 10.580 9.428 1.00 0.00 C ATOM 568 O ALA A 34 -3.517 11.256 9.868 1.00 0.00 O ATOM 569 CB ALA A 34 -4.201 8.731 7.703 1.00 0.00 C ATOM 0 H ALA A 34 -5.966 7.870 9.078 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.354 8.780 9.672 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.365 9.266 7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.050 7.658 7.587 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.127 9.023 7.208 1.00 0.00 H new ATOM 575 N GLU A 35 -5.624 11.128 9.136 1.00 0.00 N ATOM 576 CA GLU A 35 -5.867 12.555 9.330 1.00 0.00 C ATOM 577 C GLU A 35 -5.852 12.914 10.820 1.00 0.00 C ATOM 578 O GLU A 35 -5.411 14.004 11.191 1.00 0.00 O ATOM 579 CB GLU A 35 -7.184 12.981 8.657 1.00 0.00 C ATOM 580 CG GLU A 35 -7.379 14.497 8.800 1.00 0.00 C ATOM 581 CD GLU A 35 -8.404 15.085 7.836 1.00 0.00 C ATOM 582 OE1 GLU A 35 -9.578 14.666 7.874 1.00 0.00 O ATOM 583 OE2 GLU A 35 -8.068 16.049 7.111 1.00 0.00 O ATOM 0 H GLU A 35 -6.420 10.609 8.766 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.059 13.109 8.852 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.169 12.706 7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.022 12.453 9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.688 14.718 9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.421 14.993 8.642 1.00 0.00 H new ATOM 590 N ASP A 36 -6.297 11.998 11.680 1.00 0.00 N ATOM 591 CA ASP A 36 -6.368 12.191 13.123 1.00 0.00 C ATOM 592 C ASP A 36 -4.962 12.216 13.683 1.00 0.00 C ATOM 593 O ASP A 36 -4.626 13.091 14.478 1.00 0.00 O ATOM 594 CB ASP A 36 -7.194 11.094 13.801 1.00 0.00 C ATOM 595 CG ASP A 36 -7.642 11.554 15.182 1.00 0.00 C ATOM 596 OD1 ASP A 36 -8.613 12.345 15.227 1.00 0.00 O ATOM 597 OD2 ASP A 36 -7.069 11.076 16.186 1.00 0.00 O ATOM 0 H ASP A 36 -6.626 11.079 11.382 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.867 13.139 13.325 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.064 10.853 13.190 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.602 10.183 13.887 1.00 0.00 H new ATOM 602 N SER A 37 -4.126 11.280 13.235 1.00 0.00 N ATOM 603 CA SER A 37 -2.732 11.155 13.630 1.00 0.00 C ATOM 604 C SER A 37 -1.882 12.231 12.936 1.00 0.00 C ATOM 605 O SER A 37 -0.712 12.424 13.266 1.00 0.00 O ATOM 606 CB SER A 37 -2.262 9.746 13.233 1.00 0.00 C ATOM 607 OG SER A 37 -0.965 9.477 13.711 1.00 0.00 O ATOM 0 H SER A 37 -4.414 10.567 12.565 1.00 0.00 H new ATOM 0 HA SER A 37 -2.623 11.298 14.705 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.957 9.005 13.629 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.277 9.649 12.147 1.00 0.00 H new ATOM 0 HG SER A 37 -0.417 10.286 13.643 1.00 0.00 H new ATOM 613 N GLY A 38 -2.455 12.952 11.968 1.00 0.00 N ATOM 614 CA GLY A 38 -1.774 13.979 11.206 1.00 0.00 C ATOM 615 C GLY A 38 -0.806 13.360 10.192 1.00 0.00 C ATOM 616 O GLY A 38 -0.269 14.090 9.364 1.00 0.00 O ATOM 0 H GLY A 38 -3.429 12.827 11.693 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.506 14.596 10.685 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.227 14.636 11.882 1.00 0.00 H new ATOM 620 N LEU A 39 -0.584 12.043 10.202 1.00 0.00 N ATOM 621 CA LEU A 39 0.310 11.325 9.314 1.00 0.00 C ATOM 622 C LEU A 39 -0.485 10.947 8.084 1.00 0.00 C ATOM 623 O LEU A 39 -1.490 10.258 8.212 1.00 0.00 O ATOM 624 CB LEU A 39 0.866 10.048 9.977 1.00 0.00 C ATOM 625 CG LEU A 39 1.811 10.272 11.174 1.00 0.00 C ATOM 626 CD1 LEU A 39 2.395 8.924 11.609 1.00 0.00 C ATOM 627 CD2 LEU A 39 2.969 11.223 10.851 1.00 0.00 C ATOM 0 H LEU A 39 -1.050 11.425 10.866 1.00 0.00 H new ATOM 0 HA LEU A 39 1.161 11.959 9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.026 9.439 10.310 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.398 9.471 9.221 1.00 0.00 H new ATOM 0 HG LEU A 39 1.220 10.729 11.968 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.065 9.074 12.456 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.586 8.254 11.900 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.950 8.484 10.781 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.599 11.341 11.732 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.561 10.811 10.034 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.571 12.194 10.557 1.00 0.00 H new ATOM 639 N THR A 40 -0.076 11.426 6.915 1.00 0.00 N ATOM 640 CA THR A 40 -0.718 11.137 5.634 1.00 0.00 C ATOM 641 C THR A 40 -0.952 9.621 5.499 1.00 0.00 C ATOM 642 O THR A 40 -0.179 8.831 6.037 1.00 0.00 O ATOM 643 CB THR A 40 0.159 11.741 4.521 1.00 0.00 C ATOM 644 OG1 THR A 40 -0.332 11.445 3.226 1.00 0.00 O ATOM 645 CG2 THR A 40 1.606 11.243 4.621 1.00 0.00 C ATOM 0 H THR A 40 0.732 12.042 6.827 1.00 0.00 H new ATOM 0 HA THR A 40 -1.706 11.592 5.558 1.00 0.00 H new ATOM 0 HB THR A 40 0.127 12.820 4.669 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.255 11.850 2.553 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.200 11.687 3.822 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.024 11.530 5.586 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.624 10.157 4.526 1.00 0.00 H new ATOM 653 N VAL A 41 -1.980 9.196 4.756 1.00 0.00 N ATOM 654 CA VAL A 41 -2.347 7.792 4.553 1.00 0.00 C ATOM 655 C VAL A 41 -1.123 6.937 4.211 1.00 0.00 C ATOM 656 O VAL A 41 -0.936 5.874 4.798 1.00 0.00 O ATOM 657 CB VAL A 41 -3.497 7.701 3.520 1.00 0.00 C ATOM 658 CG1 VAL A 41 -3.747 6.278 2.996 1.00 0.00 C ATOM 659 CG2 VAL A 41 -4.814 8.216 4.130 1.00 0.00 C ATOM 0 H VAL A 41 -2.598 9.841 4.264 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.727 7.370 5.483 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.177 8.320 2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.566 6.294 2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.845 5.905 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.007 5.624 3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.611 8.144 3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.072 7.613 5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.693 9.256 4.433 1.00 0.00 H new ATOM 669 N SER A 42 -0.255 7.396 3.311 1.00 0.00 N ATOM 670 CA SER A 42 0.936 6.645 2.937 1.00 0.00 C ATOM 671 C SER A 42 1.867 6.420 4.142 1.00 0.00 C ATOM 672 O SER A 42 2.319 5.293 4.362 1.00 0.00 O ATOM 673 CB SER A 42 1.635 7.360 1.781 1.00 0.00 C ATOM 674 OG SER A 42 0.753 7.436 0.670 1.00 0.00 O ATOM 0 H SER A 42 -0.357 8.288 2.827 1.00 0.00 H new ATOM 0 HA SER A 42 0.645 5.650 2.600 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.938 8.361 2.088 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.542 6.824 1.503 1.00 0.00 H new ATOM 0 HG SER A 42 1.200 7.896 -0.071 1.00 0.00 H new ATOM 680 N ALA A 43 2.147 7.473 4.921 1.00 0.00 N ATOM 681 CA ALA A 43 2.991 7.403 6.108 1.00 0.00 C ATOM 682 C ALA A 43 2.318 6.521 7.156 1.00 0.00 C ATOM 683 O ALA A 43 2.975 5.687 7.763 1.00 0.00 O ATOM 684 CB ALA A 43 3.230 8.795 6.704 1.00 0.00 C ATOM 0 H ALA A 43 1.785 8.409 4.737 1.00 0.00 H new ATOM 0 HA ALA A 43 3.953 6.982 5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.863 8.709 7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.723 9.427 5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.275 9.240 6.984 1.00 0.00 H new ATOM 690 N TYR A 44 1.012 6.699 7.360 1.00 0.00 N ATOM 691 CA TYR A 44 0.211 5.950 8.308 1.00 0.00 C ATOM 692 C TYR A 44 0.350 4.451 8.035 1.00 0.00 C ATOM 693 O TYR A 44 0.682 3.696 8.946 1.00 0.00 O ATOM 694 CB TYR A 44 -1.243 6.423 8.241 1.00 0.00 C ATOM 695 CG TYR A 44 -2.109 5.687 9.232 1.00 0.00 C ATOM 696 CD1 TYR A 44 -2.167 6.123 10.566 1.00 0.00 C ATOM 697 CD2 TYR A 44 -2.774 4.510 8.843 1.00 0.00 C ATOM 698 CE1 TYR A 44 -2.878 5.377 11.517 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.509 3.771 9.783 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.554 4.197 11.131 1.00 0.00 C ATOM 701 OH TYR A 44 -4.254 3.486 12.052 1.00 0.00 O ATOM 0 H TYR A 44 0.471 7.395 6.847 1.00 0.00 H new ATOM 0 HA TYR A 44 0.566 6.128 9.323 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.288 7.494 8.441 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.630 6.270 7.234 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.664 7.033 10.859 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.719 4.174 7.818 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.909 5.704 12.546 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.038 2.880 9.478 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.577 2.654 11.647 1.00 0.00 H new ATOM 711 N ILE A 45 0.144 4.035 6.779 1.00 0.00 N ATOM 712 CA ILE A 45 0.238 2.650 6.333 1.00 0.00 C ATOM 713 C ILE A 45 1.606 2.069 6.684 1.00 0.00 C ATOM 714 O ILE A 45 1.696 1.139 7.483 1.00 0.00 O ATOM 715 CB ILE A 45 -0.046 2.554 4.807 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.540 2.760 4.476 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.470 1.238 4.183 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.452 1.589 4.830 1.00 0.00 C ATOM 0 H ILE A 45 -0.100 4.678 6.026 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.517 2.059 6.852 1.00 0.00 H new ATOM 0 HB ILE A 45 0.516 3.372 4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.893 3.647 5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.635 2.964 3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.244 1.228 3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.548 1.166 4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.017 0.391 4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.479 1.833 4.559 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.133 0.701 4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.396 1.395 5.901 1.00 0.00 H new ATOM 730 N ARG A 46 2.674 2.592 6.070 1.00 0.00 N ATOM 731 CA ARG A 46 4.017 2.082 6.308 1.00 0.00 C ATOM 732 C ARG A 46 4.377 2.103 7.787 1.00 0.00 C ATOM 733 O ARG A 46 4.878 1.099 8.267 1.00 0.00 O ATOM 734 CB ARG A 46 5.034 2.765 5.384 1.00 0.00 C ATOM 735 CG ARG A 46 5.320 4.226 5.739 1.00 0.00 C ATOM 736 CD ARG A 46 5.951 4.986 4.573 1.00 0.00 C ATOM 737 NE ARG A 46 6.545 6.235 5.062 1.00 0.00 N ATOM 738 CZ ARG A 46 7.667 6.802 4.620 1.00 0.00 C ATOM 739 NH1 ARG A 46 8.178 6.476 3.439 1.00 0.00 N ATOM 740 NH2 ARG A 46 8.258 7.734 5.360 1.00 0.00 N ATOM 0 H ARG A 46 2.628 3.366 5.407 1.00 0.00 H new ATOM 0 HA ARG A 46 4.047 1.026 6.039 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.969 2.205 5.414 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.667 2.717 4.359 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.391 4.716 6.031 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.986 4.266 6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.714 4.371 4.096 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.197 5.202 3.816 1.00 0.00 H new ATOM 0 HE ARG A 46 6.051 6.716 5.814 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.711 5.782 2.855 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.038 6.919 3.115 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.852 8.008 6.255 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.117 8.176 5.033 1.00 0.00 H new ATOM 754 N ASN A 47 4.095 3.185 8.512 1.00 0.00 N ATOM 755 CA ASN A 47 4.401 3.279 9.933 1.00 0.00 C ATOM 756 C ASN A 47 3.704 2.153 10.697 1.00 0.00 C ATOM 757 O ASN A 47 4.367 1.409 11.416 1.00 0.00 O ATOM 758 CB ASN A 47 3.993 4.656 10.465 1.00 0.00 C ATOM 759 CG ASN A 47 4.287 4.767 11.948 1.00 0.00 C ATOM 760 OD1 ASN A 47 5.444 4.850 12.351 1.00 0.00 O ATOM 761 ND2 ASN A 47 3.258 4.795 12.769 1.00 0.00 N ATOM 0 H ASN A 47 3.649 4.018 8.129 1.00 0.00 H new ATOM 0 HA ASN A 47 5.475 3.166 10.081 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.531 5.434 9.924 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.930 4.820 10.287 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.409 4.888 13.773 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.310 4.724 12.401 1.00 0.00 H new ATOM 768 N ALA A 48 2.390 1.991 10.514 1.00 0.00 N ATOM 769 CA ALA A 48 1.621 0.949 11.184 1.00 0.00 C ATOM 770 C ALA A 48 2.108 -0.458 10.818 1.00 0.00 C ATOM 771 O ALA A 48 1.993 -1.369 11.632 1.00 0.00 O ATOM 772 CB ALA A 48 0.133 1.084 10.825 1.00 0.00 C ATOM 0 H ALA A 48 1.833 2.581 9.896 1.00 0.00 H new ATOM 0 HA ALA A 48 1.763 1.082 12.257 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.435 0.302 11.329 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.231 2.061 11.144 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.008 0.985 9.747 1.00 0.00 H new ATOM 778 N ALA A 49 2.628 -0.641 9.602 1.00 0.00 N ATOM 779 CA ALA A 49 3.108 -1.924 9.115 1.00 0.00 C ATOM 780 C ALA A 49 4.527 -2.287 9.554 1.00 0.00 C ATOM 781 O ALA A 49 4.847 -3.461 9.669 1.00 0.00 O ATOM 782 CB ALA A 49 3.115 -1.901 7.587 1.00 0.00 C ATOM 0 H ALA A 49 2.726 0.113 8.922 1.00 0.00 H new ATOM 0 HA ALA A 49 2.431 -2.666 9.539 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.474 -2.859 7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.104 -1.723 7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.773 -1.105 7.238 1.00 0.00 H new ATOM 788 N LEU A 50 5.410 -1.310 9.725 1.00 0.00 N ATOM 789 CA LEU A 50 6.801 -1.569 10.092 1.00 0.00 C ATOM 790 C LEU A 50 7.012 -1.799 11.567 1.00 0.00 C ATOM 791 O LEU A 50 7.843 -2.622 11.945 1.00 0.00 O ATOM 792 CB LEU A 50 7.648 -0.362 9.693 1.00 0.00 C ATOM 793 CG LEU A 50 7.743 -0.237 8.172 1.00 0.00 C ATOM 794 CD1 LEU A 50 8.068 1.206 7.832 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.803 -1.172 7.594 1.00 0.00 C ATOM 0 H LEU A 50 5.186 -0.321 9.614 1.00 0.00 H new ATOM 0 HA LEU A 50 7.089 -2.482 9.570 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.212 0.546 10.109 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.648 -0.459 10.117 1.00 0.00 H new ATOM 0 HG LEU A 50 6.790 -0.526 7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.140 1.317 6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.280 1.856 8.212 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.018 1.483 8.290 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.841 -1.054 6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.776 -0.926 8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.550 -2.204 7.838 1.00 0.00 H new ATOM 807 N ASN A 51 6.335 -0.997 12.381 1.00 0.00 N ATOM 808 CA ASN A 51 6.467 -1.098 13.826 1.00 0.00 C ATOM 809 C ASN A 51 5.813 -2.374 14.292 1.00 0.00 C ATOM 810 O ASN A 51 6.550 -3.261 14.776 1.00 0.00 O ATOM 811 CB ASN A 51 5.922 0.136 14.540 1.00 0.00 C ATOM 812 CG ASN A 51 6.742 1.367 14.194 1.00 0.00 C ATOM 813 OD1 ASN A 51 7.860 1.559 14.671 1.00 0.00 O ATOM 814 ND2 ASN A 51 6.243 2.196 13.303 1.00 0.00 N ATOM 0 H ASN A 51 5.691 -0.272 12.064 1.00 0.00 H new ATOM 0 HA ASN A 51 7.525 -1.136 14.086 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.882 0.295 14.257 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.938 -0.026 15.618 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.784 3.007 13.002 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.315 2.028 12.913 1.00 0.00 H new ATOM 1055 N THR B 15 -13.325 1.127 -4.044 1.00 0.00 N ATOM 1056 CA THR B 15 -11.948 0.789 -3.768 1.00 0.00 C ATOM 1057 C THR B 15 -11.074 2.023 -4.026 1.00 0.00 C ATOM 1058 O THR B 15 -11.464 2.970 -4.721 1.00 0.00 O ATOM 1059 CB THR B 15 -11.538 -0.395 -4.659 1.00 0.00 C ATOM 1060 OG1 THR B 15 -10.507 -1.158 -4.094 1.00 0.00 O ATOM 1061 CG2 THR B 15 -11.094 0.009 -6.068 1.00 0.00 C ATOM 0 HA THR B 15 -11.818 0.492 -2.727 1.00 0.00 H new ATOM 0 HB THR B 15 -12.452 -0.984 -4.734 1.00 0.00 H new ATOM 0 HG1 THR B 15 -10.378 -0.892 -3.160 1.00 0.00 H new ATOM 0 HG21 THR B 15 -10.821 -0.882 -6.633 1.00 0.00 H new ATOM 0 HG22 THR B 15 -11.911 0.523 -6.574 1.00 0.00 H new ATOM 0 HG23 THR B 15 -10.233 0.674 -6.001 1.00 0.00 H new ATOM 1069 N VAL B 16 -9.850 1.964 -3.526 1.00 0.00 N ATOM 1070 CA VAL B 16 -8.832 2.999 -3.649 1.00 0.00 C ATOM 1071 C VAL B 16 -7.732 2.395 -4.489 1.00 0.00 C ATOM 1072 O VAL B 16 -7.447 1.221 -4.310 1.00 0.00 O ATOM 1073 CB VAL B 16 -8.227 3.315 -2.271 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -7.312 4.548 -2.311 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -9.291 3.516 -1.206 1.00 0.00 C ATOM 0 H VAL B 16 -9.522 1.155 -2.998 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.257 3.908 -4.075 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.631 2.442 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.907 4.733 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.493 4.371 -3.008 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.885 5.416 -2.637 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -8.813 3.737 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -9.937 4.347 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -9.888 2.609 -1.112 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.081 3.138 -5.370 1.00 0.00 N ATOM 1086 CA VAL B 17 -6.000 2.594 -6.172 1.00 0.00 C ATOM 1087 C VAL B 17 -4.891 3.633 -6.149 1.00 0.00 C ATOM 1088 O VAL B 17 -5.033 4.738 -6.674 1.00 0.00 O ATOM 1089 CB VAL B 17 -6.506 2.127 -7.547 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -7.089 3.240 -8.408 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -5.389 1.403 -8.301 1.00 0.00 C ATOM 0 H VAL B 17 -7.284 4.122 -5.547 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.579 1.671 -5.773 1.00 0.00 H new ATOM 0 HB VAL B 17 -7.331 1.443 -7.347 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -7.422 2.827 -9.360 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -7.936 3.693 -7.893 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.327 3.998 -8.588 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -5.758 1.077 -9.273 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.547 2.080 -8.442 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.065 0.535 -7.726 1.00 0.00 H new ATOM 1101 N ARG B 18 -3.809 3.312 -5.442 1.00 0.00 N ATOM 1102 CA ARG B 18 -2.668 4.226 -5.332 1.00 0.00 C ATOM 1103 C ARG B 18 -1.371 3.469 -5.547 1.00 0.00 C ATOM 1104 O ARG B 18 -1.265 2.291 -5.202 1.00 0.00 O ATOM 1105 CB ARG B 18 -2.700 5.004 -3.995 1.00 0.00 C ATOM 1106 CG ARG B 18 -1.681 6.162 -3.985 1.00 0.00 C ATOM 1107 CD ARG B 18 -1.585 6.959 -2.683 1.00 0.00 C ATOM 1108 NE ARG B 18 -2.652 7.958 -2.532 1.00 0.00 N ATOM 1109 CZ ARG B 18 -2.603 9.247 -2.897 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -1.662 9.713 -3.716 1.00 0.00 N ATOM 1111 NH2 ARG B 18 -3.505 10.100 -2.435 1.00 0.00 N ATOM 0 H ARG B 18 -3.696 2.432 -4.939 1.00 0.00 H new ATOM 0 HA ARG B 18 -2.736 4.978 -6.118 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -3.702 5.399 -3.828 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.485 4.323 -3.172 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -0.696 5.755 -4.212 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -1.935 6.850 -4.791 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -1.621 6.269 -1.840 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -0.618 7.461 -2.643 1.00 0.00 H new ATOM 0 HE ARG B 18 -3.521 7.637 -2.105 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -0.950 9.083 -4.085 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -1.653 10.700 -3.974 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -4.236 9.776 -1.802 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -3.468 11.081 -2.712 1.00 0.00 H new ATOM 1125 N THR B 19 -0.371 4.163 -6.078 1.00 0.00 N ATOM 1126 CA THR B 19 0.951 3.641 -6.364 1.00 0.00 C ATOM 1127 C THR B 19 1.812 3.819 -5.124 1.00 0.00 C ATOM 1128 O THR B 19 2.611 4.750 -4.992 1.00 0.00 O ATOM 1129 CB THR B 19 1.519 4.358 -7.586 1.00 0.00 C ATOM 1130 OG1 THR B 19 0.565 4.329 -8.633 1.00 0.00 O ATOM 1131 CG2 THR B 19 2.831 3.738 -8.067 1.00 0.00 C ATOM 0 H THR B 19 -0.468 5.147 -6.330 1.00 0.00 H new ATOM 0 HA THR B 19 0.921 2.578 -6.603 1.00 0.00 H new ATOM 0 HB THR B 19 1.734 5.386 -7.295 1.00 0.00 H new ATOM 0 HG1 THR B 19 0.927 4.790 -9.418 1.00 0.00 H new ATOM 0 HG21 THR B 19 3.194 4.284 -8.938 1.00 0.00 H new ATOM 0 HG22 THR B 19 3.573 3.792 -7.270 1.00 0.00 H new ATOM 0 HG23 THR B 19 2.663 2.695 -8.336 1.00 0.00 H new ATOM 1139 N LEU B 20 1.551 2.957 -4.157 1.00 0.00 N ATOM 1140 CA LEU B 20 2.267 2.929 -2.899 1.00 0.00 C ATOM 1141 C LEU B 20 3.495 2.055 -3.135 1.00 0.00 C ATOM 1142 O LEU B 20 3.401 1.017 -3.799 1.00 0.00 O ATOM 1143 CB LEU B 20 1.353 2.422 -1.774 1.00 0.00 C ATOM 1144 CG LEU B 20 1.878 2.752 -0.368 1.00 0.00 C ATOM 1145 CD1 LEU B 20 1.946 4.268 -0.147 1.00 0.00 C ATOM 1146 CD2 LEU B 20 0.927 2.150 0.667 1.00 0.00 C ATOM 0 H LEU B 20 0.823 2.246 -4.228 1.00 0.00 H new ATOM 0 HA LEU B 20 2.586 3.919 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU B 20 0.362 2.859 -1.896 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.239 1.342 -1.867 1.00 0.00 H new ATOM 0 HG LEU B 20 2.881 2.337 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU B 20 2.321 4.473 0.856 1.00 0.00 H new ATOM 0 HD12 LEU B 20 2.616 4.713 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.950 4.697 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU B 20 1.289 2.378 1.670 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.069 2.574 0.536 1.00 0.00 H new ATOM 0 HD23 LEU B 20 0.882 1.069 0.534 1.00 0.00 H new ATOM 1158 N ARG B 21 4.636 2.501 -2.626 1.00 0.00 N ATOM 1159 CA ARG B 21 5.942 1.877 -2.722 1.00 0.00 C ATOM 1160 C ARG B 21 6.610 1.845 -1.350 1.00 0.00 C ATOM 1161 O ARG B 21 6.141 2.545 -0.451 1.00 0.00 O ATOM 1162 CB ARG B 21 6.775 2.703 -3.710 1.00 0.00 C ATOM 1163 CG ARG B 21 6.130 2.773 -5.103 1.00 0.00 C ATOM 1164 CD ARG B 21 7.195 3.158 -6.123 1.00 0.00 C ATOM 1165 NE ARG B 21 6.654 3.268 -7.490 1.00 0.00 N ATOM 1166 CZ ARG B 21 7.386 3.425 -8.601 1.00 0.00 C ATOM 1167 NH1 ARG B 21 8.688 3.670 -8.511 1.00 0.00 N ATOM 1168 NH2 ARG B 21 6.802 3.334 -9.791 1.00 0.00 N ATOM 0 H ARG B 21 4.671 3.372 -2.097 1.00 0.00 H new ATOM 0 HA ARG B 21 5.855 0.848 -3.070 1.00 0.00 H new ATOM 0 HB2 ARG B 21 6.901 3.713 -3.320 1.00 0.00 H new ATOM 0 HB3 ARG B 21 7.771 2.267 -3.795 1.00 0.00 H new ATOM 0 HG2 ARG B 21 5.690 1.810 -5.363 1.00 0.00 H new ATOM 0 HG3 ARG B 21 5.322 3.505 -5.108 1.00 0.00 H new ATOM 0 HD2 ARG B 21 7.642 4.109 -5.835 1.00 0.00 H new ATOM 0 HD3 ARG B 21 7.992 2.414 -6.110 1.00 0.00 H new ATOM 0 HE ARG B 21 5.641 3.221 -7.599 1.00 0.00 H new ATOM 0 HH11 ARG B 21 9.132 3.739 -7.595 1.00 0.00 H new ATOM 0 HH12 ARG B 21 9.244 3.789 -9.358 1.00 0.00 H new ATOM 0 HH21 ARG B 21 5.802 3.146 -9.855 1.00 0.00 H new ATOM 0 HH22 ARG B 21 7.354 3.453 -10.640 1.00 0.00 H new ATOM 1182 N PHE B 22 7.689 1.078 -1.184 1.00 0.00 N ATOM 1183 CA PHE B 22 8.431 0.943 0.077 1.00 0.00 C ATOM 1184 C PHE B 22 9.940 0.985 -0.192 1.00 0.00 C ATOM 1185 O PHE B 22 10.355 1.197 -1.334 1.00 0.00 O ATOM 1186 CB PHE B 22 7.977 -0.335 0.815 1.00 0.00 C ATOM 1187 CG PHE B 22 6.501 -0.344 1.201 1.00 0.00 C ATOM 1188 CD1 PHE B 22 5.526 -0.755 0.269 1.00 0.00 C ATOM 1189 CD2 PHE B 22 6.093 0.065 2.487 1.00 0.00 C ATOM 1190 CE1 PHE B 22 4.160 -0.726 0.605 1.00 0.00 C ATOM 1191 CE2 PHE B 22 4.730 0.061 2.833 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.761 -0.320 1.890 1.00 0.00 C ATOM 0 H PHE B 22 8.083 0.518 -1.940 1.00 0.00 H new ATOM 0 HA PHE B 22 8.212 1.783 0.736 1.00 0.00 H new ATOM 0 HB2 PHE B 22 8.180 -1.198 0.182 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.578 -0.453 1.717 1.00 0.00 H new ATOM 0 HD1 PHE B 22 5.830 -1.095 -0.710 1.00 0.00 H new ATOM 0 HD2 PHE B 22 6.830 0.383 3.209 1.00 0.00 H new ATOM 0 HE1 PHE B 22 3.418 -1.016 -0.124 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.427 0.352 3.828 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.713 -0.301 2.151 1.00 0.00 H new ATOM 1202 N SER B 23 10.776 0.837 0.833 1.00 0.00 N ATOM 1203 CA SER B 23 12.237 0.852 0.713 1.00 0.00 C ATOM 1204 C SER B 23 12.787 -0.581 0.863 1.00 0.00 C ATOM 1205 O SER B 23 12.007 -1.468 1.208 1.00 0.00 O ATOM 1206 CB SER B 23 12.839 1.885 1.680 1.00 0.00 C ATOM 1207 OG SER B 23 11.994 2.998 1.925 1.00 0.00 O ATOM 0 H SER B 23 10.453 0.700 1.791 1.00 0.00 H new ATOM 0 HA SER B 23 12.542 1.181 -0.280 1.00 0.00 H new ATOM 0 HB2 SER B 23 13.063 1.395 2.627 1.00 0.00 H new ATOM 0 HB3 SER B 23 13.786 2.241 1.274 1.00 0.00 H new ATOM 0 HG SER B 23 12.435 3.613 2.547 1.00 0.00 H new ATOM 1213 N PRO B 24 14.091 -0.852 0.662 1.00 0.00 N ATOM 1214 CA PRO B 24 14.611 -2.215 0.749 1.00 0.00 C ATOM 1215 C PRO B 24 14.593 -2.808 2.157 1.00 0.00 C ATOM 1216 O PRO B 24 14.356 -4.005 2.301 1.00 0.00 O ATOM 1217 CB PRO B 24 16.019 -2.157 0.149 1.00 0.00 C ATOM 1218 CG PRO B 24 16.457 -0.718 0.389 1.00 0.00 C ATOM 1219 CD PRO B 24 15.151 0.067 0.273 1.00 0.00 C ATOM 0 HA PRO B 24 13.964 -2.898 0.198 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.690 -2.866 0.634 1.00 0.00 H new ATOM 0 HB3 PRO B 24 16.012 -2.401 -0.913 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.915 -0.595 1.370 1.00 0.00 H new ATOM 0 HG3 PRO B 24 17.190 -0.392 -0.349 1.00 0.00 H new ATOM 0 HD2 PRO B 24 15.164 0.943 0.921 1.00 0.00 H new ATOM 0 HD3 PRO B 24 15.001 0.426 -0.745 1.00 0.00 H new ATOM 1227 N VAL B 25 14.878 -2.016 3.191 1.00 0.00 N ATOM 1228 CA VAL B 25 14.874 -2.495 4.573 1.00 0.00 C ATOM 1229 C VAL B 25 13.424 -2.661 5.033 1.00 0.00 C ATOM 1230 O VAL B 25 13.071 -3.649 5.674 1.00 0.00 O ATOM 1231 CB VAL B 25 15.621 -1.476 5.461 1.00 0.00 C ATOM 1232 CG1 VAL B 25 15.554 -1.831 6.953 1.00 0.00 C ATOM 1233 CG2 VAL B 25 17.098 -1.381 5.056 1.00 0.00 C ATOM 0 H VAL B 25 15.117 -1.029 3.095 1.00 0.00 H new ATOM 0 HA VAL B 25 15.379 -3.458 4.649 1.00 0.00 H new ATOM 0 HB VAL B 25 15.119 -0.520 5.308 1.00 0.00 H new ATOM 0 HG11 VAL B 25 16.095 -1.081 7.530 1.00 0.00 H new ATOM 0 HG12 VAL B 25 14.513 -1.855 7.275 1.00 0.00 H new ATOM 0 HG13 VAL B 25 16.006 -2.810 7.115 1.00 0.00 H new ATOM 0 HG21 VAL B 25 17.605 -0.657 5.695 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.570 -2.357 5.168 1.00 0.00 H new ATOM 0 HG23 VAL B 25 17.170 -1.061 4.017 1.00 0.00 H new ATOM 1243 N GLU B 26 12.591 -1.691 4.661 1.00 0.00 N ATOM 1244 CA GLU B 26 11.181 -1.593 4.983 1.00 0.00 C ATOM 1245 C GLU B 26 10.433 -2.806 4.426 1.00 0.00 C ATOM 1246 O GLU B 26 9.700 -3.478 5.145 1.00 0.00 O ATOM 1247 CB GLU B 26 10.631 -0.287 4.400 1.00 0.00 C ATOM 1248 CG GLU B 26 11.453 0.960 4.757 1.00 0.00 C ATOM 1249 CD GLU B 26 11.245 1.495 6.168 1.00 0.00 C ATOM 1250 OE1 GLU B 26 11.892 1.022 7.117 1.00 0.00 O ATOM 1251 OE2 GLU B 26 10.493 2.493 6.295 1.00 0.00 O ATOM 0 H GLU B 26 12.909 -0.907 4.091 1.00 0.00 H new ATOM 0 HA GLU B 26 11.041 -1.584 6.064 1.00 0.00 H new ATOM 0 HB2 GLU B 26 10.584 -0.379 3.315 1.00 0.00 H new ATOM 0 HB3 GLU B 26 9.609 -0.147 4.753 1.00 0.00 H new ATOM 0 HG2 GLU B 26 12.510 0.728 4.626 1.00 0.00 H new ATOM 0 HG3 GLU B 26 11.210 1.751 4.047 1.00 0.00 H new ATOM 1258 N ASP B 27 10.623 -3.086 3.134 1.00 0.00 N ATOM 1259 CA ASP B 27 10.007 -4.201 2.427 1.00 0.00 C ATOM 1260 C ASP B 27 10.425 -5.518 3.040 1.00 0.00 C ATOM 1261 O ASP B 27 9.569 -6.346 3.326 1.00 0.00 O ATOM 1262 CB ASP B 27 10.462 -4.204 0.964 1.00 0.00 C ATOM 1263 CG ASP B 27 10.001 -5.462 0.218 1.00 0.00 C ATOM 1264 OD1 ASP B 27 8.772 -5.710 0.198 1.00 0.00 O ATOM 1265 OD2 ASP B 27 10.831 -6.135 -0.434 1.00 0.00 O ATOM 0 H ASP B 27 11.229 -2.523 2.537 1.00 0.00 H new ATOM 0 HA ASP B 27 8.926 -4.084 2.497 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.069 -3.321 0.461 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.549 -4.137 0.923 1.00 0.00 H new ATOM 1270 N GLU B 28 11.727 -5.707 3.237 1.00 0.00 N ATOM 1271 CA GLU B 28 12.267 -6.921 3.810 1.00 0.00 C ATOM 1272 C GLU B 28 11.662 -7.131 5.201 1.00 0.00 C ATOM 1273 O GLU B 28 11.204 -8.229 5.492 1.00 0.00 O ATOM 1274 CB GLU B 28 13.789 -6.799 3.771 1.00 0.00 C ATOM 1275 CG GLU B 28 14.563 -8.084 4.073 1.00 0.00 C ATOM 1276 CD GLU B 28 16.039 -7.883 3.717 1.00 0.00 C ATOM 1277 OE1 GLU B 28 16.603 -6.818 4.077 1.00 0.00 O ATOM 1278 OE2 GLU B 28 16.615 -8.745 3.018 1.00 0.00 O ATOM 0 H GLU B 28 12.436 -5.013 3.000 1.00 0.00 H new ATOM 0 HA GLU B 28 12.005 -7.819 3.251 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.082 -6.443 2.783 1.00 0.00 H new ATOM 0 HB3 GLU B 28 14.093 -6.036 4.488 1.00 0.00 H new ATOM 0 HG2 GLU B 28 14.464 -8.343 5.127 1.00 0.00 H new ATOM 0 HG3 GLU B 28 14.149 -8.914 3.501 1.00 0.00 H new ATOM 1285 N THR B 29 11.593 -6.089 6.034 1.00 0.00 N ATOM 1286 CA THR B 29 11.019 -6.170 7.373 1.00 0.00 C ATOM 1287 C THR B 29 9.555 -6.603 7.270 1.00 0.00 C ATOM 1288 O THR B 29 9.176 -7.625 7.845 1.00 0.00 O ATOM 1289 CB THR B 29 11.185 -4.819 8.091 1.00 0.00 C ATOM 1290 OG1 THR B 29 12.573 -4.534 8.213 1.00 0.00 O ATOM 1291 CG2 THR B 29 10.526 -4.809 9.474 1.00 0.00 C ATOM 0 H THR B 29 11.938 -5.160 5.793 1.00 0.00 H new ATOM 0 HA THR B 29 11.543 -6.918 7.969 1.00 0.00 H new ATOM 0 HB THR B 29 10.686 -4.054 7.496 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.938 -4.305 7.333 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.671 -3.834 9.939 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.459 -5.006 9.370 1.00 0.00 H new ATOM 0 HG23 THR B 29 10.978 -5.580 10.098 1.00 0.00 H new ATOM 1299 N ILE B 30 8.745 -5.861 6.505 1.00 0.00 N ATOM 1300 CA ILE B 30 7.330 -6.159 6.325 1.00 0.00 C ATOM 1301 C ILE B 30 7.160 -7.591 5.812 1.00 0.00 C ATOM 1302 O ILE B 30 6.280 -8.318 6.259 1.00 0.00 O ATOM 1303 CB ILE B 30 6.651 -5.101 5.422 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.540 -3.754 6.171 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.250 -5.577 4.980 1.00 0.00 C ATOM 1306 CD1 ILE B 30 6.278 -2.557 5.248 1.00 0.00 C ATOM 0 H ILE B 30 9.059 -5.036 5.994 1.00 0.00 H new ATOM 0 HA ILE B 30 6.820 -6.101 7.287 1.00 0.00 H new ATOM 0 HB ILE B 30 7.266 -4.964 4.532 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.735 -3.820 6.903 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.462 -3.579 6.726 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.791 -4.818 4.346 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.342 -6.509 4.422 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.627 -5.740 5.859 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.212 -1.646 5.843 1.00 0.00 H new ATOM 0 HD12 ILE B 30 7.094 -2.464 4.532 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.341 -2.709 4.712 1.00 0.00 H new ATOM 1318 N ARG B 31 7.988 -8.008 4.857 1.00 0.00 N ATOM 1319 CA ARG B 31 7.925 -9.333 4.271 1.00 0.00 C ATOM 1320 C ARG B 31 8.236 -10.403 5.298 1.00 0.00 C ATOM 1321 O ARG B 31 7.549 -11.420 5.306 1.00 0.00 O ATOM 1322 CB ARG B 31 8.859 -9.410 3.064 1.00 0.00 C ATOM 1323 CG ARG B 31 8.691 -10.746 2.347 1.00 0.00 C ATOM 1324 CD ARG B 31 9.560 -10.756 1.101 1.00 0.00 C ATOM 1325 NE ARG B 31 9.524 -12.077 0.478 1.00 0.00 N ATOM 1326 CZ ARG B 31 10.312 -12.485 -0.509 1.00 0.00 C ATOM 1327 NH1 ARG B 31 11.168 -11.650 -1.093 1.00 0.00 N ATOM 1328 NH2 ARG B 31 10.229 -13.742 -0.909 1.00 0.00 N ATOM 0 H ARG B 31 8.728 -7.424 4.468 1.00 0.00 H new ATOM 0 HA ARG B 31 6.908 -9.519 3.926 1.00 0.00 H new ATOM 0 HB2 ARG B 31 8.644 -8.592 2.377 1.00 0.00 H new ATOM 0 HB3 ARG B 31 9.893 -9.291 3.388 1.00 0.00 H new ATOM 0 HG2 ARG B 31 8.973 -11.565 3.008 1.00 0.00 H new ATOM 0 HG3 ARG B 31 7.646 -10.899 2.078 1.00 0.00 H new ATOM 0 HD2 ARG B 31 9.208 -10.003 0.396 1.00 0.00 H new ATOM 0 HD3 ARG B 31 10.586 -10.495 1.361 1.00 0.00 H new ATOM 0 HE ARG B 31 8.835 -12.742 0.831 1.00 0.00 H new ATOM 0 HH11 ARG B 31 11.226 -10.680 -0.783 1.00 0.00 H new ATOM 0 HH12 ARG B 31 11.766 -11.980 -1.850 1.00 0.00 H new ATOM 0 HH21 ARG B 31 9.569 -14.377 -0.461 1.00 0.00 H new ATOM 0 HH22 ARG B 31 10.825 -14.077 -1.666 1.00 0.00 H new ATOM 1342 N LYS B 32 9.270 -10.221 6.121 1.00 0.00 N ATOM 1343 CA LYS B 32 9.614 -11.207 7.134 1.00 0.00 C ATOM 1344 C LYS B 32 8.463 -11.332 8.115 1.00 0.00 C ATOM 1345 O LYS B 32 8.067 -12.453 8.398 1.00 0.00 O ATOM 1346 CB LYS B 32 10.939 -10.885 7.849 1.00 0.00 C ATOM 1347 CG LYS B 32 12.140 -11.553 7.160 1.00 0.00 C ATOM 1348 CD LYS B 32 12.592 -10.846 5.879 1.00 0.00 C ATOM 1349 CE LYS B 32 13.741 -11.598 5.210 1.00 0.00 C ATOM 1350 NZ LYS B 32 13.272 -12.644 4.278 1.00 0.00 N ATOM 0 H LYS B 32 9.878 -9.402 6.103 1.00 0.00 H new ATOM 0 HA LYS B 32 9.774 -12.165 6.640 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.087 -9.805 7.870 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.883 -11.219 8.885 1.00 0.00 H new ATOM 0 HG2 LYS B 32 12.975 -11.586 7.859 1.00 0.00 H new ATOM 0 HG3 LYS B 32 11.882 -12.585 6.922 1.00 0.00 H new ATOM 0 HD2 LYS B 32 11.753 -10.769 5.188 1.00 0.00 H new ATOM 0 HD3 LYS B 32 12.907 -9.829 6.113 1.00 0.00 H new ATOM 0 HE2 LYS B 32 14.367 -10.889 4.669 1.00 0.00 H new ATOM 0 HE3 LYS B 32 14.366 -12.055 5.977 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 14.091 -13.123 3.852 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 12.696 -13.338 4.796 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 12.697 -12.209 3.528 1.00 0.00 H new ATOM 1364 N LYS B 33 7.903 -10.227 8.616 1.00 0.00 N ATOM 1365 CA LYS B 33 6.795 -10.294 9.569 1.00 0.00 C ATOM 1366 C LYS B 33 5.594 -10.973 8.936 1.00 0.00 C ATOM 1367 O LYS B 33 5.015 -11.873 9.550 1.00 0.00 O ATOM 1368 CB LYS B 33 6.404 -8.903 10.083 1.00 0.00 C ATOM 1369 CG LYS B 33 7.192 -8.473 11.321 1.00 0.00 C ATOM 1370 CD LYS B 33 8.658 -8.129 11.041 1.00 0.00 C ATOM 1371 CE LYS B 33 9.364 -7.858 12.364 1.00 0.00 C ATOM 1372 NZ LYS B 33 8.916 -6.607 13.002 1.00 0.00 N ATOM 0 H LYS B 33 8.198 -9.280 8.378 1.00 0.00 H new ATOM 0 HA LYS B 33 7.131 -10.882 10.423 1.00 0.00 H new ATOM 0 HB2 LYS B 33 6.561 -8.173 9.289 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.340 -8.896 10.318 1.00 0.00 H new ATOM 0 HG2 LYS B 33 6.705 -7.605 11.765 1.00 0.00 H new ATOM 0 HG3 LYS B 33 7.153 -9.273 12.060 1.00 0.00 H new ATOM 0 HD2 LYS B 33 9.144 -8.951 10.516 1.00 0.00 H new ATOM 0 HD3 LYS B 33 8.723 -7.255 10.393 1.00 0.00 H new ATOM 0 HE2 LYS B 33 9.186 -8.692 13.043 1.00 0.00 H new ATOM 0 HE3 LYS B 33 10.440 -7.809 12.194 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 9.519 -6.401 13.824 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 8.983 -5.826 12.319 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 7.929 -6.710 13.314 1.00 0.00 H new ATOM 1386 N ALA B 34 5.240 -10.552 7.723 1.00 0.00 N ATOM 1387 CA ALA B 34 4.134 -11.080 6.952 1.00 0.00 C ATOM 1388 C ALA B 34 4.279 -12.599 6.806 1.00 0.00 C ATOM 1389 O ALA B 34 3.369 -13.339 7.176 1.00 0.00 O ATOM 1390 CB ALA B 34 4.060 -10.331 5.620 1.00 0.00 C ATOM 0 H ALA B 34 5.739 -9.806 7.239 1.00 0.00 H new ATOM 0 HA ALA B 34 3.183 -10.920 7.461 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.230 -10.720 5.030 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.905 -9.269 5.808 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.992 -10.470 5.072 1.00 0.00 H new ATOM 1396 N GLU B 35 5.402 -13.052 6.236 1.00 0.00 N ATOM 1397 CA GLU B 35 5.702 -14.465 5.995 1.00 0.00 C ATOM 1398 C GLU B 35 5.772 -15.272 7.292 1.00 0.00 C ATOM 1399 O GLU B 35 5.249 -16.383 7.353 1.00 0.00 O ATOM 1400 CB GLU B 35 7.000 -14.587 5.177 1.00 0.00 C ATOM 1401 CG GLU B 35 7.287 -16.044 4.794 1.00 0.00 C ATOM 1402 CD GLU B 35 8.472 -16.180 3.844 1.00 0.00 C ATOM 1403 OE1 GLU B 35 9.631 -15.920 4.250 1.00 0.00 O ATOM 1404 OE2 GLU B 35 8.263 -16.612 2.683 1.00 0.00 O ATOM 0 H GLU B 35 6.145 -12.428 5.922 1.00 0.00 H new ATOM 0 HA GLU B 35 4.882 -14.894 5.418 1.00 0.00 H new ATOM 0 HB2 GLU B 35 6.921 -13.981 4.274 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.835 -14.190 5.755 1.00 0.00 H new ATOM 0 HG2 GLU B 35 7.483 -16.621 5.698 1.00 0.00 H new ATOM 0 HG3 GLU B 35 6.401 -16.474 4.327 1.00 0.00 H new ATOM 1411 N ASP B 36 6.386 -14.722 8.338 1.00 0.00 N ATOM 1412 CA ASP B 36 6.529 -15.357 9.642 1.00 0.00 C ATOM 1413 C ASP B 36 5.138 -15.613 10.207 1.00 0.00 C ATOM 1414 O ASP B 36 4.860 -16.689 10.739 1.00 0.00 O ATOM 1415 CB ASP B 36 7.334 -14.424 10.552 1.00 0.00 C ATOM 1416 CG ASP B 36 7.200 -14.780 12.021 1.00 0.00 C ATOM 1417 OD1 ASP B 36 7.652 -15.873 12.412 1.00 0.00 O ATOM 1418 OD2 ASP B 36 6.676 -13.933 12.783 1.00 0.00 O ATOM 0 H ASP B 36 6.809 -13.795 8.298 1.00 0.00 H new ATOM 0 HA ASP B 36 7.056 -16.308 9.566 1.00 0.00 H new ATOM 0 HB2 ASP B 36 8.385 -14.464 10.267 1.00 0.00 H new ATOM 0 HB3 ASP B 36 7.001 -13.398 10.399 1.00 0.00 H new ATOM 1423 N SER B 37 4.251 -14.631 10.052 1.00 0.00 N ATOM 1424 CA SER B 37 2.878 -14.687 10.500 1.00 0.00 C ATOM 1425 C SER B 37 2.025 -15.530 9.542 1.00 0.00 C ATOM 1426 O SER B 37 0.859 -15.772 9.843 1.00 0.00 O ATOM 1427 CB SER B 37 2.379 -13.247 10.626 1.00 0.00 C ATOM 1428 OG SER B 37 0.997 -13.111 10.899 1.00 0.00 O ATOM 0 H SER B 37 4.485 -13.750 9.595 1.00 0.00 H new ATOM 0 HA SER B 37 2.801 -15.178 11.470 1.00 0.00 H new ATOM 0 HB2 SER B 37 2.940 -12.753 11.419 1.00 0.00 H new ATOM 0 HB3 SER B 37 2.604 -12.719 9.699 1.00 0.00 H new ATOM 0 HG SER B 37 0.525 -13.920 10.609 1.00 0.00 H new ATOM 1434 N GLY B 38 2.552 -15.955 8.392 1.00 0.00 N ATOM 1435 CA GLY B 38 1.821 -16.774 7.445 1.00 0.00 C ATOM 1436 C GLY B 38 0.798 -16.046 6.583 1.00 0.00 C ATOM 1437 O GLY B 38 -0.066 -16.734 6.037 1.00 0.00 O ATOM 0 H GLY B 38 3.503 -15.735 8.097 1.00 0.00 H new ATOM 0 HA2 GLY B 38 2.540 -17.262 6.787 1.00 0.00 H new ATOM 0 HA3 GLY B 38 1.307 -17.561 7.997 1.00 0.00 H new ATOM 1441 N LEU B 39 0.805 -14.710 6.488 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.141 -13.964 5.673 1.00 0.00 C ATOM 1443 C LEU B 39 0.688 -13.183 4.669 1.00 0.00 C ATOM 1444 O LEU B 39 1.798 -12.727 4.959 1.00 0.00 O ATOM 1445 CB LEU B 39 -1.068 -13.018 6.468 1.00 0.00 C ATOM 1446 CG LEU B 39 -1.621 -13.488 7.829 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -2.596 -12.434 8.354 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -2.378 -14.818 7.780 1.00 0.00 C ATOM 0 H LEU B 39 1.475 -14.120 6.981 1.00 0.00 H new ATOM 0 HA LEU B 39 -0.825 -14.668 5.199 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -0.524 -12.088 6.636 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -1.919 -12.779 5.831 1.00 0.00 H new ATOM 0 HG LEU B 39 -0.751 -13.629 8.471 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -2.995 -12.754 9.317 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -2.075 -11.484 8.475 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -3.415 -12.311 7.645 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -2.732 -15.072 8.779 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -3.230 -14.727 7.106 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -1.712 -15.602 7.420 1.00 0.00 H new ATOM 1460 N THR B 40 0.194 -13.046 3.452 1.00 0.00 N ATOM 1461 CA THR B 40 0.897 -12.299 2.427 1.00 0.00 C ATOM 1462 C THR B 40 0.989 -10.830 2.874 1.00 0.00 C ATOM 1463 O THR B 40 0.104 -10.321 3.562 1.00 0.00 O ATOM 1464 CB THR B 40 0.165 -12.489 1.095 1.00 0.00 C ATOM 1465 OG1 THR B 40 0.822 -11.802 0.047 1.00 0.00 O ATOM 1466 CG2 THR B 40 -1.280 -11.987 1.174 1.00 0.00 C ATOM 0 H THR B 40 -0.695 -13.444 3.149 1.00 0.00 H new ATOM 0 HA THR B 40 1.917 -12.656 2.283 1.00 0.00 H new ATOM 0 HB THR B 40 0.166 -13.559 0.889 1.00 0.00 H new ATOM 0 HG1 THR B 40 0.335 -11.942 -0.792 1.00 0.00 H new ATOM 0 HG21 THR B 40 -1.770 -12.137 0.212 1.00 0.00 H new ATOM 0 HG22 THR B 40 -1.816 -12.541 1.945 1.00 0.00 H new ATOM 0 HG23 THR B 40 -1.283 -10.925 1.422 1.00 0.00 H new ATOM 1474 N VAL B 41 2.018 -10.117 2.424 1.00 0.00 N ATOM 1475 CA VAL B 41 2.265 -8.712 2.726 1.00 0.00 C ATOM 1476 C VAL B 41 1.004 -7.866 2.526 1.00 0.00 C ATOM 1477 O VAL B 41 0.717 -7.032 3.376 1.00 0.00 O ATOM 1478 CB VAL B 41 3.457 -8.201 1.893 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.590 -6.673 1.965 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.752 -8.848 2.397 1.00 0.00 C ATOM 0 H VAL B 41 2.730 -10.519 1.815 1.00 0.00 H new ATOM 0 HA VAL B 41 2.528 -8.616 3.779 1.00 0.00 H new ATOM 0 HB VAL B 41 3.278 -8.475 0.853 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.442 -6.353 1.365 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.681 -6.210 1.581 1.00 0.00 H new ATOM 0 HG13 VAL B 41 3.742 -6.369 3.001 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.594 -8.485 1.807 1.00 0.00 H new ATOM 0 HG22 VAL B 41 4.905 -8.588 3.445 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.680 -9.931 2.299 1.00 0.00 H new ATOM 1490 N SER B 42 0.214 -8.072 1.466 1.00 0.00 N ATOM 1491 CA SER B 42 -0.994 -7.266 1.272 1.00 0.00 C ATOM 1492 C SER B 42 -1.953 -7.380 2.470 1.00 0.00 C ATOM 1493 O SER B 42 -2.522 -6.375 2.901 1.00 0.00 O ATOM 1494 CB SER B 42 -1.678 -7.646 -0.040 1.00 0.00 C ATOM 1495 OG SER B 42 -0.835 -7.331 -1.135 1.00 0.00 O ATOM 0 H SER B 42 0.384 -8.773 0.745 1.00 0.00 H new ATOM 0 HA SER B 42 -0.698 -6.219 1.210 1.00 0.00 H new ATOM 0 HB2 SER B 42 -1.910 -8.711 -0.044 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.624 -7.113 -0.134 1.00 0.00 H new ATOM 0 HG SER B 42 -1.280 -7.579 -1.972 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.142 -8.601 2.983 1.00 0.00 N ATOM 1502 CA ALA B 43 -2.976 -8.898 4.134 1.00 0.00 C ATOM 1503 C ALA B 43 -2.342 -8.224 5.347 1.00 0.00 C ATOM 1504 O ALA B 43 -3.011 -7.473 6.044 1.00 0.00 O ATOM 1505 CB ALA B 43 -3.052 -10.418 4.370 1.00 0.00 C ATOM 0 H ALA B 43 -1.700 -9.432 2.589 1.00 0.00 H new ATOM 0 HA ALA B 43 -3.989 -8.531 3.966 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -3.681 -10.621 5.237 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -3.478 -10.902 3.491 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -2.050 -10.809 4.550 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.042 -8.448 5.568 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.308 -7.880 6.686 1.00 0.00 C ATOM 1513 C TYR B 44 -0.456 -6.352 6.734 1.00 0.00 C ATOM 1514 O TYR B 44 -0.732 -5.809 7.800 1.00 0.00 O ATOM 1515 CB TYR B 44 1.150 -8.330 6.603 1.00 0.00 C ATOM 1516 CG TYR B 44 2.036 -7.750 7.680 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.187 -8.402 8.917 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.718 -6.547 7.438 1.00 0.00 C ATOM 1519 CE1 TYR B 44 3.015 -7.860 9.911 1.00 0.00 C ATOM 1520 CE2 TYR B 44 3.596 -6.033 8.406 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.742 -6.681 9.653 1.00 0.00 C ATOM 1522 OH TYR B 44 4.640 -6.236 10.567 1.00 0.00 O ATOM 0 H TYR B 44 -0.470 -9.037 4.963 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.725 -8.246 7.624 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.187 -9.418 6.663 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.550 -8.051 5.628 1.00 0.00 H new ATOM 0 HD1 TYR B 44 1.661 -9.327 9.103 1.00 0.00 H new ATOM 0 HD2 TYR B 44 2.568 -6.018 6.509 1.00 0.00 H new ATOM 0 HE1 TYR B 44 3.095 -8.346 10.872 1.00 0.00 H new ATOM 0 HE2 TYR B 44 4.163 -5.138 8.196 1.00 0.00 H new ATOM 0 HH TYR B 44 4.830 -5.288 10.405 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.311 -5.669 5.590 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.424 -4.219 5.451 1.00 0.00 C ATOM 1534 C ILE B 45 -1.812 -3.761 5.893 1.00 0.00 C ATOM 1535 O ILE B 45 -1.931 -3.071 6.905 1.00 0.00 O ATOM 1536 CB ILE B 45 -0.125 -3.764 3.994 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.364 -3.886 3.604 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.611 -2.321 3.722 1.00 0.00 C ATOM 1539 CD1 ILE B 45 2.290 -2.860 4.257 1.00 0.00 C ATOM 0 H ILE B 45 -0.104 -6.133 4.706 1.00 0.00 H new ATOM 0 HA ILE B 45 0.322 -3.753 6.095 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.689 -4.455 3.368 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.712 -4.885 3.866 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.449 -3.792 2.521 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.381 -2.047 2.692 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.688 -2.264 3.880 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.107 -1.633 4.401 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.313 -3.028 3.921 1.00 0.00 H new ATOM 0 HD12 ILE B 45 1.976 -1.855 3.975 1.00 0.00 H new ATOM 0 HD13 ILE B 45 2.242 -2.965 5.341 1.00 0.00 H new ATOM 1551 N ARG B 46 -2.856 -4.118 5.127 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.221 -3.712 5.427 1.00 0.00 C ATOM 1553 C ARG B 46 -4.573 -4.048 6.867 1.00 0.00 C ATOM 1554 O ARG B 46 -5.113 -3.200 7.556 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.212 -4.277 4.383 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.687 -5.708 4.678 1.00 0.00 C ATOM 1557 CD ARG B 46 -6.444 -6.374 3.527 1.00 0.00 C ATOM 1558 NE ARG B 46 -7.302 -7.456 4.045 1.00 0.00 N ATOM 1559 CZ ARG B 46 -8.531 -7.348 4.570 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -9.254 -6.242 4.441 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -9.041 -8.370 5.241 1.00 0.00 N ATOM 0 H ARG B 46 -2.769 -4.693 4.289 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.303 -2.628 5.344 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -6.081 -3.621 4.331 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -4.739 -4.258 3.401 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -4.821 -6.320 4.929 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -6.331 -5.690 5.557 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -7.052 -5.635 3.005 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -5.737 -6.775 2.801 1.00 0.00 H new ATOM 0 HE ARG B 46 -6.914 -8.398 3.998 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -8.877 -5.443 3.931 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -10.186 -6.191 4.852 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -8.500 -9.227 5.354 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -9.975 -8.300 5.645 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.234 -5.245 7.335 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.542 -5.667 8.681 1.00 0.00 C ATOM 1577 C ASN B 47 -3.862 -4.800 9.733 1.00 0.00 C ATOM 1578 O ASN B 47 -4.559 -4.351 10.638 1.00 0.00 O ATOM 1579 CB ASN B 47 -4.222 -7.144 8.837 1.00 0.00 C ATOM 1580 CG ASN B 47 -4.708 -7.609 10.187 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -5.916 -7.721 10.401 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -3.799 -7.840 11.107 1.00 0.00 N ATOM 0 H ASN B 47 -3.737 -5.945 6.784 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.610 -5.531 8.852 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.702 -7.719 8.045 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -3.148 -7.309 8.745 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -4.083 -8.125 12.044 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.809 -7.734 10.884 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.559 -4.524 9.606 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.817 -3.694 10.556 1.00 0.00 C ATOM 1591 C ALA B 48 -2.351 -2.259 10.546 1.00 0.00 C ATOM 1592 O ALA B 48 -2.271 -1.562 11.550 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.317 -3.693 10.215 1.00 0.00 C ATOM 0 H ALA B 48 -1.988 -4.873 8.836 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.953 -4.115 11.552 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.219 -3.071 10.932 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.067 -4.712 10.261 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.173 -3.296 9.210 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.886 -1.801 9.410 1.00 0.00 N ATOM 1600 CA ALA B 49 -3.432 -0.455 9.292 1.00 0.00 C ATOM 1601 C ALA B 49 -4.782 -0.302 10.014 1.00 0.00 C ATOM 1602 O ALA B 49 -5.203 0.818 10.307 1.00 0.00 O ATOM 1603 CB ALA B 49 -3.618 -0.110 7.818 1.00 0.00 C ATOM 0 H ALA B 49 -2.950 -2.352 8.554 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.722 0.224 9.765 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -4.026 0.897 7.729 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -2.655 -0.158 7.309 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -4.305 -0.822 7.362 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.487 -1.409 10.258 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.794 -1.432 10.916 1.00 0.00 C ATOM 1611 C LEU B 50 -6.630 -1.849 12.379 1.00 0.00 C ATOM 1612 O LEU B 50 -7.380 -1.383 13.232 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.732 -2.402 10.179 1.00 0.00 C ATOM 1614 CG LEU B 50 -7.859 -2.147 8.656 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.160 -3.466 7.939 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.877 -1.072 8.275 1.00 0.00 C ATOM 0 H LEU B 50 -5.156 -2.338 9.996 1.00 0.00 H new ATOM 0 HA LEU B 50 -7.232 -0.435 10.885 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.375 -3.420 10.335 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.723 -2.339 10.628 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.898 -1.750 8.329 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.249 -3.286 6.868 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.350 -4.173 8.122 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.095 -3.880 8.316 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -8.900 -0.960 7.191 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.865 -1.364 8.630 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.593 -0.124 8.732 1.00 0.00 H new ATOM 1628 N ASN B 51 -5.668 -2.728 12.666 1.00 0.00 N ATOM 1629 CA ASN B 51 -5.342 -3.232 14.003 1.00 0.00 C ATOM 1630 C ASN B 51 -4.066 -2.561 14.491 1.00 0.00 C ATOM 1631 O ASN B 51 -3.077 -3.284 14.754 1.00 0.00 O ATOM 1632 CB ASN B 51 -5.199 -4.763 14.010 1.00 0.00 C ATOM 1633 CG ASN B 51 -6.526 -5.448 13.818 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -7.396 -5.403 14.677 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -6.713 -6.134 12.709 1.00 0.00 N ATOM 0 H ASN B 51 -5.069 -3.126 11.943 1.00 0.00 H new ATOM 0 HA ASN B 51 -6.160 -2.989 14.681 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -4.514 -5.068 13.219 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -4.758 -5.083 14.954 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -7.590 -6.634 12.560 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -5.981 -6.165 11.999 1.00 0.00 H new