USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 ASN : amide:sc= -0.4 K(o=0.55,f=-4.2!) USER MOD Set 1.2: A 90 SER OG : rot 97:sc= 0.955 USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0.372 USER MOD Set 2.2: A 62 ASN : amide:sc= -1.23! C(o=-0.85!,f=-1.7!) USER MOD Set 3.1: A 40 TYR OH : rot 142:sc= 1.05 USER MOD Set 3.2: A 50 GLN : amide:sc= -4.06! C(o=-3!,f=-8.2!) USER MOD Single : A 20 SER OG : rot -79:sc= -0.829 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.149 USER MOD Single : A 34 SER OG : rot 60:sc= -1.1 USER MOD Single : A 43 SER OG : rot 130:sc= -0.715 USER MOD Single : A 51 TYR OH : rot 44:sc= -0.0126 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 165:sc= -0.97 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -2.54! K(o=-2.5!,f=-0.37) USER MOD Single : A 80 SER OG : rot 167:sc= -4.56! USER MOD Single : A 85 GLN : amide:sc= -7.21! K(o=-7.2!,f=-3.2) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -160:sc= -0.351 USER MOD Single : A 93 GLN : amide:sc= -4! K(o=-4!,f=-0.97) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -86:sc= 1.34 USER MOD ----------------------------------------------------------------- ATOM 263 N SER A 20 9.679 -7.872 0.718 1.00 0.00 N ATOM 264 CA SER A 20 8.463 -8.510 0.230 1.00 0.00 C ATOM 265 C SER A 20 7.383 -7.458 0.011 1.00 0.00 C ATOM 266 O SER A 20 6.232 -7.637 0.406 1.00 0.00 O ATOM 267 CB SER A 20 7.973 -9.566 1.227 1.00 0.00 C ATOM 268 OG SER A 20 7.550 -8.932 2.424 1.00 0.00 O ATOM 0 HA SER A 20 8.681 -9.004 -0.717 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.150 -10.135 0.794 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.772 -10.276 1.442 1.00 0.00 H new ATOM 0 HG SER A 20 8.333 -8.705 2.968 1.00 0.00 H new ATOM 274 N SER A 21 7.775 -6.352 -0.618 1.00 0.00 N ATOM 275 CA SER A 21 6.846 -5.260 -0.881 1.00 0.00 C ATOM 276 C SER A 21 5.731 -5.719 -1.808 1.00 0.00 C ATOM 277 O SER A 21 5.882 -6.688 -2.552 1.00 0.00 O ATOM 278 CB SER A 21 7.581 -4.091 -1.544 1.00 0.00 C ATOM 279 OG SER A 21 7.514 -4.241 -2.956 1.00 0.00 O ATOM 0 H SER A 21 8.725 -6.190 -0.953 1.00 0.00 H new ATOM 0 HA SER A 21 6.422 -4.942 0.071 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.130 -3.145 -1.244 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.621 -4.066 -1.217 1.00 0.00 H new ATOM 0 HG SER A 21 7.981 -3.495 -3.387 1.00 0.00 H new ATOM 285 N PHE A 22 4.621 -4.998 -1.772 1.00 0.00 N ATOM 286 CA PHE A 22 3.488 -5.315 -2.628 1.00 0.00 C ATOM 287 C PHE A 22 3.072 -4.104 -3.440 1.00 0.00 C ATOM 288 O PHE A 22 3.278 -2.970 -3.028 1.00 0.00 O ATOM 289 CB PHE A 22 2.252 -5.712 -1.819 1.00 0.00 C ATOM 290 CG PHE A 22 2.397 -7.019 -1.075 1.00 0.00 C ATOM 291 CD1 PHE A 22 3.312 -8.012 -1.470 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.552 -7.246 0.012 1.00 0.00 C ATOM 293 CE1 PHE A 22 3.369 -9.220 -0.768 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.617 -8.448 0.714 1.00 0.00 C ATOM 295 CZ PHE A 22 2.520 -9.435 0.324 1.00 0.00 C ATOM 0 H PHE A 22 4.480 -4.193 -1.162 1.00 0.00 H new ATOM 0 HA PHE A 22 3.818 -6.139 -3.261 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.030 -4.921 -1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.397 -5.782 -2.492 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.967 -7.842 -2.311 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.844 -6.487 0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.068 -9.987 -1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.967 -8.615 1.561 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.565 -10.368 0.866 1.00 0.00 H new ATOM 305 N VAL A 23 2.428 -4.366 -4.563 1.00 0.00 N ATOM 306 CA VAL A 23 1.911 -3.302 -5.402 1.00 0.00 C ATOM 307 C VAL A 23 0.446 -3.597 -5.695 1.00 0.00 C ATOM 308 O VAL A 23 0.127 -4.503 -6.463 1.00 0.00 O ATOM 309 CB VAL A 23 2.706 -3.193 -6.705 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.010 -2.204 -7.645 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.118 -2.691 -6.392 1.00 0.00 C ATOM 0 H VAL A 23 2.251 -5.307 -4.915 1.00 0.00 H new ATOM 0 HA VAL A 23 2.007 -2.348 -4.883 1.00 0.00 H new ATOM 0 HB VAL A 23 2.762 -4.170 -7.184 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.575 -2.125 -8.574 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.002 -2.557 -7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.957 -1.225 -7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.689 -2.611 -7.317 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.059 -1.712 -5.917 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.613 -3.392 -5.719 1.00 0.00 H new ATOM 321 N VAL A 24 -0.440 -2.843 -5.057 1.00 0.00 N ATOM 322 CA VAL A 24 -1.870 -3.051 -5.236 1.00 0.00 C ATOM 323 C VAL A 24 -2.495 -1.879 -5.969 1.00 0.00 C ATOM 324 O VAL A 24 -2.190 -0.719 -5.687 1.00 0.00 O ATOM 325 CB VAL A 24 -2.550 -3.229 -3.877 1.00 0.00 C ATOM 326 CG1 VAL A 24 -4.069 -3.282 -4.071 1.00 0.00 C ATOM 327 CG2 VAL A 24 -2.069 -4.535 -3.239 1.00 0.00 C ATOM 0 H VAL A 24 -0.196 -2.088 -4.416 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.012 -3.953 -5.832 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.297 -2.391 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.555 -3.409 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.410 -2.354 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.324 -4.121 -4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.551 -4.666 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.325 -5.373 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.988 -4.498 -3.104 1.00 0.00 H new ATOM 337 N SER A 25 -3.378 -2.188 -6.908 1.00 0.00 N ATOM 338 CA SER A 25 -4.047 -1.154 -7.675 1.00 0.00 C ATOM 339 C SER A 25 -5.546 -1.374 -7.661 1.00 0.00 C ATOM 340 O SER A 25 -6.024 -2.498 -7.512 1.00 0.00 O ATOM 341 CB SER A 25 -3.547 -1.162 -9.116 1.00 0.00 C ATOM 342 OG SER A 25 -3.947 -2.375 -9.741 1.00 0.00 O ATOM 0 H SER A 25 -3.645 -3.141 -7.154 1.00 0.00 H new ATOM 0 HA SER A 25 -3.823 -0.189 -7.220 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.952 -0.308 -9.659 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.461 -1.068 -9.138 1.00 0.00 H new ATOM 0 HG SER A 25 -3.630 -2.385 -10.668 1.00 0.00 H new ATOM 348 N TRP A 26 -6.281 -0.290 -7.824 1.00 0.00 N ATOM 349 CA TRP A 26 -7.731 -0.362 -7.839 1.00 0.00 C ATOM 350 C TRP A 26 -8.290 0.628 -8.844 1.00 0.00 C ATOM 351 O TRP A 26 -7.559 1.161 -9.677 1.00 0.00 O ATOM 352 CB TRP A 26 -8.281 -0.044 -6.449 1.00 0.00 C ATOM 353 CG TRP A 26 -7.656 1.218 -5.950 1.00 0.00 C ATOM 354 CD1 TRP A 26 -8.148 2.461 -6.147 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.432 1.380 -5.177 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.304 3.377 -5.546 1.00 0.00 N ATOM 357 CE2 TRP A 26 -6.233 2.759 -4.934 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.487 0.473 -4.669 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -5.133 3.223 -4.212 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.379 0.936 -3.942 1.00 0.00 C ATOM 361 CH2 TRP A 26 -4.202 2.308 -3.714 1.00 0.00 C ATOM 0 H TRP A 26 -5.900 0.648 -7.948 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.031 -1.370 -8.124 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.365 0.064 -6.490 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -8.068 -0.865 -5.764 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -9.053 2.700 -6.686 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.455 4.386 -5.554 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.614 -0.586 -4.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -5.002 4.281 -4.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.658 0.231 -3.556 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.347 2.657 -3.154 1.00 0.00 H new ATOM 372 N VAL A 27 -9.586 0.877 -8.759 1.00 0.00 N ATOM 373 CA VAL A 27 -10.221 1.812 -9.667 1.00 0.00 C ATOM 374 C VAL A 27 -11.006 2.844 -8.875 1.00 0.00 C ATOM 375 O VAL A 27 -11.866 2.495 -8.065 1.00 0.00 O ATOM 376 CB VAL A 27 -11.154 1.054 -10.613 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.713 2.014 -11.664 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.371 -0.065 -11.306 1.00 0.00 C ATOM 0 H VAL A 27 -10.212 0.449 -8.077 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.458 2.323 -10.254 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.979 0.625 -10.044 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.377 1.471 -12.336 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.269 2.811 -11.170 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.892 2.446 -12.236 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.033 -0.608 -11.981 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.547 0.366 -11.874 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.976 -0.751 -10.556 1.00 0.00 H new ATOM 388 N SER A 28 -10.708 4.117 -9.103 1.00 0.00 N ATOM 389 CA SER A 28 -11.404 5.177 -8.390 1.00 0.00 C ATOM 390 C SER A 28 -12.909 4.944 -8.454 1.00 0.00 C ATOM 391 O SER A 28 -13.549 5.226 -9.467 1.00 0.00 O ATOM 392 CB SER A 28 -11.065 6.536 -8.997 1.00 0.00 C ATOM 393 OG SER A 28 -9.946 6.397 -9.864 1.00 0.00 O ATOM 0 H SER A 28 -10.001 4.436 -9.765 1.00 0.00 H new ATOM 0 HA SER A 28 -11.083 5.167 -7.348 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.921 6.925 -9.549 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.841 7.254 -8.208 1.00 0.00 H new ATOM 0 HG SER A 28 -9.727 7.268 -10.257 1.00 0.00 H new ATOM 446 N VAL A 33 -13.658 11.529 -4.532 1.00 0.00 N ATOM 447 CA VAL A 33 -12.702 11.182 -3.493 1.00 0.00 C ATOM 448 C VAL A 33 -11.675 12.297 -3.327 1.00 0.00 C ATOM 449 O VAL A 33 -11.196 12.862 -4.310 1.00 0.00 O ATOM 450 CB VAL A 33 -12.000 9.863 -3.844 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.509 9.891 -5.293 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.804 9.652 -2.916 1.00 0.00 C ATOM 0 HA VAL A 33 -13.236 11.057 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.712 9.047 -3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.013 8.949 -5.527 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.358 10.031 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.805 10.713 -5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.308 8.715 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.102 10.477 -3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.148 9.614 -1.882 1.00 0.00 H new ATOM 462 N SER A 34 -11.350 12.610 -2.078 1.00 0.00 N ATOM 463 CA SER A 34 -10.380 13.662 -1.789 1.00 0.00 C ATOM 464 C SER A 34 -8.994 13.054 -1.622 1.00 0.00 C ATOM 465 O SER A 34 -7.981 13.754 -1.660 1.00 0.00 O ATOM 466 CB SER A 34 -10.775 14.403 -0.509 1.00 0.00 C ATOM 467 OG SER A 34 -11.942 15.174 -0.754 1.00 0.00 O ATOM 0 H SER A 34 -11.741 12.154 -1.253 1.00 0.00 H new ATOM 0 HA SER A 34 -10.366 14.368 -2.619 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.958 13.691 0.295 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.960 15.049 -0.183 1.00 0.00 H new ATOM 0 HG SER A 34 -12.673 14.583 -1.031 1.00 0.00 H new ATOM 473 N GLY A 35 -8.968 11.741 -1.444 1.00 0.00 N ATOM 474 CA GLY A 35 -7.719 11.013 -1.280 1.00 0.00 C ATOM 475 C GLY A 35 -8.010 9.542 -1.027 1.00 0.00 C ATOM 476 O GLY A 35 -9.164 9.145 -0.914 1.00 0.00 O ATOM 0 H GLY A 35 -9.803 11.156 -1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.103 11.123 -2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.151 11.429 -0.448 1.00 0.00 H new ATOM 480 N PHE A 36 -6.964 8.736 -0.929 1.00 0.00 N ATOM 481 CA PHE A 36 -7.140 7.313 -0.672 1.00 0.00 C ATOM 482 C PHE A 36 -6.342 6.886 0.545 1.00 0.00 C ATOM 483 O PHE A 36 -5.313 7.478 0.865 1.00 0.00 O ATOM 484 CB PHE A 36 -6.679 6.486 -1.872 1.00 0.00 C ATOM 485 CG PHE A 36 -7.654 6.640 -3.009 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.751 5.777 -3.115 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.456 7.641 -3.962 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.651 5.918 -4.176 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.354 7.783 -5.021 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.453 6.922 -5.129 1.00 0.00 C ATOM 0 H PHE A 36 -5.994 9.037 -1.022 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.201 7.140 -0.494 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.687 6.809 -2.187 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.598 5.436 -1.591 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.902 5.003 -2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.608 8.305 -3.880 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.498 5.253 -4.259 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.201 8.558 -5.758 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.148 7.033 -5.948 1.00 0.00 H new ATOM 500 N ARG A 37 -6.810 5.840 1.205 1.00 0.00 N ATOM 501 CA ARG A 37 -6.112 5.326 2.369 1.00 0.00 C ATOM 502 C ARG A 37 -5.960 3.821 2.242 1.00 0.00 C ATOM 503 O ARG A 37 -6.943 3.098 2.073 1.00 0.00 O ATOM 504 CB ARG A 37 -6.879 5.655 3.650 1.00 0.00 C ATOM 505 CG ARG A 37 -5.965 5.418 4.856 1.00 0.00 C ATOM 506 CD ARG A 37 -6.735 5.695 6.147 1.00 0.00 C ATOM 507 NE ARG A 37 -7.718 4.643 6.380 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.207 4.414 7.595 1.00 0.00 C ATOM 509 NH1 ARG A 37 -7.812 5.137 8.605 1.00 0.00 N ATOM 510 NH2 ARG A 37 -9.086 3.467 7.775 1.00 0.00 N ATOM 0 H ARG A 37 -7.661 5.335 0.958 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.130 5.796 2.422 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.215 6.692 3.631 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.770 5.032 3.725 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.600 4.391 4.852 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.091 6.067 4.796 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.043 5.750 6.988 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.234 6.662 6.082 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.036 4.073 5.597 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.127 5.879 8.464 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.188 4.960 9.537 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.397 2.903 6.984 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.462 3.290 8.707 1.00 0.00 H new ATOM 524 N VAL A 38 -4.724 3.354 2.324 1.00 0.00 N ATOM 525 CA VAL A 38 -4.460 1.925 2.217 1.00 0.00 C ATOM 526 C VAL A 38 -4.046 1.358 3.561 1.00 0.00 C ATOM 527 O VAL A 38 -3.202 1.924 4.252 1.00 0.00 O ATOM 528 CB VAL A 38 -3.362 1.655 1.190 1.00 0.00 C ATOM 529 CG1 VAL A 38 -2.986 0.172 1.226 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.873 2.012 -0.207 1.00 0.00 C ATOM 0 H VAL A 38 -3.896 3.934 2.463 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.379 1.438 1.891 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.487 2.261 1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.202 -0.023 0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.625 -0.088 2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.862 -0.431 0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.090 1.820 -0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.747 1.404 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.146 3.067 -0.236 1.00 0.00 H new ATOM 540 N GLU A 39 -4.636 0.230 3.923 1.00 0.00 N ATOM 541 CA GLU A 39 -4.308 -0.408 5.184 1.00 0.00 C ATOM 542 C GLU A 39 -3.870 -1.845 4.951 1.00 0.00 C ATOM 543 O GLU A 39 -4.530 -2.597 4.235 1.00 0.00 O ATOM 544 CB GLU A 39 -5.522 -0.410 6.111 1.00 0.00 C ATOM 545 CG GLU A 39 -5.105 -0.952 7.480 1.00 0.00 C ATOM 546 CD GLU A 39 -6.338 -1.205 8.341 1.00 0.00 C ATOM 547 OE1 GLU A 39 -7.432 -0.961 7.861 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.169 -1.638 9.469 1.00 0.00 O ATOM 0 H GLU A 39 -5.338 -0.258 3.366 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.496 0.154 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.920 0.600 6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.317 -1.025 5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.541 -1.877 7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.445 -0.240 7.976 1.00 0.00 H new ATOM 555 N TYR A 40 -2.764 -2.227 5.573 1.00 0.00 N ATOM 556 CA TYR A 40 -2.269 -3.584 5.434 1.00 0.00 C ATOM 557 C TYR A 40 -1.796 -4.114 6.781 1.00 0.00 C ATOM 558 O TYR A 40 -1.036 -3.455 7.493 1.00 0.00 O ATOM 559 CB TYR A 40 -1.145 -3.642 4.395 1.00 0.00 C ATOM 560 CG TYR A 40 0.009 -2.753 4.801 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.090 -1.363 4.657 1.00 0.00 C ATOM 562 CD2 TYR A 40 1.185 -3.321 5.304 1.00 0.00 C ATOM 563 CE1 TYR A 40 0.987 -0.542 5.019 1.00 0.00 C ATOM 564 CE2 TYR A 40 2.263 -2.501 5.662 1.00 0.00 C ATOM 565 CZ TYR A 40 2.164 -1.112 5.519 1.00 0.00 C ATOM 566 OH TYR A 40 3.228 -0.304 5.870 1.00 0.00 O ATOM 0 H TYR A 40 -2.200 -1.623 6.171 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.083 -4.219 5.085 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.797 -4.669 4.286 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.526 -3.329 3.423 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.996 -0.924 4.267 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.262 -4.392 5.416 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.909 0.530 4.912 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.171 -2.941 6.048 1.00 0.00 H new ATOM 0 HH TYR A 40 3.660 -0.663 6.673 1.00 0.00 H new ATOM 576 N GLU A 41 -2.263 -5.307 7.122 1.00 0.00 N ATOM 577 CA GLU A 41 -1.906 -5.938 8.384 1.00 0.00 C ATOM 578 C GLU A 41 -1.841 -7.448 8.197 1.00 0.00 C ATOM 579 O GLU A 41 -2.292 -7.969 7.177 1.00 0.00 O ATOM 580 CB GLU A 41 -2.946 -5.587 9.452 1.00 0.00 C ATOM 581 CG GLU A 41 -4.267 -6.286 9.125 1.00 0.00 C ATOM 582 CD GLU A 41 -5.371 -5.778 10.047 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.052 -5.062 10.982 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.519 -6.110 9.803 1.00 0.00 O ATOM 0 H GLU A 41 -2.893 -5.859 6.539 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.931 -5.574 8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.592 -5.896 10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.093 -4.508 9.491 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.537 -6.102 8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.155 -7.364 9.239 1.00 0.00 H new ATOM 591 N LEU A 42 -1.268 -8.151 9.166 1.00 0.00 N ATOM 592 CA LEU A 42 -1.152 -9.600 9.054 1.00 0.00 C ATOM 593 C LEU A 42 -2.487 -10.295 9.263 1.00 0.00 C ATOM 594 O LEU A 42 -3.179 -10.070 10.256 1.00 0.00 O ATOM 595 CB LEU A 42 -0.134 -10.130 10.063 1.00 0.00 C ATOM 596 CG LEU A 42 1.249 -9.611 9.681 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.244 -9.896 10.805 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.711 -10.321 8.407 1.00 0.00 C ATOM 0 H LEU A 42 -0.883 -7.752 10.022 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.814 -9.820 8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.395 -9.804 11.070 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.140 -11.220 10.069 1.00 0.00 H new ATOM 0 HG LEU A 42 1.198 -8.535 9.515 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.228 -9.522 10.523 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.914 -9.399 11.717 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.300 -10.971 10.977 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.699 -9.957 8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.757 -11.395 8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.006 -10.117 7.601 1.00 0.00 H new ATOM 610 N SER A 43 -2.824 -11.161 8.313 1.00 0.00 N ATOM 611 CA SER A 43 -4.061 -11.921 8.378 1.00 0.00 C ATOM 612 C SER A 43 -3.985 -12.922 9.523 1.00 0.00 C ATOM 613 O SER A 43 -5.002 -13.301 10.107 1.00 0.00 O ATOM 614 CB SER A 43 -4.270 -12.669 7.060 1.00 0.00 C ATOM 615 OG SER A 43 -3.442 -13.824 7.040 1.00 0.00 O ATOM 0 H SER A 43 -2.255 -11.352 7.489 1.00 0.00 H new ATOM 0 HA SER A 43 -4.896 -11.240 8.547 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.316 -12.955 6.953 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.029 -12.020 6.218 1.00 0.00 H new ATOM 0 HG SER A 43 -3.978 -14.607 6.795 1.00 0.00 H new ATOM 621 N GLU A 44 -2.762 -13.340 9.839 1.00 0.00 N ATOM 622 CA GLU A 44 -2.537 -14.295 10.914 1.00 0.00 C ATOM 623 C GLU A 44 -2.242 -13.561 12.213 1.00 0.00 C ATOM 624 O GLU A 44 -3.097 -13.466 13.093 1.00 0.00 O ATOM 625 CB GLU A 44 -1.356 -15.201 10.563 1.00 0.00 C ATOM 626 CG GLU A 44 -1.622 -15.888 9.222 1.00 0.00 C ATOM 627 CD GLU A 44 -0.483 -16.847 8.894 1.00 0.00 C ATOM 628 OE1 GLU A 44 0.501 -16.835 9.615 1.00 0.00 O ATOM 629 OE2 GLU A 44 -0.611 -17.578 7.927 1.00 0.00 O ATOM 0 H GLU A 44 -1.914 -13.031 9.365 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.435 -14.900 11.040 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.438 -14.615 10.508 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.212 -15.947 11.344 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.566 -16.432 9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.718 -15.141 8.434 1.00 0.00 H new ATOM 685 N PRO A 49 -1.907 -2.485 12.628 1.00 0.00 N ATOM 686 CA PRO A 49 -2.121 -2.154 11.191 1.00 0.00 C ATOM 687 C PRO A 49 -1.377 -0.888 10.777 1.00 0.00 C ATOM 688 O PRO A 49 -1.080 -0.029 11.608 1.00 0.00 O ATOM 689 CB PRO A 49 -3.631 -1.953 11.088 1.00 0.00 C ATOM 690 CG PRO A 49 -4.059 -1.521 12.450 1.00 0.00 C ATOM 691 CD PRO A 49 -3.102 -2.191 13.436 1.00 0.00 C ATOM 0 HA PRO A 49 -1.743 -2.935 10.531 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.878 -1.200 10.340 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.132 -2.874 10.791 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.017 -0.436 12.544 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.089 -1.818 12.646 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.866 -1.534 14.273 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.533 -3.100 13.856 1.00 0.00 H new ATOM 699 N GLN A 50 -1.095 -0.777 9.487 1.00 0.00 N ATOM 700 CA GLN A 50 -0.400 0.391 8.961 1.00 0.00 C ATOM 701 C GLN A 50 -1.277 1.075 7.924 1.00 0.00 C ATOM 702 O GLN A 50 -1.997 0.408 7.185 1.00 0.00 O ATOM 703 CB GLN A 50 0.930 -0.033 8.330 1.00 0.00 C ATOM 704 CG GLN A 50 1.794 -0.723 9.388 1.00 0.00 C ATOM 705 CD GLN A 50 2.546 -1.894 8.766 1.00 0.00 C ATOM 706 OE1 GLN A 50 3.347 -1.704 7.853 1.00 0.00 O ATOM 707 NE2 GLN A 50 2.331 -3.103 9.209 1.00 0.00 N ATOM 0 H GLN A 50 -1.335 -1.478 8.787 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.194 1.088 9.774 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.750 -0.709 7.494 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.450 0.838 7.930 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.501 -0.011 9.813 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.167 -1.077 10.207 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.666 -3.258 9.967 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.828 -3.893 8.798 1.00 0.00 H new ATOM 716 N TYR A 51 -1.231 2.401 7.874 1.00 0.00 N ATOM 717 CA TYR A 51 -2.055 3.128 6.918 1.00 0.00 C ATOM 718 C TYR A 51 -1.213 4.040 6.035 1.00 0.00 C ATOM 719 O TYR A 51 -0.281 4.695 6.501 1.00 0.00 O ATOM 720 CB TYR A 51 -3.091 3.978 7.655 1.00 0.00 C ATOM 721 CG TYR A 51 -3.825 3.134 8.667 1.00 0.00 C ATOM 722 CD1 TYR A 51 -4.971 2.426 8.289 1.00 0.00 C ATOM 723 CD2 TYR A 51 -3.366 3.071 9.989 1.00 0.00 C ATOM 724 CE1 TYR A 51 -5.658 1.654 9.233 1.00 0.00 C ATOM 725 CE2 TYR A 51 -4.054 2.299 10.934 1.00 0.00 C ATOM 726 CZ TYR A 51 -5.202 1.591 10.555 1.00 0.00 C ATOM 727 OH TYR A 51 -5.880 0.829 11.485 1.00 0.00 O ATOM 0 H TYR A 51 -0.645 2.984 8.471 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.552 2.390 6.289 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.600 4.813 8.154 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.798 4.403 6.943 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.325 2.475 7.270 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.481 3.618 10.280 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.542 1.106 8.941 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.700 2.250 11.953 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.119 -0.035 11.089 1.00 0.00 H new ATOM 737 N LEU A 52 -1.572 4.094 4.759 1.00 0.00 N ATOM 738 CA LEU A 52 -0.876 4.945 3.808 1.00 0.00 C ATOM 739 C LEU A 52 -1.880 5.864 3.135 1.00 0.00 C ATOM 740 O LEU A 52 -2.912 5.411 2.640 1.00 0.00 O ATOM 741 CB LEU A 52 -0.171 4.095 2.754 1.00 0.00 C ATOM 742 CG LEU A 52 0.727 3.074 3.446 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.359 2.155 2.400 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.832 3.804 4.210 1.00 0.00 C ATOM 0 H LEU A 52 -2.342 3.557 4.360 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.129 5.537 4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.906 3.586 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.422 4.730 2.095 1.00 0.00 H new ATOM 0 HG LEU A 52 0.132 2.481 4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.000 1.426 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.574 1.634 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.954 2.749 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.474 3.076 4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.425 4.397 3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.385 4.461 4.957 1.00 0.00 H new ATOM 756 N ASP A 53 -1.586 7.153 3.124 1.00 0.00 N ATOM 757 CA ASP A 53 -2.497 8.111 2.513 1.00 0.00 C ATOM 758 C ASP A 53 -2.008 8.520 1.130 1.00 0.00 C ATOM 759 O ASP A 53 -0.838 8.849 0.940 1.00 0.00 O ATOM 760 CB ASP A 53 -2.638 9.346 3.395 1.00 0.00 C ATOM 761 CG ASP A 53 -3.173 8.944 4.764 1.00 0.00 C ATOM 762 OD1 ASP A 53 -3.645 7.825 4.887 1.00 0.00 O ATOM 763 OD2 ASP A 53 -3.100 9.757 5.671 1.00 0.00 O ATOM 0 H ASP A 53 -0.739 7.557 3.523 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.470 7.631 2.410 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.672 9.840 3.502 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.312 10.063 2.927 1.00 0.00 H new ATOM 768 N LEU A 54 -2.918 8.482 0.168 1.00 0.00 N ATOM 769 CA LEU A 54 -2.589 8.835 -1.204 1.00 0.00 C ATOM 770 C LEU A 54 -3.611 9.840 -1.735 1.00 0.00 C ATOM 771 O LEU A 54 -4.738 9.901 -1.243 1.00 0.00 O ATOM 772 CB LEU A 54 -2.606 7.570 -2.066 1.00 0.00 C ATOM 773 CG LEU A 54 -2.030 6.396 -1.270 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.377 5.091 -1.977 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.511 6.538 -1.180 1.00 0.00 C ATOM 0 H LEU A 54 -3.890 8.210 0.313 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.597 9.286 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.626 7.345 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.022 7.728 -2.973 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.454 6.392 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.969 4.252 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.460 4.990 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.951 5.096 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.100 5.702 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.086 6.540 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.262 7.473 -0.679 1.00 0.00 H new ATOM 787 N PRO A 55 -3.248 10.625 -2.712 1.00 0.00 N ATOM 788 CA PRO A 55 -4.164 11.644 -3.300 1.00 0.00 C ATOM 789 C PRO A 55 -5.315 11.014 -4.080 1.00 0.00 C ATOM 790 O PRO A 55 -5.217 9.882 -4.551 1.00 0.00 O ATOM 791 CB PRO A 55 -3.268 12.473 -4.224 1.00 0.00 C ATOM 792 CG PRO A 55 -2.063 11.634 -4.503 1.00 0.00 C ATOM 793 CD PRO A 55 -1.928 10.629 -3.359 1.00 0.00 C ATOM 0 HA PRO A 55 -4.644 12.241 -2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.789 12.725 -5.148 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.986 13.414 -3.751 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.168 11.117 -5.457 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.171 12.256 -4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.665 9.638 -3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.145 10.926 -2.661 1.00 0.00 H new ATOM 801 N SER A 56 -6.402 11.764 -4.219 1.00 0.00 N ATOM 802 CA SER A 56 -7.563 11.275 -4.953 1.00 0.00 C ATOM 803 C SER A 56 -7.152 10.861 -6.360 1.00 0.00 C ATOM 804 O SER A 56 -7.921 10.232 -7.086 1.00 0.00 O ATOM 805 CB SER A 56 -8.642 12.357 -5.033 1.00 0.00 C ATOM 806 OG SER A 56 -8.069 13.556 -5.536 1.00 0.00 O ATOM 0 H SER A 56 -6.504 12.704 -3.837 1.00 0.00 H new ATOM 0 HA SER A 56 -7.967 10.412 -4.424 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.455 12.029 -5.681 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.072 12.532 -4.047 1.00 0.00 H new ATOM 0 HG SER A 56 -8.758 14.250 -5.590 1.00 0.00 H new ATOM 812 N THR A 57 -5.934 11.227 -6.742 1.00 0.00 N ATOM 813 CA THR A 57 -5.431 10.890 -8.067 1.00 0.00 C ATOM 814 C THR A 57 -4.675 9.566 -8.033 1.00 0.00 C ATOM 815 O THR A 57 -4.285 9.040 -9.074 1.00 0.00 O ATOM 816 CB THR A 57 -4.494 11.992 -8.565 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.286 11.960 -7.814 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.171 13.351 -8.391 1.00 0.00 C ATOM 0 H THR A 57 -5.282 11.752 -6.159 1.00 0.00 H new ATOM 0 HA THR A 57 -6.281 10.797 -8.743 1.00 0.00 H new ATOM 0 HB THR A 57 -4.269 11.832 -9.619 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.684 12.664 -8.133 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.505 14.137 -8.745 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.096 13.373 -8.967 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.395 13.513 -7.337 1.00 0.00 H new ATOM 826 N ALA A 58 -4.469 9.033 -6.833 1.00 0.00 N ATOM 827 CA ALA A 58 -3.753 7.772 -6.686 1.00 0.00 C ATOM 828 C ALA A 58 -4.680 6.589 -6.941 1.00 0.00 C ATOM 829 O ALA A 58 -5.784 6.525 -6.400 1.00 0.00 O ATOM 830 CB ALA A 58 -3.160 7.663 -5.280 1.00 0.00 C ATOM 0 H ALA A 58 -4.784 9.450 -5.957 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.949 7.752 -7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.628 6.717 -5.182 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.468 8.488 -5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.962 7.706 -4.543 1.00 0.00 H new ATOM 836 N THR A 59 -4.218 5.650 -7.757 1.00 0.00 N ATOM 837 CA THR A 59 -5.005 4.465 -8.065 1.00 0.00 C ATOM 838 C THR A 59 -4.163 3.211 -7.874 1.00 0.00 C ATOM 839 O THR A 59 -4.577 2.110 -8.233 1.00 0.00 O ATOM 840 CB THR A 59 -5.519 4.533 -9.502 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.433 4.797 -10.379 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.559 5.649 -9.616 1.00 0.00 C ATOM 0 H THR A 59 -3.307 5.686 -8.215 1.00 0.00 H new ATOM 0 HA THR A 59 -5.857 4.426 -7.386 1.00 0.00 H new ATOM 0 HB THR A 59 -5.978 3.583 -9.774 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.760 4.839 -11.302 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.927 5.700 -10.641 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.390 5.442 -8.941 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.102 6.601 -9.347 1.00 0.00 H new ATOM 850 N SER A 60 -2.979 3.387 -7.296 1.00 0.00 N ATOM 851 CA SER A 60 -2.083 2.268 -7.046 1.00 0.00 C ATOM 852 C SER A 60 -1.012 2.684 -6.048 1.00 0.00 C ATOM 853 O SER A 60 -0.601 3.844 -6.019 1.00 0.00 O ATOM 854 CB SER A 60 -1.426 1.815 -8.350 1.00 0.00 C ATOM 855 OG SER A 60 -0.487 2.796 -8.769 1.00 0.00 O ATOM 0 H SER A 60 -2.620 4.292 -6.993 1.00 0.00 H new ATOM 0 HA SER A 60 -2.659 1.438 -6.636 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.928 0.856 -8.206 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.183 1.668 -9.120 1.00 0.00 H new ATOM 0 HG SER A 60 -0.063 2.507 -9.604 1.00 0.00 H new ATOM 861 N VAL A 61 -0.572 1.745 -5.218 1.00 0.00 N ATOM 862 CA VAL A 61 0.440 2.064 -4.217 1.00 0.00 C ATOM 863 C VAL A 61 1.298 0.855 -3.877 1.00 0.00 C ATOM 864 O VAL A 61 0.852 -0.289 -3.977 1.00 0.00 O ATOM 865 CB VAL A 61 -0.233 2.571 -2.948 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.838 1.393 -2.185 1.00 0.00 C ATOM 867 CG2 VAL A 61 0.801 3.275 -2.071 1.00 0.00 C ATOM 0 H VAL A 61 -0.892 0.776 -5.216 1.00 0.00 H new ATOM 0 HA VAL A 61 1.087 2.835 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.023 3.274 -3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.319 1.756 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.576 0.894 -2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.050 0.688 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.321 3.638 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.593 2.574 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.229 4.116 -2.617 1.00 0.00 H new ATOM 877 N ASN A 62 2.530 1.119 -3.456 1.00 0.00 N ATOM 878 CA ASN A 62 3.440 0.048 -3.082 1.00 0.00 C ATOM 879 C ASN A 62 3.611 -0.006 -1.564 1.00 0.00 C ATOM 880 O ASN A 62 3.935 0.998 -0.931 1.00 0.00 O ATOM 881 CB ASN A 62 4.801 0.245 -3.753 1.00 0.00 C ATOM 882 CG ASN A 62 5.753 -0.866 -3.326 1.00 0.00 C ATOM 883 OD1 ASN A 62 6.860 -0.593 -2.861 1.00 0.00 O ATOM 884 ND2 ASN A 62 5.383 -2.112 -3.450 1.00 0.00 N ATOM 0 H ASN A 62 2.917 2.058 -3.366 1.00 0.00 H new ATOM 0 HA ASN A 62 3.013 -0.896 -3.420 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.686 0.241 -4.837 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.214 1.216 -3.479 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.011 -2.862 -3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.465 -2.336 -3.835 1.00 0.00 H new ATOM 891 N ILE A 63 3.383 -1.186 -0.991 1.00 0.00 N ATOM 892 CA ILE A 63 3.506 -1.374 0.453 1.00 0.00 C ATOM 893 C ILE A 63 4.833 -2.043 0.811 1.00 0.00 C ATOM 894 O ILE A 63 4.995 -3.248 0.619 1.00 0.00 O ATOM 895 CB ILE A 63 2.362 -2.252 0.954 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.068 -1.869 0.232 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.193 -2.047 2.459 1.00 0.00 C ATOM 898 CD1 ILE A 63 -0.129 -2.444 0.991 1.00 0.00 C ATOM 0 H ILE A 63 3.112 -2.025 -1.504 1.00 0.00 H new ATOM 0 HA ILE A 63 3.468 -0.393 0.926 1.00 0.00 H new ATOM 0 HB ILE A 63 2.588 -3.299 0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.983 -0.784 0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.082 -2.250 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.377 -2.672 2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.116 -2.322 2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.965 -1.000 2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.051 -2.171 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.045 -3.530 1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.145 -2.041 2.004 1.00 0.00 H new ATOM 910 N PRO A 64 5.777 -1.299 1.334 1.00 0.00 N ATOM 911 CA PRO A 64 7.098 -1.840 1.729 1.00 0.00 C ATOM 912 C PRO A 64 7.127 -2.298 3.189 1.00 0.00 C ATOM 913 O PRO A 64 6.131 -2.202 3.906 1.00 0.00 O ATOM 914 CB PRO A 64 8.017 -0.642 1.521 1.00 0.00 C ATOM 915 CG PRO A 64 7.171 0.555 1.827 1.00 0.00 C ATOM 916 CD PRO A 64 5.708 0.144 1.602 1.00 0.00 C ATOM 0 HA PRO A 64 7.378 -2.725 1.157 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.884 -0.691 2.180 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.395 -0.607 0.499 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.325 0.883 2.855 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.440 1.392 1.182 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.095 0.358 2.478 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.267 0.684 0.764 1.00 0.00 H new ATOM 924 N ASP A 65 8.287 -2.781 3.611 1.00 0.00 N ATOM 925 CA ASP A 65 8.483 -3.248 4.983 1.00 0.00 C ATOM 926 C ASP A 65 7.513 -4.373 5.338 1.00 0.00 C ATOM 927 O ASP A 65 7.013 -4.439 6.461 1.00 0.00 O ATOM 928 CB ASP A 65 8.297 -2.086 5.960 1.00 0.00 C ATOM 929 CG ASP A 65 9.386 -1.042 5.740 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.350 -1.353 5.061 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.242 0.054 6.256 1.00 0.00 O ATOM 0 H ASP A 65 9.115 -2.861 3.020 1.00 0.00 H new ATOM 0 HA ASP A 65 9.498 -3.638 5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.315 -1.635 5.819 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.335 -2.453 6.986 1.00 0.00 H new ATOM 936 N LEU A 66 7.268 -5.266 4.387 1.00 0.00 N ATOM 937 CA LEU A 66 6.379 -6.396 4.624 1.00 0.00 C ATOM 938 C LEU A 66 7.177 -7.586 5.147 1.00 0.00 C ATOM 939 O LEU A 66 8.315 -7.806 4.732 1.00 0.00 O ATOM 940 CB LEU A 66 5.659 -6.782 3.331 1.00 0.00 C ATOM 941 CG LEU A 66 4.865 -5.584 2.809 1.00 0.00 C ATOM 942 CD1 LEU A 66 3.985 -6.026 1.640 1.00 0.00 C ATOM 943 CD2 LEU A 66 3.981 -5.031 3.927 1.00 0.00 C ATOM 0 H LEU A 66 7.670 -5.230 3.450 1.00 0.00 H new ATOM 0 HA LEU A 66 5.637 -6.108 5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.382 -7.106 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.990 -7.623 3.512 1.00 0.00 H new ATOM 0 HG LEU A 66 5.556 -4.810 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.419 -5.172 1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.613 -6.421 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.295 -6.800 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.415 -4.177 3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.291 -5.805 4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.606 -4.716 4.763 1.00 0.00 H new ATOM 955 N LEU A 67 6.583 -8.356 6.056 1.00 0.00 N ATOM 956 CA LEU A 67 7.267 -9.515 6.611 1.00 0.00 C ATOM 957 C LEU A 67 7.223 -10.677 5.615 1.00 0.00 C ATOM 958 O LEU A 67 6.160 -11.013 5.094 1.00 0.00 O ATOM 959 CB LEU A 67 6.596 -9.929 7.922 1.00 0.00 C ATOM 960 CG LEU A 67 6.920 -8.899 9.008 1.00 0.00 C ATOM 961 CD1 LEU A 67 5.931 -9.050 10.165 1.00 0.00 C ATOM 962 CD2 LEU A 67 8.346 -9.121 9.524 1.00 0.00 C ATOM 0 H LEU A 67 5.642 -8.199 6.418 1.00 0.00 H new ATOM 0 HA LEU A 67 8.308 -9.256 6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.517 -10.001 7.784 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.945 -10.916 8.226 1.00 0.00 H new ATOM 0 HG LEU A 67 6.841 -7.896 8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.161 -8.317 10.938 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.917 -8.887 9.800 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.009 -10.054 10.582 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.572 -8.386 10.296 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.430 -10.124 9.942 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.052 -9.011 8.701 1.00 0.00 H new ATOM 974 N PRO A 68 8.349 -11.286 5.334 1.00 0.00 N ATOM 975 CA PRO A 68 8.428 -12.422 4.369 1.00 0.00 C ATOM 976 C PRO A 68 7.759 -13.692 4.891 1.00 0.00 C ATOM 977 O PRO A 68 7.864 -14.022 6.072 1.00 0.00 O ATOM 978 CB PRO A 68 9.925 -12.639 4.169 1.00 0.00 C ATOM 979 CG PRO A 68 10.571 -12.084 5.389 1.00 0.00 C ATOM 980 CD PRO A 68 9.667 -10.966 5.902 1.00 0.00 C ATOM 0 HA PRO A 68 7.899 -12.193 3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.156 -13.697 4.049 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.279 -12.132 3.272 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.695 -12.858 6.146 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.565 -11.701 5.159 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.638 -10.944 6.991 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.017 -9.987 5.573 1.00 0.00 H new ATOM 988 N GLY A 69 7.076 -14.402 3.997 1.00 0.00 N ATOM 989 CA GLY A 69 6.399 -15.637 4.373 1.00 0.00 C ATOM 990 C GLY A 69 5.192 -15.346 5.256 1.00 0.00 C ATOM 991 O GLY A 69 4.803 -16.170 6.084 1.00 0.00 O ATOM 0 H GLY A 69 6.978 -14.145 3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.080 -16.169 3.477 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.093 -16.291 4.902 1.00 0.00 H new ATOM 995 N ARG A 70 4.613 -14.165 5.080 1.00 0.00 N ATOM 996 CA ARG A 70 3.457 -13.763 5.873 1.00 0.00 C ATOM 997 C ARG A 70 2.301 -13.331 4.982 1.00 0.00 C ATOM 998 O ARG A 70 2.512 -12.774 3.904 1.00 0.00 O ATOM 999 CB ARG A 70 3.848 -12.612 6.789 1.00 0.00 C ATOM 1000 CG ARG A 70 4.614 -13.167 7.985 1.00 0.00 C ATOM 1001 CD ARG A 70 3.663 -13.988 8.859 1.00 0.00 C ATOM 1002 NE ARG A 70 2.327 -13.402 8.854 1.00 0.00 N ATOM 1003 CZ ARG A 70 1.288 -14.031 8.304 1.00 0.00 C ATOM 1004 NH1 ARG A 70 1.432 -15.220 7.782 1.00 0.00 N ATOM 1005 NH2 ARG A 70 0.115 -13.461 8.295 1.00 0.00 N ATOM 0 H ARG A 70 4.922 -13.472 4.399 1.00 0.00 H new ATOM 0 HA ARG A 70 3.132 -14.619 6.464 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.464 -11.893 6.248 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.958 -12.080 7.126 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.442 -13.789 7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.046 -12.351 8.565 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.618 -15.014 8.493 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.044 -14.031 9.880 1.00 0.00 H new ATOM 0 HE ARG A 70 2.184 -12.487 9.282 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.345 -15.675 7.793 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.631 -15.694 7.363 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.006 -12.536 8.708 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.682 -13.940 7.875 1.00 0.00 H new ATOM 1019 N LYS A 71 1.075 -13.568 5.447 1.00 0.00 N ATOM 1020 CA LYS A 71 -0.098 -13.172 4.688 1.00 0.00 C ATOM 1021 C LYS A 71 -0.654 -11.875 5.255 1.00 0.00 C ATOM 1022 O LYS A 71 -0.838 -11.741 6.465 1.00 0.00 O ATOM 1023 CB LYS A 71 -1.169 -14.265 4.735 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.222 -13.986 3.657 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.298 -15.075 3.685 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.189 -14.936 2.449 1.00 0.00 C ATOM 1027 NZ LYS A 71 -5.057 -16.140 2.317 1.00 0.00 N ATOM 0 H LYS A 71 0.875 -14.027 6.336 1.00 0.00 H new ATOM 0 HA LYS A 71 0.191 -13.022 3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.715 -15.243 4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.637 -14.290 5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.676 -13.009 3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.750 -13.954 2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.834 -16.061 3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.897 -14.987 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.804 -14.040 2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.574 -14.820 1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.661 -16.042 1.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.462 -16.988 2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.654 -16.232 3.163 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.915 -10.924 4.377 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.448 -9.635 4.797 1.00 0.00 C ATOM 1043 C TYR A 72 -2.798 -9.367 4.157 1.00 0.00 C ATOM 1044 O TYR A 72 -3.069 -9.803 3.038 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.512 -8.505 4.375 1.00 0.00 C ATOM 1046 CG TYR A 72 0.717 -8.465 5.248 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.803 -9.305 4.976 1.00 0.00 C ATOM 1048 CD2 TYR A 72 0.778 -7.565 6.320 1.00 0.00 C ATOM 1049 CE1 TYR A 72 2.950 -9.245 5.777 1.00 0.00 C ATOM 1050 CE2 TYR A 72 1.926 -7.503 7.119 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.011 -8.342 6.848 1.00 0.00 C ATOM 1052 OH TYR A 72 4.142 -8.280 7.636 1.00 0.00 O ATOM 0 H TYR A 72 -0.768 -11.016 3.372 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.546 -9.670 5.882 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.218 -8.641 3.334 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -1.037 -7.552 4.436 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.756 -9.999 4.149 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.061 -6.919 6.530 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.788 -9.894 5.570 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.973 -6.808 7.944 1.00 0.00 H new ATOM 0 HH TYR A 72 4.124 -7.458 8.169 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.616 -8.598 4.855 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.910 -8.214 4.330 1.00 0.00 C ATOM 1064 C ILE A 73 -4.818 -6.765 3.896 1.00 0.00 C ATOM 1065 O ILE A 73 -4.446 -5.893 4.682 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.997 -8.384 5.389 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.997 -9.831 5.870 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.360 -8.053 4.781 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.990 -9.989 7.020 1.00 0.00 C ATOM 0 H ILE A 73 -3.406 -8.230 5.783 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.176 -8.850 3.486 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.803 -7.714 6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.266 -10.497 5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.997 -10.116 6.198 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.135 -8.175 5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.359 -7.023 4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.559 -8.725 3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.989 -11.024 7.362 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.702 -9.334 7.842 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.990 -9.722 6.677 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.132 -6.517 2.640 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.054 -5.171 2.111 1.00 0.00 C ATOM 1083 C VAL A 74 -6.442 -4.639 1.804 1.00 0.00 C ATOM 1084 O VAL A 74 -7.248 -5.305 1.154 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.203 -5.164 0.839 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.011 -3.722 0.369 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.835 -5.797 1.133 1.00 0.00 C ATOM 0 H VAL A 74 -5.441 -7.223 1.972 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.592 -4.527 2.860 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.705 -5.738 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.405 -3.712 -0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.983 -3.275 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.508 -3.149 1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.229 -5.792 0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.329 -5.225 1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.974 -6.824 1.470 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.709 -3.433 2.274 1.00 0.00 N ATOM 1098 CA ASN A 75 -7.999 -2.808 2.048 1.00 0.00 C ATOM 1099 C ASN A 75 -7.795 -1.370 1.604 1.00 0.00 C ATOM 1100 O ASN A 75 -7.112 -0.597 2.273 1.00 0.00 O ATOM 1101 CB ASN A 75 -8.823 -2.842 3.334 1.00 0.00 C ATOM 1102 CG ASN A 75 -8.900 -4.271 3.854 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.721 -5.061 3.389 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -8.078 -4.654 4.790 1.00 0.00 N ATOM 0 H ASN A 75 -6.052 -2.869 2.813 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.533 -3.353 1.270 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.370 -2.195 4.085 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.826 -2.458 3.146 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.114 -5.612 5.140 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.399 -3.996 5.173 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.382 -1.016 0.473 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.241 0.334 -0.037 1.00 0.00 C ATOM 1113 C VAL A 76 -9.518 1.117 0.205 1.00 0.00 C ATOM 1114 O VAL A 76 -10.606 0.686 -0.175 1.00 0.00 O ATOM 1115 CB VAL A 76 -7.936 0.293 -1.531 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.443 1.664 -1.993 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.857 -0.760 -1.797 1.00 0.00 C ATOM 0 H VAL A 76 -8.953 -1.636 -0.102 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.419 0.825 0.484 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.841 0.035 -2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.226 1.632 -3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.213 2.411 -1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.538 1.928 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.636 -0.793 -2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.952 -0.501 -1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.213 -1.737 -1.470 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.379 2.271 0.839 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.529 3.109 1.123 1.00 0.00 C ATOM 1129 C TYR A 77 -10.377 4.450 0.435 1.00 0.00 C ATOM 1130 O TYR A 77 -9.283 5.010 0.379 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.662 3.342 2.628 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.742 2.016 3.345 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -11.967 1.345 3.447 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.590 1.456 3.910 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -12.039 0.117 4.114 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.662 0.228 4.576 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.886 -0.441 4.679 1.00 0.00 C ATOM 1138 OH TYR A 77 -10.956 -1.654 5.336 1.00 0.00 O ATOM 0 H TYR A 77 -8.487 2.645 1.164 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.419 2.601 0.753 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.809 3.913 2.994 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.554 3.933 2.836 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.856 1.775 3.011 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.645 1.973 3.832 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.984 -0.400 4.193 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.772 -0.204 5.011 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.067 -1.898 5.667 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.480 4.971 -0.071 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.448 6.262 -0.731 1.00 0.00 C ATOM 1150 C GLN A 78 -12.068 7.302 0.188 1.00 0.00 C ATOM 1151 O GLN A 78 -13.100 7.058 0.814 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.210 6.202 -2.054 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.696 6.464 -1.807 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.516 5.993 -3.005 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -15.746 6.024 -2.966 1.00 0.00 O ATOM 1156 NE2 GLN A 78 -13.906 5.558 -4.075 1.00 0.00 N ATOM 0 H GLN A 78 -12.398 4.527 -0.038 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.415 6.535 -0.947 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.811 6.942 -2.748 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.076 5.225 -2.518 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.021 5.943 -0.906 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.863 7.528 -1.637 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.887 5.533 -4.106 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.449 5.244 -4.879 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.420 8.451 0.288 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.894 9.510 1.156 1.00 0.00 C ATOM 1167 C ILE A 79 -12.675 10.544 0.362 1.00 0.00 C ATOM 1168 O ILE A 79 -12.167 11.131 -0.591 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.694 10.164 1.834 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.891 9.075 2.543 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.168 11.204 2.851 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.605 9.662 3.120 1.00 0.00 C ATOM 0 H ILE A 79 -10.565 8.672 -0.222 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.561 9.090 1.909 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.074 10.665 1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.488 8.633 3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.652 8.274 1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.304 11.665 3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.753 11.970 2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.785 10.719 3.607 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.040 8.877 3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.003 10.082 2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.852 10.447 3.835 1.00 0.00 H new ATOM 1184 N SER A 80 -13.919 10.750 0.761 1.00 0.00 N ATOM 1185 CA SER A 80 -14.782 11.701 0.084 1.00 0.00 C ATOM 1186 C SER A 80 -14.520 13.117 0.579 1.00 0.00 C ATOM 1187 O SER A 80 -13.815 13.321 1.567 1.00 0.00 O ATOM 1188 CB SER A 80 -16.239 11.332 0.335 1.00 0.00 C ATOM 1189 OG SER A 80 -16.597 11.713 1.655 1.00 0.00 O ATOM 0 H SER A 80 -14.353 10.271 1.550 1.00 0.00 H new ATOM 0 HA SER A 80 -14.570 11.664 -0.985 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.883 11.833 -0.388 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.383 10.260 0.202 1.00 0.00 H new ATOM 0 HG SER A 80 -17.572 11.678 1.753 1.00 0.00 H new ATOM 1195 N GLU A 81 -15.093 14.089 -0.117 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.921 15.485 0.257 1.00 0.00 C ATOM 1197 C GLU A 81 -15.410 15.710 1.683 1.00 0.00 C ATOM 1198 O GLU A 81 -15.036 16.686 2.331 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.704 16.386 -0.702 1.00 0.00 C ATOM 1200 CG GLU A 81 -15.159 16.228 -2.124 1.00 0.00 C ATOM 1201 CD GLU A 81 -15.886 17.178 -3.071 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -17.004 16.867 -3.448 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -15.315 18.204 -3.404 1.00 0.00 O ATOM 0 H GLU A 81 -15.678 13.938 -0.939 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.861 15.734 0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.762 16.126 -0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.624 17.426 -0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -14.089 16.436 -2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -15.287 15.199 -2.459 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.252 14.801 2.164 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.788 14.916 3.514 1.00 0.00 C ATOM 1212 C ASP A 82 -15.916 14.162 4.520 1.00 0.00 C ATOM 1213 O ASP A 82 -16.174 14.197 5.723 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.219 14.375 3.550 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.299 13.055 2.794 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -18.409 13.096 1.579 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -18.249 12.020 3.436 1.00 0.00 O ATOM 0 H ASP A 82 -16.575 13.985 1.645 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.791 15.970 3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.536 14.231 4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.901 15.100 3.105 1.00 0.00 H new ATOM 1222 N GLY A 83 -14.871 13.501 4.026 1.00 0.00 N ATOM 1223 CA GLY A 83 -13.957 12.769 4.904 1.00 0.00 C ATOM 1224 C GLY A 83 -14.435 11.343 5.187 1.00 0.00 C ATOM 1225 O GLY A 83 -13.932 10.690 6.100 1.00 0.00 O ATOM 0 H GLY A 83 -14.637 13.456 3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.968 12.734 4.446 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.853 13.308 5.846 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.396 10.861 4.408 1.00 0.00 N ATOM 1230 CA GLU A 84 -15.909 9.507 4.604 1.00 0.00 C ATOM 1231 C GLU A 84 -15.064 8.482 3.852 1.00 0.00 C ATOM 1232 O GLU A 84 -14.580 8.749 2.752 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.360 9.421 4.135 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.271 10.060 5.184 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.212 9.255 6.476 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -17.766 8.121 6.423 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -18.613 9.783 7.501 1.00 0.00 O ATOM 0 H GLU A 84 -15.832 11.378 3.644 1.00 0.00 H new ATOM 0 HA GLU A 84 -15.857 9.280 5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.475 9.930 3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.642 8.380 3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.961 11.088 5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.296 10.098 4.815 1.00 0.00 H new ATOM 1244 N GLN A 85 -14.902 7.304 4.449 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.125 6.239 3.825 1.00 0.00 C ATOM 1246 C GLN A 85 -15.032 5.106 3.357 1.00 0.00 C ATOM 1247 O GLN A 85 -15.976 4.726 4.049 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.101 5.684 4.815 1.00 0.00 C ATOM 1249 CG GLN A 85 -11.951 6.676 4.980 1.00 0.00 C ATOM 1250 CD GLN A 85 -10.926 6.117 5.961 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -11.287 5.424 6.912 1.00 0.00 O ATOM 1252 NE2 GLN A 85 -9.660 6.372 5.780 1.00 0.00 N ATOM 0 H GLN A 85 -15.296 7.064 5.359 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.611 6.661 2.962 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.576 5.500 5.779 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.720 4.727 4.460 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.480 6.865 4.015 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.331 7.631 5.342 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.363 6.947 4.991 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.967 5.997 6.427 1.00 0.00 H new ATOM 1261 N SER A 86 -14.732 4.565 2.180 1.00 0.00 N ATOM 1262 CA SER A 86 -15.519 3.470 1.631 1.00 0.00 C ATOM 1263 C SER A 86 -14.606 2.417 1.014 1.00 0.00 C ATOM 1264 O SER A 86 -13.655 2.747 0.306 1.00 0.00 O ATOM 1265 CB SER A 86 -16.478 4.001 0.568 1.00 0.00 C ATOM 1266 OG SER A 86 -17.405 2.982 0.218 1.00 0.00 O ATOM 0 H SER A 86 -13.954 4.866 1.593 1.00 0.00 H new ATOM 0 HA SER A 86 -16.090 3.013 2.439 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.008 4.876 0.945 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.921 4.320 -0.313 1.00 0.00 H new ATOM 0 HG SER A 86 -18.023 3.321 -0.463 1.00 0.00 H new ATOM 1272 N LEU A 87 -14.900 1.151 1.285 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.089 0.066 0.746 1.00 0.00 C ATOM 1274 C LEU A 87 -14.342 -0.105 -0.746 1.00 0.00 C ATOM 1275 O LEU A 87 -15.451 -0.438 -1.165 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.416 -1.242 1.470 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.513 -2.363 0.942 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.112 -2.215 1.537 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.095 -3.725 1.340 1.00 0.00 C ATOM 0 H LEU A 87 -15.683 0.853 1.867 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.039 0.316 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.272 -1.121 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.463 -1.502 1.316 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.456 -2.297 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.471 -3.012 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.695 -1.249 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.170 -2.278 2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.451 -4.520 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.156 -3.791 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.092 -3.833 0.914 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.304 0.116 -1.541 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.423 -0.027 -2.985 1.00 0.00 C ATOM 1293 C ILE A 88 -12.669 -1.262 -3.457 1.00 0.00 C ATOM 1294 O ILE A 88 -12.950 -1.802 -4.528 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.865 1.216 -3.683 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.357 1.312 -3.439 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.545 2.466 -3.124 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.774 2.427 -4.308 1.00 0.00 C ATOM 0 H ILE A 88 -12.378 0.393 -1.214 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.477 -0.138 -3.238 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.057 1.141 -4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.160 1.515 -2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.878 0.362 -3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.147 3.350 -3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.619 2.404 -3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.354 2.536 -2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.700 2.498 -4.137 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.960 2.204 -5.359 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.246 3.375 -4.049 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.707 -1.705 -2.655 1.00 0.00 N ATOM 1311 CA LEU A 89 -10.921 -2.879 -3.013 1.00 0.00 C ATOM 1312 C LEU A 89 -10.317 -3.547 -1.783 1.00 0.00 C ATOM 1313 O LEU A 89 -9.613 -2.912 -0.999 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.800 -2.488 -3.974 1.00 0.00 C ATOM 1315 CG LEU A 89 -9.027 -3.744 -4.380 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -9.913 -4.625 -5.260 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.771 -3.348 -5.161 1.00 0.00 C ATOM 0 H LEU A 89 -11.455 -1.276 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.594 -3.589 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.214 -2.000 -4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.130 -1.772 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.738 -4.293 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.363 -5.520 -5.550 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.806 -4.912 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.203 -4.072 -6.154 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.223 -4.245 -5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.058 -2.796 -6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.136 -2.720 -4.535 1.00 0.00 H new ATOM 1329 N SER A 90 -10.582 -4.842 -1.638 1.00 0.00 N ATOM 1330 CA SER A 90 -10.046 -5.608 -0.519 1.00 0.00 C ATOM 1331 C SER A 90 -9.468 -6.922 -1.032 1.00 0.00 C ATOM 1332 O SER A 90 -10.169 -7.710 -1.667 1.00 0.00 O ATOM 1333 CB SER A 90 -11.147 -5.891 0.502 1.00 0.00 C ATOM 1334 OG SER A 90 -10.587 -6.566 1.621 1.00 0.00 O ATOM 0 H SER A 90 -11.163 -5.381 -2.280 1.00 0.00 H new ATOM 0 HA SER A 90 -9.259 -5.029 -0.035 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.612 -4.958 0.821 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.930 -6.500 0.050 1.00 0.00 H new ATOM 0 HG SER A 90 -10.398 -5.919 2.332 1.00 0.00 H new ATOM 1340 N THR A 91 -8.187 -7.155 -0.763 1.00 0.00 N ATOM 1341 CA THR A 91 -7.538 -8.377 -1.218 1.00 0.00 C ATOM 1342 C THR A 91 -6.435 -8.785 -0.252 1.00 0.00 C ATOM 1343 O THR A 91 -5.895 -7.953 0.471 1.00 0.00 O ATOM 1344 CB THR A 91 -6.943 -8.157 -2.611 1.00 0.00 C ATOM 1345 OG1 THR A 91 -6.666 -9.413 -3.213 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.650 -7.349 -2.491 1.00 0.00 C ATOM 0 H THR A 91 -7.585 -6.521 -0.238 1.00 0.00 H new ATOM 0 HA THR A 91 -8.282 -9.173 -1.259 1.00 0.00 H new ATOM 0 HB THR A 91 -7.656 -7.610 -3.228 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.287 -9.271 -4.105 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.226 -7.192 -3.483 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.865 -6.384 -2.031 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.936 -7.894 -1.873 1.00 0.00 H new ATOM 1354 N SER A 92 -6.095 -10.066 -0.252 1.00 0.00 N ATOM 1355 CA SER A 92 -5.044 -10.563 0.627 1.00 0.00 C ATOM 1356 C SER A 92 -3.897 -11.122 -0.204 1.00 0.00 C ATOM 1357 O SER A 92 -4.097 -11.566 -1.334 1.00 0.00 O ATOM 1358 CB SER A 92 -5.596 -11.653 1.542 1.00 0.00 C ATOM 1359 OG SER A 92 -5.836 -12.828 0.781 1.00 0.00 O ATOM 0 H SER A 92 -6.526 -10.775 -0.845 1.00 0.00 H new ATOM 0 HA SER A 92 -4.677 -9.739 1.239 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.888 -11.864 2.344 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.520 -11.316 2.012 1.00 0.00 H new ATOM 0 HG SER A 92 -6.465 -13.406 1.261 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.696 -11.096 0.358 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.531 -11.601 -0.352 1.00 0.00 C ATOM 1367 C GLN A 93 -0.600 -12.349 0.583 1.00 0.00 C ATOM 1368 O GLN A 93 -0.615 -12.143 1.797 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.758 -10.448 -0.990 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.632 -9.736 -2.022 1.00 0.00 C ATOM 1371 CD GLN A 93 -0.785 -8.735 -2.801 1.00 0.00 C ATOM 1372 OE1 GLN A 93 -1.289 -8.057 -3.697 1.00 0.00 O ATOM 1373 NE2 GLN A 93 0.481 -8.606 -2.510 1.00 0.00 N ATOM 0 H GLN A 93 -2.505 -10.735 1.293 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.889 -12.284 -1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.442 -9.743 -0.221 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.146 -10.826 -1.467 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.074 -10.463 -2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.455 -9.223 -1.525 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.894 -9.170 -1.767 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.058 -7.941 -3.026 1.00 0.00 H new ATOM 1382 N THR A 94 0.223 -13.205 -0.002 1.00 0.00 N ATOM 1383 CA THR A 94 1.183 -13.974 0.766 1.00 0.00 C ATOM 1384 C THR A 94 2.597 -13.573 0.364 1.00 0.00 C ATOM 1385 O THR A 94 3.054 -13.893 -0.734 1.00 0.00 O ATOM 1386 CB THR A 94 0.967 -15.464 0.510 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.354 -15.676 0.026 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.162 -16.238 1.811 1.00 0.00 C ATOM 0 H THR A 94 0.244 -13.383 -1.006 1.00 0.00 H new ATOM 0 HA THR A 94 1.045 -13.773 1.828 1.00 0.00 H new ATOM 0 HB THR A 94 1.686 -15.812 -0.231 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.492 -16.632 -0.140 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.008 -17.301 1.628 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.174 -16.077 2.182 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.444 -15.889 2.553 1.00 0.00 H new ATOM 1396 N THR A 95 3.284 -12.862 1.254 1.00 0.00 N ATOM 1397 CA THR A 95 4.642 -12.416 0.967 1.00 0.00 C ATOM 1398 C THR A 95 5.513 -13.599 0.556 1.00 0.00 C ATOM 1399 O THR A 95 5.052 -14.721 0.687 1.00 0.00 O ATOM 1400 CB THR A 95 5.252 -11.732 2.196 1.00 0.00 C ATOM 1401 OG1 THR A 95 4.922 -12.473 3.363 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.708 -10.305 2.318 1.00 0.00 C ATOM 1403 OXT THR A 95 6.626 -13.367 0.113 1.00 0.00 O ATOM 0 H THR A 95 2.927 -12.586 2.169 1.00 0.00 H new ATOM 0 HA THR A 95 4.600 -11.700 0.146 1.00 0.00 H new ATOM 0 HB THR A 95 6.336 -11.692 2.087 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.045 -12.187 3.695 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.144 -9.823 3.193 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.968 -9.739 1.424 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.624 -10.337 2.424 1.00 0.00 H new