USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=24 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= 0.894 K(o=2.2,f=-0.3) USER MOD Set 1.2: A 90 SER OG : rot 82:sc= 1.26 USER MOD Set 2.1: A 71 LYS NZ :NH3+ -176:sc= -3.28! (180deg=-3.73!) USER MOD Set 2.2: A 92 SER OG : rot 180:sc= 0.687 USER MOD Set 2.3: A 94 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 21 SER OG : rot 173:sc= 0.188 USER MOD Set 3.2: A 62 ASN : amide:sc= -0.341 K(o=-0.15,f=-1.1) USER MOD Set 4.1: A 40 TYR OH : rot 138:sc= 0.0175 USER MOD Set 4.2: A 50 GLN : amide:sc= -0.685 K(o=-0.67,f=-1.4) USER MOD Single : A 20 SER OG : rot -21:sc= -0.281 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -126:sc= -1.35 USER MOD Single : A 43 SER OG : rot 100:sc= -2.13! USER MOD Single : A 51 TYR OH : rot 69:sc= 0.953 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 72 TYR OH : rot -156:sc= -3.21! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.725 F(o=-2.7!,f=-0.73) USER MOD Single : A 80 SER OG : rot 77:sc= -3.3! USER MOD Single : A 85 GLN : amide:sc= -0.389 K(o=-0.39,f=-1.3!) 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 93 GLN :FLIP amide:sc= -2.22 F(o=-4.5!,f=-2.2) USER MOD Single : A 95 THR OG1 : rot -73:sc= -0.0167 USER MOD ----------------------------------------------------------------- ATOM 263 N SER A 20 9.738 -8.129 0.451 1.00 0.00 N ATOM 264 CA SER A 20 8.441 -8.718 0.160 1.00 0.00 C ATOM 265 C SER A 20 7.406 -7.623 -0.066 1.00 0.00 C ATOM 266 O SER A 20 6.251 -7.752 0.336 1.00 0.00 O ATOM 267 CB SER A 20 7.997 -9.619 1.309 1.00 0.00 C ATOM 268 OG SER A 20 8.284 -8.988 2.549 1.00 0.00 O ATOM 0 HA SER A 20 8.529 -9.318 -0.746 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.929 -9.823 1.232 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.510 -10.579 1.251 1.00 0.00 H new ATOM 0 HG SER A 20 8.981 -8.311 2.418 1.00 0.00 H new ATOM 274 N SER A 21 7.834 -6.540 -0.707 1.00 0.00 N ATOM 275 CA SER A 21 6.938 -5.424 -0.975 1.00 0.00 C ATOM 276 C SER A 21 5.769 -5.874 -1.837 1.00 0.00 C ATOM 277 O SER A 21 5.804 -6.946 -2.442 1.00 0.00 O ATOM 278 CB SER A 21 7.681 -4.309 -1.711 1.00 0.00 C ATOM 279 OG SER A 21 7.479 -4.464 -3.107 1.00 0.00 O ATOM 0 H SER A 21 8.787 -6.413 -1.047 1.00 0.00 H new ATOM 0 HA SER A 21 6.570 -5.055 -0.018 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.318 -3.335 -1.384 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.745 -4.348 -1.478 1.00 0.00 H new ATOM 0 HG SER A 21 7.855 -3.692 -3.580 1.00 0.00 H new ATOM 285 N PHE A 22 4.743 -5.035 -1.900 1.00 0.00 N ATOM 286 CA PHE A 22 3.567 -5.334 -2.706 1.00 0.00 C ATOM 287 C PHE A 22 3.161 -4.129 -3.536 1.00 0.00 C ATOM 288 O PHE A 22 3.405 -2.987 -3.158 1.00 0.00 O ATOM 289 CB PHE A 22 2.351 -5.663 -1.833 1.00 0.00 C ATOM 290 CG PHE A 22 2.428 -6.998 -1.128 1.00 0.00 C ATOM 291 CD1 PHE A 22 3.226 -8.061 -1.591 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.632 -7.171 0.005 1.00 0.00 C ATOM 293 CE1 PHE A 22 3.215 -9.284 -0.910 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.630 -8.388 0.684 1.00 0.00 C ATOM 295 CZ PHE A 22 2.417 -9.443 0.229 1.00 0.00 C ATOM 0 H PHE A 22 4.701 -4.145 -1.404 1.00 0.00 H new ATOM 0 HA PHE A 22 3.842 -6.184 -3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.233 -4.878 -1.086 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.457 -5.647 -2.456 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.844 -7.934 -2.468 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.015 -6.358 0.357 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.822 -10.105 -1.263 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.017 -8.513 1.564 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.412 -10.386 0.756 1.00 0.00 H new ATOM 305 N VAL A 23 2.487 -4.404 -4.639 1.00 0.00 N ATOM 306 CA VAL A 23 1.978 -3.354 -5.501 1.00 0.00 C ATOM 307 C VAL A 23 0.519 -3.651 -5.812 1.00 0.00 C ATOM 308 O VAL A 23 0.210 -4.543 -6.601 1.00 0.00 O ATOM 309 CB VAL A 23 2.789 -3.276 -6.793 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.089 -2.337 -7.776 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.191 -2.738 -6.486 1.00 0.00 C ATOM 0 H VAL A 23 2.279 -5.350 -4.959 1.00 0.00 H new ATOM 0 HA VAL A 23 2.064 -2.392 -4.996 1.00 0.00 H new ATOM 0 HB VAL A 23 2.870 -4.271 -7.232 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.666 -2.280 -8.699 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.091 -2.718 -7.995 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.010 -1.343 -7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.769 -2.683 -7.408 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.111 -1.743 -6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.691 -3.405 -5.784 1.00 0.00 H new ATOM 321 N VAL A 24 -0.377 -2.915 -5.168 1.00 0.00 N ATOM 322 CA VAL A 24 -1.805 -3.127 -5.364 1.00 0.00 C ATOM 323 C VAL A 24 -2.442 -1.926 -6.049 1.00 0.00 C ATOM 324 O VAL A 24 -2.157 -0.779 -5.704 1.00 0.00 O ATOM 325 CB VAL A 24 -2.478 -3.369 -4.009 1.00 0.00 C ATOM 326 CG1 VAL A 24 -3.992 -3.498 -4.201 1.00 0.00 C ATOM 327 CG2 VAL A 24 -1.934 -4.663 -3.397 1.00 0.00 C ATOM 0 H VAL A 24 -0.143 -2.171 -4.510 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.943 -3.999 -6.003 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.267 -2.530 -3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.468 -3.670 -3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.383 -2.580 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.204 -4.336 -4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.411 -4.838 -2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.147 -5.498 -4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.856 -4.575 -3.258 1.00 0.00 H new ATOM 337 N SER A 25 -3.311 -2.196 -7.018 1.00 0.00 N ATOM 338 CA SER A 25 -3.986 -1.129 -7.740 1.00 0.00 C ATOM 339 C SER A 25 -5.497 -1.292 -7.640 1.00 0.00 C ATOM 340 O SER A 25 -6.003 -2.408 -7.514 1.00 0.00 O ATOM 341 CB SER A 25 -3.572 -1.145 -9.211 1.00 0.00 C ATOM 342 OG SER A 25 -4.064 -2.330 -9.822 1.00 0.00 O ATOM 0 H SER A 25 -3.562 -3.138 -7.318 1.00 0.00 H new ATOM 0 HA SER A 25 -3.699 -0.178 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.967 -0.267 -9.722 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.486 -1.101 -9.296 1.00 0.00 H new ATOM 0 HG SER A 25 -3.802 -2.344 -10.766 1.00 0.00 H new ATOM 348 N TRP A 26 -6.213 -0.176 -7.698 1.00 0.00 N ATOM 349 CA TRP A 26 -7.664 -0.215 -7.614 1.00 0.00 C ATOM 350 C TRP A 26 -8.274 0.866 -8.491 1.00 0.00 C ATOM 351 O TRP A 26 -7.569 1.558 -9.226 1.00 0.00 O ATOM 352 CB TRP A 26 -8.107 -0.009 -6.167 1.00 0.00 C ATOM 353 CG TRP A 26 -7.461 1.227 -5.629 1.00 0.00 C ATOM 354 CD1 TRP A 26 -7.940 2.482 -5.783 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.232 1.350 -4.859 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.083 3.369 -5.158 1.00 0.00 N ATOM 357 CE2 TRP A 26 -6.015 2.719 -4.572 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.292 0.417 -4.385 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -4.906 3.146 -3.841 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.175 0.842 -3.650 1.00 0.00 C ATOM 361 CH2 TRP A 26 -3.983 2.205 -3.377 1.00 0.00 C ATOM 0 H TRP A 26 -5.816 0.758 -7.802 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.006 -1.189 -7.963 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.192 0.081 -6.115 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.829 -0.872 -5.562 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.845 2.748 -6.309 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.223 4.379 -5.133 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.431 -0.635 -4.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -4.762 4.196 -3.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.459 0.116 -3.293 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.123 2.526 -2.809 1.00 0.00 H new ATOM 372 N VAL A 27 -9.589 1.010 -8.406 1.00 0.00 N ATOM 373 CA VAL A 27 -10.285 2.011 -9.195 1.00 0.00 C ATOM 374 C VAL A 27 -10.786 3.125 -8.289 1.00 0.00 C ATOM 375 O VAL A 27 -11.330 2.869 -7.216 1.00 0.00 O ATOM 376 CB VAL A 27 -11.464 1.368 -9.923 1.00 0.00 C ATOM 377 CG1 VAL A 27 -12.139 2.401 -10.828 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.963 0.198 -10.774 1.00 0.00 C ATOM 0 H VAL A 27 -10.190 0.449 -7.802 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.596 2.429 -9.929 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.184 1.005 -9.189 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.979 1.938 -11.345 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.499 3.234 -10.224 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.420 2.768 -11.560 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.804 -0.261 -11.293 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.241 0.562 -11.504 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.487 -0.542 -10.131 1.00 0.00 H new ATOM 388 N SER A 28 -10.592 4.362 -8.720 1.00 0.00 N ATOM 389 CA SER A 28 -11.028 5.500 -7.923 1.00 0.00 C ATOM 390 C SER A 28 -12.503 5.366 -7.561 1.00 0.00 C ATOM 391 O SER A 28 -12.976 5.978 -6.603 1.00 0.00 O ATOM 392 CB SER A 28 -10.808 6.800 -8.692 1.00 0.00 C ATOM 393 OG SER A 28 -11.575 6.775 -9.887 1.00 0.00 O ATOM 0 H SER A 28 -10.143 4.603 -9.603 1.00 0.00 H new ATOM 0 HA SER A 28 -10.438 5.520 -7.007 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.098 7.653 -8.078 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.751 6.922 -8.928 1.00 0.00 H new ATOM 0 HG SER A 28 -11.437 7.609 -10.382 1.00 0.00 H new ATOM 446 N VAL A 33 -13.611 11.634 -4.456 1.00 0.00 N ATOM 447 CA VAL A 33 -12.620 11.254 -3.464 1.00 0.00 C ATOM 448 C VAL A 33 -11.577 12.352 -3.313 1.00 0.00 C ATOM 449 O VAL A 33 -11.109 12.913 -4.302 1.00 0.00 O ATOM 450 CB VAL A 33 -11.937 9.947 -3.880 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.442 10.058 -5.321 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.748 9.675 -2.961 1.00 0.00 C ATOM 0 HA VAL A 33 -13.122 11.109 -2.508 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.655 9.130 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.957 9.126 -5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.287 10.249 -5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.728 10.878 -5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.264 8.745 -3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.035 10.496 -3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.096 9.590 -1.932 1.00 0.00 H new ATOM 462 N SER A 34 -11.220 12.654 -2.071 1.00 0.00 N ATOM 463 CA SER A 34 -10.225 13.690 -1.809 1.00 0.00 C ATOM 464 C SER A 34 -8.855 13.052 -1.658 1.00 0.00 C ATOM 465 O SER A 34 -7.827 13.727 -1.707 1.00 0.00 O ATOM 466 CB SER A 34 -10.576 14.451 -0.532 1.00 0.00 C ATOM 467 OG SER A 34 -11.818 15.119 -0.710 1.00 0.00 O ATOM 0 H SER A 34 -11.598 12.204 -1.238 1.00 0.00 H new ATOM 0 HA SER A 34 -10.215 14.389 -2.646 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.638 13.762 0.310 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.793 15.172 -0.297 1.00 0.00 H new ATOM 0 HG SER A 34 -11.710 16.071 -0.504 1.00 0.00 H new ATOM 473 N GLY A 35 -8.860 11.740 -1.484 1.00 0.00 N ATOM 474 CA GLY A 35 -7.629 10.984 -1.329 1.00 0.00 C ATOM 475 C GLY A 35 -7.952 9.518 -1.082 1.00 0.00 C ATOM 476 O GLY A 35 -9.121 9.132 -1.035 1.00 0.00 O ATOM 0 H GLY A 35 -9.708 11.175 -1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.015 11.085 -2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.049 11.383 -0.497 1.00 0.00 H new ATOM 480 N PHE A 36 -6.920 8.709 -0.919 1.00 0.00 N ATOM 481 CA PHE A 36 -7.117 7.290 -0.669 1.00 0.00 C ATOM 482 C PHE A 36 -6.358 6.852 0.569 1.00 0.00 C ATOM 483 O PHE A 36 -5.308 7.401 0.895 1.00 0.00 O ATOM 484 CB PHE A 36 -6.634 6.471 -1.866 1.00 0.00 C ATOM 485 CG PHE A 36 -7.548 6.708 -3.039 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.703 5.932 -3.196 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.244 7.707 -3.967 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.554 6.160 -4.284 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.093 7.931 -5.053 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.247 7.161 -5.211 1.00 0.00 C ATOM 0 H PHE A 36 -5.945 9.006 -0.955 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.183 7.121 -0.514 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.613 6.752 -2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.618 5.411 -1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.937 5.159 -2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.353 8.305 -3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.446 5.564 -4.407 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.856 8.701 -5.772 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.903 7.339 -6.050 1.00 0.00 H new ATOM 500 N ARG A 37 -6.882 5.839 1.242 1.00 0.00 N ATOM 501 CA ARG A 37 -6.226 5.314 2.422 1.00 0.00 C ATOM 502 C ARG A 37 -6.095 3.809 2.290 1.00 0.00 C ATOM 503 O ARG A 37 -7.083 3.105 2.075 1.00 0.00 O ATOM 504 CB ARG A 37 -7.014 5.654 3.687 1.00 0.00 C ATOM 505 CG ARG A 37 -6.165 5.297 4.910 1.00 0.00 C ATOM 506 CD ARG A 37 -6.891 5.718 6.186 1.00 0.00 C ATOM 507 NE ARG A 37 -7.856 4.699 6.575 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.156 4.491 7.852 1.00 0.00 C ATOM 509 NH1 ARG A 37 -7.579 5.204 8.778 1.00 0.00 N ATOM 510 NH2 ARG A 37 -9.024 3.573 8.178 1.00 0.00 N ATOM 0 H ARG A 37 -7.752 5.370 0.991 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.239 5.770 2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.267 6.714 3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.954 5.102 3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.971 4.225 4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.197 5.795 4.850 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.170 5.872 6.989 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.399 6.669 6.027 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.309 4.136 5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.899 5.920 8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.807 5.046 9.760 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.473 3.015 7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.254 3.414 9.159 1.00 0.00 H new ATOM 524 N VAL A 38 -4.874 3.321 2.413 1.00 0.00 N ATOM 525 CA VAL A 38 -4.629 1.892 2.298 1.00 0.00 C ATOM 526 C VAL A 38 -4.233 1.319 3.649 1.00 0.00 C ATOM 527 O VAL A 38 -3.361 1.857 4.325 1.00 0.00 O ATOM 528 CB VAL A 38 -3.520 1.632 1.279 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.359 0.124 1.070 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.892 2.293 -0.051 1.00 0.00 C ATOM 0 H VAL A 38 -4.043 3.885 2.591 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.544 1.405 1.961 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.582 2.048 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.568 -0.060 0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.099 -0.349 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.295 -0.294 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.104 2.110 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.829 1.873 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.008 3.367 0.096 1.00 0.00 H new ATOM 540 N GLU A 39 -4.873 0.224 4.036 1.00 0.00 N ATOM 541 CA GLU A 39 -4.564 -0.403 5.310 1.00 0.00 C ATOM 542 C GLU A 39 -4.161 -1.852 5.099 1.00 0.00 C ATOM 543 O GLU A 39 -4.826 -2.588 4.371 1.00 0.00 O ATOM 544 CB GLU A 39 -5.779 -0.347 6.237 1.00 0.00 C ATOM 545 CG GLU A 39 -5.397 -0.897 7.614 1.00 0.00 C ATOM 546 CD GLU A 39 -6.641 -1.028 8.486 1.00 0.00 C ATOM 547 OE1 GLU A 39 -7.714 -0.709 8.002 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.502 -1.446 9.623 1.00 0.00 O ATOM 0 H GLU A 39 -5.600 -0.242 3.493 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.736 0.139 5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.132 0.680 6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.598 -0.929 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.915 -1.868 7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.676 -0.234 8.092 1.00 0.00 H new ATOM 555 N TYR A 40 -3.076 -2.267 5.742 1.00 0.00 N ATOM 556 CA TYR A 40 -2.623 -3.639 5.606 1.00 0.00 C ATOM 557 C TYR A 40 -2.119 -4.193 6.932 1.00 0.00 C ATOM 558 O TYR A 40 -1.425 -3.511 7.686 1.00 0.00 O ATOM 559 CB TYR A 40 -1.527 -3.736 4.540 1.00 0.00 C ATOM 560 CG TYR A 40 -0.460 -2.703 4.804 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.758 -1.341 4.681 1.00 0.00 C ATOM 562 CD2 TYR A 40 0.829 -3.107 5.169 1.00 0.00 C ATOM 563 CE1 TYR A 40 0.232 -0.384 4.922 1.00 0.00 C ATOM 564 CE2 TYR A 40 1.820 -2.149 5.409 1.00 0.00 C ATOM 565 CZ TYR A 40 1.523 -0.787 5.286 1.00 0.00 C ATOM 566 OH TYR A 40 2.501 0.158 5.523 1.00 0.00 O ATOM 0 H TYR A 40 -2.504 -1.682 6.352 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.476 -4.241 5.294 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.089 -4.734 4.547 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.956 -3.583 3.550 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.753 -1.029 4.400 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.059 -4.158 5.265 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.001 0.667 4.827 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.815 -2.461 5.689 1.00 0.00 H new ATOM 0 HH TYR A 40 3.020 -0.099 6.314 1.00 0.00 H new ATOM 576 N GLU A 41 -2.474 -5.445 7.200 1.00 0.00 N ATOM 577 CA GLU A 41 -2.061 -6.114 8.427 1.00 0.00 C ATOM 578 C GLU A 41 -1.885 -7.606 8.165 1.00 0.00 C ATOM 579 O GLU A 41 -2.327 -8.113 7.138 1.00 0.00 O ATOM 580 CB GLU A 41 -3.108 -5.903 9.521 1.00 0.00 C ATOM 581 CG GLU A 41 -4.329 -6.780 9.238 1.00 0.00 C ATOM 582 CD GLU A 41 -5.429 -6.482 10.252 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.174 -5.707 11.160 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.508 -7.031 10.106 1.00 0.00 O ATOM 0 H GLU A 41 -3.048 -6.018 6.582 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.113 -5.690 8.759 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.686 -6.152 10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.402 -4.854 9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.694 -6.595 8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.051 -7.833 9.289 1.00 0.00 H new ATOM 591 N LEU A 42 -1.235 -8.303 9.087 1.00 0.00 N ATOM 592 CA LEU A 42 -1.011 -9.738 8.917 1.00 0.00 C ATOM 593 C LEU A 42 -2.301 -10.521 9.125 1.00 0.00 C ATOM 594 O LEU A 42 -2.970 -10.373 10.147 1.00 0.00 O ATOM 595 CB LEU A 42 0.039 -10.223 9.917 1.00 0.00 C ATOM 596 CG LEU A 42 1.300 -9.370 9.781 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.382 -9.892 10.728 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.806 -9.450 8.344 1.00 0.00 C ATOM 0 H LEU A 42 -0.857 -7.909 9.949 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.659 -9.906 7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.351 -10.156 10.933 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.274 -11.272 9.735 1.00 0.00 H new ATOM 0 HG LEU A 42 1.067 -8.336 10.035 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.279 -9.281 10.628 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.022 -9.841 11.755 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.617 -10.926 10.477 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.706 -8.843 8.241 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.037 -10.486 8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.038 -9.078 7.666 1.00 0.00 H new ATOM 610 N SER A 43 -2.637 -11.366 8.154 1.00 0.00 N ATOM 611 CA SER A 43 -3.842 -12.179 8.252 1.00 0.00 C ATOM 612 C SER A 43 -3.652 -13.245 9.322 1.00 0.00 C ATOM 613 O SER A 43 -4.591 -13.616 10.026 1.00 0.00 O ATOM 614 CB SER A 43 -4.124 -12.864 6.914 1.00 0.00 C ATOM 615 OG SER A 43 -3.306 -14.017 6.802 1.00 0.00 O ATOM 0 H SER A 43 -2.097 -11.504 7.300 1.00 0.00 H new ATOM 0 HA SER A 43 -4.681 -11.534 8.513 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.176 -13.141 6.848 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.923 -12.179 6.091 1.00 0.00 H new ATOM 0 HG SER A 43 -3.831 -14.814 7.027 1.00 0.00 H new ATOM 621 N GLU A 44 -2.419 -13.732 9.429 1.00 0.00 N ATOM 622 CA GLU A 44 -2.084 -14.758 10.406 1.00 0.00 C ATOM 623 C GLU A 44 -1.881 -14.146 11.786 1.00 0.00 C ATOM 624 O GLU A 44 -2.458 -14.607 12.772 1.00 0.00 O ATOM 625 CB GLU A 44 -0.802 -15.474 9.977 1.00 0.00 C ATOM 626 CG GLU A 44 -1.064 -16.258 8.688 1.00 0.00 C ATOM 627 CD GLU A 44 0.192 -17.018 8.274 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.234 -16.764 8.855 1.00 0.00 O ATOM 629 OE2 GLU A 44 0.092 -17.843 7.380 1.00 0.00 O ATOM 0 H GLU A 44 -1.636 -13.431 8.849 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.909 -15.469 10.457 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.003 -14.749 9.819 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.468 -16.149 10.765 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.888 -16.956 8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.365 -15.576 7.893 1.00 0.00 H new ATOM 685 N PRO A 49 -2.199 -2.689 12.517 1.00 0.00 N ATOM 686 CA PRO A 49 -2.460 -2.236 11.123 1.00 0.00 C ATOM 687 C PRO A 49 -1.674 -0.974 10.774 1.00 0.00 C ATOM 688 O PRO A 49 -1.339 -0.175 11.649 1.00 0.00 O ATOM 689 CB PRO A 49 -3.961 -1.955 11.118 1.00 0.00 C ATOM 690 CG PRO A 49 -4.280 -1.570 12.524 1.00 0.00 C ATOM 691 CD PRO A 49 -3.325 -2.371 13.410 1.00 0.00 C ATOM 0 HA PRO A 49 -2.153 -2.976 10.384 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.212 -1.155 10.422 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.527 -2.834 10.810 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.146 -0.499 12.675 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.318 -1.798 12.764 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.999 -1.791 14.273 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.799 -3.275 13.794 1.00 0.00 H new ATOM 699 N GLN A 50 -1.396 -0.799 9.490 1.00 0.00 N ATOM 700 CA GLN A 50 -0.664 0.370 9.020 1.00 0.00 C ATOM 701 C GLN A 50 -1.503 1.090 7.973 1.00 0.00 C ATOM 702 O GLN A 50 -2.232 0.447 7.227 1.00 0.00 O ATOM 703 CB GLN A 50 0.666 -0.074 8.408 1.00 0.00 C ATOM 704 CG GLN A 50 1.397 -0.990 9.392 1.00 0.00 C ATOM 705 CD GLN A 50 2.223 -2.018 8.628 1.00 0.00 C ATOM 706 OE1 GLN A 50 3.232 -1.673 8.013 1.00 0.00 O ATOM 707 NE2 GLN A 50 1.848 -3.268 8.621 1.00 0.00 N ATOM 0 H GLN A 50 -1.666 -1.452 8.754 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.464 1.044 9.853 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.490 -0.598 7.468 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.281 0.796 8.178 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.045 -0.399 10.040 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.677 -1.495 10.036 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.012 -3.552 9.131 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.391 -3.961 8.106 1.00 0.00 H new ATOM 716 N TYR A 51 -1.419 2.417 7.917 1.00 0.00 N ATOM 717 CA TYR A 51 -2.216 3.154 6.941 1.00 0.00 C ATOM 718 C TYR A 51 -1.354 4.051 6.058 1.00 0.00 C ATOM 719 O TYR A 51 -0.440 4.726 6.533 1.00 0.00 O ATOM 720 CB TYR A 51 -3.257 4.028 7.648 1.00 0.00 C ATOM 721 CG TYR A 51 -4.140 3.182 8.530 1.00 0.00 C ATOM 722 CD1 TYR A 51 -5.295 2.590 8.004 1.00 0.00 C ATOM 723 CD2 TYR A 51 -3.813 3.004 9.879 1.00 0.00 C ATOM 724 CE1 TYR A 51 -6.122 1.819 8.829 1.00 0.00 C ATOM 725 CE2 TYR A 51 -4.642 2.235 10.704 1.00 0.00 C ATOM 726 CZ TYR A 51 -5.796 1.642 10.180 1.00 0.00 C ATOM 727 OH TYR A 51 -6.613 0.883 10.993 1.00 0.00 O ATOM 0 H TYR A 51 -0.826 2.990 8.517 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.707 2.410 6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.756 4.789 8.246 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.864 4.551 6.909 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.547 2.728 6.963 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.921 3.460 10.283 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.012 1.360 8.424 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.391 2.099 11.746 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.560 -0.058 10.723 1.00 0.00 H new ATOM 737 N LEU A 52 -1.687 4.079 4.772 1.00 0.00 N ATOM 738 CA LEU A 52 -0.982 4.925 3.820 1.00 0.00 C ATOM 739 C LEU A 52 -1.979 5.847 3.135 1.00 0.00 C ATOM 740 O LEU A 52 -3.010 5.397 2.636 1.00 0.00 O ATOM 741 CB LEU A 52 -0.256 4.076 2.775 1.00 0.00 C ATOM 742 CG LEU A 52 0.853 3.273 3.452 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.454 2.289 2.449 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.946 4.230 3.937 1.00 0.00 C ATOM 0 H LEU A 52 -2.441 3.525 4.366 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.239 5.517 4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.960 3.403 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.165 4.716 2.000 1.00 0.00 H new ATOM 0 HG LEU A 52 0.441 2.725 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.246 1.716 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.678 1.610 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.868 2.839 1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.740 3.661 4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.357 4.774 3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.521 4.937 4.649 1.00 0.00 H new ATOM 756 N ASP A 53 -1.678 7.136 3.126 1.00 0.00 N ATOM 757 CA ASP A 53 -2.573 8.104 2.506 1.00 0.00 C ATOM 758 C ASP A 53 -2.053 8.523 1.136 1.00 0.00 C ATOM 759 O ASP A 53 -0.879 8.866 0.981 1.00 0.00 O ATOM 760 CB ASP A 53 -2.711 9.330 3.404 1.00 0.00 C ATOM 761 CG ASP A 53 -3.138 8.907 4.807 1.00 0.00 C ATOM 762 OD1 ASP A 53 -3.967 8.018 4.910 1.00 0.00 O ATOM 763 OD2 ASP A 53 -2.631 9.482 5.756 1.00 0.00 O ATOM 0 H ASP A 53 -0.833 7.534 3.535 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.549 7.637 2.376 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.763 9.865 3.450 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.445 10.017 2.984 1.00 0.00 H new ATOM 768 N LEU A 54 -2.936 8.483 0.144 1.00 0.00 N ATOM 769 CA LEU A 54 -2.571 8.851 -1.218 1.00 0.00 C ATOM 770 C LEU A 54 -3.573 9.863 -1.766 1.00 0.00 C ATOM 771 O LEU A 54 -4.718 9.915 -1.318 1.00 0.00 O ATOM 772 CB LEU A 54 -2.567 7.600 -2.100 1.00 0.00 C ATOM 773 CG LEU A 54 -1.994 6.419 -1.316 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.321 5.120 -2.048 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.477 6.570 -1.201 1.00 0.00 C ATOM 0 H LEU A 54 -3.909 8.199 0.258 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.577 9.298 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.581 7.373 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.972 7.777 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.433 6.397 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.914 4.276 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.402 5.012 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.881 5.143 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.069 5.728 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.037 6.591 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.242 7.499 -0.681 1.00 0.00 H new ATOM 787 N PRO A 55 -3.169 10.668 -2.715 1.00 0.00 N ATOM 788 CA PRO A 55 -4.062 11.697 -3.314 1.00 0.00 C ATOM 789 C PRO A 55 -5.194 11.079 -4.133 1.00 0.00 C ATOM 790 O PRO A 55 -5.091 9.945 -4.602 1.00 0.00 O ATOM 791 CB PRO A 55 -3.138 12.542 -4.194 1.00 0.00 C ATOM 792 CG PRO A 55 -1.913 11.722 -4.432 1.00 0.00 C ATOM 793 CD PRO A 55 -1.826 10.681 -3.314 1.00 0.00 C ATOM 0 HA PRO A 55 -4.563 12.286 -2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.624 12.795 -5.136 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.886 13.482 -3.702 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.962 11.234 -5.406 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.025 12.354 -4.436 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.557 9.700 -3.706 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.067 10.950 -2.580 1.00 0.00 H new ATOM 801 N SER A 56 -6.273 11.837 -4.294 1.00 0.00 N ATOM 802 CA SER A 56 -7.429 11.365 -5.051 1.00 0.00 C ATOM 803 C SER A 56 -7.019 10.963 -6.466 1.00 0.00 C ATOM 804 O SER A 56 -7.799 10.351 -7.196 1.00 0.00 O ATOM 805 CB SER A 56 -8.500 12.454 -5.117 1.00 0.00 C ATOM 806 OG SER A 56 -7.902 13.681 -5.511 1.00 0.00 O ATOM 0 H SER A 56 -6.372 12.778 -3.912 1.00 0.00 H new ATOM 0 HA SER A 56 -7.836 10.492 -4.541 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.278 12.172 -5.826 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.980 12.566 -4.145 1.00 0.00 H new ATOM 0 HG SER A 56 -8.588 14.380 -5.555 1.00 0.00 H new ATOM 812 N THR A 57 -5.796 11.313 -6.848 1.00 0.00 N ATOM 813 CA THR A 57 -5.304 10.978 -8.181 1.00 0.00 C ATOM 814 C THR A 57 -4.532 9.662 -8.156 1.00 0.00 C ATOM 815 O THR A 57 -4.183 9.117 -9.204 1.00 0.00 O ATOM 816 CB THR A 57 -4.396 12.093 -8.700 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.244 12.188 -7.873 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.156 13.420 -8.676 1.00 0.00 C ATOM 0 H THR A 57 -5.134 11.822 -6.263 1.00 0.00 H new ATOM 0 HA THR A 57 -6.162 10.870 -8.845 1.00 0.00 H new ATOM 0 HB THR A 57 -4.090 11.869 -9.722 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.660 12.901 -8.206 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.510 14.216 -9.046 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.039 13.345 -9.311 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.462 13.646 -7.654 1.00 0.00 H new ATOM 826 N ALA A 58 -4.271 9.152 -6.957 1.00 0.00 N ATOM 827 CA ALA A 58 -3.544 7.896 -6.818 1.00 0.00 C ATOM 828 C ALA A 58 -4.480 6.712 -7.028 1.00 0.00 C ATOM 829 O ALA A 58 -5.560 6.653 -6.441 1.00 0.00 O ATOM 830 CB ALA A 58 -2.913 7.802 -5.428 1.00 0.00 C ATOM 0 H ALA A 58 -4.549 9.584 -6.076 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.760 7.870 -7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.373 6.860 -5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.221 8.632 -5.286 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.695 7.847 -4.670 1.00 0.00 H new ATOM 836 N THR A 59 -4.056 5.765 -7.855 1.00 0.00 N ATOM 837 CA THR A 59 -4.866 4.583 -8.115 1.00 0.00 C ATOM 838 C THR A 59 -4.029 3.320 -7.946 1.00 0.00 C ATOM 839 O THR A 59 -4.454 2.228 -8.323 1.00 0.00 O ATOM 840 CB THR A 59 -5.455 4.635 -9.525 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.410 4.805 -10.473 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.437 5.805 -9.623 1.00 0.00 C ATOM 0 H THR A 59 -3.166 5.791 -8.352 1.00 0.00 H new ATOM 0 HA THR A 59 -5.685 4.563 -7.396 1.00 0.00 H new ATOM 0 HB THR A 59 -5.980 3.703 -9.735 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.789 4.836 -11.376 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.858 5.844 -10.628 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.240 5.668 -8.898 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.914 6.738 -9.413 1.00 0.00 H new ATOM 850 N SER A 60 -2.843 3.478 -7.367 1.00 0.00 N ATOM 851 CA SER A 60 -1.948 2.351 -7.136 1.00 0.00 C ATOM 852 C SER A 60 -0.871 2.753 -6.136 1.00 0.00 C ATOM 853 O SER A 60 -0.407 3.894 -6.140 1.00 0.00 O ATOM 854 CB SER A 60 -1.295 1.915 -8.446 1.00 0.00 C ATOM 855 OG SER A 60 -0.303 2.863 -8.816 1.00 0.00 O ATOM 0 H SER A 60 -2.480 4.377 -7.049 1.00 0.00 H new ATOM 0 HA SER A 60 -2.525 1.517 -6.737 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.846 0.928 -8.331 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.047 1.834 -9.231 1.00 0.00 H new ATOM 0 HG SER A 60 0.119 2.584 -9.656 1.00 0.00 H new ATOM 861 N VAL A 61 -0.485 1.823 -5.272 1.00 0.00 N ATOM 862 CA VAL A 61 0.529 2.122 -4.265 1.00 0.00 C ATOM 863 C VAL A 61 1.371 0.896 -3.935 1.00 0.00 C ATOM 864 O VAL A 61 0.892 -0.236 -3.997 1.00 0.00 O ATOM 865 CB VAL A 61 -0.147 2.619 -2.991 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.737 1.429 -2.234 1.00 0.00 C ATOM 867 CG2 VAL A 61 0.877 3.337 -2.107 1.00 0.00 C ATOM 0 H VAL A 61 -0.850 0.871 -5.246 1.00 0.00 H new ATOM 0 HA VAL A 61 1.186 2.890 -4.672 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.943 3.316 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.221 1.781 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.471 0.925 -2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.059 0.731 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.389 3.690 -1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.678 2.646 -1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.293 4.186 -2.649 1.00 0.00 H new ATOM 877 N ASN A 62 2.625 1.136 -3.566 1.00 0.00 N ATOM 878 CA ASN A 62 3.528 0.053 -3.208 1.00 0.00 C ATOM 879 C ASN A 62 3.722 0.005 -1.695 1.00 0.00 C ATOM 880 O ASN A 62 4.038 1.017 -1.071 1.00 0.00 O ATOM 881 CB ASN A 62 4.881 0.242 -3.896 1.00 0.00 C ATOM 882 CG ASN A 62 5.889 -0.758 -3.339 1.00 0.00 C ATOM 883 OD1 ASN A 62 6.953 -0.365 -2.862 1.00 0.00 O ATOM 884 ND2 ASN A 62 5.610 -2.031 -3.361 1.00 0.00 N ATOM 0 H ASN A 62 3.036 2.068 -3.508 1.00 0.00 H new ATOM 0 HA ASN A 62 3.088 -0.887 -3.540 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.774 0.104 -4.972 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.240 1.259 -3.739 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.275 -2.705 -2.982 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.727 -2.353 -3.757 1.00 0.00 H new ATOM 891 N ILE A 63 3.517 -1.174 -1.110 1.00 0.00 N ATOM 892 CA ILE A 63 3.661 -1.340 0.334 1.00 0.00 C ATOM 893 C ILE A 63 4.956 -2.070 0.686 1.00 0.00 C ATOM 894 O ILE A 63 5.028 -3.294 0.583 1.00 0.00 O ATOM 895 CB ILE A 63 2.482 -2.137 0.886 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.192 -1.691 0.193 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.374 -1.898 2.392 1.00 0.00 C ATOM 898 CD1 ILE A 63 -0.010 -2.072 1.060 1.00 0.00 C ATOM 0 H ILE A 63 3.252 -2.023 -1.610 1.00 0.00 H new ATOM 0 HA ILE A 63 3.687 -0.345 0.779 1.00 0.00 H new ATOM 0 HB ILE A 63 2.636 -3.200 0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.209 -0.614 0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.111 -2.162 -0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.533 -2.465 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.294 -2.222 2.879 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.218 -0.836 2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.929 -1.755 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.029 -3.153 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.070 -1.580 2.030 1.00 0.00 H new ATOM 910 N PRO A 64 5.967 -1.355 1.108 1.00 0.00 N ATOM 911 CA PRO A 64 7.268 -1.953 1.492 1.00 0.00 C ATOM 912 C PRO A 64 7.319 -2.340 2.972 1.00 0.00 C ATOM 913 O PRO A 64 6.325 -2.239 3.692 1.00 0.00 O ATOM 914 CB PRO A 64 8.252 -0.830 1.189 1.00 0.00 C ATOM 915 CG PRO A 64 7.491 0.434 1.435 1.00 0.00 C ATOM 916 CD PRO A 64 5.998 0.107 1.264 1.00 0.00 C ATOM 0 HA PRO A 64 7.476 -2.881 0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.131 -0.892 1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.605 -0.883 0.159 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.689 0.813 2.437 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.798 1.210 0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.418 0.428 2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.577 0.610 0.393 1.00 0.00 H new ATOM 924 N ASP A 65 8.495 -2.777 3.404 1.00 0.00 N ATOM 925 CA ASP A 65 8.717 -3.181 4.791 1.00 0.00 C ATOM 926 C ASP A 65 7.796 -4.330 5.190 1.00 0.00 C ATOM 927 O ASP A 65 7.331 -4.398 6.329 1.00 0.00 O ATOM 928 CB ASP A 65 8.484 -1.992 5.725 1.00 0.00 C ATOM 929 CG ASP A 65 9.512 -0.902 5.445 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.516 -1.208 4.822 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.281 0.222 5.857 1.00 0.00 O ATOM 0 H ASP A 65 9.319 -2.862 2.809 1.00 0.00 H new ATOM 0 HA ASP A 65 9.748 -3.522 4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.477 -1.599 5.583 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.557 -2.315 6.764 1.00 0.00 H new ATOM 936 N LEU A 66 7.556 -5.242 4.256 1.00 0.00 N ATOM 937 CA LEU A 66 6.708 -6.400 4.527 1.00 0.00 C ATOM 938 C LEU A 66 7.549 -7.564 5.045 1.00 0.00 C ATOM 939 O LEU A 66 8.733 -7.666 4.731 1.00 0.00 O ATOM 940 CB LEU A 66 5.954 -6.810 3.260 1.00 0.00 C ATOM 941 CG LEU A 66 5.103 -5.634 2.776 1.00 0.00 C ATOM 942 CD1 LEU A 66 4.204 -6.083 1.623 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.233 -5.130 3.931 1.00 0.00 C ATOM 0 H LEU A 66 7.933 -5.205 3.309 1.00 0.00 H new ATOM 0 HA LEU A 66 5.982 -6.130 5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.659 -7.108 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.320 -7.673 3.463 1.00 0.00 H new ATOM 0 HG LEU A 66 5.758 -4.834 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.601 -5.241 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.821 -6.443 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.549 -6.885 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.625 -4.292 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.582 -5.934 4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.871 -4.805 4.752 1.00 0.00 H new ATOM 955 N LEU A 67 6.933 -8.427 5.848 1.00 0.00 N ATOM 956 CA LEU A 67 7.632 -9.573 6.416 1.00 0.00 C ATOM 957 C LEU A 67 7.412 -10.827 5.564 1.00 0.00 C ATOM 958 O LEU A 67 6.321 -11.396 5.565 1.00 0.00 O ATOM 959 CB LEU A 67 7.107 -9.834 7.829 1.00 0.00 C ATOM 960 CG LEU A 67 7.619 -8.748 8.776 1.00 0.00 C ATOM 961 CD1 LEU A 67 6.719 -8.684 10.011 1.00 0.00 C ATOM 962 CD2 LEU A 67 9.046 -9.088 9.209 1.00 0.00 C ATOM 0 H LEU A 67 5.952 -8.354 6.119 1.00 0.00 H new ATOM 0 HA LEU A 67 8.698 -9.349 6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.017 -9.844 7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.434 -10.815 8.174 1.00 0.00 H new ATOM 0 HG LEU A 67 7.608 -7.785 8.266 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.083 -7.910 10.687 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.699 -8.449 9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.732 -9.647 10.521 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.415 -8.316 9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.051 -10.051 9.720 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.690 -9.140 8.331 1.00 0.00 H new ATOM 974 N PRO A 68 8.421 -11.276 4.856 1.00 0.00 N ATOM 975 CA PRO A 68 8.321 -12.500 4.005 1.00 0.00 C ATOM 976 C PRO A 68 7.854 -13.713 4.807 1.00 0.00 C ATOM 977 O PRO A 68 8.267 -13.908 5.951 1.00 0.00 O ATOM 978 CB PRO A 68 9.746 -12.715 3.489 1.00 0.00 C ATOM 979 CG PRO A 68 10.424 -11.393 3.612 1.00 0.00 C ATOM 980 CD PRO A 68 9.759 -10.668 4.778 1.00 0.00 C ATOM 0 HA PRO A 68 7.590 -12.378 3.205 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.263 -13.476 4.073 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.740 -13.057 2.454 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.491 -11.520 3.793 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.323 -10.819 2.691 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.316 -10.807 5.705 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.700 -9.594 4.600 1.00 0.00 H new ATOM 988 N GLY A 69 6.989 -14.521 4.205 1.00 0.00 N ATOM 989 CA GLY A 69 6.472 -15.704 4.882 1.00 0.00 C ATOM 990 C GLY A 69 5.265 -15.341 5.736 1.00 0.00 C ATOM 991 O GLY A 69 4.840 -16.113 6.593 1.00 0.00 O ATOM 0 H GLY A 69 6.634 -14.381 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.192 -16.458 4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.250 -16.142 5.508 1.00 0.00 H new ATOM 995 N ARG A 70 4.719 -14.154 5.494 1.00 0.00 N ATOM 996 CA ARG A 70 3.562 -13.687 6.244 1.00 0.00 C ATOM 997 C ARG A 70 2.460 -13.260 5.291 1.00 0.00 C ATOM 998 O ARG A 70 2.728 -12.658 4.251 1.00 0.00 O ATOM 999 CB ARG A 70 3.962 -12.503 7.127 1.00 0.00 C ATOM 1000 CG ARG A 70 5.050 -12.939 8.101 1.00 0.00 C ATOM 1001 CD ARG A 70 4.399 -13.572 9.328 1.00 0.00 C ATOM 1002 NE ARG A 70 4.302 -12.590 10.401 1.00 0.00 N ATOM 1003 CZ ARG A 70 5.390 -12.019 10.904 1.00 0.00 C ATOM 1004 NH1 ARG A 70 6.569 -12.354 10.454 1.00 0.00 N ATOM 1005 NH2 ARG A 70 5.283 -11.127 11.849 1.00 0.00 N ATOM 0 H ARG A 70 5.058 -13.501 4.787 1.00 0.00 H new ATOM 0 HA ARG A 70 3.196 -14.500 6.871 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.321 -11.680 6.509 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.095 -12.135 7.675 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.720 -13.652 7.621 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.655 -12.082 8.397 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.407 -13.944 9.073 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.985 -14.429 9.660 1.00 0.00 H new ATOM 0 HE ARG A 70 3.385 -12.338 10.771 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.654 -13.054 9.717 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.405 -11.916 10.840 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.362 -10.867 12.203 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.120 -10.689 12.234 1.00 0.00 H new ATOM 1019 N LYS A 71 1.219 -13.560 5.650 1.00 0.00 N ATOM 1020 CA LYS A 71 0.096 -13.183 4.813 1.00 0.00 C ATOM 1021 C LYS A 71 -0.502 -11.874 5.306 1.00 0.00 C ATOM 1022 O LYS A 71 -0.700 -11.683 6.507 1.00 0.00 O ATOM 1023 CB LYS A 71 -0.966 -14.280 4.816 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.034 -13.937 3.777 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.139 -14.996 3.792 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.121 -14.721 2.649 1.00 0.00 C ATOM 1027 NZ LYS A 71 -3.522 -13.742 1.698 1.00 0.00 N ATOM 0 H LYS A 71 0.969 -14.057 6.505 1.00 0.00 H new ATOM 0 HA LYS A 71 0.452 -13.050 3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.513 -15.244 4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.416 -14.367 5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.457 -12.955 3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.584 -13.883 2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.707 -15.991 3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.662 -14.978 4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.358 -15.649 2.129 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.057 -14.330 3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.216 -13.505 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.255 -12.878 2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.677 -14.158 1.258 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.782 -10.973 4.375 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.352 -9.677 4.729 1.00 0.00 C ATOM 1043 C TYR A 72 -2.730 -9.481 4.114 1.00 0.00 C ATOM 1044 O TYR A 72 -3.023 -9.986 3.030 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.474 -8.540 4.213 1.00 0.00 C ATOM 1046 CG TYR A 72 0.916 -8.631 4.780 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.735 -9.721 4.468 1.00 0.00 C ATOM 1048 CD2 TYR A 72 1.388 -7.612 5.610 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.029 -9.789 4.991 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.681 -7.679 6.133 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.502 -8.768 5.822 1.00 0.00 C ATOM 1052 OH TYR A 72 4.777 -8.835 6.337 1.00 0.00 O ATOM 0 H TYR A 72 -0.626 -11.112 3.377 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.419 -9.661 5.817 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.429 -8.576 3.124 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.918 -7.582 4.483 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.369 -10.508 3.825 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.753 -6.772 5.848 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.664 -10.630 4.754 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.046 -6.892 6.776 1.00 0.00 H new ATOM 0 HH TYR A 72 4.827 -8.300 7.157 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.539 -8.684 4.792 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.863 -8.334 4.308 1.00 0.00 C ATOM 1064 C ILE A 73 -4.821 -6.873 3.920 1.00 0.00 C ATOM 1065 O ILE A 73 -4.446 -6.030 4.727 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.905 -8.549 5.400 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.839 -9.998 5.863 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.301 -8.246 4.852 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.745 -10.191 7.077 1.00 0.00 C ATOM 0 H ILE A 73 -3.298 -8.263 5.689 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.137 -8.960 3.459 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.703 -7.882 6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.149 -10.662 5.056 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.813 -10.262 6.117 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.041 -8.401 5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.342 -7.211 4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.515 -8.910 4.014 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.696 -11.229 7.406 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.415 -9.538 7.885 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.772 -9.944 6.808 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.178 -6.573 2.689 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.138 -5.197 2.228 1.00 0.00 C ATOM 1083 C VAL A 74 -6.540 -4.673 1.960 1.00 0.00 C ATOM 1084 O VAL A 74 -7.349 -5.328 1.302 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.298 -5.104 0.953 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.114 -3.634 0.574 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.924 -5.749 1.191 1.00 0.00 C ATOM 0 H VAL A 74 -5.495 -7.251 1.996 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.686 -4.585 3.009 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.806 -5.629 0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.516 -3.565 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.089 -3.178 0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.606 -3.110 1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.328 -5.681 0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.412 -5.227 2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.056 -6.797 1.461 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.813 -3.483 2.472 1.00 0.00 N ATOM 1098 CA ASN A 75 -8.113 -2.861 2.285 1.00 0.00 C ATOM 1099 C ASN A 75 -7.923 -1.408 1.875 1.00 0.00 C ATOM 1100 O ASN A 75 -7.248 -0.646 2.567 1.00 0.00 O ATOM 1101 CB ASN A 75 -8.913 -2.937 3.586 1.00 0.00 C ATOM 1102 CG ASN A 75 -8.804 -4.336 4.181 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.478 -5.261 3.726 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -7.984 -4.549 5.176 1.00 0.00 N ATOM 0 H ASN A 75 -6.153 -2.930 3.019 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.660 -3.387 1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.539 -2.200 4.297 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.958 -2.694 3.395 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.901 -5.483 5.578 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.427 -3.781 5.551 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.506 -1.027 0.748 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.368 0.343 0.270 1.00 0.00 C ATOM 1113 C VAL A 76 -9.665 1.119 0.464 1.00 0.00 C ATOM 1114 O VAL A 76 -10.733 0.684 0.032 1.00 0.00 O ATOM 1115 CB VAL A 76 -7.990 0.342 -1.211 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.662 1.770 -1.654 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.765 -0.552 -1.421 1.00 0.00 C ATOM 0 H VAL A 76 -9.071 -1.635 0.155 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.582 0.828 0.848 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.824 -0.038 -1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.392 1.770 -2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.533 2.407 -1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.827 2.151 -1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.493 -0.555 -2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.931 -0.170 -0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.998 -1.569 -1.104 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.557 2.278 1.103 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.721 3.121 1.333 1.00 0.00 C ATOM 1129 C TYR A 77 -10.524 4.463 0.649 1.00 0.00 C ATOM 1130 O TYR A 77 -9.444 5.049 0.722 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.928 3.361 2.835 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.990 2.041 3.566 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -12.173 1.293 3.564 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.863 1.567 4.248 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -12.229 0.070 4.244 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.919 0.343 4.926 1.00 0.00 C ATOM 1137 CZ TYR A 77 -11.102 -0.406 4.924 1.00 0.00 C ATOM 1138 OH TYR A 77 -11.158 -1.614 5.591 1.00 0.00 O ATOM 0 H TYR A 77 -8.681 2.652 1.468 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.596 2.614 0.926 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.113 3.967 3.230 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.849 3.920 2.999 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -13.042 1.659 3.038 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.951 2.145 4.251 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -13.142 -0.506 4.244 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.049 -0.024 5.451 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.291 -1.797 6.009 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.564 4.962 0.002 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.461 6.254 -0.660 1.00 0.00 C ATOM 1150 C GLN A 78 -12.109 7.304 0.225 1.00 0.00 C ATOM 1151 O GLN A 78 -13.174 7.069 0.798 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.146 6.222 -2.027 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.632 6.544 -1.870 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.374 6.207 -3.160 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -13.705 5.758 -4.189 1.00 0.00 O flip ATOM 1156 NE2 GLN A 78 -15.594 6.351 -3.231 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.472 4.505 -0.079 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.410 6.495 -0.820 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.677 6.944 -2.696 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.024 5.239 -2.482 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.051 5.975 -1.040 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.761 7.600 -1.631 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.114 6.702 -2.426 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.085 6.120 -4.094 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.456 8.449 0.362 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.978 9.503 1.215 1.00 0.00 C ATOM 1167 C ILE A 79 -12.679 10.570 0.392 1.00 0.00 C ATOM 1168 O ILE A 79 -12.109 11.139 -0.539 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.835 10.131 2.008 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -10.072 9.019 2.726 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.399 11.109 3.041 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.859 9.602 3.447 1.00 0.00 C ATOM 0 H ILE A 79 -10.574 8.669 -0.101 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.705 9.066 1.900 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.169 10.670 1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.726 8.521 3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.751 8.264 2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.580 11.555 3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.958 11.894 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -12.061 10.576 3.723 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.320 8.803 3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.200 10.080 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.190 10.340 4.178 1.00 0.00 H new ATOM 1184 N SER A 80 -13.925 10.832 0.755 1.00 0.00 N ATOM 1185 CA SER A 80 -14.721 11.826 0.066 1.00 0.00 C ATOM 1186 C SER A 80 -14.441 13.211 0.635 1.00 0.00 C ATOM 1187 O SER A 80 -13.856 13.344 1.709 1.00 0.00 O ATOM 1188 CB SER A 80 -16.198 11.489 0.224 1.00 0.00 C ATOM 1189 OG SER A 80 -16.561 11.604 1.593 1.00 0.00 O ATOM 0 H SER A 80 -14.405 10.367 1.526 1.00 0.00 H new ATOM 0 HA SER A 80 -14.459 11.824 -0.992 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.804 12.162 -0.383 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.392 10.477 -0.132 1.00 0.00 H new ATOM 0 HG SER A 80 -16.667 12.550 1.825 1.00 0.00 H new ATOM 1195 N GLU A 81 -14.861 14.239 -0.089 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.644 15.607 0.358 1.00 0.00 C ATOM 1197 C GLU A 81 -15.286 15.827 1.723 1.00 0.00 C ATOM 1198 O GLU A 81 -14.920 16.752 2.448 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.224 16.592 -0.658 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.429 16.504 -1.963 1.00 0.00 C ATOM 1201 CD GLU A 81 -14.940 17.544 -2.954 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -15.965 18.144 -2.678 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -14.296 17.726 -3.974 1.00 0.00 O ATOM 0 H GLU A 81 -15.350 14.153 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.571 15.778 0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.274 16.365 -0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.183 17.607 -0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -13.370 16.667 -1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.523 15.505 -2.390 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.239 14.969 2.075 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.912 15.085 3.362 1.00 0.00 C ATOM 1212 C ASP A 82 -16.206 14.238 4.422 1.00 0.00 C ATOM 1213 O ASP A 82 -16.597 14.241 5.589 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.375 14.652 3.234 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.486 13.439 2.319 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.776 13.406 1.329 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.283 12.565 2.618 1.00 0.00 O ATOM 0 H ASP A 82 -16.559 14.194 1.494 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.876 16.129 3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.779 14.413 4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.971 15.473 2.836 1.00 0.00 H new ATOM 1222 N GLY A 83 -15.153 13.532 4.014 1.00 0.00 N ATOM 1223 CA GLY A 83 -14.391 12.706 4.947 1.00 0.00 C ATOM 1224 C GLY A 83 -14.964 11.297 5.072 1.00 0.00 C ATOM 1225 O GLY A 83 -14.597 10.554 5.980 1.00 0.00 O ATOM 0 H GLY A 83 -14.811 13.515 3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.355 12.647 4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.384 13.182 5.928 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.860 10.931 4.164 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.460 9.600 4.208 1.00 0.00 C ATOM 1231 C GLU A 84 -15.553 8.571 3.536 1.00 0.00 C ATOM 1232 O GLU A 84 -15.021 8.813 2.452 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.824 9.622 3.515 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.753 10.579 4.263 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.986 10.080 5.686 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.696 8.922 5.941 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -19.449 10.862 6.498 1.00 0.00 O ATOM 0 H GLU A 84 -16.184 11.524 3.400 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.588 9.315 5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.713 9.940 2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -18.252 8.620 3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.316 11.577 4.287 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.704 10.659 3.737 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.391 7.418 4.182 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.554 6.358 3.631 1.00 0.00 C ATOM 1246 C GLN A 85 -15.410 5.235 3.064 1.00 0.00 C ATOM 1247 O GLN A 85 -16.431 4.862 3.643 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.632 5.784 4.711 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.473 6.746 4.968 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.615 6.233 6.118 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -12.112 5.529 6.998 1.00 0.00 O ATOM 1252 NE2 GLN A 85 -10.346 6.537 6.162 1.00 0.00 N ATOM 0 H GLN A 85 -15.824 7.196 5.079 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.953 6.792 2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -14.193 5.621 5.632 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.248 4.814 4.396 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.867 6.847 4.068 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.858 7.738 5.205 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.936 7.120 5.433 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.765 6.191 6.926 1.00 0.00 H new ATOM 1261 N SER A 86 -14.979 4.694 1.933 1.00 0.00 N ATOM 1262 CA SER A 86 -15.703 3.606 1.298 1.00 0.00 C ATOM 1263 C SER A 86 -14.731 2.541 0.819 1.00 0.00 C ATOM 1264 O SER A 86 -13.726 2.850 0.179 1.00 0.00 O ATOM 1265 CB SER A 86 -16.499 4.135 0.108 1.00 0.00 C ATOM 1266 OG SER A 86 -17.311 3.091 -0.415 1.00 0.00 O ATOM 0 H SER A 86 -14.136 4.990 1.440 1.00 0.00 H new ATOM 0 HA SER A 86 -16.386 3.169 2.027 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.121 4.975 0.416 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.822 4.505 -0.662 1.00 0.00 H new ATOM 0 HG SER A 86 -17.825 3.428 -1.178 1.00 0.00 H new ATOM 1272 N LEU A 87 -15.036 1.285 1.117 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.174 0.197 0.691 1.00 0.00 C ATOM 1274 C LEU A 87 -14.298 0.002 -0.811 1.00 0.00 C ATOM 1275 O LEU A 87 -15.380 -0.288 -1.323 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.557 -1.097 1.409 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.646 -2.230 0.937 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.209 -1.957 1.382 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.124 -3.552 1.542 1.00 0.00 C ATOM 0 H LEU A 87 -15.861 0.999 1.644 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.143 0.448 0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.466 -0.968 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.599 -1.344 1.205 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.680 -2.291 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.563 -2.767 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.867 -1.016 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.171 -1.893 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.475 -4.361 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.091 -3.488 2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.147 -3.750 1.221 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.188 0.170 -1.515 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.193 0.018 -2.960 1.00 0.00 C ATOM 1293 C ILE A 88 -12.460 -1.249 -3.375 1.00 0.00 C ATOM 1294 O ILE A 88 -12.698 -1.786 -4.457 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.538 1.239 -3.607 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.084 1.348 -3.142 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.295 2.503 -3.199 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.449 2.596 -3.760 1.00 0.00 C ATOM 0 H ILE A 88 -12.282 0.409 -1.113 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.226 -0.062 -3.298 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.567 1.130 -4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.041 1.404 -2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.528 0.458 -3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.827 3.372 -3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.331 2.430 -3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.268 2.609 -2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.413 2.678 -3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.480 2.520 -4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.001 3.480 -3.442 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.571 -1.731 -2.512 1.00 0.00 N ATOM 1311 CA LEU A 89 -10.823 -2.945 -2.820 1.00 0.00 C ATOM 1312 C LEU A 89 -10.313 -3.626 -1.555 1.00 0.00 C ATOM 1313 O LEU A 89 -9.621 -3.013 -0.741 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.643 -2.623 -3.737 1.00 0.00 C ATOM 1315 CG LEU A 89 -8.952 -3.925 -4.145 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -9.899 -4.767 -5.004 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.693 -3.603 -4.950 1.00 0.00 C ATOM 0 H LEU A 89 -11.353 -1.309 -1.609 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.504 -3.629 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.990 -2.089 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.938 -1.968 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.683 -4.484 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.402 -5.693 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.798 -5.000 -4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.172 -4.208 -5.899 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.200 -4.531 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.966 -3.041 -5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.014 -3.007 -4.340 1.00 0.00 H new ATOM 1329 N SER A 90 -10.648 -4.905 -1.411 1.00 0.00 N ATOM 1330 CA SER A 90 -10.210 -5.684 -0.258 1.00 0.00 C ATOM 1331 C SER A 90 -9.653 -7.025 -0.733 1.00 0.00 C ATOM 1332 O SER A 90 -10.392 -7.861 -1.254 1.00 0.00 O ATOM 1333 CB SER A 90 -11.388 -5.920 0.688 1.00 0.00 C ATOM 1334 OG SER A 90 -10.909 -6.472 1.906 1.00 0.00 O ATOM 0 H SER A 90 -11.221 -5.423 -2.078 1.00 0.00 H new ATOM 0 HA SER A 90 -9.432 -5.135 0.274 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.908 -4.982 0.880 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.109 -6.596 0.228 1.00 0.00 H new ATOM 0 HG SER A 90 -10.568 -5.754 2.479 1.00 0.00 H new ATOM 1340 N THR A 91 -8.347 -7.222 -0.564 1.00 0.00 N ATOM 1341 CA THR A 91 -7.714 -8.464 -1.000 1.00 0.00 C ATOM 1342 C THR A 91 -6.573 -8.851 -0.069 1.00 0.00 C ATOM 1343 O THR A 91 -6.038 -8.014 0.648 1.00 0.00 O ATOM 1344 CB THR A 91 -7.175 -8.298 -2.422 1.00 0.00 C ATOM 1345 OG1 THR A 91 -6.884 -9.576 -2.971 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.901 -7.450 -2.390 1.00 0.00 C ATOM 0 H THR A 91 -7.714 -6.547 -0.134 1.00 0.00 H new ATOM 0 HA THR A 91 -8.464 -9.255 -0.978 1.00 0.00 H new ATOM 0 HB THR A 91 -7.924 -7.802 -3.039 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.540 -9.470 -3.883 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.517 -7.332 -3.403 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.127 -6.469 -1.971 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.150 -7.944 -1.773 1.00 0.00 H new ATOM 1354 N SER A 92 -6.201 -10.124 -0.095 1.00 0.00 N ATOM 1355 CA SER A 92 -5.114 -10.608 0.747 1.00 0.00 C ATOM 1356 C SER A 92 -3.967 -11.124 -0.114 1.00 0.00 C ATOM 1357 O SER A 92 -4.175 -11.554 -1.247 1.00 0.00 O ATOM 1358 CB SER A 92 -5.618 -11.730 1.652 1.00 0.00 C ATOM 1359 OG SER A 92 -5.966 -12.851 0.850 1.00 0.00 O ATOM 0 H SER A 92 -6.632 -10.836 -0.685 1.00 0.00 H new ATOM 0 HA SER A 92 -4.754 -9.782 1.360 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.848 -12.007 2.372 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.483 -11.393 2.223 1.00 0.00 H new ATOM 0 HG SER A 92 -6.289 -13.576 1.424 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.759 -11.087 0.435 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.591 -11.562 -0.293 1.00 0.00 C ATOM 1367 C GLN A 93 -0.661 -12.337 0.622 1.00 0.00 C ATOM 1368 O GLN A 93 -0.657 -12.148 1.838 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.818 -10.393 -0.904 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.637 -9.742 -2.017 1.00 0.00 C ATOM 1371 CD GLN A 93 -0.777 -8.716 -2.747 1.00 0.00 C ATOM 1372 OE1 GLN A 93 0.457 -8.519 -2.355 1.00 0.00 O flip ATOM 1373 NE2 GLN A 93 -1.234 -8.082 -3.699 1.00 0.00 N flip ATOM 0 H GLN A 93 -2.564 -10.736 1.373 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.948 -12.217 -1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.589 -9.657 -0.133 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.134 -10.745 -1.302 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.989 -10.501 -2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.521 -9.260 -1.599 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.196 -8.238 -4.001 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.651 -7.401 -4.185 1.00 0.00 H new ATOM 1382 N THR A 94 0.131 -13.203 0.016 1.00 0.00 N ATOM 1383 CA THR A 94 1.081 -14.011 0.756 1.00 0.00 C ATOM 1384 C THR A 94 2.485 -13.764 0.217 1.00 0.00 C ATOM 1385 O THR A 94 2.818 -14.189 -0.888 1.00 0.00 O ATOM 1386 CB THR A 94 0.707 -15.482 0.598 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.610 -15.573 0.074 1.00 0.00 O ATOM 1388 CG2 THR A 94 0.762 -16.184 1.955 1.00 0.00 C ATOM 0 H THR A 94 0.134 -13.365 -0.991 1.00 0.00 H new ATOM 0 HA THR A 94 1.058 -13.744 1.812 1.00 0.00 H new ATOM 0 HB THR A 94 1.412 -15.963 -0.081 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.856 -16.516 -0.032 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.494 -17.233 1.833 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.771 -16.112 2.361 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.061 -15.707 2.640 1.00 0.00 H new ATOM 1396 N THR A 95 3.299 -13.061 0.997 1.00 0.00 N ATOM 1397 CA THR A 95 4.659 -12.749 0.574 1.00 0.00 C ATOM 1398 C THR A 95 5.409 -14.020 0.188 1.00 0.00 C ATOM 1399 O THR A 95 4.758 -15.032 -0.011 1.00 0.00 O ATOM 1400 CB THR A 95 5.410 -12.035 1.700 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.362 -12.829 2.879 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.760 -10.677 1.970 1.00 0.00 C ATOM 1403 OXT THR A 95 6.625 -13.962 0.098 1.00 0.00 O ATOM 0 H THR A 95 3.044 -12.700 1.916 1.00 0.00 H new ATOM 0 HA THR A 95 4.603 -12.095 -0.296 1.00 0.00 H new ATOM 0 HB THR A 95 6.449 -11.885 1.405 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.461 -12.792 3.262 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.296 -10.170 2.772 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.799 -10.069 1.066 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.721 -10.823 2.264 1.00 0.00 H new