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= -0.253 K(o=0.98,f=-2.6) USER MOD Set 1.2: A 90 SER OG : rot 77:sc= 1.24 USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0.16 USER MOD Set 2.2: A 62 ASN : amide:sc= -0.992 X(o=-0.83,f=-0.91) USER MOD Set 3.1: A 40 TYR OH : rot 143:sc= 0.34! USER MOD Set 3.2: A 50 GLN : amide:sc= -3.36! C(o=-3!,f=-11!) USER MOD Single : A 20 SER OG : rot -82:sc= -3.39! 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 -160:sc= -0.0714 USER MOD Single : A 43 SER OG : rot 110:sc= -1.47 USER MOD Single : A 51 TYR OH : rot 109:sc= -0.0797! 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 180:sc= -0.806 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -2.19! C(o=-3!,f=-2.2!) USER MOD Single : A 80 SER OG : rot 180:sc= -2.51! USER MOD Single : A 85 GLN :FLIP amide:sc= -1.33 F(o=-3.1!,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 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -3.02! C(o=-5.9!,f=-3!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -80:sc= 1.44 USER MOD ----------------------------------------------------------------- ATOM 263 N SER A 20 9.677 -8.151 0.273 1.00 0.00 N ATOM 264 CA SER A 20 8.365 -8.748 0.051 1.00 0.00 C ATOM 265 C SER A 20 7.306 -7.668 -0.131 1.00 0.00 C ATOM 266 O SER A 20 6.165 -7.822 0.303 1.00 0.00 O ATOM 267 CB SER A 20 7.986 -9.636 1.233 1.00 0.00 C ATOM 268 OG SER A 20 8.152 -8.904 2.440 1.00 0.00 O ATOM 0 HA SER A 20 8.414 -9.351 -0.856 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.953 -9.970 1.136 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.610 -10.529 1.247 1.00 0.00 H new ATOM 0 HG SER A 20 9.093 -8.931 2.712 1.00 0.00 H new ATOM 274 N SER A 21 7.697 -6.573 -0.770 1.00 0.00 N ATOM 275 CA SER A 21 6.779 -5.465 -1.001 1.00 0.00 C ATOM 276 C SER A 21 5.614 -5.904 -1.877 1.00 0.00 C ATOM 277 O SER A 21 5.679 -6.933 -2.548 1.00 0.00 O ATOM 278 CB SER A 21 7.503 -4.325 -1.711 1.00 0.00 C ATOM 279 OG SER A 21 7.418 -4.539 -3.110 1.00 0.00 O ATOM 0 H SER A 21 8.638 -6.428 -1.136 1.00 0.00 H new ATOM 0 HA SER A 21 6.406 -5.134 -0.032 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.053 -3.368 -1.446 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.546 -4.285 -1.397 1.00 0.00 H new ATOM 0 HG SER A 21 7.878 -3.813 -3.581 1.00 0.00 H new ATOM 285 N PHE A 22 4.562 -5.095 -1.885 1.00 0.00 N ATOM 286 CA PHE A 22 3.393 -5.381 -2.706 1.00 0.00 C ATOM 287 C PHE A 22 3.014 -4.165 -3.532 1.00 0.00 C ATOM 288 O PHE A 22 3.155 -3.032 -3.086 1.00 0.00 O ATOM 289 CB PHE A 22 2.165 -5.714 -1.851 1.00 0.00 C ATOM 290 CG PHE A 22 2.278 -7.015 -1.094 1.00 0.00 C ATOM 291 CD1 PHE A 22 3.096 -8.072 -1.529 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.502 -7.163 0.058 1.00 0.00 C ATOM 293 CE1 PHE A 22 3.128 -9.269 -0.803 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.541 -8.356 0.783 1.00 0.00 C ATOM 295 CZ PHE A 22 2.351 -9.408 0.352 1.00 0.00 C ATOM 0 H PHE A 22 4.494 -4.239 -1.334 1.00 0.00 H new ATOM 0 HA PHE A 22 3.663 -6.230 -3.334 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.000 -4.905 -1.140 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.287 -5.756 -2.495 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.697 -7.961 -2.419 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.870 -6.352 0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.753 -10.085 -1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.945 -8.465 1.677 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.378 -10.331 0.912 1.00 0.00 H new ATOM 305 N VAL A 23 2.478 -4.412 -4.713 1.00 0.00 N ATOM 306 CA VAL A 23 2.017 -3.327 -5.560 1.00 0.00 C ATOM 307 C VAL A 23 0.554 -3.568 -5.896 1.00 0.00 C ATOM 308 O VAL A 23 0.227 -4.403 -6.738 1.00 0.00 O ATOM 309 CB VAL A 23 2.847 -3.241 -6.843 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.132 -2.339 -7.846 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.219 -2.650 -6.520 1.00 0.00 C ATOM 0 H VAL A 23 2.352 -5.345 -5.105 1.00 0.00 H new ATOM 0 HA VAL A 23 2.131 -2.381 -5.030 1.00 0.00 H new ATOM 0 HB VAL A 23 2.969 -4.237 -7.268 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.720 -2.275 -8.762 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.150 -2.754 -8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.014 -1.343 -7.420 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.812 -2.588 -7.432 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.095 -1.652 -6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.729 -3.288 -5.798 1.00 0.00 H new ATOM 321 N VAL A 24 -0.327 -2.849 -5.211 1.00 0.00 N ATOM 322 CA VAL A 24 -1.756 -3.017 -5.425 1.00 0.00 C ATOM 323 C VAL A 24 -2.368 -1.786 -6.069 1.00 0.00 C ATOM 324 O VAL A 24 -2.062 -0.654 -5.696 1.00 0.00 O ATOM 325 CB VAL A 24 -2.449 -3.287 -4.089 1.00 0.00 C ATOM 326 CG1 VAL A 24 -3.963 -3.328 -4.303 1.00 0.00 C ATOM 327 CG2 VAL A 24 -1.977 -4.634 -3.530 1.00 0.00 C ATOM 0 H VAL A 24 -0.079 -2.151 -4.510 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.898 -3.863 -6.098 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.200 -2.494 -3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.460 -3.520 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.300 -2.371 -4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.209 -4.122 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.471 -4.826 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.226 -5.428 -4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.898 -4.608 -3.380 1.00 0.00 H new ATOM 337 N SER A 25 -3.249 -2.021 -7.034 1.00 0.00 N ATOM 338 CA SER A 25 -3.917 -0.929 -7.721 1.00 0.00 C ATOM 339 C SER A 25 -5.426 -1.103 -7.625 1.00 0.00 C ATOM 340 O SER A 25 -5.924 -2.221 -7.501 1.00 0.00 O ATOM 341 CB SER A 25 -3.485 -0.877 -9.185 1.00 0.00 C ATOM 342 OG SER A 25 -3.961 -2.034 -9.858 1.00 0.00 O ATOM 0 H SER A 25 -3.514 -2.952 -7.355 1.00 0.00 H new ATOM 0 HA SER A 25 -3.636 0.010 -7.244 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.879 0.022 -9.660 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.398 -0.824 -9.254 1.00 0.00 H new ATOM 0 HG SER A 25 -3.686 -2.002 -10.798 1.00 0.00 H new ATOM 348 N TRP A 26 -6.149 0.008 -7.672 1.00 0.00 N ATOM 349 CA TRP A 26 -7.598 -0.039 -7.578 1.00 0.00 C ATOM 350 C TRP A 26 -8.224 1.011 -8.480 1.00 0.00 C ATOM 351 O TRP A 26 -7.523 1.737 -9.185 1.00 0.00 O ATOM 352 CB TRP A 26 -8.024 0.213 -6.133 1.00 0.00 C ATOM 353 CG TRP A 26 -7.385 1.475 -5.649 1.00 0.00 C ATOM 354 CD1 TRP A 26 -7.884 2.720 -5.824 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.133 1.636 -4.921 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.021 3.633 -5.248 1.00 0.00 N ATOM 357 CE2 TRP A 26 -5.927 3.013 -4.677 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.171 0.726 -4.450 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -4.802 3.475 -3.995 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.037 1.187 -3.761 1.00 0.00 C ATOM 361 CH2 TRP A 26 -3.853 2.557 -3.534 1.00 0.00 C ATOM 0 H TRP A 26 -5.758 0.945 -7.774 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.938 -1.024 -7.897 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.109 0.292 -6.069 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.728 -0.625 -5.502 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.806 2.961 -6.331 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.173 4.642 -5.245 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.304 -0.332 -4.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -4.665 4.533 -3.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.302 0.481 -3.404 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -2.979 2.904 -3.003 1.00 0.00 H new ATOM 372 N VAL A 27 -9.546 1.091 -8.445 1.00 0.00 N ATOM 373 CA VAL A 27 -10.263 2.060 -9.255 1.00 0.00 C ATOM 374 C VAL A 27 -10.821 3.164 -8.368 1.00 0.00 C ATOM 375 O VAL A 27 -11.419 2.893 -7.326 1.00 0.00 O ATOM 376 CB VAL A 27 -11.403 1.366 -10.004 1.00 0.00 C ATOM 377 CG1 VAL A 27 -12.128 2.374 -10.895 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.826 0.244 -10.872 1.00 0.00 C ATOM 0 H VAL A 27 -10.141 0.498 -7.866 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.576 2.499 -9.979 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.109 0.951 -9.284 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.938 1.874 -11.425 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.537 3.175 -10.280 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.426 2.793 -11.616 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.634 -0.254 -11.408 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.121 0.665 -11.589 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.312 -0.479 -10.238 1.00 0.00 H new ATOM 388 N SER A 28 -10.613 4.408 -8.777 1.00 0.00 N ATOM 389 CA SER A 28 -11.095 5.538 -7.996 1.00 0.00 C ATOM 390 C SER A 28 -12.588 5.408 -7.737 1.00 0.00 C ATOM 391 O SER A 28 -13.087 5.817 -6.688 1.00 0.00 O ATOM 392 CB SER A 28 -10.831 6.841 -8.746 1.00 0.00 C ATOM 393 OG SER A 28 -11.587 6.849 -9.951 1.00 0.00 O ATOM 0 H SER A 28 -10.120 4.658 -9.634 1.00 0.00 H new ATOM 0 HA SER A 28 -10.565 5.547 -7.044 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.105 7.694 -8.125 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.768 6.937 -8.969 1.00 0.00 H new ATOM 0 HG SER A 28 -11.422 7.685 -10.435 1.00 0.00 H new ATOM 446 N VAL A 33 -13.422 11.722 -4.727 1.00 0.00 N ATOM 447 CA VAL A 33 -12.515 11.318 -3.664 1.00 0.00 C ATOM 448 C VAL A 33 -11.479 12.407 -3.427 1.00 0.00 C ATOM 449 O VAL A 33 -10.965 13.004 -4.374 1.00 0.00 O ATOM 450 CB VAL A 33 -11.817 10.005 -4.041 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.264 10.096 -5.464 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.661 9.733 -3.076 1.00 0.00 C ATOM 0 HA VAL A 33 -13.086 11.165 -2.749 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.544 9.195 -3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.770 9.159 -5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.082 10.280 -6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.546 10.914 -5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.170 8.799 -3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.942 10.550 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.046 9.656 -2.059 1.00 0.00 H new ATOM 462 N SER A 34 -11.177 12.665 -2.162 1.00 0.00 N ATOM 463 CA SER A 34 -10.199 13.690 -1.824 1.00 0.00 C ATOM 464 C SER A 34 -8.832 13.050 -1.646 1.00 0.00 C ATOM 465 O SER A 34 -7.802 13.723 -1.684 1.00 0.00 O ATOM 466 CB SER A 34 -10.610 14.402 -0.533 1.00 0.00 C ATOM 467 OG SER A 34 -11.621 15.358 -0.823 1.00 0.00 O ATOM 0 H SER A 34 -11.589 12.186 -1.362 1.00 0.00 H new ATOM 0 HA SER A 34 -10.154 14.421 -2.631 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.977 13.677 0.194 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.747 14.894 -0.085 1.00 0.00 H new ATOM 0 HG SER A 34 -11.663 16.019 -0.101 1.00 0.00 H new ATOM 473 N GLY A 35 -8.841 11.737 -1.471 1.00 0.00 N ATOM 474 CA GLY A 35 -7.610 10.981 -1.300 1.00 0.00 C ATOM 475 C GLY A 35 -7.932 9.512 -1.073 1.00 0.00 C ATOM 476 O GLY A 35 -9.098 9.129 -1.019 1.00 0.00 O ATOM 0 H GLY A 35 -9.690 11.172 -1.444 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.979 11.092 -2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.046 11.374 -0.454 1.00 0.00 H new ATOM 480 N PHE A 36 -6.901 8.695 -0.931 1.00 0.00 N ATOM 481 CA PHE A 36 -7.105 7.273 -0.698 1.00 0.00 C ATOM 482 C PHE A 36 -6.343 6.819 0.534 1.00 0.00 C ATOM 483 O PHE A 36 -5.305 7.377 0.878 1.00 0.00 O ATOM 484 CB PHE A 36 -6.638 6.459 -1.906 1.00 0.00 C ATOM 485 CG PHE A 36 -7.541 6.724 -3.084 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.699 5.957 -3.270 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.219 7.736 -3.994 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.533 6.205 -4.367 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.051 7.983 -5.090 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.208 7.219 -5.277 1.00 0.00 C ATOM 0 H PHE A 36 -5.924 8.987 -0.972 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.171 7.109 -0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.611 6.722 -2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.644 5.396 -1.664 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.948 5.175 -2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.327 8.327 -3.850 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.426 5.615 -4.511 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.800 8.764 -5.793 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.851 7.411 -6.123 1.00 0.00 H new ATOM 500 N ARG A 37 -6.858 5.789 1.184 1.00 0.00 N ATOM 501 CA ARG A 37 -6.208 5.251 2.363 1.00 0.00 C ATOM 502 C ARG A 37 -6.090 3.744 2.226 1.00 0.00 C ATOM 503 O ARG A 37 -7.089 3.040 2.078 1.00 0.00 O ATOM 504 CB ARG A 37 -7.007 5.597 3.621 1.00 0.00 C ATOM 505 CG ARG A 37 -6.171 5.265 4.861 1.00 0.00 C ATOM 506 CD ARG A 37 -6.944 5.653 6.124 1.00 0.00 C ATOM 507 NE ARG A 37 -7.995 4.678 6.393 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.369 4.394 7.637 1.00 0.00 C ATOM 509 NH1 ARG A 37 -7.796 4.993 8.643 1.00 0.00 N ATOM 510 NH2 ARG A 37 -9.310 3.513 7.848 1.00 0.00 N ATOM 0 H ARG A 37 -7.719 5.312 0.916 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.215 5.691 2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.270 6.655 3.619 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.941 5.036 3.638 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.937 4.201 4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.222 5.800 4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.263 5.707 6.973 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.381 6.644 6.001 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.451 4.205 5.613 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.061 5.680 8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.083 4.775 9.597 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.756 3.045 7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.599 3.293 8.801 1.00 0.00 H new ATOM 524 N VAL A 38 -4.862 3.257 2.277 1.00 0.00 N ATOM 525 CA VAL A 38 -4.624 1.826 2.157 1.00 0.00 C ATOM 526 C VAL A 38 -4.235 1.251 3.507 1.00 0.00 C ATOM 527 O VAL A 38 -3.380 1.798 4.198 1.00 0.00 O ATOM 528 CB VAL A 38 -3.518 1.555 1.136 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.290 0.048 1.016 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.937 2.113 -0.226 1.00 0.00 C ATOM 0 H VAL A 38 -4.022 3.823 2.399 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.541 1.346 1.815 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.597 2.037 1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.502 -0.144 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.995 -0.354 1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.211 -0.434 0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.150 1.921 -0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.858 1.629 -0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.102 3.187 -0.144 1.00 0.00 H new ATOM 540 N GLU A 39 -4.866 0.151 3.887 1.00 0.00 N ATOM 541 CA GLU A 39 -4.561 -0.462 5.169 1.00 0.00 C ATOM 542 C GLU A 39 -4.081 -1.890 4.978 1.00 0.00 C ATOM 543 O GLU A 39 -4.687 -2.667 4.241 1.00 0.00 O ATOM 544 CB GLU A 39 -5.804 -0.474 6.056 1.00 0.00 C ATOM 545 CG GLU A 39 -5.418 -0.930 7.466 1.00 0.00 C ATOM 546 CD GLU A 39 -6.667 -1.121 8.320 1.00 0.00 C ATOM 547 OE1 GLU A 39 -7.755 -0.954 7.793 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.518 -1.435 9.490 1.00 0.00 O ATOM 0 H GLU A 39 -5.579 -0.328 3.337 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.774 0.124 5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.248 0.521 6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.556 -1.144 5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.859 -1.864 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.763 -0.192 7.928 1.00 0.00 H new ATOM 555 N TYR A 40 -2.998 -2.237 5.659 1.00 0.00 N ATOM 556 CA TYR A 40 -2.466 -3.583 5.563 1.00 0.00 C ATOM 557 C TYR A 40 -2.017 -4.082 6.930 1.00 0.00 C ATOM 558 O TYR A 40 -1.288 -3.398 7.648 1.00 0.00 O ATOM 559 CB TYR A 40 -1.306 -3.629 4.563 1.00 0.00 C ATOM 560 CG TYR A 40 -0.144 -2.811 5.069 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.067 -1.445 4.768 1.00 0.00 C ATOM 562 CD2 TYR A 40 0.865 -3.419 5.826 1.00 0.00 C ATOM 563 CE1 TYR A 40 1.017 -0.688 5.224 1.00 0.00 C ATOM 564 CE2 TYR A 40 1.951 -2.661 6.280 1.00 0.00 C ATOM 565 CZ TYR A 40 2.026 -1.295 5.980 1.00 0.00 C ATOM 566 OH TYR A 40 3.097 -0.548 6.424 1.00 0.00 O ATOM 0 H TYR A 40 -2.478 -1.612 6.276 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.257 -4.241 5.204 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.992 -4.661 4.407 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.635 -3.247 3.597 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.845 -0.976 4.184 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.806 -4.472 6.059 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.075 0.365 4.993 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.731 -3.130 6.862 1.00 0.00 H new ATOM 0 HH TYR A 40 3.356 -0.849 7.320 1.00 0.00 H new ATOM 576 N GLU A 41 -2.461 -5.284 7.277 1.00 0.00 N ATOM 577 CA GLU A 41 -2.111 -5.887 8.555 1.00 0.00 C ATOM 578 C GLU A 41 -1.905 -7.385 8.373 1.00 0.00 C ATOM 579 O GLU A 41 -2.340 -7.963 7.377 1.00 0.00 O ATOM 580 CB GLU A 41 -3.215 -5.634 9.583 1.00 0.00 C ATOM 581 CG GLU A 41 -4.447 -6.469 9.228 1.00 0.00 C ATOM 582 CD GLU A 41 -5.576 -6.175 10.209 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.295 -5.611 11.253 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.706 -6.524 9.905 1.00 0.00 O ATOM 0 H GLU A 41 -3.065 -5.860 6.690 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.188 -5.436 8.918 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.863 -5.893 10.581 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.473 -4.575 9.601 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.769 -6.243 8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.198 -7.530 9.255 1.00 0.00 H new ATOM 591 N LEU A 42 -1.230 -8.012 9.326 1.00 0.00 N ATOM 592 CA LEU A 42 -0.969 -9.444 9.238 1.00 0.00 C ATOM 593 C LEU A 42 -2.211 -10.266 9.548 1.00 0.00 C ATOM 594 O LEU A 42 -2.900 -10.026 10.539 1.00 0.00 O ATOM 595 CB LEU A 42 0.152 -9.823 10.200 1.00 0.00 C ATOM 596 CG LEU A 42 1.478 -9.281 9.667 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.521 -9.301 10.782 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.954 -10.166 8.513 1.00 0.00 C ATOM 0 H LEU A 42 -0.856 -7.559 10.160 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.671 -9.665 8.213 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.049 -9.415 11.190 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.205 -10.906 10.306 1.00 0.00 H new ATOM 0 HG LEU A 42 1.341 -8.258 9.316 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.467 -8.915 10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.181 -8.679 11.610 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.661 -10.324 11.131 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.900 -9.785 8.128 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.093 -11.186 8.870 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.209 -10.158 7.717 1.00 0.00 H new ATOM 610 N SER A 43 -2.478 -11.246 8.692 1.00 0.00 N ATOM 611 CA SER A 43 -3.631 -12.119 8.876 1.00 0.00 C ATOM 612 C SER A 43 -3.335 -13.160 9.952 1.00 0.00 C ATOM 613 O SER A 43 -4.241 -13.828 10.451 1.00 0.00 O ATOM 614 CB SER A 43 -3.959 -12.832 7.565 1.00 0.00 C ATOM 615 OG SER A 43 -3.079 -13.935 7.400 1.00 0.00 O ATOM 0 H SER A 43 -1.915 -11.455 7.868 1.00 0.00 H new ATOM 0 HA SER A 43 -4.482 -11.511 9.184 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.994 -13.175 7.573 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.858 -12.142 6.727 1.00 0.00 H new ATOM 0 HG SER A 43 -3.579 -14.771 7.508 1.00 0.00 H new ATOM 621 N GLU A 44 -2.057 -13.299 10.297 1.00 0.00 N ATOM 622 CA GLU A 44 -1.646 -14.269 11.306 1.00 0.00 C ATOM 623 C GLU A 44 -1.416 -13.594 12.653 1.00 0.00 C ATOM 624 O GLU A 44 -2.224 -13.727 13.573 1.00 0.00 O ATOM 625 CB GLU A 44 -0.350 -14.958 10.865 1.00 0.00 C ATOM 626 CG GLU A 44 -0.556 -15.615 9.499 1.00 0.00 C ATOM 627 CD GLU A 44 0.711 -16.354 9.079 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.721 -16.183 9.740 1.00 0.00 O ATOM 629 OE2 GLU A 44 0.650 -17.080 8.101 1.00 0.00 O ATOM 0 H GLU A 44 -1.293 -12.755 9.895 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.444 -15.004 11.413 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.460 -14.231 10.811 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.057 -15.708 11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.394 -16.310 9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.808 -14.858 8.757 1.00 0.00 H new ATOM 685 N PRO A 49 -2.440 -2.532 12.763 1.00 0.00 N ATOM 686 CA PRO A 49 -2.792 -2.123 11.375 1.00 0.00 C ATOM 687 C PRO A 49 -2.067 -0.848 10.968 1.00 0.00 C ATOM 688 O PRO A 49 -1.896 0.066 11.774 1.00 0.00 O ATOM 689 CB PRO A 49 -4.305 -1.903 11.418 1.00 0.00 C ATOM 690 CG PRO A 49 -4.638 -1.668 12.856 1.00 0.00 C ATOM 691 CD PRO A 49 -3.588 -2.419 13.676 1.00 0.00 C ATOM 0 HA PRO A 49 -2.499 -2.873 10.640 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.594 -1.050 10.804 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.838 -2.771 11.029 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.622 -0.603 13.088 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.640 -2.030 13.086 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.325 -1.875 14.583 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.950 -3.399 13.986 1.00 0.00 H new ATOM 699 N GLN A 50 -1.650 -0.792 9.713 1.00 0.00 N ATOM 700 CA GLN A 50 -0.950 0.378 9.207 1.00 0.00 C ATOM 701 C GLN A 50 -1.757 1.005 8.081 1.00 0.00 C ATOM 702 O GLN A 50 -2.408 0.298 7.316 1.00 0.00 O ATOM 703 CB GLN A 50 0.432 -0.033 8.699 1.00 0.00 C ATOM 704 CG GLN A 50 1.191 -0.730 9.829 1.00 0.00 C ATOM 705 CD GLN A 50 2.135 -1.780 9.257 1.00 0.00 C ATOM 706 OE1 GLN A 50 3.044 -1.451 8.492 1.00 0.00 O ATOM 707 NE2 GLN A 50 1.971 -3.035 9.581 1.00 0.00 N ATOM 0 H GLN A 50 -1.783 -1.538 9.030 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.831 1.108 10.008 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.335 -0.701 7.843 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.984 0.843 8.359 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.756 0.003 10.404 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.486 -1.199 10.516 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.218 -3.304 10.214 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.596 -3.746 9.201 1.00 0.00 H new ATOM 716 N TYR A 51 -1.723 2.328 7.988 1.00 0.00 N ATOM 717 CA TYR A 51 -2.476 3.015 6.946 1.00 0.00 C ATOM 718 C TYR A 51 -1.582 3.923 6.114 1.00 0.00 C ATOM 719 O TYR A 51 -0.746 4.655 6.647 1.00 0.00 O ATOM 720 CB TYR A 51 -3.587 3.857 7.571 1.00 0.00 C ATOM 721 CG TYR A 51 -4.576 2.968 8.286 1.00 0.00 C ATOM 722 CD1 TYR A 51 -5.674 2.442 7.595 1.00 0.00 C ATOM 723 CD2 TYR A 51 -4.404 2.684 9.646 1.00 0.00 C ATOM 724 CE1 TYR A 51 -6.598 1.631 8.265 1.00 0.00 C ATOM 725 CE2 TYR A 51 -5.329 1.874 10.314 1.00 0.00 C ATOM 726 CZ TYR A 51 -6.427 1.348 9.624 1.00 0.00 C ATOM 727 OH TYR A 51 -7.338 0.549 10.282 1.00 0.00 O ATOM 0 H TYR A 51 -1.192 2.938 8.609 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.901 2.252 6.295 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.159 4.574 8.271 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.097 4.432 6.798 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.808 2.662 6.546 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.557 3.090 10.180 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.444 1.223 7.732 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.195 1.655 11.363 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.928 -0.318 10.483 1.00 0.00 H new ATOM 737 N LEU A 52 -1.793 3.890 4.805 1.00 0.00 N ATOM 738 CA LEU A 52 -1.040 4.730 3.891 1.00 0.00 C ATOM 739 C LEU A 52 -2.001 5.682 3.198 1.00 0.00 C ATOM 740 O LEU A 52 -3.015 5.258 2.641 1.00 0.00 O ATOM 741 CB LEU A 52 -0.319 3.869 2.854 1.00 0.00 C ATOM 742 CG LEU A 52 0.555 2.846 3.575 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.235 1.934 2.551 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.621 3.578 4.395 1.00 0.00 C ATOM 0 H LEU A 52 -2.482 3.288 4.354 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.293 5.297 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.044 3.362 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.293 4.495 2.205 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.066 2.242 4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.858 1.205 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.476 1.413 1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.856 2.534 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.247 2.850 4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.239 4.182 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.137 4.224 5.127 1.00 0.00 H new ATOM 756 N ASP A 53 -1.695 6.966 3.249 1.00 0.00 N ATOM 757 CA ASP A 53 -2.563 7.959 2.634 1.00 0.00 C ATOM 758 C ASP A 53 -2.020 8.399 1.282 1.00 0.00 C ATOM 759 O ASP A 53 -0.840 8.724 1.145 1.00 0.00 O ATOM 760 CB ASP A 53 -2.712 9.165 3.556 1.00 0.00 C ATOM 761 CG ASP A 53 -3.343 8.735 4.876 1.00 0.00 C ATOM 762 OD1 ASP A 53 -4.107 7.784 4.864 1.00 0.00 O ATOM 763 OD2 ASP A 53 -3.050 9.361 5.882 1.00 0.00 O ATOM 0 H ASP A 53 -0.864 7.344 3.703 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.541 7.505 2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.737 9.616 3.739 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.330 9.925 3.078 1.00 0.00 H new ATOM 768 N LEU A 54 -2.898 8.394 0.287 1.00 0.00 N ATOM 769 CA LEU A 54 -2.522 8.779 -1.065 1.00 0.00 C ATOM 770 C LEU A 54 -3.506 9.824 -1.593 1.00 0.00 C ATOM 771 O LEU A 54 -4.646 9.890 -1.137 1.00 0.00 O ATOM 772 CB LEU A 54 -2.555 7.546 -1.976 1.00 0.00 C ATOM 773 CG LEU A 54 -2.024 6.322 -1.224 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.511 5.051 -1.918 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.496 6.348 -1.226 1.00 0.00 C ATOM 0 H LEU A 54 -3.877 8.127 0.392 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.516 9.199 -1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.575 7.361 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.952 7.726 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.387 6.339 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.134 4.178 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.601 5.033 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.146 5.034 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.117 5.477 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.133 6.329 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.147 7.256 -0.735 1.00 0.00 H new ATOM 787 N PRO A 55 -3.099 10.629 -2.540 1.00 0.00 N ATOM 788 CA PRO A 55 -3.983 11.677 -3.123 1.00 0.00 C ATOM 789 C PRO A 55 -5.094 11.080 -3.984 1.00 0.00 C ATOM 790 O PRO A 55 -4.987 9.951 -4.460 1.00 0.00 O ATOM 791 CB PRO A 55 -3.040 12.543 -3.960 1.00 0.00 C ATOM 792 CG PRO A 55 -1.841 11.699 -4.246 1.00 0.00 C ATOM 793 CD PRO A 55 -1.759 10.632 -3.152 1.00 0.00 C ATOM 0 HA PRO A 55 -4.501 12.244 -2.350 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.522 12.861 -4.885 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.759 13.447 -3.420 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.924 11.235 -5.229 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.937 12.308 -4.256 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.510 9.656 -3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.988 10.873 -2.420 1.00 0.00 H new ATOM 801 N SER A 56 -6.158 11.854 -4.175 1.00 0.00 N ATOM 802 CA SER A 56 -7.292 11.402 -4.977 1.00 0.00 C ATOM 803 C SER A 56 -6.847 11.058 -6.395 1.00 0.00 C ATOM 804 O SER A 56 -7.594 10.448 -7.161 1.00 0.00 O ATOM 805 CB SER A 56 -8.374 12.482 -5.031 1.00 0.00 C ATOM 806 OG SER A 56 -7.790 13.713 -5.435 1.00 0.00 O ATOM 0 H SER A 56 -6.260 12.792 -3.788 1.00 0.00 H new ATOM 0 HA SER A 56 -7.700 10.508 -4.506 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.159 12.192 -5.730 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.843 12.592 -4.053 1.00 0.00 H new ATOM 0 HG SER A 56 -8.481 14.406 -5.472 1.00 0.00 H new ATOM 812 N THR A 57 -5.633 11.461 -6.744 1.00 0.00 N ATOM 813 CA THR A 57 -5.110 11.193 -8.077 1.00 0.00 C ATOM 814 C THR A 57 -4.367 9.861 -8.106 1.00 0.00 C ATOM 815 O THR A 57 -4.014 9.361 -9.174 1.00 0.00 O ATOM 816 CB THR A 57 -4.156 12.316 -8.489 1.00 0.00 C ATOM 817 OG1 THR A 57 -2.967 12.227 -7.717 1.00 0.00 O ATOM 818 CG2 THR A 57 -4.826 13.668 -8.243 1.00 0.00 C ATOM 0 H THR A 57 -4.997 11.970 -6.130 1.00 0.00 H new ATOM 0 HA THR A 57 -5.946 11.143 -8.774 1.00 0.00 H new ATOM 0 HB THR A 57 -3.912 12.221 -9.547 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.352 12.944 -7.979 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.147 14.469 -8.536 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.741 13.733 -8.832 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.068 13.767 -7.185 1.00 0.00 H new ATOM 826 N ALA A 58 -4.134 9.289 -6.929 1.00 0.00 N ATOM 827 CA ALA A 58 -3.433 8.014 -6.841 1.00 0.00 C ATOM 828 C ALA A 58 -4.394 6.852 -7.062 1.00 0.00 C ATOM 829 O ALA A 58 -5.488 6.820 -6.499 1.00 0.00 O ATOM 830 CB ALA A 58 -2.761 7.868 -5.474 1.00 0.00 C ATOM 0 H ALA A 58 -4.417 9.683 -6.032 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.671 7.995 -7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.242 6.911 -5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.045 8.677 -5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.517 7.912 -4.690 1.00 0.00 H new ATOM 836 N THR A 59 -3.972 5.894 -7.878 1.00 0.00 N ATOM 837 CA THR A 59 -4.798 4.727 -8.157 1.00 0.00 C ATOM 838 C THR A 59 -4.021 3.446 -7.890 1.00 0.00 C ATOM 839 O THR A 59 -4.494 2.350 -8.192 1.00 0.00 O ATOM 840 CB THR A 59 -5.267 4.746 -9.611 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.157 4.999 -10.461 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.323 5.837 -9.793 1.00 0.00 C ATOM 0 H THR A 59 -3.070 5.902 -8.355 1.00 0.00 H new ATOM 0 HA THR A 59 -5.666 4.759 -7.498 1.00 0.00 H new ATOM 0 HB THR A 59 -5.704 3.781 -9.868 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.456 5.010 -11.394 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.657 5.850 -10.830 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.172 5.634 -9.141 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.893 6.806 -9.538 1.00 0.00 H new ATOM 850 N SER A 60 -2.829 3.588 -7.320 1.00 0.00 N ATOM 851 CA SER A 60 -2.000 2.431 -7.011 1.00 0.00 C ATOM 852 C SER A 60 -0.875 2.827 -6.066 1.00 0.00 C ATOM 853 O SER A 60 -0.377 3.952 -6.118 1.00 0.00 O ATOM 854 CB SER A 60 -1.420 1.842 -8.299 1.00 0.00 C ATOM 855 OG SER A 60 -0.469 2.747 -8.843 1.00 0.00 O ATOM 0 H SER A 60 -2.419 4.486 -7.065 1.00 0.00 H new ATOM 0 HA SER A 60 -2.618 1.677 -6.524 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.948 0.881 -8.093 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.217 1.658 -9.019 1.00 0.00 H new ATOM 0 HG SER A 60 -0.094 2.372 -9.667 1.00 0.00 H new ATOM 861 N VAL A 61 -0.482 1.905 -5.195 1.00 0.00 N ATOM 862 CA VAL A 61 0.582 2.191 -4.240 1.00 0.00 C ATOM 863 C VAL A 61 1.375 0.939 -3.903 1.00 0.00 C ATOM 864 O VAL A 61 0.844 -0.172 -3.917 1.00 0.00 O ATOM 865 CB VAL A 61 -0.008 2.759 -2.953 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.658 1.630 -2.148 1.00 0.00 C ATOM 867 CG2 VAL A 61 1.106 3.403 -2.124 1.00 0.00 C ATOM 0 H VAL A 61 -0.877 0.967 -5.130 1.00 0.00 H new ATOM 0 HA VAL A 61 1.250 2.918 -4.701 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.760 3.510 -3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.080 2.035 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.450 1.171 -2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.093 0.879 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.686 3.809 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.858 2.653 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.568 4.206 -2.698 1.00 0.00 H new ATOM 877 N ASN A 62 2.647 1.133 -3.580 1.00 0.00 N ATOM 878 CA ASN A 62 3.507 0.021 -3.214 1.00 0.00 C ATOM 879 C ASN A 62 3.666 -0.036 -1.699 1.00 0.00 C ATOM 880 O ASN A 62 3.959 0.976 -1.064 1.00 0.00 O ATOM 881 CB ASN A 62 4.882 0.174 -3.863 1.00 0.00 C ATOM 882 CG ASN A 62 5.825 -0.902 -3.334 1.00 0.00 C ATOM 883 OD1 ASN A 62 6.941 -0.596 -2.909 1.00 0.00 O ATOM 884 ND2 ASN A 62 5.440 -2.148 -3.325 1.00 0.00 N ATOM 0 H ASN A 62 3.102 2.046 -3.565 1.00 0.00 H new ATOM 0 HA ASN A 62 3.048 -0.902 -3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.794 0.093 -4.946 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.287 1.163 -3.649 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.063 -2.872 -2.966 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.516 -2.399 -3.677 1.00 0.00 H new ATOM 891 N ILE A 63 3.461 -1.219 -1.129 1.00 0.00 N ATOM 892 CA ILE A 63 3.584 -1.398 0.313 1.00 0.00 C ATOM 893 C ILE A 63 4.851 -2.175 0.649 1.00 0.00 C ATOM 894 O ILE A 63 4.866 -3.405 0.593 1.00 0.00 O ATOM 895 CB ILE A 63 2.374 -2.154 0.854 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.098 -1.612 0.200 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.304 -1.968 2.370 1.00 0.00 C ATOM 898 CD1 ILE A 63 -0.113 -1.954 1.069 1.00 0.00 C ATOM 0 H ILE A 63 3.210 -2.065 -1.641 1.00 0.00 H new ATOM 0 HA ILE A 63 3.635 -0.412 0.775 1.00 0.00 H new ATOM 0 HB ILE A 63 2.467 -3.215 0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.173 -0.532 0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.977 -2.042 -0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.441 -2.506 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.214 -2.358 2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.207 -0.907 2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.018 -1.567 0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.192 -3.036 1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.007 -1.503 2.054 1.00 0.00 H new ATOM 910 N PRO A 64 5.907 -1.489 0.992 1.00 0.00 N ATOM 911 CA PRO A 64 7.196 -2.127 1.337 1.00 0.00 C ATOM 912 C PRO A 64 7.286 -2.503 2.813 1.00 0.00 C ATOM 913 O PRO A 64 6.308 -2.418 3.556 1.00 0.00 O ATOM 914 CB PRO A 64 8.210 -1.044 0.991 1.00 0.00 C ATOM 915 CG PRO A 64 7.500 0.247 1.243 1.00 0.00 C ATOM 916 CD PRO A 64 5.998 -0.025 1.089 1.00 0.00 C ATOM 0 HA PRO A 64 7.350 -3.066 0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.104 -1.129 1.608 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.531 -1.121 -0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.723 0.620 2.243 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.827 1.010 0.537 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.435 0.354 1.942 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.594 0.459 0.200 1.00 0.00 H new ATOM 924 N ASP A 65 8.477 -2.915 3.216 1.00 0.00 N ATOM 925 CA ASP A 65 8.733 -3.307 4.595 1.00 0.00 C ATOM 926 C ASP A 65 7.818 -4.448 5.023 1.00 0.00 C ATOM 927 O ASP A 65 7.401 -4.520 6.179 1.00 0.00 O ATOM 928 CB ASP A 65 8.534 -2.108 5.524 1.00 0.00 C ATOM 929 CG ASP A 65 9.602 -1.056 5.245 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.538 -1.369 4.525 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.473 0.043 5.756 1.00 0.00 O ATOM 0 H ASP A 65 9.289 -2.987 2.603 1.00 0.00 H new ATOM 0 HA ASP A 65 9.764 -3.653 4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.542 -1.681 5.375 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.590 -2.429 6.564 1.00 0.00 H new ATOM 936 N LEU A 66 7.528 -5.350 4.093 1.00 0.00 N ATOM 937 CA LEU A 66 6.683 -6.498 4.399 1.00 0.00 C ATOM 938 C LEU A 66 7.547 -7.665 4.866 1.00 0.00 C ATOM 939 O LEU A 66 8.643 -7.877 4.347 1.00 0.00 O ATOM 940 CB LEU A 66 5.874 -6.907 3.165 1.00 0.00 C ATOM 941 CG LEU A 66 5.014 -5.728 2.697 1.00 0.00 C ATOM 942 CD1 LEU A 66 4.082 -6.185 1.572 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.174 -5.218 3.871 1.00 0.00 C ATOM 0 H LEU A 66 7.862 -5.310 3.130 1.00 0.00 H new ATOM 0 HA LEU A 66 5.990 -6.224 5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.545 -7.220 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.240 -7.761 3.401 1.00 0.00 H new ATOM 0 HG LEU A 66 5.661 -4.931 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.472 -5.345 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.675 -6.554 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.434 -6.982 1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.561 -4.379 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.529 -6.019 4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.833 -4.892 4.676 1.00 0.00 H new ATOM 955 N LEU A 67 7.057 -8.419 5.846 1.00 0.00 N ATOM 956 CA LEU A 67 7.806 -9.556 6.363 1.00 0.00 C ATOM 957 C LEU A 67 7.591 -10.783 5.471 1.00 0.00 C ATOM 958 O LEU A 67 6.483 -11.314 5.399 1.00 0.00 O ATOM 959 CB LEU A 67 7.337 -9.873 7.788 1.00 0.00 C ATOM 960 CG LEU A 67 7.873 -8.817 8.758 1.00 0.00 C ATOM 961 CD1 LEU A 67 7.016 -8.804 10.025 1.00 0.00 C ATOM 962 CD2 LEU A 67 9.317 -9.155 9.135 1.00 0.00 C ATOM 0 H LEU A 67 6.153 -8.264 6.293 1.00 0.00 H new ATOM 0 HA LEU A 67 8.867 -9.305 6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.248 -9.895 7.826 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.686 -10.862 8.084 1.00 0.00 H new ATOM 0 HG LEU A 67 7.837 -7.838 8.280 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.398 -8.052 10.715 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.985 -8.566 9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.054 -9.784 10.500 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.698 -8.403 9.826 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.349 -10.135 9.612 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.934 -9.169 8.237 1.00 0.00 H new ATOM 974 N PRO A 68 8.615 -11.239 4.790 1.00 0.00 N ATOM 975 CA PRO A 68 8.508 -12.424 3.891 1.00 0.00 C ATOM 976 C PRO A 68 7.946 -13.646 4.612 1.00 0.00 C ATOM 977 O PRO A 68 8.270 -13.900 5.771 1.00 0.00 O ATOM 978 CB PRO A 68 9.943 -12.693 3.429 1.00 0.00 C ATOM 979 CG PRO A 68 10.734 -11.464 3.741 1.00 0.00 C ATOM 980 CD PRO A 68 9.973 -10.677 4.806 1.00 0.00 C ATOM 0 HA PRO A 68 7.824 -12.230 3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.358 -13.561 3.942 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.971 -12.910 2.361 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.728 -11.730 4.100 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.871 -10.860 2.844 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.436 -10.789 5.787 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.963 -9.611 4.578 1.00 0.00 H new ATOM 988 N GLY A 69 7.108 -14.405 3.911 1.00 0.00 N ATOM 989 CA GLY A 69 6.513 -15.605 4.488 1.00 0.00 C ATOM 990 C GLY A 69 5.341 -15.255 5.399 1.00 0.00 C ATOM 991 O GLY A 69 4.945 -16.053 6.248 1.00 0.00 O ATOM 0 H GLY A 69 6.828 -14.212 2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.173 -16.265 3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.267 -16.152 5.054 1.00 0.00 H new ATOM 995 N ARG A 70 4.790 -14.060 5.216 1.00 0.00 N ATOM 996 CA ARG A 70 3.663 -13.620 6.032 1.00 0.00 C ATOM 997 C ARG A 70 2.472 -13.254 5.154 1.00 0.00 C ATOM 998 O ARG A 70 2.637 -12.753 4.043 1.00 0.00 O ATOM 999 CB ARG A 70 4.073 -12.409 6.871 1.00 0.00 C ATOM 1000 CG ARG A 70 5.135 -12.824 7.889 1.00 0.00 C ATOM 1001 CD ARG A 70 4.449 -13.350 9.145 1.00 0.00 C ATOM 1002 NE ARG A 70 4.312 -12.277 10.122 1.00 0.00 N ATOM 1003 CZ ARG A 70 5.331 -11.913 10.896 1.00 0.00 C ATOM 1004 NH1 ARG A 70 6.476 -12.538 10.814 1.00 0.00 N ATOM 1005 NH2 ARG A 70 5.187 -10.929 11.738 1.00 0.00 N ATOM 0 H ARG A 70 5.101 -13.385 4.518 1.00 0.00 H new ATOM 0 HA ARG A 70 3.373 -14.439 6.690 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.462 -11.622 6.225 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.203 -11.999 7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.782 -13.592 7.465 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.770 -11.974 8.136 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.467 -13.751 8.893 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.029 -14.169 9.570 1.00 0.00 H new ATOM 0 HE ARG A 70 3.417 -11.796 10.214 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.591 -13.308 10.155 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.255 -12.256 11.409 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.294 -10.440 11.803 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.967 -10.648 12.332 1.00 0.00 H new ATOM 1019 N LYS A 71 1.270 -13.497 5.669 1.00 0.00 N ATOM 1020 CA LYS A 71 0.058 -13.175 4.933 1.00 0.00 C ATOM 1021 C LYS A 71 -0.520 -11.863 5.446 1.00 0.00 C ATOM 1022 O LYS A 71 -0.658 -11.667 6.653 1.00 0.00 O ATOM 1023 CB LYS A 71 -0.972 -14.293 5.096 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.125 -14.066 4.116 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.208 -15.123 4.346 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.199 -15.101 3.182 1.00 0.00 C ATOM 1027 NZ LYS A 71 -5.269 -16.110 3.422 1.00 0.00 N ATOM 0 H LYS A 71 1.113 -13.913 6.587 1.00 0.00 H new ATOM 0 HA LYS A 71 0.303 -13.074 3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.507 -15.261 4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.347 -14.311 6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.541 -13.068 4.253 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.760 -14.121 3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.755 -16.110 4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.728 -14.928 5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.637 -14.108 3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.683 -15.318 2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.944 -16.096 2.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.844 -17.056 3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.768 -15.884 4.306 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.852 -10.966 4.530 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.408 -9.675 4.919 1.00 0.00 C ATOM 1043 C TYR A 72 -2.789 -9.452 4.312 1.00 0.00 C ATOM 1044 O TYR A 72 -3.107 -9.971 3.241 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.504 -8.539 4.438 1.00 0.00 C ATOM 1046 CG TYR A 72 0.872 -8.642 5.049 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.824 -9.511 4.501 1.00 0.00 C ATOM 1048 CD2 TYR A 72 1.202 -7.848 6.152 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.105 -9.586 5.062 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.482 -7.918 6.709 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.432 -8.788 6.166 1.00 0.00 C ATOM 1052 OH TYR A 72 4.695 -8.853 6.715 1.00 0.00 O ATOM 0 H TYR A 72 -0.749 -11.103 3.525 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.482 -9.679 6.006 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.426 -8.568 3.351 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.950 -7.580 4.700 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.571 -10.122 3.647 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.466 -7.179 6.574 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.840 -10.258 4.644 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.737 -7.301 7.558 1.00 0.00 H new ATOM 0 HH TYR A 72 4.755 -8.234 7.473 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.583 -8.628 4.987 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.907 -8.271 4.501 1.00 0.00 C ATOM 1064 C ILE A 73 -4.853 -6.829 4.039 1.00 0.00 C ATOM 1065 O ILE A 73 -4.461 -5.947 4.797 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.947 -8.421 5.608 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.912 -9.852 6.136 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.340 -8.119 5.051 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.804 -9.955 7.372 1.00 0.00 C ATOM 0 H ILE A 73 -3.330 -8.195 5.875 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.194 -8.931 3.682 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.723 -7.723 6.415 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.255 -10.544 5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.890 -10.135 6.386 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.080 -8.227 5.844 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.365 -7.099 4.668 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.568 -8.816 4.244 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.782 -10.976 7.753 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.440 -9.273 8.141 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.827 -9.689 7.106 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.221 -6.592 2.795 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.174 -5.246 2.253 1.00 0.00 C ATOM 1083 C VAL A 74 -6.572 -4.723 1.966 1.00 0.00 C ATOM 1084 O VAL A 74 -7.388 -5.395 1.338 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.351 -5.244 0.966 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.191 -3.808 0.464 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.969 -5.846 1.243 1.00 0.00 C ATOM 0 H VAL A 74 -5.553 -7.305 2.145 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.710 -4.593 2.992 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.861 -5.838 0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.604 -3.807 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.174 -3.380 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.681 -3.212 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.381 -5.845 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.459 -5.252 2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.083 -6.870 1.600 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.832 -3.508 2.428 1.00 0.00 N ATOM 1098 CA ASN A 75 -8.122 -2.878 2.219 1.00 0.00 C ATOM 1099 C ASN A 75 -7.919 -1.439 1.771 1.00 0.00 C ATOM 1100 O ASN A 75 -7.216 -0.670 2.427 1.00 0.00 O ATOM 1101 CB ASN A 75 -8.930 -2.912 3.515 1.00 0.00 C ATOM 1102 CG ASN A 75 -8.980 -4.337 4.050 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.798 -5.141 3.604 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -8.144 -4.699 4.981 1.00 0.00 N ATOM 0 H ASN A 75 -6.164 -2.941 2.950 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.668 -3.420 1.447 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.478 -2.251 4.254 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.940 -2.545 3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.166 -5.652 5.343 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.468 -4.029 5.348 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.525 -1.080 0.648 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.384 0.272 0.128 1.00 0.00 C ATOM 1113 C VAL A 76 -9.661 1.071 0.340 1.00 0.00 C ATOM 1114 O VAL A 76 -10.754 0.616 0.005 1.00 0.00 O ATOM 1115 CB VAL A 76 -8.059 0.229 -1.366 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.784 1.649 -1.868 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.822 -0.643 -1.595 1.00 0.00 C ATOM 0 H VAL A 76 -9.111 -1.697 0.086 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.571 0.757 0.667 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.904 -0.192 -1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.552 1.620 -2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.665 2.269 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.938 2.070 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.590 -0.674 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.975 -0.224 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.018 -1.654 -1.237 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.512 2.270 0.885 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.658 3.133 1.120 1.00 0.00 C ATOM 1129 C TYR A 77 -10.456 4.467 0.423 1.00 0.00 C ATOM 1130 O TYR A 77 -9.379 5.053 0.499 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.837 3.395 2.617 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.901 2.087 3.364 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -12.133 1.454 3.561 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.730 1.515 3.872 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -12.193 0.244 4.261 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.789 0.304 4.572 1.00 0.00 C ATOM 1137 CZ TYR A 77 -11.021 -0.331 4.768 1.00 0.00 C ATOM 1138 OH TYR A 77 -11.081 -1.524 5.458 1.00 0.00 O ATOM 0 H TYR A 77 -8.616 2.664 1.170 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.542 2.632 0.727 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.009 3.997 2.991 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.749 3.966 2.788 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -13.037 1.899 3.173 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.780 2.008 3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -13.143 -0.247 4.410 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.884 -0.140 4.961 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.179 -1.784 5.740 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.494 4.964 -0.225 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.390 6.255 -0.884 1.00 0.00 C ATOM 1150 C GLN A 78 -12.051 7.294 0.007 1.00 0.00 C ATOM 1151 O GLN A 78 -13.129 7.058 0.552 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.067 6.226 -2.256 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.555 6.536 -2.106 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.304 6.092 -3.357 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -13.632 5.769 -4.429 1.00 0.00 O flip ATOM 1156 NE2 GLN A 78 -15.533 6.037 -3.358 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.401 4.506 -0.309 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.340 6.503 -1.042 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.599 6.955 -2.918 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -11.935 5.247 -2.716 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -13.956 6.025 -1.231 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.699 7.604 -1.945 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.056 6.290 -2.519 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.029 5.739 -4.198 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.395 8.428 0.183 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.931 9.466 1.045 1.00 0.00 C ATOM 1167 C ILE A 79 -12.660 10.521 0.235 1.00 0.00 C ATOM 1168 O ILE A 79 -12.101 11.126 -0.679 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.793 10.112 1.830 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -10.035 9.021 2.582 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.366 11.121 2.824 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.851 9.632 3.332 1.00 0.00 C ATOM 0 H ILE A 79 -10.501 8.652 -0.254 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.643 9.012 1.734 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.117 10.629 1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.702 8.520 3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.682 8.263 1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.553 11.582 3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.917 11.891 2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -12.038 10.611 3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.315 8.848 3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.178 10.112 2.621 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.215 10.373 4.044 1.00 0.00 H new ATOM 1184 N SER A 80 -13.919 10.729 0.584 1.00 0.00 N ATOM 1185 CA SER A 80 -14.740 11.704 -0.103 1.00 0.00 C ATOM 1186 C SER A 80 -14.497 13.098 0.460 1.00 0.00 C ATOM 1187 O SER A 80 -13.821 13.263 1.475 1.00 0.00 O ATOM 1188 CB SER A 80 -16.209 11.333 0.050 1.00 0.00 C ATOM 1189 OG SER A 80 -16.635 11.651 1.366 1.00 0.00 O ATOM 0 H SER A 80 -14.392 10.234 1.340 1.00 0.00 H new ATOM 0 HA SER A 80 -14.474 11.706 -1.160 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.811 11.873 -0.681 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.350 10.270 -0.144 1.00 0.00 H new ATOM 0 HG SER A 80 -17.582 11.419 1.468 1.00 0.00 H new ATOM 1195 N GLU A 81 -15.052 14.094 -0.212 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.894 15.476 0.212 1.00 0.00 C ATOM 1197 C GLU A 81 -15.497 15.692 1.598 1.00 0.00 C ATOM 1198 O GLU A 81 -15.149 16.647 2.291 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.578 16.401 -0.792 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.880 16.284 -2.149 1.00 0.00 C ATOM 1201 CD GLU A 81 -15.528 17.231 -3.153 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -16.565 17.784 -2.829 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -14.977 17.388 -4.230 1.00 0.00 O ATOM 0 H GLU A 81 -15.616 13.971 -1.053 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.829 15.703 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.631 16.136 -0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.540 17.431 -0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -13.821 16.521 -2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.942 15.258 -2.512 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.409 14.807 1.991 1.00 0.00 N ATOM 1211 CA ASP A 82 -17.055 14.925 3.293 1.00 0.00 C ATOM 1212 C ASP A 82 -16.296 14.146 4.367 1.00 0.00 C ATOM 1213 O ASP A 82 -16.675 14.161 5.538 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.501 14.427 3.201 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.575 13.193 2.309 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -18.260 12.118 2.787 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -18.945 13.343 1.156 1.00 0.00 O ATOM 0 H ASP A 82 -16.714 14.009 1.433 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.050 15.976 3.580 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.876 14.189 4.196 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -19.140 15.214 2.800 1.00 0.00 H new ATOM 1222 N GLY A 83 -15.210 13.486 3.972 1.00 0.00 N ATOM 1223 CA GLY A 83 -14.401 12.732 4.928 1.00 0.00 C ATOM 1224 C GLY A 83 -14.902 11.302 5.111 1.00 0.00 C ATOM 1225 O GLY A 83 -14.449 10.595 6.010 1.00 0.00 O ATOM 0 H GLY A 83 -14.872 13.457 3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.366 12.711 4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.410 13.243 5.891 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.828 10.875 4.263 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.358 9.520 4.361 1.00 0.00 C ATOM 1231 C GLU A 84 -15.459 8.532 3.623 1.00 0.00 C ATOM 1232 O GLU A 84 -14.944 8.830 2.545 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.774 9.462 3.786 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.725 10.265 4.677 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.811 9.630 6.059 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.450 8.470 6.181 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -19.237 10.312 6.975 1.00 0.00 O ATOM 0 H GLU A 84 -16.224 11.437 3.509 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.388 9.243 5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.782 9.864 2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -18.108 8.427 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.374 11.293 4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.715 10.303 4.224 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.284 7.353 4.208 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.456 6.320 3.597 1.00 0.00 C ATOM 1246 C GLN A 85 -15.326 5.210 3.019 1.00 0.00 C ATOM 1247 O GLN A 85 -16.353 4.847 3.594 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.501 5.724 4.635 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.346 6.690 4.895 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.478 6.163 6.035 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -10.196 6.405 6.035 1.00 0.00 O flip ATOM 1252 NE2 GLN A 85 -11.982 5.505 6.946 1.00 0.00 N flip ATOM 0 H GLN A 85 -15.702 7.089 5.100 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.879 6.778 2.793 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -14.037 5.526 5.563 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.115 4.769 4.280 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.746 6.805 3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.735 7.676 5.148 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.984 5.317 6.945 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.397 5.149 7.702 1.00 0.00 H new ATOM 1261 N SER A 86 -14.905 4.670 1.882 1.00 0.00 N ATOM 1262 CA SER A 86 -15.648 3.597 1.238 1.00 0.00 C ATOM 1263 C SER A 86 -14.695 2.515 0.750 1.00 0.00 C ATOM 1264 O SER A 86 -13.686 2.810 0.108 1.00 0.00 O ATOM 1265 CB SER A 86 -16.446 4.145 0.058 1.00 0.00 C ATOM 1266 OG SER A 86 -17.230 3.099 -0.503 1.00 0.00 O ATOM 0 H SER A 86 -14.058 4.956 1.390 1.00 0.00 H new ATOM 0 HA SER A 86 -16.335 3.166 1.967 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.089 4.962 0.386 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.771 4.553 -0.694 1.00 0.00 H new ATOM 0 HG SER A 86 -17.746 3.447 -1.260 1.00 0.00 H new ATOM 1272 N LEU A 87 -15.017 1.265 1.053 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.175 0.158 0.631 1.00 0.00 C ATOM 1274 C LEU A 87 -14.317 -0.074 -0.866 1.00 0.00 C ATOM 1275 O LEU A 87 -15.404 -0.381 -1.356 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.566 -1.115 1.381 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.618 -2.253 0.995 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.257 -2.040 1.663 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.211 -3.588 1.458 1.00 0.00 C ATOM 0 H LEU A 87 -15.846 0.995 1.583 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.138 0.408 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.524 -0.943 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.594 -1.388 1.142 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.490 -2.265 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.585 -2.852 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.835 -1.091 1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.381 -2.025 2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.537 -4.400 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.340 -3.573 2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.178 -3.742 0.980 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.217 0.076 -1.588 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.237 -0.123 -3.028 1.00 0.00 C ATOM 1293 C ILE A 88 -12.489 -1.395 -3.398 1.00 0.00 C ATOM 1294 O ILE A 88 -12.726 -1.979 -4.456 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.603 1.080 -3.729 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.122 1.167 -3.353 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.314 2.361 -3.292 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.457 2.272 -4.172 1.00 0.00 C ATOM 0 H ILE A 88 -12.307 0.332 -1.204 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.273 -0.221 -3.353 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.699 0.962 -4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.017 1.375 -2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.630 0.213 -3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.861 3.217 -3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.369 2.301 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.219 2.480 -2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.402 2.337 -3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.551 2.044 -5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.943 3.224 -3.961 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.589 -1.828 -2.520 1.00 0.00 N ATOM 1311 CA LEU A 89 -10.824 -3.041 -2.781 1.00 0.00 C ATOM 1312 C LEU A 89 -10.344 -3.688 -1.485 1.00 0.00 C ATOM 1313 O LEU A 89 -9.614 -3.079 -0.703 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.616 -2.730 -3.664 1.00 0.00 C ATOM 1315 CG LEU A 89 -8.912 -4.040 -4.030 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -9.743 -4.793 -5.072 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.529 -3.736 -4.609 1.00 0.00 C ATOM 0 H LEU A 89 -11.374 -1.366 -1.636 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.486 -3.738 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.934 -2.209 -4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.928 -2.067 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.805 -4.653 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.242 -5.725 -5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.728 -5.013 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.851 -4.177 -5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.030 -4.670 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.636 -3.121 -5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.934 -3.200 -3.869 1.00 0.00 H new ATOM 1329 N SER A 90 -10.740 -4.940 -1.284 1.00 0.00 N ATOM 1330 CA SER A 90 -10.334 -5.690 -0.105 1.00 0.00 C ATOM 1331 C SER A 90 -9.838 -7.065 -0.536 1.00 0.00 C ATOM 1332 O SER A 90 -10.611 -7.878 -1.042 1.00 0.00 O ATOM 1333 CB SER A 90 -11.512 -5.839 0.858 1.00 0.00 C ATOM 1334 OG SER A 90 -11.120 -6.644 1.962 1.00 0.00 O ATOM 0 H SER A 90 -11.343 -5.456 -1.925 1.00 0.00 H new ATOM 0 HA SER A 90 -9.534 -5.155 0.407 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.838 -4.859 1.206 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.360 -6.293 0.345 1.00 0.00 H new ATOM 0 HG SER A 90 -10.574 -6.112 2.578 1.00 0.00 H new ATOM 1340 N THR A 91 -8.546 -7.314 -0.353 1.00 0.00 N ATOM 1341 CA THR A 91 -7.968 -8.591 -0.751 1.00 0.00 C ATOM 1342 C THR A 91 -6.781 -8.936 0.135 1.00 0.00 C ATOM 1343 O THR A 91 -6.226 -8.070 0.802 1.00 0.00 O ATOM 1344 CB THR A 91 -7.511 -8.523 -2.210 1.00 0.00 C ATOM 1345 OG1 THR A 91 -7.377 -9.842 -2.725 1.00 0.00 O ATOM 1346 CG2 THR A 91 -6.162 -7.806 -2.290 1.00 0.00 C ATOM 0 H THR A 91 -7.886 -6.657 0.063 1.00 0.00 H new ATOM 0 HA THR A 91 -8.728 -9.364 -0.642 1.00 0.00 H new ATOM 0 HB THR A 91 -8.248 -7.975 -2.797 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.086 -9.800 -3.660 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.837 -7.758 -3.329 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.263 -6.796 -1.894 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.424 -8.353 -1.704 1.00 0.00 H new ATOM 1354 N SER A 92 -6.384 -10.202 0.126 1.00 0.00 N ATOM 1355 CA SER A 92 -5.249 -10.632 0.931 1.00 0.00 C ATOM 1356 C SER A 92 -4.122 -11.130 0.034 1.00 0.00 C ATOM 1357 O SER A 92 -4.360 -11.586 -1.085 1.00 0.00 O ATOM 1358 CB SER A 92 -5.673 -11.748 1.886 1.00 0.00 C ATOM 1359 OG SER A 92 -5.997 -12.911 1.137 1.00 0.00 O ATOM 0 H SER A 92 -6.825 -10.941 -0.422 1.00 0.00 H new ATOM 0 HA SER A 92 -4.894 -9.779 1.510 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.868 -11.966 2.588 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.533 -11.430 2.476 1.00 0.00 H new ATOM 0 HG SER A 92 -6.267 -13.628 1.747 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.898 -11.051 0.537 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.743 -11.506 -0.225 1.00 0.00 C ATOM 1367 C GLN A 93 -0.799 -12.302 0.662 1.00 0.00 C ATOM 1368 O GLN A 93 -0.769 -12.121 1.878 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.971 -10.319 -0.809 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.846 -9.542 -1.791 1.00 0.00 C ATOM 1371 CD GLN A 93 -0.993 -8.507 -2.521 1.00 0.00 C ATOM 1372 OE1 GLN A 93 0.289 -8.438 -2.272 1.00 0.00 O flip ATOM 1373 NE2 GLN A 93 -1.506 -7.747 -3.341 1.00 0.00 N flip ATOM 0 H GLN A 93 -2.680 -10.679 1.461 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.113 -12.135 -1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.643 -9.660 -0.005 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.074 -10.675 -1.315 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.302 -10.225 -2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.660 -9.049 -1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.506 -7.804 -3.533 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.931 -7.060 -3.829 1.00 0.00 H new ATOM 1382 N THR A 94 -0.011 -13.164 0.037 1.00 0.00 N ATOM 1383 CA THR A 94 0.956 -13.962 0.769 1.00 0.00 C ATOM 1384 C THR A 94 2.348 -13.687 0.219 1.00 0.00 C ATOM 1385 O THR A 94 2.671 -14.073 -0.906 1.00 0.00 O ATOM 1386 CB THR A 94 0.622 -15.448 0.640 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.785 -15.602 0.515 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.108 -16.193 1.885 1.00 0.00 C ATOM 0 H THR A 94 -0.023 -13.327 -0.970 1.00 0.00 H new ATOM 0 HA THR A 94 0.923 -13.693 1.825 1.00 0.00 H new ATOM 0 HB THR A 94 1.116 -15.858 -0.241 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.004 -16.554 0.430 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.869 -17.252 1.792 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.187 -16.072 1.984 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.615 -15.786 2.768 1.00 0.00 H new ATOM 1396 N THR A 95 3.162 -13.004 1.012 1.00 0.00 N ATOM 1397 CA THR A 95 4.513 -12.664 0.591 1.00 0.00 C ATOM 1398 C THR A 95 5.248 -13.907 0.099 1.00 0.00 C ATOM 1399 O THR A 95 4.776 -14.998 0.375 1.00 0.00 O ATOM 1400 CB THR A 95 5.277 -12.036 1.757 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.095 -12.832 2.919 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.747 -10.622 2.019 1.00 0.00 C ATOM 1403 OXT THR A 95 6.272 -13.750 -0.545 1.00 0.00 O ATOM 0 H THR A 95 2.912 -12.676 1.945 1.00 0.00 H new ATOM 0 HA THR A 95 4.453 -11.948 -0.228 1.00 0.00 H new ATOM 0 HB THR A 95 6.337 -11.983 1.510 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.229 -12.623 3.326 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.293 -10.177 2.851 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.884 -10.011 1.127 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.687 -10.671 2.266 1.00 0.00 H new