USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=25 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= -3.2! C(o=-2.8!,f=-11!) USER MOD Set 1.2: A 90 SER OG : rot 106:sc= 0.444! USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0.409 USER MOD Set 2.2: A 62 ASN : amide:sc= -1.74 X(o=-1.3,f=-1.4!) USER MOD Set 3.1: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 50 GLN :FLIP amide:sc= -3.85! C(o=-5!,f=-3.8!) USER MOD Single : A 20 SER OG : rot -42:sc= -2.18! 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 -156:sc= -0.466 USER MOD Single : A 43 SER OG : rot 108:sc= -2.58 USER MOD Single : A 51 TYR OH : rot 46:sc= 0.104 USER MOD Single : A 56 SER OG : rot 170: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= -0.706 USER MOD Single : A 77 TYR OH : rot 30:sc=-0.00124 USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 80 SER OG : rot -21:sc= -4.27! USER MOD Single : A 85 GLN :FLIP amide:sc= -6.14! C(o=-8.3!,f=-6.1!) 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 -170:sc= -0.0113 USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -51:sc= -0.0562 USER MOD ----------------------------------------------------------------- ATOM 263 N SER A 20 9.588 -7.935 0.337 1.00 0.00 N ATOM 264 CA SER A 20 8.273 -8.429 -0.054 1.00 0.00 C ATOM 265 C SER A 20 7.293 -7.278 -0.255 1.00 0.00 C ATOM 266 O SER A 20 6.145 -7.350 0.182 1.00 0.00 O ATOM 267 CB SER A 20 7.732 -9.389 1.008 1.00 0.00 C ATOM 268 OG SER A 20 7.843 -8.786 2.290 1.00 0.00 O ATOM 0 HA SER A 20 8.380 -8.960 -1.000 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.691 -9.632 0.797 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.289 -10.326 0.985 1.00 0.00 H new ATOM 0 HG SER A 20 8.712 -8.339 2.367 1.00 0.00 H new ATOM 274 N SER A 21 7.747 -6.220 -0.921 1.00 0.00 N ATOM 275 CA SER A 21 6.885 -5.070 -1.167 1.00 0.00 C ATOM 276 C SER A 21 5.685 -5.481 -2.010 1.00 0.00 C ATOM 277 O SER A 21 5.830 -6.142 -3.038 1.00 0.00 O ATOM 278 CB SER A 21 7.658 -3.977 -1.900 1.00 0.00 C ATOM 279 OG SER A 21 7.410 -4.090 -3.293 1.00 0.00 O ATOM 0 H SER A 21 8.692 -6.135 -1.295 1.00 0.00 H new ATOM 0 HA SER A 21 6.541 -4.689 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.352 -2.994 -1.542 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.725 -4.071 -1.699 1.00 0.00 H new ATOM 0 HG SER A 21 7.902 -3.390 -3.771 1.00 0.00 H new ATOM 285 N PHE A 22 4.503 -5.078 -1.569 1.00 0.00 N ATOM 286 CA PHE A 22 3.274 -5.397 -2.283 1.00 0.00 C ATOM 287 C PHE A 22 2.881 -4.261 -3.211 1.00 0.00 C ATOM 288 O PHE A 22 3.086 -3.097 -2.896 1.00 0.00 O ATOM 289 CB PHE A 22 2.132 -5.619 -1.292 1.00 0.00 C ATOM 290 CG PHE A 22 2.196 -6.995 -0.679 1.00 0.00 C ATOM 291 CD1 PHE A 22 3.351 -7.783 -0.781 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.070 -7.487 -0.015 1.00 0.00 C ATOM 293 CE1 PHE A 22 3.371 -9.064 -0.217 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.091 -8.762 0.552 1.00 0.00 C ATOM 295 CZ PHE A 22 2.240 -9.552 0.451 1.00 0.00 C ATOM 0 H PHE A 22 4.368 -4.529 -0.720 1.00 0.00 H new ATOM 0 HA PHE A 22 3.453 -6.302 -2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.179 -4.866 -0.505 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.177 -5.489 -1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.223 -7.403 -1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.181 -6.879 0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.257 -9.676 -0.297 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.220 -9.138 1.068 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.256 -10.539 0.888 1.00 0.00 H new ATOM 305 N VAL A 23 2.285 -4.604 -4.340 1.00 0.00 N ATOM 306 CA VAL A 23 1.840 -3.586 -5.276 1.00 0.00 C ATOM 307 C VAL A 23 0.402 -3.863 -5.699 1.00 0.00 C ATOM 308 O VAL A 23 0.141 -4.758 -6.503 1.00 0.00 O ATOM 309 CB VAL A 23 2.748 -3.552 -6.502 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.064 -2.749 -7.607 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.073 -2.884 -6.133 1.00 0.00 C ATOM 0 H VAL A 23 2.100 -5.565 -4.628 1.00 0.00 H new ATOM 0 HA VAL A 23 1.887 -2.615 -4.783 1.00 0.00 H new ATOM 0 HB VAL A 23 2.938 -4.568 -6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.707 -2.720 -8.487 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.116 -3.220 -7.866 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.881 -1.733 -7.258 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.723 -2.859 -7.007 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.885 -1.866 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.557 -3.450 -5.337 1.00 0.00 H new ATOM 321 N VAL A 24 -0.529 -3.091 -5.147 1.00 0.00 N ATOM 322 CA VAL A 24 -1.940 -3.266 -5.470 1.00 0.00 C ATOM 323 C VAL A 24 -2.493 -2.033 -6.167 1.00 0.00 C ATOM 324 O VAL A 24 -2.205 -0.902 -5.778 1.00 0.00 O ATOM 325 CB VAL A 24 -2.745 -3.530 -4.195 1.00 0.00 C ATOM 326 CG1 VAL A 24 -4.232 -3.642 -4.541 1.00 0.00 C ATOM 327 CG2 VAL A 24 -2.275 -4.840 -3.561 1.00 0.00 C ATOM 0 H VAL A 24 -0.334 -2.345 -4.480 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.028 -4.120 -6.141 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.595 -2.708 -3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.804 -3.830 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.571 -2.712 -4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.382 -4.464 -5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.847 -5.030 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.427 -5.659 -4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.216 -4.765 -3.314 1.00 0.00 H new ATOM 337 N SER A 25 -3.301 -2.262 -7.195 1.00 0.00 N ATOM 338 CA SER A 25 -3.905 -1.166 -7.933 1.00 0.00 C ATOM 339 C SER A 25 -5.416 -1.329 -7.953 1.00 0.00 C ATOM 340 O SER A 25 -5.926 -2.446 -7.871 1.00 0.00 O ATOM 341 CB SER A 25 -3.367 -1.134 -9.363 1.00 0.00 C ATOM 342 OG SER A 25 -3.889 -2.241 -10.087 1.00 0.00 O ATOM 0 H SER A 25 -3.550 -3.192 -7.533 1.00 0.00 H new ATOM 0 HA SER A 25 -3.652 -0.227 -7.441 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.650 -0.201 -9.849 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.278 -1.171 -9.355 1.00 0.00 H new ATOM 0 HG SER A 25 -3.547 -2.222 -11.005 1.00 0.00 H new ATOM 348 N TRP A 26 -6.133 -0.218 -8.063 1.00 0.00 N ATOM 349 CA TRP A 26 -7.585 -0.275 -8.090 1.00 0.00 C ATOM 350 C TRP A 26 -8.140 0.816 -8.989 1.00 0.00 C ATOM 351 O TRP A 26 -7.410 1.423 -9.771 1.00 0.00 O ATOM 352 CB TRP A 26 -8.133 -0.099 -6.673 1.00 0.00 C ATOM 353 CG TRP A 26 -7.555 1.141 -6.072 1.00 0.00 C ATOM 354 CD1 TRP A 26 -8.079 2.382 -6.191 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.354 1.278 -5.263 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.273 3.274 -5.505 1.00 0.00 N ATOM 357 CE2 TRP A 26 -6.197 2.640 -4.916 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.394 0.361 -4.802 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -5.125 3.078 -4.137 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.314 0.797 -4.017 1.00 0.00 C ATOM 361 CH2 TRP A 26 -4.181 2.152 -3.685 1.00 0.00 C ATOM 0 H TRP A 26 -5.738 0.720 -8.134 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.891 -1.245 -8.482 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.221 -0.033 -6.697 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.880 -0.966 -6.062 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.979 2.635 -6.732 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.452 4.276 -5.442 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.487 -0.685 -5.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -5.026 4.124 -3.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.582 0.084 -3.667 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.349 2.481 -3.080 1.00 0.00 H new ATOM 372 N VAL A 27 -9.435 1.064 -8.870 1.00 0.00 N ATOM 373 CA VAL A 27 -10.076 2.087 -9.673 1.00 0.00 C ATOM 374 C VAL A 27 -10.912 2.994 -8.782 1.00 0.00 C ATOM 375 O VAL A 27 -11.717 2.517 -7.982 1.00 0.00 O ATOM 376 CB VAL A 27 -10.967 1.435 -10.732 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.457 2.498 -11.717 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.165 0.372 -11.486 1.00 0.00 C ATOM 0 H VAL A 27 -10.058 0.573 -8.228 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.310 2.682 -10.170 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.825 0.970 -10.247 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.091 2.031 -12.470 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.028 3.256 -11.180 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.601 2.966 -12.203 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.798 -0.094 -12.241 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.307 0.839 -11.970 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.818 -0.387 -10.785 1.00 0.00 H new ATOM 388 N SER A 28 -10.721 4.297 -8.919 1.00 0.00 N ATOM 389 CA SER A 28 -11.476 5.244 -8.108 1.00 0.00 C ATOM 390 C SER A 28 -12.965 4.913 -8.178 1.00 0.00 C ATOM 391 O SER A 28 -13.423 4.292 -9.136 1.00 0.00 O ATOM 392 CB SER A 28 -11.241 6.670 -8.610 1.00 0.00 C ATOM 393 OG SER A 28 -11.924 6.855 -9.842 1.00 0.00 O ATOM 0 H SER A 28 -10.061 4.720 -9.572 1.00 0.00 H new ATOM 0 HA SER A 28 -11.139 5.171 -7.074 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.596 7.390 -7.873 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.174 6.850 -8.742 1.00 0.00 H new ATOM 0 HG SER A 28 -11.776 7.769 -10.164 1.00 0.00 H new ATOM 446 N VAL A 33 -13.461 11.936 -4.569 1.00 0.00 N ATOM 447 CA VAL A 33 -12.571 11.511 -3.505 1.00 0.00 C ATOM 448 C VAL A 33 -11.508 12.573 -3.266 1.00 0.00 C ATOM 449 O VAL A 33 -11.020 13.197 -4.208 1.00 0.00 O ATOM 450 CB VAL A 33 -11.909 10.184 -3.891 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.568 10.202 -5.381 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.624 9.986 -3.084 1.00 0.00 C ATOM 0 HA VAL A 33 -13.144 11.373 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.598 9.367 -3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.097 9.259 -5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.481 10.336 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.883 11.024 -5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.160 9.040 -3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.934 10.804 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.861 9.972 -2.020 1.00 0.00 H new ATOM 462 N SER A 34 -11.154 12.776 -2.004 1.00 0.00 N ATOM 463 CA SER A 34 -10.143 13.769 -1.659 1.00 0.00 C ATOM 464 C SER A 34 -8.781 13.101 -1.549 1.00 0.00 C ATOM 465 O SER A 34 -7.742 13.757 -1.614 1.00 0.00 O ATOM 466 CB SER A 34 -10.492 14.437 -0.329 1.00 0.00 C ATOM 467 OG SER A 34 -11.477 15.437 -0.550 1.00 0.00 O ATOM 0 H SER A 34 -11.547 12.272 -1.209 1.00 0.00 H new ATOM 0 HA SER A 34 -10.114 14.527 -2.442 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.863 13.695 0.378 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.600 14.880 0.114 1.00 0.00 H new ATOM 0 HG SER A 34 -11.433 16.103 0.167 1.00 0.00 H new ATOM 473 N GLY A 35 -8.804 11.788 -1.390 1.00 0.00 N ATOM 474 CA GLY A 35 -7.582 11.011 -1.276 1.00 0.00 C ATOM 475 C GLY A 35 -7.920 9.550 -1.025 1.00 0.00 C ATOM 476 O GLY A 35 -9.088 9.188 -0.900 1.00 0.00 O ATOM 0 H GLY A 35 -9.660 11.236 -1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.994 11.106 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.970 11.397 -0.461 1.00 0.00 H new ATOM 480 N PHE A 36 -6.898 8.716 -0.933 1.00 0.00 N ATOM 481 CA PHE A 36 -7.117 7.302 -0.676 1.00 0.00 C ATOM 482 C PHE A 36 -6.370 6.867 0.571 1.00 0.00 C ATOM 483 O PHE A 36 -5.315 7.409 0.899 1.00 0.00 O ATOM 484 CB PHE A 36 -6.648 6.458 -1.862 1.00 0.00 C ATOM 485 CG PHE A 36 -7.603 6.626 -3.017 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.708 5.773 -3.146 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.384 7.634 -3.959 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.592 5.931 -4.221 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.267 7.791 -5.031 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.371 6.941 -5.163 1.00 0.00 C ATOM 0 H PHE A 36 -5.920 8.988 -1.031 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.186 7.151 -0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.644 6.760 -2.161 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.592 5.408 -1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.878 4.994 -2.417 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.533 8.291 -3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.443 5.274 -4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.097 8.570 -5.759 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.052 7.065 -5.992 1.00 0.00 H new ATOM 500 N ARG A 37 -6.912 5.873 1.253 1.00 0.00 N ATOM 501 CA ARG A 37 -6.276 5.359 2.447 1.00 0.00 C ATOM 502 C ARG A 37 -6.163 3.853 2.339 1.00 0.00 C ATOM 503 O ARG A 37 -7.165 3.152 2.196 1.00 0.00 O ATOM 504 CB ARG A 37 -7.085 5.723 3.693 1.00 0.00 C ATOM 505 CG ARG A 37 -6.189 5.607 4.928 1.00 0.00 C ATOM 506 CD ARG A 37 -6.960 6.057 6.169 1.00 0.00 C ATOM 507 NE ARG A 37 -7.940 5.050 6.552 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.451 5.028 7.777 1.00 0.00 C ATOM 509 NH1 ARG A 37 -8.085 5.926 8.650 1.00 0.00 N ATOM 510 NH2 ARG A 37 -9.317 4.109 8.109 1.00 0.00 N ATOM 0 H ARG A 37 -7.785 5.410 1.000 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.285 5.804 2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.473 6.738 3.605 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.945 5.060 3.789 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.854 4.577 5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.297 6.220 4.801 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.267 6.230 6.992 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.461 7.004 5.970 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.238 4.352 5.870 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.408 6.643 8.391 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.476 5.911 9.592 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.602 3.406 7.427 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.709 4.094 9.051 1.00 0.00 H new ATOM 524 N VAL A 38 -4.942 3.359 2.403 1.00 0.00 N ATOM 525 CA VAL A 38 -4.726 1.927 2.305 1.00 0.00 C ATOM 526 C VAL A 38 -4.365 1.366 3.665 1.00 0.00 C ATOM 527 O VAL A 38 -3.494 1.895 4.354 1.00 0.00 O ATOM 528 CB VAL A 38 -3.610 1.631 1.303 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.578 0.130 1.004 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.871 2.408 0.011 1.00 0.00 C ATOM 0 H VAL A 38 -4.096 3.917 2.521 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.644 1.453 1.958 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.651 1.935 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.782 -0.082 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.394 -0.421 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.535 -0.178 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.077 2.199 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.829 2.103 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.893 3.476 0.227 1.00 0.00 H new ATOM 540 N GLU A 39 -5.034 0.292 4.050 1.00 0.00 N ATOM 541 CA GLU A 39 -4.761 -0.323 5.333 1.00 0.00 C ATOM 542 C GLU A 39 -4.332 -1.765 5.140 1.00 0.00 C ATOM 543 O GLU A 39 -4.968 -2.517 4.404 1.00 0.00 O ATOM 544 CB GLU A 39 -6.005 -0.286 6.216 1.00 0.00 C ATOM 545 CG GLU A 39 -5.646 -0.810 7.608 1.00 0.00 C ATOM 546 CD GLU A 39 -6.910 -0.984 8.441 1.00 0.00 C ATOM 547 OE1 GLU A 39 -7.980 -0.716 7.920 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.790 -1.381 9.587 1.00 0.00 O ATOM 0 H GLU A 39 -5.760 -0.165 3.499 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.959 0.235 5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.387 0.732 6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.796 -0.895 5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.122 -1.762 7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.967 -0.116 8.103 1.00 0.00 H new ATOM 555 N TYR A 40 -3.258 -2.151 5.809 1.00 0.00 N ATOM 556 CA TYR A 40 -2.774 -3.513 5.696 1.00 0.00 C ATOM 557 C TYR A 40 -2.290 -4.039 7.037 1.00 0.00 C ATOM 558 O TYR A 40 -1.592 -3.351 7.781 1.00 0.00 O ATOM 559 CB TYR A 40 -1.649 -3.593 4.662 1.00 0.00 C ATOM 560 CG TYR A 40 -0.484 -2.742 5.107 1.00 0.00 C ATOM 561 CD1 TYR A 40 0.501 -3.281 5.943 1.00 0.00 C ATOM 562 CD2 TYR A 40 -0.386 -1.414 4.676 1.00 0.00 C ATOM 563 CE1 TYR A 40 1.583 -2.490 6.348 1.00 0.00 C ATOM 564 CE2 TYR A 40 0.696 -0.624 5.081 1.00 0.00 C ATOM 565 CZ TYR A 40 1.680 -1.161 5.917 1.00 0.00 C ATOM 566 OH TYR A 40 2.747 -0.383 6.317 1.00 0.00 O ATOM 0 H TYR A 40 -2.713 -1.549 6.427 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.605 -4.137 5.368 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.329 -4.628 4.538 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.010 -3.253 3.691 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.426 -4.306 6.275 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.146 -0.999 4.031 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.343 -2.905 6.993 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.771 0.401 4.748 1.00 0.00 H new ATOM 0 HH TYR A 40 2.663 0.513 5.928 1.00 0.00 H new ATOM 576 N GLU A 41 -2.667 -5.277 7.324 1.00 0.00 N ATOM 577 CA GLU A 41 -2.279 -5.931 8.561 1.00 0.00 C ATOM 578 C GLU A 41 -2.083 -7.419 8.295 1.00 0.00 C ATOM 579 O GLU A 41 -2.511 -7.928 7.258 1.00 0.00 O ATOM 580 CB GLU A 41 -3.359 -5.729 9.627 1.00 0.00 C ATOM 581 CG GLU A 41 -4.539 -6.659 9.342 1.00 0.00 C ATOM 582 CD GLU A 41 -5.669 -6.378 10.327 1.00 0.00 C ATOM 583 OE1 GLU A 41 -6.087 -5.235 10.407 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.100 -7.311 10.985 1.00 0.00 O ATOM 0 H GLU A 41 -3.246 -5.851 6.710 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.348 -5.497 8.925 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.951 -5.935 10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.693 -4.691 9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.890 -6.513 8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.222 -7.699 9.425 1.00 0.00 H new ATOM 591 N LEU A 42 -1.435 -8.115 9.217 1.00 0.00 N ATOM 592 CA LEU A 42 -1.197 -9.542 9.038 1.00 0.00 C ATOM 593 C LEU A 42 -2.487 -10.332 9.213 1.00 0.00 C ATOM 594 O LEU A 42 -3.162 -10.225 10.238 1.00 0.00 O ATOM 595 CB LEU A 42 -0.148 -10.020 10.044 1.00 0.00 C ATOM 596 CG LEU A 42 1.154 -9.265 9.785 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.154 -9.549 10.903 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.742 -9.728 8.453 1.00 0.00 C ATOM 0 H LEU A 42 -1.069 -7.724 10.085 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.830 -9.709 8.025 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.492 -9.842 11.063 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.011 -11.094 9.944 1.00 0.00 H new ATOM 0 HG LEU A 42 0.950 -8.195 9.752 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.079 -9.006 10.710 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.736 -9.225 11.856 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.362 -10.618 10.942 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.672 -9.193 8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.941 -10.799 8.496 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.033 -9.522 7.651 1.00 0.00 H new ATOM 610 N SER A 43 -2.818 -11.127 8.201 1.00 0.00 N ATOM 611 CA SER A 43 -4.026 -11.941 8.242 1.00 0.00 C ATOM 612 C SER A 43 -3.934 -12.929 9.395 1.00 0.00 C ATOM 613 O SER A 43 -4.935 -13.276 10.021 1.00 0.00 O ATOM 614 CB SER A 43 -4.171 -12.715 6.934 1.00 0.00 C ATOM 615 OG SER A 43 -3.342 -13.865 6.985 1.00 0.00 O ATOM 0 H SER A 43 -2.269 -11.225 7.347 1.00 0.00 H new ATOM 0 HA SER A 43 -4.890 -11.291 8.380 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.210 -13.006 6.782 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.890 -12.085 6.090 1.00 0.00 H new ATOM 0 HG SER A 43 -3.899 -14.666 7.083 1.00 0.00 H new ATOM 621 N GLU A 44 -2.711 -13.368 9.668 1.00 0.00 N ATOM 622 CA GLU A 44 -2.463 -14.311 10.745 1.00 0.00 C ATOM 623 C GLU A 44 -2.250 -13.564 12.053 1.00 0.00 C ATOM 624 O GLU A 44 -3.132 -13.520 12.911 1.00 0.00 O ATOM 625 CB GLU A 44 -1.214 -15.133 10.425 1.00 0.00 C ATOM 626 CG GLU A 44 -1.393 -15.826 9.073 1.00 0.00 C ATOM 627 CD GLU A 44 -2.609 -16.746 9.114 1.00 0.00 C ATOM 628 OE1 GLU A 44 -3.028 -17.094 10.206 1.00 0.00 O ATOM 629 OE2 GLU A 44 -3.102 -17.091 8.052 1.00 0.00 O ATOM 0 H GLU A 44 -1.876 -13.084 9.156 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.325 -14.971 10.844 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.336 -14.487 10.401 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.043 -15.874 11.206 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.517 -15.081 8.287 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.500 -16.401 8.829 1.00 0.00 H new ATOM 685 N PRO A 49 -2.486 -2.462 12.798 1.00 0.00 N ATOM 686 CA PRO A 49 -2.744 -2.085 11.378 1.00 0.00 C ATOM 687 C PRO A 49 -1.934 -0.860 10.956 1.00 0.00 C ATOM 688 O PRO A 49 -1.584 -0.020 11.785 1.00 0.00 O ATOM 689 CB PRO A 49 -4.245 -1.785 11.345 1.00 0.00 C ATOM 690 CG PRO A 49 -4.610 -1.426 12.747 1.00 0.00 C ATOM 691 CD PRO A 49 -3.654 -2.196 13.656 1.00 0.00 C ATOM 0 HA PRO A 49 -2.450 -2.874 10.685 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.467 -0.967 10.660 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.811 -2.651 11.001 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.518 -0.352 12.909 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.645 -1.693 12.959 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.380 -1.611 14.534 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.104 -3.121 14.017 1.00 0.00 H new ATOM 699 N GLN A 50 -1.649 -0.763 9.664 1.00 0.00 N ATOM 700 CA GLN A 50 -0.888 0.367 9.136 1.00 0.00 C ATOM 701 C GLN A 50 -1.728 1.114 8.106 1.00 0.00 C ATOM 702 O GLN A 50 -2.514 0.502 7.390 1.00 0.00 O ATOM 703 CB GLN A 50 0.405 -0.137 8.493 1.00 0.00 C ATOM 704 CG GLN A 50 1.379 -0.576 9.590 1.00 0.00 C ATOM 705 CD GLN A 50 2.047 -1.891 9.201 1.00 0.00 C ATOM 706 OE1 GLN A 50 1.320 -2.968 9.074 1.00 0.00 O flip ATOM 707 NE2 GLN A 50 3.263 -1.939 9.012 1.00 0.00 N flip ATOM 0 H GLN A 50 -1.931 -1.449 8.963 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.637 1.047 9.950 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.191 -0.972 7.825 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.853 0.650 7.886 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.135 0.193 9.745 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.847 -0.695 10.534 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.828 -1.096 9.112 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.705 -2.822 8.755 1.00 0.00 H new ATOM 716 N TYR A 51 -1.577 2.434 8.043 1.00 0.00 N ATOM 717 CA TYR A 51 -2.360 3.223 7.097 1.00 0.00 C ATOM 718 C TYR A 51 -1.470 4.095 6.214 1.00 0.00 C ATOM 719 O TYR A 51 -0.518 4.714 6.688 1.00 0.00 O ATOM 720 CB TYR A 51 -3.332 4.131 7.854 1.00 0.00 C ATOM 721 CG TYR A 51 -4.154 3.315 8.822 1.00 0.00 C ATOM 722 CD1 TYR A 51 -5.305 2.655 8.379 1.00 0.00 C ATOM 723 CD2 TYR A 51 -3.771 3.233 10.166 1.00 0.00 C ATOM 724 CE1 TYR A 51 -6.073 1.909 9.281 1.00 0.00 C ATOM 725 CE2 TYR A 51 -4.540 2.488 11.068 1.00 0.00 C ATOM 726 CZ TYR A 51 -5.691 1.827 10.626 1.00 0.00 C ATOM 727 OH TYR A 51 -6.450 1.092 11.516 1.00 0.00 O ATOM 0 H TYR A 51 -0.933 2.971 8.623 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.904 2.523 6.463 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.779 4.901 8.393 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.987 4.643 7.150 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.601 2.721 7.342 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.883 3.744 10.507 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.960 1.397 8.940 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.245 2.424 12.105 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.675 0.226 11.116 1.00 0.00 H new ATOM 737 N LEU A 52 -1.818 4.160 4.933 1.00 0.00 N ATOM 738 CA LEU A 52 -1.085 4.985 3.981 1.00 0.00 C ATOM 739 C LEU A 52 -2.064 5.898 3.257 1.00 0.00 C ATOM 740 O LEU A 52 -3.121 5.453 2.809 1.00 0.00 O ATOM 741 CB LEU A 52 -0.349 4.107 2.969 1.00 0.00 C ATOM 742 CG LEU A 52 0.535 3.113 3.715 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.203 2.172 2.713 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.611 3.873 4.492 1.00 0.00 C ATOM 0 H LEU A 52 -2.604 3.650 4.530 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.349 5.584 4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.065 3.576 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.257 4.725 2.307 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.075 2.533 4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.835 1.462 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.438 1.631 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.813 2.752 2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.244 3.164 5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.220 4.452 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.137 4.546 5.207 1.00 0.00 H new ATOM 756 N ASP A 53 -1.725 7.174 3.158 1.00 0.00 N ATOM 757 CA ASP A 53 -2.611 8.126 2.499 1.00 0.00 C ATOM 758 C ASP A 53 -2.077 8.539 1.128 1.00 0.00 C ATOM 759 O ASP A 53 -0.895 8.843 0.973 1.00 0.00 O ATOM 760 CB ASP A 53 -2.787 9.366 3.370 1.00 0.00 C ATOM 761 CG ASP A 53 -3.325 8.974 4.742 1.00 0.00 C ATOM 762 OD1 ASP A 53 -3.904 7.908 4.846 1.00 0.00 O ATOM 763 OD2 ASP A 53 -3.147 9.747 5.669 1.00 0.00 O ATOM 0 H ASP A 53 -0.858 7.572 3.518 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.573 7.634 2.355 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.833 9.881 3.479 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.472 10.063 2.888 1.00 0.00 H new ATOM 768 N LEU A 54 -2.967 8.544 0.139 1.00 0.00 N ATOM 769 CA LEU A 54 -2.599 8.915 -1.223 1.00 0.00 C ATOM 770 C LEU A 54 -3.608 9.923 -1.772 1.00 0.00 C ATOM 771 O LEU A 54 -4.749 9.974 -1.312 1.00 0.00 O ATOM 772 CB LEU A 54 -2.596 7.669 -2.109 1.00 0.00 C ATOM 773 CG LEU A 54 -2.035 6.481 -1.331 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.348 5.193 -2.086 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.521 6.632 -1.189 1.00 0.00 C ATOM 0 H LEU A 54 -3.949 8.295 0.256 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.605 9.362 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.609 7.449 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.995 7.847 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.489 6.446 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.949 4.342 -1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.428 5.085 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.891 5.231 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.121 5.784 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.064 6.666 -2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.296 7.555 -0.654 1.00 0.00 H new ATOM 787 N PRO A 55 -3.222 10.717 -2.740 1.00 0.00 N ATOM 788 CA PRO A 55 -4.132 11.730 -3.341 1.00 0.00 C ATOM 789 C PRO A 55 -5.284 11.088 -4.116 1.00 0.00 C ATOM 790 O PRO A 55 -5.205 9.932 -4.532 1.00 0.00 O ATOM 791 CB PRO A 55 -3.234 12.559 -4.264 1.00 0.00 C ATOM 792 CG PRO A 55 -2.001 11.748 -4.497 1.00 0.00 C ATOM 793 CD PRO A 55 -1.885 10.736 -3.357 1.00 0.00 C ATOM 0 HA PRO A 55 -4.615 12.337 -2.575 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.740 12.775 -5.205 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.987 13.517 -3.807 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.056 11.236 -5.458 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.121 12.391 -4.528 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.606 9.750 -3.729 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.121 11.034 -2.639 1.00 0.00 H new ATOM 801 N SER A 56 -6.358 11.851 -4.292 1.00 0.00 N ATOM 802 CA SER A 56 -7.535 11.359 -5.004 1.00 0.00 C ATOM 803 C SER A 56 -7.181 10.931 -6.428 1.00 0.00 C ATOM 804 O SER A 56 -7.978 10.279 -7.103 1.00 0.00 O ATOM 805 CB SER A 56 -8.613 12.441 -5.051 1.00 0.00 C ATOM 806 OG SER A 56 -8.115 13.571 -5.754 1.00 0.00 O ATOM 0 H SER A 56 -6.439 12.810 -3.953 1.00 0.00 H new ATOM 0 HA SER A 56 -7.912 10.490 -4.464 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.507 12.058 -5.542 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.902 12.726 -4.040 1.00 0.00 H new ATOM 0 HG SER A 56 -8.848 14.198 -5.927 1.00 0.00 H new ATOM 812 N THR A 57 -5.993 11.301 -6.889 1.00 0.00 N ATOM 813 CA THR A 57 -5.575 10.939 -8.240 1.00 0.00 C ATOM 814 C THR A 57 -4.785 9.632 -8.233 1.00 0.00 C ATOM 815 O THR A 57 -4.455 9.092 -9.289 1.00 0.00 O ATOM 816 CB THR A 57 -4.718 12.054 -8.838 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.513 12.174 -8.093 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.488 13.375 -8.787 1.00 0.00 C ATOM 0 H THR A 57 -5.311 11.843 -6.359 1.00 0.00 H new ATOM 0 HA THR A 57 -6.469 10.801 -8.848 1.00 0.00 H new ATOM 0 HB THR A 57 -4.481 11.815 -9.875 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.961 12.888 -8.476 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.876 14.170 -9.214 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.411 13.281 -9.359 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.727 13.617 -7.751 1.00 0.00 H new ATOM 826 N ALA A 58 -4.486 9.129 -7.040 1.00 0.00 N ATOM 827 CA ALA A 58 -3.736 7.883 -6.919 1.00 0.00 C ATOM 828 C ALA A 58 -4.667 6.681 -7.049 1.00 0.00 C ATOM 829 O ALA A 58 -5.734 6.643 -6.438 1.00 0.00 O ATOM 830 CB ALA A 58 -3.017 7.837 -5.569 1.00 0.00 C ATOM 0 H ALA A 58 -4.748 9.558 -6.153 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.000 7.842 -7.722 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.459 6.904 -5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.329 8.679 -5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.750 7.895 -4.764 1.00 0.00 H new ATOM 836 N THR A 59 -4.250 5.696 -7.838 1.00 0.00 N ATOM 837 CA THR A 59 -5.052 4.491 -8.026 1.00 0.00 C ATOM 838 C THR A 59 -4.190 3.244 -7.855 1.00 0.00 C ATOM 839 O THR A 59 -4.593 2.144 -8.236 1.00 0.00 O ATOM 840 CB THR A 59 -5.692 4.486 -9.417 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.697 4.746 -10.396 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.778 5.560 -9.487 1.00 0.00 C ATOM 0 H THR A 59 -3.370 5.707 -8.353 1.00 0.00 H new ATOM 0 HA THR A 59 -5.839 4.486 -7.272 1.00 0.00 H new ATOM 0 HB THR A 59 -6.140 3.511 -9.607 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.105 4.741 -11.287 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.232 5.554 -10.478 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.542 5.355 -8.737 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.336 6.538 -9.296 1.00 0.00 H new ATOM 850 N SER A 60 -3.005 3.416 -7.273 1.00 0.00 N ATOM 851 CA SER A 60 -2.098 2.296 -7.050 1.00 0.00 C ATOM 852 C SER A 60 -1.039 2.682 -6.029 1.00 0.00 C ATOM 853 O SER A 60 -0.592 3.829 -5.994 1.00 0.00 O ATOM 854 CB SER A 60 -1.419 1.893 -8.358 1.00 0.00 C ATOM 855 OG SER A 60 -0.473 2.891 -8.721 1.00 0.00 O ATOM 0 H SER A 60 -2.653 4.317 -6.949 1.00 0.00 H new ATOM 0 HA SER A 60 -2.676 1.452 -6.674 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.923 0.930 -8.242 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.162 1.776 -9.146 1.00 0.00 H new ATOM 0 HG SER A 60 -0.034 2.636 -9.559 1.00 0.00 H new ATOM 861 N VAL A 61 -0.644 1.728 -5.194 1.00 0.00 N ATOM 862 CA VAL A 61 0.358 2.010 -4.176 1.00 0.00 C ATOM 863 C VAL A 61 1.193 0.781 -3.860 1.00 0.00 C ATOM 864 O VAL A 61 0.704 -0.348 -3.906 1.00 0.00 O ATOM 865 CB VAL A 61 -0.321 2.480 -2.896 1.00 0.00 C ATOM 866 CG1 VAL A 61 -1.009 1.292 -2.220 1.00 0.00 C ATOM 867 CG2 VAL A 61 0.726 3.066 -1.947 1.00 0.00 C ATOM 0 H VAL A 61 -0.995 0.770 -5.201 1.00 0.00 H new ATOM 0 HA VAL A 61 1.013 2.788 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.061 3.243 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.495 1.626 -1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.755 0.872 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.267 0.530 -1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.240 3.402 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.466 2.303 -1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.220 3.911 -2.427 1.00 0.00 H new ATOM 877 N ASN A 62 2.448 1.018 -3.509 1.00 0.00 N ATOM 878 CA ASN A 62 3.343 -0.066 -3.151 1.00 0.00 C ATOM 879 C ASN A 62 3.559 -0.072 -1.640 1.00 0.00 C ATOM 880 O ASN A 62 3.916 0.950 -1.057 1.00 0.00 O ATOM 881 CB ASN A 62 4.684 0.096 -3.871 1.00 0.00 C ATOM 882 CG ASN A 62 5.640 -1.012 -3.445 1.00 0.00 C ATOM 883 OD1 ASN A 62 6.832 -0.768 -3.262 1.00 0.00 O ATOM 884 ND2 ASN A 62 5.184 -2.221 -3.270 1.00 0.00 N ATOM 0 H ASN A 62 2.866 1.947 -3.465 1.00 0.00 H new ATOM 0 HA ASN A 62 2.896 -1.013 -3.455 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.533 0.063 -4.950 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.116 1.070 -3.639 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.816 -2.968 -2.981 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.195 -2.420 -3.422 1.00 0.00 H new ATOM 891 N ILE A 63 3.333 -1.224 -1.013 1.00 0.00 N ATOM 892 CA ILE A 63 3.503 -1.353 0.430 1.00 0.00 C ATOM 893 C ILE A 63 4.866 -1.971 0.735 1.00 0.00 C ATOM 894 O ILE A 63 5.060 -3.171 0.545 1.00 0.00 O ATOM 895 CB ILE A 63 2.406 -2.250 1.005 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.075 -1.957 0.298 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.267 -1.974 2.502 1.00 0.00 C ATOM 898 CD1 ILE A 63 -0.086 -2.475 1.152 1.00 0.00 C ATOM 0 H ILE A 63 3.032 -2.079 -1.481 1.00 0.00 H new ATOM 0 HA ILE A 63 3.439 -0.364 0.883 1.00 0.00 H new ATOM 0 HB ILE A 63 2.669 -3.296 0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.968 -0.885 0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.060 -2.434 -0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.486 -2.610 2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.213 -2.187 3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.003 -0.928 2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.030 -2.266 0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.019 -3.551 1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.074 -1.978 2.122 1.00 0.00 H new ATOM 910 N PRO A 64 5.814 -1.189 1.184 1.00 0.00 N ATOM 911 CA PRO A 64 7.170 -1.683 1.495 1.00 0.00 C ATOM 912 C PRO A 64 7.307 -2.146 2.940 1.00 0.00 C ATOM 913 O PRO A 64 6.408 -1.956 3.761 1.00 0.00 O ATOM 914 CB PRO A 64 8.037 -0.456 1.233 1.00 0.00 C ATOM 915 CG PRO A 64 7.174 0.712 1.589 1.00 0.00 C ATOM 916 CD PRO A 64 5.714 0.253 1.456 1.00 0.00 C ATOM 0 HA PRO A 64 7.442 -2.557 0.903 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.943 -0.476 1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.352 -0.411 0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.381 1.048 2.605 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.374 1.555 0.927 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.150 0.448 2.368 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.204 0.777 0.648 1.00 0.00 H new ATOM 924 N ASP A 65 8.449 -2.740 3.233 1.00 0.00 N ATOM 925 CA ASP A 65 8.746 -3.229 4.574 1.00 0.00 C ATOM 926 C ASP A 65 7.773 -4.320 5.005 1.00 0.00 C ATOM 927 O ASP A 65 7.369 -4.374 6.168 1.00 0.00 O ATOM 928 CB ASP A 65 8.682 -2.072 5.571 1.00 0.00 C ATOM 929 CG ASP A 65 9.747 -1.036 5.228 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.682 -1.387 4.530 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.607 0.095 5.665 1.00 0.00 O ATOM 0 H ASP A 65 9.195 -2.898 2.556 1.00 0.00 H new ATOM 0 HA ASP A 65 9.749 -3.656 4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.694 -1.613 5.547 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.836 -2.444 6.584 1.00 0.00 H new ATOM 936 N LEU A 66 7.415 -5.204 4.079 1.00 0.00 N ATOM 937 CA LEU A 66 6.508 -6.298 4.410 1.00 0.00 C ATOM 938 C LEU A 66 7.296 -7.510 4.894 1.00 0.00 C ATOM 939 O LEU A 66 8.345 -7.842 4.340 1.00 0.00 O ATOM 940 CB LEU A 66 5.665 -6.680 3.193 1.00 0.00 C ATOM 941 CG LEU A 66 4.862 -5.468 2.719 1.00 0.00 C ATOM 942 CD1 LEU A 66 3.838 -5.915 1.672 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.131 -4.837 3.907 1.00 0.00 C ATOM 0 H LEU A 66 7.732 -5.187 3.110 1.00 0.00 H new ATOM 0 HA LEU A 66 5.844 -5.964 5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.310 -7.037 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.991 -7.498 3.448 1.00 0.00 H new ATOM 0 HG LEU A 66 5.539 -4.735 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.264 -5.052 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.356 -6.362 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.163 -6.649 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.560 -3.974 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.454 -5.569 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.858 -4.519 4.654 1.00 0.00 H new ATOM 955 N LEU A 67 6.787 -8.167 5.933 1.00 0.00 N ATOM 956 CA LEU A 67 7.449 -9.338 6.495 1.00 0.00 C ATOM 957 C LEU A 67 7.390 -10.517 5.521 1.00 0.00 C ATOM 958 O LEU A 67 6.317 -10.864 5.029 1.00 0.00 O ATOM 959 CB LEU A 67 6.749 -9.738 7.793 1.00 0.00 C ATOM 960 CG LEU A 67 6.917 -8.629 8.834 1.00 0.00 C ATOM 961 CD1 LEU A 67 5.839 -8.767 9.912 1.00 0.00 C ATOM 962 CD2 LEU A 67 8.297 -8.748 9.486 1.00 0.00 C ATOM 0 H LEU A 67 5.919 -7.908 6.402 1.00 0.00 H new ATOM 0 HA LEU A 67 8.493 -9.087 6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.690 -9.917 7.606 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.168 -10.671 8.171 1.00 0.00 H new ATOM 0 HG LEU A 67 6.822 -7.659 8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.961 -7.976 10.652 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.853 -8.686 9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.934 -9.737 10.399 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.418 -7.959 10.228 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.387 -9.720 9.972 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.069 -8.651 8.723 1.00 0.00 H new ATOM 974 N PRO A 68 8.507 -11.145 5.244 1.00 0.00 N ATOM 975 CA PRO A 68 8.561 -12.316 4.320 1.00 0.00 C ATOM 976 C PRO A 68 7.964 -13.572 4.952 1.00 0.00 C ATOM 977 O PRO A 68 8.203 -13.860 6.125 1.00 0.00 O ATOM 978 CB PRO A 68 10.052 -12.496 4.052 1.00 0.00 C ATOM 979 CG PRO A 68 10.725 -11.947 5.258 1.00 0.00 C ATOM 980 CD PRO A 68 9.838 -10.815 5.774 1.00 0.00 C ATOM 0 HA PRO A 68 7.979 -12.151 3.413 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.303 -13.546 3.903 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.359 -11.964 3.151 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.850 -12.719 6.018 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.721 -11.578 5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.836 -10.773 6.863 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.181 -9.844 5.418 1.00 0.00 H new ATOM 988 N GLY A 69 7.191 -14.320 4.169 1.00 0.00 N ATOM 989 CA GLY A 69 6.572 -15.544 4.667 1.00 0.00 C ATOM 990 C GLY A 69 5.374 -15.231 5.559 1.00 0.00 C ATOM 991 O GLY A 69 4.972 -16.050 6.384 1.00 0.00 O ATOM 0 H GLY A 69 6.980 -14.102 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.253 -16.161 3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.305 -16.124 5.228 1.00 0.00 H new ATOM 995 N ARG A 70 4.810 -14.041 5.387 1.00 0.00 N ATOM 996 CA ARG A 70 3.657 -13.626 6.180 1.00 0.00 C ATOM 997 C ARG A 70 2.513 -13.197 5.274 1.00 0.00 C ATOM 998 O ARG A 70 2.737 -12.680 4.180 1.00 0.00 O ATOM 999 CB ARG A 70 4.049 -12.468 7.098 1.00 0.00 C ATOM 1000 CG ARG A 70 4.981 -12.975 8.196 1.00 0.00 C ATOM 1001 CD ARG A 70 4.147 -13.465 9.378 1.00 0.00 C ATOM 1002 NE ARG A 70 4.020 -12.410 10.378 1.00 0.00 N ATOM 1003 CZ ARG A 70 5.091 -11.899 10.976 1.00 0.00 C ATOM 1004 NH1 ARG A 70 6.281 -12.343 10.677 1.00 0.00 N ATOM 1005 NH2 ARG A 70 4.954 -10.953 11.865 1.00 0.00 N ATOM 0 H ARG A 70 5.130 -13.349 4.709 1.00 0.00 H new ATOM 0 HA ARG A 70 3.327 -14.472 6.783 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.542 -11.685 6.522 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.157 -12.024 7.541 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.604 -13.784 7.815 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.653 -12.178 8.515 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.159 -13.770 9.033 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.615 -14.343 9.823 1.00 0.00 H new ATOM 0 HE ARG A 70 3.094 -12.059 10.622 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.390 -13.083 9.984 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.102 -11.950 11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.024 -10.606 12.101 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.776 -10.561 12.324 1.00 0.00 H new ATOM 1019 N LYS A 71 1.284 -13.412 5.733 1.00 0.00 N ATOM 1020 CA LYS A 71 0.125 -13.038 4.946 1.00 0.00 C ATOM 1021 C LYS A 71 -0.434 -11.701 5.407 1.00 0.00 C ATOM 1022 O LYS A 71 -0.601 -11.458 6.602 1.00 0.00 O ATOM 1023 CB LYS A 71 -0.953 -14.114 5.048 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.028 -13.848 3.994 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.140 -14.892 4.114 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.006 -14.851 2.855 1.00 0.00 C ATOM 1027 NZ LYS A 71 -4.808 -16.103 2.764 1.00 0.00 N ATOM 0 H LYS A 71 1.071 -13.838 6.635 1.00 0.00 H new ATOM 0 HA LYS A 71 0.438 -12.943 3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.515 -15.101 4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.395 -14.110 6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.440 -12.848 4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.589 -13.883 2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.710 -15.885 4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.749 -14.692 4.996 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.667 -13.984 2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.377 -14.744 1.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.398 -16.076 1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.169 -16.922 2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.418 -16.186 3.602 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.726 -10.845 4.442 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.276 -9.530 4.735 1.00 0.00 C ATOM 1043 C TYR A 72 -2.629 -9.349 4.068 1.00 0.00 C ATOM 1044 O TYR A 72 -2.875 -9.869 2.980 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.358 -8.434 4.201 1.00 0.00 C ATOM 1046 CG TYR A 72 0.912 -8.353 5.007 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.916 -9.310 4.836 1.00 0.00 C ATOM 1048 CD2 TYR A 72 1.092 -7.303 5.915 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.097 -9.222 5.577 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.275 -7.211 6.654 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.278 -8.172 6.484 1.00 0.00 C ATOM 1052 OH TYR A 72 4.447 -8.086 7.210 1.00 0.00 O ATOM 0 H TYR A 72 -0.592 -11.036 3.449 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.373 -9.457 5.818 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.118 -8.633 3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.875 -7.475 4.232 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.779 -10.117 4.131 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.316 -6.563 6.045 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.871 -9.965 5.450 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.415 -6.401 7.354 1.00 0.00 H new ATOM 0 HH TYR A 72 4.413 -7.299 7.793 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.479 -8.559 4.699 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.779 -8.252 4.135 1.00 0.00 C ATOM 1064 C ILE A 73 -4.741 -6.810 3.676 1.00 0.00 C ATOM 1065 O ILE A 73 -4.339 -5.929 4.430 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.877 -8.445 5.175 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.793 -9.862 5.735 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.242 -8.238 4.516 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.762 -10.000 6.908 1.00 0.00 C ATOM 0 H ILE A 73 -3.292 -8.120 5.600 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.998 -8.919 3.301 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.750 -7.724 5.982 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.038 -10.587 4.959 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.776 -10.076 6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.029 -8.376 5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.300 -7.229 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.371 -8.962 3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.704 -11.011 7.310 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.496 -9.284 7.686 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.778 -9.803 6.566 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.127 -6.566 2.441 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.089 -5.213 1.918 1.00 0.00 C ATOM 1083 C VAL A 74 -6.478 -4.714 1.572 1.00 0.00 C ATOM 1084 O VAL A 74 -7.234 -5.374 0.859 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.206 -5.169 0.672 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.054 -3.721 0.211 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.827 -5.749 0.998 1.00 0.00 C ATOM 0 H VAL A 74 -5.466 -7.273 1.788 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.677 -4.564 2.690 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.667 -5.759 -0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.424 -3.686 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.035 -3.309 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.594 -3.133 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.199 -5.717 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.363 -5.162 1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.936 -6.782 1.328 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.799 -3.533 2.075 1.00 0.00 N ATOM 1098 CA ASN A 75 -8.090 -2.926 1.813 1.00 0.00 C ATOM 1099 C ASN A 75 -7.904 -1.465 1.448 1.00 0.00 C ATOM 1100 O ASN A 75 -7.299 -0.700 2.199 1.00 0.00 O ATOM 1101 CB ASN A 75 -8.978 -3.043 3.049 1.00 0.00 C ATOM 1102 CG ASN A 75 -9.251 -4.509 3.348 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -10.248 -5.064 2.885 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -8.415 -5.174 4.091 1.00 0.00 N ATOM 0 H ASN A 75 -6.182 -2.977 2.667 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.568 -3.445 0.982 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.492 -2.572 3.904 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.917 -2.514 2.885 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.584 -6.160 4.292 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.591 -4.710 4.472 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.419 -1.079 0.292 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.285 0.302 -0.148 1.00 0.00 C ATOM 1113 C VAL A 76 -9.574 1.070 0.107 1.00 0.00 C ATOM 1114 O VAL A 76 -10.656 0.641 -0.294 1.00 0.00 O ATOM 1115 CB VAL A 76 -7.948 0.353 -1.639 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.624 1.795 -2.033 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.736 -0.541 -1.923 1.00 0.00 C ATOM 0 H VAL A 76 -8.925 -1.689 -0.350 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.477 0.764 0.420 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.800 -0.002 -2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.383 1.837 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.487 2.430 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.771 2.148 -1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.497 -0.503 -2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.881 -0.189 -1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.967 -1.568 -1.639 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.449 2.212 0.772 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.603 3.043 1.072 1.00 0.00 C ATOM 1129 C TYR A 77 -10.425 4.415 0.440 1.00 0.00 C ATOM 1130 O TYR A 77 -9.347 4.998 0.518 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.742 3.219 2.587 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.781 1.869 3.266 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -12.004 1.217 3.469 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.590 1.273 3.703 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -12.035 -0.030 4.106 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.623 0.027 4.340 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.844 -0.625 4.542 1.00 0.00 C ATOM 1138 OH TYR A 77 -10.876 -1.854 5.169 1.00 0.00 O ATOM 0 H TYR A 77 -8.561 2.581 1.112 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.494 2.559 0.673 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.906 3.804 2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.651 3.775 2.814 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.923 1.676 3.134 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.647 1.775 3.548 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.978 -0.533 4.261 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.705 -0.432 4.676 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.635 -2.374 4.832 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.475 4.942 -0.170 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.372 6.263 -0.775 1.00 0.00 C ATOM 1150 C GLN A 78 -12.030 7.282 0.146 1.00 0.00 C ATOM 1151 O GLN A 78 -13.086 7.020 0.724 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.046 6.287 -2.148 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.535 6.596 -1.989 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.295 6.119 -3.221 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -13.668 6.008 -4.360 1.00 0.00 O flip ATOM 1156 NE2 GLN A 78 -15.492 5.838 -3.144 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.386 4.491 -0.259 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.319 6.511 -0.912 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.575 7.039 -2.781 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -11.916 5.325 -2.644 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -13.925 6.105 -1.097 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.681 7.668 -1.852 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -15.980 5.925 -2.253 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -15.995 5.518 -3.972 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.387 8.429 0.307 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.906 9.461 1.191 1.00 0.00 C ATOM 1167 C ILE A 79 -12.615 10.555 0.410 1.00 0.00 C ATOM 1168 O ILE A 79 -12.061 11.127 -0.528 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.752 10.067 1.982 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.996 8.940 2.682 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.306 11.046 3.020 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.755 9.496 3.378 1.00 0.00 C ATOM 0 H ILE A 79 -10.512 8.667 -0.159 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.630 9.005 1.866 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.078 10.603 1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.645 8.454 3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.706 8.180 1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.482 11.480 3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.857 11.839 2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.974 10.517 3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.222 8.685 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.102 9.961 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.055 10.239 4.117 1.00 0.00 H new ATOM 1184 N SER A 80 -13.843 10.843 0.816 1.00 0.00 N ATOM 1185 CA SER A 80 -14.629 11.873 0.167 1.00 0.00 C ATOM 1186 C SER A 80 -14.287 13.240 0.746 1.00 0.00 C ATOM 1187 O SER A 80 -13.541 13.344 1.719 1.00 0.00 O ATOM 1188 CB SER A 80 -16.115 11.585 0.361 1.00 0.00 C ATOM 1189 OG SER A 80 -16.503 11.961 1.672 1.00 0.00 O ATOM 0 H SER A 80 -14.313 10.376 1.592 1.00 0.00 H new ATOM 0 HA SER A 80 -14.398 11.875 -0.898 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.702 12.135 -0.375 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.315 10.525 0.201 1.00 0.00 H new ATOM 0 HG SER A 80 -15.713 11.990 2.251 1.00 0.00 H new ATOM 1195 N GLU A 81 -14.833 14.283 0.140 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.579 15.643 0.595 1.00 0.00 C ATOM 1197 C GLU A 81 -15.048 15.831 2.036 1.00 0.00 C ATOM 1198 O GLU A 81 -14.646 16.782 2.707 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.300 16.636 -0.317 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.714 16.542 -1.726 1.00 0.00 C ATOM 1201 CD GLU A 81 -15.404 17.542 -2.645 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -16.392 18.120 -2.224 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -14.934 17.716 -3.757 1.00 0.00 O ATOM 0 H GLU A 81 -15.454 14.215 -0.667 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.505 15.825 0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.368 16.418 -0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.189 17.649 0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -13.643 16.741 -1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.840 15.531 -2.115 1.00 0.00 H new ATOM 1210 N ASP A 82 -15.909 14.929 2.508 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.422 15.029 3.874 1.00 0.00 C ATOM 1212 C ASP A 82 -15.598 14.184 4.845 1.00 0.00 C ATOM 1213 O ASP A 82 -15.832 14.214 6.053 1.00 0.00 O ATOM 1214 CB ASP A 82 -17.877 14.564 3.920 1.00 0.00 C ATOM 1215 CG ASP A 82 -17.946 13.061 3.673 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -16.913 12.417 3.772 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.028 12.575 3.388 1.00 0.00 O ATOM 0 H ASP A 82 -16.261 14.134 1.975 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.352 16.074 4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.314 14.803 4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.462 15.093 3.167 1.00 0.00 H new ATOM 1222 N GLY A 83 -14.628 13.443 4.319 1.00 0.00 N ATOM 1223 CA GLY A 83 -13.776 12.611 5.166 1.00 0.00 C ATOM 1224 C GLY A 83 -14.359 11.213 5.379 1.00 0.00 C ATOM 1225 O GLY A 83 -13.896 10.469 6.245 1.00 0.00 O ATOM 0 H GLY A 83 -14.413 13.400 3.323 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.789 12.525 4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.642 13.097 6.132 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.356 10.849 4.579 1.00 0.00 N ATOM 1230 CA GLU A 84 -15.962 9.524 4.689 1.00 0.00 C ATOM 1231 C GLU A 84 -15.156 8.504 3.889 1.00 0.00 C ATOM 1232 O GLU A 84 -14.574 8.836 2.856 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.404 9.554 4.180 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.292 10.305 5.178 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.380 9.531 6.489 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.010 8.369 6.494 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -18.816 10.112 7.469 1.00 0.00 O ATOM 0 H GLU A 84 -15.759 11.444 3.855 1.00 0.00 H new ATOM 0 HA GLU A 84 -15.962 9.233 5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.445 10.040 3.205 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.773 8.537 4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.886 11.300 5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.289 10.440 4.759 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.120 7.264 4.370 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.376 6.213 3.684 1.00 0.00 C ATOM 1246 C GLN A 85 -15.303 5.151 3.103 1.00 0.00 C ATOM 1247 O GLN A 85 -16.356 4.849 3.665 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.396 5.543 4.645 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.195 6.456 4.873 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.173 5.758 5.763 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -10.244 5.018 5.221 1.00 0.00 O flip ATOM 1252 NE2 GLN A 85 -11.225 5.885 6.986 1.00 0.00 N flip ATOM 0 H GLN A 85 -15.592 6.965 5.223 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.833 6.686 2.865 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.889 5.331 5.594 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.067 4.588 4.236 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.740 6.717 3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.518 7.387 5.338 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.951 6.463 7.408 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.542 5.412 7.577 1.00 0.00 H new ATOM 1261 N SER A 86 -14.883 4.580 1.978 1.00 0.00 N ATOM 1262 CA SER A 86 -15.653 3.534 1.314 1.00 0.00 C ATOM 1263 C SER A 86 -14.717 2.444 0.804 1.00 0.00 C ATOM 1264 O SER A 86 -13.742 2.734 0.110 1.00 0.00 O ATOM 1265 CB SER A 86 -16.429 4.123 0.138 1.00 0.00 C ATOM 1266 OG SER A 86 -17.303 3.134 -0.390 1.00 0.00 O ATOM 0 H SER A 86 -14.012 4.825 1.507 1.00 0.00 H new ATOM 0 HA SER A 86 -16.353 3.106 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.000 4.993 0.463 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.739 4.464 -0.634 1.00 0.00 H new ATOM 0 HG SER A 86 -17.804 3.509 -1.144 1.00 0.00 H new ATOM 1272 N LEU A 87 -15.011 1.191 1.139 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.172 0.089 0.683 1.00 0.00 C ATOM 1274 C LEU A 87 -14.399 -0.157 -0.799 1.00 0.00 C ATOM 1275 O LEU A 87 -15.511 -0.469 -1.223 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.489 -1.189 1.465 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.569 -2.326 1.006 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.188 -2.171 1.647 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.172 -3.670 1.422 1.00 0.00 C ATOM 0 H LEU A 87 -15.808 0.917 1.713 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.130 0.358 0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.359 -1.013 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.531 -1.469 1.313 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.469 -2.288 -0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.540 -2.983 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.754 -1.216 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.285 -2.204 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.518 -4.479 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.276 -3.702 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.152 -3.787 0.960 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.344 -0.008 -1.584 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.453 -0.207 -3.020 1.00 0.00 C ATOM 1293 C ILE A 88 -12.689 -1.446 -3.463 1.00 0.00 C ATOM 1294 O ILE A 88 -12.974 -2.013 -4.519 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.909 1.020 -3.750 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.406 1.142 -3.484 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.620 2.274 -3.240 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.819 2.244 -4.366 1.00 0.00 C ATOM 0 H ILE A 88 -12.412 0.247 -1.256 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.505 -0.349 -3.267 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.084 0.915 -4.821 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.229 1.370 -2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.911 0.193 -3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.232 3.149 -3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.690 2.186 -3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.445 2.381 -2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.749 2.331 -4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.983 1.997 -5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.306 3.192 -4.137 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.713 -1.863 -2.665 1.00 0.00 N ATOM 1311 CA LEU A 89 -10.921 -3.039 -3.023 1.00 0.00 C ATOM 1312 C LEU A 89 -10.317 -3.714 -1.795 1.00 0.00 C ATOM 1313 O LEU A 89 -9.635 -3.075 -0.993 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.794 -2.639 -3.981 1.00 0.00 C ATOM 1315 CG LEU A 89 -9.033 -3.893 -4.428 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -9.840 -4.637 -5.496 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.674 -3.489 -5.006 1.00 0.00 C ATOM 0 H LEU A 89 -11.453 -1.418 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.593 -3.748 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.206 -2.122 -4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.114 -1.944 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.884 -4.547 -3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.295 -5.527 -5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.806 -4.930 -5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.995 -3.985 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.134 -4.381 -5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.824 -2.832 -5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.095 -2.966 -4.244 1.00 0.00 H new ATOM 1329 N SER A 90 -10.558 -5.019 -1.670 1.00 0.00 N ATOM 1330 CA SER A 90 -10.019 -5.790 -0.553 1.00 0.00 C ATOM 1331 C SER A 90 -9.451 -7.116 -1.055 1.00 0.00 C ATOM 1332 O SER A 90 -10.174 -7.936 -1.623 1.00 0.00 O ATOM 1333 CB SER A 90 -11.115 -6.060 0.480 1.00 0.00 C ATOM 1334 OG SER A 90 -10.573 -6.816 1.554 1.00 0.00 O ATOM 0 H SER A 90 -11.120 -5.561 -2.326 1.00 0.00 H new ATOM 0 HA SER A 90 -9.222 -5.213 -0.085 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.521 -5.119 0.851 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.940 -6.603 0.018 1.00 0.00 H new ATOM 0 HG SER A 90 -10.462 -6.238 2.338 1.00 0.00 H new ATOM 1340 N THR A 91 -8.152 -7.321 -0.846 1.00 0.00 N ATOM 1341 CA THR A 91 -7.502 -8.552 -1.286 1.00 0.00 C ATOM 1342 C THR A 91 -6.402 -8.961 -0.312 1.00 0.00 C ATOM 1343 O THR A 91 -5.903 -8.137 0.446 1.00 0.00 O ATOM 1344 CB THR A 91 -6.898 -8.356 -2.677 1.00 0.00 C ATOM 1345 OG1 THR A 91 -6.591 -9.624 -3.238 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.620 -7.522 -2.565 1.00 0.00 C ATOM 0 H THR A 91 -7.534 -6.657 -0.379 1.00 0.00 H new ATOM 0 HA THR A 91 -8.254 -9.340 -1.320 1.00 0.00 H new ATOM 0 HB THR A 91 -7.612 -7.838 -3.317 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.205 -9.502 -4.131 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.189 -7.382 -3.556 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.856 -6.550 -2.132 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.903 -8.039 -1.927 1.00 0.00 H new ATOM 1354 N SER A 92 -6.022 -10.234 -0.344 1.00 0.00 N ATOM 1355 CA SER A 92 -4.971 -10.725 0.542 1.00 0.00 C ATOM 1356 C SER A 92 -3.876 -11.424 -0.260 1.00 0.00 C ATOM 1357 O SER A 92 -4.129 -11.974 -1.332 1.00 0.00 O ATOM 1358 CB SER A 92 -5.558 -11.705 1.557 1.00 0.00 C ATOM 1359 OG SER A 92 -5.855 -12.932 0.904 1.00 0.00 O ATOM 0 H SER A 92 -6.420 -10.938 -0.966 1.00 0.00 H new ATOM 0 HA SER A 92 -4.538 -9.872 1.065 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.851 -11.873 2.369 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.461 -11.288 2.002 1.00 0.00 H new ATOM 0 HG SER A 92 -6.373 -13.506 1.506 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.661 -11.409 0.279 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.527 -12.052 -0.377 1.00 0.00 C ATOM 1367 C GLN A 93 -0.572 -12.632 0.653 1.00 0.00 C ATOM 1368 O GLN A 93 -0.612 -12.271 1.829 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.765 -11.053 -1.249 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.591 -10.689 -2.482 1.00 0.00 C ATOM 1371 CD GLN A 93 -0.756 -9.807 -3.404 1.00 0.00 C ATOM 1372 OE1 GLN A 93 0.453 -9.471 -3.040 1.00 0.00 O flip ATOM 1373 NE2 GLN A 93 -1.212 -9.420 -4.479 1.00 0.00 N flip ATOM 0 H GLN A 93 -2.436 -10.960 1.167 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.920 -12.853 -1.003 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.541 -10.154 -0.674 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.189 -11.481 -1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.901 -11.593 -3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.500 -10.166 -2.184 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.157 -9.686 -4.758 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.646 -8.833 -5.092 1.00 0.00 H new ATOM 1382 N THR A 94 0.290 -13.525 0.194 1.00 0.00 N ATOM 1383 CA THR A 94 1.265 -14.149 1.070 1.00 0.00 C ATOM 1384 C THR A 94 2.675 -13.761 0.636 1.00 0.00 C ATOM 1385 O THR A 94 3.159 -14.206 -0.404 1.00 0.00 O ATOM 1386 CB THR A 94 1.097 -15.666 1.019 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.205 -15.979 0.540 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.279 -16.249 2.420 1.00 0.00 C ATOM 0 H THR A 94 0.334 -13.833 -0.778 1.00 0.00 H new ATOM 0 HA THR A 94 1.107 -13.806 2.092 1.00 0.00 H new ATOM 0 HB THR A 94 1.845 -16.093 0.351 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.315 -16.952 0.504 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.159 -17.332 2.382 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.276 -16.007 2.788 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.532 -15.824 3.091 1.00 0.00 H new ATOM 1396 N THR A 95 3.326 -12.921 1.436 1.00 0.00 N ATOM 1397 CA THR A 95 4.676 -12.470 1.121 1.00 0.00 C ATOM 1398 C THR A 95 5.552 -13.647 0.702 1.00 0.00 C ATOM 1399 O THR A 95 5.602 -14.615 1.443 1.00 0.00 O ATOM 1400 CB THR A 95 5.294 -11.776 2.341 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.199 -12.635 3.469 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.543 -10.473 2.626 1.00 0.00 C ATOM 1403 OXT THR A 95 6.160 -13.563 -0.352 1.00 0.00 O ATOM 0 H THR A 95 2.943 -12.541 2.302 1.00 0.00 H new ATOM 0 HA THR A 95 4.619 -11.764 0.293 1.00 0.00 H new ATOM 0 HB THR A 95 6.341 -11.552 2.140 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.274 -12.945 3.568 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.984 -9.981 3.493 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.615 -9.815 1.760 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.495 -10.694 2.828 1.00 0.00 H new