USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 616 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 77 SER OG : rot -129:sc= 0.526 USER MOD Set 1.2: A 80 ASN : amide:sc= 0.7 K(o=1.2,f=-3.1!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.146 K(o=0.15,f=-2.3!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.941 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.789 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 THR OG1 : rot -57:sc= 1.08 USER MOD Single : A 57 SER OG : rot 82:sc= -0.523 USER MOD Single : A 62 SER OG : rot -36:sc= 0.668 USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= 0.315 (180deg=0.306) USER MOD Single : A 69 GLN : amide:sc= -0.377 K(o=-0.38,f=-3.9!) USER MOD Single : A 74 ASN : amide:sc= 0.306 X(o=0.31,f=-0.039) USER MOD Single : A 83 HIS : no HD1:sc= -1.59 X(o=-1.6,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -1 X(o=-1,f=-0.53) USER MOD Single : A 99 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 271 N GLU A 21 -5.864 11.368 6.450 1.00 0.00 N ATOM 272 CA GLU A 21 -5.550 10.172 5.675 1.00 0.00 C ATOM 273 C GLU A 21 -6.824 9.473 5.213 1.00 0.00 C ATOM 274 O GLU A 21 -7.847 9.510 5.897 1.00 0.00 O ATOM 275 CB GLU A 21 -4.700 9.211 6.507 1.00 0.00 C ATOM 276 CG GLU A 21 -3.232 9.602 6.578 1.00 0.00 C ATOM 277 CD GLU A 21 -2.911 10.435 7.803 1.00 0.00 C ATOM 278 OE1 GLU A 21 -2.690 9.844 8.882 1.00 0.00 O ATOM 279 OE2 GLU A 21 -2.879 11.677 7.684 1.00 0.00 O ATOM 0 HA GLU A 21 -4.985 10.477 4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.104 9.164 7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.781 8.209 6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.619 8.701 6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.965 10.162 5.682 1.00 0.00 H new ATOM 286 N LYS A 22 -6.755 8.837 4.048 1.00 0.00 N ATOM 287 CA LYS A 22 -7.903 8.128 3.494 1.00 0.00 C ATOM 288 C LYS A 22 -7.525 6.706 3.095 1.00 0.00 C ATOM 289 O LYS A 22 -6.635 6.498 2.269 1.00 0.00 O ATOM 290 CB LYS A 22 -8.457 8.880 2.282 1.00 0.00 C ATOM 291 CG LYS A 22 -9.838 8.409 1.853 1.00 0.00 C ATOM 292 CD LYS A 22 -10.227 8.978 0.498 1.00 0.00 C ATOM 293 CE LYS A 22 -10.277 7.897 -0.570 1.00 0.00 C ATOM 294 NZ LYS A 22 -10.506 8.466 -1.927 1.00 0.00 N ATOM 0 H LYS A 22 -5.916 8.798 3.469 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.672 8.077 4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.501 9.944 2.514 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.767 8.764 1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.854 7.320 1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.574 8.709 2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.201 9.462 0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.511 9.746 0.206 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.341 7.338 -0.564 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.072 7.190 -0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.533 7.696 -2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.411 8.978 -1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.734 9.121 -2.164 1.00 0.00 H new ATOM 308 N LYS A 23 -8.205 5.730 3.687 1.00 0.00 N ATOM 309 CA LYS A 23 -7.941 4.327 3.392 1.00 0.00 C ATOM 310 C LYS A 23 -8.874 3.815 2.300 1.00 0.00 C ATOM 311 O LYS A 23 -10.042 4.201 2.236 1.00 0.00 O ATOM 312 CB LYS A 23 -8.099 3.480 4.657 1.00 0.00 C ATOM 313 CG LYS A 23 -6.778 3.110 5.311 1.00 0.00 C ATOM 314 CD LYS A 23 -6.977 2.113 6.442 1.00 0.00 C ATOM 315 CE LYS A 23 -5.802 2.126 7.407 1.00 0.00 C ATOM 316 NZ LYS A 23 -6.076 1.313 8.625 1.00 0.00 N ATOM 0 H LYS A 23 -8.943 5.885 4.374 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.915 4.243 3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.710 4.026 5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.640 2.567 4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.107 2.686 4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.297 4.009 5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.895 2.350 6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.099 1.112 6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.915 1.740 6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.582 3.153 7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.251 1.347 9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.907 1.696 9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.261 0.327 8.350 1.00 0.00 H new ATOM 330 N VAL A 24 -8.353 2.944 1.442 1.00 0.00 N ATOM 331 CA VAL A 24 -9.140 2.380 0.352 1.00 0.00 C ATOM 332 C VAL A 24 -9.014 0.861 0.313 1.00 0.00 C ATOM 333 O VAL A 24 -8.195 0.315 -0.426 1.00 0.00 O ATOM 334 CB VAL A 24 -8.708 2.955 -1.010 1.00 0.00 C ATOM 335 CG1 VAL A 24 -9.664 2.511 -2.106 1.00 0.00 C ATOM 336 CG2 VAL A 24 -8.626 4.473 -0.947 1.00 0.00 C ATOM 0 H VAL A 24 -7.389 2.613 1.481 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.179 2.652 0.539 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.716 2.570 -1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.342 2.927 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.667 1.423 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.669 2.864 -1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.319 4.861 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.603 4.880 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.897 4.767 -0.192 1.00 0.00 H new ATOM 346 N ASN A 25 -9.831 0.184 1.114 1.00 0.00 N ATOM 347 CA ASN A 25 -9.811 -1.274 1.170 1.00 0.00 C ATOM 348 C ASN A 25 -10.363 -1.875 -0.118 1.00 0.00 C ATOM 349 O ASN A 25 -11.452 -1.517 -0.566 1.00 0.00 O ATOM 350 CB ASN A 25 -10.623 -1.769 2.367 1.00 0.00 C ATOM 351 CG ASN A 25 -12.062 -1.293 2.327 1.00 0.00 C ATOM 352 OD1 ASN A 25 -12.343 -0.114 2.540 1.00 0.00 O ATOM 353 ND2 ASN A 25 -12.982 -2.210 2.053 1.00 0.00 N ATOM 0 H ASN A 25 -10.514 0.621 1.733 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.776 -1.595 1.284 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.604 -2.859 2.389 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.154 -1.423 3.288 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -13.967 -1.948 2.013 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.704 -3.177 1.883 1.00 0.00 H new ATOM 360 N LEU A 26 -9.603 -2.792 -0.710 1.00 0.00 N ATOM 361 CA LEU A 26 -10.017 -3.444 -1.947 1.00 0.00 C ATOM 362 C LEU A 26 -9.964 -4.963 -1.805 1.00 0.00 C ATOM 363 O LEU A 26 -9.002 -5.513 -1.271 1.00 0.00 O ATOM 364 CB LEU A 26 -9.124 -2.998 -3.106 1.00 0.00 C ATOM 365 CG LEU A 26 -9.169 -1.501 -3.419 1.00 0.00 C ATOM 366 CD1 LEU A 26 -8.074 -1.130 -4.405 1.00 0.00 C ATOM 367 CD2 LEU A 26 -10.535 -1.113 -3.966 1.00 0.00 C ATOM 0 H LEU A 26 -8.698 -3.100 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.046 -3.152 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.095 -3.275 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.413 -3.550 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.999 -0.950 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.121 -0.062 -4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.101 -1.373 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.213 -1.689 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.550 -0.045 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.733 -1.672 -4.880 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.302 -1.343 -3.227 1.00 0.00 H new ATOM 379 N VAL A 27 -11.006 -5.633 -2.286 1.00 0.00 N ATOM 380 CA VAL A 27 -11.079 -7.086 -2.213 1.00 0.00 C ATOM 381 C VAL A 27 -10.852 -7.718 -3.582 1.00 0.00 C ATOM 382 O VAL A 27 -11.682 -7.589 -4.482 1.00 0.00 O ATOM 383 CB VAL A 27 -12.440 -7.555 -1.665 1.00 0.00 C ATOM 384 CG1 VAL A 27 -12.426 -9.054 -1.408 1.00 0.00 C ATOM 385 CG2 VAL A 27 -12.795 -6.792 -0.398 1.00 0.00 C ATOM 0 H VAL A 27 -11.811 -5.192 -2.730 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.291 -7.407 -1.531 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.204 -7.347 -2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.396 -9.366 -1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.220 -9.581 -2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.651 -9.291 -0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.759 -7.136 -0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.030 -6.966 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.851 -5.726 -0.619 1.00 0.00 H new ATOM 395 N LEU A 28 -9.721 -8.400 -3.733 1.00 0.00 N ATOM 396 CA LEU A 28 -9.385 -9.051 -4.994 1.00 0.00 C ATOM 397 C LEU A 28 -9.969 -10.459 -5.052 1.00 0.00 C ATOM 398 O LEU A 28 -10.081 -11.138 -4.032 1.00 0.00 O ATOM 399 CB LEU A 28 -7.866 -9.109 -5.172 1.00 0.00 C ATOM 400 CG LEU A 28 -7.176 -7.749 -5.294 1.00 0.00 C ATOM 401 CD1 LEU A 28 -5.666 -7.907 -5.210 1.00 0.00 C ATOM 402 CD2 LEU A 28 -7.571 -7.068 -6.598 1.00 0.00 C ATOM 0 H LEU A 28 -9.023 -8.516 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.818 -8.464 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.436 -9.643 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.642 -9.694 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.501 -7.121 -4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.192 -6.929 -5.299 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.400 -8.354 -4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.322 -8.551 -6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.072 -6.102 -6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.274 -7.693 -7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.651 -6.921 -6.619 1.00 0.00 H new ATOM 464 N SER A 33 -5.924 -7.521 -10.092 1.00 0.00 N ATOM 465 CA SER A 33 -4.932 -6.454 -10.034 1.00 0.00 C ATOM 466 C SER A 33 -5.596 -5.108 -9.761 1.00 0.00 C ATOM 467 O SER A 33 -6.789 -4.932 -10.006 1.00 0.00 O ATOM 468 CB SER A 33 -4.143 -6.391 -11.343 1.00 0.00 C ATOM 469 OG SER A 33 -2.829 -5.907 -11.125 1.00 0.00 O ATOM 0 HA SER A 33 -4.247 -6.673 -9.215 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.098 -7.383 -11.792 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.659 -5.743 -12.051 1.00 0.00 H new ATOM 0 HG SER A 33 -2.345 -5.878 -11.977 1.00 0.00 H new ATOM 475 N LEU A 34 -4.814 -4.161 -9.252 1.00 0.00 N ATOM 476 CA LEU A 34 -5.326 -2.830 -8.946 1.00 0.00 C ATOM 477 C LEU A 34 -5.357 -1.958 -10.196 1.00 0.00 C ATOM 478 O LEU A 34 -6.377 -1.344 -10.513 1.00 0.00 O ATOM 479 CB LEU A 34 -4.469 -2.167 -7.866 1.00 0.00 C ATOM 480 CG LEU A 34 -4.417 -2.913 -6.534 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.578 -2.145 -5.524 1.00 0.00 C ATOM 482 CD2 LEU A 34 -5.822 -3.145 -5.997 1.00 0.00 C ATOM 0 H LEU A 34 -3.824 -4.291 -9.043 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.346 -2.936 -8.575 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.453 -2.060 -8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.850 -1.162 -7.687 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.949 -3.883 -6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.553 -2.692 -4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.563 -2.032 -5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.016 -1.160 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.765 -3.678 -5.048 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.317 -2.186 -5.846 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.392 -3.738 -6.712 1.00 0.00 H new ATOM 494 N GLY A 35 -4.232 -1.906 -10.904 1.00 0.00 N ATOM 495 CA GLY A 35 -4.152 -1.105 -12.112 1.00 0.00 C ATOM 496 C GLY A 35 -3.672 0.307 -11.840 1.00 0.00 C ATOM 497 O GLY A 35 -4.295 1.275 -12.277 1.00 0.00 O ATOM 0 H GLY A 35 -3.375 -2.404 -10.663 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.476 -1.586 -12.819 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.133 -1.067 -12.585 1.00 0.00 H new ATOM 501 N LEU A 36 -2.563 0.425 -11.118 1.00 0.00 N ATOM 502 CA LEU A 36 -2.000 1.730 -10.788 1.00 0.00 C ATOM 503 C LEU A 36 -0.504 1.767 -11.083 1.00 0.00 C ATOM 504 O LEU A 36 0.241 0.877 -10.674 1.00 0.00 O ATOM 505 CB LEU A 36 -2.250 2.059 -9.315 1.00 0.00 C ATOM 506 CG LEU A 36 -3.712 1.973 -8.872 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.809 1.423 -7.457 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.375 3.339 -8.960 1.00 0.00 C ATOM 0 H LEU A 36 -2.036 -0.367 -10.750 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.493 2.478 -11.409 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.660 1.379 -8.701 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.885 3.066 -9.116 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.236 1.291 -9.542 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.856 1.369 -7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.370 0.426 -7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.271 2.080 -6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.414 3.260 -8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.849 4.041 -8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.337 3.696 -9.989 1.00 0.00 H new ATOM 520 N THR A 37 -0.071 2.804 -11.794 1.00 0.00 N ATOM 521 CA THR A 37 1.336 2.957 -12.141 1.00 0.00 C ATOM 522 C THR A 37 2.076 3.754 -11.073 1.00 0.00 C ATOM 523 O THR A 37 2.251 4.966 -11.198 1.00 0.00 O ATOM 524 CB THR A 37 1.476 3.649 -13.497 1.00 0.00 C ATOM 525 OG1 THR A 37 0.589 3.082 -14.444 1.00 0.00 O ATOM 526 CG2 THR A 37 2.874 3.565 -14.072 1.00 0.00 C ATOM 0 H THR A 37 -0.675 3.550 -12.140 1.00 0.00 H new ATOM 0 HA THR A 37 1.780 1.963 -12.200 1.00 0.00 H new ATOM 0 HB THR A 37 1.239 4.697 -13.311 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.693 3.540 -15.304 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.903 4.076 -15.034 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.578 4.039 -13.388 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.149 2.519 -14.208 1.00 0.00 H new ATOM 534 N ILE A 38 2.508 3.066 -10.021 1.00 0.00 N ATOM 535 CA ILE A 38 3.229 3.710 -8.930 1.00 0.00 C ATOM 536 C ILE A 38 4.626 4.136 -9.369 1.00 0.00 C ATOM 537 O ILE A 38 5.145 3.655 -10.376 1.00 0.00 O ATOM 538 CB ILE A 38 3.350 2.779 -7.709 1.00 0.00 C ATOM 539 CG1 ILE A 38 3.992 1.450 -8.115 1.00 0.00 C ATOM 540 CG2 ILE A 38 1.984 2.544 -7.084 1.00 0.00 C ATOM 541 CD1 ILE A 38 4.760 0.783 -6.995 1.00 0.00 C ATOM 0 H ILE A 38 2.371 2.062 -9.901 1.00 0.00 H new ATOM 0 HA ILE A 38 2.654 4.592 -8.650 1.00 0.00 H new ATOM 0 HB ILE A 38 3.989 3.258 -6.968 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.214 0.772 -8.465 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.666 1.623 -8.954 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.087 1.884 -6.223 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.562 3.496 -6.763 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.323 2.083 -7.818 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.188 -0.153 -7.354 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.560 1.442 -6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.086 0.578 -6.163 1.00 0.00 H new ATOM 553 N ARG A 39 5.228 5.044 -8.609 1.00 0.00 N ATOM 554 CA ARG A 39 6.565 5.536 -8.919 1.00 0.00 C ATOM 555 C ARG A 39 7.353 5.814 -7.643 1.00 0.00 C ATOM 556 O ARG A 39 6.797 5.807 -6.545 1.00 0.00 O ATOM 557 CB ARG A 39 6.479 6.808 -9.766 1.00 0.00 C ATOM 558 CG ARG A 39 6.087 6.551 -11.212 1.00 0.00 C ATOM 559 CD ARG A 39 7.248 5.982 -12.011 1.00 0.00 C ATOM 560 NE ARG A 39 7.882 6.995 -12.852 1.00 0.00 N ATOM 561 CZ ARG A 39 9.033 6.810 -13.496 1.00 0.00 C ATOM 562 NH1 ARG A 39 9.677 5.654 -13.399 1.00 0.00 N ATOM 563 NH2 ARG A 39 9.540 7.783 -14.240 1.00 0.00 N ATOM 0 H ARG A 39 4.811 5.454 -7.773 1.00 0.00 H new ATOM 0 HA ARG A 39 7.086 4.764 -9.485 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.753 7.485 -9.316 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.444 7.315 -9.744 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.247 5.857 -11.245 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.750 7.481 -11.670 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.987 5.563 -11.328 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.891 5.163 -12.636 1.00 0.00 H new ATOM 0 HE ARG A 39 7.416 7.897 -12.952 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.291 4.901 -12.829 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.558 5.518 -13.894 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.049 8.673 -14.319 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.422 7.641 -14.733 1.00 0.00 H new ATOM 577 N GLY A 40 8.650 6.057 -7.796 1.00 0.00 N ATOM 578 CA GLY A 40 9.493 6.333 -6.647 1.00 0.00 C ATOM 579 C GLY A 40 9.778 5.091 -5.825 1.00 0.00 C ATOM 580 O GLY A 40 9.148 4.052 -6.020 1.00 0.00 O ATOM 0 H GLY A 40 9.133 6.068 -8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.435 6.764 -6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.010 7.079 -6.016 1.00 0.00 H new ATOM 584 N GLY A 41 10.729 5.200 -4.905 1.00 0.00 N ATOM 585 CA GLY A 41 11.079 4.070 -4.064 1.00 0.00 C ATOM 586 C GLY A 41 12.239 4.376 -3.135 1.00 0.00 C ATOM 587 O GLY A 41 12.899 5.405 -3.274 1.00 0.00 O ATOM 0 H GLY A 41 11.264 6.050 -4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.211 3.778 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.337 3.218 -4.694 1.00 0.00 H new ATOM 591 N ALA A 42 12.485 3.480 -2.185 1.00 0.00 N ATOM 592 CA ALA A 42 13.572 3.659 -1.230 1.00 0.00 C ATOM 593 C ALA A 42 14.918 3.744 -1.940 1.00 0.00 C ATOM 594 O ALA A 42 15.785 4.528 -1.554 1.00 0.00 O ATOM 595 CB ALA A 42 13.577 2.524 -0.218 1.00 0.00 C ATOM 0 H ALA A 42 11.947 2.623 -2.056 1.00 0.00 H new ATOM 0 HA ALA A 42 13.409 4.599 -0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.394 2.670 0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.629 2.512 0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.712 1.575 -0.737 1.00 0.00 H new ATOM 601 N GLU A 43 15.086 2.932 -2.978 1.00 0.00 N ATOM 602 CA GLU A 43 16.327 2.916 -3.741 1.00 0.00 C ATOM 603 C GLU A 43 16.548 4.247 -4.452 1.00 0.00 C ATOM 604 O GLU A 43 17.672 4.745 -4.524 1.00 0.00 O ATOM 605 CB GLU A 43 16.307 1.776 -4.763 1.00 0.00 C ATOM 606 CG GLU A 43 17.654 1.097 -4.943 1.00 0.00 C ATOM 607 CD GLU A 43 17.577 -0.124 -5.838 1.00 0.00 C ATOM 608 OE1 GLU A 43 16.707 -0.986 -5.592 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.385 -0.218 -6.785 1.00 0.00 O ATOM 0 H GLU A 43 14.378 2.277 -3.310 1.00 0.00 H new ATOM 0 HA GLU A 43 17.150 2.757 -3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.573 1.032 -4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.975 2.167 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.362 1.809 -5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 43 18.042 0.804 -3.968 1.00 0.00 H new ATOM 616 N TYR A 44 15.468 4.819 -4.976 1.00 0.00 N ATOM 617 CA TYR A 44 15.545 6.094 -5.681 1.00 0.00 C ATOM 618 C TYR A 44 15.333 7.270 -4.728 1.00 0.00 C ATOM 619 O TYR A 44 15.175 8.410 -5.164 1.00 0.00 O ATOM 620 CB TYR A 44 14.505 6.141 -6.803 1.00 0.00 C ATOM 621 CG TYR A 44 14.868 5.294 -8.001 1.00 0.00 C ATOM 622 CD1 TYR A 44 15.644 5.808 -9.031 1.00 0.00 C ATOM 623 CD2 TYR A 44 14.433 3.978 -8.102 1.00 0.00 C ATOM 624 CE1 TYR A 44 15.977 5.037 -10.129 1.00 0.00 C ATOM 625 CE2 TYR A 44 14.761 3.200 -9.196 1.00 0.00 C ATOM 626 CZ TYR A 44 15.533 3.734 -10.206 1.00 0.00 C ATOM 627 OH TYR A 44 15.862 2.962 -11.297 1.00 0.00 O ATOM 0 H TYR A 44 14.530 4.420 -4.926 1.00 0.00 H new ATOM 0 HA TYR A 44 16.544 6.179 -6.109 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.544 5.808 -6.411 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.377 7.174 -7.125 1.00 0.00 H new ATOM 0 HD1 TYR A 44 15.994 6.828 -8.973 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.829 3.556 -7.312 1.00 0.00 H new ATOM 0 HE1 TYR A 44 16.581 5.453 -10.922 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.414 2.179 -9.260 1.00 0.00 H new ATOM 0 HH TYR A 44 15.472 2.069 -11.195 1.00 0.00 H new ATOM 637 N GLY A 45 15.330 6.991 -3.425 1.00 0.00 N ATOM 638 CA GLY A 45 15.137 8.041 -2.442 1.00 0.00 C ATOM 639 C GLY A 45 13.864 8.832 -2.674 1.00 0.00 C ATOM 640 O GLY A 45 13.869 10.061 -2.609 1.00 0.00 O ATOM 0 H GLY A 45 15.458 6.057 -3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.109 7.600 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.991 8.718 -2.467 1.00 0.00 H new ATOM 644 N LEU A 46 12.771 8.126 -2.945 1.00 0.00 N ATOM 645 CA LEU A 46 11.485 8.771 -3.188 1.00 0.00 C ATOM 646 C LEU A 46 10.344 7.940 -2.613 1.00 0.00 C ATOM 647 O LEU A 46 10.501 6.749 -2.346 1.00 0.00 O ATOM 648 CB LEU A 46 11.273 8.984 -4.688 1.00 0.00 C ATOM 649 CG LEU A 46 10.106 9.905 -5.051 1.00 0.00 C ATOM 650 CD1 LEU A 46 10.268 11.260 -4.381 1.00 0.00 C ATOM 651 CD2 LEU A 46 10.004 10.063 -6.561 1.00 0.00 C ATOM 0 H LEU A 46 12.750 7.108 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 46 11.492 9.740 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.188 9.396 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.111 8.014 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 46 9.183 9.452 -4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.429 11.902 -4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.293 11.130 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.198 11.721 -4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.169 10.721 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.929 10.494 -6.945 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.841 9.087 -7.019 1.00 0.00 H new ATOM 663 N GLY A 47 9.192 8.577 -2.425 1.00 0.00 N ATOM 664 CA GLY A 47 8.039 7.880 -1.883 1.00 0.00 C ATOM 665 C GLY A 47 7.354 7.005 -2.914 1.00 0.00 C ATOM 666 O GLY A 47 7.959 6.621 -3.914 1.00 0.00 O ATOM 0 H GLY A 47 9.036 9.562 -2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.353 7.265 -1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.326 8.609 -1.498 1.00 0.00 H new ATOM 670 N ILE A 48 6.087 6.687 -2.668 1.00 0.00 N ATOM 671 CA ILE A 48 5.318 5.850 -3.580 1.00 0.00 C ATOM 672 C ILE A 48 4.110 6.601 -4.128 1.00 0.00 C ATOM 673 O ILE A 48 3.022 6.550 -3.555 1.00 0.00 O ATOM 674 CB ILE A 48 4.836 4.559 -2.890 1.00 0.00 C ATOM 675 CG1 ILE A 48 5.998 3.878 -2.164 1.00 0.00 C ATOM 676 CG2 ILE A 48 4.211 3.616 -3.906 1.00 0.00 C ATOM 677 CD1 ILE A 48 7.088 3.391 -3.094 1.00 0.00 C ATOM 0 H ILE A 48 5.572 6.997 -1.844 1.00 0.00 H new ATOM 0 HA ILE A 48 5.983 5.586 -4.402 1.00 0.00 H new ATOM 0 HB ILE A 48 4.076 4.820 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.428 4.578 -1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.614 3.033 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.876 2.709 -3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.359 4.104 -4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.949 3.358 -4.665 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.879 2.919 -2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.672 2.667 -3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.499 4.236 -3.647 1.00 0.00 H new ATOM 689 N TYR A 49 4.308 7.299 -5.242 1.00 0.00 N ATOM 690 CA TYR A 49 3.234 8.062 -5.868 1.00 0.00 C ATOM 691 C TYR A 49 2.409 7.178 -6.797 1.00 0.00 C ATOM 692 O TYR A 49 2.624 5.968 -6.872 1.00 0.00 O ATOM 693 CB TYR A 49 3.808 9.246 -6.648 1.00 0.00 C ATOM 694 CG TYR A 49 4.687 10.151 -5.815 1.00 0.00 C ATOM 695 CD1 TYR A 49 4.149 10.932 -4.800 1.00 0.00 C ATOM 696 CD2 TYR A 49 6.056 10.225 -6.045 1.00 0.00 C ATOM 697 CE1 TYR A 49 4.950 11.761 -4.037 1.00 0.00 C ATOM 698 CE2 TYR A 49 6.862 11.051 -5.286 1.00 0.00 C ATOM 699 CZ TYR A 49 6.305 11.816 -4.284 1.00 0.00 C ATOM 700 OH TYR A 49 7.105 12.641 -3.526 1.00 0.00 O ATOM 0 H TYR A 49 5.202 7.352 -5.730 1.00 0.00 H new ATOM 0 HA TYR A 49 2.582 8.438 -5.079 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.386 8.869 -7.492 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.986 9.831 -7.061 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.088 10.891 -4.604 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.496 9.627 -6.829 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.516 12.362 -3.252 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.924 11.097 -5.477 1.00 0.00 H new ATOM 0 HH TYR A 49 6.723 12.732 -2.628 1.00 0.00 H new ATOM 710 N ILE A 50 1.463 7.789 -7.503 1.00 0.00 N ATOM 711 CA ILE A 50 0.605 7.058 -8.427 1.00 0.00 C ATOM 712 C ILE A 50 0.284 7.896 -9.659 1.00 0.00 C ATOM 713 O ILE A 50 -0.529 8.817 -9.602 1.00 0.00 O ATOM 714 CB ILE A 50 -0.714 6.633 -7.754 1.00 0.00 C ATOM 715 CG1 ILE A 50 -0.433 5.963 -6.408 1.00 0.00 C ATOM 716 CG2 ILE A 50 -1.496 5.697 -8.665 1.00 0.00 C ATOM 717 CD1 ILE A 50 -1.685 5.612 -5.634 1.00 0.00 C ATOM 0 H ILE A 50 1.272 8.790 -7.452 1.00 0.00 H new ATOM 0 HA ILE A 50 1.155 6.166 -8.729 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.317 7.523 -7.576 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.146 5.055 -6.577 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.184 6.627 -5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.425 5.405 -8.176 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.723 6.207 -9.601 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.900 4.808 -8.871 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.409 5.141 -4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.255 6.519 -5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.294 4.923 -6.220 1.00 0.00 H new ATOM 729 N THR A 51 0.931 7.570 -10.775 1.00 0.00 N ATOM 730 CA THR A 51 0.714 8.294 -12.023 1.00 0.00 C ATOM 731 C THR A 51 0.180 7.360 -13.106 1.00 0.00 C ATOM 732 O THR A 51 0.658 7.369 -14.240 1.00 0.00 O ATOM 733 CB THR A 51 2.016 8.946 -12.490 1.00 0.00 C ATOM 734 OG1 THR A 51 1.831 9.605 -13.730 1.00 0.00 O ATOM 735 CG2 THR A 51 3.153 7.961 -12.659 1.00 0.00 C ATOM 0 H THR A 51 1.609 6.810 -10.840 1.00 0.00 H new ATOM 0 HA THR A 51 -0.028 9.072 -11.841 1.00 0.00 H new ATOM 0 HB THR A 51 2.282 9.652 -11.703 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.502 8.965 -14.395 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.046 8.490 -12.992 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.355 7.472 -11.706 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.878 7.211 -13.401 1.00 0.00 H new ATOM 743 N GLY A 52 -0.818 6.557 -12.747 1.00 0.00 N ATOM 744 CA GLY A 52 -1.401 5.631 -13.700 1.00 0.00 C ATOM 745 C GLY A 52 -2.668 4.982 -13.177 1.00 0.00 C ATOM 746 O GLY A 52 -2.756 4.637 -11.998 1.00 0.00 O ATOM 0 H GLY A 52 -1.232 6.532 -11.815 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.623 6.160 -14.627 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.673 4.857 -13.942 1.00 0.00 H new ATOM 750 N VAL A 53 -3.651 4.815 -14.056 1.00 0.00 N ATOM 751 CA VAL A 53 -4.919 4.204 -13.679 1.00 0.00 C ATOM 752 C VAL A 53 -5.569 3.511 -14.870 1.00 0.00 C ATOM 753 O VAL A 53 -6.057 4.166 -15.793 1.00 0.00 O ATOM 754 CB VAL A 53 -5.899 5.247 -13.108 1.00 0.00 C ATOM 755 CG1 VAL A 53 -7.134 4.566 -12.539 1.00 0.00 C ATOM 756 CG2 VAL A 53 -5.215 6.100 -12.050 1.00 0.00 C ATOM 0 H VAL A 53 -3.593 5.095 -15.035 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.698 3.466 -12.908 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.217 5.902 -13.919 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.814 5.319 -12.141 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.636 4.005 -13.327 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.839 3.885 -11.741 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.923 6.831 -11.658 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.866 5.462 -11.238 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.366 6.619 -12.494 1.00 0.00 H new ATOM 766 N ASP A 54 -5.573 2.183 -14.847 1.00 0.00 N ATOM 767 CA ASP A 54 -6.162 1.400 -15.928 1.00 0.00 C ATOM 768 C ASP A 54 -7.663 1.672 -16.040 1.00 0.00 C ATOM 769 O ASP A 54 -8.368 1.717 -15.032 1.00 0.00 O ATOM 770 CB ASP A 54 -5.919 -0.091 -15.695 1.00 0.00 C ATOM 771 CG ASP A 54 -4.599 -0.559 -16.275 1.00 0.00 C ATOM 772 OD1 ASP A 54 -3.653 0.254 -16.330 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.511 -1.740 -16.675 1.00 0.00 O ATOM 0 H ASP A 54 -5.175 1.625 -14.091 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.685 1.697 -16.862 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.935 -0.296 -14.625 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.732 -0.663 -16.142 1.00 0.00 H new ATOM 778 N PRO A 55 -8.174 1.857 -17.271 1.00 0.00 N ATOM 779 CA PRO A 55 -9.596 2.122 -17.500 1.00 0.00 C ATOM 780 C PRO A 55 -10.454 0.874 -17.328 1.00 0.00 C ATOM 781 O PRO A 55 -10.619 0.088 -18.261 1.00 0.00 O ATOM 782 CB PRO A 55 -9.632 2.599 -18.952 1.00 0.00 C ATOM 783 CG PRO A 55 -8.469 1.928 -19.595 1.00 0.00 C ATOM 784 CD PRO A 55 -7.408 1.820 -18.533 1.00 0.00 C ATOM 0 HA PRO A 55 -9.999 2.842 -16.787 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.568 2.322 -19.437 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.549 3.684 -19.015 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.746 0.943 -19.970 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.109 2.504 -20.448 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.838 0.896 -18.629 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.695 2.642 -18.593 1.00 0.00 H new ATOM 792 N GLY A 56 -10.998 0.696 -16.128 1.00 0.00 N ATOM 793 CA GLY A 56 -11.832 -0.460 -15.855 1.00 0.00 C ATOM 794 C GLY A 56 -11.179 -1.433 -14.894 1.00 0.00 C ATOM 795 O GLY A 56 -11.135 -2.636 -15.151 1.00 0.00 O ATOM 0 H GLY A 56 -10.876 1.332 -15.340 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.783 -0.128 -15.440 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.054 -0.973 -16.791 1.00 0.00 H new ATOM 799 N SER A 57 -10.671 -0.912 -13.781 1.00 0.00 N ATOM 800 CA SER A 57 -10.015 -1.742 -12.777 1.00 0.00 C ATOM 801 C SER A 57 -10.644 -1.531 -11.403 1.00 0.00 C ATOM 802 O SER A 57 -11.642 -0.824 -11.269 1.00 0.00 O ATOM 803 CB SER A 57 -8.520 -1.428 -12.721 1.00 0.00 C ATOM 804 OG SER A 57 -8.023 -1.082 -14.002 1.00 0.00 O ATOM 0 H SER A 57 -10.701 0.081 -13.552 1.00 0.00 H new ATOM 0 HA SER A 57 -10.148 -2.786 -13.061 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.343 -0.608 -12.025 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.978 -2.293 -12.339 1.00 0.00 H new ATOM 0 HG SER A 57 -8.218 -0.139 -14.185 1.00 0.00 H new ATOM 810 N GLU A 58 -10.052 -2.149 -10.387 1.00 0.00 N ATOM 811 CA GLU A 58 -10.554 -2.028 -9.023 1.00 0.00 C ATOM 812 C GLU A 58 -10.203 -0.665 -8.433 1.00 0.00 C ATOM 813 O GLU A 58 -10.968 -0.099 -7.653 1.00 0.00 O ATOM 814 CB GLU A 58 -9.978 -3.140 -8.144 1.00 0.00 C ATOM 815 CG GLU A 58 -10.839 -4.392 -8.107 1.00 0.00 C ATOM 816 CD GLU A 58 -11.644 -4.507 -6.827 1.00 0.00 C ATOM 817 OE1 GLU A 58 -12.759 -3.947 -6.775 1.00 0.00 O ATOM 818 OE2 GLU A 58 -11.160 -5.158 -5.878 1.00 0.00 O ATOM 0 H GLU A 58 -9.225 -2.738 -10.482 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.639 -2.123 -9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.985 -3.402 -8.508 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.856 -2.763 -7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.518 -4.387 -8.960 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.202 -5.270 -8.212 1.00 0.00 H new ATOM 825 N ALA A 59 -9.040 -0.145 -8.812 1.00 0.00 N ATOM 826 CA ALA A 59 -8.588 1.152 -8.322 1.00 0.00 C ATOM 827 C ALA A 59 -9.410 2.285 -8.928 1.00 0.00 C ATOM 828 O ALA A 59 -9.775 3.237 -8.238 1.00 0.00 O ATOM 829 CB ALA A 59 -7.111 1.346 -8.631 1.00 0.00 C ATOM 0 H ALA A 59 -8.394 -0.601 -9.456 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.729 1.174 -7.241 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.786 2.318 -8.260 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.532 0.560 -8.146 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.955 1.299 -9.709 1.00 0.00 H new ATOM 835 N GLU A 60 -9.697 2.174 -10.220 1.00 0.00 N ATOM 836 CA GLU A 60 -10.476 3.189 -10.919 1.00 0.00 C ATOM 837 C GLU A 60 -11.899 3.255 -10.374 1.00 0.00 C ATOM 838 O GLU A 60 -12.523 4.315 -10.366 1.00 0.00 O ATOM 839 CB GLU A 60 -10.507 2.894 -12.421 1.00 0.00 C ATOM 840 CG GLU A 60 -10.480 4.143 -13.286 1.00 0.00 C ATOM 841 CD GLU A 60 -11.853 4.517 -13.811 1.00 0.00 C ATOM 842 OE1 GLU A 60 -12.522 3.643 -14.400 1.00 0.00 O ATOM 843 OE2 GLU A 60 -12.259 5.686 -13.633 1.00 0.00 O ATOM 0 H GLU A 60 -9.402 1.392 -10.804 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.998 4.154 -10.754 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.654 2.266 -12.677 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.405 2.321 -12.652 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.078 4.974 -12.706 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.804 3.984 -14.126 1.00 0.00 H new ATOM 850 N GLY A 61 -12.406 2.113 -9.920 1.00 0.00 N ATOM 851 CA GLY A 61 -13.752 2.063 -9.379 1.00 0.00 C ATOM 852 C GLY A 61 -13.810 2.482 -7.923 1.00 0.00 C ATOM 853 O GLY A 61 -14.785 3.090 -7.483 1.00 0.00 O ATOM 0 H GLY A 61 -11.909 1.222 -9.917 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.400 2.713 -9.967 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.142 1.050 -9.478 1.00 0.00 H new ATOM 857 N SER A 62 -12.762 2.155 -7.173 1.00 0.00 N ATOM 858 CA SER A 62 -12.697 2.501 -5.758 1.00 0.00 C ATOM 859 C SER A 62 -12.733 4.014 -5.565 1.00 0.00 C ATOM 860 O SER A 62 -13.719 4.565 -5.076 1.00 0.00 O ATOM 861 CB SER A 62 -11.427 1.925 -5.128 1.00 0.00 C ATOM 862 OG SER A 62 -10.267 2.424 -5.771 1.00 0.00 O ATOM 0 H SER A 62 -11.947 1.651 -7.522 1.00 0.00 H new ATOM 0 HA SER A 62 -13.567 2.069 -5.264 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.396 2.178 -4.068 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.445 0.837 -5.196 1.00 0.00 H new ATOM 0 HG SER A 62 -10.445 2.532 -6.729 1.00 0.00 H new ATOM 868 N GLY A 63 -11.651 4.680 -5.954 1.00 0.00 N ATOM 869 CA GLY A 63 -11.578 6.123 -5.816 1.00 0.00 C ATOM 870 C GLY A 63 -10.152 6.637 -5.824 1.00 0.00 C ATOM 871 O GLY A 63 -9.793 7.501 -5.024 1.00 0.00 O ATOM 0 H GLY A 63 -10.823 4.246 -6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.134 6.591 -6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.063 6.421 -4.886 1.00 0.00 H new ATOM 875 N LEU A 64 -9.338 6.104 -6.729 1.00 0.00 N ATOM 876 CA LEU A 64 -7.942 6.514 -6.837 1.00 0.00 C ATOM 877 C LEU A 64 -7.727 7.386 -8.071 1.00 0.00 C ATOM 878 O LEU A 64 -8.423 7.241 -9.075 1.00 0.00 O ATOM 879 CB LEU A 64 -7.032 5.285 -6.898 1.00 0.00 C ATOM 880 CG LEU A 64 -6.434 4.855 -5.557 1.00 0.00 C ATOM 881 CD1 LEU A 64 -5.835 3.462 -5.661 1.00 0.00 C ATOM 882 CD2 LEU A 64 -5.383 5.856 -5.099 1.00 0.00 C ATOM 0 H LEU A 64 -9.620 5.388 -7.398 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.689 7.099 -5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.601 4.451 -7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.218 5.489 -7.593 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.233 4.829 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.415 3.174 -4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.612 2.752 -5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.048 3.460 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.967 5.536 -4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.586 5.912 -5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.842 6.838 -4.984 1.00 0.00 H new ATOM 894 N LYS A 65 -6.757 8.290 -7.987 1.00 0.00 N ATOM 895 CA LYS A 65 -6.450 9.185 -9.097 1.00 0.00 C ATOM 896 C LYS A 65 -4.942 9.324 -9.285 1.00 0.00 C ATOM 897 O LYS A 65 -4.158 8.695 -8.576 1.00 0.00 O ATOM 898 CB LYS A 65 -7.073 10.562 -8.860 1.00 0.00 C ATOM 899 CG LYS A 65 -6.831 11.108 -7.461 1.00 0.00 C ATOM 900 CD LYS A 65 -5.657 12.074 -7.436 1.00 0.00 C ATOM 901 CE LYS A 65 -6.000 13.385 -8.126 1.00 0.00 C ATOM 902 NZ LYS A 65 -4.940 14.411 -7.927 1.00 0.00 N ATOM 0 H LYS A 65 -6.170 8.422 -7.163 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.874 8.753 -10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.670 11.264 -9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.147 10.501 -9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.729 11.615 -7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.639 10.283 -6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.367 12.270 -6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.798 11.617 -7.927 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.139 13.208 -9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.947 13.762 -7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.249 15.314 -8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.765 14.537 -6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.064 14.100 -8.393 1.00 0.00 H new ATOM 916 N VAL A 66 -4.547 10.152 -10.246 1.00 0.00 N ATOM 917 CA VAL A 66 -3.134 10.375 -10.528 1.00 0.00 C ATOM 918 C VAL A 66 -2.569 11.491 -9.656 1.00 0.00 C ATOM 919 O VAL A 66 -3.203 12.531 -9.474 1.00 0.00 O ATOM 920 CB VAL A 66 -2.905 10.732 -12.009 1.00 0.00 C ATOM 921 CG1 VAL A 66 -3.218 9.542 -12.900 1.00 0.00 C ATOM 922 CG2 VAL A 66 -3.745 11.938 -12.403 1.00 0.00 C ATOM 0 H VAL A 66 -5.185 10.679 -10.842 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.616 9.443 -10.302 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.854 10.990 -12.143 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.050 9.814 -13.942 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.569 8.707 -12.634 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.259 9.250 -12.764 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.570 12.176 -13.452 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.800 11.711 -12.253 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.467 12.792 -11.786 1.00 0.00 H new ATOM 932 N GLY A 67 -1.375 11.268 -9.119 1.00 0.00 N ATOM 933 CA GLY A 67 -0.744 12.265 -8.272 1.00 0.00 C ATOM 934 C GLY A 67 -1.011 12.027 -6.798 1.00 0.00 C ATOM 935 O GLY A 67 -0.943 12.954 -5.991 1.00 0.00 O ATOM 0 H GLY A 67 -0.832 10.415 -9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.332 12.259 -8.449 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.107 13.255 -8.549 1.00 0.00 H new ATOM 939 N ASP A 68 -1.314 10.781 -6.445 1.00 0.00 N ATOM 940 CA ASP A 68 -1.591 10.428 -5.057 1.00 0.00 C ATOM 941 C ASP A 68 -0.327 9.931 -4.363 1.00 0.00 C ATOM 942 O ASP A 68 0.575 9.393 -5.004 1.00 0.00 O ATOM 943 CB ASP A 68 -2.682 9.356 -4.990 1.00 0.00 C ATOM 944 CG ASP A 68 -3.787 9.718 -4.017 1.00 0.00 C ATOM 945 OD1 ASP A 68 -3.507 10.454 -3.047 1.00 0.00 O ATOM 946 OD2 ASP A 68 -4.933 9.267 -4.225 1.00 0.00 O ATOM 0 H ASP A 68 -1.374 10.001 -7.099 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.940 11.322 -4.541 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.108 9.212 -5.983 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.237 8.406 -4.694 1.00 0.00 H new ATOM 951 N GLN A 69 -0.267 10.116 -3.048 1.00 0.00 N ATOM 952 CA GLN A 69 0.887 9.688 -2.268 1.00 0.00 C ATOM 953 C GLN A 69 0.508 8.572 -1.298 1.00 0.00 C ATOM 954 O GLN A 69 -0.090 8.821 -0.252 1.00 0.00 O ATOM 955 CB GLN A 69 1.476 10.870 -1.497 1.00 0.00 C ATOM 956 CG GLN A 69 2.988 10.811 -1.353 1.00 0.00 C ATOM 957 CD GLN A 69 3.428 10.397 0.038 1.00 0.00 C ATOM 958 OE1 GLN A 69 2.606 10.255 0.945 1.00 0.00 O ATOM 959 NE2 GLN A 69 4.729 10.203 0.214 1.00 0.00 N ATOM 0 H GLN A 69 -1.005 10.560 -2.501 1.00 0.00 H new ATOM 0 HA GLN A 69 1.637 9.304 -2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.204 11.796 -2.004 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.026 10.906 -0.505 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.391 10.107 -2.081 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.410 11.789 -1.587 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.374 10.332 -0.566 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.084 9.925 1.129 1.00 0.00 H new ATOM 968 N ILE A 70 0.861 7.341 -1.654 1.00 0.00 N ATOM 969 CA ILE A 70 0.560 6.188 -0.814 1.00 0.00 C ATOM 970 C ILE A 70 1.329 6.252 0.501 1.00 0.00 C ATOM 971 O ILE A 70 2.537 6.483 0.514 1.00 0.00 O ATOM 972 CB ILE A 70 0.899 4.865 -1.531 1.00 0.00 C ATOM 973 CG1 ILE A 70 0.259 4.832 -2.920 1.00 0.00 C ATOM 974 CG2 ILE A 70 0.434 3.677 -0.700 1.00 0.00 C ATOM 975 CD1 ILE A 70 0.548 3.560 -3.688 1.00 0.00 C ATOM 0 H ILE A 70 1.355 7.117 -2.518 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.510 6.217 -0.609 1.00 0.00 H new ATOM 0 HB ILE A 70 1.981 4.801 -1.649 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.820 4.948 -2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.617 5.685 -3.497 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.680 2.751 -1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.933 3.693 0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.645 3.735 -0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.063 3.606 -4.663 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.624 3.453 -3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.165 2.704 -3.132 1.00 0.00 H new ATOM 987 N LEU A 71 0.619 6.047 1.606 1.00 0.00 N ATOM 988 CA LEU A 71 1.236 6.082 2.927 1.00 0.00 C ATOM 989 C LEU A 71 1.598 4.678 3.398 1.00 0.00 C ATOM 990 O LEU A 71 2.772 4.356 3.577 1.00 0.00 O ATOM 991 CB LEU A 71 0.293 6.743 3.935 1.00 0.00 C ATOM 992 CG LEU A 71 -0.208 8.133 3.538 1.00 0.00 C ATOM 993 CD1 LEU A 71 -1.174 8.669 4.583 1.00 0.00 C ATOM 994 CD2 LEU A 71 0.962 9.087 3.351 1.00 0.00 C ATOM 0 H LEU A 71 -0.383 5.855 1.613 1.00 0.00 H new ATOM 0 HA LEU A 71 2.152 6.668 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.568 6.092 4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.806 6.818 4.894 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.739 8.051 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.520 9.658 4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.027 7.996 4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.668 8.737 5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.588 10.071 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.521 9.165 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.617 8.709 2.566 1.00 0.00 H new ATOM 1006 N GLU A 72 0.581 3.844 3.596 1.00 0.00 N ATOM 1007 CA GLU A 72 0.792 2.474 4.045 1.00 0.00 C ATOM 1008 C GLU A 72 -0.251 1.537 3.448 1.00 0.00 C ATOM 1009 O GLU A 72 -1.313 1.975 3.005 1.00 0.00 O ATOM 1010 CB GLU A 72 0.744 2.404 5.573 1.00 0.00 C ATOM 1011 CG GLU A 72 -0.591 2.831 6.160 1.00 0.00 C ATOM 1012 CD GLU A 72 -0.502 4.140 6.920 1.00 0.00 C ATOM 1013 OE1 GLU A 72 0.434 4.292 7.733 1.00 0.00 O ATOM 1014 OE2 GLU A 72 -1.368 5.014 6.701 1.00 0.00 O ATOM 0 H GLU A 72 -0.397 4.094 3.452 1.00 0.00 H new ATOM 0 HA GLU A 72 1.776 2.154 3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.960 1.383 5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.531 3.038 5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.322 2.930 5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.956 2.051 6.828 1.00 0.00 H new ATOM 1021 N VAL A 73 0.058 0.245 3.439 1.00 0.00 N ATOM 1022 CA VAL A 73 -0.853 -0.756 2.896 1.00 0.00 C ATOM 1023 C VAL A 73 -0.808 -2.040 3.716 1.00 0.00 C ATOM 1024 O VAL A 73 0.255 -2.630 3.907 1.00 0.00 O ATOM 1025 CB VAL A 73 -0.518 -1.086 1.430 1.00 0.00 C ATOM 1026 CG1 VAL A 73 -1.601 -1.961 0.818 1.00 0.00 C ATOM 1027 CG2 VAL A 73 -0.336 0.191 0.623 1.00 0.00 C ATOM 0 H VAL A 73 0.933 -0.134 3.802 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.855 -0.330 2.944 1.00 0.00 H new ATOM 0 HB VAL A 73 0.420 -1.640 1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.347 -2.184 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.678 -2.891 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.556 -1.436 0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.100 -0.062 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.256 0.774 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.479 0.777 1.048 1.00 0.00 H new ATOM 1037 N ASN A 74 -1.970 -2.468 4.202 1.00 0.00 N ATOM 1038 CA ASN A 74 -2.063 -3.682 5.003 1.00 0.00 C ATOM 1039 C ASN A 74 -1.227 -3.561 6.274 1.00 0.00 C ATOM 1040 O ASN A 74 -0.706 -4.553 6.783 1.00 0.00 O ATOM 1041 CB ASN A 74 -1.602 -4.892 4.188 1.00 0.00 C ATOM 1042 CG ASN A 74 -2.747 -5.569 3.461 1.00 0.00 C ATOM 1043 OD1 ASN A 74 -3.670 -6.093 4.084 1.00 0.00 O ATOM 1044 ND2 ASN A 74 -2.693 -5.560 2.134 1.00 0.00 N ATOM 0 H ASN A 74 -2.860 -1.991 4.054 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.106 -3.821 5.288 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.852 -4.574 3.463 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.120 -5.611 4.851 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.436 -5.999 1.590 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.909 -5.114 1.659 1.00 0.00 H new ATOM 1051 N GLY A 75 -1.104 -2.338 6.780 1.00 0.00 N ATOM 1052 CA GLY A 75 -0.331 -2.109 7.986 1.00 0.00 C ATOM 1053 C GLY A 75 1.164 -2.139 7.732 1.00 0.00 C ATOM 1054 O GLY A 75 1.943 -2.501 8.613 1.00 0.00 O ATOM 0 H GLY A 75 -1.526 -1.502 6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.605 -1.143 8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.586 -2.867 8.726 1.00 0.00 H new ATOM 1058 N ARG A 76 1.564 -1.758 6.523 1.00 0.00 N ATOM 1059 CA ARG A 76 2.975 -1.742 6.154 1.00 0.00 C ATOM 1060 C ARG A 76 3.389 -0.366 5.643 1.00 0.00 C ATOM 1061 O ARG A 76 2.640 0.287 4.916 1.00 0.00 O ATOM 1062 CB ARG A 76 3.255 -2.801 5.086 1.00 0.00 C ATOM 1063 CG ARG A 76 4.724 -2.907 4.707 1.00 0.00 C ATOM 1064 CD ARG A 76 5.122 -4.345 4.417 1.00 0.00 C ATOM 1065 NE ARG A 76 6.483 -4.636 4.859 1.00 0.00 N ATOM 1066 CZ ARG A 76 6.868 -4.625 6.133 1.00 0.00 C ATOM 1067 NH1 ARG A 76 5.997 -4.339 7.094 1.00 0.00 N ATOM 1068 NH2 ARG A 76 8.126 -4.901 6.449 1.00 0.00 N ATOM 0 H ARG A 76 0.931 -1.456 5.782 1.00 0.00 H new ATOM 0 HA ARG A 76 3.561 -1.969 7.045 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.910 -3.770 5.447 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.674 -2.568 4.194 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.920 -2.290 3.830 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.339 -2.514 5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.427 -5.021 4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.040 -4.535 3.347 1.00 0.00 H new ATOM 0 HE ARG A 76 7.180 -4.861 4.149 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.028 -4.126 6.857 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.297 -4.332 8.069 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.799 -5.122 5.715 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.420 -4.892 7.426 1.00 0.00 H new ATOM 1082 N SER A 77 4.585 0.068 6.027 1.00 0.00 N ATOM 1083 CA SER A 77 5.098 1.367 5.608 1.00 0.00 C ATOM 1084 C SER A 77 5.449 1.359 4.124 1.00 0.00 C ATOM 1085 O SER A 77 6.323 0.610 3.687 1.00 0.00 O ATOM 1086 CB SER A 77 6.329 1.743 6.434 1.00 0.00 C ATOM 1087 OG SER A 77 6.941 2.918 5.932 1.00 0.00 O ATOM 0 H SER A 77 5.217 -0.461 6.628 1.00 0.00 H new ATOM 0 HA SER A 77 4.318 2.110 5.774 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.040 1.896 7.474 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.045 0.922 6.419 1.00 0.00 H new ATOM 0 HG SER A 77 7.898 2.757 5.799 1.00 0.00 H new ATOM 1093 N PHE A 78 4.763 2.198 3.354 1.00 0.00 N ATOM 1094 CA PHE A 78 5.003 2.289 1.918 1.00 0.00 C ATOM 1095 C PHE A 78 5.728 3.584 1.569 1.00 0.00 C ATOM 1096 O PHE A 78 5.488 4.179 0.518 1.00 0.00 O ATOM 1097 CB PHE A 78 3.680 2.206 1.154 1.00 0.00 C ATOM 1098 CG PHE A 78 3.325 0.813 0.718 1.00 0.00 C ATOM 1099 CD1 PHE A 78 3.227 -0.214 1.643 1.00 0.00 C ATOM 1100 CD2 PHE A 78 3.090 0.530 -0.618 1.00 0.00 C ATOM 1101 CE1 PHE A 78 2.900 -1.496 1.245 1.00 0.00 C ATOM 1102 CE2 PHE A 78 2.763 -0.750 -1.023 1.00 0.00 C ATOM 1103 CZ PHE A 78 2.668 -1.764 -0.090 1.00 0.00 C ATOM 0 H PHE A 78 4.037 2.825 3.700 1.00 0.00 H new ATOM 0 HA PHE A 78 5.636 1.451 1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.881 2.595 1.785 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.736 2.850 0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.408 -0.010 2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.163 1.319 -1.351 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.826 -2.287 1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.582 -0.957 -2.067 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.413 -2.765 -0.404 1.00 0.00 H new ATOM 1113 N LEU A 79 6.617 4.017 2.457 1.00 0.00 N ATOM 1114 CA LEU A 79 7.378 5.242 2.242 1.00 0.00 C ATOM 1115 C LEU A 79 8.842 4.931 1.946 1.00 0.00 C ATOM 1116 O LEU A 79 9.436 5.501 1.032 1.00 0.00 O ATOM 1117 CB LEU A 79 7.275 6.152 3.467 1.00 0.00 C ATOM 1118 CG LEU A 79 5.850 6.523 3.881 1.00 0.00 C ATOM 1119 CD1 LEU A 79 5.815 6.972 5.334 1.00 0.00 C ATOM 1120 CD2 LEU A 79 5.299 7.612 2.971 1.00 0.00 C ATOM 0 H LEU A 79 6.828 3.538 3.332 1.00 0.00 H new ATOM 0 HA LEU A 79 6.954 5.756 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.765 5.661 4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.829 7.069 3.267 1.00 0.00 H new ATOM 0 HG LEU A 79 5.221 5.639 3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.793 7.232 5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.169 6.163 5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.458 7.843 5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.284 7.865 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.930 8.498 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.287 7.254 1.941 1.00 0.00 H new ATOM 1132 N ASN A 80 9.417 4.022 2.727 1.00 0.00 N ATOM 1133 CA ASN A 80 10.811 3.634 2.548 1.00 0.00 C ATOM 1134 C ASN A 80 10.916 2.206 2.022 1.00 0.00 C ATOM 1135 O ASN A 80 11.825 1.462 2.389 1.00 0.00 O ATOM 1136 CB ASN A 80 11.570 3.758 3.871 1.00 0.00 C ATOM 1137 CG ASN A 80 11.005 2.855 4.949 1.00 0.00 C ATOM 1138 OD1 ASN A 80 9.832 2.956 5.308 1.00 0.00 O ATOM 1139 ND2 ASN A 80 11.839 1.964 5.473 1.00 0.00 N ATOM 0 H ASN A 80 8.939 3.541 3.489 1.00 0.00 H new ATOM 0 HA ASN A 80 11.257 4.306 1.815 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.620 3.513 3.709 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.534 4.793 4.212 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.515 1.329 6.203 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.804 1.914 5.146 1.00 0.00 H new ATOM 1146 N ILE A 81 9.980 1.831 1.156 1.00 0.00 N ATOM 1147 CA ILE A 81 9.966 0.493 0.579 1.00 0.00 C ATOM 1148 C ILE A 81 10.474 0.511 -0.861 1.00 0.00 C ATOM 1149 O ILE A 81 10.378 1.528 -1.550 1.00 0.00 O ATOM 1150 CB ILE A 81 8.551 -0.119 0.610 1.00 0.00 C ATOM 1151 CG1 ILE A 81 8.578 -1.560 0.096 1.00 0.00 C ATOM 1152 CG2 ILE A 81 7.587 0.725 -0.213 1.00 0.00 C ATOM 1153 CD1 ILE A 81 7.445 -2.412 0.626 1.00 0.00 C ATOM 0 H ILE A 81 9.222 2.435 0.839 1.00 0.00 H new ATOM 0 HA ILE A 81 10.630 -0.122 1.187 1.00 0.00 H new ATOM 0 HB ILE A 81 8.203 -0.130 1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.535 -1.550 -0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.527 -2.018 0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.593 0.278 -0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.545 1.734 0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.932 0.768 -1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.527 -3.420 0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.499 -2.453 1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.492 -1.977 0.326 1.00 0.00 H new ATOM 1165 N LEU A 82 11.013 -0.618 -1.307 1.00 0.00 N ATOM 1166 CA LEU A 82 11.537 -0.731 -2.663 1.00 0.00 C ATOM 1167 C LEU A 82 10.434 -0.505 -3.692 1.00 0.00 C ATOM 1168 O LEU A 82 9.267 -0.809 -3.443 1.00 0.00 O ATOM 1169 CB LEU A 82 12.172 -2.107 -2.875 1.00 0.00 C ATOM 1170 CG LEU A 82 13.591 -2.257 -2.320 1.00 0.00 C ATOM 1171 CD1 LEU A 82 13.808 -3.662 -1.783 1.00 0.00 C ATOM 1172 CD2 LEU A 82 14.617 -1.929 -3.393 1.00 0.00 C ATOM 0 H LEU A 82 11.099 -1.468 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 82 12.299 0.037 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.535 -2.860 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.191 -2.321 -3.944 1.00 0.00 H new ATOM 0 HG LEU A 82 13.717 -1.554 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.822 -3.750 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.093 -3.861 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.665 -4.385 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.621 -2.040 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.492 -2.609 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.475 -0.902 -3.731 1.00 0.00 H new ATOM 1184 N HIS A 83 10.811 0.030 -4.849 1.00 0.00 N ATOM 1185 CA HIS A 83 9.853 0.295 -5.916 1.00 0.00 C ATOM 1186 C HIS A 83 9.273 -1.004 -6.464 1.00 0.00 C ATOM 1187 O HIS A 83 8.063 -1.123 -6.657 1.00 0.00 O ATOM 1188 CB HIS A 83 10.519 1.087 -7.043 1.00 0.00 C ATOM 1189 CG HIS A 83 9.556 1.578 -8.080 1.00 0.00 C ATOM 1190 ND1 HIS A 83 8.273 1.983 -7.782 1.00 0.00 N ATOM 1191 CD2 HIS A 83 9.696 1.727 -9.418 1.00 0.00 C ATOM 1192 CE1 HIS A 83 7.664 2.361 -8.892 1.00 0.00 C ATOM 1193 NE2 HIS A 83 8.506 2.216 -9.898 1.00 0.00 N ATOM 0 H HIS A 83 11.772 0.288 -5.071 1.00 0.00 H new ATOM 0 HA HIS A 83 9.038 0.886 -5.499 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.045 1.940 -6.615 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.269 0.459 -7.524 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.578 1.503 -9.999 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.650 2.726 -8.964 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.305 2.432 -10.874 1.00 0.00 H new ATOM 1202 N ASP A 84 10.145 -1.976 -6.713 1.00 0.00 N ATOM 1203 CA ASP A 84 9.720 -3.268 -7.239 1.00 0.00 C ATOM 1204 C ASP A 84 8.833 -3.999 -6.235 1.00 0.00 C ATOM 1205 O ASP A 84 7.894 -4.698 -6.615 1.00 0.00 O ATOM 1206 CB ASP A 84 10.940 -4.128 -7.585 1.00 0.00 C ATOM 1207 CG ASP A 84 11.031 -4.431 -9.068 1.00 0.00 C ATOM 1208 OD1 ASP A 84 11.332 -3.501 -9.846 1.00 0.00 O ATOM 1209 OD2 ASP A 84 10.801 -5.597 -9.451 1.00 0.00 O ATOM 0 H ASP A 84 11.150 -1.893 -6.559 1.00 0.00 H new ATOM 0 HA ASP A 84 9.141 -3.092 -8.145 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.846 -3.613 -7.266 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.892 -5.064 -7.028 1.00 0.00 H new ATOM 1214 N GLU A 85 9.138 -3.831 -4.952 1.00 0.00 N ATOM 1215 CA GLU A 85 8.367 -4.476 -3.894 1.00 0.00 C ATOM 1216 C GLU A 85 6.941 -3.936 -3.854 1.00 0.00 C ATOM 1217 O GLU A 85 5.987 -4.689 -3.657 1.00 0.00 O ATOM 1218 CB GLU A 85 9.044 -4.260 -2.539 1.00 0.00 C ATOM 1219 CG GLU A 85 8.746 -5.356 -1.529 1.00 0.00 C ATOM 1220 CD GLU A 85 9.743 -5.384 -0.388 1.00 0.00 C ATOM 1221 OE1 GLU A 85 9.704 -4.466 0.458 1.00 0.00 O ATOM 1222 OE2 GLU A 85 10.562 -6.325 -0.338 1.00 0.00 O ATOM 0 H GLU A 85 9.912 -3.255 -4.620 1.00 0.00 H new ATOM 0 HA GLU A 85 8.326 -5.544 -4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.122 -4.197 -2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.722 -3.303 -2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.743 -5.211 -1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.751 -6.322 -2.034 1.00 0.00 H new ATOM 1229 N ALA A 86 6.803 -2.627 -4.043 1.00 0.00 N ATOM 1230 CA ALA A 86 5.494 -1.987 -4.029 1.00 0.00 C ATOM 1231 C ALA A 86 4.590 -2.564 -5.113 1.00 0.00 C ATOM 1232 O ALA A 86 3.371 -2.627 -4.952 1.00 0.00 O ATOM 1233 CB ALA A 86 5.641 -0.484 -4.205 1.00 0.00 C ATOM 0 H ALA A 86 7.582 -1.990 -4.208 1.00 0.00 H new ATOM 0 HA ALA A 86 5.029 -2.184 -3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.656 -0.018 -4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.244 -0.080 -3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.129 -0.275 -5.157 1.00 0.00 H new ATOM 1239 N VAL A 87 5.197 -2.984 -6.219 1.00 0.00 N ATOM 1240 CA VAL A 87 4.447 -3.556 -7.331 1.00 0.00 C ATOM 1241 C VAL A 87 4.079 -5.010 -7.056 1.00 0.00 C ATOM 1242 O VAL A 87 2.957 -5.438 -7.324 1.00 0.00 O ATOM 1243 CB VAL A 87 5.247 -3.481 -8.646 1.00 0.00 C ATOM 1244 CG1 VAL A 87 4.378 -3.895 -9.824 1.00 0.00 C ATOM 1245 CG2 VAL A 87 5.808 -2.083 -8.851 1.00 0.00 C ATOM 0 H VAL A 87 6.205 -2.939 -6.368 1.00 0.00 H new ATOM 0 HA VAL A 87 3.536 -2.966 -7.434 1.00 0.00 H new ATOM 0 HB VAL A 87 6.084 -4.176 -8.581 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.960 -3.836 -10.744 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.032 -4.918 -9.679 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.519 -3.228 -9.895 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.370 -2.050 -9.785 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.989 -1.365 -8.894 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.468 -1.831 -8.021 1.00 0.00 H new ATOM 1255 N ARG A 88 5.032 -5.765 -6.519 1.00 0.00 N ATOM 1256 CA ARG A 88 4.809 -7.171 -6.207 1.00 0.00 C ATOM 1257 C ARG A 88 3.811 -7.323 -5.063 1.00 0.00 C ATOM 1258 O ARG A 88 2.842 -8.075 -5.167 1.00 0.00 O ATOM 1259 CB ARG A 88 6.131 -7.851 -5.845 1.00 0.00 C ATOM 1260 CG ARG A 88 6.758 -8.616 -7.000 1.00 0.00 C ATOM 1261 CD ARG A 88 7.704 -7.737 -7.801 1.00 0.00 C ATOM 1262 NE ARG A 88 8.160 -8.394 -9.023 1.00 0.00 N ATOM 1263 CZ ARG A 88 7.422 -8.506 -10.125 1.00 0.00 C ATOM 1264 NH1 ARG A 88 6.193 -8.006 -10.163 1.00 0.00 N ATOM 1265 NH2 ARG A 88 7.913 -9.121 -11.193 1.00 0.00 N ATOM 0 H ARG A 88 5.967 -5.426 -6.291 1.00 0.00 H new ATOM 0 HA ARG A 88 4.393 -7.653 -7.092 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.835 -7.096 -5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.962 -8.537 -5.015 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.300 -9.479 -6.614 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.974 -8.998 -7.653 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.202 -6.804 -8.057 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.566 -7.477 -7.186 1.00 0.00 H new ATOM 0 HE ARG A 88 9.100 -8.791 -9.033 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.809 -7.533 -9.345 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.632 -8.095 -11.010 1.00 0.00 H new ATOM 0 HH21 ARG A 88 8.856 -9.508 -11.170 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.347 -9.207 -12.037 1.00 0.00 H new ATOM 1279 N LEU A 89 4.056 -6.606 -3.972 1.00 0.00 N ATOM 1280 CA LEU A 89 3.179 -6.661 -2.808 1.00 0.00 C ATOM 1281 C LEU A 89 1.766 -6.217 -3.171 1.00 0.00 C ATOM 1282 O LEU A 89 0.787 -6.689 -2.592 1.00 0.00 O ATOM 1283 CB LEU A 89 3.730 -5.783 -1.684 1.00 0.00 C ATOM 1284 CG LEU A 89 2.988 -5.896 -0.351 1.00 0.00 C ATOM 1285 CD1 LEU A 89 3.188 -7.276 0.256 1.00 0.00 C ATOM 1286 CD2 LEU A 89 3.456 -4.816 0.613 1.00 0.00 C ATOM 0 H LEU A 89 4.855 -5.980 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 89 3.139 -7.694 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.777 -6.040 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.704 -4.743 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 89 1.923 -5.754 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.653 -7.338 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.804 -8.033 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.251 -7.448 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.918 -4.912 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.525 -4.927 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.261 -3.834 0.182 1.00 0.00 H new ATOM 1298 N LEU A 90 1.666 -5.306 -4.133 1.00 0.00 N ATOM 1299 CA LEU A 90 0.372 -4.798 -4.574 1.00 0.00 C ATOM 1300 C LEU A 90 -0.287 -5.765 -5.553 1.00 0.00 C ATOM 1301 O LEU A 90 -1.512 -5.879 -5.598 1.00 0.00 O ATOM 1302 CB LEU A 90 0.536 -3.424 -5.229 1.00 0.00 C ATOM 1303 CG LEU A 90 0.590 -2.245 -4.255 1.00 0.00 C ATOM 1304 CD1 LEU A 90 0.860 -0.949 -5.002 1.00 0.00 C ATOM 1305 CD2 LEU A 90 -0.707 -2.148 -3.466 1.00 0.00 C ATOM 0 H LEU A 90 2.466 -4.904 -4.622 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.270 -4.701 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.450 -3.428 -5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.292 -3.267 -5.921 1.00 0.00 H new ATOM 0 HG LEU A 90 1.407 -2.413 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.895 -0.121 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.815 -1.021 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.064 -0.774 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.652 -1.304 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.541 -2.002 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.859 -3.068 -2.901 1.00 0.00 H new ATOM 1317 N LYS A 91 0.534 -6.459 -6.334 1.00 0.00 N ATOM 1318 CA LYS A 91 0.032 -7.418 -7.311 1.00 0.00 C ATOM 1319 C LYS A 91 0.447 -8.839 -6.941 1.00 0.00 C ATOM 1320 O LYS A 91 1.292 -9.443 -7.601 1.00 0.00 O ATOM 1321 CB LYS A 91 0.547 -7.070 -8.709 1.00 0.00 C ATOM 1322 CG LYS A 91 -0.374 -6.138 -9.482 1.00 0.00 C ATOM 1323 CD LYS A 91 -0.472 -4.772 -8.819 1.00 0.00 C ATOM 1324 CE LYS A 91 -0.024 -3.662 -9.758 1.00 0.00 C ATOM 1325 NZ LYS A 91 0.360 -2.429 -9.018 1.00 0.00 N ATOM 0 H LYS A 91 1.550 -6.375 -6.309 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.057 -7.365 -7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.529 -6.606 -8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.680 -7.990 -9.278 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.005 -6.023 -10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.367 -6.582 -9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.500 -4.592 -8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.143 -4.759 -7.919 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.823 -4.008 -10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.828 -3.431 -10.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.659 -1.697 -9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.455 -2.084 -8.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.145 -2.643 -8.370 1.00 0.00 H new ATOM 1339 N SER A 92 -0.153 -9.366 -5.879 1.00 0.00 N ATOM 1340 CA SER A 92 0.152 -10.716 -5.420 1.00 0.00 C ATOM 1341 C SER A 92 -0.815 -11.149 -4.323 1.00 0.00 C ATOM 1342 O SER A 92 -1.292 -12.283 -4.315 1.00 0.00 O ATOM 1343 CB SER A 92 1.591 -10.788 -4.904 1.00 0.00 C ATOM 1344 OG SER A 92 2.053 -12.126 -4.865 1.00 0.00 O ATOM 0 H SER A 92 -0.853 -8.879 -5.320 1.00 0.00 H new ATOM 0 HA SER A 92 0.041 -11.394 -6.266 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.241 -10.194 -5.547 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.645 -10.352 -3.906 1.00 0.00 H new ATOM 0 HG SER A 92 2.975 -12.144 -4.533 1.00 0.00 H new ATOM 1350 N SER A 93 -1.100 -10.237 -3.398 1.00 0.00 N ATOM 1351 CA SER A 93 -2.011 -10.525 -2.297 1.00 0.00 C ATOM 1352 C SER A 93 -3.464 -10.398 -2.746 1.00 0.00 C ATOM 1353 O SER A 93 -3.742 -10.029 -3.887 1.00 0.00 O ATOM 1354 CB SER A 93 -1.742 -9.579 -1.126 1.00 0.00 C ATOM 1355 OG SER A 93 -0.838 -10.158 -0.201 1.00 0.00 O ATOM 0 H SER A 93 -0.713 -9.293 -3.390 1.00 0.00 H new ATOM 0 HA SER A 93 -1.838 -11.551 -1.973 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.334 -8.640 -1.499 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.680 -9.342 -0.623 1.00 0.00 H new ATOM 0 HG SER A 93 -0.681 -9.533 0.538 1.00 0.00 H new ATOM 1361 N ARG A 94 -4.386 -10.704 -1.840 1.00 0.00 N ATOM 1362 CA ARG A 94 -5.810 -10.624 -2.142 1.00 0.00 C ATOM 1363 C ARG A 94 -6.389 -9.291 -1.678 1.00 0.00 C ATOM 1364 O ARG A 94 -6.828 -8.477 -2.491 1.00 0.00 O ATOM 1365 CB ARG A 94 -6.560 -11.779 -1.474 1.00 0.00 C ATOM 1366 CG ARG A 94 -5.977 -13.145 -1.793 1.00 0.00 C ATOM 1367 CD ARG A 94 -6.275 -13.559 -3.225 1.00 0.00 C ATOM 1368 NE ARG A 94 -5.796 -14.907 -3.518 1.00 0.00 N ATOM 1369 CZ ARG A 94 -4.526 -15.200 -3.791 1.00 0.00 C ATOM 1370 NH1 ARG A 94 -3.607 -14.242 -3.811 1.00 0.00 N ATOM 1371 NH2 ARG A 94 -4.175 -16.452 -4.045 1.00 0.00 N ATOM 0 H ARG A 94 -4.173 -11.010 -0.891 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.932 -10.697 -3.223 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.550 -11.632 -0.394 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.603 -11.755 -1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -4.899 -13.127 -1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.387 -13.886 -1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.350 -13.511 -3.400 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.809 -12.852 -3.911 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.474 -15.669 -3.513 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.872 -13.277 -3.617 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.636 -14.472 -4.021 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.878 -17.191 -4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -3.202 -16.677 -4.254 1.00 0.00 H new ATOM 1385 N HIS A 95 -6.386 -9.075 -0.366 1.00 0.00 N ATOM 1386 CA HIS A 95 -6.909 -7.840 0.206 1.00 0.00 C ATOM 1387 C HIS A 95 -5.828 -6.766 0.262 1.00 0.00 C ATOM 1388 O HIS A 95 -4.713 -7.017 0.717 1.00 0.00 O ATOM 1389 CB HIS A 95 -7.463 -8.098 1.608 1.00 0.00 C ATOM 1390 CG HIS A 95 -8.730 -7.354 1.899 1.00 0.00 C ATOM 1391 ND1 HIS A 95 -9.836 -7.947 2.470 1.00 0.00 N ATOM 1392 CD2 HIS A 95 -9.063 -6.057 1.693 1.00 0.00 C ATOM 1393 CE1 HIS A 95 -10.795 -7.047 2.603 1.00 0.00 C ATOM 1394 NE2 HIS A 95 -10.351 -5.893 2.140 1.00 0.00 N ATOM 0 H HIS A 95 -6.027 -9.739 0.320 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.715 -7.484 -0.435 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.643 -9.166 1.727 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.710 -7.818 2.344 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.433 -5.295 1.259 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -11.775 -7.225 3.020 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -10.879 -5.021 2.118 1.00 0.00 H new ATOM 1403 N LEU A 96 -6.166 -5.568 -0.204 1.00 0.00 N ATOM 1404 CA LEU A 96 -5.223 -4.456 -0.207 1.00 0.00 C ATOM 1405 C LEU A 96 -5.892 -3.173 0.276 1.00 0.00 C ATOM 1406 O LEU A 96 -6.850 -2.694 -0.332 1.00 0.00 O ATOM 1407 CB LEU A 96 -4.649 -4.250 -1.611 1.00 0.00 C ATOM 1408 CG LEU A 96 -3.935 -5.466 -2.202 1.00 0.00 C ATOM 1409 CD1 LEU A 96 -3.770 -5.309 -3.705 1.00 0.00 C ATOM 1410 CD2 LEU A 96 -2.584 -5.665 -1.532 1.00 0.00 C ATOM 0 H LEU A 96 -7.085 -5.343 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.411 -4.700 0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.460 -3.963 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.949 -3.415 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.545 -6.350 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.260 -6.184 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.751 -5.214 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.181 -4.416 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.088 -6.534 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.967 -4.780 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.728 -5.823 -0.463 1.00 0.00 H new ATOM 1422 N ILE A 97 -5.381 -2.622 1.372 1.00 0.00 N ATOM 1423 CA ILE A 97 -5.929 -1.395 1.938 1.00 0.00 C ATOM 1424 C ILE A 97 -4.941 -0.242 1.808 1.00 0.00 C ATOM 1425 O ILE A 97 -4.236 0.097 2.759 1.00 0.00 O ATOM 1426 CB ILE A 97 -6.299 -1.576 3.424 1.00 0.00 C ATOM 1427 CG1 ILE A 97 -7.158 -2.828 3.612 1.00 0.00 C ATOM 1428 CG2 ILE A 97 -7.025 -0.344 3.944 1.00 0.00 C ATOM 1429 CD1 ILE A 97 -6.745 -3.672 4.798 1.00 0.00 C ATOM 0 H ILE A 97 -4.588 -3.006 1.886 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.832 -1.162 1.374 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.381 -1.701 3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.199 -2.529 3.734 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.104 -3.435 2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.279 -0.488 4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.379 0.528 3.843 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.937 -0.189 3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.397 -4.542 4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.714 -4.001 4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.826 -3.082 5.711 1.00 0.00 H new ATOM 1441 N LEU A 98 -4.893 0.360 0.623 1.00 0.00 N ATOM 1442 CA LEU A 98 -3.990 1.477 0.369 1.00 0.00 C ATOM 1443 C LEU A 98 -4.519 2.759 1.003 1.00 0.00 C ATOM 1444 O LEU A 98 -5.685 3.113 0.830 1.00 0.00 O ATOM 1445 CB LEU A 98 -3.806 1.678 -1.136 1.00 0.00 C ATOM 1446 CG LEU A 98 -3.033 0.566 -1.848 1.00 0.00 C ATOM 1447 CD1 LEU A 98 -3.977 -0.533 -2.305 1.00 0.00 C ATOM 1448 CD2 LEU A 98 -2.257 1.130 -3.029 1.00 0.00 C ATOM 0 H LEU A 98 -5.469 0.093 -0.176 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.025 1.242 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.789 1.769 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.288 2.623 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.322 0.135 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.409 -1.315 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.488 -0.956 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.713 -0.118 -2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.713 0.326 -3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.950 1.587 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.551 1.881 -2.675 1.00 0.00 H new ATOM 1460 N THR A 99 -3.653 3.449 1.738 1.00 0.00 N ATOM 1461 CA THR A 99 -4.034 4.693 2.399 1.00 0.00 C ATOM 1462 C THR A 99 -3.368 5.891 1.728 1.00 0.00 C ATOM 1463 O THR A 99 -2.200 6.186 1.981 1.00 0.00 O ATOM 1464 CB THR A 99 -3.653 4.646 3.878 1.00 0.00 C ATOM 1465 OG1 THR A 99 -4.007 3.398 4.448 1.00 0.00 O ATOM 1466 CG2 THR A 99 -4.314 5.729 4.702 1.00 0.00 C ATOM 0 H THR A 99 -2.684 3.169 1.891 1.00 0.00 H new ATOM 0 HA THR A 99 -5.115 4.805 2.313 1.00 0.00 H new ATOM 0 HB THR A 99 -2.574 4.801 3.902 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.753 3.387 5.395 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.000 5.638 5.742 1.00 0.00 H new ATOM 0 HG22 THR A 99 -4.022 6.707 4.319 1.00 0.00 H new ATOM 0 HG23 THR A 99 -5.397 5.624 4.639 1.00 0.00 H new ATOM 1474 N VAL A 100 -4.120 6.577 0.873 1.00 0.00 N ATOM 1475 CA VAL A 100 -3.603 7.742 0.167 1.00 0.00 C ATOM 1476 C VAL A 100 -4.221 9.029 0.703 1.00 0.00 C ATOM 1477 O VAL A 100 -5.415 9.079 1.001 1.00 0.00 O ATOM 1478 CB VAL A 100 -3.875 7.649 -1.346 1.00 0.00 C ATOM 1479 CG1 VAL A 100 -3.054 6.531 -1.969 1.00 0.00 C ATOM 1480 CG2 VAL A 100 -5.359 7.442 -1.609 1.00 0.00 C ATOM 0 H VAL A 100 -5.089 6.346 0.653 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.526 7.760 0.335 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.575 8.589 -1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.260 6.481 -3.038 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.993 6.728 -1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.320 5.582 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.533 7.379 -2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.687 6.518 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.922 8.281 -1.199 1.00 0.00 H new ATOM 1490 N LYS A 101 -3.401 10.068 0.824 1.00 0.00 N ATOM 1491 CA LYS A 101 -3.869 11.356 1.324 1.00 0.00 C ATOM 1492 C LYS A 101 -4.153 12.315 0.173 1.00 0.00 C ATOM 1493 O LYS A 101 -3.757 12.068 -0.966 1.00 0.00 O ATOM 1494 CB LYS A 101 -2.833 11.967 2.270 1.00 0.00 C ATOM 1495 CG LYS A 101 -1.507 12.284 1.598 1.00 0.00 C ATOM 1496 CD LYS A 101 -0.450 12.688 2.614 1.00 0.00 C ATOM 1497 CE LYS A 101 -0.275 14.198 2.665 1.00 0.00 C ATOM 1498 NZ LYS A 101 0.476 14.629 3.877 1.00 0.00 N ATOM 0 H LYS A 101 -2.410 10.044 0.583 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.797 11.190 1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.241 12.882 2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.657 11.278 3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.163 11.413 1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.647 13.089 0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.732 12.320 3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.500 12.219 2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.253 14.533 1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.254 14.678 2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.574 15.664 3.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.041 14.332 4.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.420 14.192 3.874 1.00 0.00 H new ATOM 1512 N ASP A 102 -4.842 13.410 0.478 1.00 0.00 N ATOM 1513 CA ASP A 102 -5.180 14.406 -0.531 1.00 0.00 C ATOM 1514 C ASP A 102 -3.937 15.168 -0.983 1.00 0.00 C ATOM 1515 O ASP A 102 -3.530 16.142 -0.351 1.00 0.00 O ATOM 1516 CB ASP A 102 -6.221 15.385 0.016 1.00 0.00 C ATOM 1517 CG ASP A 102 -7.640 14.949 -0.292 1.00 0.00 C ATOM 1518 OD1 ASP A 102 -7.991 14.872 -1.487 1.00 0.00 O ATOM 1519 OD2 ASP A 102 -8.400 14.685 0.663 1.00 0.00 O ATOM 0 H ASP A 102 -5.177 13.630 1.416 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.598 13.885 -1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.098 15.477 1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.046 16.373 -0.410 1.00 0.00 H new