USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=14 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 33 SER OG : rot 41:sc= 0.237 USER MOD Set 1.2: A 91 LYS NZ :NH3+ -112:sc= 0.266 (180deg=-0.861) USER MOD Single : A 22 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0461) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.732 K(o=0.73,f=-4.7!) USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.401 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -57:sc= 0.814 USER MOD Single : A 57 SER OG : rot -97:sc= -0.0454 USER MOD Single : A 62 SER OG : rot 124:sc= -1.4 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -2.99 X(o=-3,f=-3.2!) USER MOD Single : A 74 ASN : amide:sc= -1.98 K(o=-2,f=-0.61) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.0919 X(o=0.092,f=-0.057) USER MOD Single : A 83 HIS : no HD1:sc= -0.194 X(o=-0.19,f=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 HE2:sc= -1.35 K(o=-1.3,f=-0.42) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 271 N GLU A 21 -6.142 11.075 6.378 1.00 0.00 N ATOM 272 CA GLU A 21 -5.769 9.762 5.862 1.00 0.00 C ATOM 273 C GLU A 21 -6.949 9.098 5.160 1.00 0.00 C ATOM 274 O GLU A 21 -7.961 8.782 5.788 1.00 0.00 O ATOM 275 CB GLU A 21 -5.268 8.869 6.999 1.00 0.00 C ATOM 276 CG GLU A 21 -3.858 9.203 7.458 1.00 0.00 C ATOM 277 CD GLU A 21 -3.835 9.934 8.786 1.00 0.00 C ATOM 278 OE1 GLU A 21 -3.896 9.260 9.836 1.00 0.00 O ATOM 279 OE2 GLU A 21 -3.756 11.181 8.777 1.00 0.00 O ATOM 0 HA GLU A 21 -4.968 9.898 5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.948 8.958 7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.299 7.829 6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.280 8.283 7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.369 9.817 6.701 1.00 0.00 H new ATOM 286 N LYS A 22 -6.812 8.888 3.855 1.00 0.00 N ATOM 287 CA LYS A 22 -7.868 8.261 3.068 1.00 0.00 C ATOM 288 C LYS A 22 -7.581 6.777 2.857 1.00 0.00 C ATOM 289 O LYS A 22 -6.576 6.411 2.247 1.00 0.00 O ATOM 290 CB LYS A 22 -8.011 8.961 1.716 1.00 0.00 C ATOM 291 CG LYS A 22 -9.274 8.579 0.963 1.00 0.00 C ATOM 292 CD LYS A 22 -9.184 8.958 -0.507 1.00 0.00 C ATOM 293 CE LYS A 22 -9.835 7.909 -1.394 1.00 0.00 C ATOM 294 NZ LYS A 22 -11.265 7.693 -1.040 1.00 0.00 N ATOM 0 H LYS A 22 -5.981 9.142 3.320 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.803 8.358 3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.004 10.040 1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.144 8.722 1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.442 7.506 1.053 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.133 9.075 1.416 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.668 9.921 -0.666 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.138 9.077 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.762 8.219 -2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.292 6.968 -1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.717 7.102 -1.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.326 7.215 -0.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.752 8.610 -0.987 1.00 0.00 H new ATOM 308 N LYS A 23 -8.468 5.930 3.366 1.00 0.00 N ATOM 309 CA LYS A 23 -8.310 4.486 3.234 1.00 0.00 C ATOM 310 C LYS A 23 -9.060 3.967 2.012 1.00 0.00 C ATOM 311 O LYS A 23 -10.120 4.483 1.656 1.00 0.00 O ATOM 312 CB LYS A 23 -8.811 3.780 4.497 1.00 0.00 C ATOM 313 CG LYS A 23 -7.834 2.752 5.046 1.00 0.00 C ATOM 314 CD LYS A 23 -8.298 2.207 6.387 1.00 0.00 C ATOM 315 CE LYS A 23 -7.282 1.240 6.977 1.00 0.00 C ATOM 316 NZ LYS A 23 -7.938 0.140 7.736 1.00 0.00 N ATOM 0 H LYS A 23 -9.304 6.218 3.874 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.250 4.270 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.011 4.526 5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.758 3.288 4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.728 1.932 4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.850 3.206 5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.461 3.033 7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.255 1.700 6.264 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.676 0.817 6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.605 1.783 7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.212 -0.497 8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.496 0.541 8.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.565 -0.394 7.101 1.00 0.00 H new ATOM 330 N VAL A 24 -8.504 2.942 1.374 1.00 0.00 N ATOM 331 CA VAL A 24 -9.121 2.353 0.191 1.00 0.00 C ATOM 332 C VAL A 24 -9.067 0.831 0.244 1.00 0.00 C ATOM 333 O VAL A 24 -8.175 0.211 -0.335 1.00 0.00 O ATOM 334 CB VAL A 24 -8.435 2.835 -1.101 1.00 0.00 C ATOM 335 CG1 VAL A 24 -9.211 2.373 -2.324 1.00 0.00 C ATOM 336 CG2 VAL A 24 -8.288 4.349 -1.095 1.00 0.00 C ATOM 0 H VAL A 24 -7.628 2.502 1.656 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.162 2.678 0.183 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.438 2.396 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.710 2.724 -3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.258 1.284 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.222 2.780 -2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.801 4.671 -2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.273 4.810 -1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.684 4.653 -0.240 1.00 0.00 H new ATOM 346 N ASN A 25 -10.027 0.233 0.942 1.00 0.00 N ATOM 347 CA ASN A 25 -10.089 -1.219 1.070 1.00 0.00 C ATOM 348 C ASN A 25 -10.595 -1.858 -0.219 1.00 0.00 C ATOM 349 O ASN A 25 -11.637 -1.474 -0.747 1.00 0.00 O ATOM 350 CB ASN A 25 -10.996 -1.609 2.237 1.00 0.00 C ATOM 351 CG ASN A 25 -12.352 -0.932 2.168 1.00 0.00 C ATOM 352 OD1 ASN A 25 -12.443 0.291 2.068 1.00 0.00 O ATOM 353 ND2 ASN A 25 -13.414 -1.728 2.222 1.00 0.00 N ATOM 0 H ASN A 25 -10.773 0.731 1.428 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.081 -1.586 1.264 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.133 -2.690 2.241 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.509 -1.345 3.176 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.352 -1.330 2.180 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.291 -2.737 2.305 1.00 0.00 H new ATOM 360 N LEU A 26 -9.848 -2.838 -0.720 1.00 0.00 N ATOM 361 CA LEU A 26 -10.220 -3.531 -1.946 1.00 0.00 C ATOM 362 C LEU A 26 -10.146 -5.043 -1.760 1.00 0.00 C ATOM 363 O LEU A 26 -9.246 -5.553 -1.094 1.00 0.00 O ATOM 364 CB LEU A 26 -9.309 -3.102 -3.097 1.00 0.00 C ATOM 365 CG LEU A 26 -9.348 -1.609 -3.431 1.00 0.00 C ATOM 366 CD1 LEU A 26 -8.192 -1.238 -4.347 1.00 0.00 C ATOM 367 CD2 LEU A 26 -10.678 -1.243 -4.073 1.00 0.00 C ATOM 0 H LEU A 26 -8.982 -3.169 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.248 -3.262 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.283 -3.377 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.585 -3.666 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.246 -1.044 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.235 -0.173 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.248 -1.465 -3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.263 -1.810 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.689 -0.178 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.808 -1.815 -4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.490 -1.473 -3.384 1.00 0.00 H new ATOM 379 N VAL A 27 -11.099 -5.755 -2.354 1.00 0.00 N ATOM 380 CA VAL A 27 -11.140 -7.209 -2.255 1.00 0.00 C ATOM 381 C VAL A 27 -11.018 -7.857 -3.629 1.00 0.00 C ATOM 382 O VAL A 27 -11.905 -7.722 -4.472 1.00 0.00 O ATOM 383 CB VAL A 27 -12.443 -7.689 -1.588 1.00 0.00 C ATOM 384 CG1 VAL A 27 -12.384 -9.184 -1.313 1.00 0.00 C ATOM 385 CG2 VAL A 27 -12.704 -6.913 -0.306 1.00 0.00 C ATOM 0 H VAL A 27 -11.852 -5.348 -2.908 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.292 -7.508 -1.639 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.270 -7.502 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.313 -9.504 -0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.249 -9.722 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.547 -9.399 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.629 -7.266 0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.876 -7.065 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.795 -5.851 -0.535 1.00 0.00 H new ATOM 395 N LEU A 28 -9.914 -8.562 -3.850 1.00 0.00 N ATOM 396 CA LEU A 28 -9.675 -9.231 -5.124 1.00 0.00 C ATOM 397 C LEU A 28 -10.077 -10.701 -5.050 1.00 0.00 C ATOM 398 O LEU A 28 -10.305 -11.239 -3.966 1.00 0.00 O ATOM 399 CB LEU A 28 -8.202 -9.113 -5.518 1.00 0.00 C ATOM 400 CG LEU A 28 -7.606 -7.711 -5.383 1.00 0.00 C ATOM 401 CD1 LEU A 28 -6.118 -7.731 -5.697 1.00 0.00 C ATOM 402 CD2 LEU A 28 -8.332 -6.734 -6.296 1.00 0.00 C ATOM 0 H LEU A 28 -9.170 -8.685 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.287 -8.743 -5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.621 -9.799 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.091 -9.441 -6.552 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.734 -7.380 -4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.711 -6.725 -5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.609 -8.400 -5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.966 -8.083 -6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.895 -5.741 -6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.235 -7.062 -7.331 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.387 -6.698 -6.025 1.00 0.00 H new ATOM 464 N SER A 33 -5.609 -7.820 -9.772 1.00 0.00 N ATOM 465 CA SER A 33 -4.686 -6.691 -9.793 1.00 0.00 C ATOM 466 C SER A 33 -5.421 -5.381 -9.521 1.00 0.00 C ATOM 467 O SER A 33 -6.650 -5.325 -9.575 1.00 0.00 O ATOM 468 CB SER A 33 -3.967 -6.619 -11.144 1.00 0.00 C ATOM 469 OG SER A 33 -2.574 -6.834 -10.991 1.00 0.00 O ATOM 0 HA SER A 33 -3.948 -6.841 -9.005 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.382 -7.366 -11.821 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.140 -5.644 -11.600 1.00 0.00 H new ATOM 0 HG SER A 33 -2.423 -7.555 -10.345 1.00 0.00 H new ATOM 475 N LEU A 34 -4.661 -4.332 -9.227 1.00 0.00 N ATOM 476 CA LEU A 34 -5.239 -3.024 -8.945 1.00 0.00 C ATOM 477 C LEU A 34 -5.273 -2.161 -10.203 1.00 0.00 C ATOM 478 O LEU A 34 -6.277 -1.511 -10.495 1.00 0.00 O ATOM 479 CB LEU A 34 -4.442 -2.315 -7.849 1.00 0.00 C ATOM 480 CG LEU A 34 -4.290 -3.103 -6.546 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.328 -2.397 -5.605 1.00 0.00 C ATOM 482 CD2 LEU A 34 -5.645 -3.295 -5.881 1.00 0.00 C ATOM 0 H LEU A 34 -3.643 -4.362 -9.178 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.262 -3.175 -8.601 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.449 -2.085 -8.234 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.926 -1.364 -7.626 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.879 -4.085 -6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.232 -2.972 -4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.351 -2.310 -6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.709 -1.402 -5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.520 -3.857 -4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.082 -2.322 -5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.305 -3.844 -6.552 1.00 0.00 H new ATOM 494 N GLY A 35 -4.170 -2.159 -10.944 1.00 0.00 N ATOM 495 CA GLY A 35 -4.096 -1.372 -12.161 1.00 0.00 C ATOM 496 C GLY A 35 -3.651 0.054 -11.902 1.00 0.00 C ATOM 497 O GLY A 35 -4.189 0.994 -12.487 1.00 0.00 O ATOM 0 H GLY A 35 -3.326 -2.688 -10.724 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.402 -1.846 -12.855 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.073 -1.363 -12.644 1.00 0.00 H new ATOM 501 N LEU A 36 -2.668 0.215 -11.022 1.00 0.00 N ATOM 502 CA LEU A 36 -2.151 1.537 -10.687 1.00 0.00 C ATOM 503 C LEU A 36 -0.677 1.655 -11.057 1.00 0.00 C ATOM 504 O LEU A 36 0.122 0.766 -10.759 1.00 0.00 O ATOM 505 CB LEU A 36 -2.337 1.816 -9.193 1.00 0.00 C ATOM 506 CG LEU A 36 -3.791 1.852 -8.718 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.854 1.868 -7.198 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.510 3.062 -9.296 1.00 0.00 C ATOM 0 H LEU A 36 -2.214 -0.553 -10.528 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.711 2.275 -11.261 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.804 1.052 -8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.869 2.772 -8.956 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.293 0.952 -9.073 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.895 1.894 -6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.375 0.971 -6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.337 2.751 -6.822 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.543 3.072 -8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.008 3.973 -8.970 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.494 3.009 -10.385 1.00 0.00 H new ATOM 520 N THR A 37 -0.322 2.757 -11.711 1.00 0.00 N ATOM 521 CA THR A 37 1.057 2.990 -12.123 1.00 0.00 C ATOM 522 C THR A 37 1.807 3.807 -11.076 1.00 0.00 C ATOM 523 O THR A 37 2.000 5.012 -11.234 1.00 0.00 O ATOM 524 CB THR A 37 1.093 3.712 -13.471 1.00 0.00 C ATOM 525 OG1 THR A 37 0.089 3.211 -14.335 1.00 0.00 O ATOM 526 CG2 THR A 37 2.421 3.581 -14.185 1.00 0.00 C ATOM 0 H THR A 37 -0.970 3.502 -11.967 1.00 0.00 H new ATOM 0 HA THR A 37 1.548 2.022 -12.223 1.00 0.00 H new ATOM 0 HB THR A 37 0.926 4.764 -13.240 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.226 3.568 -15.237 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.378 4.116 -15.134 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.211 4.005 -13.565 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.632 2.528 -14.371 1.00 0.00 H new ATOM 534 N ILE A 38 2.228 3.142 -10.004 1.00 0.00 N ATOM 535 CA ILE A 38 2.956 3.807 -8.931 1.00 0.00 C ATOM 536 C ILE A 38 4.369 4.175 -9.373 1.00 0.00 C ATOM 537 O ILE A 38 4.930 3.555 -10.275 1.00 0.00 O ATOM 538 CB ILE A 38 3.040 2.920 -7.674 1.00 0.00 C ATOM 539 CG1 ILE A 38 3.723 1.590 -8.002 1.00 0.00 C ATOM 540 CG2 ILE A 38 1.652 2.681 -7.100 1.00 0.00 C ATOM 541 CD1 ILE A 38 4.705 1.138 -6.943 1.00 0.00 C ATOM 0 H ILE A 38 2.077 2.144 -9.856 1.00 0.00 H new ATOM 0 HA ILE A 38 2.404 4.715 -8.690 1.00 0.00 H new ATOM 0 HB ILE A 38 3.638 3.437 -6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.961 0.821 -8.131 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.245 1.684 -8.954 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.728 2.053 -6.213 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.200 3.636 -6.831 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.031 2.183 -7.845 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.151 0.189 -7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.488 1.887 -6.830 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.184 1.011 -5.994 1.00 0.00 H new ATOM 553 N ARG A 39 4.938 5.190 -8.730 1.00 0.00 N ATOM 554 CA ARG A 39 6.285 5.642 -9.057 1.00 0.00 C ATOM 555 C ARG A 39 7.031 6.082 -7.802 1.00 0.00 C ATOM 556 O ARG A 39 6.418 6.497 -6.817 1.00 0.00 O ATOM 557 CB ARG A 39 6.229 6.795 -10.062 1.00 0.00 C ATOM 558 CG ARG A 39 5.535 8.037 -9.523 1.00 0.00 C ATOM 559 CD ARG A 39 6.518 9.174 -9.295 1.00 0.00 C ATOM 560 NE ARG A 39 6.536 10.115 -10.413 1.00 0.00 N ATOM 561 CZ ARG A 39 5.577 11.009 -10.644 1.00 0.00 C ATOM 562 NH1 ARG A 39 4.524 11.087 -9.839 1.00 0.00 N ATOM 563 NH2 ARG A 39 5.670 11.827 -11.683 1.00 0.00 N ATOM 0 H ARG A 39 4.487 5.714 -7.980 1.00 0.00 H new ATOM 0 HA ARG A 39 6.823 4.806 -9.503 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.244 7.056 -10.360 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.710 6.459 -10.960 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.764 8.357 -10.224 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.033 7.796 -8.586 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.254 9.704 -8.380 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.518 8.765 -9.149 1.00 0.00 H new ATOM 0 HE ARG A 39 7.329 10.085 -11.053 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.447 10.460 -9.038 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.793 11.774 -10.021 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.476 11.771 -12.305 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.935 12.512 -11.860 1.00 0.00 H new ATOM 577 N GLY A 40 8.356 5.986 -7.843 1.00 0.00 N ATOM 578 CA GLY A 40 9.163 6.377 -6.703 1.00 0.00 C ATOM 579 C GLY A 40 9.335 5.252 -5.701 1.00 0.00 C ATOM 580 O GLY A 40 8.480 4.373 -5.592 1.00 0.00 O ATOM 0 H GLY A 40 8.885 5.644 -8.646 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.143 6.703 -7.050 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.699 7.231 -6.210 1.00 0.00 H new ATOM 584 N GLY A 41 10.444 5.279 -4.968 1.00 0.00 N ATOM 585 CA GLY A 41 10.705 4.247 -3.980 1.00 0.00 C ATOM 586 C GLY A 41 12.069 4.395 -3.336 1.00 0.00 C ATOM 587 O GLY A 41 12.735 5.416 -3.505 1.00 0.00 O ATOM 0 H GLY A 41 11.166 5.996 -5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.936 4.284 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.634 3.268 -4.454 1.00 0.00 H new ATOM 591 N ALA A 42 12.484 3.373 -2.595 1.00 0.00 N ATOM 592 CA ALA A 42 13.777 3.394 -1.922 1.00 0.00 C ATOM 593 C ALA A 42 14.917 3.503 -2.928 1.00 0.00 C ATOM 594 O ALA A 42 15.967 4.074 -2.631 1.00 0.00 O ATOM 595 CB ALA A 42 13.945 2.148 -1.064 1.00 0.00 C ATOM 0 H ALA A 42 11.944 2.521 -2.446 1.00 0.00 H new ATOM 0 HA ALA A 42 13.810 4.273 -1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.915 2.176 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.154 2.113 -0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.887 1.261 -1.695 1.00 0.00 H new ATOM 601 N GLU A 43 14.705 2.952 -4.119 1.00 0.00 N ATOM 602 CA GLU A 43 15.715 2.988 -5.169 1.00 0.00 C ATOM 603 C GLU A 43 16.011 4.424 -5.590 1.00 0.00 C ATOM 604 O GLU A 43 17.143 4.757 -5.942 1.00 0.00 O ATOM 605 CB GLU A 43 15.253 2.174 -6.379 1.00 0.00 C ATOM 606 CG GLU A 43 16.373 1.400 -7.055 1.00 0.00 C ATOM 607 CD GLU A 43 16.033 1.011 -8.481 1.00 0.00 C ATOM 608 OE1 GLU A 43 14.914 0.510 -8.710 1.00 0.00 O ATOM 609 OE2 GLU A 43 16.889 1.209 -9.369 1.00 0.00 O ATOM 0 H GLU A 43 13.842 2.475 -4.380 1.00 0.00 H new ATOM 0 HA GLU A 43 16.630 2.548 -4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.479 1.475 -6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 43 14.797 2.846 -7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.280 2.004 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 43 16.588 0.501 -6.478 1.00 0.00 H new ATOM 616 N TYR A 44 14.987 5.270 -5.553 1.00 0.00 N ATOM 617 CA TYR A 44 15.138 6.671 -5.932 1.00 0.00 C ATOM 618 C TYR A 44 15.030 7.585 -4.714 1.00 0.00 C ATOM 619 O TYR A 44 14.766 8.780 -4.847 1.00 0.00 O ATOM 620 CB TYR A 44 14.077 7.056 -6.965 1.00 0.00 C ATOM 621 CG TYR A 44 14.021 6.124 -8.154 1.00 0.00 C ATOM 622 CD1 TYR A 44 13.444 4.865 -8.047 1.00 0.00 C ATOM 623 CD2 TYR A 44 14.548 6.502 -9.383 1.00 0.00 C ATOM 624 CE1 TYR A 44 13.391 4.009 -9.132 1.00 0.00 C ATOM 625 CE2 TYR A 44 14.498 5.653 -10.473 1.00 0.00 C ATOM 626 CZ TYR A 44 13.919 4.408 -10.341 1.00 0.00 C ATOM 627 OH TYR A 44 13.868 3.560 -11.423 1.00 0.00 O ATOM 0 H TYR A 44 14.044 5.010 -5.265 1.00 0.00 H new ATOM 0 HA TYR A 44 16.129 6.796 -6.369 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.100 7.073 -6.481 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.276 8.068 -7.317 1.00 0.00 H new ATOM 0 HD1 TYR A 44 13.030 4.549 -7.101 1.00 0.00 H new ATOM 0 HD2 TYR A 44 15.004 7.475 -9.488 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.938 3.033 -9.032 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.910 5.963 -11.422 1.00 0.00 H new ATOM 0 HH TYR A 44 14.282 3.993 -12.198 1.00 0.00 H new ATOM 637 N GLY A 45 15.237 7.020 -3.526 1.00 0.00 N ATOM 638 CA GLY A 45 15.158 7.803 -2.306 1.00 0.00 C ATOM 639 C GLY A 45 13.867 8.594 -2.201 1.00 0.00 C ATOM 640 O GLY A 45 13.813 9.619 -1.523 1.00 0.00 O ATOM 0 H GLY A 45 15.458 6.034 -3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.243 7.138 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.004 8.489 -2.264 1.00 0.00 H new ATOM 644 N LEU A 46 12.824 8.115 -2.873 1.00 0.00 N ATOM 645 CA LEU A 46 11.529 8.785 -2.852 1.00 0.00 C ATOM 646 C LEU A 46 10.445 7.854 -2.317 1.00 0.00 C ATOM 647 O LEU A 46 10.614 6.636 -2.292 1.00 0.00 O ATOM 648 CB LEU A 46 11.158 9.265 -4.256 1.00 0.00 C ATOM 649 CG LEU A 46 10.030 10.298 -4.308 1.00 0.00 C ATOM 650 CD1 LEU A 46 10.396 11.528 -3.493 1.00 0.00 C ATOM 651 CD2 LEU A 46 9.728 10.682 -5.749 1.00 0.00 C ATOM 0 H LEU A 46 12.851 7.266 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 46 11.603 9.647 -2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.045 9.693 -4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.868 8.401 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 46 9.134 9.854 -3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.582 12.252 -3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.564 11.240 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.304 11.975 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.924 11.417 -5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.621 11.108 -6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.423 9.796 -6.305 1.00 0.00 H new ATOM 663 N GLY A 47 9.328 8.438 -1.892 1.00 0.00 N ATOM 664 CA GLY A 47 8.233 7.648 -1.365 1.00 0.00 C ATOM 665 C GLY A 47 7.521 6.851 -2.440 1.00 0.00 C ATOM 666 O GLY A 47 8.144 6.407 -3.406 1.00 0.00 O ATOM 0 H GLY A 47 9.163 9.445 -1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.614 6.966 -0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.518 8.307 -0.873 1.00 0.00 H new ATOM 670 N ILE A 48 6.216 6.669 -2.274 1.00 0.00 N ATOM 671 CA ILE A 48 5.419 5.920 -3.240 1.00 0.00 C ATOM 672 C ILE A 48 4.211 6.728 -3.699 1.00 0.00 C ATOM 673 O ILE A 48 3.254 6.916 -2.948 1.00 0.00 O ATOM 674 CB ILE A 48 4.933 4.583 -2.649 1.00 0.00 C ATOM 675 CG1 ILE A 48 6.098 3.832 -2.002 1.00 0.00 C ATOM 676 CG2 ILE A 48 4.281 3.733 -3.729 1.00 0.00 C ATOM 677 CD1 ILE A 48 7.168 3.412 -2.986 1.00 0.00 C ATOM 0 H ILE A 48 5.687 7.029 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 48 6.064 5.718 -4.095 1.00 0.00 H new ATOM 0 HB ILE A 48 4.189 4.792 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.548 4.465 -1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.713 2.946 -1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.943 2.792 -3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.428 4.267 -4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.005 3.530 -4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.962 2.885 -2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.733 2.753 -3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.581 4.295 -3.474 1.00 0.00 H new ATOM 689 N TYR A 49 4.262 7.206 -4.939 1.00 0.00 N ATOM 690 CA TYR A 49 3.171 7.994 -5.500 1.00 0.00 C ATOM 691 C TYR A 49 2.513 7.261 -6.666 1.00 0.00 C ATOM 692 O TYR A 49 2.956 6.184 -7.064 1.00 0.00 O ATOM 693 CB TYR A 49 3.685 9.357 -5.965 1.00 0.00 C ATOM 694 CG TYR A 49 4.351 10.160 -4.869 1.00 0.00 C ATOM 695 CD1 TYR A 49 5.673 9.925 -4.515 1.00 0.00 C ATOM 696 CD2 TYR A 49 3.657 11.155 -4.191 1.00 0.00 C ATOM 697 CE1 TYR A 49 6.284 10.656 -3.514 1.00 0.00 C ATOM 698 CE2 TYR A 49 4.261 11.891 -3.191 1.00 0.00 C ATOM 699 CZ TYR A 49 5.575 11.638 -2.856 1.00 0.00 C ATOM 700 OH TYR A 49 6.179 12.368 -1.859 1.00 0.00 O ATOM 0 H TYR A 49 5.047 7.061 -5.574 1.00 0.00 H new ATOM 0 HA TYR A 49 2.425 8.142 -4.719 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.395 9.210 -6.779 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.852 9.931 -6.369 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.233 9.159 -5.030 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.628 11.356 -4.451 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.312 10.459 -3.249 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.708 12.661 -2.674 1.00 0.00 H new ATOM 0 HH TYR A 49 5.542 13.020 -1.499 1.00 0.00 H new ATOM 710 N ILE A 50 1.454 7.854 -7.208 1.00 0.00 N ATOM 711 CA ILE A 50 0.736 7.258 -8.328 1.00 0.00 C ATOM 712 C ILE A 50 0.739 8.186 -9.539 1.00 0.00 C ATOM 713 O ILE A 50 0.573 9.398 -9.405 1.00 0.00 O ATOM 714 CB ILE A 50 -0.722 6.932 -7.952 1.00 0.00 C ATOM 715 CG1 ILE A 50 -0.771 6.175 -6.623 1.00 0.00 C ATOM 716 CG2 ILE A 50 -1.386 6.121 -9.055 1.00 0.00 C ATOM 717 CD1 ILE A 50 -2.173 5.998 -6.081 1.00 0.00 C ATOM 0 H ILE A 50 1.075 8.746 -6.890 1.00 0.00 H new ATOM 0 HA ILE A 50 1.255 6.333 -8.579 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.270 7.867 -7.837 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.315 5.194 -6.756 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.170 6.709 -5.887 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.415 5.899 -8.774 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.379 6.694 -9.982 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.840 5.189 -9.200 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.132 5.453 -5.138 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.626 6.976 -5.916 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.772 5.437 -6.798 1.00 0.00 H new ATOM 729 N THR A 51 0.932 7.609 -10.720 1.00 0.00 N ATOM 730 CA THR A 51 0.959 8.386 -11.955 1.00 0.00 C ATOM 731 C THR A 51 0.321 7.608 -13.100 1.00 0.00 C ATOM 732 O THR A 51 0.793 7.657 -14.237 1.00 0.00 O ATOM 733 CB THR A 51 2.397 8.761 -12.314 1.00 0.00 C ATOM 734 OG1 THR A 51 2.427 9.591 -13.462 1.00 0.00 O ATOM 735 CG2 THR A 51 3.277 7.562 -12.591 1.00 0.00 C ATOM 0 H THR A 51 1.072 6.607 -10.849 1.00 0.00 H new ATOM 0 HA THR A 51 0.383 9.298 -11.795 1.00 0.00 H new ATOM 0 HB THR A 51 2.786 9.282 -11.439 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.991 9.131 -14.209 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.283 7.899 -12.839 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.315 6.926 -11.706 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.867 6.996 -13.427 1.00 0.00 H new ATOM 743 N GLY A 52 -0.755 6.889 -12.796 1.00 0.00 N ATOM 744 CA GLY A 52 -1.439 6.111 -13.812 1.00 0.00 C ATOM 745 C GLY A 52 -2.628 5.351 -13.257 1.00 0.00 C ATOM 746 O GLY A 52 -2.560 4.789 -12.165 1.00 0.00 O ATOM 0 H GLY A 52 -1.165 6.831 -11.864 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.775 6.775 -14.608 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.738 5.406 -14.259 1.00 0.00 H new ATOM 750 N VAL A 53 -3.721 5.335 -14.014 1.00 0.00 N ATOM 751 CA VAL A 53 -4.930 4.639 -13.594 1.00 0.00 C ATOM 752 C VAL A 53 -5.477 3.764 -14.717 1.00 0.00 C ATOM 753 O VAL A 53 -5.907 4.265 -15.756 1.00 0.00 O ATOM 754 CB VAL A 53 -6.025 5.628 -13.152 1.00 0.00 C ATOM 755 CG1 VAL A 53 -7.199 4.887 -12.532 1.00 0.00 C ATOM 756 CG2 VAL A 53 -5.457 6.651 -12.180 1.00 0.00 C ATOM 0 H VAL A 53 -3.793 5.796 -14.921 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.655 4.012 -12.746 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.387 6.158 -14.033 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.961 5.604 -12.227 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.621 4.198 -13.263 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.857 4.328 -11.661 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.244 7.342 -11.878 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.066 6.139 -11.301 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.653 7.206 -12.664 1.00 0.00 H new ATOM 766 N ASP A 54 -5.457 2.452 -14.502 1.00 0.00 N ATOM 767 CA ASP A 54 -5.951 1.507 -15.498 1.00 0.00 C ATOM 768 C ASP A 54 -7.457 1.664 -15.696 1.00 0.00 C ATOM 769 O ASP A 54 -8.207 1.786 -14.728 1.00 0.00 O ATOM 770 CB ASP A 54 -5.627 0.073 -15.074 1.00 0.00 C ATOM 771 CG ASP A 54 -4.263 -0.379 -15.559 1.00 0.00 C ATOM 772 OD1 ASP A 54 -3.385 0.487 -15.755 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.073 -1.600 -15.741 1.00 0.00 O ATOM 0 H ASP A 54 -5.105 2.019 -13.648 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.454 1.720 -16.444 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.665 0.001 -13.987 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.390 -0.600 -15.465 1.00 0.00 H new ATOM 778 N PRO A 55 -7.924 1.662 -16.958 1.00 0.00 N ATOM 779 CA PRO A 55 -9.349 1.806 -17.270 1.00 0.00 C ATOM 780 C PRO A 55 -10.134 0.528 -16.997 1.00 0.00 C ATOM 781 O PRO A 55 -9.879 -0.512 -17.605 1.00 0.00 O ATOM 782 CB PRO A 55 -9.346 2.123 -18.765 1.00 0.00 C ATOM 783 CG PRO A 55 -8.121 1.458 -19.287 1.00 0.00 C ATOM 784 CD PRO A 55 -7.104 1.522 -18.178 1.00 0.00 C ATOM 0 HA PRO A 55 -9.829 2.569 -16.657 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.243 1.741 -19.253 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.320 3.198 -18.942 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.328 0.425 -19.567 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.755 1.963 -20.181 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.489 0.622 -18.146 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.427 2.367 -18.304 1.00 0.00 H new ATOM 792 N GLY A 56 -11.089 0.611 -16.076 1.00 0.00 N ATOM 793 CA GLY A 56 -11.896 -0.547 -15.740 1.00 0.00 C ATOM 794 C GLY A 56 -11.166 -1.519 -14.834 1.00 0.00 C ATOM 795 O GLY A 56 -11.235 -2.732 -15.031 1.00 0.00 O ATOM 0 H GLY A 56 -11.318 1.459 -15.557 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.813 -0.218 -15.251 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.190 -1.059 -16.656 1.00 0.00 H new ATOM 799 N SER A 57 -10.466 -0.985 -13.838 1.00 0.00 N ATOM 800 CA SER A 57 -9.720 -1.814 -12.898 1.00 0.00 C ATOM 801 C SER A 57 -10.308 -1.710 -11.494 1.00 0.00 C ATOM 802 O SER A 57 -11.237 -0.938 -11.256 1.00 0.00 O ATOM 803 CB SER A 57 -8.247 -1.400 -12.878 1.00 0.00 C ATOM 804 OG SER A 57 -8.108 -0.031 -12.540 1.00 0.00 O ATOM 0 H SER A 57 -10.400 0.017 -13.661 1.00 0.00 H new ATOM 0 HA SER A 57 -9.795 -2.850 -13.228 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.703 -2.013 -12.159 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.801 -1.584 -13.855 1.00 0.00 H new ATOM 0 HG SER A 57 -8.009 0.499 -13.358 1.00 0.00 H new ATOM 810 N GLU A 58 -9.761 -2.492 -10.569 1.00 0.00 N ATOM 811 CA GLU A 58 -10.232 -2.488 -9.190 1.00 0.00 C ATOM 812 C GLU A 58 -9.914 -1.160 -8.510 1.00 0.00 C ATOM 813 O GLU A 58 -10.721 -0.634 -7.743 1.00 0.00 O ATOM 814 CB GLU A 58 -9.598 -3.640 -8.408 1.00 0.00 C ATOM 815 CG GLU A 58 -10.165 -5.003 -8.767 1.00 0.00 C ATOM 816 CD GLU A 58 -11.552 -5.228 -8.196 1.00 0.00 C ATOM 817 OE1 GLU A 58 -11.692 -5.211 -6.955 1.00 0.00 O ATOM 818 OE2 GLU A 58 -12.496 -5.419 -8.990 1.00 0.00 O ATOM 0 H GLU A 58 -8.991 -3.136 -10.750 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.314 -2.619 -9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.523 -3.643 -8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.740 -3.466 -7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.203 -5.102 -9.852 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.494 -5.780 -8.399 1.00 0.00 H new ATOM 825 N ALA A 59 -8.733 -0.623 -8.797 1.00 0.00 N ATOM 826 CA ALA A 59 -8.307 0.643 -8.213 1.00 0.00 C ATOM 827 C ALA A 59 -9.046 1.816 -8.848 1.00 0.00 C ATOM 828 O ALA A 59 -9.297 2.831 -8.198 1.00 0.00 O ATOM 829 CB ALA A 59 -6.804 0.818 -8.369 1.00 0.00 C ATOM 0 H ALA A 59 -8.054 -1.045 -9.430 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.551 0.625 -7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.501 1.768 -7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.288 0.002 -7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.545 0.810 -9.428 1.00 0.00 H new ATOM 835 N GLU A 60 -9.394 1.669 -10.122 1.00 0.00 N ATOM 836 CA GLU A 60 -10.105 2.716 -10.846 1.00 0.00 C ATOM 837 C GLU A 60 -11.540 2.844 -10.347 1.00 0.00 C ATOM 838 O GLU A 60 -12.119 3.931 -10.361 1.00 0.00 O ATOM 839 CB GLU A 60 -10.099 2.423 -12.348 1.00 0.00 C ATOM 840 CG GLU A 60 -10.344 3.652 -13.209 1.00 0.00 C ATOM 841 CD GLU A 60 -11.635 3.564 -13.999 1.00 0.00 C ATOM 842 OE1 GLU A 60 -12.676 3.219 -13.400 1.00 0.00 O ATOM 843 OE2 GLU A 60 -11.605 3.840 -15.217 1.00 0.00 O ATOM 0 H GLU A 60 -9.195 0.835 -10.674 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.591 3.660 -10.666 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.139 1.984 -12.620 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.864 1.678 -12.567 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.371 4.537 -12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.509 3.780 -13.898 1.00 0.00 H new ATOM 850 N GLY A 61 -12.109 1.727 -9.905 1.00 0.00 N ATOM 851 CA GLY A 61 -13.472 1.737 -9.407 1.00 0.00 C ATOM 852 C GLY A 61 -13.614 2.525 -8.120 1.00 0.00 C ATOM 853 O GLY A 61 -14.601 3.234 -7.924 1.00 0.00 O ATOM 0 H GLY A 61 -11.651 0.816 -9.883 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.129 2.164 -10.165 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.802 0.712 -9.240 1.00 0.00 H new ATOM 857 N SER A 62 -12.625 2.402 -7.241 1.00 0.00 N ATOM 858 CA SER A 62 -12.643 3.110 -5.966 1.00 0.00 C ATOM 859 C SER A 62 -12.620 4.619 -6.182 1.00 0.00 C ATOM 860 O SER A 62 -13.326 5.364 -5.504 1.00 0.00 O ATOM 861 CB SER A 62 -11.450 2.687 -5.108 1.00 0.00 C ATOM 862 OG SER A 62 -11.816 2.578 -3.743 1.00 0.00 O ATOM 0 H SER A 62 -11.801 1.819 -7.388 1.00 0.00 H new ATOM 0 HA SER A 62 -13.565 2.850 -5.447 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.065 1.731 -5.462 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.645 3.414 -5.215 1.00 0.00 H new ATOM 0 HG SER A 62 -11.602 1.679 -3.418 1.00 0.00 H new ATOM 868 N GLY A 63 -11.803 5.063 -7.132 1.00 0.00 N ATOM 869 CA GLY A 63 -11.702 6.482 -7.422 1.00 0.00 C ATOM 870 C GLY A 63 -10.303 7.021 -7.201 1.00 0.00 C ATOM 871 O GLY A 63 -10.131 8.150 -6.742 1.00 0.00 O ATOM 0 H GLY A 63 -11.209 4.465 -7.706 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.997 6.660 -8.456 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.403 7.029 -6.791 1.00 0.00 H new ATOM 875 N LEU A 64 -9.300 6.212 -7.528 1.00 0.00 N ATOM 876 CA LEU A 64 -7.908 6.615 -7.362 1.00 0.00 C ATOM 877 C LEU A 64 -7.409 7.373 -8.588 1.00 0.00 C ATOM 878 O LEU A 64 -7.538 6.902 -9.718 1.00 0.00 O ATOM 879 CB LEU A 64 -7.026 5.388 -7.115 1.00 0.00 C ATOM 880 CG LEU A 64 -7.269 4.674 -5.785 1.00 0.00 C ATOM 881 CD1 LEU A 64 -6.405 3.427 -5.684 1.00 0.00 C ATOM 882 CD2 LEU A 64 -6.994 5.611 -4.619 1.00 0.00 C ATOM 0 H LEU A 64 -9.425 5.274 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.850 7.278 -6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.184 4.677 -7.926 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.981 5.696 -7.159 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.315 4.371 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.591 2.932 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.650 2.747 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.353 3.707 -5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.172 5.086 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.957 5.945 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.656 6.475 -4.683 1.00 0.00 H new ATOM 894 N LYS A 65 -6.838 8.551 -8.357 1.00 0.00 N ATOM 895 CA LYS A 65 -6.317 9.374 -9.441 1.00 0.00 C ATOM 896 C LYS A 65 -4.803 9.528 -9.325 1.00 0.00 C ATOM 897 O LYS A 65 -4.197 9.078 -8.352 1.00 0.00 O ATOM 898 CB LYS A 65 -6.985 10.752 -9.430 1.00 0.00 C ATOM 899 CG LYS A 65 -8.122 10.884 -10.431 1.00 0.00 C ATOM 900 CD LYS A 65 -9.458 10.515 -9.808 1.00 0.00 C ATOM 901 CE LYS A 65 -10.595 10.649 -10.807 1.00 0.00 C ATOM 902 NZ LYS A 65 -11.610 9.573 -10.643 1.00 0.00 N ATOM 0 H LYS A 65 -6.725 8.957 -7.428 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.543 8.877 -10.384 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.367 10.953 -8.429 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.234 11.513 -9.643 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.163 11.908 -10.803 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.929 10.240 -11.289 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.417 9.491 -9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.650 11.158 -8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.073 11.621 -10.684 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.193 10.618 -11.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.368 9.701 -11.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.160 8.646 -10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.012 9.618 -9.685 1.00 0.00 H new ATOM 916 N VAL A 66 -4.198 10.164 -10.322 1.00 0.00 N ATOM 917 CA VAL A 66 -2.755 10.374 -10.328 1.00 0.00 C ATOM 918 C VAL A 66 -2.364 11.524 -9.407 1.00 0.00 C ATOM 919 O VAL A 66 -3.003 12.576 -9.404 1.00 0.00 O ATOM 920 CB VAL A 66 -2.235 10.668 -11.748 1.00 0.00 C ATOM 921 CG1 VAL A 66 -2.453 9.466 -12.656 1.00 0.00 C ATOM 922 CG2 VAL A 66 -2.905 11.908 -12.321 1.00 0.00 C ATOM 0 H VAL A 66 -4.683 10.543 -11.135 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.300 9.452 -9.967 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.164 10.860 -11.688 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.080 9.692 -13.655 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.918 8.605 -12.255 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.518 9.239 -12.709 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.523 12.097 -13.324 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.983 11.751 -12.367 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.690 12.765 -11.683 1.00 0.00 H new ATOM 932 N GLY A 67 -1.310 11.316 -8.624 1.00 0.00 N ATOM 933 CA GLY A 67 -0.850 12.343 -7.708 1.00 0.00 C ATOM 934 C GLY A 67 -0.935 11.908 -6.258 1.00 0.00 C ATOM 935 O GLY A 67 -0.205 12.416 -5.407 1.00 0.00 O ATOM 0 H GLY A 67 -0.766 10.453 -8.608 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.182 12.602 -7.946 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.446 13.245 -7.849 1.00 0.00 H new ATOM 939 N ASP A 68 -1.830 10.966 -5.974 1.00 0.00 N ATOM 940 CA ASP A 68 -2.008 10.463 -4.617 1.00 0.00 C ATOM 941 C ASP A 68 -0.700 9.907 -4.062 1.00 0.00 C ATOM 942 O ASP A 68 0.160 9.450 -4.816 1.00 0.00 O ATOM 943 CB ASP A 68 -3.088 9.380 -4.589 1.00 0.00 C ATOM 944 CG ASP A 68 -4.486 9.960 -4.518 1.00 0.00 C ATOM 945 OD1 ASP A 68 -4.787 10.667 -3.533 1.00 0.00 O ATOM 946 OD2 ASP A 68 -5.281 9.708 -5.448 1.00 0.00 O ATOM 0 H ASP A 68 -2.443 10.536 -6.666 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.321 11.297 -3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.000 8.760 -5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.924 8.729 -3.730 1.00 0.00 H new ATOM 951 N GLN A 69 -0.557 9.950 -2.742 1.00 0.00 N ATOM 952 CA GLN A 69 0.646 9.451 -2.085 1.00 0.00 C ATOM 953 C GLN A 69 0.319 8.275 -1.171 1.00 0.00 C ATOM 954 O GLN A 69 -0.369 8.433 -0.163 1.00 0.00 O ATOM 955 CB GLN A 69 1.314 10.567 -1.279 1.00 0.00 C ATOM 956 CG GLN A 69 2.776 10.299 -0.963 1.00 0.00 C ATOM 957 CD GLN A 69 2.968 9.646 0.391 1.00 0.00 C ATOM 958 OE1 GLN A 69 3.058 10.325 1.414 1.00 0.00 O ATOM 959 NE2 GLN A 69 3.033 8.319 0.405 1.00 0.00 N ATOM 0 H GLN A 69 -1.260 10.326 -2.105 1.00 0.00 H new ATOM 0 HA GLN A 69 1.335 9.108 -2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.237 11.501 -1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.769 10.706 -0.345 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.199 9.657 -1.735 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.328 11.238 -0.991 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.954 7.795 -0.467 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.162 7.824 1.287 1.00 0.00 H new ATOM 968 N ILE A 70 0.817 7.097 -1.531 1.00 0.00 N ATOM 969 CA ILE A 70 0.577 5.894 -0.742 1.00 0.00 C ATOM 970 C ILE A 70 1.385 5.915 0.551 1.00 0.00 C ATOM 971 O ILE A 70 2.591 5.670 0.545 1.00 0.00 O ATOM 972 CB ILE A 70 0.932 4.621 -1.536 1.00 0.00 C ATOM 973 CG1 ILE A 70 0.270 4.652 -2.914 1.00 0.00 C ATOM 974 CG2 ILE A 70 0.507 3.380 -0.765 1.00 0.00 C ATOM 975 CD1 ILE A 70 0.688 3.506 -3.811 1.00 0.00 C ATOM 0 H ILE A 70 1.389 6.949 -2.363 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.486 5.879 -0.503 1.00 0.00 H new ATOM 0 HB ILE A 70 2.013 4.586 -1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.813 4.629 -2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.514 5.594 -3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.764 2.489 -1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.022 3.354 0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.570 3.406 -0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.180 3.592 -4.771 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.766 3.540 -3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.419 2.560 -3.342 1.00 0.00 H new ATOM 987 N LEU A 71 0.711 6.211 1.658 1.00 0.00 N ATOM 988 CA LEU A 71 1.366 6.264 2.960 1.00 0.00 C ATOM 989 C LEU A 71 1.689 4.862 3.464 1.00 0.00 C ATOM 990 O LEU A 71 2.759 4.625 4.026 1.00 0.00 O ATOM 991 CB LEU A 71 0.477 6.990 3.971 1.00 0.00 C ATOM 992 CG LEU A 71 -0.073 8.337 3.500 1.00 0.00 C ATOM 993 CD1 LEU A 71 -1.236 8.775 4.377 1.00 0.00 C ATOM 994 CD2 LEU A 71 1.025 9.391 3.503 1.00 0.00 C ATOM 0 H LEU A 71 -0.288 6.418 1.679 1.00 0.00 H new ATOM 0 HA LEU A 71 2.300 6.814 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.361 6.342 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.048 7.148 4.886 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.437 8.222 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.614 9.735 4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.031 8.031 4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.897 8.873 5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.616 10.343 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.419 9.503 4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.827 9.082 2.833 1.00 0.00 H new ATOM 1006 N GLU A 72 0.759 3.935 3.260 1.00 0.00 N ATOM 1007 CA GLU A 72 0.946 2.556 3.695 1.00 0.00 C ATOM 1008 C GLU A 72 -0.065 1.631 3.024 1.00 0.00 C ATOM 1009 O GLU A 72 -1.072 2.085 2.480 1.00 0.00 O ATOM 1010 CB GLU A 72 0.815 2.456 5.215 1.00 0.00 C ATOM 1011 CG GLU A 72 -0.550 2.874 5.737 1.00 0.00 C ATOM 1012 CD GLU A 72 -0.515 4.202 6.467 1.00 0.00 C ATOM 1013 OE1 GLU A 72 0.517 4.502 7.103 1.00 0.00 O ATOM 1014 OE2 GLU A 72 -1.519 4.942 6.404 1.00 0.00 O ATOM 0 H GLU A 72 -0.132 4.114 2.796 1.00 0.00 H new ATOM 0 HA GLU A 72 1.948 2.243 3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.013 1.429 5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.579 3.080 5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.249 2.941 4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.929 2.104 6.409 1.00 0.00 H new ATOM 1021 N VAL A 73 0.212 0.332 3.066 1.00 0.00 N ATOM 1022 CA VAL A 73 -0.673 -0.658 2.464 1.00 0.00 C ATOM 1023 C VAL A 73 -0.687 -1.949 3.275 1.00 0.00 C ATOM 1024 O VAL A 73 0.357 -2.552 3.519 1.00 0.00 O ATOM 1025 CB VAL A 73 -0.254 -0.980 1.017 1.00 0.00 C ATOM 1026 CG1 VAL A 73 -1.297 -1.856 0.341 1.00 0.00 C ATOM 1027 CG2 VAL A 73 -0.031 0.302 0.228 1.00 0.00 C ATOM 0 H VAL A 73 1.042 -0.060 3.511 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.673 -0.225 2.458 1.00 0.00 H new ATOM 0 HB VAL A 73 0.686 -1.531 1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.984 -2.073 -0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.402 -2.789 0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.254 -1.335 0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.264 0.055 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.954 0.882 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.756 0.889 0.702 1.00 0.00 H new ATOM 1037 N ASN A 74 -1.878 -2.367 3.691 1.00 0.00 N ATOM 1038 CA ASN A 74 -2.029 -3.587 4.476 1.00 0.00 C ATOM 1039 C ASN A 74 -1.253 -3.490 5.787 1.00 0.00 C ATOM 1040 O ASN A 74 -0.768 -4.493 6.309 1.00 0.00 O ATOM 1041 CB ASN A 74 -1.547 -4.797 3.674 1.00 0.00 C ATOM 1042 CG ASN A 74 -2.525 -5.195 2.586 1.00 0.00 C ATOM 1043 OD1 ASN A 74 -3.683 -5.511 2.861 1.00 0.00 O ATOM 1044 ND2 ASN A 74 -2.064 -5.179 1.341 1.00 0.00 N ATOM 0 H ASN A 74 -2.753 -1.879 3.498 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.087 -3.711 4.708 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.580 -4.570 3.225 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.395 -5.640 4.349 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.677 -5.435 0.567 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.097 -4.911 1.159 1.00 0.00 H new ATOM 1051 N GLY A 75 -1.141 -2.274 6.313 1.00 0.00 N ATOM 1052 CA GLY A 75 -0.424 -2.068 7.557 1.00 0.00 C ATOM 1053 C GLY A 75 1.079 -2.103 7.373 1.00 0.00 C ATOM 1054 O GLY A 75 1.811 -2.534 8.264 1.00 0.00 O ATOM 0 H GLY A 75 -1.534 -1.428 5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.712 -1.107 7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.717 -2.836 8.273 1.00 0.00 H new ATOM 1058 N ARG A 76 1.542 -1.649 6.213 1.00 0.00 N ATOM 1059 CA ARG A 76 2.970 -1.629 5.912 1.00 0.00 C ATOM 1060 C ARG A 76 3.415 -0.236 5.483 1.00 0.00 C ATOM 1061 O ARG A 76 2.782 0.397 4.638 1.00 0.00 O ATOM 1062 CB ARG A 76 3.294 -2.643 4.813 1.00 0.00 C ATOM 1063 CG ARG A 76 4.786 -2.856 4.604 1.00 0.00 C ATOM 1064 CD ARG A 76 5.198 -4.284 4.923 1.00 0.00 C ATOM 1065 NE ARG A 76 6.345 -4.713 4.127 1.00 0.00 N ATOM 1066 CZ ARG A 76 6.685 -5.987 3.942 1.00 0.00 C ATOM 1067 NH1 ARG A 76 5.970 -6.958 4.496 1.00 0.00 N ATOM 1068 NH2 ARG A 76 7.743 -6.291 3.203 1.00 0.00 N ATOM 0 H ARG A 76 0.949 -1.290 5.465 1.00 0.00 H new ATOM 0 HA ARG A 76 3.512 -1.900 6.818 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.830 -3.597 5.062 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.848 -2.307 3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.046 -2.624 3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.345 -2.166 5.236 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.442 -4.363 5.982 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.358 -4.954 4.739 1.00 0.00 H new ATOM 0 HE ARG A 76 6.919 -3.994 3.687 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.156 -6.730 5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.235 -7.932 4.351 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.297 -5.549 2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.003 -7.267 3.062 1.00 0.00 H new ATOM 1082 N SER A 77 4.511 0.236 6.070 1.00 0.00 N ATOM 1083 CA SER A 77 5.043 1.555 5.747 1.00 0.00 C ATOM 1084 C SER A 77 5.578 1.592 4.319 1.00 0.00 C ATOM 1085 O SER A 77 6.515 0.870 3.978 1.00 0.00 O ATOM 1086 CB SER A 77 6.151 1.935 6.731 1.00 0.00 C ATOM 1087 OG SER A 77 5.723 1.770 8.071 1.00 0.00 O ATOM 0 H SER A 77 5.047 -0.275 6.771 1.00 0.00 H new ATOM 0 HA SER A 77 4.231 2.277 5.829 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.031 1.318 6.549 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.448 2.971 6.566 1.00 0.00 H new ATOM 0 HG SER A 77 6.450 2.018 8.680 1.00 0.00 H new ATOM 1093 N PHE A 78 4.976 2.436 3.489 1.00 0.00 N ATOM 1094 CA PHE A 78 5.394 2.567 2.097 1.00 0.00 C ATOM 1095 C PHE A 78 6.228 3.828 1.894 1.00 0.00 C ATOM 1096 O PHE A 78 6.043 4.559 0.921 1.00 0.00 O ATOM 1097 CB PHE A 78 4.170 2.594 1.178 1.00 0.00 C ATOM 1098 CG PHE A 78 3.739 1.232 0.713 1.00 0.00 C ATOM 1099 CD1 PHE A 78 3.617 0.184 1.611 1.00 0.00 C ATOM 1100 CD2 PHE A 78 3.456 1.000 -0.624 1.00 0.00 C ATOM 1101 CE1 PHE A 78 3.221 -1.069 1.186 1.00 0.00 C ATOM 1102 CE2 PHE A 78 3.060 -0.252 -1.054 1.00 0.00 C ATOM 1103 CZ PHE A 78 2.942 -1.288 -0.149 1.00 0.00 C ATOM 0 H PHE A 78 4.198 3.039 3.755 1.00 0.00 H new ATOM 0 HA PHE A 78 6.011 1.704 1.845 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.341 3.069 1.704 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.392 3.213 0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.834 0.349 2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.546 1.806 -1.337 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.130 -1.877 1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.843 -0.420 -2.098 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.632 -2.267 -0.484 1.00 0.00 H new ATOM 1113 N LEU A 79 7.147 4.078 2.821 1.00 0.00 N ATOM 1114 CA LEU A 79 8.010 5.250 2.745 1.00 0.00 C ATOM 1115 C LEU A 79 9.396 4.874 2.230 1.00 0.00 C ATOM 1116 O LEU A 79 9.918 5.500 1.308 1.00 0.00 O ATOM 1117 CB LEU A 79 8.127 5.915 4.117 1.00 0.00 C ATOM 1118 CG LEU A 79 6.849 6.587 4.623 1.00 0.00 C ATOM 1119 CD1 LEU A 79 6.870 6.703 6.139 1.00 0.00 C ATOM 1120 CD2 LEU A 79 6.682 7.959 3.984 1.00 0.00 C ATOM 0 H LEU A 79 7.313 3.484 3.634 1.00 0.00 H new ATOM 0 HA LEU A 79 7.561 5.954 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.436 5.163 4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.920 6.662 4.075 1.00 0.00 H new ATOM 0 HG LEU A 79 5.998 5.968 4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.953 7.183 6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.944 5.709 6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.728 7.300 6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.768 8.424 4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.537 8.585 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.621 7.851 2.901 1.00 0.00 H new ATOM 1132 N ASN A 80 9.986 3.847 2.832 1.00 0.00 N ATOM 1133 CA ASN A 80 11.312 3.386 2.434 1.00 0.00 C ATOM 1134 C ASN A 80 11.237 2.011 1.779 1.00 0.00 C ATOM 1135 O ASN A 80 12.160 1.204 1.898 1.00 0.00 O ATOM 1136 CB ASN A 80 12.242 3.336 3.648 1.00 0.00 C ATOM 1137 CG ASN A 80 11.636 2.575 4.810 1.00 0.00 C ATOM 1138 OD1 ASN A 80 11.165 3.171 5.779 1.00 0.00 O ATOM 1139 ND2 ASN A 80 11.645 1.251 4.719 1.00 0.00 N ATOM 0 H ASN A 80 9.568 3.318 3.597 1.00 0.00 H new ATOM 0 HA ASN A 80 11.712 4.093 1.707 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.183 2.867 3.362 1.00 0.00 H new ATOM 0 HB3 ASN A 80 12.476 4.352 3.965 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.251 0.685 5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.046 0.799 3.897 1.00 0.00 H new ATOM 1146 N ILE A 81 10.132 1.749 1.088 1.00 0.00 N ATOM 1147 CA ILE A 81 9.938 0.471 0.415 1.00 0.00 C ATOM 1148 C ILE A 81 10.520 0.500 -0.996 1.00 0.00 C ATOM 1149 O ILE A 81 10.612 1.557 -1.618 1.00 0.00 O ATOM 1150 CB ILE A 81 8.443 0.097 0.341 1.00 0.00 C ATOM 1151 CG1 ILE A 81 8.270 -1.299 -0.265 1.00 0.00 C ATOM 1152 CG2 ILE A 81 7.673 1.131 -0.469 1.00 0.00 C ATOM 1153 CD1 ILE A 81 6.992 -1.987 0.160 1.00 0.00 C ATOM 0 H ILE A 81 9.358 2.405 0.980 1.00 0.00 H new ATOM 0 HA ILE A 81 10.462 -0.282 1.003 1.00 0.00 H new ATOM 0 HB ILE A 81 8.040 0.085 1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.286 -1.219 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.120 -1.919 0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.621 0.851 -0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.770 2.109 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 81 8.077 1.175 -1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.936 -2.970 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.982 -2.099 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.136 -1.388 -0.151 1.00 0.00 H new ATOM 1165 N LEU A 82 10.911 -0.669 -1.493 1.00 0.00 N ATOM 1166 CA LEU A 82 11.484 -0.778 -2.830 1.00 0.00 C ATOM 1167 C LEU A 82 10.401 -0.656 -3.897 1.00 0.00 C ATOM 1168 O LEU A 82 9.251 -1.034 -3.674 1.00 0.00 O ATOM 1169 CB LEU A 82 12.222 -2.110 -2.984 1.00 0.00 C ATOM 1170 CG LEU A 82 13.561 -2.197 -2.251 1.00 0.00 C ATOM 1171 CD1 LEU A 82 14.070 -3.630 -2.239 1.00 0.00 C ATOM 1172 CD2 LEU A 82 14.582 -1.272 -2.897 1.00 0.00 C ATOM 0 H LEU A 82 10.842 -1.554 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 82 12.193 0.039 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.575 -2.910 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.393 -2.292 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 82 13.411 -1.878 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.024 -3.673 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.347 -4.269 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.205 -3.977 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.529 -1.346 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.728 -1.562 -3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.221 -0.245 -2.854 1.00 0.00 H new ATOM 1184 N HIS A 83 10.778 -0.128 -5.057 1.00 0.00 N ATOM 1185 CA HIS A 83 9.838 0.044 -6.160 1.00 0.00 C ATOM 1186 C HIS A 83 9.310 -1.304 -6.638 1.00 0.00 C ATOM 1187 O HIS A 83 8.146 -1.425 -7.021 1.00 0.00 O ATOM 1188 CB HIS A 83 10.510 0.783 -7.318 1.00 0.00 C ATOM 1189 CG HIS A 83 9.564 1.154 -8.417 1.00 0.00 C ATOM 1190 ND1 HIS A 83 8.508 2.023 -8.242 1.00 0.00 N ATOM 1191 CD2 HIS A 83 9.518 0.768 -9.715 1.00 0.00 C ATOM 1192 CE1 HIS A 83 7.854 2.155 -9.382 1.00 0.00 C ATOM 1193 NE2 HIS A 83 8.447 1.405 -10.292 1.00 0.00 N ATOM 0 H HIS A 83 11.727 0.188 -5.258 1.00 0.00 H new ATOM 0 HA HIS A 83 8.996 0.636 -5.800 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.983 1.687 -6.936 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.303 0.157 -7.727 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.197 0.086 -10.205 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.982 2.772 -9.542 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.157 1.313 -11.266 1.00 0.00 H new ATOM 1202 N ASP A 84 10.173 -2.315 -6.615 1.00 0.00 N ATOM 1203 CA ASP A 84 9.792 -3.655 -7.047 1.00 0.00 C ATOM 1204 C ASP A 84 8.899 -4.327 -6.011 1.00 0.00 C ATOM 1205 O ASP A 84 7.989 -5.082 -6.355 1.00 0.00 O ATOM 1206 CB ASP A 84 11.039 -4.507 -7.292 1.00 0.00 C ATOM 1207 CG ASP A 84 11.818 -4.055 -8.512 1.00 0.00 C ATOM 1208 OD1 ASP A 84 11.189 -3.542 -9.461 1.00 0.00 O ATOM 1209 OD2 ASP A 84 13.057 -4.213 -8.517 1.00 0.00 O ATOM 0 H ASP A 84 11.140 -2.232 -6.302 1.00 0.00 H new ATOM 0 HA ASP A 84 9.233 -3.565 -7.978 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.685 -4.462 -6.415 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.745 -5.549 -7.418 1.00 0.00 H new ATOM 1214 N GLU A 85 9.165 -4.049 -4.738 1.00 0.00 N ATOM 1215 CA GLU A 85 8.385 -4.627 -3.650 1.00 0.00 C ATOM 1216 C GLU A 85 6.969 -4.061 -3.635 1.00 0.00 C ATOM 1217 O GLU A 85 6.016 -4.754 -3.277 1.00 0.00 O ATOM 1218 CB GLU A 85 9.068 -4.359 -2.307 1.00 0.00 C ATOM 1219 CG GLU A 85 8.838 -5.454 -1.278 1.00 0.00 C ATOM 1220 CD GLU A 85 9.748 -5.323 -0.074 1.00 0.00 C ATOM 1221 OE1 GLU A 85 10.216 -4.196 0.197 1.00 0.00 O ATOM 1222 OE2 GLU A 85 9.995 -6.346 0.599 1.00 0.00 O ATOM 0 H GLU A 85 9.915 -3.427 -4.435 1.00 0.00 H new ATOM 0 HA GLU A 85 8.325 -5.703 -3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.140 -4.245 -2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.704 -3.413 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.799 -5.425 -0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.998 -6.426 -1.745 1.00 0.00 H new ATOM 1229 N ALA A 86 6.838 -2.797 -4.025 1.00 0.00 N ATOM 1230 CA ALA A 86 5.538 -2.138 -4.055 1.00 0.00 C ATOM 1231 C ALA A 86 4.616 -2.789 -5.081 1.00 0.00 C ATOM 1232 O ALA A 86 3.448 -3.057 -4.799 1.00 0.00 O ATOM 1233 CB ALA A 86 5.705 -0.657 -4.358 1.00 0.00 C ATOM 0 H ALA A 86 7.616 -2.209 -4.324 1.00 0.00 H new ATOM 0 HA ALA A 86 5.080 -2.248 -3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.727 -0.177 -4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.321 -0.195 -3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.188 -0.536 -5.328 1.00 0.00 H new ATOM 1239 N VAL A 87 5.148 -3.040 -6.273 1.00 0.00 N ATOM 1240 CA VAL A 87 4.373 -3.660 -7.340 1.00 0.00 C ATOM 1241 C VAL A 87 4.114 -5.133 -7.045 1.00 0.00 C ATOM 1242 O VAL A 87 3.022 -5.644 -7.290 1.00 0.00 O ATOM 1243 CB VAL A 87 5.088 -3.539 -8.699 1.00 0.00 C ATOM 1244 CG1 VAL A 87 4.196 -4.044 -9.822 1.00 0.00 C ATOM 1245 CG2 VAL A 87 5.512 -2.098 -8.955 1.00 0.00 C ATOM 0 H VAL A 87 6.113 -2.823 -6.524 1.00 0.00 H new ATOM 0 HA VAL A 87 3.423 -3.128 -7.390 1.00 0.00 H new ATOM 0 HB VAL A 87 5.984 -4.159 -8.671 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.720 -3.950 -10.773 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.948 -5.091 -9.647 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.280 -3.454 -9.852 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.015 -2.033 -9.920 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.632 -1.455 -8.961 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.193 -1.774 -8.168 1.00 0.00 H new ATOM 1255 N ARG A 88 5.128 -5.812 -6.516 1.00 0.00 N ATOM 1256 CA ARG A 88 5.012 -7.226 -6.186 1.00 0.00 C ATOM 1257 C ARG A 88 4.104 -7.431 -4.978 1.00 0.00 C ATOM 1258 O ARG A 88 3.420 -8.448 -4.868 1.00 0.00 O ATOM 1259 CB ARG A 88 6.395 -7.818 -5.907 1.00 0.00 C ATOM 1260 CG ARG A 88 6.530 -9.272 -6.326 1.00 0.00 C ATOM 1261 CD ARG A 88 7.913 -9.568 -6.885 1.00 0.00 C ATOM 1262 NE ARG A 88 8.841 -10.015 -5.847 1.00 0.00 N ATOM 1263 CZ ARG A 88 9.645 -9.201 -5.162 1.00 0.00 C ATOM 1264 NH1 ARG A 88 9.641 -7.894 -5.394 1.00 0.00 N ATOM 1265 NH2 ARG A 88 10.457 -9.699 -4.240 1.00 0.00 N ATOM 0 H ARG A 88 6.039 -5.404 -6.307 1.00 0.00 H new ATOM 0 HA ARG A 88 4.569 -7.739 -7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.146 -7.227 -6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.609 -7.734 -4.841 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.338 -9.917 -5.469 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.776 -9.506 -7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.836 -10.334 -7.656 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.309 -8.673 -7.364 1.00 0.00 H new ATOM 0 HE ARG A 88 8.875 -11.012 -5.634 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.019 -7.504 -6.102 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.260 -7.280 -4.864 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.466 -10.702 -4.056 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.073 -9.079 -3.714 1.00 0.00 H new ATOM 1279 N LEU A 89 4.101 -6.457 -4.073 1.00 0.00 N ATOM 1280 CA LEU A 89 3.277 -6.530 -2.873 1.00 0.00 C ATOM 1281 C LEU A 89 1.837 -6.128 -3.177 1.00 0.00 C ATOM 1282 O LEU A 89 0.896 -6.655 -2.583 1.00 0.00 O ATOM 1283 CB LEU A 89 3.850 -5.628 -1.779 1.00 0.00 C ATOM 1284 CG LEU A 89 3.184 -5.769 -0.409 1.00 0.00 C ATOM 1285 CD1 LEU A 89 3.231 -7.215 0.062 1.00 0.00 C ATOM 1286 CD2 LEU A 89 3.854 -4.855 0.605 1.00 0.00 C ATOM 0 H LEU A 89 4.661 -5.608 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 89 3.281 -7.562 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.913 -5.842 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.764 -4.591 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 89 2.139 -5.473 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.753 -7.295 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.705 -7.848 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.269 -7.539 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.368 -4.968 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.907 -5.121 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.768 -3.820 0.274 1.00 0.00 H new ATOM 1298 N LEU A 90 1.673 -5.193 -4.107 1.00 0.00 N ATOM 1299 CA LEU A 90 0.347 -4.721 -4.491 1.00 0.00 C ATOM 1300 C LEU A 90 -0.358 -5.741 -5.378 1.00 0.00 C ATOM 1301 O LEU A 90 -1.581 -5.876 -5.335 1.00 0.00 O ATOM 1302 CB LEU A 90 0.452 -3.380 -5.219 1.00 0.00 C ATOM 1303 CG LEU A 90 0.572 -2.156 -4.310 1.00 0.00 C ATOM 1304 CD1 LEU A 90 0.999 -0.936 -5.110 1.00 0.00 C ATOM 1305 CD2 LEU A 90 -0.745 -1.894 -3.596 1.00 0.00 C ATOM 0 H LEU A 90 2.441 -4.747 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.242 -4.589 -3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.319 -3.409 -5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.427 -3.258 -5.852 1.00 0.00 H new ATOM 0 HG LEU A 90 1.337 -2.357 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.079 -0.075 -4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.966 -1.126 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.259 -0.730 -5.883 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.643 -1.020 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.528 -1.713 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.009 -2.761 -2.990 1.00 0.00 H new ATOM 1317 N LYS A 91 0.421 -6.457 -6.183 1.00 0.00 N ATOM 1318 CA LYS A 91 -0.128 -7.467 -7.080 1.00 0.00 C ATOM 1319 C LYS A 91 0.237 -8.871 -6.608 1.00 0.00 C ATOM 1320 O LYS A 91 1.045 -9.557 -7.234 1.00 0.00 O ATOM 1321 CB LYS A 91 0.381 -7.243 -8.506 1.00 0.00 C ATOM 1322 CG LYS A 91 0.355 -5.788 -8.943 1.00 0.00 C ATOM 1323 CD LYS A 91 -1.036 -5.189 -8.804 1.00 0.00 C ATOM 1324 CE LYS A 91 -1.207 -3.966 -9.691 1.00 0.00 C ATOM 1325 NZ LYS A 91 -1.541 -4.339 -11.093 1.00 0.00 N ATOM 0 H LYS A 91 1.435 -6.356 -6.232 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.214 -7.374 -7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.402 -7.617 -8.581 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.225 -7.831 -9.195 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.061 -5.214 -8.343 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.683 -5.712 -9.980 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.784 -5.938 -9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.212 -4.913 -7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.996 -3.332 -9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.289 -3.379 -9.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.745 -4.095 -11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.722 -5.362 -11.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.390 -3.821 -11.397 1.00 0.00 H new ATOM 1339 N SER A 92 -0.364 -9.292 -5.500 1.00 0.00 N ATOM 1340 CA SER A 92 -0.102 -10.614 -4.945 1.00 0.00 C ATOM 1341 C SER A 92 -1.064 -10.925 -3.802 1.00 0.00 C ATOM 1342 O SER A 92 -1.707 -11.973 -3.786 1.00 0.00 O ATOM 1343 CB SER A 92 1.342 -10.705 -4.450 1.00 0.00 C ATOM 1344 OG SER A 92 1.732 -12.053 -4.253 1.00 0.00 O ATOM 0 H SER A 92 -1.035 -8.737 -4.969 1.00 0.00 H new ATOM 0 HA SER A 92 -0.255 -11.349 -5.735 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.007 -10.233 -5.173 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.444 -10.154 -3.515 1.00 0.00 H new ATOM 0 HG SER A 92 2.660 -12.083 -3.938 1.00 0.00 H new ATOM 1350 N SER A 93 -1.155 -10.005 -2.845 1.00 0.00 N ATOM 1351 CA SER A 93 -2.037 -10.182 -1.698 1.00 0.00 C ATOM 1352 C SER A 93 -3.498 -10.022 -2.105 1.00 0.00 C ATOM 1353 O SER A 93 -3.837 -9.156 -2.913 1.00 0.00 O ATOM 1354 CB SER A 93 -1.688 -9.174 -0.601 1.00 0.00 C ATOM 1355 OG SER A 93 -0.686 -9.685 0.261 1.00 0.00 O ATOM 0 H SER A 93 -0.629 -9.131 -2.842 1.00 0.00 H new ATOM 0 HA SER A 93 -1.895 -11.192 -1.314 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.343 -8.244 -1.053 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.582 -8.936 -0.024 1.00 0.00 H new ATOM 0 HG SER A 93 -0.480 -9.022 0.952 1.00 0.00 H new ATOM 1361 N ARG A 94 -4.360 -10.863 -1.540 1.00 0.00 N ATOM 1362 CA ARG A 94 -5.785 -10.814 -1.843 1.00 0.00 C ATOM 1363 C ARG A 94 -6.389 -9.482 -1.409 1.00 0.00 C ATOM 1364 O ARG A 94 -6.714 -8.636 -2.242 1.00 0.00 O ATOM 1365 CB ARG A 94 -6.515 -11.967 -1.151 1.00 0.00 C ATOM 1366 CG ARG A 94 -6.299 -13.313 -1.826 1.00 0.00 C ATOM 1367 CD ARG A 94 -5.073 -14.025 -1.277 1.00 0.00 C ATOM 1368 NE ARG A 94 -5.399 -15.347 -0.745 1.00 0.00 N ATOM 1369 CZ ARG A 94 -5.591 -16.424 -1.504 1.00 0.00 C ATOM 1370 NH1 ARG A 94 -5.490 -16.341 -2.824 1.00 0.00 N ATOM 1371 NH2 ARG A 94 -5.884 -17.587 -0.939 1.00 0.00 N ATOM 0 H ARG A 94 -4.096 -11.586 -0.870 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.904 -10.912 -2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.179 -12.030 -0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.583 -11.749 -1.127 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.179 -13.939 -1.680 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.185 -13.168 -2.900 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.328 -14.126 -2.067 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.624 -13.419 -0.491 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.484 -15.450 0.266 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.264 -15.448 -3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -5.638 -17.170 -3.400 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.962 -17.656 0.076 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.031 -18.413 -1.519 1.00 0.00 H new ATOM 1385 N HIS A 95 -6.534 -9.304 -0.100 1.00 0.00 N ATOM 1386 CA HIS A 95 -7.098 -8.075 0.446 1.00 0.00 C ATOM 1387 C HIS A 95 -6.053 -6.965 0.478 1.00 0.00 C ATOM 1388 O HIS A 95 -4.983 -7.123 1.066 1.00 0.00 O ATOM 1389 CB HIS A 95 -7.643 -8.321 1.853 1.00 0.00 C ATOM 1390 CG HIS A 95 -8.700 -7.343 2.265 1.00 0.00 C ATOM 1391 ND1 HIS A 95 -9.737 -7.667 3.113 1.00 0.00 N ATOM 1392 CD2 HIS A 95 -8.877 -6.040 1.940 1.00 0.00 C ATOM 1393 CE1 HIS A 95 -10.506 -6.608 3.293 1.00 0.00 C ATOM 1394 NE2 HIS A 95 -10.005 -5.608 2.592 1.00 0.00 N ATOM 0 H HIS A 95 -6.269 -9.995 0.602 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.916 -7.760 -0.202 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -8.053 -9.330 1.904 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.820 -8.275 2.566 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -9.887 -8.583 3.536 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.248 -5.451 1.289 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -11.393 -6.567 3.908 1.00 0.00 H new ATOM 1403 N LEU A 96 -6.369 -5.841 -0.157 1.00 0.00 N ATOM 1404 CA LEU A 96 -5.457 -4.704 -0.200 1.00 0.00 C ATOM 1405 C LEU A 96 -6.121 -3.452 0.362 1.00 0.00 C ATOM 1406 O LEU A 96 -7.207 -3.066 -0.069 1.00 0.00 O ATOM 1407 CB LEU A 96 -4.996 -4.448 -1.636 1.00 0.00 C ATOM 1408 CG LEU A 96 -4.496 -5.684 -2.386 1.00 0.00 C ATOM 1409 CD1 LEU A 96 -4.214 -5.348 -3.842 1.00 0.00 C ATOM 1410 CD2 LEU A 96 -3.252 -6.247 -1.716 1.00 0.00 C ATOM 0 H LEU A 96 -7.250 -5.693 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.590 -4.942 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.824 -4.013 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.198 -3.705 -1.618 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.277 -6.444 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.859 -6.240 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.128 -4.993 -4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.452 -4.571 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.910 -7.126 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.466 -5.492 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.487 -6.527 -0.689 1.00 0.00 H new ATOM 1422 N ILE A 97 -5.461 -2.822 1.329 1.00 0.00 N ATOM 1423 CA ILE A 97 -5.986 -1.613 1.951 1.00 0.00 C ATOM 1424 C ILE A 97 -4.938 -0.507 1.978 1.00 0.00 C ATOM 1425 O ILE A 97 -4.089 -0.463 2.869 1.00 0.00 O ATOM 1426 CB ILE A 97 -6.466 -1.884 3.390 1.00 0.00 C ATOM 1427 CG1 ILE A 97 -7.369 -3.118 3.427 1.00 0.00 C ATOM 1428 CG2 ILE A 97 -7.196 -0.670 3.944 1.00 0.00 C ATOM 1429 CD1 ILE A 97 -6.633 -4.396 3.765 1.00 0.00 C ATOM 0 H ILE A 97 -4.561 -3.129 1.698 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.834 -1.291 1.347 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.595 -2.076 4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.159 -2.958 4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.853 -3.233 2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.528 -0.878 4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.523 0.188 3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -8.060 -0.448 3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.336 -5.229 3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.861 -4.580 3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.171 -4.301 4.748 1.00 0.00 H new ATOM 1441 N LEU A 98 -5.000 0.385 0.995 1.00 0.00 N ATOM 1442 CA LEU A 98 -4.054 1.492 0.905 1.00 0.00 C ATOM 1443 C LEU A 98 -4.521 2.676 1.746 1.00 0.00 C ATOM 1444 O LEU A 98 -5.682 2.745 2.150 1.00 0.00 O ATOM 1445 CB LEU A 98 -3.879 1.924 -0.551 1.00 0.00 C ATOM 1446 CG LEU A 98 -3.130 0.929 -1.438 1.00 0.00 C ATOM 1447 CD1 LEU A 98 -4.052 -0.201 -1.868 1.00 0.00 C ATOM 1448 CD2 LEU A 98 -2.544 1.632 -2.653 1.00 0.00 C ATOM 0 H LEU A 98 -5.695 0.363 0.249 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.095 1.149 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.864 2.101 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.347 2.875 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.310 0.503 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.502 -0.899 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.423 -0.723 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.893 0.209 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.015 0.908 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.347 2.087 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.850 2.406 -2.326 1.00 0.00 H new ATOM 1460 N THR A 99 -3.608 3.606 2.007 1.00 0.00 N ATOM 1461 CA THR A 99 -3.926 4.787 2.801 1.00 0.00 C ATOM 1462 C THR A 99 -3.287 6.035 2.199 1.00 0.00 C ATOM 1463 O THR A 99 -2.219 6.469 2.633 1.00 0.00 O ATOM 1464 CB THR A 99 -3.449 4.602 4.242 1.00 0.00 C ATOM 1465 OG1 THR A 99 -3.969 3.404 4.792 1.00 0.00 O ATOM 1466 CG2 THR A 99 -3.853 5.739 5.157 1.00 0.00 C ATOM 0 H THR A 99 -2.643 3.565 1.680 1.00 0.00 H new ATOM 0 HA THR A 99 -5.008 4.916 2.797 1.00 0.00 H new ATOM 0 HB THR A 99 -2.361 4.572 4.184 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.652 3.302 5.714 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.483 5.545 6.164 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.427 6.672 4.788 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.940 5.820 5.179 1.00 0.00 H new ATOM 1474 N VAL A 100 -3.946 6.607 1.196 1.00 0.00 N ATOM 1475 CA VAL A 100 -3.442 7.804 0.535 1.00 0.00 C ATOM 1476 C VAL A 100 -4.030 9.066 1.159 1.00 0.00 C ATOM 1477 O VAL A 100 -5.030 9.008 1.875 1.00 0.00 O ATOM 1478 CB VAL A 100 -3.764 7.792 -0.970 1.00 0.00 C ATOM 1479 CG1 VAL A 100 -2.937 6.735 -1.686 1.00 0.00 C ATOM 1480 CG2 VAL A 100 -5.250 7.561 -1.197 1.00 0.00 C ATOM 0 H VAL A 100 -4.830 6.260 0.824 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.360 7.806 0.668 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.504 8.766 -1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.179 6.742 -2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.877 6.951 -1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.162 5.753 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.458 7.556 -2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.539 6.602 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.819 8.359 -0.721 1.00 0.00 H new ATOM 1490 N LYS A 101 -3.403 10.205 0.882 1.00 0.00 N ATOM 1491 CA LYS A 101 -3.864 11.481 1.415 1.00 0.00 C ATOM 1492 C LYS A 101 -4.292 12.418 0.290 1.00 0.00 C ATOM 1493 O LYS A 101 -3.830 12.293 -0.844 1.00 0.00 O ATOM 1494 CB LYS A 101 -2.762 12.138 2.248 1.00 0.00 C ATOM 1495 CG LYS A 101 -1.424 12.220 1.533 1.00 0.00 C ATOM 1496 CD LYS A 101 -0.695 13.514 1.858 1.00 0.00 C ATOM 1497 CE LYS A 101 0.728 13.501 1.325 1.00 0.00 C ATOM 1498 NZ LYS A 101 1.625 14.387 2.117 1.00 0.00 N ATOM 0 H LYS A 101 -2.574 10.270 0.291 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.727 11.289 2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.078 13.144 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.635 11.577 3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.804 11.370 1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.581 12.150 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.238 14.356 1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.679 13.662 2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.114 12.482 1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.729 13.821 0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.586 14.350 1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.271 15.364 2.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.645 14.066 3.106 1.00 0.00 H new ATOM 1512 N ASP A 102 -5.177 13.355 0.612 1.00 0.00 N ATOM 1513 CA ASP A 102 -5.668 14.314 -0.372 1.00 0.00 C ATOM 1514 C ASP A 102 -4.537 15.205 -0.873 1.00 0.00 C ATOM 1515 O ASP A 102 -4.106 16.127 -0.181 1.00 0.00 O ATOM 1516 CB ASP A 102 -6.781 15.172 0.233 1.00 0.00 C ATOM 1517 CG ASP A 102 -6.312 15.954 1.445 1.00 0.00 C ATOM 1518 OD1 ASP A 102 -6.204 15.352 2.533 1.00 0.00 O ATOM 1519 OD2 ASP A 102 -6.054 17.167 1.305 1.00 0.00 O ATOM 0 H ASP A 102 -5.569 13.471 1.546 1.00 0.00 H new ATOM 0 HA ASP A 102 -6.069 13.757 -1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -7.153 15.865 -0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.616 14.532 0.518 1.00 0.00 H new