USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 488 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 ASN : amide:sc= -2.21! C(o=-2.2!,f=-5.3!) USER MOD Set 1.2: A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -2.68! C(o=-2.7!,f=-3.7!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 48 ASN : amide:sc= -2.89! C(o=-2.9!,f=-3.9!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 30:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0099 K(o=-0.0099,f=-1.3) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0418 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -76:sc= -0.648! USER MOD Single : A 95 GLN : amide:sc= -0.0185 X(o=-0.018,f=0) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -4.953 18.663 10.787 1.00 0.00 N ATOM 145 CA LEU A 13 -4.377 18.357 9.489 1.00 0.00 C ATOM 146 C LEU A 13 -5.343 17.466 8.705 1.00 0.00 C ATOM 147 O LEU A 13 -6.148 16.748 9.294 1.00 0.00 O ATOM 148 CB LEU A 13 -2.980 17.755 9.652 1.00 0.00 C ATOM 149 CG LEU A 13 -1.881 18.721 10.101 1.00 0.00 C ATOM 150 CD1 LEU A 13 -0.815 17.995 10.923 1.00 0.00 C ATOM 151 CD2 LEU A 13 -1.278 19.460 8.904 1.00 0.00 C ATOM 0 HA LEU A 13 -4.240 19.269 8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.039 16.942 10.375 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.683 17.315 8.700 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.331 19.472 10.750 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.046 18.704 11.229 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.275 17.554 11.807 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.363 17.208 10.319 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.500 20.140 9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.847 18.738 8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.058 20.029 8.397 1.00 0.00 H new ATOM 163 N PRO A 14 -5.227 17.545 7.352 1.00 0.00 N ATOM 164 CA PRO A 14 -6.080 16.754 6.481 1.00 0.00 C ATOM 165 C PRO A 14 -5.643 15.288 6.468 1.00 0.00 C ATOM 166 O PRO A 14 -4.490 14.978 6.766 1.00 0.00 O ATOM 167 CB PRO A 14 -5.973 17.418 5.118 1.00 0.00 C ATOM 168 CG PRO A 14 -4.712 18.266 5.165 1.00 0.00 C ATOM 169 CD PRO A 14 -4.284 18.384 6.619 1.00 0.00 C ATOM 0 HA PRO A 14 -7.117 16.729 6.817 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.913 16.673 4.324 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.850 18.033 4.913 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.922 17.808 4.570 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.899 19.252 4.741 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.258 18.042 6.759 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.325 19.418 6.961 1.00 0.00 H new ATOM 177 N ASN A 15 -6.586 14.426 6.120 1.00 0.00 N ATOM 178 CA ASN A 15 -6.313 13.000 6.065 1.00 0.00 C ATOM 179 C ASN A 15 -7.331 12.325 5.143 1.00 0.00 C ATOM 180 O ASN A 15 -8.472 12.772 5.040 1.00 0.00 O ATOM 181 CB ASN A 15 -6.434 12.361 7.450 1.00 0.00 C ATOM 182 CG ASN A 15 -6.054 13.357 8.548 1.00 0.00 C ATOM 183 OD1 ASN A 15 -4.892 13.640 8.790 1.00 0.00 O ATOM 184 ND2 ASN A 15 -7.095 13.871 9.196 1.00 0.00 N ATOM 0 H ASN A 15 -7.541 14.687 5.873 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.297 12.866 5.694 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -7.455 12.014 7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.787 11.486 7.508 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.946 14.546 9.946 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.042 13.591 8.943 1.00 0.00 H new ATOM 191 N ARG A 16 -6.881 11.260 4.496 1.00 0.00 N ATOM 192 CA ARG A 16 -7.738 10.519 3.586 1.00 0.00 C ATOM 193 C ARG A 16 -7.385 9.031 3.617 1.00 0.00 C ATOM 194 O ARG A 16 -6.220 8.663 3.477 1.00 0.00 O ATOM 195 CB ARG A 16 -7.601 11.039 2.154 1.00 0.00 C ATOM 196 CG ARG A 16 -8.552 10.302 1.209 1.00 0.00 C ATOM 197 CD ARG A 16 -10.005 10.702 1.471 1.00 0.00 C ATOM 198 NE ARG A 16 -10.400 11.799 0.559 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.591 12.411 0.593 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.511 12.039 1.493 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.863 13.397 -0.273 1.00 0.00 N ATOM 0 H ARG A 16 -5.934 10.892 4.584 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.768 10.658 3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.814 12.108 2.130 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.573 10.911 1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.290 10.527 0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.438 9.226 1.339 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.659 9.843 1.325 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.122 11.019 2.507 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.723 12.108 -0.139 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.305 11.289 2.153 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.418 12.506 1.518 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.163 13.682 -0.958 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.770 13.863 -0.247 1.00 0.00 H new ATOM 215 N GLN A 17 -8.413 8.215 3.802 1.00 0.00 N ATOM 216 CA GLN A 17 -8.225 6.775 3.853 1.00 0.00 C ATOM 217 C GLN A 17 -9.219 6.077 2.923 1.00 0.00 C ATOM 218 O GLN A 17 -10.309 6.591 2.675 1.00 0.00 O ATOM 219 CB GLN A 17 -8.358 6.256 5.286 1.00 0.00 C ATOM 220 CG GLN A 17 -9.690 6.685 5.904 1.00 0.00 C ATOM 221 CD GLN A 17 -10.146 5.688 6.971 1.00 0.00 C ATOM 222 OE1 GLN A 17 -9.779 5.770 8.132 1.00 0.00 O ATOM 223 NE2 GLN A 17 -10.965 4.744 6.515 1.00 0.00 N ATOM 0 H GLN A 17 -9.378 8.524 3.918 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.216 6.547 3.511 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.285 5.168 5.291 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.534 6.634 5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.587 7.676 6.347 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.448 6.762 5.125 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.233 4.733 5.531 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.325 4.031 7.150 1.00 0.00 H new ATOM 232 N LEU A 18 -8.808 4.917 2.433 1.00 0.00 N ATOM 233 CA LEU A 18 -9.649 4.144 1.535 1.00 0.00 C ATOM 234 C LEU A 18 -9.503 2.656 1.862 1.00 0.00 C ATOM 235 O LEU A 18 -8.573 2.259 2.562 1.00 0.00 O ATOM 236 CB LEU A 18 -9.334 4.486 0.078 1.00 0.00 C ATOM 237 CG LEU A 18 -9.469 5.961 -0.308 1.00 0.00 C ATOM 238 CD1 LEU A 18 -8.210 6.457 -1.023 1.00 0.00 C ATOM 239 CD2 LEU A 18 -10.731 6.197 -1.140 1.00 0.00 C ATOM 0 H LEU A 18 -7.904 4.494 2.641 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.698 4.402 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.315 4.166 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.994 3.901 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.573 6.546 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.331 7.508 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.349 6.345 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.051 5.872 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.803 7.253 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.683 5.601 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.608 5.906 -0.562 1.00 0.00 H new ATOM 251 N LYS A 19 -10.437 1.874 1.340 1.00 0.00 N ATOM 252 CA LYS A 19 -10.424 0.439 1.568 1.00 0.00 C ATOM 253 C LYS A 19 -10.202 -0.282 0.237 1.00 0.00 C ATOM 254 O LYS A 19 -11.113 -0.370 -0.585 1.00 0.00 O ATOM 255 CB LYS A 19 -11.694 0.001 2.300 1.00 0.00 C ATOM 256 CG LYS A 19 -12.916 0.103 1.386 1.00 0.00 C ATOM 257 CD LYS A 19 -13.212 -1.240 0.714 1.00 0.00 C ATOM 258 CE LYS A 19 -14.546 -1.813 1.198 1.00 0.00 C ATOM 259 NZ LYS A 19 -14.969 -2.939 0.336 1.00 0.00 N ATOM 0 H LYS A 19 -11.207 2.207 0.760 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.596 0.165 2.222 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.581 -1.025 2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.842 0.623 3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.782 0.423 1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.743 0.864 0.625 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.239 -1.111 -0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.409 -1.944 0.932 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.450 -2.153 2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.308 -1.034 1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.876 -3.316 0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.080 -2.604 -0.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.249 -3.689 0.366 1.00 0.00 H new ATOM 273 N VAL A 20 -8.986 -0.780 0.065 1.00 0.00 N ATOM 274 CA VAL A 20 -8.633 -1.491 -1.152 1.00 0.00 C ATOM 275 C VAL A 20 -9.048 -2.958 -1.019 1.00 0.00 C ATOM 276 O VAL A 20 -8.381 -3.737 -0.340 1.00 0.00 O ATOM 277 CB VAL A 20 -7.142 -1.316 -1.446 1.00 0.00 C ATOM 278 CG1 VAL A 20 -6.759 -1.996 -2.762 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.756 0.164 -1.460 1.00 0.00 C ATOM 0 H VAL A 20 -8.233 -0.705 0.749 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.170 -1.077 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.583 -1.800 -0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.694 -1.856 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.980 -3.062 -2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.330 -1.555 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.691 0.260 -1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.327 0.682 -2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.975 0.606 -0.488 1.00 0.00 H new ATOM 289 N LYS A 21 -10.148 -3.290 -1.679 1.00 0.00 N ATOM 290 CA LYS A 21 -10.660 -4.649 -1.644 1.00 0.00 C ATOM 291 C LYS A 21 -9.664 -5.583 -2.335 1.00 0.00 C ATOM 292 O LYS A 21 -9.769 -5.830 -3.535 1.00 0.00 O ATOM 293 CB LYS A 21 -12.069 -4.707 -2.237 1.00 0.00 C ATOM 294 CG LYS A 21 -12.046 -4.407 -3.737 1.00 0.00 C ATOM 295 CD LYS A 21 -13.314 -3.668 -4.169 1.00 0.00 C ATOM 296 CE LYS A 21 -13.003 -2.214 -4.533 1.00 0.00 C ATOM 297 NZ LYS A 21 -13.478 -1.301 -3.470 1.00 0.00 N ATOM 0 H LYS A 21 -10.699 -2.641 -2.241 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.758 -4.992 -0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.499 -5.694 -2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.711 -3.988 -1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.170 -3.804 -3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.955 -5.338 -4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.760 -4.174 -5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.048 -3.696 -3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.929 -2.090 -4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.480 -1.960 -5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.259 -0.319 -3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.506 -1.408 -3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.003 -1.534 -2.575 1.00 0.00 H new ATOM 311 N VAL A 22 -8.720 -6.077 -1.547 1.00 0.00 N ATOM 312 CA VAL A 22 -7.706 -6.978 -2.067 1.00 0.00 C ATOM 313 C VAL A 22 -8.280 -8.394 -2.145 1.00 0.00 C ATOM 314 O VAL A 22 -9.480 -8.593 -1.957 1.00 0.00 O ATOM 315 CB VAL A 22 -6.441 -6.892 -1.212 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.024 -5.436 -0.994 1.00 0.00 C ATOM 317 CG2 VAL A 22 -6.632 -7.614 0.124 1.00 0.00 C ATOM 0 H VAL A 22 -8.636 -5.870 -0.552 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.419 -6.687 -3.078 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.637 -7.393 -1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.122 -5.403 -0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.827 -4.966 -1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.826 -4.900 -0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.718 -7.538 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.455 -7.155 0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.859 -8.664 -0.059 1.00 0.00 H new ATOM 643 N GLN A 44 7.654 0.385 -0.160 1.00 0.00 N ATOM 644 CA GLN A 44 7.938 1.586 0.606 1.00 0.00 C ATOM 645 C GLN A 44 8.803 2.546 -0.213 1.00 0.00 C ATOM 646 O GLN A 44 8.540 3.748 -0.247 1.00 0.00 O ATOM 647 CB GLN A 44 8.610 1.241 1.937 1.00 0.00 C ATOM 648 CG GLN A 44 9.938 0.515 1.708 1.00 0.00 C ATOM 649 CD GLN A 44 10.518 0.005 3.029 1.00 0.00 C ATOM 650 OE1 GLN A 44 9.807 -0.353 3.952 1.00 0.00 O ATOM 651 NE2 GLN A 44 11.848 -0.007 3.066 1.00 0.00 N ATOM 0 HA GLN A 44 6.994 2.082 0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.784 2.153 2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.946 0.614 2.532 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.786 -0.322 1.026 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.648 1.190 1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.384 0.307 2.257 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.332 -0.330 3.904 1.00 0.00 H new ATOM 660 N GLU A 45 9.816 1.981 -0.852 1.00 0.00 N ATOM 661 CA GLU A 45 10.721 2.772 -1.668 1.00 0.00 C ATOM 662 C GLU A 45 9.932 3.596 -2.688 1.00 0.00 C ATOM 663 O GLU A 45 10.172 4.792 -2.843 1.00 0.00 O ATOM 664 CB GLU A 45 11.753 1.882 -2.363 1.00 0.00 C ATOM 665 CG GLU A 45 13.177 2.340 -2.043 1.00 0.00 C ATOM 666 CD GLU A 45 14.205 1.314 -2.524 1.00 0.00 C ATOM 667 OE1 GLU A 45 14.249 1.088 -3.752 1.00 0.00 O ATOM 668 OE2 GLU A 45 14.923 0.779 -1.652 1.00 0.00 O ATOM 0 H GLU A 45 10.030 0.984 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 45 11.262 3.458 -1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.620 0.848 -2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.593 1.907 -3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.369 3.302 -2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.282 2.489 -0.968 1.00 0.00 H new ATOM 675 N ALA A 46 9.008 2.923 -3.358 1.00 0.00 N ATOM 676 CA ALA A 46 8.183 3.578 -4.358 1.00 0.00 C ATOM 677 C ALA A 46 7.394 4.712 -3.700 1.00 0.00 C ATOM 678 O ALA A 46 7.689 5.886 -3.920 1.00 0.00 O ATOM 679 CB ALA A 46 7.272 2.545 -5.025 1.00 0.00 C ATOM 0 H ALA A 46 8.813 1.930 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 46 8.804 4.018 -5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.653 3.037 -5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.881 1.778 -5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.632 2.084 -4.272 1.00 0.00 H new ATOM 685 N ILE A 47 6.408 4.321 -2.907 1.00 0.00 N ATOM 686 CA ILE A 47 5.575 5.290 -2.216 1.00 0.00 C ATOM 687 C ILE A 47 6.464 6.372 -1.599 1.00 0.00 C ATOM 688 O ILE A 47 6.210 7.563 -1.773 1.00 0.00 O ATOM 689 CB ILE A 47 4.666 4.590 -1.204 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.606 3.744 -1.912 1.00 0.00 C ATOM 691 CG2 ILE A 47 4.042 5.600 -0.237 1.00 0.00 C ATOM 692 CD1 ILE A 47 3.086 2.636 -0.994 1.00 0.00 C ATOM 0 H ILE A 47 6.167 3.346 -2.727 1.00 0.00 H new ATOM 0 HA ILE A 47 4.907 5.788 -2.919 1.00 0.00 H new ATOM 0 HB ILE A 47 5.276 3.910 -0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.778 4.380 -2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.030 3.304 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.400 5.077 0.472 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.832 6.121 0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.449 6.322 -0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.334 2.049 -1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.912 1.988 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.641 3.080 -0.104 1.00 0.00 H new ATOM 704 N ASN A 48 7.488 5.919 -0.891 1.00 0.00 N ATOM 705 CA ASN A 48 8.416 6.833 -0.247 1.00 0.00 C ATOM 706 C ASN A 48 8.775 7.958 -1.221 1.00 0.00 C ATOM 707 O ASN A 48 8.803 9.127 -0.841 1.00 0.00 O ATOM 708 CB ASN A 48 9.710 6.118 0.147 1.00 0.00 C ATOM 709 CG ASN A 48 9.555 5.407 1.493 1.00 0.00 C ATOM 710 OD1 ASN A 48 8.756 5.783 2.335 1.00 0.00 O ATOM 711 ND2 ASN A 48 10.361 4.360 1.647 1.00 0.00 N ATOM 0 H ASN A 48 7.696 4.930 -0.749 1.00 0.00 H new ATOM 0 HA ASN A 48 7.935 7.227 0.648 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.978 5.394 -0.622 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.525 6.839 0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.333 3.818 2.510 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.007 4.099 0.902 1.00 0.00 H new ATOM 718 N ASP A 49 9.040 7.564 -2.458 1.00 0.00 N ATOM 719 CA ASP A 49 9.396 8.524 -3.488 1.00 0.00 C ATOM 720 C ASP A 49 8.232 9.494 -3.700 1.00 0.00 C ATOM 721 O ASP A 49 8.441 10.697 -3.854 1.00 0.00 O ATOM 722 CB ASP A 49 9.676 7.825 -4.820 1.00 0.00 C ATOM 723 CG ASP A 49 10.479 8.650 -5.828 1.00 0.00 C ATOM 724 OD1 ASP A 49 11.167 9.589 -5.372 1.00 0.00 O ATOM 725 OD2 ASP A 49 10.386 8.323 -7.031 1.00 0.00 O ATOM 0 H ASP A 49 9.015 6.593 -2.770 1.00 0.00 H new ATOM 0 HA ASP A 49 10.292 9.051 -3.161 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.215 6.899 -4.621 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.725 7.549 -5.275 1.00 0.00 H new ATOM 730 N LEU A 50 7.031 8.936 -3.700 1.00 0.00 N ATOM 731 CA LEU A 50 5.833 9.736 -3.890 1.00 0.00 C ATOM 732 C LEU A 50 5.565 10.553 -2.625 1.00 0.00 C ATOM 733 O LEU A 50 4.811 11.525 -2.657 1.00 0.00 O ATOM 734 CB LEU A 50 4.658 8.851 -4.311 1.00 0.00 C ATOM 735 CG LEU A 50 4.389 8.764 -5.815 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.460 7.592 -6.138 1.00 0.00 C ATOM 737 CD2 LEU A 50 3.848 10.090 -6.353 1.00 0.00 C ATOM 0 H LEU A 50 6.861 7.938 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 50 5.975 10.446 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.835 7.843 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.757 9.221 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 50 5.335 8.574 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.285 7.552 -7.213 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.922 6.661 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.510 7.727 -5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.665 10.001 -7.424 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.915 10.335 -5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.577 10.880 -6.174 1.00 0.00 H new ATOM 749 N VAL A 51 6.198 10.130 -1.541 1.00 0.00 N ATOM 750 CA VAL A 51 6.037 10.810 -0.267 1.00 0.00 C ATOM 751 C VAL A 51 7.087 11.917 -0.149 1.00 0.00 C ATOM 752 O VAL A 51 6.885 12.894 0.570 1.00 0.00 O ATOM 753 CB VAL A 51 6.103 9.798 0.879 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.120 10.507 2.235 1.00 0.00 C ATOM 755 CG2 VAL A 51 4.947 8.800 0.796 1.00 0.00 C ATOM 0 H VAL A 51 6.824 9.325 -1.519 1.00 0.00 H new ATOM 0 HA VAL A 51 5.057 11.284 -0.208 1.00 0.00 H new ATOM 0 HB VAL A 51 7.034 9.240 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.167 9.766 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.991 11.159 2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.214 11.102 2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.018 8.092 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.999 9.335 0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.999 8.261 -0.150 1.00 0.00 H new ATOM 765 N LYS A 52 8.185 11.726 -0.866 1.00 0.00 N ATOM 766 CA LYS A 52 9.266 12.696 -0.850 1.00 0.00 C ATOM 767 C LYS A 52 8.979 13.790 -1.880 1.00 0.00 C ATOM 768 O LYS A 52 9.455 14.916 -1.743 1.00 0.00 O ATOM 769 CB LYS A 52 10.614 11.999 -1.052 1.00 0.00 C ATOM 770 CG LYS A 52 11.084 11.328 0.240 1.00 0.00 C ATOM 771 CD LYS A 52 12.571 11.590 0.484 1.00 0.00 C ATOM 772 CE LYS A 52 13.422 10.418 -0.008 1.00 0.00 C ATOM 773 NZ LYS A 52 14.842 10.821 -0.124 1.00 0.00 N ATOM 0 H LYS A 52 8.349 10.914 -1.461 1.00 0.00 H new ATOM 0 HA LYS A 52 9.327 13.183 0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.527 11.253 -1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.357 12.726 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.502 11.704 1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.905 10.254 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.872 12.503 -0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.746 11.750 1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.331 9.580 0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.055 10.075 -0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.406 10.014 -0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.926 11.606 -0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.193 11.126 0.806 1.00 0.00 H new ATOM 787 N LYS A 53 8.203 13.421 -2.888 1.00 0.00 N ATOM 788 CA LYS A 53 7.846 14.357 -3.940 1.00 0.00 C ATOM 789 C LYS A 53 6.785 15.327 -3.416 1.00 0.00 C ATOM 790 O LYS A 53 6.491 16.335 -4.057 1.00 0.00 O ATOM 791 CB LYS A 53 7.423 13.606 -5.204 1.00 0.00 C ATOM 792 CG LYS A 53 8.641 13.053 -5.948 1.00 0.00 C ATOM 793 CD LYS A 53 8.611 13.455 -7.424 1.00 0.00 C ATOM 794 CE LYS A 53 7.326 12.972 -8.098 1.00 0.00 C ATOM 795 NZ LYS A 53 6.778 14.024 -8.983 1.00 0.00 N ATOM 0 H LYS A 53 7.811 12.486 -2.999 1.00 0.00 H new ATOM 0 HA LYS A 53 8.711 14.955 -4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.753 12.788 -4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.865 14.275 -5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.555 13.425 -5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.661 11.966 -5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.686 14.539 -7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.475 13.033 -7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.528 12.071 -8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.589 12.705 -7.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.906 13.680 -9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.566 14.874 -8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.476 14.259 -9.717 1.00 0.00 H new ATOM 809 N TYR A 54 6.241 14.988 -2.257 1.00 0.00 N ATOM 810 CA TYR A 54 5.219 15.817 -1.640 1.00 0.00 C ATOM 811 C TYR A 54 5.775 16.558 -0.423 1.00 0.00 C ATOM 812 O TYR A 54 6.927 16.357 -0.042 1.00 0.00 O ATOM 813 CB TYR A 54 4.120 14.857 -1.179 1.00 0.00 C ATOM 814 CG TYR A 54 3.210 14.365 -2.307 1.00 0.00 C ATOM 815 CD1 TYR A 54 3.759 13.789 -3.435 1.00 0.00 C ATOM 816 CD2 TYR A 54 1.841 14.497 -2.196 1.00 0.00 C ATOM 817 CE1 TYR A 54 2.904 13.326 -4.496 1.00 0.00 C ATOM 818 CE2 TYR A 54 0.985 14.033 -3.258 1.00 0.00 C ATOM 819 CZ TYR A 54 1.559 13.471 -4.355 1.00 0.00 C ATOM 820 OH TYR A 54 0.750 13.033 -5.358 1.00 0.00 O ATOM 0 H TYR A 54 6.488 14.151 -1.729 1.00 0.00 H new ATOM 0 HA TYR A 54 4.854 16.564 -2.345 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.583 13.996 -0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.510 15.354 -0.425 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.831 13.686 -3.521 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.411 14.948 -1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.321 12.874 -5.384 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.088 14.129 -3.184 1.00 0.00 H new ATOM 0 HH TYR A 54 1.174 12.276 -5.814 1.00 0.00 H new ATOM 830 N THR A 55 4.931 17.401 0.153 1.00 0.00 N ATOM 831 CA THR A 55 5.324 18.174 1.319 1.00 0.00 C ATOM 832 C THR A 55 4.729 17.562 2.590 1.00 0.00 C ATOM 833 O THR A 55 3.514 17.403 2.696 1.00 0.00 O ATOM 834 CB THR A 55 4.901 19.626 1.089 1.00 0.00 C ATOM 835 OG1 THR A 55 6.004 20.202 0.394 1.00 0.00 O ATOM 836 CG2 THR A 55 4.822 20.427 2.390 1.00 0.00 C ATOM 0 H THR A 55 3.976 17.566 -0.166 1.00 0.00 H new ATOM 0 HA THR A 55 6.405 18.154 1.461 1.00 0.00 H new ATOM 0 HB THR A 55 3.932 19.647 0.591 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.814 21.144 0.203 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.518 21.450 2.169 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.093 19.967 3.057 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.800 20.435 2.872 1.00 0.00 H new ATOM 844 N LEU A 56 5.613 17.237 3.521 1.00 0.00 N ATOM 845 CA LEU A 56 5.190 16.646 4.780 1.00 0.00 C ATOM 846 C LEU A 56 4.091 15.616 4.512 1.00 0.00 C ATOM 847 O LEU A 56 3.033 15.654 5.138 1.00 0.00 O ATOM 848 CB LEU A 56 4.782 17.736 5.773 1.00 0.00 C ATOM 849 CG LEU A 56 5.898 18.676 6.233 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.233 17.935 6.333 1.00 0.00 C ATOM 851 CD2 LEU A 56 5.991 19.904 5.324 1.00 0.00 C ATOM 0 H LEU A 56 6.620 17.371 3.430 1.00 0.00 H new ATOM 0 HA LEU A 56 6.018 16.114 5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.993 18.336 5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.353 17.256 6.653 1.00 0.00 H new ATOM 0 HG LEU A 56 5.652 19.033 7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.009 18.626 6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.144 17.120 7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.498 17.530 5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.792 20.555 5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.201 19.586 4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.046 20.446 5.347 1.00 0.00 H new ATOM 863 N ALA A 57 4.379 14.720 3.579 1.00 0.00 N ATOM 864 CA ALA A 57 3.429 13.681 3.221 1.00 0.00 C ATOM 865 C ALA A 57 3.783 12.392 3.965 1.00 0.00 C ATOM 866 O ALA A 57 4.928 12.200 4.370 1.00 0.00 O ATOM 867 CB ALA A 57 3.424 13.495 1.702 1.00 0.00 C ATOM 0 H ALA A 57 5.257 14.692 3.060 1.00 0.00 H new ATOM 0 HA ALA A 57 2.420 13.966 3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.711 12.715 1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.137 14.430 1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.420 13.206 1.367 1.00 0.00 H new ATOM 873 N ARG A 58 2.779 11.542 4.121 1.00 0.00 N ATOM 874 CA ARG A 58 2.970 10.277 4.809 1.00 0.00 C ATOM 875 C ARG A 58 1.857 9.296 4.436 1.00 0.00 C ATOM 876 O ARG A 58 0.679 9.649 4.458 1.00 0.00 O ATOM 877 CB ARG A 58 2.981 10.471 6.327 1.00 0.00 C ATOM 878 CG ARG A 58 4.382 10.835 6.823 1.00 0.00 C ATOM 879 CD ARG A 58 4.477 12.326 7.151 1.00 0.00 C ATOM 880 NE ARG A 58 5.877 12.686 7.469 1.00 0.00 N ATOM 881 CZ ARG A 58 6.513 12.314 8.588 1.00 0.00 C ATOM 882 NH1 ARG A 58 5.878 11.569 9.503 1.00 0.00 N ATOM 883 NH2 ARG A 58 7.784 12.687 8.792 1.00 0.00 N ATOM 0 H ARG A 58 1.831 11.705 3.783 1.00 0.00 H new ATOM 0 HA ARG A 58 3.934 9.874 4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.278 11.258 6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.644 9.557 6.816 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.622 10.248 7.710 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.119 10.579 6.062 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.124 12.916 6.305 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.831 12.563 7.996 1.00 0.00 H new ATOM 0 HE ARG A 58 6.390 13.253 6.794 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.911 11.285 9.347 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.362 11.286 10.355 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.267 13.254 8.095 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.268 12.404 9.644 1.00 0.00 H new ATOM 897 N ALA A 59 2.270 8.082 4.100 1.00 0.00 N ATOM 898 CA ALA A 59 1.322 7.047 3.722 1.00 0.00 C ATOM 899 C ALA A 59 1.885 5.679 4.112 1.00 0.00 C ATOM 900 O ALA A 59 3.100 5.499 4.175 1.00 0.00 O ATOM 901 CB ALA A 59 1.025 7.150 2.225 1.00 0.00 C ATOM 0 H ALA A 59 3.248 7.792 4.082 1.00 0.00 H new ATOM 0 HA ALA A 59 0.378 7.178 4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.314 6.374 1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.600 8.129 2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.949 7.020 1.661 1.00 0.00 H new ATOM 907 N PHE A 60 0.975 4.750 4.363 1.00 0.00 N ATOM 908 CA PHE A 60 1.365 3.404 4.745 1.00 0.00 C ATOM 909 C PHE A 60 0.265 2.396 4.406 1.00 0.00 C ATOM 910 O PHE A 60 -0.796 2.774 3.911 1.00 0.00 O ATOM 911 CB PHE A 60 1.581 3.413 6.260 1.00 0.00 C ATOM 912 CG PHE A 60 2.808 4.210 6.709 1.00 0.00 C ATOM 913 CD1 PHE A 60 2.748 5.566 6.784 1.00 0.00 C ATOM 914 CD2 PHE A 60 3.959 3.561 7.033 1.00 0.00 C ATOM 915 CE1 PHE A 60 3.887 6.306 7.200 1.00 0.00 C ATOM 916 CE2 PHE A 60 5.097 4.300 7.449 1.00 0.00 C ATOM 917 CZ PHE A 60 5.037 5.657 7.524 1.00 0.00 C ATOM 0 H PHE A 60 -0.032 4.903 4.309 1.00 0.00 H new ATOM 0 HA PHE A 60 2.267 3.112 4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.695 3.828 6.741 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.681 2.385 6.609 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.834 6.081 6.527 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.007 2.484 6.974 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.840 7.383 7.259 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.011 3.785 7.706 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.903 6.219 7.841 1.00 0.00 H new ATOM 927 N VAL A 61 0.555 1.134 4.684 1.00 0.00 N ATOM 928 CA VAL A 61 -0.396 0.070 4.414 1.00 0.00 C ATOM 929 C VAL A 61 -0.192 -1.059 5.426 1.00 0.00 C ATOM 930 O VAL A 61 0.930 -1.516 5.634 1.00 0.00 O ATOM 931 CB VAL A 61 -0.262 -0.397 2.963 1.00 0.00 C ATOM 932 CG1 VAL A 61 -1.053 0.512 2.020 1.00 0.00 C ATOM 933 CG2 VAL A 61 1.208 -0.473 2.546 1.00 0.00 C ATOM 0 H VAL A 61 1.436 0.824 5.094 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.417 0.432 4.532 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.683 -1.400 2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.941 0.158 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.107 0.494 2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.675 1.532 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.276 -0.807 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.664 0.513 2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.733 -1.178 3.190 1.00 0.00 H new ATOM 1059 N VAL A 70 -7.927 -4.052 2.700 1.00 0.00 N ATOM 1060 CA VAL A 70 -6.771 -3.413 3.304 1.00 0.00 C ATOM 1061 C VAL A 70 -7.103 -1.951 3.611 1.00 0.00 C ATOM 1062 O VAL A 70 -7.849 -1.312 2.870 1.00 0.00 O ATOM 1063 CB VAL A 70 -5.551 -3.570 2.394 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -4.415 -2.644 2.835 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -5.085 -5.026 2.349 1.00 0.00 C ATOM 0 HA VAL A 70 -6.520 -3.895 4.249 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.846 -3.281 1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.560 -2.775 2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.752 -1.608 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.123 -2.888 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.217 -5.110 1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.816 -5.353 3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.890 -5.654 1.966 1.00 0.00 H new ATOM 1075 N ARG A 71 -6.535 -1.465 4.705 1.00 0.00 N ATOM 1076 CA ARG A 71 -6.762 -0.091 5.119 1.00 0.00 C ATOM 1077 C ARG A 71 -5.613 0.802 4.645 1.00 0.00 C ATOM 1078 O ARG A 71 -4.447 0.424 4.744 1.00 0.00 O ATOM 1079 CB ARG A 71 -6.886 0.012 6.640 1.00 0.00 C ATOM 1080 CG ARG A 71 -8.344 -0.129 7.082 1.00 0.00 C ATOM 1081 CD ARG A 71 -8.611 0.678 8.354 1.00 0.00 C ATOM 1082 NE ARG A 71 -9.240 -0.186 9.378 1.00 0.00 N ATOM 1083 CZ ARG A 71 -10.514 -0.599 9.333 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -11.302 -0.231 8.314 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -11.000 -1.382 10.306 1.00 0.00 N ATOM 0 H ARG A 71 -5.918 -1.998 5.317 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.696 0.243 4.667 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.283 -0.764 7.111 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.491 0.971 6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.004 0.213 6.285 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.574 -1.180 7.258 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.677 1.089 8.737 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.262 1.523 8.129 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.668 -0.486 10.167 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.932 0.364 7.572 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.272 -0.545 8.280 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.400 -1.664 11.081 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.970 -1.696 10.271 1.00 0.00 H new ATOM 1099 N VAL A 72 -5.984 1.971 4.142 1.00 0.00 N ATOM 1100 CA VAL A 72 -4.999 2.921 3.654 1.00 0.00 C ATOM 1101 C VAL A 72 -5.132 4.232 4.432 1.00 0.00 C ATOM 1102 O VAL A 72 -6.209 4.557 4.928 1.00 0.00 O ATOM 1103 CB VAL A 72 -5.154 3.104 2.142 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -4.391 4.340 1.659 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.702 1.852 1.389 1.00 0.00 C ATOM 0 H VAL A 72 -6.952 2.281 4.062 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.990 2.545 3.821 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.212 3.258 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.517 4.448 0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.780 5.226 2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.332 4.227 1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.823 2.009 0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.654 1.653 1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.307 1.001 1.702 1.00 0.00 H new ATOM 1115 N TYR A 73 -4.021 4.949 4.514 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.999 6.217 5.223 1.00 0.00 C ATOM 1117 C TYR A 73 -2.913 7.139 4.665 1.00 0.00 C ATOM 1118 O TYR A 73 -1.755 6.741 4.550 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.668 5.881 6.678 1.00 0.00 C ATOM 1120 CG TYR A 73 -4.014 6.994 7.669 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -5.328 7.376 7.846 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -3.012 7.617 8.385 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.654 8.425 8.778 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -3.338 8.665 9.317 1.00 0.00 C ATOM 1125 CZ TYR A 73 -4.642 9.017 9.467 1.00 0.00 C ATOM 1126 OH TYR A 73 -4.950 10.007 10.348 1.00 0.00 O ATOM 0 H TYR A 73 -3.129 4.676 4.101 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.955 6.731 5.120 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.205 4.976 6.962 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.604 5.658 6.755 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.112 6.889 7.286 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.983 7.318 8.246 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.678 8.734 8.926 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.564 9.160 9.884 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.129 10.337 10.769 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.326 8.353 4.333 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.403 9.335 3.790 1.00 0.00 C ATOM 1138 C ALA A 74 -2.676 10.696 4.433 1.00 0.00 C ATOM 1139 O ALA A 74 -3.819 11.013 4.762 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.535 9.372 2.266 1.00 0.00 C ATOM 0 H ALA A 74 -4.288 8.679 4.430 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.373 9.063 4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.843 10.109 1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.301 8.389 1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.555 9.645 1.996 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.609 11.465 4.592 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.720 12.785 5.189 1.00 0.00 C ATOM 1148 C GLU A 75 -0.556 13.671 4.739 1.00 0.00 C ATOM 1149 O GLU A 75 0.605 13.281 4.852 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.781 12.693 6.715 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.428 12.272 7.293 1.00 0.00 C ATOM 1152 CD GLU A 75 -0.611 11.381 8.524 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -1.223 11.875 9.496 1.00 0.00 O ATOM 1154 OE2 GLU A 75 -0.135 10.227 8.465 1.00 0.00 O ATOM 0 H GLU A 75 -0.663 11.199 4.318 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.650 13.240 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.073 13.658 7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.546 11.974 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.145 11.738 6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.148 13.157 7.563 1.00 0.00 H new ATOM 1161 N ALA A 76 -0.908 14.846 4.239 1.00 0.00 N ATOM 1162 CA ALA A 76 0.092 15.790 3.771 1.00 0.00 C ATOM 1163 C ALA A 76 -0.153 17.152 4.424 1.00 0.00 C ATOM 1164 O ALA A 76 -1.127 17.327 5.155 1.00 0.00 O ATOM 1165 CB ALA A 76 0.054 15.860 2.243 1.00 0.00 C ATOM 0 H ALA A 76 -1.872 15.166 4.148 1.00 0.00 H new ATOM 0 HA ALA A 76 1.092 15.463 4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.805 16.568 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.264 14.874 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.934 16.187 1.918 1.00 0.00 H new ATOM 1171 N ASN A 77 0.746 18.082 4.135 1.00 0.00 N ATOM 1172 CA ASN A 77 0.639 19.422 4.685 1.00 0.00 C ATOM 1173 C ASN A 77 -0.634 20.086 4.155 1.00 0.00 C ATOM 1174 O ASN A 77 -1.226 20.928 4.828 1.00 0.00 O ATOM 1175 CB ASN A 77 1.831 20.286 4.268 1.00 0.00 C ATOM 1176 CG ASN A 77 1.589 21.757 4.609 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.652 22.384 4.141 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.482 22.272 5.449 1.00 0.00 N ATOM 0 H ASN A 77 1.551 17.933 3.527 1.00 0.00 H new ATOM 0 HA ASN A 77 0.616 19.339 5.772 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.732 19.936 4.772 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.003 20.181 3.197 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.407 23.247 5.739 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.242 21.692 5.804 1.00 0.00 H new ATOM 1185 N SER A 78 -1.018 19.681 2.953 1.00 0.00 N ATOM 1186 CA SER A 78 -2.209 20.226 2.325 1.00 0.00 C ATOM 1187 C SER A 78 -3.200 19.102 2.019 1.00 0.00 C ATOM 1188 O SER A 78 -2.812 17.940 1.911 1.00 0.00 O ATOM 1189 CB SER A 78 -1.858 20.987 1.044 1.00 0.00 C ATOM 1190 OG SER A 78 -0.590 21.630 1.136 1.00 0.00 O ATOM 0 H SER A 78 -0.525 18.982 2.398 1.00 0.00 H new ATOM 0 HA SER A 78 -2.669 20.929 3.019 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.854 20.296 0.201 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.628 21.731 0.842 1.00 0.00 H new ATOM 0 HG SER A 78 -0.402 22.103 0.299 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.461 19.487 1.889 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.511 18.526 1.598 1.00 0.00 C ATOM 1198 C GLN A 79 -5.435 18.082 0.135 1.00 0.00 C ATOM 1199 O GLN A 79 -5.794 16.953 -0.194 1.00 0.00 O ATOM 1200 CB GLN A 79 -6.890 19.104 1.924 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.954 18.004 1.949 1.00 0.00 C ATOM 1202 CD GLN A 79 -9.359 18.603 2.033 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -9.585 19.766 1.740 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -10.288 17.747 2.449 1.00 0.00 N ATOM 0 H GLN A 79 -4.779 20.452 1.980 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.361 17.652 2.231 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.858 19.606 2.891 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.157 19.857 1.182 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.869 17.391 1.052 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.783 17.347 2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.031 16.787 2.678 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.258 18.051 2.539 1.00 0.00 H new ATOM 1213 N GLU A 80 -4.964 18.994 -0.702 1.00 0.00 N ATOM 1214 CA GLU A 80 -4.835 18.711 -2.122 1.00 0.00 C ATOM 1215 C GLU A 80 -3.866 17.548 -2.346 1.00 0.00 C ATOM 1216 O GLU A 80 -4.023 16.778 -3.291 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.386 19.955 -2.890 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.378 20.301 -4.003 1.00 0.00 C ATOM 1219 CD GLU A 80 -5.091 19.486 -5.266 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -4.211 19.925 -6.037 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -5.759 18.442 -5.432 1.00 0.00 O ATOM 0 H GLU A 80 -4.667 19.930 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.813 18.421 -2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.296 20.797 -2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.398 19.785 -3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.395 20.105 -3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.318 21.365 -4.231 1.00 0.00 H new ATOM 1228 N SER A 81 -2.885 17.458 -1.459 1.00 0.00 N ATOM 1229 CA SER A 81 -1.891 16.403 -1.548 1.00 0.00 C ATOM 1230 C SER A 81 -2.377 15.161 -0.799 1.00 0.00 C ATOM 1231 O SER A 81 -2.254 14.043 -1.297 1.00 0.00 O ATOM 1232 CB SER A 81 -0.544 16.866 -0.989 1.00 0.00 C ATOM 1233 OG SER A 81 -0.585 18.223 -0.555 1.00 0.00 O ATOM 0 H SER A 81 -2.758 18.099 -0.676 1.00 0.00 H new ATOM 0 HA SER A 81 -1.751 16.154 -2.600 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.259 16.226 -0.154 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.224 16.753 -1.754 1.00 0.00 H new ATOM 0 HG SER A 81 0.293 18.481 -0.203 1.00 0.00 H new ATOM 1239 N ALA A 82 -2.920 15.399 0.386 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.426 14.313 1.209 1.00 0.00 C ATOM 1241 C ALA A 82 -4.355 13.433 0.370 1.00 0.00 C ATOM 1242 O ALA A 82 -4.294 12.207 0.450 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.125 14.890 2.442 1.00 0.00 C ATOM 0 H ALA A 82 -3.021 16.328 0.796 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.608 13.685 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.505 14.076 3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.415 15.482 3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.954 15.523 2.127 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.193 14.093 -0.416 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.133 13.386 -1.268 1.00 0.00 C ATOM 1251 C ASP A 83 -5.371 12.713 -2.412 1.00 0.00 C ATOM 1252 O ASP A 83 -5.603 11.543 -2.712 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.152 14.349 -1.881 1.00 0.00 C ATOM 1254 CG ASP A 83 -8.603 13.866 -1.841 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -8.827 12.705 -2.248 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -9.457 14.668 -1.404 1.00 0.00 O ATOM 0 H ASP A 83 -5.240 15.110 -0.480 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.655 12.650 -0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.088 15.303 -1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.875 14.535 -2.919 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.478 13.481 -3.018 1.00 0.00 N ATOM 1262 CA ARG A 84 -3.681 12.974 -4.122 1.00 0.00 C ATOM 1263 C ARG A 84 -2.987 11.670 -3.721 1.00 0.00 C ATOM 1264 O ARG A 84 -3.249 10.619 -4.303 1.00 0.00 O ATOM 1265 CB ARG A 84 -2.625 13.994 -4.553 1.00 0.00 C ATOM 1266 CG ARG A 84 -2.736 14.298 -6.049 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.793 15.807 -6.298 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.447 16.100 -7.707 1.00 0.00 N ATOM 1269 CZ ARG A 84 -3.286 15.933 -8.738 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -4.526 15.472 -8.524 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -2.885 16.225 -9.982 1.00 0.00 N ATOM 0 H ARG A 84 -4.289 14.451 -2.765 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.354 12.789 -4.959 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.748 14.914 -3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.630 13.610 -4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.882 13.871 -6.575 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.630 13.825 -6.455 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.791 16.184 -6.074 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.101 16.321 -5.630 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.510 16.451 -7.906 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.831 15.248 -7.577 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.165 15.345 -9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.941 16.575 -10.145 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.524 16.098 -10.767 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.116 11.782 -2.728 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.383 10.626 -2.242 1.00 0.00 C ATOM 1287 C LEU A 85 -2.364 9.486 -1.961 1.00 0.00 C ATOM 1288 O LEU A 85 -2.169 8.365 -2.428 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.521 11.006 -1.037 1.00 0.00 C ATOM 1290 CG LEU A 85 0.748 10.177 -0.831 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.754 10.426 -1.956 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.355 10.436 0.549 1.00 0.00 C ATOM 0 H LEU A 85 -1.902 12.656 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.688 10.269 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.235 12.053 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.133 10.926 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 85 0.477 9.122 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.647 9.825 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.307 10.150 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.025 11.481 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.256 9.834 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.609 11.492 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.633 10.167 1.320 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.398 9.812 -1.200 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.411 8.830 -0.851 1.00 0.00 C ATOM 1306 C ALA A 86 -4.919 8.154 -2.126 1.00 0.00 C ATOM 1307 O ALA A 86 -4.586 7.001 -2.397 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.533 9.510 -0.064 1.00 0.00 C ATOM 0 H ALA A 86 -3.557 10.743 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.990 8.054 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.292 8.773 0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.125 9.949 0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.983 10.293 -0.674 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.718 8.900 -2.875 1.00 0.00 N ATOM 1315 CA TYR A 87 -6.276 8.387 -4.115 1.00 0.00 C ATOM 1316 C TYR A 87 -5.233 7.582 -4.893 1.00 0.00 C ATOM 1317 O TYR A 87 -5.537 6.513 -5.420 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.674 9.614 -4.937 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.642 9.386 -6.450 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -7.625 8.630 -7.055 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -5.629 9.936 -7.210 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -7.595 8.415 -8.478 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -5.599 9.721 -8.633 1.00 0.00 C ATOM 1324 CZ TYR A 87 -6.584 8.971 -9.197 1.00 0.00 C ATOM 1325 OH TYR A 87 -6.555 8.769 -10.542 1.00 0.00 O ATOM 0 H TYR A 87 -5.992 9.856 -2.647 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.120 7.728 -3.913 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.679 9.922 -4.647 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.004 10.437 -4.690 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.417 8.199 -6.461 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.859 10.528 -6.737 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.358 7.825 -8.964 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.812 10.145 -9.239 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.777 9.226 -10.925 1.00 0.00 H new ATOM 1335 N GLU A 88 -4.026 8.126 -4.940 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.937 7.471 -5.645 1.00 0.00 C ATOM 1337 C GLU A 88 -2.598 6.138 -4.977 1.00 0.00 C ATOM 1338 O GLU A 88 -2.812 5.075 -5.559 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.707 8.378 -5.716 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.883 9.458 -6.786 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.889 9.261 -7.933 1.00 0.00 C ATOM 1342 OE1 GLU A 88 0.322 9.421 -7.668 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -1.364 8.954 -9.048 1.00 0.00 O ATOM 0 H GLU A 88 -3.778 9.013 -4.501 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.259 7.271 -6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.539 8.846 -4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.823 7.781 -5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.901 9.428 -7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.740 10.443 -6.341 1.00 0.00 H new ATOM 1350 N VAL A 89 -2.075 6.236 -3.764 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.703 5.051 -3.010 1.00 0.00 C ATOM 1352 C VAL A 89 -2.765 3.969 -3.214 1.00 0.00 C ATOM 1353 O VAL A 89 -2.482 2.915 -3.783 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.493 5.412 -1.538 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -1.414 4.153 -0.671 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -0.246 6.280 -1.359 1.00 0.00 C ATOM 0 H VAL A 89 -1.900 7.119 -3.284 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.756 4.650 -3.371 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.355 5.992 -1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.264 4.437 0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.342 3.589 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.579 3.535 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.120 6.522 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.630 5.736 -1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.358 7.201 -1.932 1.00 0.00 H new ATOM 1366 N SER A 90 -3.966 4.266 -2.740 1.00 0.00 N ATOM 1367 CA SER A 90 -5.072 3.331 -2.863 1.00 0.00 C ATOM 1368 C SER A 90 -5.030 2.649 -4.232 1.00 0.00 C ATOM 1369 O SER A 90 -5.207 1.436 -4.331 1.00 0.00 O ATOM 1370 CB SER A 90 -6.414 4.037 -2.662 1.00 0.00 C ATOM 1371 OG SER A 90 -6.391 5.376 -3.148 1.00 0.00 O ATOM 0 H SER A 90 -4.198 5.141 -2.270 1.00 0.00 H new ATOM 0 HA SER A 90 -4.970 2.575 -2.084 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.198 3.479 -3.174 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.667 4.041 -1.602 1.00 0.00 H new ATOM 0 HG SER A 90 -5.901 5.944 -2.518 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.795 3.459 -5.254 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.728 2.949 -6.613 1.00 0.00 C ATOM 1379 C LEU A 91 -3.451 2.123 -6.781 1.00 0.00 C ATOM 1380 O LEU A 91 -3.497 0.992 -7.261 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.857 4.092 -7.622 1.00 0.00 C ATOM 1382 CG LEU A 91 -6.266 4.359 -8.155 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.520 5.861 -8.305 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -6.510 3.603 -9.462 1.00 0.00 C ATOM 0 H LEU A 91 -4.649 4.465 -5.168 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.568 2.283 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.487 5.005 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.204 3.879 -8.468 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.984 3.982 -7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.528 6.023 -8.685 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.416 6.346 -7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.797 6.284 -9.002 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.519 3.810 -9.819 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.786 3.927 -10.210 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.399 2.533 -9.289 1.00 0.00 H new ATOM 1396 N LEU A 92 -2.340 2.721 -6.375 1.00 0.00 N ATOM 1397 CA LEU A 92 -1.052 2.055 -6.474 1.00 0.00 C ATOM 1398 C LEU A 92 -1.174 0.633 -5.921 1.00 0.00 C ATOM 1399 O LEU A 92 -0.703 -0.320 -6.539 1.00 0.00 O ATOM 1400 CB LEU A 92 0.036 2.888 -5.794 1.00 0.00 C ATOM 1401 CG LEU A 92 0.034 4.384 -6.115 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.436 4.978 -5.969 1.00 0.00 C ATOM 1403 CD2 LEU A 92 -0.559 4.647 -7.501 1.00 0.00 C ATOM 0 H LEU A 92 -2.305 3.659 -5.977 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.748 1.967 -7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.063 2.768 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.007 2.478 -6.072 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.606 4.888 -5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.406 6.042 -6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.784 4.841 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.118 4.475 -6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.549 5.718 -7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.034 4.129 -8.255 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.585 4.282 -7.533 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.810 0.536 -4.763 1.00 0.00 N ATOM 1416 CA VAL A 93 -2.000 -0.753 -4.119 1.00 0.00 C ATOM 1417 C VAL A 93 -2.746 -1.689 -5.073 1.00 0.00 C ATOM 1418 O VAL A 93 -2.214 -2.722 -5.475 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.717 -0.569 -2.780 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.614 -1.833 -1.925 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -2.172 0.647 -2.029 1.00 0.00 C ATOM 0 H VAL A 93 -2.200 1.329 -4.254 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.038 -1.214 -3.896 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.772 -0.390 -2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.132 -1.675 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.072 -2.669 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.565 -2.057 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.699 0.755 -1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.107 0.510 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.321 1.543 -2.631 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.965 -1.293 -5.406 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.789 -2.084 -6.305 1.00 0.00 C ATOM 1433 C PHE A 94 -3.943 -2.714 -7.413 1.00 0.00 C ATOM 1434 O PHE A 94 -4.163 -3.864 -7.789 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.806 -1.130 -6.935 1.00 0.00 C ATOM 1436 CG PHE A 94 -7.131 -1.795 -7.313 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -7.136 -2.903 -8.102 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -8.305 -1.277 -6.861 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -8.366 -3.519 -8.452 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -9.535 -1.894 -7.211 1.00 0.00 C ATOM 1441 CZ PHE A 94 -9.540 -3.002 -8.000 1.00 0.00 C ATOM 0 H PHE A 94 -4.402 -0.435 -5.070 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.274 -2.889 -5.754 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.006 -0.316 -6.238 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.367 -0.685 -7.828 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.204 -3.314 -8.462 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.301 -0.396 -6.236 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.370 -4.399 -9.078 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.467 -1.484 -6.851 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.475 -3.471 -8.267 1.00 0.00 H new ATOM 1451 N GLN A 95 -2.993 -1.932 -7.905 1.00 0.00 N ATOM 1452 CA GLN A 95 -2.113 -2.399 -8.962 1.00 0.00 C ATOM 1453 C GLN A 95 -1.062 -3.355 -8.395 1.00 0.00 C ATOM 1454 O GLN A 95 -0.988 -4.514 -8.801 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.451 -1.223 -9.684 1.00 0.00 C ATOM 1456 CG GLN A 95 -2.193 -0.887 -10.979 1.00 0.00 C ATOM 1457 CD GLN A 95 -1.269 -1.025 -12.191 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -0.721 -2.078 -12.471 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -1.128 0.096 -12.893 1.00 0.00 N ATOM 0 H GLN A 95 -2.814 -0.978 -7.591 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.712 -2.941 -9.693 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.439 -0.351 -9.031 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.413 -1.467 -9.908 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.051 -1.550 -11.094 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.581 0.130 -10.927 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.616 0.944 -12.603 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.532 0.108 -13.721 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.275 -2.835 -7.464 1.00 0.00 N ATOM 1469 CA LEU A 96 0.768 -3.628 -6.837 1.00 0.00 C ATOM 1470 C LEU A 96 0.166 -4.936 -6.318 1.00 0.00 C ATOM 1471 O LEU A 96 0.352 -5.991 -6.922 1.00 0.00 O ATOM 1472 CB LEU A 96 1.487 -2.813 -5.760 1.00 0.00 C ATOM 1473 CG LEU A 96 2.158 -1.521 -6.233 1.00 0.00 C ATOM 1474 CD1 LEU A 96 1.704 -0.328 -5.391 1.00 0.00 C ATOM 1475 CD2 LEU A 96 3.681 -1.668 -6.246 1.00 0.00 C ATOM 0 H LEU A 96 -0.339 -1.874 -7.129 1.00 0.00 H new ATOM 0 HA LEU A 96 1.533 -3.895 -7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.767 -2.561 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.246 -3.446 -5.300 1.00 0.00 H new ATOM 0 HG LEU A 96 1.844 -1.328 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.195 0.577 -5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.624 -0.212 -5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.969 -0.497 -4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.134 -0.736 -6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.033 -1.897 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.963 -2.476 -6.921 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.543 -4.823 -5.205 1.00 0.00 N ATOM 1488 CA ALA A 97 -1.173 -5.984 -4.598 1.00 0.00 C ATOM 1489 C ALA A 97 -1.967 -6.742 -5.663 1.00 0.00 C ATOM 1490 O ALA A 97 -1.667 -7.898 -5.961 1.00 0.00 O ATOM 1491 CB ALA A 97 -2.049 -5.535 -3.427 1.00 0.00 C ATOM 0 H ALA A 97 -0.695 -3.946 -4.707 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.421 -6.665 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.522 -6.405 -2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.433 -5.027 -2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.818 -4.852 -3.789 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.964 -6.062 -6.209 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.804 -6.657 -7.234 1.00 0.00 C ATOM 1499 C GLY A 98 -5.266 -6.706 -6.786 1.00 0.00 C ATOM 1500 O GLY A 98 -5.872 -7.776 -6.749 1.00 0.00 O ATOM 0 H GLY A 98 -3.209 -5.104 -5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.722 -6.081 -8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.454 -7.665 -7.456 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.790 -5.535 -6.456 1.00 0.00 N ATOM 1505 CA GLY A 99 -7.170 -5.431 -6.011 1.00 0.00 C ATOM 1506 C GLY A 99 -8.093 -6.281 -6.885 1.00 0.00 C ATOM 1507 O GLY A 99 -7.710 -6.697 -7.978 1.00 0.00 O ATOM 0 H GLY A 99 -5.284 -4.650 -6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.247 -5.755 -4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.489 -4.389 -6.044 1.00 0.00 H new ATOM 1511 N ILE A 100 -9.292 -6.515 -6.372 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.273 -7.308 -7.092 1.00 0.00 C ATOM 1513 C ILE A 100 -11.495 -6.441 -7.403 1.00 0.00 C ATOM 1514 O ILE A 100 -11.944 -5.670 -6.557 1.00 0.00 O ATOM 1515 CB ILE A 100 -10.606 -8.584 -6.315 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -11.279 -8.254 -4.982 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -9.360 -9.453 -6.129 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -11.914 -9.501 -4.364 1.00 0.00 C ATOM 0 H ILE A 100 -9.606 -6.169 -5.465 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.866 -7.641 -8.047 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.319 -9.165 -6.900 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -10.544 -7.837 -4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.042 -7.491 -5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.624 -10.353 -5.574 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.962 -9.732 -7.105 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.606 -8.894 -5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.385 -9.238 -3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.665 -9.902 -5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.144 -10.253 -4.190 1.00 0.00 H new