USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 889 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 TYR OH : rot -15:sc= 0.938 USER MOD Set 1.2: A 120 ASN : amide:sc= 1.18 X(o=2.6,f=2.8) USER MOD Set 1.3: A 124 GLN : amide:sc= 0.503 X(o=2.6,f=2.8) USER MOD Set 2.1: A 97 GLN : amide:sc= 0.717 K(o=1.4,f=0.48) USER MOD Set 2.2: A 103 SER OG : rot 87:sc= 0.642 USER MOD Set 3.1: A 44 THR OG1 : rot -160:sc= 0.816 USER MOD Set 3.2: A 63 LYS NZ :NH3+ -166:sc= 2.23 (180deg=1.18) USER MOD Set 4.1: A 59 LYS NZ :NH3+ 175:sc= 2.33 (180deg=1.17) USER MOD Set 4.2: A 71 GLN : amide:sc= 1.05 K(o=3.4,f=-4.1) USER MOD Set 5.1: A 52 LYS NZ :NH3+ -118:sc= 0.241 (180deg=0) USER MOD Set 5.2: A 57 TYR OH : rot 180:sc= 0.229 USER MOD Set 6.1: A 51 SER OG : rot 141:sc= 1.1 USER MOD Set 6.2: A 126 HIS : no HE2:sc= 0.564 K(o=1.7,f=-6!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.33 USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.14) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 85:sc= 0.127 USER MOD Single : A 31 TYR OH : rot -33:sc= 0.00217 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.564 K(o=0.56,f=-7.2!) USER MOD Single : A 50 THR OG1 : rot -56:sc= 0.191 USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= 1.9 (180deg=1.4) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.393 K(o=0.39,f=-0.16) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -160:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -4.552 8.720 13.787 1.00 0.00 N ATOM 172 CA GLU A 8 -5.006 7.514 13.107 1.00 0.00 C ATOM 173 C GLU A 8 -4.904 6.323 14.082 1.00 0.00 C ATOM 174 O GLU A 8 -3.908 6.143 14.788 1.00 0.00 O ATOM 175 CB GLU A 8 -4.210 7.291 11.805 1.00 0.00 C ATOM 176 CG GLU A 8 -2.682 7.167 11.951 1.00 0.00 C ATOM 177 CD GLU A 8 -1.925 8.507 12.048 1.00 0.00 C ATOM 178 OE1 GLU A 8 -1.524 9.041 10.985 1.00 0.00 O ATOM 179 OE2 GLU A 8 -1.621 8.975 13.171 1.00 0.00 O ATOM 0 HA GLU A 8 -6.050 7.618 12.810 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.583 6.385 11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.423 8.118 11.128 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.464 6.579 12.842 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.295 6.609 11.098 1.00 0.00 H new ATOM 186 N SER A 9 -5.961 5.522 14.149 1.00 0.00 N ATOM 187 CA SER A 9 -6.082 4.329 14.995 1.00 0.00 C ATOM 188 C SER A 9 -5.716 3.065 14.220 1.00 0.00 C ATOM 189 O SER A 9 -6.206 2.869 13.112 1.00 0.00 O ATOM 190 CB SER A 9 -7.512 4.199 15.522 1.00 0.00 C ATOM 191 OG SER A 9 -7.801 5.245 16.439 1.00 0.00 O ATOM 0 H SER A 9 -6.798 5.690 13.591 1.00 0.00 H new ATOM 0 HA SER A 9 -5.390 4.442 15.830 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.217 4.231 14.691 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.639 3.233 16.011 1.00 0.00 H new ATOM 0 HG SER A 9 -8.720 5.149 16.766 1.00 0.00 H new ATOM 197 N VAL A 10 -4.873 2.184 14.766 1.00 0.00 N ATOM 198 CA VAL A 10 -4.392 0.989 14.043 1.00 0.00 C ATOM 199 C VAL A 10 -5.536 0.015 13.722 1.00 0.00 C ATOM 200 O VAL A 10 -6.358 -0.306 14.583 1.00 0.00 O ATOM 201 CB VAL A 10 -3.261 0.278 14.805 1.00 0.00 C ATOM 202 CG1 VAL A 10 -2.705 -0.933 14.039 1.00 0.00 C ATOM 203 CG2 VAL A 10 -2.077 1.212 15.098 1.00 0.00 C ATOM 0 H VAL A 10 -4.504 2.272 15.713 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.983 1.340 13.095 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.722 -0.050 15.737 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.910 -1.398 14.621 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.503 -1.656 13.873 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.307 -0.605 13.079 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.305 0.663 15.637 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.668 1.586 14.160 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.417 2.051 15.705 1.00 0.00 H new ATOM 213 N LEU A 11 -5.551 -0.476 12.479 1.00 0.00 N ATOM 214 CA LEU A 11 -6.466 -1.498 11.963 1.00 0.00 C ATOM 215 C LEU A 11 -5.746 -2.834 11.714 1.00 0.00 C ATOM 216 O LEU A 11 -6.278 -3.892 12.055 1.00 0.00 O ATOM 217 CB LEU A 11 -7.098 -1.029 10.637 1.00 0.00 C ATOM 218 CG LEU A 11 -7.887 0.290 10.654 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.522 0.474 9.274 1.00 0.00 C ATOM 220 CD2 LEU A 11 -8.982 0.314 11.720 1.00 0.00 C ATOM 0 H LEU A 11 -4.892 -0.155 11.770 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.237 -1.648 12.719 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.301 -0.935 9.899 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.766 -1.816 10.286 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.196 1.098 10.895 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.090 1.404 9.256 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.740 0.511 8.516 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.189 -0.362 9.066 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.504 1.270 11.684 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.690 -0.494 11.533 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.534 0.183 12.705 1.00 0.00 H new ATOM 232 N CYS A 12 -4.547 -2.790 11.115 1.00 0.00 N ATOM 233 CA CYS A 12 -3.752 -3.968 10.758 1.00 0.00 C ATOM 234 C CYS A 12 -2.241 -3.723 10.882 1.00 0.00 C ATOM 235 O CYS A 12 -1.752 -2.596 10.776 1.00 0.00 O ATOM 236 CB CYS A 12 -4.167 -4.463 9.360 1.00 0.00 C ATOM 237 SG CYS A 12 -3.490 -6.114 9.020 1.00 0.00 S ATOM 0 H CYS A 12 -4.095 -1.912 10.860 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.964 -4.759 11.477 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.254 -4.491 9.289 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.817 -3.761 8.604 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.862 -6.500 7.835 1.00 0.00 H new ATOM 243 N VAL A 13 -1.503 -4.810 11.090 1.00 0.00 N ATOM 244 CA VAL A 13 -0.040 -4.880 11.102 1.00 0.00 C ATOM 245 C VAL A 13 0.404 -6.148 10.371 1.00 0.00 C ATOM 246 O VAL A 13 -0.112 -7.235 10.645 1.00 0.00 O ATOM 247 CB VAL A 13 0.507 -4.790 12.544 1.00 0.00 C ATOM 248 CG1 VAL A 13 -0.026 -5.861 13.507 1.00 0.00 C ATOM 249 CG2 VAL A 13 2.041 -4.832 12.585 1.00 0.00 C ATOM 0 H VAL A 13 -1.932 -5.719 11.265 1.00 0.00 H new ATOM 0 HA VAL A 13 0.379 -4.024 10.573 1.00 0.00 H new ATOM 0 HB VAL A 13 0.139 -3.824 12.889 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.415 -5.715 14.493 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.111 -5.779 13.579 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.239 -6.850 13.134 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.379 -4.766 13.619 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.391 -5.767 12.148 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.443 -3.993 12.017 1.00 0.00 H new ATOM 259 N LYS A 14 1.365 -6.020 9.447 1.00 0.00 N ATOM 260 CA LYS A 14 2.056 -7.168 8.823 1.00 0.00 C ATOM 261 C LYS A 14 3.584 -7.101 8.971 1.00 0.00 C ATOM 262 O LYS A 14 4.157 -6.018 8.831 1.00 0.00 O ATOM 263 CB LYS A 14 1.614 -7.398 7.362 1.00 0.00 C ATOM 264 CG LYS A 14 0.227 -8.047 7.233 1.00 0.00 C ATOM 265 CD LYS A 14 0.232 -9.511 7.703 1.00 0.00 C ATOM 266 CE LYS A 14 -1.148 -10.131 7.514 1.00 0.00 C ATOM 267 NZ LYS A 14 -1.142 -11.581 7.834 1.00 0.00 N ATOM 0 H LYS A 14 1.690 -5.115 9.106 1.00 0.00 H new ATOM 0 HA LYS A 14 1.741 -8.048 9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.609 -6.442 6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.349 -8.030 6.864 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.495 -7.480 7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.100 -8.000 6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.973 -10.078 7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.521 -9.562 8.753 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.868 -9.619 8.152 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.475 -9.986 6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.078 -11.985 7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.424 -12.061 7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.920 -11.713 8.841 1.00 0.00 H new ATOM 281 N PRO A 15 4.242 -8.244 9.256 1.00 0.00 N ATOM 282 CA PRO A 15 5.616 -8.297 9.768 1.00 0.00 C ATOM 283 C PRO A 15 6.702 -8.013 8.720 1.00 0.00 C ATOM 284 O PRO A 15 7.776 -7.527 9.077 1.00 0.00 O ATOM 285 CB PRO A 15 5.765 -9.714 10.343 1.00 0.00 C ATOM 286 CG PRO A 15 4.793 -10.550 9.508 1.00 0.00 C ATOM 287 CD PRO A 15 3.649 -9.578 9.290 1.00 0.00 C ATOM 0 HA PRO A 15 5.765 -7.509 10.506 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.788 -10.078 10.250 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.511 -9.745 11.403 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.238 -10.874 8.567 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.471 -11.448 10.035 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.127 -9.795 8.358 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.915 -9.656 10.092 1.00 0.00 H new ATOM 295 N ASP A 16 6.438 -8.312 7.445 1.00 0.00 N ATOM 296 CA ASP A 16 7.379 -8.144 6.332 1.00 0.00 C ATOM 297 C ASP A 16 6.649 -7.689 5.056 1.00 0.00 C ATOM 298 O ASP A 16 5.618 -8.258 4.684 1.00 0.00 O ATOM 299 CB ASP A 16 8.139 -9.457 6.101 1.00 0.00 C ATOM 300 CG ASP A 16 9.267 -9.275 5.076 1.00 0.00 C ATOM 301 OD1 ASP A 16 10.410 -8.974 5.492 1.00 0.00 O ATOM 302 OD2 ASP A 16 9.014 -9.422 3.859 1.00 0.00 O ATOM 0 H ASP A 16 5.537 -8.689 7.149 1.00 0.00 H new ATOM 0 HA ASP A 16 8.096 -7.364 6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.555 -9.810 7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.447 -10.224 5.752 1.00 0.00 H new ATOM 307 N VAL A 17 7.177 -6.659 4.389 1.00 0.00 N ATOM 308 CA VAL A 17 6.627 -6.082 3.153 1.00 0.00 C ATOM 309 C VAL A 17 7.754 -5.469 2.317 1.00 0.00 C ATOM 310 O VAL A 17 8.670 -4.850 2.866 1.00 0.00 O ATOM 311 CB VAL A 17 5.509 -5.063 3.473 1.00 0.00 C ATOM 312 CG1 VAL A 17 5.967 -3.868 4.317 1.00 0.00 C ATOM 313 CG2 VAL A 17 4.831 -4.540 2.207 1.00 0.00 C ATOM 0 H VAL A 17 8.025 -6.187 4.702 1.00 0.00 H new ATOM 0 HA VAL A 17 6.169 -6.872 2.559 1.00 0.00 H new ATOM 0 HB VAL A 17 4.797 -5.633 4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.122 -3.203 4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.356 -4.224 5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.749 -3.326 3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.052 -3.827 2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.570 -4.047 1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.386 -5.373 1.662 1.00 0.00 H new ATOM 323 N SER A 18 7.696 -5.641 0.994 1.00 0.00 N ATOM 324 CA SER A 18 8.695 -5.140 0.038 1.00 0.00 C ATOM 325 C SER A 18 8.102 -4.118 -0.940 1.00 0.00 C ATOM 326 O SER A 18 6.955 -4.246 -1.362 1.00 0.00 O ATOM 327 CB SER A 18 9.319 -6.301 -0.742 1.00 0.00 C ATOM 328 OG SER A 18 9.836 -7.302 0.119 1.00 0.00 O ATOM 0 H SER A 18 6.933 -6.146 0.543 1.00 0.00 H new ATOM 0 HA SER A 18 9.466 -4.634 0.620 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.569 -6.740 -1.400 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.119 -5.922 -1.379 1.00 0.00 H new ATOM 0 HG SER A 18 10.224 -8.026 -0.416 1.00 0.00 H new ATOM 334 N VAL A 19 8.881 -3.105 -1.326 1.00 0.00 N ATOM 335 CA VAL A 19 8.451 -1.983 -2.181 1.00 0.00 C ATOM 336 C VAL A 19 9.338 -1.855 -3.421 1.00 0.00 C ATOM 337 O VAL A 19 10.565 -1.933 -3.340 1.00 0.00 O ATOM 338 CB VAL A 19 8.372 -0.676 -1.371 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.135 0.546 -2.262 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.215 -0.771 -0.368 1.00 0.00 C ATOM 0 H VAL A 19 9.860 -3.036 -1.047 1.00 0.00 H new ATOM 0 HA VAL A 19 7.445 -2.194 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 19 9.329 -0.550 -0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.087 1.443 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.954 0.640 -2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.195 0.426 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.156 0.153 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.279 -0.924 -0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.387 -1.609 0.307 1.00 0.00 H new ATOM 350 N TYR A 20 8.693 -1.643 -4.571 1.00 0.00 N ATOM 351 CA TYR A 20 9.306 -1.742 -5.907 1.00 0.00 C ATOM 352 C TYR A 20 9.579 -0.421 -6.652 1.00 0.00 C ATOM 353 O TYR A 20 10.240 -0.445 -7.690 1.00 0.00 O ATOM 354 CB TYR A 20 8.437 -2.675 -6.761 1.00 0.00 C ATOM 355 CG TYR A 20 8.326 -4.098 -6.239 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.064 -4.700 -6.070 1.00 0.00 C ATOM 357 CD2 TYR A 20 9.493 -4.845 -5.996 1.00 0.00 C ATOM 358 CE1 TYR A 20 6.976 -6.047 -5.671 1.00 0.00 C ATOM 359 CE2 TYR A 20 9.408 -6.177 -5.553 1.00 0.00 C ATOM 360 CZ TYR A 20 8.148 -6.783 -5.386 1.00 0.00 C ATOM 361 OH TYR A 20 8.083 -8.071 -4.955 1.00 0.00 O ATOM 0 H TYR A 20 7.705 -1.391 -4.604 1.00 0.00 H new ATOM 0 HA TYR A 20 10.309 -2.136 -5.741 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.436 -2.250 -6.834 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.845 -2.704 -7.771 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.165 -4.129 -6.246 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.461 -4.392 -6.151 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.009 -6.520 -5.582 1.00 0.00 H new ATOM 0 HE2 TYR A 20 10.308 -6.735 -5.341 1.00 0.00 H new ATOM 0 HH TYR A 20 8.015 -8.671 -5.727 1.00 0.00 H new ATOM 371 N ARG A 21 9.094 0.713 -6.126 1.00 0.00 N ATOM 372 CA ARG A 21 9.286 2.101 -6.638 1.00 0.00 C ATOM 373 C ARG A 21 9.173 2.224 -8.174 1.00 0.00 C ATOM 374 O ARG A 21 10.159 2.277 -8.910 1.00 0.00 O ATOM 375 CB ARG A 21 10.603 2.676 -6.073 1.00 0.00 C ATOM 376 CG ARG A 21 10.399 3.301 -4.684 1.00 0.00 C ATOM 377 CD ARG A 21 11.747 3.573 -4.012 1.00 0.00 C ATOM 378 NE ARG A 21 11.641 4.553 -2.915 1.00 0.00 N ATOM 379 CZ ARG A 21 12.638 4.956 -2.147 1.00 0.00 C ATOM 380 NH1 ARG A 21 12.457 5.928 -1.298 1.00 0.00 N ATOM 381 NH2 ARG A 21 13.823 4.422 -2.200 1.00 0.00 N ATOM 0 H ARG A 21 8.522 0.698 -5.282 1.00 0.00 H new ATOM 0 HA ARG A 21 8.458 2.710 -6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.349 1.884 -6.010 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.995 3.429 -6.757 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.839 4.231 -4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.805 2.632 -4.062 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.151 2.638 -3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.453 3.940 -4.756 1.00 0.00 H new ATOM 0 HE ARG A 21 10.721 4.953 -2.734 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.545 6.379 -1.226 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.227 6.238 -0.706 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.011 3.661 -2.853 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.564 4.764 -1.589 1.00 0.00 H new ATOM 395 N ILE A 22 7.926 2.250 -8.643 1.00 0.00 N ATOM 396 CA ILE A 22 7.527 2.047 -10.047 1.00 0.00 C ATOM 397 C ILE A 22 7.668 3.313 -10.926 1.00 0.00 C ATOM 398 O ILE A 22 7.468 4.425 -10.427 1.00 0.00 O ATOM 399 CB ILE A 22 6.085 1.489 -10.107 1.00 0.00 C ATOM 400 CG1 ILE A 22 5.045 2.526 -9.619 1.00 0.00 C ATOM 401 CG2 ILE A 22 6.018 0.167 -9.328 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.629 1.986 -9.419 1.00 0.00 C ATOM 0 H ILE A 22 7.127 2.420 -8.033 1.00 0.00 H new ATOM 0 HA ILE A 22 8.222 1.321 -10.469 1.00 0.00 H new ATOM 0 HB ILE A 22 5.824 1.284 -11.145 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.392 2.948 -8.676 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.006 3.344 -10.339 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.003 -0.228 -9.369 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.706 -0.552 -9.772 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.298 0.342 -8.289 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.978 2.790 -9.077 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.253 1.592 -10.363 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.645 1.190 -8.674 1.00 0.00 H new ATOM 414 N PRO A 23 7.954 3.169 -12.239 1.00 0.00 N ATOM 415 CA PRO A 23 7.958 4.294 -13.177 1.00 0.00 C ATOM 416 C PRO A 23 6.578 4.910 -13.530 1.00 0.00 C ATOM 417 O PRO A 23 6.480 6.141 -13.505 1.00 0.00 O ATOM 418 CB PRO A 23 8.750 3.834 -14.408 1.00 0.00 C ATOM 419 CG PRO A 23 8.911 2.317 -14.279 1.00 0.00 C ATOM 420 CD PRO A 23 8.537 1.976 -12.837 1.00 0.00 C ATOM 0 HA PRO A 23 8.433 5.142 -12.685 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.223 4.091 -15.327 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.722 4.325 -14.450 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.264 1.794 -14.984 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.934 2.013 -14.499 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.828 1.149 -12.811 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.417 1.659 -12.278 1.00 0.00 H new ATOM 428 N PRO A 24 5.514 4.145 -13.869 1.00 0.00 N ATOM 429 CA PRO A 24 4.244 4.709 -14.347 1.00 0.00 C ATOM 430 C PRO A 24 3.296 5.164 -13.222 1.00 0.00 C ATOM 431 O PRO A 24 3.344 4.656 -12.100 1.00 0.00 O ATOM 432 CB PRO A 24 3.603 3.595 -15.185 1.00 0.00 C ATOM 433 CG PRO A 24 4.075 2.331 -14.471 1.00 0.00 C ATOM 434 CD PRO A 24 5.494 2.702 -14.056 1.00 0.00 C ATOM 0 HA PRO A 24 4.433 5.619 -14.916 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.516 3.672 -15.198 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.937 3.624 -16.222 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.449 2.092 -13.611 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.058 1.462 -15.129 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.774 2.189 -13.136 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.211 2.401 -14.820 1.00 0.00 H new ATOM 525 N GLY A 30 -4.573 -0.495 -15.639 1.00 0.00 N ATOM 526 CA GLY A 30 -4.204 -0.088 -14.285 1.00 0.00 C ATOM 527 C GLY A 30 -2.728 0.273 -14.134 1.00 0.00 C ATOM 528 O GLY A 30 -2.329 1.410 -14.381 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.810 0.770 -13.995 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.444 -0.896 -13.594 1.00 0.00 H new ATOM 532 N TYR A 31 -1.927 -0.708 -13.729 1.00 0.00 N ATOM 533 CA TYR A 31 -0.475 -0.589 -13.555 1.00 0.00 C ATOM 534 C TYR A 31 0.331 -1.780 -14.070 1.00 0.00 C ATOM 535 O TYR A 31 1.460 -1.563 -14.504 1.00 0.00 O ATOM 536 CB TYR A 31 -0.148 -0.436 -12.070 1.00 0.00 C ATOM 537 CG TYR A 31 -0.435 0.928 -11.507 1.00 0.00 C ATOM 538 CD1 TYR A 31 0.569 1.912 -11.554 1.00 0.00 C ATOM 539 CD2 TYR A 31 -1.663 1.180 -10.870 1.00 0.00 C ATOM 540 CE1 TYR A 31 0.358 3.147 -10.918 1.00 0.00 C ATOM 541 CE2 TYR A 31 -1.882 2.421 -10.246 1.00 0.00 C ATOM 542 CZ TYR A 31 -0.867 3.405 -10.256 1.00 0.00 C ATOM 543 OH TYR A 31 -1.065 4.570 -9.579 1.00 0.00 O ATOM 0 H TYR A 31 -2.278 -1.639 -13.505 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.191 0.282 -14.146 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.718 -1.175 -11.507 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.907 -0.664 -11.918 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.495 1.720 -12.075 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.434 0.424 -10.860 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.131 3.901 -10.934 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.825 2.622 -9.759 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.218 4.870 -9.189 1.00 0.00 H new ATOM 553 N ARG A 32 -0.220 -3.001 -13.970 1.00 0.00 N ATOM 554 CA ARG A 32 0.415 -4.323 -14.093 1.00 0.00 C ATOM 555 C ARG A 32 1.795 -4.439 -13.424 1.00 0.00 C ATOM 556 O ARG A 32 2.781 -3.936 -13.946 1.00 0.00 O ATOM 557 CB ARG A 32 0.435 -4.846 -15.548 1.00 0.00 C ATOM 558 CG ARG A 32 -0.532 -4.254 -16.590 1.00 0.00 C ATOM 559 CD ARG A 32 0.007 -3.028 -17.345 1.00 0.00 C ATOM 560 NE ARG A 32 0.998 -3.356 -18.389 1.00 0.00 N ATOM 561 CZ ARG A 32 0.811 -3.905 -19.571 1.00 0.00 C ATOM 562 NH1 ARG A 32 1.812 -3.966 -20.393 1.00 0.00 N ATOM 563 NH2 ARG A 32 -0.342 -4.373 -19.967 1.00 0.00 N ATOM 0 H ARG A 32 -1.218 -3.096 -13.783 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.236 -4.982 -13.519 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.447 -4.708 -15.929 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.253 -5.920 -15.509 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.782 -5.029 -17.315 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.459 -3.976 -16.088 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.829 -2.500 -17.804 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.461 -2.343 -16.629 1.00 0.00 H new ATOM 0 HE ARG A 32 1.965 -3.124 -18.162 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.721 -3.593 -20.118 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.691 -4.387 -21.314 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.152 -4.323 -19.349 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.432 -4.789 -20.894 1.00 0.00 H new ATOM 577 N ALA A 33 1.913 -5.211 -12.339 1.00 0.00 N ATOM 578 CA ALA A 33 3.220 -5.533 -11.737 1.00 0.00 C ATOM 579 C ALA A 33 4.213 -6.115 -12.764 1.00 0.00 C ATOM 580 O ALA A 33 5.405 -5.818 -12.737 1.00 0.00 O ATOM 581 CB ALA A 33 3.006 -6.495 -10.565 1.00 0.00 C ATOM 0 H ALA A 33 1.118 -5.628 -11.855 1.00 0.00 H new ATOM 0 HA ALA A 33 3.669 -4.608 -11.374 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.968 -6.738 -10.114 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.365 -6.024 -9.820 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.533 -7.408 -10.926 1.00 0.00 H new ATOM 587 N SER A 34 3.682 -6.873 -13.726 1.00 0.00 N ATOM 588 CA SER A 34 4.360 -7.442 -14.895 1.00 0.00 C ATOM 589 C SER A 34 5.018 -6.411 -15.832 1.00 0.00 C ATOM 590 O SER A 34 5.883 -6.774 -16.628 1.00 0.00 O ATOM 591 CB SER A 34 3.299 -8.219 -15.680 1.00 0.00 C ATOM 592 OG SER A 34 2.680 -9.184 -14.849 1.00 0.00 O ATOM 0 H SER A 34 2.694 -7.124 -13.708 1.00 0.00 H new ATOM 0 HA SER A 34 5.180 -8.061 -14.531 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.549 -7.531 -16.070 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.759 -8.709 -16.538 1.00 0.00 H new ATOM 0 HG SER A 34 2.003 -9.672 -15.363 1.00 0.00 H new ATOM 598 N ASP A 35 4.628 -5.133 -15.757 1.00 0.00 N ATOM 599 CA ASP A 35 5.193 -4.028 -16.542 1.00 0.00 C ATOM 600 C ASP A 35 6.465 -3.425 -15.912 1.00 0.00 C ATOM 601 O ASP A 35 7.255 -2.779 -16.605 1.00 0.00 O ATOM 602 CB ASP A 35 4.116 -2.944 -16.696 1.00 0.00 C ATOM 603 CG ASP A 35 4.295 -2.126 -17.979 1.00 0.00 C ATOM 604 OD1 ASP A 35 4.862 -1.010 -17.939 1.00 0.00 O ATOM 605 OD2 ASP A 35 3.808 -2.605 -19.031 1.00 0.00 O ATOM 0 H ASP A 35 3.886 -4.829 -15.127 1.00 0.00 H new ATOM 0 HA ASP A 35 5.494 -4.424 -17.512 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.131 -3.411 -16.700 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.149 -2.277 -15.835 1.00 0.00 H new ATOM 610 N TRP A 36 6.675 -3.641 -14.608 1.00 0.00 N ATOM 611 CA TRP A 36 7.786 -3.105 -13.814 1.00 0.00 C ATOM 612 C TRP A 36 8.449 -4.224 -12.976 1.00 0.00 C ATOM 613 O TRP A 36 8.356 -5.409 -13.310 1.00 0.00 O ATOM 614 CB TRP A 36 7.314 -1.862 -13.021 1.00 0.00 C ATOM 615 CG TRP A 36 5.886 -1.801 -12.579 1.00 0.00 C ATOM 616 CD1 TRP A 36 4.908 -1.182 -13.270 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.250 -2.326 -11.376 1.00 0.00 C ATOM 618 NE1 TRP A 36 3.707 -1.309 -12.605 1.00 0.00 N ATOM 619 CE2 TRP A 36 3.873 -1.945 -11.391 1.00 0.00 C ATOM 620 CE3 TRP A 36 5.698 -3.061 -10.258 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.003 -2.248 -10.332 1.00 0.00 C ATOM 622 CZ3 TRP A 36 4.829 -3.389 -9.201 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.485 -2.977 -9.227 1.00 0.00 C ATOM 0 H TRP A 36 6.046 -4.221 -14.053 1.00 0.00 H new ATOM 0 HA TRP A 36 8.586 -2.744 -14.461 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.940 -1.777 -12.133 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.510 -0.983 -13.635 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.045 -0.663 -14.207 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.812 -0.976 -12.963 1.00 0.00 H new ATOM 0 HE3 TRP A 36 6.729 -3.378 -10.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.973 -1.925 -10.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.197 -3.962 -8.363 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.827 -3.218 -8.405 1.00 0.00 H new ATOM 634 N LYS A 37 9.181 -3.865 -11.916 1.00 0.00 N ATOM 635 CA LYS A 37 9.830 -4.805 -10.991 1.00 0.00 C ATOM 636 C LYS A 37 8.796 -5.519 -10.110 1.00 0.00 C ATOM 637 O LYS A 37 8.326 -4.925 -9.146 1.00 0.00 O ATOM 638 CB LYS A 37 10.847 -4.027 -10.130 1.00 0.00 C ATOM 639 CG LYS A 37 12.104 -3.663 -10.933 1.00 0.00 C ATOM 640 CD LYS A 37 13.068 -2.813 -10.095 1.00 0.00 C ATOM 641 CE LYS A 37 14.477 -2.866 -10.694 1.00 0.00 C ATOM 642 NZ LYS A 37 15.415 -1.972 -9.965 1.00 0.00 N ATOM 0 H LYS A 37 9.344 -2.889 -11.670 1.00 0.00 H new ATOM 0 HA LYS A 37 10.348 -5.576 -11.562 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.382 -3.118 -9.749 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.128 -4.628 -9.265 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.607 -4.573 -11.260 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.819 -3.116 -11.832 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.718 -1.781 -10.060 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.087 -3.178 -9.068 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.849 -3.890 -10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.438 -2.575 -11.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.359 -2.033 -10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.072 -0.992 -10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.471 -2.265 -8.969 1.00 0.00 H new ATOM 656 N LEU A 38 8.460 -6.783 -10.398 1.00 0.00 N ATOM 657 CA LEU A 38 7.644 -7.626 -9.498 1.00 0.00 C ATOM 658 C LEU A 38 8.466 -8.605 -8.633 1.00 0.00 C ATOM 659 O LEU A 38 7.896 -9.338 -7.825 1.00 0.00 O ATOM 660 CB LEU A 38 6.457 -8.270 -10.242 1.00 0.00 C ATOM 661 CG LEU A 38 6.739 -9.346 -11.306 1.00 0.00 C ATOM 662 CD1 LEU A 38 7.304 -10.654 -10.762 1.00 0.00 C ATOM 663 CD2 LEU A 38 5.427 -9.719 -12.009 1.00 0.00 C ATOM 0 H LEU A 38 8.742 -7.254 -11.257 1.00 0.00 H new ATOM 0 HA LEU A 38 7.206 -6.955 -8.759 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.800 -8.712 -9.493 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.897 -7.469 -10.724 1.00 0.00 H new ATOM 0 HG LEU A 38 7.484 -8.898 -11.964 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.470 -11.349 -11.585 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.249 -10.459 -10.256 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.597 -11.090 -10.056 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.622 -10.481 -12.764 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.719 -10.107 -11.276 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.006 -8.834 -12.487 1.00 0.00 H new ATOM 675 N ASP A 39 9.793 -8.637 -8.812 1.00 0.00 N ATOM 676 CA ASP A 39 10.721 -9.580 -8.162 1.00 0.00 C ATOM 677 C ASP A 39 11.925 -8.889 -7.470 1.00 0.00 C ATOM 678 O ASP A 39 12.751 -9.559 -6.849 1.00 0.00 O ATOM 679 CB ASP A 39 11.198 -10.592 -9.225 1.00 0.00 C ATOM 680 CG ASP A 39 11.960 -11.801 -8.656 1.00 0.00 C ATOM 681 OD1 ASP A 39 13.036 -12.142 -9.204 1.00 0.00 O ATOM 682 OD2 ASP A 39 11.451 -12.467 -7.723 1.00 0.00 O ATOM 0 H ASP A 39 10.270 -7.985 -9.435 1.00 0.00 H new ATOM 0 HA ASP A 39 10.185 -10.085 -7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.332 -10.952 -9.780 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.841 -10.076 -9.938 1.00 0.00 H new ATOM 687 N GLN A 40 12.058 -7.558 -7.595 1.00 0.00 N ATOM 688 CA GLN A 40 13.293 -6.806 -7.312 1.00 0.00 C ATOM 689 C GLN A 40 13.044 -5.589 -6.385 1.00 0.00 C ATOM 690 O GLN A 40 12.862 -4.472 -6.879 1.00 0.00 O ATOM 691 CB GLN A 40 13.964 -6.379 -8.640 1.00 0.00 C ATOM 692 CG GLN A 40 14.094 -7.461 -9.729 1.00 0.00 C ATOM 693 CD GLN A 40 12.976 -7.387 -10.777 1.00 0.00 C ATOM 694 OE1 GLN A 40 11.787 -7.358 -10.484 1.00 0.00 O ATOM 695 NE2 GLN A 40 13.306 -7.308 -12.046 1.00 0.00 N ATOM 0 H GLN A 40 11.291 -6.960 -7.903 1.00 0.00 H new ATOM 0 HA GLN A 40 13.971 -7.466 -6.770 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.397 -5.545 -9.055 1.00 0.00 H new ATOM 0 HB3 GLN A 40 14.962 -6.004 -8.412 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.059 -7.356 -10.226 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.082 -8.445 -9.260 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.288 -7.330 -12.320 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.580 -7.225 -12.758 1.00 0.00 H new ATOM 704 N PRO A 41 13.006 -5.757 -5.047 1.00 0.00 N ATOM 705 CA PRO A 41 12.747 -4.659 -4.108 1.00 0.00 C ATOM 706 C PRO A 41 13.801 -3.542 -4.145 1.00 0.00 C ATOM 707 O PRO A 41 14.997 -3.806 -4.291 1.00 0.00 O ATOM 708 CB PRO A 41 12.689 -5.298 -2.716 1.00 0.00 C ATOM 709 CG PRO A 41 12.336 -6.756 -3.003 1.00 0.00 C ATOM 710 CD PRO A 41 13.056 -7.020 -4.324 1.00 0.00 C ATOM 0 HA PRO A 41 11.816 -4.165 -4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.643 -5.212 -2.195 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.938 -4.820 -2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 41 12.684 -7.420 -2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.260 -6.902 -3.092 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.085 -7.336 -4.155 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.567 -7.815 -4.887 1.00 0.00 H new ATOM 718 N ASP A 42 13.367 -2.296 -3.929 1.00 0.00 N ATOM 719 CA ASP A 42 14.248 -1.154 -3.627 1.00 0.00 C ATOM 720 C ASP A 42 14.289 -0.835 -2.116 1.00 0.00 C ATOM 721 O ASP A 42 15.284 -0.312 -1.612 1.00 0.00 O ATOM 722 CB ASP A 42 13.803 0.059 -4.454 1.00 0.00 C ATOM 723 CG ASP A 42 14.844 1.191 -4.394 1.00 0.00 C ATOM 724 OD1 ASP A 42 14.579 2.226 -3.738 1.00 0.00 O ATOM 725 OD2 ASP A 42 15.919 1.056 -5.027 1.00 0.00 O ATOM 0 H ASP A 42 12.379 -2.045 -3.959 1.00 0.00 H new ATOM 0 HA ASP A 42 15.269 -1.417 -3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.649 -0.242 -5.490 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.845 0.423 -4.082 1.00 0.00 H new ATOM 730 N TRP A 43 13.232 -1.208 -1.385 1.00 0.00 N ATOM 731 CA TRP A 43 13.118 -1.135 0.077 1.00 0.00 C ATOM 732 C TRP A 43 12.306 -2.323 0.609 1.00 0.00 C ATOM 733 O TRP A 43 11.369 -2.772 -0.053 1.00 0.00 O ATOM 734 CB TRP A 43 12.436 0.188 0.466 1.00 0.00 C ATOM 735 CG TRP A 43 12.104 0.359 1.920 1.00 0.00 C ATOM 736 CD1 TRP A 43 12.896 0.952 2.843 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.889 -0.037 2.639 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.257 0.964 4.068 1.00 0.00 N ATOM 739 CE2 TRP A 43 11.010 0.384 3.997 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.696 -0.707 2.288 1.00 0.00 C ATOM 741 CZ2 TRP A 43 9.989 0.189 4.939 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.669 -0.926 3.229 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.808 -0.469 4.551 1.00 0.00 C ATOM 0 H TRP A 43 12.391 -1.588 -1.819 1.00 0.00 H new ATOM 0 HA TRP A 43 14.114 -1.175 0.518 1.00 0.00 H new ATOM 0 HB2 TRP A 43 13.085 1.010 0.164 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.515 0.281 -0.109 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.879 1.355 2.651 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.659 1.354 4.920 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.568 -1.060 1.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.109 0.541 5.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.771 -1.448 2.932 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.012 -0.622 5.265 1.00 0.00 H new ATOM 754 N THR A 44 12.609 -2.804 1.818 1.00 0.00 N ATOM 755 CA THR A 44 11.722 -3.679 2.589 1.00 0.00 C ATOM 756 C THR A 44 11.676 -3.276 4.060 1.00 0.00 C ATOM 757 O THR A 44 12.619 -2.692 4.604 1.00 0.00 O ATOM 758 CB THR A 44 12.070 -5.172 2.450 1.00 0.00 C ATOM 759 OG1 THR A 44 13.082 -5.578 3.350 1.00 0.00 O ATOM 760 CG2 THR A 44 12.507 -5.635 1.065 1.00 0.00 C ATOM 0 H THR A 44 13.487 -2.594 2.294 1.00 0.00 H new ATOM 0 HA THR A 44 10.730 -3.544 2.159 1.00 0.00 H new ATOM 0 HB THR A 44 11.111 -5.640 2.674 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.490 -6.410 3.030 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.725 -6.703 1.090 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.708 -5.445 0.349 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.401 -5.089 0.764 1.00 0.00 H new ATOM 768 N GLY A 45 10.564 -3.602 4.710 1.00 0.00 N ATOM 769 CA GLY A 45 10.283 -3.231 6.088 1.00 0.00 C ATOM 770 C GLY A 45 9.020 -3.904 6.602 1.00 0.00 C ATOM 771 O GLY A 45 8.804 -5.095 6.376 1.00 0.00 O ATOM 0 H GLY A 45 9.815 -4.145 4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.127 -3.509 6.720 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.174 -2.149 6.159 1.00 0.00 H new ATOM 775 N ARG A 46 8.201 -3.125 7.301 1.00 0.00 N ATOM 776 CA ARG A 46 7.011 -3.543 8.057 1.00 0.00 C ATOM 777 C ARG A 46 5.798 -2.684 7.674 1.00 0.00 C ATOM 778 O ARG A 46 5.945 -1.512 7.326 1.00 0.00 O ATOM 779 CB ARG A 46 7.360 -3.464 9.555 1.00 0.00 C ATOM 780 CG ARG A 46 6.277 -4.038 10.483 1.00 0.00 C ATOM 781 CD ARG A 46 6.715 -4.050 11.953 1.00 0.00 C ATOM 782 NE ARG A 46 7.803 -5.025 12.184 1.00 0.00 N ATOM 783 CZ ARG A 46 9.048 -4.777 12.545 1.00 0.00 C ATOM 784 NH1 ARG A 46 9.915 -5.743 12.627 1.00 0.00 N ATOM 785 NH2 ARG A 46 9.480 -3.578 12.813 1.00 0.00 N ATOM 0 H ARG A 46 8.355 -2.119 7.363 1.00 0.00 H new ATOM 0 HA ARG A 46 6.730 -4.568 7.818 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.293 -4.000 9.728 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.537 -2.422 9.821 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.366 -3.448 10.383 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.035 -5.054 10.170 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.050 -3.054 12.243 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.863 -4.297 12.586 1.00 0.00 H new ATOM 0 HE ARG A 46 7.562 -6.007 12.048 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.634 -6.700 12.412 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.875 -5.544 12.907 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.847 -2.781 12.748 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.452 -3.436 13.088 1.00 0.00 H new ATOM 799 N LEU A 47 4.599 -3.262 7.736 1.00 0.00 N ATOM 800 CA LEU A 47 3.335 -2.592 7.406 1.00 0.00 C ATOM 801 C LEU A 47 2.560 -2.210 8.673 1.00 0.00 C ATOM 802 O LEU A 47 2.319 -3.064 9.529 1.00 0.00 O ATOM 803 CB LEU A 47 2.492 -3.548 6.544 1.00 0.00 C ATOM 804 CG LEU A 47 1.115 -2.992 6.121 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.220 -2.111 4.882 1.00 0.00 C ATOM 806 CD2 LEU A 47 0.141 -4.140 5.861 1.00 0.00 C ATOM 0 H LEU A 47 4.473 -4.232 8.024 1.00 0.00 H new ATOM 0 HA LEU A 47 3.548 -1.672 6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.058 -3.801 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.340 -4.475 7.097 1.00 0.00 H new ATOM 0 HG LEU A 47 0.742 -2.376 6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.231 -1.739 4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.881 -1.269 5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.623 -2.694 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.827 -3.736 5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.530 -4.774 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.024 -4.730 6.770 1.00 0.00 H new ATOM 818 N ARG A 48 2.032 -0.984 8.705 1.00 0.00 N ATOM 819 CA ARG A 48 0.855 -0.591 9.492 1.00 0.00 C ATOM 820 C ARG A 48 -0.259 -0.103 8.564 1.00 0.00 C ATOM 821 O ARG A 48 -0.022 0.641 7.615 1.00 0.00 O ATOM 822 CB ARG A 48 1.240 0.486 10.532 1.00 0.00 C ATOM 823 CG ARG A 48 0.977 0.092 11.991 1.00 0.00 C ATOM 824 CD ARG A 48 1.708 -1.193 12.396 1.00 0.00 C ATOM 825 NE ARG A 48 1.682 -1.393 13.857 1.00 0.00 N ATOM 826 CZ ARG A 48 2.642 -1.109 14.721 1.00 0.00 C ATOM 827 NH1 ARG A 48 2.464 -1.353 15.989 1.00 0.00 N ATOM 828 NH2 ARG A 48 3.784 -0.587 14.377 1.00 0.00 N ATOM 0 H ARG A 48 2.423 -0.211 8.167 1.00 0.00 H new ATOM 0 HA ARG A 48 0.482 -1.459 10.036 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.299 0.719 10.418 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.687 1.399 10.311 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.291 0.905 12.645 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.094 -0.042 12.140 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.244 -2.047 11.903 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.741 -1.149 12.052 1.00 0.00 H new ATOM 0 HE ARG A 48 0.828 -1.795 14.244 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.587 -1.762 16.312 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.202 -1.135 16.659 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.974 -0.376 13.397 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.489 -0.389 15.087 1.00 0.00 H new ATOM 842 N ILE A 49 -1.490 -0.483 8.874 1.00 0.00 N ATOM 843 CA ILE A 49 -2.707 0.125 8.329 1.00 0.00 C ATOM 844 C ILE A 49 -3.487 0.680 9.508 1.00 0.00 C ATOM 845 O ILE A 49 -3.614 0.032 10.546 1.00 0.00 O ATOM 846 CB ILE A 49 -3.517 -0.874 7.483 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.675 -1.296 6.261 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.869 -0.293 7.040 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.436 -2.146 5.246 1.00 0.00 C ATOM 0 H ILE A 49 -1.681 -1.242 9.528 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.465 0.932 7.637 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.739 -1.746 8.097 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.302 -0.401 5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.805 -1.854 6.607 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.406 -1.033 6.446 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.460 -0.035 7.919 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.702 0.602 6.440 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.776 -2.401 4.417 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.786 -3.060 5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.291 -1.584 4.869 1.00 0.00 H new ATOM 861 N THR A 50 -3.979 1.899 9.354 1.00 0.00 N ATOM 862 CA THR A 50 -4.579 2.712 10.418 1.00 0.00 C ATOM 863 C THR A 50 -5.785 3.481 9.852 1.00 0.00 C ATOM 864 O THR A 50 -5.954 3.522 8.636 1.00 0.00 O ATOM 865 CB THR A 50 -3.532 3.695 10.963 1.00 0.00 C ATOM 866 OG1 THR A 50 -3.199 4.603 9.949 1.00 0.00 O ATOM 867 CG2 THR A 50 -2.203 3.074 11.402 1.00 0.00 C ATOM 0 H THR A 50 -3.975 2.374 8.452 1.00 0.00 H new ATOM 0 HA THR A 50 -4.916 2.068 11.230 1.00 0.00 H new ATOM 0 HB THR A 50 -4.003 4.136 11.842 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.892 4.112 9.158 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.539 3.857 11.769 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.384 2.350 12.196 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.738 2.572 10.553 1.00 0.00 H new ATOM 875 N SER A 51 -6.627 4.099 10.685 1.00 0.00 N ATOM 876 CA SER A 51 -7.763 4.933 10.271 1.00 0.00 C ATOM 877 C SER A 51 -8.143 5.972 11.323 1.00 0.00 C ATOM 878 O SER A 51 -8.217 5.685 12.517 1.00 0.00 O ATOM 879 CB SER A 51 -8.987 4.068 9.957 1.00 0.00 C ATOM 880 OG SER A 51 -10.174 4.837 9.969 1.00 0.00 O ATOM 0 H SER A 51 -6.535 4.032 11.699 1.00 0.00 H new ATOM 0 HA SER A 51 -7.441 5.462 9.374 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.864 3.600 8.980 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.064 3.264 10.689 1.00 0.00 H new ATOM 0 HG SER A 51 -10.763 4.541 9.244 1.00 0.00 H new ATOM 886 N LYS A 52 -8.436 7.184 10.857 1.00 0.00 N ATOM 887 CA LYS A 52 -9.011 8.298 11.629 1.00 0.00 C ATOM 888 C LYS A 52 -10.550 8.418 11.464 1.00 0.00 C ATOM 889 O LYS A 52 -11.181 9.243 12.124 1.00 0.00 O ATOM 890 CB LYS A 52 -8.231 9.547 11.193 1.00 0.00 C ATOM 891 CG LYS A 52 -8.389 10.792 12.074 1.00 0.00 C ATOM 892 CD LYS A 52 -8.078 12.069 11.286 1.00 0.00 C ATOM 893 CE LYS A 52 -6.749 12.070 10.521 1.00 0.00 C ATOM 894 NZ LYS A 52 -6.654 13.238 9.617 1.00 0.00 N ATOM 0 H LYS A 52 -8.273 7.435 9.882 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.902 8.141 12.702 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.172 9.291 11.150 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.538 9.805 10.179 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.406 10.840 12.463 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.723 10.720 12.933 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.886 12.241 10.575 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.078 12.911 11.979 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.919 12.085 11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.658 11.151 9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.581 12.910 8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.503 13.829 9.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.811 13.797 9.859 1.00 0.00 H new ATOM 908 N GLY A 53 -11.177 7.614 10.597 1.00 0.00 N ATOM 909 CA GLY A 53 -12.620 7.668 10.296 1.00 0.00 C ATOM 910 C GLY A 53 -12.977 6.950 8.990 1.00 0.00 C ATOM 911 O GLY A 53 -12.689 5.764 8.834 1.00 0.00 O ATOM 0 H GLY A 53 -10.688 6.890 10.071 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.176 7.217 11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.935 8.709 10.232 1.00 0.00 H new ATOM 915 N LYS A 54 -13.536 7.673 8.008 1.00 0.00 N ATOM 916 CA LYS A 54 -13.631 7.228 6.596 1.00 0.00 C ATOM 917 C LYS A 54 -12.274 7.225 5.876 1.00 0.00 C ATOM 918 O LYS A 54 -12.174 6.783 4.735 1.00 0.00 O ATOM 919 CB LYS A 54 -14.729 8.046 5.881 1.00 0.00 C ATOM 920 CG LYS A 54 -15.080 7.562 4.462 1.00 0.00 C ATOM 921 CD LYS A 54 -16.190 8.418 3.840 1.00 0.00 C ATOM 922 CE LYS A 54 -16.469 8.074 2.366 1.00 0.00 C ATOM 923 NZ LYS A 54 -15.353 8.466 1.460 1.00 0.00 N ATOM 0 H LYS A 54 -13.942 8.595 8.167 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.930 6.180 6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.633 8.024 6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.408 9.086 5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.191 7.601 3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.399 6.520 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.106 8.288 4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.913 9.470 3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.645 7.002 2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.383 8.576 2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.702 8.517 0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.985 9.396 1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.592 7.759 1.520 1.00 0.00 H new ATOM 937 N THR A 55 -11.207 7.642 6.551 1.00 0.00 N ATOM 938 CA THR A 55 -9.878 7.764 5.959 1.00 0.00 C ATOM 939 C THR A 55 -8.923 6.810 6.650 1.00 0.00 C ATOM 940 O THR A 55 -8.642 6.966 7.842 1.00 0.00 O ATOM 941 CB THR A 55 -9.340 9.204 6.029 1.00 0.00 C ATOM 942 OG1 THR A 55 -10.377 10.167 5.994 1.00 0.00 O ATOM 943 CG2 THR A 55 -8.451 9.462 4.821 1.00 0.00 C ATOM 0 H THR A 55 -11.241 7.908 7.535 1.00 0.00 H new ATOM 0 HA THR A 55 -9.958 7.504 4.903 1.00 0.00 H new ATOM 0 HB THR A 55 -8.798 9.298 6.970 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.990 11.066 6.042 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.066 10.481 4.864 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.618 8.759 4.825 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.031 9.331 3.908 1.00 0.00 H new ATOM 951 N ALA A 56 -8.432 5.826 5.898 1.00 0.00 N ATOM 952 CA ALA A 56 -7.341 4.963 6.321 1.00 0.00 C ATOM 953 C ALA A 56 -5.996 5.542 5.864 1.00 0.00 C ATOM 954 O ALA A 56 -5.923 6.294 4.891 1.00 0.00 O ATOM 955 CB ALA A 56 -7.588 3.509 5.888 1.00 0.00 C ATOM 0 H ALA A 56 -8.788 5.607 4.968 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.298 4.932 7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.757 2.885 6.217 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.513 3.148 6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.669 3.462 4.802 1.00 0.00 H new ATOM 961 N TYR A 57 -4.921 5.197 6.568 1.00 0.00 N ATOM 962 CA TYR A 57 -3.568 5.623 6.239 1.00 0.00 C ATOM 963 C TYR A 57 -2.686 4.377 6.216 1.00 0.00 C ATOM 964 O TYR A 57 -2.550 3.674 7.223 1.00 0.00 O ATOM 965 CB TYR A 57 -3.081 6.713 7.215 1.00 0.00 C ATOM 966 CG TYR A 57 -3.973 7.944 7.299 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.629 9.114 6.596 1.00 0.00 C ATOM 968 CD2 TYR A 57 -5.154 7.919 8.073 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.488 10.231 6.618 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.023 9.024 8.079 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.700 10.178 7.338 1.00 0.00 C ATOM 972 OH TYR A 57 -6.559 11.234 7.319 1.00 0.00 O ATOM 0 H TYR A 57 -4.969 4.604 7.396 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.526 6.091 5.256 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.994 6.277 8.210 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.081 7.027 6.916 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.705 9.156 6.039 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.391 7.046 8.663 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.218 11.129 6.083 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.938 8.988 8.652 1.00 0.00 H new ATOM 0 HH TYR A 57 -7.344 11.027 7.868 1.00 0.00 H new ATOM 982 N ILE A 58 -2.111 4.083 5.048 1.00 0.00 N ATOM 983 CA ILE A 58 -1.108 3.026 4.899 1.00 0.00 C ATOM 984 C ILE A 58 0.215 3.613 5.382 1.00 0.00 C ATOM 985 O ILE A 58 0.766 4.488 4.718 1.00 0.00 O ATOM 986 CB ILE A 58 -0.980 2.535 3.438 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.306 2.327 2.675 1.00 0.00 C ATOM 988 CG2 ILE A 58 -0.111 1.268 3.425 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.240 1.261 3.247 1.00 0.00 C ATOM 0 H ILE A 58 -2.327 4.571 4.179 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.401 2.153 5.482 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.506 3.344 2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.841 3.276 2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.073 2.064 1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.010 0.907 2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.875 1.499 3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.581 0.498 4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.139 1.199 2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.734 0.296 3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.514 1.527 4.268 1.00 0.00 H new ATOM 1001 N LYS A 59 0.709 3.175 6.538 1.00 0.00 N ATOM 1002 CA LYS A 59 1.983 3.616 7.135 1.00 0.00 C ATOM 1003 C LYS A 59 3.039 2.519 6.924 1.00 0.00 C ATOM 1004 O LYS A 59 2.870 1.399 7.407 1.00 0.00 O ATOM 1005 CB LYS A 59 1.799 3.943 8.637 1.00 0.00 C ATOM 1006 CG LYS A 59 0.503 4.674 9.058 1.00 0.00 C ATOM 1007 CD LYS A 59 0.416 6.177 8.757 1.00 0.00 C ATOM 1008 CE LYS A 59 1.272 6.981 9.744 1.00 0.00 C ATOM 1009 NZ LYS A 59 0.896 8.416 9.778 1.00 0.00 N ATOM 0 H LYS A 59 0.224 2.482 7.108 1.00 0.00 H new ATOM 0 HA LYS A 59 2.321 4.530 6.647 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.853 3.007 9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.646 4.551 8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.337 4.182 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.371 4.536 10.131 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.752 6.368 7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.622 6.505 8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.166 6.556 10.742 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.323 6.890 9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.443 8.901 10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.101 8.851 8.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.120 8.504 9.984 1.00 0.00 H new ATOM 1023 N LEU A 60 4.128 2.808 6.214 1.00 0.00 N ATOM 1024 CA LEU A 60 5.232 1.858 6.008 1.00 0.00 C ATOM 1025 C LEU A 60 6.394 2.188 6.952 1.00 0.00 C ATOM 1026 O LEU A 60 6.795 3.344 7.067 1.00 0.00 O ATOM 1027 CB LEU A 60 5.659 1.863 4.532 1.00 0.00 C ATOM 1028 CG LEU A 60 4.621 1.258 3.568 1.00 0.00 C ATOM 1029 CD1 LEU A 60 5.074 1.494 2.130 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.464 -0.254 3.761 1.00 0.00 C ATOM 0 H LEU A 60 4.275 3.710 5.761 1.00 0.00 H new ATOM 0 HA LEU A 60 4.899 0.848 6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.863 2.890 4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.593 1.310 4.435 1.00 0.00 H new ATOM 0 HG LEU A 60 3.667 1.741 3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.343 1.068 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.162 2.565 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.042 1.018 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.722 -0.635 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.420 -0.745 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.138 -0.459 4.781 1.00 0.00 H new ATOM 1042 N GLU A 61 6.924 1.177 7.637 1.00 0.00 N ATOM 1043 CA GLU A 61 7.793 1.328 8.811 1.00 0.00 C ATOM 1044 C GLU A 61 9.086 0.503 8.688 1.00 0.00 C ATOM 1045 O GLU A 61 9.101 -0.559 8.064 1.00 0.00 O ATOM 1046 CB GLU A 61 7.019 0.916 10.077 1.00 0.00 C ATOM 1047 CG GLU A 61 5.730 1.722 10.309 1.00 0.00 C ATOM 1048 CD GLU A 61 5.053 1.355 11.645 1.00 0.00 C ATOM 1049 OE1 GLU A 61 4.865 0.148 11.932 1.00 0.00 O ATOM 1050 OE2 GLU A 61 4.677 2.272 12.413 1.00 0.00 O ATOM 0 H GLU A 61 6.759 0.202 7.387 1.00 0.00 H new ATOM 0 HA GLU A 61 8.087 2.376 8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.767 -0.142 10.009 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.670 1.033 10.943 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.962 2.787 10.300 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.036 1.540 9.489 1.00 0.00 H new ATOM 1057 N ASP A 62 10.185 0.954 9.297 1.00 0.00 N ATOM 1058 CA ASP A 62 11.471 0.273 9.270 1.00 0.00 C ATOM 1059 C ASP A 62 11.431 -1.004 10.125 1.00 0.00 C ATOM 1060 O ASP A 62 10.904 -1.010 11.243 1.00 0.00 O ATOM 1061 CB ASP A 62 12.542 1.269 9.734 1.00 0.00 C ATOM 1062 CG ASP A 62 13.904 0.594 9.876 1.00 0.00 C ATOM 1063 OD1 ASP A 62 14.682 0.561 8.895 1.00 0.00 O ATOM 1064 OD2 ASP A 62 14.152 0.053 10.975 1.00 0.00 O ATOM 0 H ASP A 62 10.201 1.822 9.833 1.00 0.00 H new ATOM 0 HA ASP A 62 11.715 -0.057 8.260 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.613 2.089 9.019 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.248 1.704 10.689 1.00 0.00 H new ATOM 1069 N LYS A 63 12.017 -2.091 9.609 1.00 0.00 N ATOM 1070 CA LYS A 63 11.960 -3.431 10.222 1.00 0.00 C ATOM 1071 C LYS A 63 12.680 -3.533 11.576 1.00 0.00 C ATOM 1072 O LYS A 63 12.463 -4.501 12.307 1.00 0.00 O ATOM 1073 CB LYS A 63 12.506 -4.471 9.221 1.00 0.00 C ATOM 1074 CG LYS A 63 11.584 -5.698 9.117 1.00 0.00 C ATOM 1075 CD LYS A 63 12.069 -6.738 8.093 1.00 0.00 C ATOM 1076 CE LYS A 63 12.071 -6.184 6.661 1.00 0.00 C ATOM 1077 NZ LYS A 63 12.510 -7.198 5.674 1.00 0.00 N ATOM 0 H LYS A 63 12.553 -2.068 8.741 1.00 0.00 H new ATOM 0 HA LYS A 63 10.913 -3.636 10.445 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.611 -4.010 8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.501 -4.789 9.532 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.508 -6.171 10.096 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.582 -5.369 8.843 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.075 -7.063 8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.427 -7.618 8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.070 -5.838 6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.730 -5.318 6.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.725 -6.732 4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.362 -7.680 6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.752 -7.895 5.532 1.00 0.00 H new ATOM 1091 N VAL A 64 13.499 -2.541 11.930 1.00 0.00 N ATOM 1092 CA VAL A 64 14.401 -2.535 13.090 1.00 0.00 C ATOM 1093 C VAL A 64 13.936 -1.541 14.150 1.00 0.00 C ATOM 1094 O VAL A 64 13.987 -1.858 15.341 1.00 0.00 O ATOM 1095 CB VAL A 64 15.849 -2.199 12.660 1.00 0.00 C ATOM 1096 CG1 VAL A 64 16.850 -2.703 13.705 1.00 0.00 C ATOM 1097 CG2 VAL A 64 16.233 -2.794 11.296 1.00 0.00 C ATOM 0 H VAL A 64 13.556 -1.677 11.391 1.00 0.00 H new ATOM 0 HA VAL A 64 14.381 -3.536 13.521 1.00 0.00 H new ATOM 0 HB VAL A 64 15.887 -1.113 12.576 1.00 0.00 H new ATOM 0 HG11 VAL A 64 17.863 -2.458 13.386 1.00 0.00 H new ATOM 0 HG12 VAL A 64 16.646 -2.226 14.664 1.00 0.00 H new ATOM 0 HG13 VAL A 64 16.754 -3.784 13.809 1.00 0.00 H new ATOM 0 HG21 VAL A 64 17.260 -2.520 11.056 1.00 0.00 H new ATOM 0 HG22 VAL A 64 16.147 -3.880 11.335 1.00 0.00 H new ATOM 0 HG23 VAL A 64 15.565 -2.405 10.528 1.00 0.00 H new ATOM 1107 N SER A 65 13.442 -0.371 13.727 1.00 0.00 N ATOM 1108 CA SER A 65 13.168 0.756 14.632 1.00 0.00 C ATOM 1109 C SER A 65 11.764 1.361 14.488 1.00 0.00 C ATOM 1110 O SER A 65 11.414 2.277 15.234 1.00 0.00 O ATOM 1111 CB SER A 65 14.240 1.841 14.447 1.00 0.00 C ATOM 1112 OG SER A 65 15.533 1.337 14.759 1.00 0.00 O ATOM 0 H SER A 65 13.221 -0.177 12.750 1.00 0.00 H new ATOM 0 HA SER A 65 13.205 0.349 15.642 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.224 2.201 13.418 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.014 2.694 15.087 1.00 0.00 H new ATOM 0 HG SER A 65 16.199 2.045 14.632 1.00 0.00 H new ATOM 1118 N GLY A 66 10.948 0.875 13.543 1.00 0.00 N ATOM 1119 CA GLY A 66 9.581 1.362 13.309 1.00 0.00 C ATOM 1120 C GLY A 66 9.493 2.769 12.697 1.00 0.00 C ATOM 1121 O GLY A 66 8.416 3.363 12.678 1.00 0.00 O ATOM 0 H GLY A 66 11.222 0.123 12.911 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.069 0.662 12.649 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.042 1.359 14.257 1.00 0.00 H new ATOM 1125 N GLU A 67 10.608 3.323 12.209 1.00 0.00 N ATOM 1126 CA GLU A 67 10.672 4.675 11.629 1.00 0.00 C ATOM 1127 C GLU A 67 9.948 4.740 10.274 1.00 0.00 C ATOM 1128 O GLU A 67 10.000 3.785 9.497 1.00 0.00 O ATOM 1129 CB GLU A 67 12.133 5.134 11.482 1.00 0.00 C ATOM 1130 CG GLU A 67 12.854 5.251 12.832 1.00 0.00 C ATOM 1131 CD GLU A 67 14.262 5.848 12.657 1.00 0.00 C ATOM 1132 OE1 GLU A 67 15.230 5.080 12.439 1.00 0.00 O ATOM 1133 OE2 GLU A 67 14.415 7.091 12.745 1.00 0.00 O ATOM 0 H GLU A 67 11.506 2.840 12.204 1.00 0.00 H new ATOM 0 HA GLU A 67 10.161 5.353 12.313 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.670 4.428 10.848 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.158 6.099 10.976 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.271 5.878 13.506 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.928 4.267 13.295 1.00 0.00 H new ATOM 1140 N LEU A 68 9.268 5.852 9.974 1.00 0.00 N ATOM 1141 CA LEU A 68 8.405 5.956 8.793 1.00 0.00 C ATOM 1142 C LEU A 68 9.221 6.024 7.484 1.00 0.00 C ATOM 1143 O LEU A 68 10.003 6.954 7.271 1.00 0.00 O ATOM 1144 CB LEU A 68 7.460 7.166 8.953 1.00 0.00 C ATOM 1145 CG LEU A 68 6.283 7.161 7.957 1.00 0.00 C ATOM 1146 CD1 LEU A 68 5.186 6.181 8.379 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.654 8.552 7.879 1.00 0.00 C ATOM 0 H LEU A 68 9.300 6.700 10.539 1.00 0.00 H new ATOM 0 HA LEU A 68 7.802 5.051 8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.066 7.178 9.969 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.033 8.084 8.822 1.00 0.00 H new ATOM 0 HG LEU A 68 6.688 6.858 6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.375 6.207 7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.598 5.173 8.427 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.803 6.464 9.360 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.824 8.537 7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.287 8.841 8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.402 9.271 7.545 1.00 0.00 H new ATOM 1159 N PHE A 69 8.992 5.063 6.589 1.00 0.00 N ATOM 1160 CA PHE A 69 9.492 5.051 5.209 1.00 0.00 C ATOM 1161 C PHE A 69 8.613 5.919 4.296 1.00 0.00 C ATOM 1162 O PHE A 69 9.117 6.795 3.591 1.00 0.00 O ATOM 1163 CB PHE A 69 9.543 3.595 4.723 1.00 0.00 C ATOM 1164 CG PHE A 69 9.771 3.425 3.231 1.00 0.00 C ATOM 1165 CD1 PHE A 69 10.927 3.951 2.625 1.00 0.00 C ATOM 1166 CD2 PHE A 69 8.834 2.727 2.446 1.00 0.00 C ATOM 1167 CE1 PHE A 69 11.138 3.783 1.246 1.00 0.00 C ATOM 1168 CE2 PHE A 69 9.057 2.540 1.071 1.00 0.00 C ATOM 1169 CZ PHE A 69 10.204 3.077 0.464 1.00 0.00 C ATOM 0 H PHE A 69 8.433 4.240 6.811 1.00 0.00 H new ATOM 0 HA PHE A 69 10.494 5.478 5.176 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.338 3.076 5.258 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.607 3.105 4.991 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.653 4.485 3.221 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.938 2.333 2.903 1.00 0.00 H new ATOM 0 HE1 PHE A 69 12.021 4.198 0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.345 1.982 0.480 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.369 2.949 -0.596 1.00 0.00 H new ATOM 1179 N ALA A 70 7.297 5.692 4.340 1.00 0.00 N ATOM 1180 CA ALA A 70 6.290 6.429 3.580 1.00 0.00 C ATOM 1181 C ALA A 70 4.904 6.317 4.238 1.00 0.00 C ATOM 1182 O ALA A 70 4.662 5.417 5.047 1.00 0.00 O ATOM 1183 CB ALA A 70 6.241 5.873 2.151 1.00 0.00 C ATOM 0 H ALA A 70 6.892 4.963 4.928 1.00 0.00 H new ATOM 0 HA ALA A 70 6.564 7.484 3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.492 6.416 1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.217 5.992 1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.979 4.815 2.181 1.00 0.00 H new ATOM 1189 N GLN A 71 3.977 7.195 3.848 1.00 0.00 N ATOM 1190 CA GLN A 71 2.560 7.094 4.214 1.00 0.00 C ATOM 1191 C GLN A 71 1.640 7.466 3.044 1.00 0.00 C ATOM 1192 O GLN A 71 1.901 8.452 2.357 1.00 0.00 O ATOM 1193 CB GLN A 71 2.251 7.921 5.475 1.00 0.00 C ATOM 1194 CG GLN A 71 2.605 9.418 5.347 1.00 0.00 C ATOM 1195 CD GLN A 71 2.357 10.206 6.629 1.00 0.00 C ATOM 1196 OE1 GLN A 71 1.576 9.830 7.491 1.00 0.00 O ATOM 1197 NE2 GLN A 71 3.010 11.333 6.814 1.00 0.00 N ATOM 0 H GLN A 71 4.190 8.004 3.264 1.00 0.00 H new ATOM 0 HA GLN A 71 2.356 6.050 4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.190 7.828 5.707 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.800 7.499 6.317 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.654 9.514 5.066 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.018 9.856 4.540 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.666 11.664 6.107 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.860 11.876 7.665 1.00 0.00 H new ATOM 1206 N ALA A 72 0.557 6.712 2.827 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.476 7.020 1.830 1.00 0.00 C ATOM 1208 C ALA A 72 -1.858 7.218 2.489 1.00 0.00 C ATOM 1209 O ALA A 72 -2.378 6.263 3.079 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.548 5.909 0.776 1.00 0.00 C ATOM 0 H ALA A 72 0.370 5.855 3.348 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.199 7.956 1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.318 6.151 0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.415 5.821 0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.792 4.963 1.260 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.488 8.406 2.382 1.00 0.00 N ATOM 1217 CA PRO A 73 -3.863 8.630 2.829 1.00 0.00 C ATOM 1218 C PRO A 73 -4.876 8.089 1.805 1.00 0.00 C ATOM 1219 O PRO A 73 -4.783 8.413 0.617 1.00 0.00 O ATOM 1220 CB PRO A 73 -3.974 10.149 2.997 1.00 0.00 C ATOM 1221 CG PRO A 73 -3.008 10.704 1.950 1.00 0.00 C ATOM 1222 CD PRO A 73 -1.896 9.655 1.908 1.00 0.00 C ATOM 0 HA PRO A 73 -4.088 8.105 3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.993 10.497 2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.696 10.461 4.003 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.490 10.819 0.979 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.626 11.684 2.234 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.508 9.541 0.896 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.058 9.952 2.539 1.00 0.00 H new ATOM 1230 N VAL A 74 -5.853 7.293 2.252 1.00 0.00 N ATOM 1231 CA VAL A 74 -6.901 6.678 1.415 1.00 0.00 C ATOM 1232 C VAL A 74 -8.300 6.999 1.955 1.00 0.00 C ATOM 1233 O VAL A 74 -8.563 6.794 3.136 1.00 0.00 O ATOM 1234 CB VAL A 74 -6.698 5.150 1.218 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -5.229 4.705 1.146 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -7.320 4.226 2.263 1.00 0.00 C ATOM 0 H VAL A 74 -5.943 7.048 3.238 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.812 7.124 0.425 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.219 5.040 0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.182 3.625 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.740 5.200 0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.721 4.974 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.104 3.189 2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.902 4.452 3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.399 4.377 2.286 1.00 0.00 H new ATOM 1246 N GLU A 75 -9.223 7.462 1.103 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.618 7.772 1.489 1.00 0.00 C ATOM 1248 C GLU A 75 -11.667 6.982 0.679 1.00 0.00 C ATOM 1249 O GLU A 75 -12.872 7.229 0.778 1.00 0.00 O ATOM 1250 CB GLU A 75 -10.869 9.291 1.416 1.00 0.00 C ATOM 1251 CG GLU A 75 -11.899 9.753 2.461 1.00 0.00 C ATOM 1252 CD GLU A 75 -12.696 10.982 1.988 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -12.122 12.093 1.885 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -13.915 10.831 1.722 1.00 0.00 O ATOM 0 H GLU A 75 -9.028 7.636 0.117 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.742 7.445 2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.930 9.822 1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.221 9.553 0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.588 8.936 2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.387 9.991 3.393 1.00 0.00 H new ATOM 1261 N GLN A 76 -11.207 6.028 -0.136 1.00 0.00 N ATOM 1262 CA GLN A 76 -12.007 5.107 -0.933 1.00 0.00 C ATOM 1263 C GLN A 76 -11.185 3.845 -1.247 1.00 0.00 C ATOM 1264 O GLN A 76 -9.964 3.928 -1.418 1.00 0.00 O ATOM 1265 CB GLN A 76 -12.517 5.801 -2.216 1.00 0.00 C ATOM 1266 CG GLN A 76 -11.491 6.056 -3.338 1.00 0.00 C ATOM 1267 CD GLN A 76 -10.340 6.994 -2.972 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -10.411 8.205 -3.124 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -9.222 6.478 -2.498 1.00 0.00 N ATOM 0 H GLN A 76 -10.207 5.873 -0.261 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.886 4.803 -0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.324 5.196 -2.628 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.951 6.760 -1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.073 5.099 -3.649 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.015 6.470 -4.199 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.142 5.470 -2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.437 7.087 -2.266 1.00 0.00 H new ATOM 1278 N TYR A 77 -11.852 2.698 -1.371 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.236 1.425 -1.757 1.00 0.00 C ATOM 1280 C TYR A 77 -12.077 0.626 -2.776 1.00 0.00 C ATOM 1281 O TYR A 77 -13.270 0.410 -2.529 1.00 0.00 O ATOM 1282 CB TYR A 77 -10.959 0.572 -0.513 1.00 0.00 C ATOM 1283 CG TYR A 77 -10.112 -0.635 -0.829 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -10.637 -1.932 -0.984 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -8.752 -0.405 -1.038 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -9.786 -2.981 -1.385 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -7.902 -1.433 -1.456 1.00 0.00 C ATOM 1288 CZ TYR A 77 -8.416 -2.733 -1.632 1.00 0.00 C ATOM 1289 OH TYR A 77 -7.599 -3.735 -2.046 1.00 0.00 O ATOM 0 H TYR A 77 -12.855 2.624 -1.203 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.297 1.671 -2.253 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.456 1.181 0.238 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.905 0.247 -0.079 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.684 -2.121 -0.797 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.349 0.584 -0.874 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.182 -3.979 -1.504 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.857 -1.232 -1.643 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.038 -4.598 -1.896 1.00 0.00 H new ATOM 1299 N PRO A 78 -11.476 0.140 -3.884 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.189 0.572 -4.450 1.00 0.00 C ATOM 1301 C PRO A 78 -10.193 2.061 -4.851 1.00 0.00 C ATOM 1302 O PRO A 78 -11.252 2.687 -4.939 1.00 0.00 O ATOM 1303 CB PRO A 78 -9.947 -0.333 -5.666 1.00 0.00 C ATOM 1304 CG PRO A 78 -10.825 -1.554 -5.393 1.00 0.00 C ATOM 1305 CD PRO A 78 -12.030 -0.932 -4.692 1.00 0.00 C ATOM 0 HA PRO A 78 -9.392 0.481 -3.712 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.228 0.162 -6.595 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -8.896 -0.608 -5.757 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.108 -2.066 -6.313 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.320 -2.286 -4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.754 -0.551 -5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.550 -1.664 -4.075 1.00 0.00 H new ATOM 1313 N GLY A 79 -9.016 2.642 -5.098 1.00 0.00 N ATOM 1314 CA GLY A 79 -8.878 4.046 -5.512 1.00 0.00 C ATOM 1315 C GLY A 79 -7.525 4.384 -6.147 1.00 0.00 C ATOM 1316 O GLY A 79 -6.819 3.507 -6.642 1.00 0.00 O ATOM 0 H GLY A 79 -8.126 2.151 -5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.670 4.283 -6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.029 4.686 -4.643 1.00 0.00 H new ATOM 1320 N ILE A 80 -7.142 5.665 -6.106 1.00 0.00 N ATOM 1321 CA ILE A 80 -5.807 6.121 -6.546 1.00 0.00 C ATOM 1322 C ILE A 80 -4.766 5.882 -5.453 1.00 0.00 C ATOM 1323 O ILE A 80 -3.593 5.639 -5.737 1.00 0.00 O ATOM 1324 CB ILE A 80 -5.850 7.604 -6.994 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.538 8.116 -7.629 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -6.184 8.573 -5.842 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -4.030 7.285 -8.811 1.00 0.00 C ATOM 0 H ILE A 80 -7.743 6.417 -5.769 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.508 5.532 -7.413 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.642 7.600 -7.743 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.689 9.143 -7.963 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.765 8.141 -6.861 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.199 9.595 -6.219 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.162 8.324 -5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.428 8.485 -5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.106 7.720 -9.191 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.842 6.263 -8.483 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.780 7.280 -9.602 1.00 0.00 H new ATOM 1339 N ALA A 81 -5.204 5.920 -4.192 1.00 0.00 N ATOM 1340 CA ALA A 81 -4.326 5.776 -3.052 1.00 0.00 C ATOM 1341 C ALA A 81 -3.973 4.324 -2.736 1.00 0.00 C ATOM 1342 O ALA A 81 -2.940 4.107 -2.115 1.00 0.00 O ATOM 1343 CB ALA A 81 -4.922 6.494 -1.858 1.00 0.00 C ATOM 0 H ALA A 81 -6.184 6.053 -3.943 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.375 6.243 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.259 6.385 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.041 7.552 -2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.895 6.063 -1.622 1.00 0.00 H new ATOM 1349 N VAL A 82 -4.780 3.345 -3.161 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.471 1.921 -3.087 1.00 0.00 C ATOM 1351 C VAL A 82 -5.206 1.184 -4.223 1.00 0.00 C ATOM 1352 O VAL A 82 -6.418 1.328 -4.403 1.00 0.00 O ATOM 1353 CB VAL A 82 -4.816 1.407 -1.685 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.231 1.782 -1.263 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.479 -0.078 -1.589 1.00 0.00 C ATOM 0 H VAL A 82 -5.692 3.532 -3.578 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.408 1.732 -3.234 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.195 1.911 -0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.427 1.395 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.334 2.867 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.946 1.352 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.725 -0.443 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.056 -0.631 -2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.415 -0.222 -1.776 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.467 0.408 -5.012 1.00 0.00 N ATOM 1366 CA GLU A 83 -4.946 -0.300 -6.208 1.00 0.00 C ATOM 1367 C GLU A 83 -4.306 -1.688 -6.336 1.00 0.00 C ATOM 1368 O GLU A 83 -3.146 -1.878 -5.972 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.620 0.541 -7.462 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.812 0.747 -8.404 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.250 -0.553 -9.099 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -6.998 -1.344 -8.475 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -5.843 -0.786 -10.262 1.00 0.00 O ATOM 0 H GLU A 83 -3.476 0.245 -4.833 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.023 -0.437 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.247 1.515 -7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.815 0.055 -8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.651 1.152 -7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.549 1.487 -9.159 1.00 0.00 H new ATOM 1380 N THR A 84 -5.023 -2.647 -6.921 1.00 0.00 N ATOM 1381 CA THR A 84 -4.488 -3.969 -7.272 1.00 0.00 C ATOM 1382 C THR A 84 -4.123 -3.988 -8.750 1.00 0.00 C ATOM 1383 O THR A 84 -4.875 -4.462 -9.595 1.00 0.00 O ATOM 1384 CB THR A 84 -5.452 -5.112 -6.959 1.00 0.00 C ATOM 1385 OG1 THR A 84 -6.165 -4.927 -5.753 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.703 -6.431 -6.834 1.00 0.00 C ATOM 0 H THR A 84 -6.005 -2.529 -7.169 1.00 0.00 H new ATOM 0 HA THR A 84 -3.604 -4.132 -6.656 1.00 0.00 H new ATOM 0 HB THR A 84 -6.156 -5.126 -7.791 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.765 -5.688 -5.608 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.409 -7.231 -6.611 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.192 -6.649 -7.772 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.971 -6.359 -6.030 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.928 -3.473 -9.019 1.00 0.00 N ATOM 1395 CA VAL A 85 -2.040 -3.763 -10.166 1.00 0.00 C ATOM 1396 C VAL A 85 -2.724 -4.077 -11.509 1.00 0.00 C ATOM 1397 O VAL A 85 -2.770 -3.215 -12.390 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.992 -4.823 -9.769 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.104 -4.144 -8.946 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.537 -5.990 -8.930 1.00 0.00 C ATOM 0 H VAL A 85 -2.510 -2.783 -8.395 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.543 -2.818 -10.384 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.632 -5.245 -10.707 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.853 -4.882 -8.658 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.575 -3.363 -9.542 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.334 -3.703 -8.051 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.727 -6.682 -8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.959 -5.605 -8.002 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.312 -6.512 -9.492 1.00 0.00 H new ATOM 1410 N THR A 86 -3.243 -5.296 -11.659 1.00 0.00 N ATOM 1411 CA THR A 86 -4.392 -5.627 -12.524 1.00 0.00 C ATOM 1412 C THR A 86 -5.382 -6.542 -11.808 1.00 0.00 C ATOM 1413 O THR A 86 -6.586 -6.284 -11.836 1.00 0.00 O ATOM 1414 CB THR A 86 -3.994 -6.331 -13.826 1.00 0.00 C ATOM 1415 OG1 THR A 86 -3.039 -7.332 -13.581 1.00 0.00 O ATOM 1416 CG2 THR A 86 -3.397 -5.335 -14.803 1.00 0.00 C ATOM 0 H THR A 86 -2.869 -6.110 -11.170 1.00 0.00 H new ATOM 0 HA THR A 86 -4.842 -4.663 -12.762 1.00 0.00 H new ATOM 0 HB THR A 86 -4.895 -6.778 -14.247 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.800 -7.770 -14.425 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.119 -5.850 -15.723 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.131 -4.561 -15.028 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.511 -4.878 -14.361 1.00 0.00 H new ATOM 1424 N ASP A 87 -4.884 -7.612 -11.172 1.00 0.00 N ATOM 1425 CA ASP A 87 -5.747 -8.618 -10.534 1.00 0.00 C ATOM 1426 C ASP A 87 -5.093 -9.423 -9.394 1.00 0.00 C ATOM 1427 O ASP A 87 -5.577 -9.371 -8.266 1.00 0.00 O ATOM 1428 CB ASP A 87 -6.278 -9.570 -11.612 1.00 0.00 C ATOM 1429 CG ASP A 87 -7.525 -10.318 -11.119 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -8.576 -9.667 -10.905 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -7.460 -11.545 -10.896 1.00 0.00 O ATOM 0 H ASP A 87 -3.886 -7.804 -11.085 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.552 -8.062 -10.053 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.520 -9.006 -12.513 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.503 -10.287 -11.883 1.00 0.00 H new ATOM 1436 N SER A 88 -4.004 -10.160 -9.657 1.00 0.00 N ATOM 1437 CA SER A 88 -3.355 -11.032 -8.657 1.00 0.00 C ATOM 1438 C SER A 88 -2.849 -10.272 -7.430 1.00 0.00 C ATOM 1439 O SER A 88 -1.822 -9.590 -7.460 1.00 0.00 O ATOM 1440 CB SER A 88 -2.205 -11.870 -9.221 1.00 0.00 C ATOM 1441 OG SER A 88 -2.619 -12.548 -10.388 1.00 0.00 O ATOM 0 H SER A 88 -3.545 -10.171 -10.568 1.00 0.00 H new ATOM 0 HA SER A 88 -4.157 -11.705 -8.354 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.355 -11.227 -9.448 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.870 -12.589 -8.474 1.00 0.00 H new ATOM 0 HG SER A 88 -1.874 -13.079 -10.740 1.00 0.00 H new ATOM 1447 N SER A 89 -3.544 -10.441 -6.308 1.00 0.00 N ATOM 1448 CA SER A 89 -3.366 -9.631 -5.106 1.00 0.00 C ATOM 1449 C SER A 89 -2.288 -10.165 -4.156 1.00 0.00 C ATOM 1450 O SER A 89 -2.493 -10.234 -2.945 1.00 0.00 O ATOM 1451 CB SER A 89 -4.731 -9.391 -4.462 1.00 0.00 C ATOM 1452 OG SER A 89 -5.282 -10.596 -3.957 1.00 0.00 O ATOM 0 H SER A 89 -4.261 -11.159 -6.207 1.00 0.00 H new ATOM 0 HA SER A 89 -2.960 -8.660 -5.390 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.632 -8.667 -3.653 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.410 -8.958 -5.196 1.00 0.00 H new ATOM 0 HG SER A 89 -6.154 -10.411 -3.550 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.120 -10.529 -4.711 1.00 0.00 N ATOM 1459 CA ARG A 90 0.170 -10.493 -3.989 1.00 0.00 C ATOM 1460 C ARG A 90 0.792 -9.086 -4.027 1.00 0.00 C ATOM 1461 O ARG A 90 1.577 -8.733 -3.144 1.00 0.00 O ATOM 1462 CB ARG A 90 1.129 -11.567 -4.536 1.00 0.00 C ATOM 1463 CG ARG A 90 2.412 -11.645 -3.692 1.00 0.00 C ATOM 1464 CD ARG A 90 3.296 -12.841 -4.044 1.00 0.00 C ATOM 1465 NE ARG A 90 4.514 -12.810 -3.215 1.00 0.00 N ATOM 1466 CZ ARG A 90 5.531 -13.646 -3.229 1.00 0.00 C ATOM 1467 NH1 ARG A 90 6.536 -13.413 -2.440 1.00 0.00 N ATOM 1468 NH2 ARG A 90 5.572 -14.694 -4.001 1.00 0.00 N ATOM 0 H ARG A 90 -1.040 -10.857 -5.673 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.017 -10.726 -2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.631 -12.537 -4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.384 -11.338 -5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.984 -10.727 -3.827 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.142 -11.700 -2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.752 -13.771 -3.877 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.561 -12.813 -5.101 1.00 0.00 H new ATOM 0 HE ARG A 90 4.577 -12.043 -2.545 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.525 -12.597 -1.828 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.336 -14.046 -2.432 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.794 -14.895 -4.630 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.382 -15.314 -3.977 1.00 0.00 H new ATOM 1482 N TYR A 91 0.420 -8.289 -5.031 1.00 0.00 N ATOM 1483 CA TYR A 91 0.921 -6.931 -5.249 1.00 0.00 C ATOM 1484 C TYR A 91 -0.171 -5.873 -5.130 1.00 0.00 C ATOM 1485 O TYR A 91 -1.351 -6.151 -5.355 1.00 0.00 O ATOM 1486 CB TYR A 91 1.553 -6.806 -6.641 1.00 0.00 C ATOM 1487 CG TYR A 91 2.396 -7.976 -7.078 1.00 0.00 C ATOM 1488 CD1 TYR A 91 3.608 -8.243 -6.422 1.00 0.00 C ATOM 1489 CD2 TYR A 91 1.941 -8.804 -8.119 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.367 -9.367 -6.802 1.00 0.00 C ATOM 1491 CE2 TYR A 91 2.697 -9.919 -8.513 1.00 0.00 C ATOM 1492 CZ TYR A 91 3.910 -10.211 -7.841 1.00 0.00 C ATOM 1493 OH TYR A 91 4.640 -11.306 -8.180 1.00 0.00 O ATOM 0 H TYR A 91 -0.258 -8.580 -5.735 1.00 0.00 H new ATOM 0 HA TYR A 91 1.662 -6.756 -4.469 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.756 -6.662 -7.371 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.170 -5.908 -6.661 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.955 -7.592 -5.633 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.008 -8.582 -8.616 1.00 0.00 H new ATOM 0 HE1 TYR A 91 5.298 -9.584 -6.300 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.357 -10.549 -9.322 1.00 0.00 H new ATOM 0 HH TYR A 91 4.193 -11.784 -8.910 1.00 0.00 H new ATOM 1503 N PHE A 92 0.260 -4.639 -4.877 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.566 -3.431 -4.928 1.00 0.00 C ATOM 1505 C PHE A 92 0.238 -2.254 -5.480 1.00 0.00 C ATOM 1506 O PHE A 92 1.450 -2.345 -5.663 1.00 0.00 O ATOM 1507 CB PHE A 92 -1.108 -3.103 -3.528 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.959 -4.214 -2.962 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -3.279 -4.397 -3.416 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.400 -5.112 -2.038 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -4.033 -5.493 -2.964 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.163 -6.191 -1.570 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.472 -6.396 -2.046 1.00 0.00 C ATOM 0 H PHE A 92 1.228 -4.444 -4.622 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.408 -3.612 -5.596 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.273 -2.911 -2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.697 -2.187 -3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.712 -3.694 -4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.387 -4.972 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.041 -5.641 -3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.744 -6.869 -0.840 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.044 -7.246 -1.706 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.435 -1.129 -5.698 1.00 0.00 N ATOM 1524 CA VAL A 93 0.177 0.194 -5.837 1.00 0.00 C ATOM 1525 C VAL A 93 -0.506 1.144 -4.866 1.00 0.00 C ATOM 1526 O VAL A 93 -1.732 1.127 -4.775 1.00 0.00 O ATOM 1527 CB VAL A 93 0.073 0.722 -7.278 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.740 2.096 -7.397 1.00 0.00 C ATOM 1529 CG2 VAL A 93 0.737 -0.245 -8.265 1.00 0.00 C ATOM 0 H VAL A 93 -1.451 -1.109 -5.786 1.00 0.00 H new ATOM 0 HA VAL A 93 1.240 0.121 -5.606 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.986 0.809 -7.522 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.656 2.453 -8.423 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.246 2.799 -6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.793 2.014 -7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.650 0.151 -9.277 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.790 -0.359 -8.009 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.243 -1.215 -8.212 1.00 0.00 H new ATOM 1539 N ILE A 94 0.259 1.981 -4.160 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.280 3.060 -3.323 1.00 0.00 C ATOM 1541 C ILE A 94 0.322 4.420 -3.696 1.00 0.00 C ATOM 1542 O ILE A 94 1.468 4.513 -4.145 1.00 0.00 O ATOM 1543 CB ILE A 94 -0.183 2.755 -1.804 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.273 2.739 -1.308 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -0.854 1.415 -1.457 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.385 2.633 0.216 1.00 0.00 C ATOM 0 H ILE A 94 1.278 1.930 -4.152 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.347 3.118 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.711 3.562 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.797 1.900 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.775 3.648 -1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.768 1.232 -0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.907 1.453 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.363 0.610 -2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.436 2.626 0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.888 3.486 0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.911 1.711 0.552 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.456 5.486 -3.488 1.00 0.00 N ATOM 1559 CA ARG A 95 -0.044 6.885 -3.690 1.00 0.00 C ATOM 1560 C ARG A 95 0.355 7.479 -2.342 1.00 0.00 C ATOM 1561 O ARG A 95 -0.510 7.784 -1.526 1.00 0.00 O ATOM 1562 CB ARG A 95 -1.169 7.641 -4.426 1.00 0.00 C ATOM 1563 CG ARG A 95 -0.876 9.106 -4.772 1.00 0.00 C ATOM 1564 CD ARG A 95 -1.237 10.062 -3.630 1.00 0.00 C ATOM 1565 NE ARG A 95 -2.695 10.242 -3.452 1.00 0.00 N ATOM 1566 CZ ARG A 95 -3.428 9.883 -2.410 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -4.671 10.251 -2.315 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -2.971 9.148 -1.439 1.00 0.00 N ATOM 0 H ARG A 95 -1.420 5.401 -3.165 1.00 0.00 H new ATOM 0 HA ARG A 95 0.835 6.968 -4.329 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.395 7.108 -5.349 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.067 7.606 -3.810 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.182 9.215 -5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.436 9.384 -5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.809 9.685 -2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.779 11.033 -3.820 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.192 10.694 -4.220 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.091 10.822 -3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.226 9.968 -1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.005 8.820 -1.458 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.578 8.899 -0.658 1.00 0.00 H new ATOM 1582 N ILE A 96 1.650 7.637 -2.103 1.00 0.00 N ATOM 1583 CA ILE A 96 2.231 8.143 -0.852 1.00 0.00 C ATOM 1584 C ILE A 96 2.491 9.652 -0.889 1.00 0.00 C ATOM 1585 O ILE A 96 2.710 10.224 -1.952 1.00 0.00 O ATOM 1586 CB ILE A 96 3.533 7.387 -0.497 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.568 7.447 -1.642 1.00 0.00 C ATOM 1588 CG2 ILE A 96 3.217 5.934 -0.117 1.00 0.00 C ATOM 1589 CD1 ILE A 96 5.987 7.110 -1.195 1.00 0.00 C ATOM 0 H ILE A 96 2.359 7.409 -2.800 1.00 0.00 H new ATOM 0 HA ILE A 96 1.490 7.960 -0.074 1.00 0.00 H new ATOM 0 HB ILE A 96 3.982 7.885 0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.269 6.754 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.560 8.446 -2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.142 5.413 0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.551 5.920 0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.733 5.435 -0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.662 7.171 -2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.305 7.818 -0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.010 6.100 -0.787 1.00 0.00 H new ATOM 1601 N GLN A 97 2.563 10.274 0.286 1.00 0.00 N ATOM 1602 CA GLN A 97 3.354 11.484 0.526 1.00 0.00 C ATOM 1603 C GLN A 97 4.841 11.115 0.655 1.00 0.00 C ATOM 1604 O GLN A 97 5.193 10.129 1.306 1.00 0.00 O ATOM 1605 CB GLN A 97 2.874 12.155 1.825 1.00 0.00 C ATOM 1606 CG GLN A 97 1.590 12.979 1.653 1.00 0.00 C ATOM 1607 CD GLN A 97 1.884 14.425 1.259 1.00 0.00 C ATOM 1608 OE1 GLN A 97 2.069 15.300 2.092 1.00 0.00 O ATOM 1609 NE2 GLN A 97 1.970 14.737 -0.012 1.00 0.00 N ATOM 0 H GLN A 97 2.065 9.947 1.114 1.00 0.00 H new ATOM 0 HA GLN A 97 3.228 12.172 -0.310 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.705 11.387 2.580 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.664 12.804 2.202 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.962 12.517 0.891 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.024 12.965 2.584 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.819 14.022 -0.724 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.188 15.694 -0.289 1.00 0.00 H new ATOM 1682 N SER A 103 3.964 14.208 -3.408 1.00 0.00 N ATOM 1683 CA SER A 103 3.455 12.827 -3.493 1.00 0.00 C ATOM 1684 C SER A 103 4.096 11.997 -4.615 1.00 0.00 C ATOM 1685 O SER A 103 4.591 12.541 -5.604 1.00 0.00 O ATOM 1686 CB SER A 103 1.929 12.828 -3.639 1.00 0.00 C ATOM 1687 OG SER A 103 1.322 13.354 -2.469 1.00 0.00 O ATOM 0 HA SER A 103 3.738 12.344 -2.558 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.640 13.423 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.573 11.813 -3.816 1.00 0.00 H new ATOM 0 HG SER A 103 1.263 14.329 -2.542 1.00 0.00 H new ATOM 1693 N ALA A 104 4.077 10.671 -4.452 1.00 0.00 N ATOM 1694 CA ALA A 104 4.651 9.676 -5.368 1.00 0.00 C ATOM 1695 C ALA A 104 3.844 8.367 -5.385 1.00 0.00 C ATOM 1696 O ALA A 104 3.137 8.050 -4.432 1.00 0.00 O ATOM 1697 CB ALA A 104 6.110 9.424 -4.961 1.00 0.00 C ATOM 0 H ALA A 104 3.640 10.239 -3.638 1.00 0.00 H new ATOM 0 HA ALA A 104 4.611 10.068 -6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.553 8.687 -5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.672 10.356 -5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.143 9.050 -3.938 1.00 0.00 H new ATOM 1703 N PHE A 105 3.969 7.583 -6.457 1.00 0.00 N ATOM 1704 CA PHE A 105 3.395 6.235 -6.549 1.00 0.00 C ATOM 1705 C PHE A 105 4.454 5.160 -6.271 1.00 0.00 C ATOM 1706 O PHE A 105 5.533 5.174 -6.870 1.00 0.00 O ATOM 1707 CB PHE A 105 2.730 6.040 -7.918 1.00 0.00 C ATOM 1708 CG PHE A 105 1.718 7.119 -8.253 1.00 0.00 C ATOM 1709 CD1 PHE A 105 0.422 7.069 -7.707 1.00 0.00 C ATOM 1710 CD2 PHE A 105 2.092 8.210 -9.060 1.00 0.00 C ATOM 1711 CE1 PHE A 105 -0.501 8.086 -8.000 1.00 0.00 C ATOM 1712 CE2 PHE A 105 1.179 9.246 -9.318 1.00 0.00 C ATOM 1713 CZ PHE A 105 -0.126 9.179 -8.798 1.00 0.00 C ATOM 0 H PHE A 105 4.476 7.867 -7.295 1.00 0.00 H new ATOM 0 HA PHE A 105 2.628 6.128 -5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.500 6.022 -8.689 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.236 5.069 -7.939 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.138 6.250 -7.063 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.085 8.251 -9.483 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.506 8.027 -7.609 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.479 10.094 -9.916 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.836 9.964 -9.011 1.00 0.00 H new ATOM 1723 N ILE A 106 4.132 4.209 -5.392 1.00 0.00 N ATOM 1724 CA ILE A 106 4.941 3.003 -5.139 1.00 0.00 C ATOM 1725 C ILE A 106 4.147 1.712 -5.343 1.00 0.00 C ATOM 1726 O ILE A 106 3.036 1.558 -4.839 1.00 0.00 O ATOM 1727 CB ILE A 106 5.626 3.003 -3.752 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.655 3.236 -2.576 1.00 0.00 C ATOM 1729 CG2 ILE A 106 6.761 4.043 -3.734 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.267 2.906 -1.209 1.00 0.00 C ATOM 0 H ILE A 106 3.287 4.251 -4.823 1.00 0.00 H new ATOM 0 HA ILE A 106 5.732 3.036 -5.888 1.00 0.00 H new ATOM 0 HB ILE A 106 6.032 2.002 -3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 106 4.333 4.277 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.764 2.626 -2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.241 4.040 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.496 3.793 -4.500 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.351 5.033 -3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.531 3.092 -0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.563 1.857 -1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.142 3.534 -1.041 1.00 0.00 H new ATOM 1742 N GLY A 107 4.754 0.759 -6.049 1.00 0.00 N ATOM 1743 CA GLY A 107 4.291 -0.626 -6.124 1.00 0.00 C ATOM 1744 C GLY A 107 4.780 -1.420 -4.916 1.00 0.00 C ATOM 1745 O GLY A 107 5.897 -1.200 -4.446 1.00 0.00 O ATOM 0 H GLY A 107 5.598 0.931 -6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.202 -0.650 -6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.655 -1.088 -7.042 1.00 0.00 H new ATOM 1749 N ILE A 108 3.958 -2.336 -4.413 1.00 0.00 N ATOM 1750 CA ILE A 108 4.239 -3.172 -3.241 1.00 0.00 C ATOM 1751 C ILE A 108 4.169 -4.653 -3.635 1.00 0.00 C ATOM 1752 O ILE A 108 3.312 -5.028 -4.435 1.00 0.00 O ATOM 1753 CB ILE A 108 3.269 -2.867 -2.069 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.180 -1.342 -1.817 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.758 -3.611 -0.819 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.494 -0.940 -0.509 1.00 0.00 C ATOM 0 H ILE A 108 3.043 -2.527 -4.822 1.00 0.00 H new ATOM 0 HA ILE A 108 5.245 -2.940 -2.891 1.00 0.00 H new ATOM 0 HB ILE A 108 2.266 -3.211 -2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.189 -0.929 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.643 -0.883 -2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.085 -3.405 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.774 -4.683 -1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.763 -3.274 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.481 0.147 -0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.471 -1.317 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.041 -1.363 0.334 1.00 0.00 H new ATOM 1768 N GLY A 109 5.003 -5.501 -3.031 1.00 0.00 N ATOM 1769 CA GLY A 109 4.831 -6.956 -2.994 1.00 0.00 C ATOM 1770 C GLY A 109 5.091 -7.538 -1.605 1.00 0.00 C ATOM 1771 O GLY A 109 6.021 -7.136 -0.904 1.00 0.00 O ATOM 0 H GLY A 109 5.840 -5.187 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.817 -7.207 -3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.509 -7.418 -3.711 1.00 0.00 H new ATOM 1775 N PHE A 110 4.263 -8.499 -1.202 1.00 0.00 N ATOM 1776 CA PHE A 110 4.386 -9.187 0.087 1.00 0.00 C ATOM 1777 C PHE A 110 5.179 -10.495 0.001 1.00 0.00 C ATOM 1778 O PHE A 110 5.347 -11.095 -1.066 1.00 0.00 O ATOM 1779 CB PHE A 110 2.994 -9.411 0.684 1.00 0.00 C ATOM 1780 CG PHE A 110 2.364 -8.156 1.261 1.00 0.00 C ATOM 1781 CD1 PHE A 110 1.870 -7.131 0.426 1.00 0.00 C ATOM 1782 CD2 PHE A 110 2.287 -8.009 2.659 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.305 -5.974 0.990 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.697 -6.867 3.222 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.222 -5.841 2.386 1.00 0.00 C ATOM 0 H PHE A 110 3.478 -8.828 -1.765 1.00 0.00 H new ATOM 0 HA PHE A 110 4.964 -8.542 0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.338 -9.813 -0.088 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.062 -10.165 1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.926 -7.236 -0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.685 -8.780 3.302 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.935 -5.187 0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.608 -6.776 4.295 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.793 -4.949 2.818 1.00 0.00 H new ATOM 1795 N THR A 111 5.630 -10.970 1.163 1.00 0.00 N ATOM 1796 CA THR A 111 6.329 -12.255 1.319 1.00 0.00 C ATOM 1797 C THR A 111 5.394 -13.461 1.146 1.00 0.00 C ATOM 1798 O THR A 111 5.827 -14.547 0.757 1.00 0.00 O ATOM 1799 CB THR A 111 7.064 -12.263 2.665 1.00 0.00 C ATOM 1800 OG1 THR A 111 8.066 -13.256 2.674 1.00 0.00 O ATOM 1801 CG2 THR A 111 6.158 -12.478 3.876 1.00 0.00 C ATOM 0 H THR A 111 5.519 -10.465 2.042 1.00 0.00 H new ATOM 0 HA THR A 111 7.063 -12.356 0.519 1.00 0.00 H new ATOM 0 HB THR A 111 7.494 -11.266 2.758 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.527 -13.248 3.539 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.758 -12.470 4.786 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.417 -11.680 3.923 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.651 -13.438 3.785 1.00 0.00 H new ATOM 1809 N ASP A 112 4.090 -13.249 1.359 1.00 0.00 N ATOM 1810 CA ASP A 112 3.019 -14.232 1.163 1.00 0.00 C ATOM 1811 C ASP A 112 1.798 -13.622 0.446 1.00 0.00 C ATOM 1812 O ASP A 112 1.412 -12.484 0.730 1.00 0.00 O ATOM 1813 CB ASP A 112 2.610 -14.818 2.528 1.00 0.00 C ATOM 1814 CG ASP A 112 1.981 -16.212 2.381 1.00 0.00 C ATOM 1815 OD1 ASP A 112 2.646 -17.221 2.717 1.00 0.00 O ATOM 1816 OD2 ASP A 112 0.825 -16.301 1.911 1.00 0.00 O ATOM 0 H ASP A 112 3.738 -12.349 1.687 1.00 0.00 H new ATOM 0 HA ASP A 112 3.398 -15.026 0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.485 -14.880 3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.901 -14.148 3.014 1.00 0.00 H new ATOM 1821 N ARG A 113 1.133 -14.399 -0.424 1.00 0.00 N ATOM 1822 CA ARG A 113 -0.178 -14.051 -1.008 1.00 0.00 C ATOM 1823 C ARG A 113 -1.212 -13.747 0.079 1.00 0.00 C ATOM 1824 O ARG A 113 -1.963 -12.790 -0.064 1.00 0.00 O ATOM 1825 CB ARG A 113 -0.650 -15.206 -1.921 1.00 0.00 C ATOM 1826 CG ARG A 113 -2.108 -15.110 -2.426 1.00 0.00 C ATOM 1827 CD ARG A 113 -2.409 -13.897 -3.320 1.00 0.00 C ATOM 1828 NE ARG A 113 -1.769 -14.025 -4.646 1.00 0.00 N ATOM 1829 CZ ARG A 113 -2.218 -14.697 -5.693 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -1.505 -14.768 -6.778 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -3.363 -15.316 -5.698 1.00 0.00 N ATOM 0 H ARG A 113 1.492 -15.297 -0.747 1.00 0.00 H new ATOM 0 HA ARG A 113 -0.070 -13.144 -1.604 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.012 -15.254 -2.786 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.534 -16.144 -1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -2.345 -16.018 -2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -2.774 -15.080 -1.563 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -3.487 -13.795 -3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.057 -12.988 -2.832 1.00 0.00 H new ATOM 0 HE ARG A 113 -0.880 -13.540 -4.768 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -0.597 -14.305 -6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -1.853 -15.287 -7.584 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -3.957 -15.296 -4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.666 -15.821 -6.531 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.236 -14.515 1.168 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.164 -14.326 2.288 1.00 0.00 C ATOM 1847 C GLY A 114 -1.923 -13.032 3.075 1.00 0.00 C ATOM 1848 O GLY A 114 -2.876 -12.435 3.574 1.00 0.00 O ATOM 0 H GLY A 114 -0.600 -15.301 1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.185 -14.324 1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.079 -15.175 2.966 1.00 0.00 H new ATOM 1852 N ASP A 115 -0.678 -12.546 3.135 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.355 -11.274 3.794 1.00 0.00 C ATOM 1854 C ASP A 115 -0.830 -10.071 2.961 1.00 0.00 C ATOM 1855 O ASP A 115 -1.392 -9.120 3.506 1.00 0.00 O ATOM 1856 CB ASP A 115 1.142 -11.198 4.129 1.00 0.00 C ATOM 1857 CG ASP A 115 1.581 -12.203 5.209 1.00 0.00 C ATOM 1858 OD1 ASP A 115 2.774 -12.583 5.221 1.00 0.00 O ATOM 1859 OD2 ASP A 115 0.754 -12.572 6.079 1.00 0.00 O ATOM 0 H ASP A 115 0.130 -13.019 2.731 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.900 -11.232 4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.719 -11.377 3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.380 -10.189 4.465 1.00 0.00 H new ATOM 1864 N ALA A 116 -0.706 -10.153 1.634 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.260 -9.167 0.707 1.00 0.00 C ATOM 1866 C ALA A 116 -2.796 -9.228 0.601 1.00 0.00 C ATOM 1867 O ALA A 116 -3.470 -8.197 0.596 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.625 -9.414 -0.657 1.00 0.00 C ATOM 0 H ALA A 116 -0.212 -10.915 1.169 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.031 -8.170 1.082 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.016 -8.694 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.456 -9.300 -0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.861 -10.425 -0.990 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.383 -10.425 0.586 1.00 0.00 N ATOM 1875 CA PHE A 117 -4.836 -10.597 0.588 1.00 0.00 C ATOM 1876 C PHE A 117 -5.475 -9.940 1.828 1.00 0.00 C ATOM 1877 O PHE A 117 -6.565 -9.372 1.741 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.140 -12.098 0.498 1.00 0.00 C ATOM 1879 CG PHE A 117 -6.576 -12.432 0.157 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -6.941 -12.694 -1.178 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.548 -12.510 1.175 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -8.265 -13.024 -1.486 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.874 -12.855 0.861 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.233 -13.119 -0.471 1.00 0.00 C ATOM 0 H PHE A 117 -2.864 -11.303 0.572 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.276 -10.094 -0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.489 -12.542 -0.255 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.889 -12.564 1.451 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.200 -12.640 -1.962 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.273 -12.304 2.199 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -8.546 -13.207 -2.513 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.616 -12.917 1.643 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.249 -13.394 -0.714 1.00 0.00 H new ATOM 1894 N ASP A 118 -4.760 -9.921 2.959 1.00 0.00 N ATOM 1895 CA ASP A 118 -5.180 -9.282 4.206 1.00 0.00 C ATOM 1896 C ASP A 118 -4.919 -7.763 4.219 1.00 0.00 C ATOM 1897 O ASP A 118 -5.700 -7.025 4.823 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.478 -9.995 5.366 1.00 0.00 C ATOM 1899 CG ASP A 118 -5.075 -9.635 6.735 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -4.291 -9.335 7.663 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -6.315 -9.722 6.904 1.00 0.00 O ATOM 0 H ASP A 118 -3.844 -10.365 3.031 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.261 -9.380 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.545 -11.073 5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.419 -9.737 5.357 1.00 0.00 H new ATOM 1906 N PHE A 119 -3.906 -7.266 3.490 1.00 0.00 N ATOM 1907 CA PHE A 119 -3.757 -5.835 3.192 1.00 0.00 C ATOM 1908 C PHE A 119 -5.010 -5.309 2.466 1.00 0.00 C ATOM 1909 O PHE A 119 -5.567 -4.280 2.851 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.456 -5.592 2.392 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.285 -4.206 1.789 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -2.900 -3.872 0.567 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -1.475 -3.249 2.421 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -2.748 -2.588 0.012 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -1.363 -1.951 1.901 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.000 -1.617 0.697 1.00 0.00 C ATOM 0 H PHE A 119 -3.168 -7.847 3.091 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.670 -5.273 4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.609 -5.786 3.050 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.408 -6.324 1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.495 -4.610 0.050 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -0.933 -3.515 3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -3.205 -2.350 -0.937 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.785 -1.207 2.429 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.916 -0.617 0.298 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.519 -6.071 1.491 1.00 0.00 N ATOM 1927 CA ASN A 120 -6.790 -5.795 0.819 1.00 0.00 C ATOM 1928 C ASN A 120 -8.002 -5.925 1.759 1.00 0.00 C ATOM 1929 O ASN A 120 -8.793 -4.990 1.842 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.881 -6.680 -0.437 1.00 0.00 C ATOM 1931 CG ASN A 120 -8.293 -6.986 -0.898 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -8.939 -6.203 -1.577 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.822 -8.131 -0.536 1.00 0.00 N ATOM 0 H ASN A 120 -5.051 -6.908 1.143 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.817 -4.751 0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.347 -6.189 -1.250 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.366 -7.620 -0.240 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.772 -8.367 -0.822 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.283 -8.785 0.031 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.173 -7.034 2.489 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.390 -7.257 3.300 1.00 0.00 C ATOM 1942 C VAL A 121 -9.493 -6.291 4.487 1.00 0.00 C ATOM 1943 O VAL A 121 -10.600 -5.862 4.818 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.518 -8.732 3.741 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -10.623 -8.977 4.779 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -9.853 -9.627 2.539 1.00 0.00 C ATOM 0 H VAL A 121 -7.491 -7.791 2.539 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.240 -7.037 2.654 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.552 -8.972 4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.651 -10.035 5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.418 -8.389 5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -11.586 -8.680 4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -9.939 -10.662 2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -10.797 -9.307 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -9.061 -9.548 1.795 1.00 0.00 H new ATOM 1956 N SER A 122 -8.367 -5.858 5.066 1.00 0.00 N ATOM 1957 CA SER A 122 -8.336 -4.778 6.065 1.00 0.00 C ATOM 1958 C SER A 122 -8.963 -3.480 5.529 1.00 0.00 C ATOM 1959 O SER A 122 -9.659 -2.778 6.263 1.00 0.00 O ATOM 1960 CB SER A 122 -6.886 -4.523 6.498 1.00 0.00 C ATOM 1961 OG SER A 122 -6.818 -3.517 7.494 1.00 0.00 O ATOM 0 H SER A 122 -7.448 -6.247 4.856 1.00 0.00 H new ATOM 0 HA SER A 122 -8.930 -5.096 6.922 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.450 -5.446 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.293 -4.224 5.634 1.00 0.00 H new ATOM 0 HG SER A 122 -5.910 -3.150 7.526 1.00 0.00 H new ATOM 1967 N LEU A 123 -8.792 -3.198 4.231 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.391 -2.053 3.547 1.00 0.00 C ATOM 1969 C LEU A 123 -10.828 -2.339 3.082 1.00 0.00 C ATOM 1970 O LEU A 123 -11.685 -1.468 3.225 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.480 -1.617 2.389 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.090 -1.143 2.858 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -6.140 -1.089 1.670 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.147 0.238 3.517 1.00 0.00 C ATOM 0 H LEU A 123 -8.219 -3.776 3.616 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.473 -1.228 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.359 -2.450 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.965 -0.812 1.837 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.733 -1.857 3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.158 -0.754 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -6.053 -2.082 1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.527 -0.393 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.146 0.532 3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.532 0.966 2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.804 0.200 4.386 1.00 0.00 H new ATOM 1986 N GLN A 124 -11.146 -3.555 2.619 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.530 -3.923 2.281 1.00 0.00 C ATOM 1988 C GLN A 124 -13.460 -3.763 3.494 1.00 0.00 C ATOM 1989 O GLN A 124 -14.483 -3.093 3.389 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.646 -5.348 1.711 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.909 -5.524 0.372 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.349 -6.740 -0.445 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -13.295 -7.457 -0.143 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -11.678 -7.024 -1.540 1.00 0.00 N ATOM 0 H GLN A 124 -10.466 -4.300 2.470 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.844 -3.233 1.498 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -12.245 -6.057 2.436 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -13.699 -5.594 1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.057 -4.627 -0.229 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -10.840 -5.603 0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.885 -6.445 -1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -11.950 -7.823 -2.112 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.088 -4.280 4.668 1.00 0.00 N ATOM 2004 CA ASP A 125 -13.889 -4.146 5.899 1.00 0.00 C ATOM 2005 C ASP A 125 -13.787 -2.756 6.557 1.00 0.00 C ATOM 2006 O ASP A 125 -14.552 -2.443 7.469 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.465 -5.246 6.881 1.00 0.00 C ATOM 2008 CG ASP A 125 -14.421 -5.408 8.075 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -15.586 -5.814 7.857 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -13.992 -5.196 9.234 1.00 0.00 O ATOM 0 H ASP A 125 -12.223 -4.805 4.797 1.00 0.00 H new ATOM 0 HA ASP A 125 -14.938 -4.257 5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.401 -6.194 6.346 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.466 -5.023 7.254 1.00 0.00 H new ATOM 2015 N HIS A 126 -12.885 -1.894 6.077 1.00 0.00 N ATOM 2016 CA HIS A 126 -12.833 -0.476 6.451 1.00 0.00 C ATOM 2017 C HIS A 126 -13.790 0.360 5.592 1.00 0.00 C ATOM 2018 O HIS A 126 -14.422 1.283 6.102 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.393 0.048 6.378 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.286 1.524 6.668 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -10.912 2.498 5.742 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.621 2.136 7.840 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -11.047 3.676 6.368 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.478 3.488 7.623 1.00 0.00 N ATOM 0 H HIS A 126 -12.162 -2.164 5.410 1.00 0.00 H new ATOM 0 HA HIS A 126 -13.168 -0.381 7.484 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -10.776 -0.502 7.089 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -10.990 -0.151 5.385 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -10.599 2.345 4.783 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.935 1.656 8.755 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -10.838 4.638 5.924 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.968 -0.002 4.317 1.00 0.00 N ATOM 2033 CA PHE A 127 -14.876 0.694 3.403 1.00 0.00 C ATOM 2034 C PHE A 127 -16.282 0.079 3.275 1.00 0.00 C ATOM 2035 O PHE A 127 -17.187 0.766 2.797 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.172 0.969 2.070 1.00 0.00 C ATOM 2037 CG PHE A 127 -13.162 2.095 2.212 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -13.609 3.427 2.311 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -11.793 1.814 2.364 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -12.692 4.462 2.561 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -10.871 2.852 2.578 1.00 0.00 C ATOM 2042 CZ PHE A 127 -11.322 4.177 2.688 1.00 0.00 C ATOM 0 H PHE A 127 -13.483 -0.791 3.889 1.00 0.00 H new ATOM 0 HA PHE A 127 -15.107 1.657 3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -13.669 0.065 1.727 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -14.910 1.231 1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -14.659 3.653 2.195 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -11.447 0.792 2.316 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -13.041 5.480 2.656 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.817 2.631 2.658 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.618 4.975 2.870 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.521 -1.154 3.757 1.00 0.00 N ATOM 2053 CA LYS A 128 -17.829 -1.841 3.644 1.00 0.00 C ATOM 2054 C LYS A 128 -18.989 -1.164 4.388 1.00 0.00 C ATOM 2055 O LYS A 128 -20.150 -1.400 4.054 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.713 -3.344 3.960 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.463 -3.731 5.423 1.00 0.00 C ATOM 2058 CD LYS A 128 -18.738 -3.862 6.259 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.373 -4.379 7.648 1.00 0.00 C ATOM 2060 NZ LYS A 128 -19.569 -4.552 8.514 1.00 0.00 N ATOM 0 H LYS A 128 -15.812 -1.708 4.238 1.00 0.00 H new ATOM 0 HA LYS A 128 -18.107 -1.743 2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -18.632 -3.831 3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.903 -3.755 3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -16.924 -4.678 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -16.816 -2.983 5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -19.238 -2.896 6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -19.437 -4.545 5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -17.853 -5.333 7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -17.680 -3.684 8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -19.274 -4.904 9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -20.052 -3.638 8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -20.219 -5.235 8.076 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.681 -0.333 5.387 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.661 0.389 6.223 1.00 0.00 C ATOM 2076 C TRP A 129 -19.775 1.900 5.909 1.00 0.00 C ATOM 2077 O TRP A 129 -20.512 2.624 6.582 1.00 0.00 O ATOM 2078 CB TRP A 129 -19.377 0.074 7.700 1.00 0.00 C ATOM 2079 CG TRP A 129 -17.976 0.341 8.157 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -16.968 -0.561 8.192 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.391 1.613 8.578 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.815 0.058 8.617 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -16.003 1.407 8.837 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -17.885 2.929 8.716 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -15.145 2.458 9.195 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -17.023 3.999 9.038 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.656 3.765 9.273 1.00 0.00 C ATOM 0 H TRP A 129 -17.716 -0.134 5.649 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.658 0.025 5.976 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -20.060 0.659 8.316 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.606 -0.976 7.880 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -17.055 -1.604 7.927 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -14.926 -0.424 8.753 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -18.938 3.119 8.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -14.104 2.265 9.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.415 5.003 9.104 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -15.000 4.589 9.513 1.00 0.00 H new ATOM 2098 N VAL A 130 -19.085 2.370 4.866 1.00 0.00 N ATOM 2099 CA VAL A 130 -19.074 3.760 4.349 1.00 0.00 C ATOM 2100 C VAL A 130 -19.340 3.752 2.831 1.00 0.00 C ATOM 2101 O VAL A 130 -19.803 2.747 2.282 1.00 0.00 O ATOM 2102 CB VAL A 130 -17.760 4.512 4.735 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -18.081 5.596 5.769 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.643 3.640 5.301 1.00 0.00 C ATOM 0 H VAL A 130 -18.478 1.759 4.319 1.00 0.00 H new ATOM 0 HA VAL A 130 -19.879 4.322 4.823 1.00 0.00 H new ATOM 0 HB VAL A 130 -17.385 4.918 3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -17.166 6.122 6.040 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -18.794 6.303 5.345 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -18.511 5.135 6.658 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.779 4.262 5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -16.991 3.146 6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.360 2.888 4.565 1.00 0.00 H new