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 180:sc= 0 USER MOD Set 1.2: A 120 ASN : amide:sc= 0.752 K(o=1.5,f=-0.38) USER MOD Set 1.3: A 124 GLN : amide:sc= 0.781 K(o=1.5,f=-0.34) USER MOD Set 2.1: A 18 SER OG : rot -46:sc= 1.24 USER MOD Set 2.2: A 20 TYR OH : rot -77:sc= 0.204 USER MOD Set 3.1: A 12 CYS SG : rot 180:sc= 0.512 USER MOD Set 3.2: A 14 LYS NZ :NH3+ -172:sc= 2.03 (180deg=1.14) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot -46:sc= 0.11 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 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 149:sc= 1.18 USER MOD Single : A 51 SER OG : rot 32:sc= 0.135 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -158:sc= 1.27 (180deg=1.19) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= 0.136 (180deg=-0.285!) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.2) USER MOD Single : A 65 SER OG : rot -63:sc= 1.17 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 76 GLN : amide:sc= 0.325 K(o=0.32,f=-0.21) 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= 0.0487 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 97 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 103 SER OG : rot -30:sc= 0.437 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -160:sc= -0.0401 USER MOD Single : A 126 HIS : +bothHN:sc= 1.01 K(o=1,f=-4.7!) USER MOD Single : A 128 LYS NZ :NH3+ -156:sc= 1.28 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -5.691 8.239 14.834 1.00 0.00 N ATOM 172 CA GLU A 8 -5.854 7.136 13.879 1.00 0.00 C ATOM 173 C GLU A 8 -6.021 5.817 14.659 1.00 0.00 C ATOM 174 O GLU A 8 -5.275 5.524 15.597 1.00 0.00 O ATOM 175 CB GLU A 8 -4.666 7.060 12.897 1.00 0.00 C ATOM 176 CG GLU A 8 -3.320 6.727 13.559 1.00 0.00 C ATOM 177 CD GLU A 8 -2.130 7.048 12.655 1.00 0.00 C ATOM 178 OE1 GLU A 8 -2.072 6.518 11.527 1.00 0.00 O ATOM 179 OE2 GLU A 8 -1.172 7.730 13.091 1.00 0.00 O ATOM 0 HA GLU A 8 -6.746 7.313 13.278 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.882 6.305 12.141 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.576 8.015 12.378 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.227 7.287 14.489 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.299 5.669 13.821 1.00 0.00 H new ATOM 186 N SER A 9 -7.019 5.024 14.281 1.00 0.00 N ATOM 187 CA SER A 9 -7.322 3.715 14.870 1.00 0.00 C ATOM 188 C SER A 9 -6.647 2.580 14.096 1.00 0.00 C ATOM 189 O SER A 9 -6.780 2.519 12.877 1.00 0.00 O ATOM 190 CB SER A 9 -8.838 3.498 14.890 1.00 0.00 C ATOM 191 OG SER A 9 -9.442 4.342 15.859 1.00 0.00 O ATOM 0 H SER A 9 -7.663 5.279 13.532 1.00 0.00 H new ATOM 0 HA SER A 9 -6.932 3.705 15.888 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.255 3.706 13.905 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.060 2.455 15.116 1.00 0.00 H new ATOM 0 HG SER A 9 -10.411 4.196 15.862 1.00 0.00 H new ATOM 197 N VAL A 10 -5.927 1.664 14.754 1.00 0.00 N ATOM 198 CA VAL A 10 -5.208 0.573 14.057 1.00 0.00 C ATOM 199 C VAL A 10 -6.162 -0.451 13.420 1.00 0.00 C ATOM 200 O VAL A 10 -7.189 -0.802 14.006 1.00 0.00 O ATOM 201 CB VAL A 10 -4.133 -0.068 14.958 1.00 0.00 C ATOM 202 CG1 VAL A 10 -4.709 -0.870 16.131 1.00 0.00 C ATOM 203 CG2 VAL A 10 -3.177 -0.963 14.159 1.00 0.00 C ATOM 0 H VAL A 10 -5.822 1.650 15.769 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.674 1.023 13.220 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.583 0.777 15.374 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.894 -1.291 16.719 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.310 -0.214 16.760 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.334 -1.677 15.748 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.436 -1.395 14.831 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.742 -1.763 13.680 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.673 -0.368 13.397 1.00 0.00 H new ATOM 213 N LEU A 11 -5.817 -0.928 12.217 1.00 0.00 N ATOM 214 CA LEU A 11 -6.603 -1.886 11.426 1.00 0.00 C ATOM 215 C LEU A 11 -5.804 -3.149 11.059 1.00 0.00 C ATOM 216 O LEU A 11 -6.317 -4.259 11.209 1.00 0.00 O ATOM 217 CB LEU A 11 -7.110 -1.225 10.128 1.00 0.00 C ATOM 218 CG LEU A 11 -8.087 -0.047 10.267 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.482 0.411 8.862 1.00 0.00 C ATOM 220 CD2 LEU A 11 -9.360 -0.424 11.028 1.00 0.00 C ATOM 0 H LEU A 11 -4.954 -0.649 11.751 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.442 -2.186 12.053 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.243 -0.878 9.566 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.594 -1.994 9.526 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.586 0.740 10.831 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.177 1.248 8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.591 0.724 8.318 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.960 -0.413 8.332 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.014 0.445 11.097 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.876 -1.225 10.499 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.098 -0.761 12.031 1.00 0.00 H new ATOM 232 N CYS A 12 -4.560 -2.995 10.585 1.00 0.00 N ATOM 233 CA CYS A 12 -3.679 -4.105 10.202 1.00 0.00 C ATOM 234 C CYS A 12 -2.204 -3.817 10.504 1.00 0.00 C ATOM 235 O CYS A 12 -1.750 -2.674 10.501 1.00 0.00 O ATOM 236 CB CYS A 12 -3.923 -4.485 8.728 1.00 0.00 C ATOM 237 SG CYS A 12 -3.044 -5.999 8.245 1.00 0.00 S ATOM 0 H CYS A 12 -4.131 -2.079 10.455 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.931 -4.968 10.818 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.992 -4.621 8.564 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.604 -3.663 8.087 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.292 -6.265 6.997 1.00 0.00 H new ATOM 243 N VAL A 13 -1.452 -4.888 10.737 1.00 0.00 N ATOM 244 CA VAL A 13 0.008 -4.916 10.834 1.00 0.00 C ATOM 245 C VAL A 13 0.519 -6.163 10.112 1.00 0.00 C ATOM 246 O VAL A 13 -0.066 -7.241 10.255 1.00 0.00 O ATOM 247 CB VAL A 13 0.456 -4.834 12.309 1.00 0.00 C ATOM 248 CG1 VAL A 13 -0.084 -5.961 13.200 1.00 0.00 C ATOM 249 CG2 VAL A 13 1.982 -4.802 12.451 1.00 0.00 C ATOM 0 H VAL A 13 -1.865 -5.811 10.871 1.00 0.00 H new ATOM 0 HA VAL A 13 0.445 -4.045 10.346 1.00 0.00 H new ATOM 0 HB VAL A 13 0.023 -3.895 12.655 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.280 -5.826 14.219 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.174 -5.936 13.198 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.258 -6.923 12.818 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.248 -4.744 13.506 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.407 -5.708 12.019 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.378 -3.931 11.929 1.00 0.00 H new ATOM 259 N LYS A 14 1.587 -6.024 9.316 1.00 0.00 N ATOM 260 CA LYS A 14 2.312 -7.171 8.721 1.00 0.00 C ATOM 261 C LYS A 14 3.832 -7.158 8.986 1.00 0.00 C ATOM 262 O LYS A 14 4.443 -6.084 8.942 1.00 0.00 O ATOM 263 CB LYS A 14 1.967 -7.359 7.225 1.00 0.00 C ATOM 264 CG LYS A 14 0.515 -7.810 6.991 1.00 0.00 C ATOM 265 CD LYS A 14 0.274 -9.262 7.442 1.00 0.00 C ATOM 266 CE LYS A 14 -1.205 -9.635 7.356 1.00 0.00 C ATOM 267 NZ LYS A 14 -1.977 -9.068 8.492 1.00 0.00 N ATOM 0 H LYS A 14 1.978 -5.117 9.062 1.00 0.00 H new ATOM 0 HA LYS A 14 1.948 -8.054 9.247 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.139 -6.420 6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.644 -8.096 6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.161 -7.147 7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.274 -7.716 5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.858 -9.940 6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.624 -9.389 8.467 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.619 -9.271 6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.308 -10.720 7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.945 -9.449 8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.516 -9.325 9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.012 -8.032 8.405 1.00 0.00 H new ATOM 281 N PRO A 15 4.441 -8.337 9.259 1.00 0.00 N ATOM 282 CA PRO A 15 5.797 -8.466 9.812 1.00 0.00 C ATOM 283 C PRO A 15 6.932 -8.360 8.780 1.00 0.00 C ATOM 284 O PRO A 15 8.087 -8.169 9.169 1.00 0.00 O ATOM 285 CB PRO A 15 5.810 -9.841 10.492 1.00 0.00 C ATOM 286 CG PRO A 15 4.876 -10.667 9.609 1.00 0.00 C ATOM 287 CD PRO A 15 3.798 -9.652 9.252 1.00 0.00 C ATOM 0 HA PRO A 15 5.994 -7.636 10.490 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.813 -10.265 10.526 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.451 -9.787 11.520 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.384 -11.051 8.724 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.467 -11.527 10.140 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.371 -9.869 8.273 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.980 -9.687 9.971 1.00 0.00 H new ATOM 295 N ASP A 16 6.626 -8.468 7.486 1.00 0.00 N ATOM 296 CA ASP A 16 7.557 -8.229 6.380 1.00 0.00 C ATOM 297 C ASP A 16 6.808 -7.735 5.130 1.00 0.00 C ATOM 298 O ASP A 16 5.774 -8.296 4.757 1.00 0.00 O ATOM 299 CB ASP A 16 8.339 -9.510 6.059 1.00 0.00 C ATOM 300 CG ASP A 16 9.379 -9.255 4.960 1.00 0.00 C ATOM 301 OD1 ASP A 16 10.364 -8.534 5.238 1.00 0.00 O ATOM 302 OD2 ASP A 16 9.217 -9.768 3.830 1.00 0.00 O ATOM 0 H ASP A 16 5.694 -8.733 7.168 1.00 0.00 H new ATOM 0 HA ASP A 16 8.259 -7.453 6.686 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.836 -9.873 6.959 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.650 -10.291 5.739 1.00 0.00 H new ATOM 307 N VAL A 17 7.335 -6.697 4.478 1.00 0.00 N ATOM 308 CA VAL A 17 6.813 -6.144 3.220 1.00 0.00 C ATOM 309 C VAL A 17 7.948 -5.495 2.416 1.00 0.00 C ATOM 310 O VAL A 17 8.894 -4.946 2.995 1.00 0.00 O ATOM 311 CB VAL A 17 5.651 -5.160 3.497 1.00 0.00 C ATOM 312 CG1 VAL A 17 6.085 -3.864 4.187 1.00 0.00 C ATOM 313 CG2 VAL A 17 4.888 -4.804 2.221 1.00 0.00 C ATOM 0 H VAL A 17 8.160 -6.202 4.817 1.00 0.00 H new ATOM 0 HA VAL A 17 6.405 -6.953 2.614 1.00 0.00 H new ATOM 0 HB VAL A 17 4.999 -5.701 4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.215 -3.228 4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.543 -4.099 5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.806 -3.341 3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.081 -4.111 2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.568 -4.336 1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.470 -5.710 1.782 1.00 0.00 H new ATOM 323 N SER A 18 7.862 -5.553 1.086 1.00 0.00 N ATOM 324 CA SER A 18 8.807 -4.918 0.156 1.00 0.00 C ATOM 325 C SER A 18 8.131 -3.896 -0.770 1.00 0.00 C ATOM 326 O SER A 18 6.942 -4.001 -1.069 1.00 0.00 O ATOM 327 CB SER A 18 9.579 -5.990 -0.620 1.00 0.00 C ATOM 328 OG SER A 18 8.810 -6.589 -1.643 1.00 0.00 O ATOM 0 H SER A 18 7.114 -6.056 0.609 1.00 0.00 H new ATOM 0 HA SER A 18 9.522 -4.343 0.744 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.471 -5.543 -1.058 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.916 -6.761 0.073 1.00 0.00 H new ATOM 0 HG SER A 18 7.924 -6.821 -1.293 1.00 0.00 H new ATOM 334 N VAL A 19 8.876 -2.879 -1.206 1.00 0.00 N ATOM 335 CA VAL A 19 8.373 -1.721 -1.965 1.00 0.00 C ATOM 336 C VAL A 19 9.160 -1.509 -3.251 1.00 0.00 C ATOM 337 O VAL A 19 10.386 -1.622 -3.266 1.00 0.00 O ATOM 338 CB VAL A 19 8.392 -0.459 -1.088 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.312 0.846 -1.895 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.212 -0.525 -0.114 1.00 0.00 C ATOM 0 H VAL A 19 9.881 -2.832 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 19 7.342 -1.927 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 19 9.347 -0.442 -0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.330 1.697 -1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.163 0.907 -2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.387 0.862 -2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.211 0.364 0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.279 -0.573 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.305 -1.413 0.511 1.00 0.00 H new ATOM 350 N TYR A 20 8.450 -1.102 -4.302 1.00 0.00 N ATOM 351 CA TYR A 20 9.008 -0.686 -5.590 1.00 0.00 C ATOM 352 C TYR A 20 8.477 0.710 -5.977 1.00 0.00 C ATOM 353 O TYR A 20 7.309 0.851 -6.311 1.00 0.00 O ATOM 354 CB TYR A 20 8.655 -1.729 -6.675 1.00 0.00 C ATOM 355 CG TYR A 20 8.546 -3.172 -6.207 1.00 0.00 C ATOM 356 CD1 TYR A 20 9.699 -3.962 -6.058 1.00 0.00 C ATOM 357 CD2 TYR A 20 7.276 -3.728 -5.951 1.00 0.00 C ATOM 358 CE1 TYR A 20 9.594 -5.301 -5.629 1.00 0.00 C ATOM 359 CE2 TYR A 20 7.162 -5.072 -5.553 1.00 0.00 C ATOM 360 CZ TYR A 20 8.320 -5.858 -5.375 1.00 0.00 C ATOM 361 OH TYR A 20 8.194 -7.150 -4.969 1.00 0.00 O ATOM 0 H TYR A 20 7.432 -1.051 -4.280 1.00 0.00 H new ATOM 0 HA TYR A 20 10.093 -0.624 -5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.706 -1.443 -7.129 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.412 -1.679 -7.458 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.670 -3.541 -6.273 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.389 -3.121 -6.061 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.484 -5.899 -5.495 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.186 -5.503 -5.383 1.00 0.00 H new ATOM 0 HH TYR A 20 8.308 -7.747 -5.738 1.00 0.00 H new ATOM 371 N ARG A 21 9.296 1.765 -5.977 1.00 0.00 N ATOM 372 CA ARG A 21 8.965 3.032 -6.673 1.00 0.00 C ATOM 373 C ARG A 21 8.764 2.781 -8.180 1.00 0.00 C ATOM 374 O ARG A 21 9.604 2.128 -8.803 1.00 0.00 O ATOM 375 CB ARG A 21 10.049 4.101 -6.418 1.00 0.00 C ATOM 376 CG ARG A 21 9.978 4.695 -5.000 1.00 0.00 C ATOM 377 CD ARG A 21 11.027 5.792 -4.784 1.00 0.00 C ATOM 378 NE ARG A 21 10.795 6.525 -3.522 1.00 0.00 N ATOM 379 CZ ARG A 21 11.382 6.341 -2.355 1.00 0.00 C ATOM 380 NH1 ARG A 21 11.087 7.146 -1.379 1.00 0.00 N ATOM 381 NH2 ARG A 21 12.248 5.395 -2.122 1.00 0.00 N ATOM 0 H ARG A 21 10.199 1.776 -5.503 1.00 0.00 H new ATOM 0 HA ARG A 21 8.028 3.415 -6.268 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.033 3.658 -6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.941 4.903 -7.149 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.983 5.106 -4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.126 3.902 -4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.022 5.347 -4.769 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.002 6.490 -5.621 1.00 0.00 H new ATOM 0 HE ARG A 21 10.094 7.265 -3.558 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.415 7.899 -1.525 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.527 7.025 -0.467 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.506 4.745 -2.865 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.668 5.304 -1.197 1.00 0.00 H new ATOM 395 N ILE A 22 7.664 3.285 -8.759 1.00 0.00 N ATOM 396 CA ILE A 22 7.255 3.015 -10.159 1.00 0.00 C ATOM 397 C ILE A 22 7.098 4.302 -11.005 1.00 0.00 C ATOM 398 O ILE A 22 6.610 5.309 -10.483 1.00 0.00 O ATOM 399 CB ILE A 22 5.971 2.148 -10.233 1.00 0.00 C ATOM 400 CG1 ILE A 22 4.725 2.874 -9.677 1.00 0.00 C ATOM 401 CG2 ILE A 22 6.189 0.787 -9.565 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.464 2.013 -9.568 1.00 0.00 C ATOM 0 H ILE A 22 7.019 3.902 -8.266 1.00 0.00 H new ATOM 0 HA ILE A 22 8.074 2.445 -10.597 1.00 0.00 H new ATOM 0 HB ILE A 22 5.766 1.973 -11.289 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.964 3.267 -8.689 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.507 3.730 -10.316 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.274 0.199 -9.631 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.997 0.259 -10.071 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.452 0.934 -8.517 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.647 2.613 -9.168 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.191 1.641 -10.555 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.655 1.171 -8.903 1.00 0.00 H new ATOM 414 N PRO A 23 7.464 4.290 -12.307 1.00 0.00 N ATOM 415 CA PRO A 23 7.276 5.441 -13.196 1.00 0.00 C ATOM 416 C PRO A 23 5.846 5.716 -13.738 1.00 0.00 C ATOM 417 O PRO A 23 5.519 6.900 -13.871 1.00 0.00 O ATOM 418 CB PRO A 23 8.314 5.281 -14.311 1.00 0.00 C ATOM 419 CG PRO A 23 8.662 3.793 -14.335 1.00 0.00 C ATOM 420 CD PRO A 23 8.332 3.293 -12.929 1.00 0.00 C ATOM 0 HA PRO A 23 7.421 6.342 -12.601 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.912 5.605 -15.271 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.198 5.888 -14.114 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.081 3.263 -15.090 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.714 3.636 -14.574 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.835 2.324 -12.972 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.243 3.158 -12.345 1.00 0.00 H new ATOM 428 N PRO A 24 4.975 4.731 -14.067 1.00 0.00 N ATOM 429 CA PRO A 24 3.647 5.000 -14.635 1.00 0.00 C ATOM 430 C PRO A 24 2.602 5.421 -13.584 1.00 0.00 C ATOM 431 O PRO A 24 2.792 5.235 -12.379 1.00 0.00 O ATOM 432 CB PRO A 24 3.238 3.699 -15.337 1.00 0.00 C ATOM 433 CG PRO A 24 3.884 2.633 -14.459 1.00 0.00 C ATOM 434 CD PRO A 24 5.206 3.294 -14.076 1.00 0.00 C ATOM 0 HA PRO A 24 3.693 5.848 -15.318 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.155 3.586 -15.382 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.606 3.658 -16.362 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.276 2.401 -13.585 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.037 1.698 -14.998 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.540 2.951 -13.097 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.988 3.033 -14.789 1.00 0.00 H new ATOM 525 N GLY A 30 -4.701 -0.913 -15.614 1.00 0.00 N ATOM 526 CA GLY A 30 -4.279 -0.389 -14.313 1.00 0.00 C ATOM 527 C GLY A 30 -2.788 -0.056 -14.292 1.00 0.00 C ATOM 528 O GLY A 30 -2.356 0.894 -14.942 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.855 0.506 -14.078 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.499 -1.122 -13.537 1.00 0.00 H new ATOM 532 N TYR A 31 -2.000 -0.842 -13.557 1.00 0.00 N ATOM 533 CA TYR A 31 -0.554 -0.632 -13.369 1.00 0.00 C ATOM 534 C TYR A 31 0.334 -1.790 -13.807 1.00 0.00 C ATOM 535 O TYR A 31 1.475 -1.536 -14.184 1.00 0.00 O ATOM 536 CB TYR A 31 -0.276 -0.383 -11.889 1.00 0.00 C ATOM 537 CG TYR A 31 -0.564 1.024 -11.452 1.00 0.00 C ATOM 538 CD1 TYR A 31 0.464 1.979 -11.525 1.00 0.00 C ATOM 539 CD2 TYR A 31 -1.826 1.351 -10.928 1.00 0.00 C ATOM 540 CE1 TYR A 31 0.245 3.272 -11.018 1.00 0.00 C ATOM 541 CE2 TYR A 31 -2.059 2.655 -10.449 1.00 0.00 C ATOM 542 CZ TYR A 31 -1.016 3.614 -10.478 1.00 0.00 C ATOM 543 OH TYR A 31 -1.207 4.854 -9.953 1.00 0.00 O ATOM 0 H TYR A 31 -2.352 -1.662 -13.063 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.305 0.217 -14.006 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.878 -1.070 -11.294 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.769 -0.613 -11.680 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.415 1.722 -11.967 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.610 0.609 -10.893 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.039 4.003 -11.041 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.030 2.923 -10.061 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.448 5.086 -9.378 1.00 0.00 H new ATOM 553 N ARG A 32 -0.180 -3.025 -13.725 1.00 0.00 N ATOM 554 CA ARG A 32 0.481 -4.320 -13.933 1.00 0.00 C ATOM 555 C ARG A 32 1.902 -4.419 -13.355 1.00 0.00 C ATOM 556 O ARG A 32 2.851 -3.938 -13.962 1.00 0.00 O ATOM 557 CB ARG A 32 0.378 -4.807 -15.401 1.00 0.00 C ATOM 558 CG ARG A 32 -0.364 -3.974 -16.475 1.00 0.00 C ATOM 559 CD ARG A 32 0.398 -2.727 -16.952 1.00 0.00 C ATOM 560 NE ARG A 32 0.141 -2.405 -18.370 1.00 0.00 N ATOM 561 CZ ARG A 32 0.704 -2.942 -19.436 1.00 0.00 C ATOM 562 NH1 ARG A 32 0.441 -2.456 -20.613 1.00 0.00 N ATOM 563 NH2 ARG A 32 1.523 -3.954 -19.367 1.00 0.00 N ATOM 0 H ARG A 32 -1.164 -3.154 -13.489 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.091 -5.026 -13.331 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.397 -4.952 -15.760 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.095 -5.789 -15.378 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.567 -4.612 -17.335 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.329 -3.664 -16.074 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.114 -1.875 -16.334 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.467 -2.883 -16.808 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.555 -1.681 -18.547 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.196 -1.665 -20.707 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.872 -2.865 -21.442 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.752 -4.364 -18.461 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.934 -4.336 -20.219 1.00 0.00 H new ATOM 577 N ALA A 33 2.074 -5.140 -12.239 1.00 0.00 N ATOM 578 CA ALA A 33 3.393 -5.398 -11.630 1.00 0.00 C ATOM 579 C ALA A 33 4.426 -5.924 -12.644 1.00 0.00 C ATOM 580 O ALA A 33 5.598 -5.560 -12.607 1.00 0.00 O ATOM 581 CB ALA A 33 3.224 -6.408 -10.490 1.00 0.00 C ATOM 0 H ALA A 33 1.300 -5.564 -11.728 1.00 0.00 H new ATOM 0 HA ALA A 33 3.776 -4.449 -11.254 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.193 -6.606 -10.033 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.546 -6.001 -9.740 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.813 -7.337 -10.885 1.00 0.00 H new ATOM 587 N SER A 34 3.945 -6.730 -13.592 1.00 0.00 N ATOM 588 CA SER A 34 4.665 -7.287 -14.738 1.00 0.00 C ATOM 589 C SER A 34 5.325 -6.246 -15.666 1.00 0.00 C ATOM 590 O SER A 34 6.228 -6.599 -16.427 1.00 0.00 O ATOM 591 CB SER A 34 3.637 -8.096 -15.540 1.00 0.00 C ATOM 592 OG SER A 34 3.051 -9.114 -14.744 1.00 0.00 O ATOM 0 H SER A 34 2.971 -7.032 -13.578 1.00 0.00 H new ATOM 0 HA SER A 34 5.493 -7.883 -14.353 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.859 -7.431 -15.915 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.120 -8.543 -16.409 1.00 0.00 H new ATOM 0 HG SER A 34 2.399 -9.613 -15.279 1.00 0.00 H new ATOM 598 N ASP A 35 4.909 -4.973 -15.623 1.00 0.00 N ATOM 599 CA ASP A 35 5.480 -3.870 -16.416 1.00 0.00 C ATOM 600 C ASP A 35 6.684 -3.172 -15.748 1.00 0.00 C ATOM 601 O ASP A 35 7.447 -2.479 -16.425 1.00 0.00 O ATOM 602 CB ASP A 35 4.364 -2.857 -16.711 1.00 0.00 C ATOM 603 CG ASP A 35 4.781 -1.808 -17.757 1.00 0.00 C ATOM 604 OD1 ASP A 35 4.850 -0.602 -17.420 1.00 0.00 O ATOM 605 OD2 ASP A 35 5.000 -2.186 -18.934 1.00 0.00 O ATOM 0 H ASP A 35 4.144 -4.671 -15.019 1.00 0.00 H new ATOM 0 HA ASP A 35 5.875 -4.299 -17.337 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.481 -3.388 -17.066 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.083 -2.352 -15.787 1.00 0.00 H new ATOM 610 N TRP A 36 6.879 -3.360 -14.437 1.00 0.00 N ATOM 611 CA TRP A 36 7.962 -2.760 -13.643 1.00 0.00 C ATOM 612 C TRP A 36 8.717 -3.838 -12.835 1.00 0.00 C ATOM 613 O TRP A 36 8.551 -5.042 -13.059 1.00 0.00 O ATOM 614 CB TRP A 36 7.423 -1.577 -12.804 1.00 0.00 C ATOM 615 CG TRP A 36 5.984 -1.586 -12.396 1.00 0.00 C ATOM 616 CD1 TRP A 36 4.989 -1.007 -13.100 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.356 -2.128 -11.193 1.00 0.00 C ATOM 618 NE1 TRP A 36 3.791 -1.177 -12.445 1.00 0.00 N ATOM 619 CE2 TRP A 36 3.967 -1.798 -11.229 1.00 0.00 C ATOM 620 CE3 TRP A 36 5.819 -2.823 -10.054 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.095 -2.111 -10.178 1.00 0.00 C ATOM 622 CZ3 TRP A 36 4.945 -3.165 -9.003 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.588 -2.797 -9.054 1.00 0.00 C ATOM 0 H TRP A 36 6.266 -3.955 -13.879 1.00 0.00 H new ATOM 0 HA TRP A 36 8.713 -2.330 -14.306 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.024 -1.514 -11.897 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.601 -0.662 -13.369 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.114 -0.487 -14.038 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.887 -0.881 -12.814 1.00 0.00 H new ATOM 0 HE3 TRP A 36 6.861 -3.097 -9.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.054 -1.828 -10.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.320 -3.714 -8.152 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.928 -3.040 -8.234 1.00 0.00 H new ATOM 634 N LYS A 37 9.594 -3.425 -11.912 1.00 0.00 N ATOM 635 CA LYS A 37 10.272 -4.321 -10.962 1.00 0.00 C ATOM 636 C LYS A 37 9.255 -4.957 -10.003 1.00 0.00 C ATOM 637 O LYS A 37 8.866 -4.324 -9.029 1.00 0.00 O ATOM 638 CB LYS A 37 11.340 -3.522 -10.186 1.00 0.00 C ATOM 639 CG LYS A 37 12.610 -3.311 -11.020 1.00 0.00 C ATOM 640 CD LYS A 37 13.608 -2.405 -10.284 1.00 0.00 C ATOM 641 CE LYS A 37 15.001 -2.546 -10.907 1.00 0.00 C ATOM 642 NZ LYS A 37 15.975 -1.605 -10.294 1.00 0.00 N ATOM 0 H LYS A 37 9.858 -2.446 -11.801 1.00 0.00 H new ATOM 0 HA LYS A 37 10.760 -5.128 -11.508 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.931 -2.554 -9.896 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.592 -4.050 -9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.075 -4.274 -11.231 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.349 -2.866 -11.980 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.279 -1.367 -10.339 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.644 -2.672 -9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.354 -3.569 -10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.941 -2.360 -11.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.906 -1.729 -10.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.650 -0.627 -10.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.051 -1.799 -9.275 1.00 0.00 H new ATOM 656 N LEU A 38 8.869 -6.214 -10.246 1.00 0.00 N ATOM 657 CA LEU A 38 8.148 -7.056 -9.270 1.00 0.00 C ATOM 658 C LEU A 38 9.076 -7.975 -8.441 1.00 0.00 C ATOM 659 O LEU A 38 8.606 -8.754 -7.614 1.00 0.00 O ATOM 660 CB LEU A 38 6.965 -7.785 -9.941 1.00 0.00 C ATOM 661 CG LEU A 38 7.269 -8.800 -11.060 1.00 0.00 C ATOM 662 CD1 LEU A 38 7.982 -10.075 -10.610 1.00 0.00 C ATOM 663 CD2 LEU A 38 5.958 -9.263 -11.702 1.00 0.00 C ATOM 0 H LEU A 38 9.047 -6.685 -11.133 1.00 0.00 H new ATOM 0 HA LEU A 38 7.718 -6.392 -8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.411 -8.307 -9.161 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.298 -7.027 -10.352 1.00 0.00 H new ATOM 0 HG LEU A 38 7.931 -8.261 -11.738 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.149 -10.722 -11.471 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.940 -9.816 -10.159 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.366 -10.597 -9.878 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.174 -9.981 -12.493 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.329 -9.734 -10.946 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.436 -8.404 -12.124 1.00 0.00 H new ATOM 675 N ASP A 39 10.393 -7.902 -8.678 1.00 0.00 N ATOM 676 CA ASP A 39 11.411 -8.801 -8.106 1.00 0.00 C ATOM 677 C ASP A 39 12.528 -8.066 -7.329 1.00 0.00 C ATOM 678 O ASP A 39 13.215 -8.674 -6.506 1.00 0.00 O ATOM 679 CB ASP A 39 12.008 -9.621 -9.263 1.00 0.00 C ATOM 680 CG ASP A 39 13.059 -10.647 -8.802 1.00 0.00 C ATOM 681 OD1 ASP A 39 12.693 -11.616 -8.095 1.00 0.00 O ATOM 682 OD2 ASP A 39 14.247 -10.507 -9.182 1.00 0.00 O ATOM 0 H ASP A 39 10.794 -7.194 -9.293 1.00 0.00 H new ATOM 0 HA ASP A 39 10.926 -9.440 -7.368 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.204 -10.143 -9.782 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.464 -8.942 -9.983 1.00 0.00 H new ATOM 687 N GLN A 40 12.719 -6.764 -7.580 1.00 0.00 N ATOM 688 CA GLN A 40 13.874 -5.976 -7.121 1.00 0.00 C ATOM 689 C GLN A 40 13.422 -4.753 -6.291 1.00 0.00 C ATOM 690 O GLN A 40 13.151 -3.697 -6.870 1.00 0.00 O ATOM 691 CB GLN A 40 14.723 -5.569 -8.339 1.00 0.00 C ATOM 692 CG GLN A 40 15.427 -6.765 -9.001 1.00 0.00 C ATOM 693 CD GLN A 40 16.287 -6.321 -10.182 1.00 0.00 C ATOM 694 OE1 GLN A 40 17.460 -5.994 -10.047 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.741 -6.257 -11.379 1.00 0.00 N ATOM 0 H GLN A 40 12.055 -6.212 -8.124 1.00 0.00 H new ATOM 0 HA GLN A 40 14.489 -6.585 -6.459 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.085 -5.077 -9.073 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.471 -4.840 -8.027 1.00 0.00 H new ATOM 0 HG2 GLN A 40 16.050 -7.275 -8.266 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.682 -7.485 -9.341 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.766 -6.525 -11.510 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.294 -5.939 -12.175 1.00 0.00 H new ATOM 704 N PRO A 41 13.301 -4.869 -4.953 1.00 0.00 N ATOM 705 CA PRO A 41 12.779 -3.799 -4.101 1.00 0.00 C ATOM 706 C PRO A 41 13.741 -2.616 -3.933 1.00 0.00 C ATOM 707 O PRO A 41 14.965 -2.758 -3.927 1.00 0.00 O ATOM 708 CB PRO A 41 12.430 -4.468 -2.769 1.00 0.00 C ATOM 709 CG PRO A 41 13.411 -5.635 -2.694 1.00 0.00 C ATOM 710 CD PRO A 41 13.544 -6.066 -4.156 1.00 0.00 C ATOM 0 HA PRO A 41 11.904 -3.340 -4.561 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.555 -3.783 -1.930 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.395 -4.810 -2.750 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.370 -5.330 -2.274 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.031 -6.442 -2.068 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.536 -6.472 -4.354 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.825 -6.849 -4.399 1.00 0.00 H new ATOM 718 N ASP A 42 13.151 -1.435 -3.751 1.00 0.00 N ATOM 719 CA ASP A 42 13.816 -0.164 -3.449 1.00 0.00 C ATOM 720 C ASP A 42 13.825 0.137 -1.935 1.00 0.00 C ATOM 721 O ASP A 42 14.705 0.845 -1.442 1.00 0.00 O ATOM 722 CB ASP A 42 13.098 0.935 -4.248 1.00 0.00 C ATOM 723 CG ASP A 42 13.770 2.310 -4.117 1.00 0.00 C ATOM 724 OD1 ASP A 42 14.951 2.451 -4.513 1.00 0.00 O ATOM 725 OD2 ASP A 42 13.094 3.262 -3.661 1.00 0.00 O ATOM 0 H ASP A 42 12.138 -1.332 -3.814 1.00 0.00 H new ATOM 0 HA ASP A 42 14.865 -0.213 -3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.068 0.651 -5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.065 1.008 -3.908 1.00 0.00 H new ATOM 730 N TRP A 43 12.878 -0.449 -1.189 1.00 0.00 N ATOM 731 CA TRP A 43 12.820 -0.443 0.277 1.00 0.00 C ATOM 732 C TRP A 43 12.165 -1.726 0.812 1.00 0.00 C ATOM 733 O TRP A 43 11.320 -2.327 0.144 1.00 0.00 O ATOM 734 CB TRP A 43 12.059 0.803 0.755 1.00 0.00 C ATOM 735 CG TRP A 43 11.836 0.896 2.235 1.00 0.00 C ATOM 736 CD1 TRP A 43 12.657 1.503 3.121 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.720 0.368 3.023 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.126 1.400 4.393 1.00 0.00 N ATOM 739 CE2 TRP A 43 10.921 0.729 4.388 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.559 -0.378 2.724 1.00 0.00 C ATOM 741 CZ2 TRP A 43 9.994 0.410 5.391 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.631 -0.721 3.725 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.840 -0.317 5.054 1.00 0.00 C ATOM 0 H TRP A 43 12.101 -0.960 -1.608 1.00 0.00 H new ATOM 0 HA TRP A 43 13.837 -0.411 0.669 1.00 0.00 H new ATOM 0 HB2 TRP A 43 12.607 1.688 0.432 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.090 0.828 0.257 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.586 1.994 2.873 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.570 1.774 5.232 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.379 -0.692 1.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.165 0.720 6.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.754 -1.298 3.470 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.115 -0.565 5.815 1.00 0.00 H new ATOM 754 N THR A 44 12.529 -2.137 2.029 1.00 0.00 N ATOM 755 CA THR A 44 11.925 -3.255 2.768 1.00 0.00 C ATOM 756 C THR A 44 11.784 -2.937 4.257 1.00 0.00 C ATOM 757 O THR A 44 12.580 -2.189 4.835 1.00 0.00 O ATOM 758 CB THR A 44 12.734 -4.552 2.597 1.00 0.00 C ATOM 759 OG1 THR A 44 14.077 -4.384 3.005 1.00 0.00 O ATOM 760 CG2 THR A 44 12.755 -5.064 1.159 1.00 0.00 C ATOM 0 H THR A 44 13.281 -1.685 2.549 1.00 0.00 H new ATOM 0 HA THR A 44 10.931 -3.402 2.345 1.00 0.00 H new ATOM 0 HB THR A 44 12.225 -5.281 3.228 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.563 -5.226 2.885 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.342 -5.981 1.108 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.736 -5.267 0.830 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.202 -4.310 0.511 1.00 0.00 H new ATOM 768 N GLY A 45 10.758 -3.511 4.889 1.00 0.00 N ATOM 769 CA GLY A 45 10.417 -3.242 6.283 1.00 0.00 C ATOM 770 C GLY A 45 9.093 -3.886 6.694 1.00 0.00 C ATOM 771 O GLY A 45 8.882 -5.077 6.466 1.00 0.00 O ATOM 0 H GLY A 45 10.135 -4.183 4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.214 -3.613 6.927 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.358 -2.165 6.438 1.00 0.00 H new ATOM 775 N ARG A 46 8.221 -3.094 7.322 1.00 0.00 N ATOM 776 CA ARG A 46 6.942 -3.506 7.931 1.00 0.00 C ATOM 777 C ARG A 46 5.778 -2.580 7.565 1.00 0.00 C ATOM 778 O ARG A 46 5.972 -1.425 7.191 1.00 0.00 O ATOM 779 CB ARG A 46 7.113 -3.617 9.460 1.00 0.00 C ATOM 780 CG ARG A 46 7.849 -4.915 9.805 1.00 0.00 C ATOM 781 CD ARG A 46 7.902 -5.197 11.306 1.00 0.00 C ATOM 782 NE ARG A 46 8.439 -6.551 11.544 1.00 0.00 N ATOM 783 CZ ARG A 46 8.833 -7.072 12.690 1.00 0.00 C ATOM 784 NH1 ARG A 46 9.280 -8.293 12.725 1.00 0.00 N ATOM 785 NH2 ARG A 46 8.791 -6.407 13.809 1.00 0.00 N ATOM 0 H ARG A 46 8.392 -2.094 7.428 1.00 0.00 H new ATOM 0 HA ARG A 46 6.680 -4.482 7.523 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.672 -2.760 9.836 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.138 -3.600 9.947 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.358 -5.748 9.303 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.866 -4.863 9.416 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.528 -4.456 11.802 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.904 -5.111 11.736 1.00 0.00 H new ATOM 0 HE ARG A 46 8.514 -7.155 10.726 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.325 -8.844 11.868 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.586 -8.699 13.609 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.444 -5.448 13.820 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.105 -6.845 14.675 1.00 0.00 H new ATOM 799 N LEU A 47 4.559 -3.105 7.688 1.00 0.00 N ATOM 800 CA LEU A 47 3.297 -2.432 7.354 1.00 0.00 C ATOM 801 C LEU A 47 2.525 -2.040 8.619 1.00 0.00 C ATOM 802 O LEU A 47 2.380 -2.864 9.525 1.00 0.00 O ATOM 803 CB LEU A 47 2.462 -3.412 6.510 1.00 0.00 C ATOM 804 CG LEU A 47 1.069 -2.912 6.074 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.144 -2.057 4.813 1.00 0.00 C ATOM 806 CD2 LEU A 47 0.158 -4.116 5.840 1.00 0.00 C ATOM 0 H LEU A 47 4.414 -4.052 8.038 1.00 0.00 H new ATOM 0 HA LEU A 47 3.501 -1.514 6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.031 -3.666 5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.334 -4.333 7.079 1.00 0.00 H new ATOM 0 HG LEU A 47 0.664 -2.284 6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.143 -1.725 4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.776 -1.189 4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.566 -2.646 3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.829 -3.771 5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.582 -4.747 5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.070 -4.690 6.762 1.00 0.00 H new ATOM 818 N ARG A 48 1.916 -0.848 8.622 1.00 0.00 N ATOM 819 CA ARG A 48 0.799 -0.483 9.509 1.00 0.00 C ATOM 820 C ARG A 48 -0.336 0.122 8.688 1.00 0.00 C ATOM 821 O ARG A 48 -0.143 1.110 7.988 1.00 0.00 O ATOM 822 CB ARG A 48 1.245 0.520 10.589 1.00 0.00 C ATOM 823 CG ARG A 48 2.365 0.021 11.506 1.00 0.00 C ATOM 824 CD ARG A 48 1.955 -1.113 12.454 1.00 0.00 C ATOM 825 NE ARG A 48 1.383 -0.611 13.718 1.00 0.00 N ATOM 826 CZ ARG A 48 2.053 -0.123 14.752 1.00 0.00 C ATOM 827 NH1 ARG A 48 1.424 0.160 15.857 1.00 0.00 N ATOM 828 NH2 ARG A 48 3.337 0.101 14.732 1.00 0.00 N ATOM 0 H ARG A 48 2.190 -0.092 7.995 1.00 0.00 H new ATOM 0 HA ARG A 48 0.454 -1.389 10.007 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.576 1.436 10.100 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.382 0.780 11.202 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.196 -0.321 10.890 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.731 0.859 12.099 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.225 -1.752 11.957 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.825 -1.732 12.673 1.00 0.00 H new ATOM 0 HE ARG A 48 0.367 -0.643 13.805 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.418 0.006 15.925 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.937 0.536 16.654 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.877 -0.101 13.890 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.802 0.478 15.558 1.00 0.00 H new ATOM 842 N ILE A 49 -1.532 -0.435 8.808 1.00 0.00 N ATOM 843 CA ILE A 49 -2.764 0.164 8.291 1.00 0.00 C ATOM 844 C ILE A 49 -3.560 0.683 9.480 1.00 0.00 C ATOM 845 O ILE A 49 -3.815 -0.050 10.438 1.00 0.00 O ATOM 846 CB ILE A 49 -3.562 -0.822 7.419 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.661 -1.368 6.290 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.823 -0.166 6.840 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.390 -2.211 5.244 1.00 0.00 C ATOM 0 H ILE A 49 -1.681 -1.330 9.274 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.530 0.995 7.625 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.887 -1.651 8.048 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.180 -0.528 5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.869 -1.970 6.735 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.362 -0.890 6.230 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.464 0.171 7.654 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.539 0.687 6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.679 -2.551 4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.848 -3.074 5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.164 -1.610 4.767 1.00 0.00 H new ATOM 861 N THR A 50 -3.943 1.949 9.416 1.00 0.00 N ATOM 862 CA THR A 50 -4.707 2.667 10.445 1.00 0.00 C ATOM 863 C THR A 50 -5.872 3.422 9.797 1.00 0.00 C ATOM 864 O THR A 50 -5.968 3.475 8.570 1.00 0.00 O ATOM 865 CB THR A 50 -3.797 3.645 11.208 1.00 0.00 C ATOM 866 OG1 THR A 50 -3.265 4.566 10.292 1.00 0.00 O ATOM 867 CG2 THR A 50 -2.614 2.979 11.915 1.00 0.00 C ATOM 0 H THR A 50 -3.724 2.537 8.612 1.00 0.00 H new ATOM 0 HA THR A 50 -5.105 1.942 11.156 1.00 0.00 H new ATOM 0 HB THR A 50 -4.421 4.107 11.973 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.128 5.428 10.737 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.023 3.737 12.429 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.985 2.255 12.641 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.991 2.470 11.180 1.00 0.00 H new ATOM 875 N SER A 51 -6.779 4.005 10.584 1.00 0.00 N ATOM 876 CA SER A 51 -7.875 4.839 10.086 1.00 0.00 C ATOM 877 C SER A 51 -8.354 5.893 11.083 1.00 0.00 C ATOM 878 O SER A 51 -8.788 5.599 12.194 1.00 0.00 O ATOM 879 CB SER A 51 -9.061 3.984 9.624 1.00 0.00 C ATOM 880 OG SER A 51 -9.595 3.194 10.671 1.00 0.00 O ATOM 0 H SER A 51 -6.773 3.910 11.600 1.00 0.00 H new ATOM 0 HA SER A 51 -7.458 5.377 9.235 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.842 4.633 9.228 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.742 3.335 8.809 1.00 0.00 H new ATOM 0 HG SER A 51 -9.494 3.668 11.523 1.00 0.00 H new ATOM 886 N LYS A 52 -8.317 7.156 10.667 1.00 0.00 N ATOM 887 CA LYS A 52 -8.970 8.278 11.346 1.00 0.00 C ATOM 888 C LYS A 52 -10.393 8.454 10.796 1.00 0.00 C ATOM 889 O LYS A 52 -10.693 9.362 10.019 1.00 0.00 O ATOM 890 CB LYS A 52 -8.064 9.501 11.227 1.00 0.00 C ATOM 891 CG LYS A 52 -8.554 10.665 12.092 1.00 0.00 C ATOM 892 CD LYS A 52 -8.020 11.996 11.565 1.00 0.00 C ATOM 893 CE LYS A 52 -6.497 12.087 11.494 1.00 0.00 C ATOM 894 NZ LYS A 52 -6.064 13.365 10.882 1.00 0.00 N ATOM 0 H LYS A 52 -7.818 7.438 9.823 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.104 8.100 12.413 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.050 9.231 11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.018 9.818 10.185 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.644 10.683 12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.229 10.520 13.122 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.428 12.167 10.569 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.389 12.799 12.203 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.078 12.001 12.496 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.107 11.252 10.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.025 13.399 10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.445 13.435 9.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.417 14.160 11.452 1.00 0.00 H new ATOM 908 N GLY A 53 -11.250 7.507 11.164 1.00 0.00 N ATOM 909 CA GLY A 53 -12.657 7.425 10.753 1.00 0.00 C ATOM 910 C GLY A 53 -12.823 6.899 9.325 1.00 0.00 C ATOM 911 O GLY A 53 -12.279 5.848 8.982 1.00 0.00 O ATOM 0 H GLY A 53 -10.977 6.742 11.782 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.195 6.773 11.441 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.112 8.413 10.828 1.00 0.00 H new ATOM 915 N LYS A 54 -13.540 7.644 8.472 1.00 0.00 N ATOM 916 CA LYS A 54 -13.850 7.339 7.052 1.00 0.00 C ATOM 917 C LYS A 54 -12.661 7.507 6.086 1.00 0.00 C ATOM 918 O LYS A 54 -12.822 7.693 4.881 1.00 0.00 O ATOM 919 CB LYS A 54 -15.122 8.139 6.693 1.00 0.00 C ATOM 920 CG LYS A 54 -15.798 7.834 5.343 1.00 0.00 C ATOM 921 CD LYS A 54 -15.785 9.056 4.409 1.00 0.00 C ATOM 922 CE LYS A 54 -16.690 8.829 3.195 1.00 0.00 C ATOM 923 NZ LYS A 54 -16.692 10.017 2.304 1.00 0.00 N ATOM 0 H LYS A 54 -13.948 8.532 8.765 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.051 6.275 6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.856 7.974 7.481 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.868 9.199 6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.286 7.002 4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.827 7.519 5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.118 9.939 4.955 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.766 9.252 4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.349 7.955 2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.706 8.618 3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -17.552 10.011 1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.671 10.883 2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.854 9.991 1.688 1.00 0.00 H new ATOM 937 N THR A 55 -11.454 7.382 6.626 1.00 0.00 N ATOM 938 CA THR A 55 -10.178 7.540 5.933 1.00 0.00 C ATOM 939 C THR A 55 -9.178 6.568 6.545 1.00 0.00 C ATOM 940 O THR A 55 -8.890 6.666 7.739 1.00 0.00 O ATOM 941 CB THR A 55 -9.650 8.973 6.116 1.00 0.00 C ATOM 942 OG1 THR A 55 -10.657 9.946 5.902 1.00 0.00 O ATOM 943 CG2 THR A 55 -8.556 9.259 5.097 1.00 0.00 C ATOM 0 H THR A 55 -11.331 7.155 7.613 1.00 0.00 H new ATOM 0 HA THR A 55 -10.313 7.342 4.870 1.00 0.00 H new ATOM 0 HB THR A 55 -9.284 9.035 7.141 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.279 10.841 6.030 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.188 10.276 5.234 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.736 8.555 5.236 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.960 9.152 4.090 1.00 0.00 H new ATOM 951 N ALA A 56 -8.656 5.633 5.751 1.00 0.00 N ATOM 952 CA ALA A 56 -7.544 4.778 6.162 1.00 0.00 C ATOM 953 C ALA A 56 -6.201 5.382 5.724 1.00 0.00 C ATOM 954 O ALA A 56 -6.142 6.263 4.867 1.00 0.00 O ATOM 955 CB ALA A 56 -7.771 3.320 5.724 1.00 0.00 C ATOM 0 H ALA A 56 -8.992 5.448 4.806 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.500 4.739 7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.927 2.708 6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.686 2.942 6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.860 3.276 4.639 1.00 0.00 H new ATOM 961 N TYR A 57 -5.109 4.930 6.331 1.00 0.00 N ATOM 962 CA TYR A 57 -3.755 5.396 6.067 1.00 0.00 C ATOM 963 C TYR A 57 -2.854 4.165 5.945 1.00 0.00 C ATOM 964 O TYR A 57 -2.715 3.388 6.893 1.00 0.00 O ATOM 965 CB TYR A 57 -3.294 6.354 7.182 1.00 0.00 C ATOM 966 CG TYR A 57 -4.092 7.646 7.316 1.00 0.00 C ATOM 967 CD1 TYR A 57 -5.366 7.644 7.924 1.00 0.00 C ATOM 968 CD2 TYR A 57 -3.555 8.860 6.845 1.00 0.00 C ATOM 969 CE1 TYR A 57 -6.127 8.825 7.996 1.00 0.00 C ATOM 970 CE2 TYR A 57 -4.295 10.055 6.956 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.589 10.039 7.519 1.00 0.00 C ATOM 972 OH TYR A 57 -6.303 11.195 7.611 1.00 0.00 O ATOM 0 H TYR A 57 -5.145 4.203 7.046 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.708 5.962 5.137 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.336 5.822 8.133 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.249 6.611 7.006 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.760 6.727 8.338 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.572 8.876 6.397 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.122 8.802 8.416 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.870 10.985 6.609 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.780 11.933 7.235 1.00 0.00 H new ATOM 982 N ILE A 58 -2.259 3.970 4.765 1.00 0.00 N ATOM 983 CA ILE A 58 -1.261 2.924 4.532 1.00 0.00 C ATOM 984 C ILE A 58 0.090 3.486 4.958 1.00 0.00 C ATOM 985 O ILE A 58 0.682 4.272 4.221 1.00 0.00 O ATOM 986 CB ILE A 58 -1.211 2.469 3.054 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.575 2.231 2.382 1.00 0.00 C ATOM 988 CG2 ILE A 58 -0.320 1.222 2.970 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.410 1.120 3.008 1.00 0.00 C ATOM 0 H ILE A 58 -2.458 4.537 3.940 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.527 2.040 5.111 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.794 3.298 2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.147 3.158 2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.410 1.994 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.268 0.881 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.682 1.467 3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.740 0.432 3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.353 1.025 2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.864 0.179 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.612 1.361 4.052 1.00 0.00 H new ATOM 1001 N LYS A 59 0.567 3.120 6.146 1.00 0.00 N ATOM 1002 CA LYS A 59 1.857 3.563 6.693 1.00 0.00 C ATOM 1003 C LYS A 59 2.888 2.434 6.630 1.00 0.00 C ATOM 1004 O LYS A 59 2.555 1.254 6.759 1.00 0.00 O ATOM 1005 CB LYS A 59 1.681 4.120 8.116 1.00 0.00 C ATOM 1006 CG LYS A 59 0.541 5.152 8.232 1.00 0.00 C ATOM 1007 CD LYS A 59 0.632 6.015 9.498 1.00 0.00 C ATOM 1008 CE LYS A 59 0.611 5.176 10.776 1.00 0.00 C ATOM 1009 NZ LYS A 59 0.803 6.029 11.975 1.00 0.00 N ATOM 0 H LYS A 59 0.060 2.494 6.772 1.00 0.00 H new ATOM 0 HA LYS A 59 2.240 4.377 6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.485 3.294 8.800 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.615 4.583 8.435 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.557 5.801 7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.415 4.629 8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.549 6.604 9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.199 6.720 9.515 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.338 4.645 10.851 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.396 4.421 10.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.504 5.507 12.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.807 6.285 12.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.232 6.893 11.881 1.00 0.00 H new ATOM 1023 N LEU A 60 4.152 2.794 6.429 1.00 0.00 N ATOM 1024 CA LEU A 60 5.259 1.849 6.279 1.00 0.00 C ATOM 1025 C LEU A 60 6.382 2.184 7.267 1.00 0.00 C ATOM 1026 O LEU A 60 6.806 3.336 7.364 1.00 0.00 O ATOM 1027 CB LEU A 60 5.739 1.875 4.819 1.00 0.00 C ATOM 1028 CG LEU A 60 4.720 1.335 3.795 1.00 0.00 C ATOM 1029 CD1 LEU A 60 5.250 1.576 2.386 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.486 -0.169 3.953 1.00 0.00 C ATOM 0 H LEU A 60 4.443 3.769 6.364 1.00 0.00 H new ATOM 0 HA LEU A 60 4.928 0.837 6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.992 2.901 4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.656 1.290 4.742 1.00 0.00 H new ATOM 0 HG LEU A 60 3.779 1.857 3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.533 1.196 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.394 2.645 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.202 1.059 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.761 -0.504 3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.426 -0.701 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.103 -0.375 4.953 1.00 0.00 H new ATOM 1042 N GLU A 61 6.851 1.181 8.005 1.00 0.00 N ATOM 1043 CA GLU A 61 7.761 1.329 9.146 1.00 0.00 C ATOM 1044 C GLU A 61 9.047 0.505 8.978 1.00 0.00 C ATOM 1045 O GLU A 61 9.031 -0.596 8.425 1.00 0.00 O ATOM 1046 CB GLU A 61 7.062 0.923 10.455 1.00 0.00 C ATOM 1047 CG GLU A 61 5.834 1.781 10.793 1.00 0.00 C ATOM 1048 CD GLU A 61 5.333 1.540 12.233 1.00 0.00 C ATOM 1049 OE1 GLU A 61 4.926 2.517 12.904 1.00 0.00 O ATOM 1050 OE2 GLU A 61 5.273 0.371 12.690 1.00 0.00 O ATOM 0 H GLU A 61 6.602 0.209 7.822 1.00 0.00 H new ATOM 0 HA GLU A 61 8.039 2.382 9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.756 -0.121 10.384 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.778 0.991 11.274 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.084 2.835 10.669 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.032 1.558 10.089 1.00 0.00 H new ATOM 1057 N ASP A 62 10.169 1.006 9.493 1.00 0.00 N ATOM 1058 CA ASP A 62 11.435 0.290 9.538 1.00 0.00 C ATOM 1059 C ASP A 62 11.361 -0.866 10.550 1.00 0.00 C ATOM 1060 O ASP A 62 10.886 -0.706 11.678 1.00 0.00 O ATOM 1061 CB ASP A 62 12.542 1.298 9.866 1.00 0.00 C ATOM 1062 CG ASP A 62 13.862 0.589 10.172 1.00 0.00 C ATOM 1063 OD1 ASP A 62 14.091 0.306 11.369 1.00 0.00 O ATOM 1064 OD2 ASP A 62 14.620 0.269 9.229 1.00 0.00 O ATOM 0 H ASP A 62 10.220 1.941 9.898 1.00 0.00 H new ATOM 0 HA ASP A 62 11.660 -0.166 8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.678 1.979 9.026 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.244 1.903 10.722 1.00 0.00 H new ATOM 1069 N LYS A 63 11.863 -2.038 10.149 1.00 0.00 N ATOM 1070 CA LYS A 63 11.768 -3.300 10.905 1.00 0.00 C ATOM 1071 C LYS A 63 12.538 -3.282 12.242 1.00 0.00 C ATOM 1072 O LYS A 63 12.282 -4.115 13.111 1.00 0.00 O ATOM 1073 CB LYS A 63 12.251 -4.424 9.966 1.00 0.00 C ATOM 1074 CG LYS A 63 12.029 -5.848 10.502 1.00 0.00 C ATOM 1075 CD LYS A 63 12.474 -6.930 9.506 1.00 0.00 C ATOM 1076 CE LYS A 63 11.570 -7.025 8.271 1.00 0.00 C ATOM 1077 NZ LYS A 63 12.075 -8.053 7.328 1.00 0.00 N ATOM 0 H LYS A 63 12.362 -2.143 9.265 1.00 0.00 H new ATOM 0 HA LYS A 63 10.733 -3.464 11.206 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.737 -4.326 9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.315 -4.285 9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.578 -5.971 11.435 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.973 -5.985 10.733 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.495 -6.722 9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.490 -7.895 10.012 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.554 -7.273 8.577 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.525 -6.057 7.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.468 -8.078 6.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.049 -7.819 7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.062 -8.984 7.790 1.00 0.00 H new ATOM 1091 N VAL A 64 13.465 -2.337 12.419 1.00 0.00 N ATOM 1092 CA VAL A 64 14.414 -2.260 13.542 1.00 0.00 C ATOM 1093 C VAL A 64 13.984 -1.212 14.563 1.00 0.00 C ATOM 1094 O VAL A 64 14.216 -1.387 15.762 1.00 0.00 O ATOM 1095 CB VAL A 64 15.841 -1.940 13.033 1.00 0.00 C ATOM 1096 CG1 VAL A 64 16.896 -2.360 14.063 1.00 0.00 C ATOM 1097 CG2 VAL A 64 16.179 -2.621 11.698 1.00 0.00 C ATOM 0 H VAL A 64 13.583 -1.570 11.757 1.00 0.00 H new ATOM 0 HA VAL A 64 14.420 -3.234 14.031 1.00 0.00 H new ATOM 0 HB VAL A 64 15.857 -0.861 12.879 1.00 0.00 H new ATOM 0 HG11 VAL A 64 17.890 -2.125 13.682 1.00 0.00 H new ATOM 0 HG12 VAL A 64 16.728 -1.822 14.996 1.00 0.00 H new ATOM 0 HG13 VAL A 64 16.821 -3.432 14.244 1.00 0.00 H new ATOM 0 HG21 VAL A 64 17.193 -2.354 11.400 1.00 0.00 H new ATOM 0 HG22 VAL A 64 16.107 -3.703 11.813 1.00 0.00 H new ATOM 0 HG23 VAL A 64 15.477 -2.290 10.933 1.00 0.00 H new ATOM 1107 N SER A 65 13.345 -0.135 14.098 1.00 0.00 N ATOM 1108 CA SER A 65 13.094 1.069 14.897 1.00 0.00 C ATOM 1109 C SER A 65 11.633 1.531 14.921 1.00 0.00 C ATOM 1110 O SER A 65 11.266 2.368 15.751 1.00 0.00 O ATOM 1111 CB SER A 65 13.978 2.206 14.371 1.00 0.00 C ATOM 1112 OG SER A 65 13.682 2.470 13.010 1.00 0.00 O ATOM 0 H SER A 65 12.983 -0.073 13.146 1.00 0.00 H new ATOM 0 HA SER A 65 13.337 0.807 15.927 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.818 3.105 14.966 1.00 0.00 H new ATOM 0 HB3 SER A 65 15.029 1.937 14.476 1.00 0.00 H new ATOM 0 HG SER A 65 13.893 1.680 12.470 1.00 0.00 H new ATOM 1118 N GLY A 66 10.793 1.019 14.016 1.00 0.00 N ATOM 1119 CA GLY A 66 9.438 1.520 13.783 1.00 0.00 C ATOM 1120 C GLY A 66 9.388 2.883 13.072 1.00 0.00 C ATOM 1121 O GLY A 66 8.318 3.488 13.001 1.00 0.00 O ATOM 0 H GLY A 66 11.041 0.232 13.416 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.890 0.791 13.187 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.923 1.602 14.740 1.00 0.00 H new ATOM 1125 N GLU A 67 10.515 3.395 12.560 1.00 0.00 N ATOM 1126 CA GLU A 67 10.581 4.729 11.937 1.00 0.00 C ATOM 1127 C GLU A 67 9.840 4.779 10.596 1.00 0.00 C ATOM 1128 O GLU A 67 9.884 3.830 9.812 1.00 0.00 O ATOM 1129 CB GLU A 67 12.035 5.188 11.753 1.00 0.00 C ATOM 1130 CG GLU A 67 12.678 5.637 13.070 1.00 0.00 C ATOM 1131 CD GLU A 67 12.251 7.066 13.462 1.00 0.00 C ATOM 1132 OE1 GLU A 67 12.977 8.035 13.128 1.00 0.00 O ATOM 1133 OE2 GLU A 67 11.188 7.236 14.107 1.00 0.00 O ATOM 0 H GLU A 67 11.406 2.899 12.565 1.00 0.00 H new ATOM 0 HA GLU A 67 10.081 5.415 12.621 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.619 4.373 11.326 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.066 6.010 11.038 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.400 4.944 13.864 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.763 5.595 12.977 1.00 0.00 H new ATOM 1140 N LEU A 68 9.166 5.899 10.323 1.00 0.00 N ATOM 1141 CA LEU A 68 8.295 6.046 9.151 1.00 0.00 C ATOM 1142 C LEU A 68 9.108 6.178 7.847 1.00 0.00 C ATOM 1143 O LEU A 68 9.892 7.116 7.681 1.00 0.00 O ATOM 1144 CB LEU A 68 7.341 7.240 9.363 1.00 0.00 C ATOM 1145 CG LEU A 68 6.218 7.340 8.310 1.00 0.00 C ATOM 1146 CD1 LEU A 68 5.130 6.286 8.526 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.546 8.711 8.384 1.00 0.00 C ATOM 0 H LEU A 68 9.208 6.733 10.909 1.00 0.00 H new ATOM 0 HA LEU A 68 7.697 5.141 9.043 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.891 7.161 10.353 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.921 8.163 9.349 1.00 0.00 H new ATOM 0 HG LEU A 68 6.688 7.181 7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.361 6.395 7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.569 5.291 8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.684 6.420 9.511 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.755 8.769 7.636 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.118 8.853 9.376 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.285 9.489 8.192 1.00 0.00 H new ATOM 1159 N PHE A 69 8.875 5.266 6.902 1.00 0.00 N ATOM 1160 CA PHE A 69 9.385 5.322 5.528 1.00 0.00 C ATOM 1161 C PHE A 69 8.482 6.185 4.633 1.00 0.00 C ATOM 1162 O PHE A 69 8.950 7.134 4.000 1.00 0.00 O ATOM 1163 CB PHE A 69 9.518 3.888 4.996 1.00 0.00 C ATOM 1164 CG PHE A 69 9.665 3.781 3.489 1.00 0.00 C ATOM 1165 CD1 PHE A 69 8.763 2.997 2.749 1.00 0.00 C ATOM 1166 CD2 PHE A 69 10.685 4.481 2.819 1.00 0.00 C ATOM 1167 CE1 PHE A 69 8.868 2.916 1.351 1.00 0.00 C ATOM 1168 CE2 PHE A 69 10.783 4.411 1.419 1.00 0.00 C ATOM 1169 CZ PHE A 69 9.871 3.634 0.679 1.00 0.00 C ATOM 0 H PHE A 69 8.306 4.438 7.077 1.00 0.00 H new ATOM 0 HA PHE A 69 10.366 5.797 5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.383 3.420 5.466 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.641 3.318 5.303 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.983 2.452 3.260 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.393 5.072 3.381 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.177 2.302 0.792 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.562 4.956 0.907 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.942 3.590 -0.398 1.00 0.00 H new ATOM 1179 N ALA A 70 7.185 5.869 4.606 1.00 0.00 N ATOM 1180 CA ALA A 70 6.170 6.550 3.805 1.00 0.00 C ATOM 1181 C ALA A 70 4.772 6.372 4.411 1.00 0.00 C ATOM 1182 O ALA A 70 4.536 5.452 5.201 1.00 0.00 O ATOM 1183 CB ALA A 70 6.192 5.976 2.381 1.00 0.00 C ATOM 0 H ALA A 70 6.801 5.105 5.162 1.00 0.00 H new ATOM 0 HA ALA A 70 6.396 7.616 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.438 6.478 1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.176 6.134 1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.978 4.908 2.416 1.00 0.00 H new ATOM 1189 N GLN A 71 3.828 7.216 3.985 1.00 0.00 N ATOM 1190 CA GLN A 71 2.400 6.994 4.208 1.00 0.00 C ATOM 1191 C GLN A 71 1.536 7.472 3.032 1.00 0.00 C ATOM 1192 O GLN A 71 1.816 8.517 2.442 1.00 0.00 O ATOM 1193 CB GLN A 71 1.943 7.590 5.551 1.00 0.00 C ATOM 1194 CG GLN A 71 2.208 9.096 5.727 1.00 0.00 C ATOM 1195 CD GLN A 71 1.816 9.606 7.116 1.00 0.00 C ATOM 1196 OE1 GLN A 71 1.073 8.990 7.869 1.00 0.00 O ATOM 1197 NE2 GLN A 71 2.301 10.761 7.519 1.00 0.00 N ATOM 0 H GLN A 71 4.035 8.074 3.474 1.00 0.00 H new ATOM 0 HA GLN A 71 2.252 5.916 4.266 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.874 7.410 5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.444 7.053 6.357 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.265 9.297 5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.652 9.650 4.971 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.922 11.294 6.910 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.056 11.124 8.440 1.00 0.00 H new ATOM 1206 N ALA A 72 0.483 6.717 2.706 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.539 7.074 1.718 1.00 0.00 C ATOM 1208 C ALA A 72 -1.930 7.178 2.390 1.00 0.00 C ATOM 1209 O ALA A 72 -2.422 6.163 2.897 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.572 6.023 0.599 1.00 0.00 C ATOM 0 H ALA A 72 0.313 5.809 3.138 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.288 8.045 1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.334 6.294 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.401 5.981 0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.807 5.047 1.023 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.593 8.349 2.404 1.00 0.00 N ATOM 1217 CA PRO A 73 -3.973 8.475 2.874 1.00 0.00 C ATOM 1218 C PRO A 73 -4.963 7.956 1.816 1.00 0.00 C ATOM 1219 O PRO A 73 -4.857 8.311 0.640 1.00 0.00 O ATOM 1220 CB PRO A 73 -4.155 9.968 3.157 1.00 0.00 C ATOM 1221 CG PRO A 73 -3.225 10.640 2.144 1.00 0.00 C ATOM 1222 CD PRO A 73 -2.070 9.648 1.998 1.00 0.00 C ATOM 0 HA PRO A 73 -4.169 7.878 3.765 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.190 10.279 3.019 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.880 10.219 4.182 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.727 10.812 1.192 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.877 11.609 2.501 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.711 9.618 0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.226 9.940 2.622 1.00 0.00 H new ATOM 1230 N VAL A 74 -5.944 7.144 2.223 1.00 0.00 N ATOM 1231 CA VAL A 74 -6.978 6.559 1.349 1.00 0.00 C ATOM 1232 C VAL A 74 -8.383 6.943 1.819 1.00 0.00 C ATOM 1233 O VAL A 74 -8.719 6.810 2.995 1.00 0.00 O ATOM 1234 CB VAL A 74 -6.838 5.026 1.163 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -5.394 4.572 0.899 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -7.333 4.149 2.309 1.00 0.00 C ATOM 0 H VAL A 74 -6.048 6.864 3.198 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.818 6.991 0.361 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.487 4.880 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.369 3.489 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.024 5.047 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.763 4.858 1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.180 3.100 2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.779 4.389 3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.395 4.331 2.474 1.00 0.00 H new ATOM 1246 N GLU A 75 -9.230 7.389 0.889 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.617 7.810 1.156 1.00 0.00 C ATOM 1248 C GLU A 75 -11.639 6.981 0.350 1.00 0.00 C ATOM 1249 O GLU A 75 -12.837 7.258 0.359 1.00 0.00 O ATOM 1250 CB GLU A 75 -10.711 9.337 0.951 1.00 0.00 C ATOM 1251 CG GLU A 75 -11.959 10.032 1.534 1.00 0.00 C ATOM 1252 CD GLU A 75 -13.126 10.213 0.541 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -12.899 10.577 -0.637 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -14.304 10.011 0.929 1.00 0.00 O ATOM 0 H GLU A 75 -8.970 7.471 -0.094 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.887 7.604 2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.827 9.796 1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.675 9.541 -0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.314 9.454 2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.668 11.012 1.912 1.00 0.00 H new ATOM 1261 N GLN A 76 -11.173 5.943 -0.350 1.00 0.00 N ATOM 1262 CA GLN A 76 -11.965 4.968 -1.091 1.00 0.00 C ATOM 1263 C GLN A 76 -11.139 3.692 -1.320 1.00 0.00 C ATOM 1264 O GLN A 76 -9.914 3.769 -1.461 1.00 0.00 O ATOM 1265 CB GLN A 76 -12.458 5.569 -2.426 1.00 0.00 C ATOM 1266 CG GLN A 76 -11.414 5.755 -3.544 1.00 0.00 C ATOM 1267 CD GLN A 76 -10.281 6.731 -3.225 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -10.365 7.926 -3.469 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -9.167 6.265 -2.695 1.00 0.00 N ATOM 0 H GLN A 76 -10.173 5.753 -0.416 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.846 4.705 -0.506 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.254 4.931 -2.810 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.903 6.541 -2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.979 4.783 -3.778 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.926 6.099 -4.443 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.079 5.271 -2.485 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.393 6.899 -2.495 1.00 0.00 H new ATOM 1278 N TYR A 77 -11.803 2.541 -1.421 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.178 1.269 -1.793 1.00 0.00 C ATOM 1280 C TYR A 77 -11.986 0.441 -2.816 1.00 0.00 C ATOM 1281 O TYR A 77 -13.158 0.148 -2.554 1.00 0.00 O ATOM 1282 CB TYR A 77 -10.890 0.428 -0.537 1.00 0.00 C ATOM 1283 CG TYR A 77 -9.977 -0.741 -0.835 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -8.705 -0.431 -1.316 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -10.354 -2.087 -0.674 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -7.800 -1.430 -1.688 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -9.439 -3.106 -1.019 1.00 0.00 C ATOM 1288 CZ TYR A 77 -8.165 -2.784 -1.538 1.00 0.00 C ATOM 1289 OH TYR A 77 -7.297 -3.771 -1.893 1.00 0.00 O ATOM 0 H TYR A 77 -12.805 2.463 -1.244 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.245 1.532 -2.292 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.434 1.059 0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.829 0.059 -0.125 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.412 0.605 -1.403 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -11.332 -2.338 -0.291 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.831 -1.167 -2.086 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.716 -4.141 -0.885 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.708 -4.644 -1.723 1.00 0.00 H new ATOM 1299 N PRO A 78 -11.374 -0.001 -3.940 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.101 0.470 -4.515 1.00 0.00 C ATOM 1301 C PRO A 78 -10.148 1.945 -4.960 1.00 0.00 C ATOM 1302 O PRO A 78 -11.227 2.530 -5.088 1.00 0.00 O ATOM 1303 CB PRO A 78 -9.813 -0.457 -5.705 1.00 0.00 C ATOM 1304 CG PRO A 78 -10.651 -1.700 -5.411 1.00 0.00 C ATOM 1305 CD PRO A 78 -11.883 -1.102 -4.739 1.00 0.00 C ATOM 0 HA PRO A 78 -9.313 0.432 -3.763 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.100 0.004 -6.650 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -8.752 -0.698 -5.777 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -10.906 -2.244 -6.320 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.129 -2.399 -4.757 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.606 -0.754 -5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.391 -1.839 -4.118 1.00 0.00 H new ATOM 1313 N GLY A 79 -8.985 2.551 -5.214 1.00 0.00 N ATOM 1314 CA GLY A 79 -8.863 3.936 -5.694 1.00 0.00 C ATOM 1315 C GLY A 79 -7.490 4.283 -6.280 1.00 0.00 C ATOM 1316 O GLY A 79 -6.741 3.406 -6.704 1.00 0.00 O ATOM 0 H GLY A 79 -8.085 2.088 -5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.624 4.113 -6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.074 4.614 -4.867 1.00 0.00 H new ATOM 1320 N ILE A 80 -7.135 5.574 -6.277 1.00 0.00 N ATOM 1321 CA ILE A 80 -5.809 6.046 -6.718 1.00 0.00 C ATOM 1322 C ILE A 80 -4.764 5.833 -5.623 1.00 0.00 C ATOM 1323 O ILE A 80 -3.601 5.547 -5.907 1.00 0.00 O ATOM 1324 CB ILE A 80 -5.873 7.524 -7.179 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.561 8.053 -7.802 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -6.240 8.491 -6.036 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -4.008 7.203 -8.949 1.00 0.00 C ATOM 0 H ILE A 80 -7.756 6.323 -5.970 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.501 5.453 -7.579 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.653 7.505 -7.940 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.731 9.066 -8.168 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.805 8.120 -7.020 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.270 9.511 -6.418 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.218 8.225 -5.634 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.492 8.421 -5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.087 7.651 -9.323 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.801 6.196 -8.588 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.742 7.156 -9.754 1.00 0.00 H new ATOM 1339 N ALA A 81 -5.188 5.941 -4.358 1.00 0.00 N ATOM 1340 CA ALA A 81 -4.292 5.823 -3.225 1.00 0.00 C ATOM 1341 C ALA A 81 -3.984 4.373 -2.838 1.00 0.00 C ATOM 1342 O ALA A 81 -2.993 4.157 -2.146 1.00 0.00 O ATOM 1343 CB ALA A 81 -4.814 6.652 -2.056 1.00 0.00 C ATOM 0 H ALA A 81 -6.161 6.112 -4.102 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.327 6.231 -3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.134 6.557 -1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.879 7.699 -2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.803 6.294 -1.769 1.00 0.00 H new ATOM 1349 N VAL A 82 -4.776 3.393 -3.288 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.508 1.962 -3.141 1.00 0.00 C ATOM 1351 C VAL A 82 -5.233 1.179 -4.258 1.00 0.00 C ATOM 1352 O VAL A 82 -6.446 1.297 -4.443 1.00 0.00 O ATOM 1353 CB VAL A 82 -4.893 1.514 -1.724 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.308 1.944 -1.347 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.552 0.039 -1.530 1.00 0.00 C ATOM 0 H VAL A 82 -5.649 3.583 -3.780 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.445 1.751 -3.258 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.286 2.041 -0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.534 1.604 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.382 3.031 -1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.020 1.505 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.829 -0.269 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.101 -0.560 -2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.482 -0.109 -1.673 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.492 0.378 -5.021 1.00 0.00 N ATOM 1366 CA GLU A 83 -4.981 -0.389 -6.180 1.00 0.00 C ATOM 1367 C GLU A 83 -4.317 -1.771 -6.283 1.00 0.00 C ATOM 1368 O GLU A 83 -3.165 -1.945 -5.890 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.732 0.422 -7.473 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.980 0.605 -8.343 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.421 -0.696 -9.034 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -7.070 -1.537 -8.368 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -6.119 -0.876 -10.238 1.00 0.00 O ATOM 0 H GLU A 83 -3.497 0.236 -4.848 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.049 -0.557 -6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.341 1.404 -7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.962 -0.078 -8.061 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.797 0.977 -7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.782 1.364 -9.100 1.00 0.00 H new ATOM 1380 N THR A 84 -5.009 -2.752 -6.869 1.00 0.00 N ATOM 1381 CA THR A 84 -4.442 -4.066 -7.202 1.00 0.00 C ATOM 1382 C THR A 84 -4.031 -4.056 -8.667 1.00 0.00 C ATOM 1383 O THR A 84 -4.799 -4.410 -9.556 1.00 0.00 O ATOM 1384 CB THR A 84 -5.406 -5.224 -6.940 1.00 0.00 C ATOM 1385 OG1 THR A 84 -6.204 -5.039 -5.784 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.649 -6.528 -6.756 1.00 0.00 C ATOM 0 H THR A 84 -5.991 -2.657 -7.129 1.00 0.00 H new ATOM 0 HA THR A 84 -3.583 -4.231 -6.552 1.00 0.00 H new ATOM 0 HB THR A 84 -6.053 -5.258 -7.816 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.799 -5.809 -5.671 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.356 -7.336 -6.571 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.076 -6.746 -7.657 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.971 -6.438 -5.908 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.789 -3.627 -8.877 1.00 0.00 N ATOM 1395 CA VAL A 85 -1.907 -3.878 -10.036 1.00 0.00 C ATOM 1396 C VAL A 85 -2.605 -4.189 -11.368 1.00 0.00 C ATOM 1397 O VAL A 85 -2.682 -3.316 -12.233 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.833 -4.926 -9.680 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.289 -4.220 -8.918 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.326 -6.085 -8.804 1.00 0.00 C ATOM 0 H VAL A 85 -2.324 -3.041 -8.184 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.429 -2.919 -10.235 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.513 -5.361 -10.626 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.061 -4.943 -8.655 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.720 -3.440 -9.546 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.114 -3.773 -8.009 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.501 -6.769 -8.607 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.705 -5.692 -7.860 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.124 -6.618 -9.321 1.00 0.00 H new ATOM 1410 N THR A 86 -3.110 -5.414 -11.524 1.00 0.00 N ATOM 1411 CA THR A 86 -4.189 -5.765 -12.463 1.00 0.00 C ATOM 1412 C THR A 86 -5.197 -6.713 -11.827 1.00 0.00 C ATOM 1413 O THR A 86 -6.400 -6.443 -11.836 1.00 0.00 O ATOM 1414 CB THR A 86 -3.679 -6.444 -13.738 1.00 0.00 C ATOM 1415 OG1 THR A 86 -2.675 -7.385 -13.443 1.00 0.00 O ATOM 1416 CG2 THR A 86 -3.086 -5.419 -14.690 1.00 0.00 C ATOM 0 H THR A 86 -2.774 -6.214 -10.988 1.00 0.00 H new ATOM 0 HA THR A 86 -4.653 -4.813 -12.719 1.00 0.00 H new ATOM 0 HB THR A 86 -4.533 -6.942 -14.198 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.367 -7.806 -14.273 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.729 -5.921 -15.589 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.849 -4.689 -14.960 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.253 -4.910 -14.204 1.00 0.00 H new ATOM 1424 N ASP A 87 -4.708 -7.833 -11.289 1.00 0.00 N ATOM 1425 CA ASP A 87 -5.552 -8.960 -10.881 1.00 0.00 C ATOM 1426 C ASP A 87 -5.018 -9.685 -9.638 1.00 0.00 C ATOM 1427 O ASP A 87 -5.628 -9.554 -8.574 1.00 0.00 O ATOM 1428 CB ASP A 87 -5.761 -9.898 -12.076 1.00 0.00 C ATOM 1429 CG ASP A 87 -7.033 -9.554 -12.869 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -8.145 -9.798 -12.346 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -6.925 -9.081 -14.026 1.00 0.00 O ATOM 0 H ASP A 87 -3.713 -7.985 -11.123 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.523 -8.571 -10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.896 -9.840 -12.737 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.823 -10.927 -11.722 1.00 0.00 H new ATOM 1436 N SER A 88 -3.888 -10.403 -9.729 1.00 0.00 N ATOM 1437 CA SER A 88 -3.241 -10.962 -8.525 1.00 0.00 C ATOM 1438 C SER A 88 -3.025 -9.953 -7.408 1.00 0.00 C ATOM 1439 O SER A 88 -2.537 -8.844 -7.626 1.00 0.00 O ATOM 1440 CB SER A 88 -1.868 -11.574 -8.759 1.00 0.00 C ATOM 1441 OG SER A 88 -1.525 -12.412 -7.681 1.00 0.00 O ATOM 0 H SER A 88 -3.408 -10.609 -10.605 1.00 0.00 H new ATOM 0 HA SER A 88 -3.966 -11.726 -8.245 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.868 -12.144 -9.688 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.123 -10.786 -8.869 1.00 0.00 H new ATOM 0 HG SER A 88 -0.641 -12.804 -7.840 1.00 0.00 H new ATOM 1447 N SER A 89 -3.272 -10.400 -6.183 1.00 0.00 N ATOM 1448 CA SER A 89 -2.979 -9.653 -4.969 1.00 0.00 C ATOM 1449 C SER A 89 -1.801 -10.245 -4.194 1.00 0.00 C ATOM 1450 O SER A 89 -1.847 -10.343 -2.974 1.00 0.00 O ATOM 1451 CB SER A 89 -4.264 -9.464 -4.180 1.00 0.00 C ATOM 1452 OG SER A 89 -4.715 -10.679 -3.603 1.00 0.00 O ATOM 0 H SER A 89 -3.691 -11.312 -6.003 1.00 0.00 H new ATOM 0 HA SER A 89 -2.623 -8.653 -5.216 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.102 -8.727 -3.393 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.037 -9.065 -4.836 1.00 0.00 H new ATOM 0 HG SER A 89 -5.542 -10.516 -3.103 1.00 0.00 H new ATOM 1458 N ARG A 90 -0.724 -10.629 -4.899 1.00 0.00 N ATOM 1459 CA ARG A 90 0.651 -10.650 -4.344 1.00 0.00 C ATOM 1460 C ARG A 90 1.187 -9.226 -4.118 1.00 0.00 C ATOM 1461 O ARG A 90 2.090 -9.015 -3.305 1.00 0.00 O ATOM 1462 CB ARG A 90 1.604 -11.362 -5.322 1.00 0.00 C ATOM 1463 CG ARG A 90 1.302 -12.846 -5.549 1.00 0.00 C ATOM 1464 CD ARG A 90 2.213 -13.416 -6.642 1.00 0.00 C ATOM 1465 NE ARG A 90 1.704 -14.706 -7.135 1.00 0.00 N ATOM 1466 CZ ARG A 90 2.044 -15.925 -6.775 1.00 0.00 C ATOM 1467 NH1 ARG A 90 1.465 -16.946 -7.327 1.00 0.00 N ATOM 1468 NH2 ARG A 90 2.951 -16.159 -5.866 1.00 0.00 N ATOM 0 H ARG A 90 -0.776 -10.935 -5.871 1.00 0.00 H new ATOM 0 HA ARG A 90 0.607 -11.178 -3.391 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.567 -10.847 -6.282 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.623 -11.266 -4.948 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.447 -13.399 -4.621 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.258 -12.971 -5.835 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.282 -12.709 -7.468 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.221 -13.545 -6.249 1.00 0.00 H new ATOM 0 HE ARG A 90 0.987 -14.647 -7.858 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.748 -16.803 -8.038 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.727 -17.892 -7.050 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.425 -15.381 -5.406 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.186 -17.119 -5.615 1.00 0.00 H new ATOM 1482 N TYR A 91 0.628 -8.266 -4.859 1.00 0.00 N ATOM 1483 CA TYR A 91 1.088 -6.886 -4.979 1.00 0.00 C ATOM 1484 C TYR A 91 -0.061 -5.881 -4.863 1.00 0.00 C ATOM 1485 O TYR A 91 -1.227 -6.218 -5.084 1.00 0.00 O ATOM 1486 CB TYR A 91 1.744 -6.665 -6.353 1.00 0.00 C ATOM 1487 CG TYR A 91 2.642 -7.766 -6.859 1.00 0.00 C ATOM 1488 CD1 TYR A 91 2.149 -8.644 -7.841 1.00 0.00 C ATOM 1489 CD2 TYR A 91 3.951 -7.909 -6.364 1.00 0.00 C ATOM 1490 CE1 TYR A 91 2.962 -9.678 -8.328 1.00 0.00 C ATOM 1491 CE2 TYR A 91 4.769 -8.949 -6.849 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.272 -9.839 -7.829 1.00 0.00 C ATOM 1493 OH TYR A 91 5.046 -10.857 -8.291 1.00 0.00 O ATOM 0 H TYR A 91 -0.204 -8.444 -5.422 1.00 0.00 H new ATOM 0 HA TYR A 91 1.795 -6.725 -4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.953 -6.507 -7.086 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.326 -5.745 -6.308 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.145 -8.522 -8.220 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.327 -7.226 -5.617 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.586 -10.351 -9.085 1.00 0.00 H new ATOM 0 HE2 TYR A 91 5.774 -9.066 -6.473 1.00 0.00 H new ATOM 0 HH TYR A 91 5.920 -10.830 -7.849 1.00 0.00 H new ATOM 1503 N PHE A 92 0.309 -4.623 -4.633 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.556 -3.447 -4.757 1.00 0.00 C ATOM 1505 C PHE A 92 0.216 -2.283 -5.379 1.00 0.00 C ATOM 1506 O PHE A 92 1.424 -2.372 -5.592 1.00 0.00 O ATOM 1507 CB PHE A 92 -1.114 -3.059 -3.380 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.992 -4.142 -2.806 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -3.318 -4.289 -3.257 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.451 -5.053 -1.885 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -4.102 -5.360 -2.799 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.244 -6.111 -1.417 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.562 -6.277 -1.883 1.00 0.00 C ATOM 0 H PHE A 92 1.257 -4.383 -4.343 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.392 -3.688 -5.413 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.289 -2.860 -2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.686 -2.135 -3.467 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.732 -3.577 -3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.434 -4.940 -1.540 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.117 -5.478 -3.150 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.840 -6.804 -0.693 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.157 -7.109 -1.536 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.476 -1.178 -5.630 1.00 0.00 N ATOM 1524 CA VAL A 93 0.103 0.151 -5.849 1.00 0.00 C ATOM 1525 C VAL A 93 -0.568 1.132 -4.899 1.00 0.00 C ATOM 1526 O VAL A 93 -1.789 1.097 -4.772 1.00 0.00 O ATOM 1527 CB VAL A 93 -0.062 0.603 -7.309 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.417 2.042 -7.517 1.00 0.00 C ATOM 1529 CG2 VAL A 93 0.740 -0.313 -8.237 1.00 0.00 C ATOM 0 H VAL A 93 -1.494 -1.178 -5.690 1.00 0.00 H new ATOM 0 HA VAL A 93 1.174 0.114 -5.649 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.125 0.549 -7.543 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.283 2.323 -8.562 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.163 2.714 -6.884 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.472 2.116 -7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.616 0.016 -9.269 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.795 -0.271 -7.967 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.380 -1.337 -8.137 1.00 0.00 H new ATOM 1539 N ILE A 94 0.196 2.011 -4.251 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.332 3.085 -3.400 1.00 0.00 C ATOM 1541 C ILE A 94 0.278 4.450 -3.761 1.00 0.00 C ATOM 1542 O ILE A 94 1.406 4.535 -4.257 1.00 0.00 O ATOM 1543 CB ILE A 94 -0.209 2.755 -1.887 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.257 2.755 -1.416 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -0.850 1.399 -1.538 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.380 2.750 0.110 1.00 0.00 C ATOM 0 H ILE A 94 1.215 2.000 -4.301 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.400 3.157 -3.604 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.749 3.545 -1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.766 1.881 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.764 3.633 -1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.741 1.209 -0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.909 1.420 -1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.355 0.607 -2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.433 2.750 0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.896 3.638 0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.898 1.858 0.511 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.469 5.528 -3.490 1.00 0.00 N ATOM 1559 CA ARG A 95 -0.044 6.927 -3.701 1.00 0.00 C ATOM 1560 C ARG A 95 0.385 7.564 -2.373 1.00 0.00 C ATOM 1561 O ARG A 95 -0.442 8.115 -1.647 1.00 0.00 O ATOM 1562 CB ARG A 95 -1.152 7.692 -4.452 1.00 0.00 C ATOM 1563 CG ARG A 95 -0.722 9.051 -5.025 1.00 0.00 C ATOM 1564 CD ARG A 95 -0.594 10.133 -3.952 1.00 0.00 C ATOM 1565 NE ARG A 95 -0.387 11.466 -4.552 1.00 0.00 N ATOM 1566 CZ ARG A 95 -1.293 12.355 -4.907 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -0.898 13.498 -5.381 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -2.574 12.140 -4.805 1.00 0.00 N ATOM 0 H ARG A 95 -1.412 5.454 -3.108 1.00 0.00 H new ATOM 0 HA ARG A 95 0.841 6.970 -4.336 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.516 7.068 -5.268 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.990 7.849 -3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.234 8.938 -5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.448 9.371 -5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.494 10.145 -3.337 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.241 9.896 -3.292 1.00 0.00 H new ATOM 0 HE ARG A 95 0.584 11.734 -4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 95 0.099 13.695 -5.473 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -1.584 14.199 -5.661 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.914 11.252 -4.437 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.237 12.860 -5.093 1.00 0.00 H new ATOM 1582 N ILE A 96 1.674 7.488 -2.054 1.00 0.00 N ATOM 1583 CA ILE A 96 2.272 8.014 -0.813 1.00 0.00 C ATOM 1584 C ILE A 96 2.615 9.507 -0.893 1.00 0.00 C ATOM 1585 O ILE A 96 2.816 10.053 -1.978 1.00 0.00 O ATOM 1586 CB ILE A 96 3.537 7.216 -0.418 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.596 7.219 -1.542 1.00 0.00 C ATOM 1588 CG2 ILE A 96 3.187 5.783 -0.001 1.00 0.00 C ATOM 1589 CD1 ILE A 96 5.991 6.866 -1.039 1.00 0.00 C ATOM 0 H ILE A 96 2.360 7.046 -2.666 1.00 0.00 H new ATOM 0 HA ILE A 96 1.508 7.893 -0.045 1.00 0.00 H new ATOM 0 HB ILE A 96 3.974 7.721 0.444 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.302 6.508 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.621 8.204 -2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.098 5.250 0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.513 5.808 0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.701 5.271 -0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.694 6.884 -1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.301 7.592 -0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 96 5.977 5.870 -0.597 1.00 0.00 H new ATOM 1601 N GLN A 97 2.815 10.142 0.263 1.00 0.00 N ATOM 1602 CA GLN A 97 3.772 11.245 0.379 1.00 0.00 C ATOM 1603 C GLN A 97 5.203 10.669 0.434 1.00 0.00 C ATOM 1604 O GLN A 97 5.460 9.728 1.185 1.00 0.00 O ATOM 1605 CB GLN A 97 3.455 12.101 1.615 1.00 0.00 C ATOM 1606 CG GLN A 97 4.196 13.441 1.524 1.00 0.00 C ATOM 1607 CD GLN A 97 4.209 14.238 2.823 1.00 0.00 C ATOM 1608 OE1 GLN A 97 3.338 14.152 3.680 1.00 0.00 O ATOM 1609 NE2 GLN A 97 5.229 15.046 3.003 1.00 0.00 N ATOM 0 H GLN A 97 2.329 9.913 1.130 1.00 0.00 H new ATOM 0 HA GLN A 97 3.695 11.896 -0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.381 12.273 1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.752 11.572 2.521 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.225 13.254 1.215 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.734 14.046 0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 97 5.955 15.118 2.290 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.295 15.601 3.856 1.00 0.00 H new ATOM 1682 N SER A 103 4.616 14.009 -3.426 1.00 0.00 N ATOM 1683 CA SER A 103 3.977 12.684 -3.451 1.00 0.00 C ATOM 1684 C SER A 103 4.573 11.769 -4.531 1.00 0.00 C ATOM 1685 O SER A 103 5.203 12.243 -5.481 1.00 0.00 O ATOM 1686 CB SER A 103 2.451 12.790 -3.568 1.00 0.00 C ATOM 1687 OG SER A 103 2.024 13.413 -4.770 1.00 0.00 O ATOM 0 HA SER A 103 4.194 12.214 -2.492 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.018 11.791 -3.511 1.00 0.00 H new ATOM 0 HB3 SER A 103 2.066 13.353 -2.718 1.00 0.00 H new ATOM 0 HG SER A 103 2.698 14.063 -5.059 1.00 0.00 H new ATOM 1693 N ALA A 104 4.401 10.454 -4.370 1.00 0.00 N ATOM 1694 CA ALA A 104 4.911 9.429 -5.280 1.00 0.00 C ATOM 1695 C ALA A 104 3.983 8.206 -5.362 1.00 0.00 C ATOM 1696 O ALA A 104 3.303 7.850 -4.398 1.00 0.00 O ATOM 1697 CB ALA A 104 6.323 9.019 -4.833 1.00 0.00 C ATOM 0 H ALA A 104 3.888 10.064 -3.580 1.00 0.00 H new ATOM 0 HA ALA A 104 4.950 9.851 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.710 8.255 -5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.979 9.889 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.283 8.622 -3.819 1.00 0.00 H new ATOM 1703 N PHE A 105 3.997 7.530 -6.509 1.00 0.00 N ATOM 1704 CA PHE A 105 3.406 6.200 -6.674 1.00 0.00 C ATOM 1705 C PHE A 105 4.453 5.116 -6.395 1.00 0.00 C ATOM 1706 O PHE A 105 5.553 5.140 -6.959 1.00 0.00 O ATOM 1707 CB PHE A 105 2.799 6.061 -8.077 1.00 0.00 C ATOM 1708 CG PHE A 105 1.770 7.130 -8.381 1.00 0.00 C ATOM 1709 CD1 PHE A 105 0.453 6.999 -7.903 1.00 0.00 C ATOM 1710 CD2 PHE A 105 2.145 8.294 -9.081 1.00 0.00 C ATOM 1711 CE1 PHE A 105 -0.484 8.020 -8.135 1.00 0.00 C ATOM 1712 CE2 PHE A 105 1.213 9.325 -9.289 1.00 0.00 C ATOM 1713 CZ PHE A 105 -0.106 9.185 -8.824 1.00 0.00 C ATOM 0 H PHE A 105 4.424 7.893 -7.361 1.00 0.00 H new ATOM 0 HA PHE A 105 2.600 6.071 -5.952 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.596 6.109 -8.819 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.335 5.079 -8.171 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.162 6.113 -7.358 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.152 8.394 -9.459 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.499 7.909 -7.782 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.510 10.225 -9.806 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.827 9.971 -8.996 1.00 0.00 H new ATOM 1723 N ILE A 106 4.101 4.143 -5.552 1.00 0.00 N ATOM 1724 CA ILE A 106 4.892 2.923 -5.338 1.00 0.00 C ATOM 1725 C ILE A 106 4.028 1.685 -5.551 1.00 0.00 C ATOM 1726 O ILE A 106 2.894 1.615 -5.082 1.00 0.00 O ATOM 1727 CB ILE A 106 5.617 2.886 -3.967 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.629 2.735 -2.780 1.00 0.00 C ATOM 1729 CG2 ILE A 106 6.463 4.157 -3.785 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.249 2.695 -1.380 1.00 0.00 C ATOM 0 H ILE A 106 3.250 4.178 -4.991 1.00 0.00 H new ATOM 0 HA ILE A 106 5.687 2.930 -6.084 1.00 0.00 H new ATOM 0 HB ILE A 106 6.263 2.008 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.921 3.563 -2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.056 1.819 -2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.968 4.123 -2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.205 4.217 -4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.816 5.033 -3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.460 2.587 -0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.933 1.849 -1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 106 5.796 3.620 -1.198 1.00 0.00 H new ATOM 1742 N GLY A 107 4.591 0.687 -6.218 1.00 0.00 N ATOM 1743 CA GLY A 107 4.177 -0.697 -6.083 1.00 0.00 C ATOM 1744 C GLY A 107 4.609 -1.259 -4.727 1.00 0.00 C ATOM 1745 O GLY A 107 5.605 -0.826 -4.140 1.00 0.00 O ATOM 0 H GLY A 107 5.358 0.821 -6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.094 -0.770 -6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.613 -1.292 -6.885 1.00 0.00 H new ATOM 1749 N ILE A 108 3.873 -2.248 -4.237 1.00 0.00 N ATOM 1750 CA ILE A 108 4.198 -3.025 -3.039 1.00 0.00 C ATOM 1751 C ILE A 108 4.210 -4.508 -3.411 1.00 0.00 C ATOM 1752 O ILE A 108 3.347 -4.938 -4.172 1.00 0.00 O ATOM 1753 CB ILE A 108 3.208 -2.740 -1.884 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.146 -1.218 -1.608 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.676 -3.510 -0.643 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.473 -0.826 -0.292 1.00 0.00 C ATOM 0 H ILE A 108 3.001 -2.545 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 108 5.183 -2.731 -2.676 1.00 0.00 H new ATOM 0 HB ILE A 108 2.204 -3.069 -2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.161 -0.822 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.613 -0.737 -2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.990 -3.321 0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.695 -4.577 -0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.677 -3.179 -0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.479 0.259 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.444 -1.186 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.016 -1.272 0.541 1.00 0.00 H new ATOM 1768 N GLY A 109 5.136 -5.293 -2.860 1.00 0.00 N ATOM 1769 CA GLY A 109 5.149 -6.754 -2.944 1.00 0.00 C ATOM 1770 C GLY A 109 5.315 -7.406 -1.574 1.00 0.00 C ATOM 1771 O GLY A 109 6.224 -7.069 -0.811 1.00 0.00 O ATOM 0 H GLY A 109 5.921 -4.919 -2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 109 4.221 -7.099 -3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.962 -7.072 -3.597 1.00 0.00 H new ATOM 1775 N PHE A 110 4.435 -8.351 -1.258 1.00 0.00 N ATOM 1776 CA PHE A 110 4.478 -9.113 -0.007 1.00 0.00 C ATOM 1777 C PHE A 110 5.221 -10.446 -0.141 1.00 0.00 C ATOM 1778 O PHE A 110 5.354 -11.015 -1.228 1.00 0.00 O ATOM 1779 CB PHE A 110 3.057 -9.322 0.517 1.00 0.00 C ATOM 1780 CG PHE A 110 2.455 -8.088 1.162 1.00 0.00 C ATOM 1781 CD1 PHE A 110 2.360 -8.020 2.564 1.00 0.00 C ATOM 1782 CD2 PHE A 110 1.982 -7.015 0.378 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.754 -6.913 3.179 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.396 -5.896 0.995 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.280 -5.848 2.393 1.00 0.00 C ATOM 0 H PHE A 110 3.661 -8.615 -1.868 1.00 0.00 H new ATOM 0 HA PHE A 110 5.048 -8.527 0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.418 -9.638 -0.308 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.064 -10.134 1.244 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.755 -8.822 3.169 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.070 -7.053 -0.698 1.00 0.00 H new ATOM 0 HE1 PHE A 110 1.652 -6.880 4.254 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.035 -5.074 0.394 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.825 -4.990 2.866 1.00 0.00 H new ATOM 1795 N THR A 111 5.675 -10.962 1.003 1.00 0.00 N ATOM 1796 CA THR A 111 6.363 -12.258 1.111 1.00 0.00 C ATOM 1797 C THR A 111 5.405 -13.454 1.007 1.00 0.00 C ATOM 1798 O THR A 111 5.804 -14.554 0.620 1.00 0.00 O ATOM 1799 CB THR A 111 7.189 -12.273 2.402 1.00 0.00 C ATOM 1800 OG1 THR A 111 8.194 -13.263 2.341 1.00 0.00 O ATOM 1801 CG2 THR A 111 6.368 -12.494 3.673 1.00 0.00 C ATOM 0 H THR A 111 5.575 -10.485 1.899 1.00 0.00 H new ATOM 0 HA THR A 111 7.034 -12.370 0.259 1.00 0.00 H new ATOM 0 HB THR A 111 7.624 -11.275 2.467 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.711 -13.256 3.173 1.00 0.00 H new ATOM 0 HG21 THR A 111 7.030 -12.490 4.539 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.633 -11.696 3.775 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.855 -13.454 3.612 1.00 0.00 H new ATOM 1809 N ASP A 112 4.119 -13.224 1.295 1.00 0.00 N ATOM 1810 CA ASP A 112 3.031 -14.201 1.173 1.00 0.00 C ATOM 1811 C ASP A 112 1.789 -13.603 0.480 1.00 0.00 C ATOM 1812 O ASP A 112 1.384 -12.474 0.772 1.00 0.00 O ATOM 1813 CB ASP A 112 2.676 -14.753 2.565 1.00 0.00 C ATOM 1814 CG ASP A 112 1.970 -16.113 2.470 1.00 0.00 C ATOM 1815 OD1 ASP A 112 2.605 -17.154 2.764 1.00 0.00 O ATOM 1816 OD2 ASP A 112 0.781 -16.141 2.081 1.00 0.00 O ATOM 0 H ASP A 112 3.795 -12.318 1.632 1.00 0.00 H new ATOM 0 HA ASP A 112 3.377 -15.018 0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.584 -14.854 3.159 1.00 0.00 H new ATOM 0 HB3 ASP A 112 2.032 -14.044 3.085 1.00 0.00 H new ATOM 1821 N ARG A 113 1.145 -14.382 -0.400 1.00 0.00 N ATOM 1822 CA ARG A 113 -0.120 -14.022 -1.071 1.00 0.00 C ATOM 1823 C ARG A 113 -1.259 -13.778 -0.072 1.00 0.00 C ATOM 1824 O ARG A 113 -2.090 -12.907 -0.309 1.00 0.00 O ATOM 1825 CB ARG A 113 -0.451 -15.140 -2.084 1.00 0.00 C ATOM 1826 CG ARG A 113 -1.720 -14.966 -2.941 1.00 0.00 C ATOM 1827 CD ARG A 113 -1.769 -13.639 -3.716 1.00 0.00 C ATOM 1828 NE ARG A 113 -2.369 -13.784 -5.061 1.00 0.00 N ATOM 1829 CZ ARG A 113 -3.640 -13.949 -5.367 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -3.994 -14.137 -6.599 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -4.584 -13.921 -4.469 1.00 0.00 N ATOM 0 H ARG A 113 1.493 -15.301 -0.674 1.00 0.00 H new ATOM 0 HA ARG A 113 -0.003 -13.075 -1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.399 -15.247 -2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.541 -16.077 -1.534 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -1.785 -15.792 -3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -2.595 -15.031 -2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.343 -12.910 -3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.758 -13.243 -3.814 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.720 -13.752 -5.847 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -3.288 -14.158 -7.335 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.979 -14.264 -6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -4.350 -13.767 -3.488 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -5.556 -14.053 -4.747 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.271 -14.483 1.062 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.228 -14.289 2.156 1.00 0.00 C ATOM 1847 C GLY A 114 -1.981 -13.022 2.985 1.00 0.00 C ATOM 1848 O GLY A 114 -2.939 -12.388 3.428 1.00 0.00 O ATOM 0 H GLY A 114 -0.597 -15.225 1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.235 -14.248 1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.190 -15.156 2.816 1.00 0.00 H new ATOM 1852 N ASP A 115 -0.722 -12.592 3.142 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.388 -11.334 3.835 1.00 0.00 C ATOM 1854 C ASP A 115 -0.891 -10.118 3.042 1.00 0.00 C ATOM 1855 O ASP A 115 -1.470 -9.193 3.615 1.00 0.00 O ATOM 1856 CB ASP A 115 1.121 -11.233 4.109 1.00 0.00 C ATOM 1857 CG ASP A 115 1.630 -12.185 5.210 1.00 0.00 C ATOM 1858 OD1 ASP A 115 2.856 -12.434 5.254 1.00 0.00 O ATOM 1859 OD2 ASP A 115 0.832 -12.645 6.060 1.00 0.00 O ATOM 0 H ASP A 115 0.091 -13.101 2.796 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.898 -11.339 4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.661 -11.442 3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.359 -10.208 4.392 1.00 0.00 H new ATOM 1864 N ALA A 116 -0.758 -10.163 1.714 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.324 -9.163 0.815 1.00 0.00 C ATOM 1866 C ALA A 116 -2.853 -9.284 0.651 1.00 0.00 C ATOM 1867 O ALA A 116 -3.550 -8.270 0.620 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.606 -9.287 -0.524 1.00 0.00 C ATOM 0 H ALA A 116 -0.249 -10.903 1.231 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.169 -8.174 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.007 -8.551 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.460 -9.110 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.758 -10.288 -0.927 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.425 -10.492 0.626 1.00 0.00 N ATOM 1875 CA PHE A 117 -4.885 -10.656 0.620 1.00 0.00 C ATOM 1876 C PHE A 117 -5.538 -10.003 1.858 1.00 0.00 C ATOM 1877 O PHE A 117 -6.644 -9.469 1.763 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.241 -12.145 0.505 1.00 0.00 C ATOM 1879 CG PHE A 117 -6.701 -12.413 0.189 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.109 -12.634 -1.142 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.656 -12.450 1.225 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -8.461 -12.880 -1.436 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -9.010 -12.678 0.928 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.413 -12.884 -0.401 1.00 0.00 C ATOM 0 H PHE A 117 -2.903 -11.368 0.610 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.289 -10.138 -0.250 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.624 -12.596 -0.272 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.987 -12.641 1.442 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.380 -12.614 -1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.346 -12.303 2.249 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -8.768 -13.066 -2.455 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.741 -12.695 1.722 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.456 -13.046 -0.629 1.00 0.00 H new ATOM 1894 N ASP A 118 -4.835 -9.956 2.994 1.00 0.00 N ATOM 1895 CA ASP A 118 -5.293 -9.312 4.226 1.00 0.00 C ATOM 1896 C ASP A 118 -5.044 -7.790 4.238 1.00 0.00 C ATOM 1897 O ASP A 118 -5.822 -7.060 4.851 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.643 -10.018 5.422 1.00 0.00 C ATOM 1899 CG ASP A 118 -5.324 -9.669 6.754 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -6.561 -9.836 6.873 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -4.602 -9.289 7.706 1.00 0.00 O ATOM 0 H ASP A 118 -3.909 -10.375 3.083 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.376 -9.416 4.291 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.684 -11.096 5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.590 -9.743 5.473 1.00 0.00 H new ATOM 1906 N PHE A 119 -4.047 -7.282 3.493 1.00 0.00 N ATOM 1907 CA PHE A 119 -3.931 -5.853 3.172 1.00 0.00 C ATOM 1908 C PHE A 119 -5.186 -5.378 2.413 1.00 0.00 C ATOM 1909 O PHE A 119 -5.757 -4.338 2.742 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.625 -5.601 2.387 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.428 -4.211 1.796 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -3.109 -3.821 0.626 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -1.497 -3.326 2.360 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -2.896 -2.551 0.058 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -1.304 -2.048 1.817 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.004 -1.656 0.667 1.00 0.00 C ATOM 0 H PHE A 119 -3.300 -7.853 3.097 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.875 -5.266 4.088 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.786 -5.808 3.051 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.574 -6.325 1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.803 -4.505 0.159 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -0.923 -3.633 3.222 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -3.418 -2.266 -0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.614 -1.363 2.286 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.857 -0.670 0.252 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.677 -6.192 1.469 1.00 0.00 N ATOM 1927 CA ASN A 120 -6.964 -5.991 0.798 1.00 0.00 C ATOM 1928 C ASN A 120 -8.147 -6.067 1.782 1.00 0.00 C ATOM 1929 O ASN A 120 -8.904 -5.104 1.883 1.00 0.00 O ATOM 1930 CB ASN A 120 -7.062 -6.972 -0.388 1.00 0.00 C ATOM 1931 CG ASN A 120 -8.471 -7.409 -0.756 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -9.247 -6.698 -1.374 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.838 -8.616 -0.391 1.00 0.00 N ATOM 0 H ASN A 120 -5.181 -7.023 1.146 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.022 -4.980 0.395 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.604 -6.507 -1.261 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.474 -7.859 -0.154 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.770 -8.958 -0.624 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.191 -9.212 0.126 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.314 -7.160 2.540 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.505 -7.347 3.397 1.00 0.00 C ATOM 1942 C VAL A 121 -9.603 -6.297 4.509 1.00 0.00 C ATOM 1943 O VAL A 121 -10.708 -5.840 4.814 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.578 -8.779 3.974 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -10.679 -8.964 5.029 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -9.876 -9.795 2.865 1.00 0.00 C ATOM 0 H VAL A 121 -7.645 -7.929 2.581 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.370 -7.204 2.749 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.604 -8.941 4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.670 -9.993 5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.500 -8.287 5.864 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -11.650 -8.744 4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -9.923 -10.797 3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -10.831 -9.554 2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -9.086 -9.757 2.115 1.00 0.00 H new ATOM 1956 N SER A 122 -8.470 -5.840 5.053 1.00 0.00 N ATOM 1957 CA SER A 122 -8.412 -4.729 6.014 1.00 0.00 C ATOM 1958 C SER A 122 -9.074 -3.450 5.476 1.00 0.00 C ATOM 1959 O SER A 122 -9.709 -2.717 6.233 1.00 0.00 O ATOM 1960 CB SER A 122 -6.945 -4.448 6.360 1.00 0.00 C ATOM 1961 OG SER A 122 -6.837 -3.437 7.345 1.00 0.00 O ATOM 0 H SER A 122 -7.555 -6.235 4.837 1.00 0.00 H new ATOM 0 HA SER A 122 -8.968 -5.026 6.903 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.472 -5.362 6.719 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.408 -4.143 5.462 1.00 0.00 H new ATOM 0 HG SER A 122 -5.935 -3.054 7.323 1.00 0.00 H new ATOM 1967 N LEU A 123 -8.994 -3.214 4.160 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.598 -2.066 3.482 1.00 0.00 C ATOM 1969 C LEU A 123 -11.020 -2.362 2.983 1.00 0.00 C ATOM 1970 O LEU A 123 -11.888 -1.499 3.107 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.676 -1.619 2.341 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.277 -1.182 2.809 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -6.362 -1.053 1.600 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.303 0.146 3.569 1.00 0.00 C ATOM 0 H LEU A 123 -8.494 -3.834 3.523 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.702 -1.253 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.572 -2.437 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.146 -0.792 1.809 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.907 -1.944 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.369 -0.743 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -6.293 -2.015 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.767 -0.308 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.291 0.409 3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.700 0.928 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.937 0.048 4.451 1.00 0.00 H new ATOM 1986 N GLN A 124 -11.303 -3.581 2.502 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.669 -4.005 2.148 1.00 0.00 C ATOM 1988 C GLN A 124 -13.622 -3.804 3.334 1.00 0.00 C ATOM 1989 O GLN A 124 -14.620 -3.098 3.218 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.711 -5.486 1.714 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.930 -5.836 0.437 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.513 -5.288 -0.866 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -13.579 -4.689 -0.929 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -11.826 -5.493 -1.969 1.00 0.00 N ATOM 0 H GLN A 124 -10.596 -4.300 2.347 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.988 -3.386 1.310 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -12.324 -6.095 2.531 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -13.753 -5.772 1.569 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.911 -5.464 0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.867 -6.921 0.357 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.936 -5.991 -1.931 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.183 -5.154 -2.862 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.279 -4.347 4.507 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.094 -4.245 5.726 1.00 0.00 C ATOM 2005 C ASP A 125 -13.994 -2.875 6.424 1.00 0.00 C ATOM 2006 O ASP A 125 -14.756 -2.597 7.349 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.672 -5.374 6.677 1.00 0.00 C ATOM 2008 CG ASP A 125 -14.656 -5.590 7.834 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -15.838 -5.900 7.556 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -14.248 -5.505 9.017 1.00 0.00 O ATOM 0 H ASP A 125 -12.417 -4.876 4.640 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.141 -4.344 5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.578 -6.301 6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.687 -5.148 7.084 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.093 -1.995 5.971 1.00 0.00 N ATOM 2016 CA HIS A 126 -13.046 -0.594 6.410 1.00 0.00 C ATOM 2017 C HIS A 126 -14.008 0.281 5.601 1.00 0.00 C ATOM 2018 O HIS A 126 -14.703 1.112 6.179 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.614 -0.049 6.365 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.541 1.410 6.740 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -11.249 2.452 5.860 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.834 1.934 7.966 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -11.375 3.581 6.574 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.732 3.300 7.836 1.00 0.00 N ATOM 0 H HIS A 126 -12.374 -2.234 5.288 1.00 0.00 H new ATOM 0 HA HIS A 126 -13.378 -0.561 7.448 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -10.987 -0.627 7.043 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.208 -0.184 5.362 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -10.992 2.372 4.876 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -12.094 1.386 8.860 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -11.212 4.576 6.187 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -11.900 3.983 8.574 1.00 0.00 H new ATOM 2032 N PHE A 127 -14.116 0.062 4.285 1.00 0.00 N ATOM 2033 CA PHE A 127 -15.043 0.811 3.433 1.00 0.00 C ATOM 2034 C PHE A 127 -16.454 0.199 3.344 1.00 0.00 C ATOM 2035 O PHE A 127 -17.386 0.916 2.972 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.393 1.110 2.074 1.00 0.00 C ATOM 2037 CG PHE A 127 -13.335 2.199 2.182 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -13.720 3.555 2.217 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -11.979 1.862 2.339 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -12.757 4.556 2.439 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -11.012 2.862 2.534 1.00 0.00 C ATOM 2042 CZ PHE A 127 -11.403 4.211 2.596 1.00 0.00 C ATOM 0 H PHE A 127 -13.566 -0.636 3.784 1.00 0.00 H new ATOM 0 HA PHE A 127 -15.231 1.769 3.918 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -13.940 0.200 1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -15.160 1.418 1.364 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -14.756 3.825 2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -11.678 0.825 2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -13.058 5.592 2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.970 2.595 2.636 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.665 4.981 2.764 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.665 -1.068 3.749 1.00 0.00 N ATOM 2053 CA LYS A 128 -17.978 -1.750 3.651 1.00 0.00 C ATOM 2054 C LYS A 128 -19.119 -1.065 4.417 1.00 0.00 C ATOM 2055 O LYS A 128 -20.278 -1.205 4.026 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.864 -3.257 3.978 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.725 -3.643 5.462 1.00 0.00 C ATOM 2058 CD LYS A 128 -19.080 -3.903 6.130 1.00 0.00 C ATOM 2059 CE LYS A 128 -19.006 -4.088 7.650 1.00 0.00 C ATOM 2060 NZ LYS A 128 -18.490 -5.423 8.040 1.00 0.00 N ATOM 0 H LYS A 128 -15.933 -1.651 4.154 1.00 0.00 H new ATOM 0 HA LYS A 128 -18.269 -1.658 2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -18.746 -3.758 3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -17.002 -3.655 3.442 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -17.105 -4.536 5.545 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -17.208 -2.845 5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -19.747 -3.070 5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -19.525 -4.794 5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.364 -3.317 8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.999 -3.948 8.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -18.825 -5.659 8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.833 -6.138 7.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.450 -5.409 8.031 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.806 -0.335 5.492 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.781 0.331 6.374 1.00 0.00 C ATOM 2076 C TRP A 129 -19.890 1.858 6.157 1.00 0.00 C ATOM 2077 O TRP A 129 -20.615 2.541 6.884 1.00 0.00 O ATOM 2078 CB TRP A 129 -19.484 -0.081 7.827 1.00 0.00 C ATOM 2079 CG TRP A 129 -18.091 0.195 8.308 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -17.047 -0.664 8.271 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.556 1.435 8.861 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.913 -0.039 8.742 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -16.156 1.275 9.085 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -18.113 2.697 9.148 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -15.343 2.330 9.527 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -17.309 3.764 9.599 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.923 3.588 9.768 1.00 0.00 C ATOM 0 H TRP A 129 -17.841 -0.184 5.785 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.782 -0.011 6.112 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -20.184 0.436 8.483 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.680 -1.148 7.930 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -17.095 -1.686 7.925 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -15.004 -0.493 8.827 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -19.174 2.850 9.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -14.285 2.178 9.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.759 4.721 9.816 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -15.306 4.417 10.082 1.00 0.00 H new ATOM 2098 N VAL A 130 -19.200 2.398 5.144 1.00 0.00 N ATOM 2099 CA VAL A 130 -19.124 3.835 4.789 1.00 0.00 C ATOM 2100 C VAL A 130 -19.313 4.041 3.271 1.00 0.00 C ATOM 2101 O VAL A 130 -19.836 3.162 2.580 1.00 0.00 O ATOM 2102 CB VAL A 130 -17.839 4.500 5.372 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -18.215 5.353 6.587 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.723 3.544 5.782 1.00 0.00 C ATOM 0 H VAL A 130 -18.647 1.819 4.511 1.00 0.00 H new ATOM 0 HA VAL A 130 -19.955 4.359 5.262 1.00 0.00 H new ATOM 0 HB VAL A 130 -17.436 5.092 4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -17.318 5.819 6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -18.920 6.127 6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -18.675 4.721 7.347 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.880 4.115 6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -17.090 2.865 6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.400 2.968 4.915 1.00 0.00 H new