USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 696 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 55 SER OG : rot 149:sc= 1.12 USER MOD Set 1.2: A 99 HIS : no HE2:sc= -3.5! C(o=-2.4!,f=-6!) USER MOD Set 2.1: A 58 TYR OH : rot 125:sc= 0.0173 USER MOD Set 2.2: A 69 HIS : no HD1:sc= 0.0237 X(o=0.041,f=-0.012) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.199 K(o=-0.2,f=-2.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 145:sc= -3.93! USER MOD Single : A 29 SER OG : rot 44:sc= 1.07 USER MOD Single : A 30 MET CE :methyl 145:sc= -0.976 (180deg=-4.86!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.847 F(o=-1.8,f=-0.85) USER MOD Single : A 52 THR OG1 : rot -16:sc= 0.191 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.028) USER MOD Single : A 79 SER OG : rot -69:sc= 0.245 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0.0467 USER MOD Single : A 100 THR OG1 : rot 38:sc= 0.556 USER MOD Single : A 108 SER OG : rot -50:sc= -1.07 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -119:sc= 0.195 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 6.896 -12.340 -6.397 1.00 0.00 N ATOM 215 CA PRO A 18 5.892 -12.886 -5.480 1.00 0.00 C ATOM 216 C PRO A 18 4.479 -12.800 -6.048 1.00 0.00 C ATOM 217 O PRO A 18 4.227 -12.064 -7.002 1.00 0.00 O ATOM 218 CB PRO A 18 6.024 -11.999 -4.240 1.00 0.00 C ATOM 219 CG PRO A 18 6.578 -10.714 -4.751 1.00 0.00 C ATOM 220 CD PRO A 18 7.473 -11.078 -5.904 1.00 0.00 C ATOM 0 HA PRO A 18 6.055 -13.946 -5.283 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.059 -11.849 -3.756 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.686 -12.449 -3.500 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.780 -10.045 -5.073 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.136 -10.193 -3.973 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.470 -10.307 -6.674 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.507 -11.206 -5.585 1.00 0.00 H new ATOM 228 N SER A 19 3.561 -13.557 -5.456 1.00 0.00 N ATOM 229 CA SER A 19 2.174 -13.569 -5.906 1.00 0.00 C ATOM 230 C SER A 19 1.272 -12.854 -4.904 1.00 0.00 C ATOM 231 O SER A 19 0.747 -11.776 -5.184 1.00 0.00 O ATOM 232 CB SER A 19 1.693 -15.007 -6.106 1.00 0.00 C ATOM 233 OG SER A 19 0.709 -15.079 -7.124 1.00 0.00 O ATOM 0 H SER A 19 3.753 -14.170 -4.664 1.00 0.00 H new ATOM 0 HA SER A 19 2.122 -13.040 -6.858 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.538 -15.643 -6.367 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.283 -15.390 -5.172 1.00 0.00 H new ATOM 0 HG SER A 19 0.419 -16.009 -7.234 1.00 0.00 H new ATOM 239 N ALA A 20 1.097 -13.462 -3.735 1.00 0.00 N ATOM 240 CA ALA A 20 0.261 -12.883 -2.691 1.00 0.00 C ATOM 241 C ALA A 20 0.841 -11.564 -2.191 1.00 0.00 C ATOM 242 O ALA A 20 0.240 -10.500 -2.336 1.00 0.00 O ATOM 243 CB ALA A 20 0.103 -13.864 -1.538 1.00 0.00 C ATOM 0 H ALA A 20 1.523 -14.355 -3.488 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.721 -12.679 -3.117 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.524 -13.419 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.364 -14.780 -1.901 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.083 -14.097 -1.121 1.00 0.00 H new ATOM 249 N PRO A 21 2.036 -11.634 -1.587 1.00 0.00 N ATOM 250 CA PRO A 21 2.723 -10.454 -1.053 1.00 0.00 C ATOM 251 C PRO A 21 3.224 -9.527 -2.155 1.00 0.00 C ATOM 252 O PRO A 21 3.682 -9.968 -3.209 1.00 0.00 O ATOM 253 CB PRO A 21 3.901 -11.050 -0.278 1.00 0.00 C ATOM 254 CG PRO A 21 4.153 -12.368 -0.925 1.00 0.00 C ATOM 255 CD PRO A 21 2.810 -12.870 -1.379 1.00 0.00 C ATOM 0 HA PRO A 21 2.062 -9.838 -0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.779 -10.406 -0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.661 -11.167 0.779 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.836 -12.265 -1.768 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.614 -13.065 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.888 -13.454 -2.296 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.347 -13.513 -0.630 1.00 0.00 H new ATOM 263 N PRO A 22 3.138 -8.212 -1.907 1.00 0.00 N ATOM 264 CA PRO A 22 2.594 -7.675 -0.656 1.00 0.00 C ATOM 265 C PRO A 22 1.090 -7.897 -0.536 1.00 0.00 C ATOM 266 O PRO A 22 0.365 -7.843 -1.529 1.00 0.00 O ATOM 267 CB PRO A 22 2.908 -6.180 -0.744 1.00 0.00 C ATOM 268 CG PRO A 22 3.004 -5.899 -2.204 1.00 0.00 C ATOM 269 CD PRO A 22 3.563 -7.146 -2.831 1.00 0.00 C ATOM 0 HA PRO A 22 3.025 -8.164 0.218 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.125 -5.583 -0.276 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.840 -5.940 -0.232 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.026 -5.658 -2.620 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.651 -5.043 -2.395 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.168 -7.303 -3.835 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.648 -7.100 -2.919 1.00 0.00 H new ATOM 277 N GLN A 23 0.629 -8.145 0.686 1.00 0.00 N ATOM 278 CA GLN A 23 -0.790 -8.375 0.934 1.00 0.00 C ATOM 279 C GLN A 23 -1.231 -7.703 2.230 1.00 0.00 C ATOM 280 O GLN A 23 -0.403 -7.321 3.057 1.00 0.00 O ATOM 281 CB GLN A 23 -1.081 -9.875 0.999 1.00 0.00 C ATOM 282 CG GLN A 23 0.033 -10.684 1.643 1.00 0.00 C ATOM 283 CD GLN A 23 -0.404 -12.087 2.015 1.00 0.00 C ATOM 284 OE1 GLN A 23 -1.584 -12.336 2.265 1.00 0.00 O ATOM 285 NE2 GLN A 23 0.547 -13.013 2.055 1.00 0.00 N ATOM 0 H GLN A 23 1.216 -8.192 1.519 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.353 -7.938 0.109 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.003 -10.034 1.558 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.252 -10.247 -0.011 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.878 -10.741 0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.382 -10.167 2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.512 -12.762 1.840 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.312 -13.975 2.300 1.00 0.00 H new ATOM 294 N LYS A 24 -2.541 -7.560 2.400 1.00 0.00 N ATOM 295 CA LYS A 24 -3.094 -6.934 3.595 1.00 0.00 C ATOM 296 C LYS A 24 -2.585 -5.505 3.747 1.00 0.00 C ATOM 297 O LYS A 24 -2.315 -5.045 4.856 1.00 0.00 O ATOM 298 CB LYS A 24 -2.731 -7.751 4.838 1.00 0.00 C ATOM 299 CG LYS A 24 -2.847 -9.251 4.635 1.00 0.00 C ATOM 300 CD LYS A 24 -2.420 -10.017 5.876 1.00 0.00 C ATOM 301 CE LYS A 24 -2.034 -11.450 5.542 1.00 0.00 C ATOM 302 NZ LYS A 24 -3.209 -12.364 5.584 1.00 0.00 N ATOM 0 H LYS A 24 -3.240 -7.869 1.725 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.179 -6.905 3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.710 -7.511 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.381 -7.453 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.877 -9.507 4.385 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.229 -9.553 3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.575 -9.511 6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.233 -10.018 6.602 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.583 -11.483 4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.279 -11.797 6.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.905 -13.331 5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.624 -12.352 6.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.919 -12.048 4.893 1.00 0.00 H new ATOM 316 N VAL A 25 -2.456 -4.805 2.624 1.00 0.00 N ATOM 317 CA VAL A 25 -1.981 -3.426 2.632 1.00 0.00 C ATOM 318 C VAL A 25 -3.039 -2.484 3.195 1.00 0.00 C ATOM 319 O VAL A 25 -4.099 -2.297 2.599 1.00 0.00 O ATOM 320 CB VAL A 25 -1.594 -2.958 1.217 1.00 0.00 C ATOM 321 CG1 VAL A 25 -1.172 -1.497 1.235 1.00 0.00 C ATOM 322 CG2 VAL A 25 -0.486 -3.834 0.651 1.00 0.00 C ATOM 0 H VAL A 25 -2.674 -5.170 1.697 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.098 -3.399 3.270 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.467 -3.052 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.902 -1.184 0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.998 -0.884 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.313 -1.374 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.225 -3.489 -0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.391 -3.774 1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.829 -4.867 0.601 1.00 0.00 H new ATOM 332 N MET A 26 -2.743 -1.892 4.348 1.00 0.00 N ATOM 333 CA MET A 26 -3.669 -0.967 4.992 1.00 0.00 C ATOM 334 C MET A 26 -3.081 0.439 5.047 1.00 0.00 C ATOM 335 O MET A 26 -2.023 0.657 5.639 1.00 0.00 O ATOM 336 CB MET A 26 -4.004 -1.449 6.404 1.00 0.00 C ATOM 337 CG MET A 26 -4.599 -2.847 6.445 1.00 0.00 C ATOM 338 SD MET A 26 -4.778 -3.477 8.125 1.00 0.00 S ATOM 339 CE MET A 26 -3.811 -4.982 8.027 1.00 0.00 C ATOM 0 H MET A 26 -1.870 -2.036 4.855 1.00 0.00 H new ATOM 0 HA MET A 26 -4.584 -0.936 4.401 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.098 -1.431 7.009 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.706 -0.751 6.860 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.575 -2.837 5.959 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.965 -3.524 5.873 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.825 -5.487 8.993 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.236 -5.639 7.268 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.783 -4.737 7.761 1.00 0.00 H new ATOM 349 N CYS A 27 -3.772 1.389 4.427 1.00 0.00 N ATOM 350 CA CYS A 27 -3.317 2.775 4.406 1.00 0.00 C ATOM 351 C CYS A 27 -4.240 3.663 5.233 1.00 0.00 C ATOM 352 O CYS A 27 -5.459 3.492 5.222 1.00 0.00 O ATOM 353 CB CYS A 27 -3.250 3.289 2.967 1.00 0.00 C ATOM 354 SG CYS A 27 -2.389 2.181 1.826 1.00 0.00 S ATOM 0 H CYS A 27 -4.649 1.225 3.932 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.320 2.811 4.844 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.265 3.451 2.603 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.751 4.258 2.962 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.957 2.235 0.658 1.00 0.00 H new ATOM 360 N VAL A 28 -3.650 4.612 5.953 1.00 0.00 N ATOM 361 CA VAL A 28 -4.419 5.527 6.788 1.00 0.00 C ATOM 362 C VAL A 28 -3.870 6.947 6.699 1.00 0.00 C ATOM 363 O VAL A 28 -2.699 7.151 6.378 1.00 0.00 O ATOM 364 CB VAL A 28 -4.416 5.080 8.262 1.00 0.00 C ATOM 365 CG1 VAL A 28 -3.088 4.430 8.620 1.00 0.00 C ATOM 366 CG2 VAL A 28 -4.706 6.259 9.177 1.00 0.00 C ATOM 0 H VAL A 28 -2.642 4.767 5.975 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.442 5.512 6.413 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.204 4.340 8.401 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.104 4.121 9.665 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.927 3.558 7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.280 5.145 8.466 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.700 5.925 10.214 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.942 7.024 9.038 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.684 6.675 8.936 1.00 0.00 H new ATOM 376 N SER A 29 -4.723 7.925 6.984 1.00 0.00 N ATOM 377 CA SER A 29 -4.324 9.326 6.932 1.00 0.00 C ATOM 378 C SER A 29 -3.702 9.763 8.256 1.00 0.00 C ATOM 379 O SER A 29 -4.408 10.021 9.230 1.00 0.00 O ATOM 380 CB SER A 29 -5.529 10.210 6.606 1.00 0.00 C ATOM 381 OG SER A 29 -6.487 10.171 7.649 1.00 0.00 O ATOM 0 H SER A 29 -5.695 7.773 7.253 1.00 0.00 H new ATOM 0 HA SER A 29 -3.578 9.437 6.145 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.199 11.237 6.449 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.987 9.877 5.675 1.00 0.00 H new ATOM 0 HG SER A 29 -6.031 10.234 8.514 1.00 0.00 H new ATOM 387 N MET A 30 -2.376 9.843 8.281 1.00 0.00 N ATOM 388 CA MET A 30 -1.658 10.250 9.483 1.00 0.00 C ATOM 389 C MET A 30 -2.172 11.592 9.996 1.00 0.00 C ATOM 390 O MET A 30 -2.208 11.834 11.201 1.00 0.00 O ATOM 391 CB MET A 30 -0.157 10.340 9.202 1.00 0.00 C ATOM 392 CG MET A 30 0.546 8.992 9.217 1.00 0.00 C ATOM 393 SD MET A 30 1.065 8.498 10.871 1.00 0.00 S ATOM 394 CE MET A 30 -0.266 7.388 11.326 1.00 0.00 C ATOM 0 H MET A 30 -1.777 9.631 7.483 1.00 0.00 H new ATOM 0 HA MET A 30 -1.832 9.496 10.251 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.005 10.809 8.230 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.305 10.990 9.945 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.122 8.234 8.808 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.418 9.034 8.564 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.130 6.575 11.935 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.017 7.935 11.896 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.722 6.978 10.425 1.00 0.00 H new ATOM 404 N GLY A 31 -2.568 12.461 9.071 1.00 0.00 N ATOM 405 CA GLY A 31 -3.074 13.767 9.450 1.00 0.00 C ATOM 406 C GLY A 31 -3.869 14.425 8.339 1.00 0.00 C ATOM 407 O GLY A 31 -4.914 13.919 7.930 1.00 0.00 O ATOM 0 H GLY A 31 -2.547 12.284 8.067 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.704 13.667 10.334 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.239 14.411 9.726 1.00 0.00 H new ATOM 411 N SER A 32 -3.374 15.558 7.850 1.00 0.00 N ATOM 412 CA SER A 32 -4.048 16.289 6.784 1.00 0.00 C ATOM 413 C SER A 32 -3.251 16.213 5.485 1.00 0.00 C ATOM 414 O SER A 32 -3.820 16.094 4.399 1.00 0.00 O ATOM 415 CB SER A 32 -4.248 17.752 7.187 1.00 0.00 C ATOM 416 OG SER A 32 -3.005 18.396 7.404 1.00 0.00 O ATOM 0 H SER A 32 -2.509 15.989 8.175 1.00 0.00 H new ATOM 0 HA SER A 32 -5.022 15.828 6.621 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.801 18.275 6.407 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.851 17.803 8.094 1.00 0.00 H new ATOM 0 HG SER A 32 -3.160 19.330 7.659 1.00 0.00 H new ATOM 422 N THR A 33 -1.929 16.282 5.604 1.00 0.00 N ATOM 423 CA THR A 33 -1.053 16.222 4.441 1.00 0.00 C ATOM 424 C THR A 33 -0.049 15.081 4.567 1.00 0.00 C ATOM 425 O THR A 33 0.978 15.066 3.888 1.00 0.00 O ATOM 426 CB THR A 33 -0.288 17.544 4.244 1.00 0.00 C ATOM 427 OG1 THR A 33 0.431 17.876 5.437 1.00 0.00 O ATOM 428 CG2 THR A 33 -1.244 18.674 3.892 1.00 0.00 C ATOM 0 H THR A 33 -1.441 16.380 6.495 1.00 0.00 H new ATOM 0 HA THR A 33 -1.691 16.048 3.574 1.00 0.00 H new ATOM 0 HB THR A 33 0.415 17.413 3.421 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.916 18.717 5.303 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.681 19.598 3.758 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.770 18.431 2.968 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.967 18.803 4.698 1.00 0.00 H new ATOM 436 N THR A 34 -0.352 14.126 5.441 1.00 0.00 N ATOM 437 CA THR A 34 0.524 12.982 5.656 1.00 0.00 C ATOM 438 C THR A 34 -0.269 11.680 5.691 1.00 0.00 C ATOM 439 O THR A 34 -1.346 11.614 6.285 1.00 0.00 O ATOM 440 CB THR A 34 1.318 13.121 6.969 1.00 0.00 C ATOM 441 OG1 THR A 34 2.150 14.285 6.917 1.00 0.00 O ATOM 442 CG2 THR A 34 2.175 11.889 7.217 1.00 0.00 C ATOM 0 H THR A 34 -1.198 14.123 6.011 1.00 0.00 H new ATOM 0 HA THR A 34 1.221 12.957 4.819 1.00 0.00 H new ATOM 0 HB THR A 34 0.607 13.220 7.789 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.650 14.367 7.756 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.726 12.011 8.150 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.536 11.009 7.286 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.878 11.763 6.394 1.00 0.00 H new ATOM 450 N VAL A 35 0.269 10.647 5.052 1.00 0.00 N ATOM 451 CA VAL A 35 -0.388 9.346 5.011 1.00 0.00 C ATOM 452 C VAL A 35 0.568 8.234 5.426 1.00 0.00 C ATOM 453 O VAL A 35 1.764 8.289 5.138 1.00 0.00 O ATOM 454 CB VAL A 35 -0.937 9.038 3.605 1.00 0.00 C ATOM 455 CG1 VAL A 35 -1.522 7.635 3.556 1.00 0.00 C ATOM 456 CG2 VAL A 35 -1.977 10.073 3.201 1.00 0.00 C ATOM 0 H VAL A 35 1.159 10.686 4.555 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.218 9.389 5.716 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.113 9.087 2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.905 7.435 2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.747 6.909 3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.334 7.554 4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.354 9.840 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.801 10.058 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.521 11.063 3.194 1.00 0.00 H new ATOM 466 N ARG A 36 0.033 7.224 6.105 1.00 0.00 N ATOM 467 CA ARG A 36 0.840 6.098 6.561 1.00 0.00 C ATOM 468 C ARG A 36 0.318 4.786 5.983 1.00 0.00 C ATOM 469 O ARG A 36 -0.768 4.328 6.337 1.00 0.00 O ATOM 470 CB ARG A 36 0.840 6.030 8.089 1.00 0.00 C ATOM 471 CG ARG A 36 1.467 4.760 8.642 1.00 0.00 C ATOM 472 CD ARG A 36 1.245 4.636 10.141 1.00 0.00 C ATOM 473 NE ARG A 36 -0.156 4.388 10.469 1.00 0.00 N ATOM 474 CZ ARG A 36 -0.554 3.775 11.578 1.00 0.00 C ATOM 475 NH1 ARG A 36 0.338 3.350 12.461 1.00 0.00 N ATOM 476 NH2 ARG A 36 -1.848 3.587 11.805 1.00 0.00 N ATOM 0 H ARG A 36 -0.955 7.162 6.351 1.00 0.00 H new ATOM 0 HA ARG A 36 1.861 6.249 6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.378 6.892 8.483 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.187 6.104 8.448 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.041 3.893 8.137 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.536 4.759 8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.858 3.824 10.532 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.576 5.551 10.633 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.868 4.703 9.810 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.333 3.493 12.290 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.029 2.880 13.312 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.537 3.913 11.128 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.153 3.116 12.657 1.00 0.00 H new ATOM 490 N VAL A 37 1.099 4.187 5.089 1.00 0.00 N ATOM 491 CA VAL A 37 0.717 2.928 4.462 1.00 0.00 C ATOM 492 C VAL A 37 1.612 1.786 4.930 1.00 0.00 C ATOM 493 O VAL A 37 2.838 1.871 4.847 1.00 0.00 O ATOM 494 CB VAL A 37 0.785 3.022 2.926 1.00 0.00 C ATOM 495 CG1 VAL A 37 2.057 3.733 2.491 1.00 0.00 C ATOM 496 CG2 VAL A 37 0.698 1.638 2.303 1.00 0.00 C ATOM 0 H VAL A 37 2.000 4.554 4.783 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.311 2.726 4.761 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.067 3.606 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.088 3.790 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.072 4.740 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.924 3.179 2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.748 1.724 1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.528 1.027 2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.244 1.170 2.587 1.00 0.00 H new ATOM 506 N SER A 38 0.992 0.718 5.422 1.00 0.00 N ATOM 507 CA SER A 38 1.733 -0.440 5.907 1.00 0.00 C ATOM 508 C SER A 38 1.174 -1.730 5.314 1.00 0.00 C ATOM 509 O SER A 38 0.017 -1.783 4.896 1.00 0.00 O ATOM 510 CB SER A 38 1.681 -0.503 7.434 1.00 0.00 C ATOM 511 OG SER A 38 0.343 -0.559 7.897 1.00 0.00 O ATOM 0 H SER A 38 -0.022 0.631 5.495 1.00 0.00 H new ATOM 0 HA SER A 38 2.771 -0.335 5.590 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.227 -1.379 7.784 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.178 0.371 7.854 1.00 0.00 H new ATOM 0 HG SER A 38 0.337 -0.600 8.876 1.00 0.00 H new ATOM 517 N TRP A 39 2.003 -2.767 5.281 1.00 0.00 N ATOM 518 CA TRP A 39 1.592 -4.057 4.740 1.00 0.00 C ATOM 519 C TRP A 39 2.070 -5.199 5.631 1.00 0.00 C ATOM 520 O TRP A 39 2.864 -4.992 6.548 1.00 0.00 O ATOM 521 CB TRP A 39 2.140 -4.237 3.323 1.00 0.00 C ATOM 522 CG TRP A 39 3.550 -3.753 3.166 1.00 0.00 C ATOM 523 CD1 TRP A 39 4.675 -4.522 3.083 1.00 0.00 C ATOM 524 CD2 TRP A 39 3.983 -2.392 3.074 1.00 0.00 C ATOM 525 NE1 TRP A 39 5.783 -3.720 2.945 1.00 0.00 N ATOM 526 CE2 TRP A 39 5.385 -2.410 2.936 1.00 0.00 C ATOM 527 CE3 TRP A 39 3.324 -1.160 3.092 1.00 0.00 C ATOM 528 CZ2 TRP A 39 6.136 -1.243 2.819 1.00 0.00 C ATOM 529 CZ3 TRP A 39 4.071 -0.003 2.977 1.00 0.00 C ATOM 530 CH2 TRP A 39 5.465 -0.051 2.841 1.00 0.00 C ATOM 0 H TRP A 39 2.964 -2.740 5.622 1.00 0.00 H new ATOM 0 HA TRP A 39 0.503 -4.078 4.707 1.00 0.00 H new ATOM 0 HB2 TRP A 39 2.094 -5.292 3.054 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.499 -3.701 2.622 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.692 -5.601 3.120 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.745 -4.048 2.863 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.250 -1.113 3.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.210 -1.278 2.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.572 0.955 2.992 1.00 0.00 H new ATOM 0 HH2 TRP A 39 6.020 0.871 2.752 1.00 0.00 H new ATOM 541 N VAL A 40 1.580 -6.403 5.356 1.00 0.00 N ATOM 542 CA VAL A 40 1.958 -7.578 6.132 1.00 0.00 C ATOM 543 C VAL A 40 3.250 -8.192 5.605 1.00 0.00 C ATOM 544 O VAL A 40 3.375 -8.520 4.425 1.00 0.00 O ATOM 545 CB VAL A 40 0.849 -8.646 6.111 1.00 0.00 C ATOM 546 CG1 VAL A 40 0.706 -9.240 4.718 1.00 0.00 C ATOM 547 CG2 VAL A 40 1.136 -9.733 7.136 1.00 0.00 C ATOM 0 H VAL A 40 0.920 -6.591 4.601 1.00 0.00 H new ATOM 0 HA VAL A 40 2.110 -7.244 7.158 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.095 -8.169 6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.082 -9.993 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.450 -8.451 4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.647 -9.702 4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.342 -10.479 7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.089 -10.208 6.905 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.183 -9.291 8.131 1.00 0.00 H new ATOM 656 N ASN A 48 7.021 -16.684 -1.086 1.00 0.00 N ATOM 657 CA ASN A 48 7.587 -17.027 -2.386 1.00 0.00 C ATOM 658 C ASN A 48 8.274 -15.820 -3.016 1.00 0.00 C ATOM 659 O ASN A 48 7.878 -15.353 -4.083 1.00 0.00 O ATOM 660 CB ASN A 48 6.493 -17.549 -3.320 1.00 0.00 C ATOM 661 CG ASN A 48 5.529 -16.459 -3.747 1.00 0.00 C ATOM 662 OD1 ASN A 48 5.328 -16.326 -5.053 1.00 0.00 O flip ATOM 663 ND2 ASN A 48 4.971 -15.747 -2.913 1.00 0.00 N flip ATOM 0 HA ASN A 48 8.331 -17.809 -2.235 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.954 -17.990 -4.204 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.940 -18.344 -2.819 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.156 -15.885 -1.919 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.324 -15.019 -3.215 1.00 0.00 H new ATOM 670 N GLY A 49 9.309 -15.319 -2.347 1.00 0.00 N ATOM 671 CA GLY A 49 10.036 -14.171 -2.856 1.00 0.00 C ATOM 672 C GLY A 49 10.826 -13.460 -1.776 1.00 0.00 C ATOM 673 O GLY A 49 10.275 -13.073 -0.745 1.00 0.00 O ATOM 0 H GLY A 49 9.656 -15.688 -1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.715 -14.495 -3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.333 -13.471 -3.308 1.00 0.00 H new ATOM 677 N VAL A 50 12.124 -13.288 -2.010 1.00 0.00 N ATOM 678 CA VAL A 50 12.992 -12.619 -1.049 1.00 0.00 C ATOM 679 C VAL A 50 12.903 -11.104 -1.189 1.00 0.00 C ATOM 680 O VAL A 50 13.429 -10.527 -2.142 1.00 0.00 O ATOM 681 CB VAL A 50 14.460 -13.054 -1.221 1.00 0.00 C ATOM 682 CG1 VAL A 50 15.357 -12.303 -0.249 1.00 0.00 C ATOM 683 CG2 VAL A 50 14.595 -14.558 -1.031 1.00 0.00 C ATOM 0 H VAL A 50 12.597 -13.603 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 50 12.648 -12.910 -0.056 1.00 0.00 H new ATOM 0 HB VAL A 50 14.778 -12.808 -2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.390 -12.623 -0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.281 -11.232 -0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.043 -12.515 0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 50 15.638 -14.848 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 50 14.260 -14.830 -0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.984 -15.075 -1.771 1.00 0.00 H new ATOM 693 N ILE A 51 12.236 -10.465 -0.235 1.00 0.00 N ATOM 694 CA ILE A 51 12.080 -9.016 -0.251 1.00 0.00 C ATOM 695 C ILE A 51 13.427 -8.316 -0.111 1.00 0.00 C ATOM 696 O ILE A 51 14.160 -8.541 0.853 1.00 0.00 O ATOM 697 CB ILE A 51 11.146 -8.537 0.876 1.00 0.00 C ATOM 698 CG1 ILE A 51 9.852 -9.353 0.878 1.00 0.00 C ATOM 699 CG2 ILE A 51 10.843 -7.054 0.720 1.00 0.00 C ATOM 700 CD1 ILE A 51 9.036 -9.194 -0.386 1.00 0.00 C ATOM 0 H ILE A 51 11.795 -10.928 0.559 1.00 0.00 H new ATOM 0 HA ILE A 51 11.637 -8.758 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 51 11.649 -8.686 1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.097 -10.407 1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.245 -9.055 1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.182 -6.731 1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.772 -6.486 0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.357 -6.881 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.133 -9.801 -0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.761 -8.147 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.625 -9.520 -1.243 1.00 0.00 H new ATOM 712 N THR A 52 13.749 -7.464 -1.080 1.00 0.00 N ATOM 713 CA THR A 52 15.008 -6.730 -1.065 1.00 0.00 C ATOM 714 C THR A 52 14.769 -5.230 -0.928 1.00 0.00 C ATOM 715 O THR A 52 15.667 -4.483 -0.541 1.00 0.00 O ATOM 716 CB THR A 52 15.826 -6.992 -2.344 1.00 0.00 C ATOM 717 OG1 THR A 52 17.063 -6.274 -2.289 1.00 0.00 O ATOM 718 CG2 THR A 52 15.045 -6.575 -3.581 1.00 0.00 C ATOM 0 H THR A 52 13.155 -7.266 -1.885 1.00 0.00 H new ATOM 0 HA THR A 52 15.571 -7.086 -0.202 1.00 0.00 H new ATOM 0 HB THR A 52 16.030 -8.061 -2.407 1.00 0.00 H new ATOM 0 HG1 THR A 52 17.012 -5.588 -1.591 1.00 0.00 H new ATOM 0 HG21 THR A 52 15.643 -6.769 -4.471 1.00 0.00 H new ATOM 0 HG22 THR A 52 14.118 -7.145 -3.635 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.814 -5.511 -3.524 1.00 0.00 H new ATOM 726 N GLN A 53 13.553 -4.798 -1.246 1.00 0.00 N ATOM 727 CA GLN A 53 13.197 -3.387 -1.157 1.00 0.00 C ATOM 728 C GLN A 53 11.715 -3.179 -1.454 1.00 0.00 C ATOM 729 O GLN A 53 11.117 -3.925 -2.230 1.00 0.00 O ATOM 730 CB GLN A 53 14.044 -2.563 -2.129 1.00 0.00 C ATOM 731 CG GLN A 53 13.749 -2.856 -3.591 1.00 0.00 C ATOM 732 CD GLN A 53 14.669 -2.105 -4.533 1.00 0.00 C ATOM 733 OE1 GLN A 53 15.382 -2.708 -5.336 1.00 0.00 O ATOM 734 NE2 GLN A 53 14.658 -0.780 -4.441 1.00 0.00 N ATOM 0 H GLN A 53 12.798 -5.404 -1.567 1.00 0.00 H new ATOM 0 HA GLN A 53 13.395 -3.052 -0.139 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.874 -1.503 -1.938 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.099 -2.757 -1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.847 -3.927 -3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.715 -2.590 -3.810 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.052 -0.321 -3.761 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.256 -0.222 -5.050 1.00 0.00 H new ATOM 743 N TYR A 54 11.129 -2.163 -0.831 1.00 0.00 N ATOM 744 CA TYR A 54 9.716 -1.860 -1.026 1.00 0.00 C ATOM 745 C TYR A 54 9.540 -0.531 -1.755 1.00 0.00 C ATOM 746 O TYR A 54 10.286 0.421 -1.523 1.00 0.00 O ATOM 747 CB TYR A 54 8.992 -1.815 0.321 1.00 0.00 C ATOM 748 CG TYR A 54 8.613 -3.180 0.849 1.00 0.00 C ATOM 749 CD1 TYR A 54 7.498 -3.851 0.361 1.00 0.00 C ATOM 750 CD2 TYR A 54 9.368 -3.799 1.838 1.00 0.00 C ATOM 751 CE1 TYR A 54 7.147 -5.098 0.841 1.00 0.00 C ATOM 752 CE2 TYR A 54 9.025 -5.046 2.323 1.00 0.00 C ATOM 753 CZ TYR A 54 7.914 -5.691 1.822 1.00 0.00 C ATOM 754 OH TYR A 54 7.569 -6.933 2.304 1.00 0.00 O ATOM 0 H TYR A 54 11.610 -1.535 -0.187 1.00 0.00 H new ATOM 0 HA TYR A 54 9.282 -2.650 -1.638 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.630 -1.316 1.051 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.091 -1.210 0.220 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.895 -3.389 -0.407 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.238 -3.296 2.234 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.277 -5.605 0.450 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.624 -5.513 3.091 1.00 0.00 H new ATOM 0 HH TYR A 54 8.213 -7.208 2.990 1.00 0.00 H new ATOM 764 N SER A 55 8.548 -0.475 -2.637 1.00 0.00 N ATOM 765 CA SER A 55 8.274 0.736 -3.403 1.00 0.00 C ATOM 766 C SER A 55 6.866 1.249 -3.123 1.00 0.00 C ATOM 767 O SER A 55 5.888 0.511 -3.243 1.00 0.00 O ATOM 768 CB SER A 55 8.442 0.466 -4.900 1.00 0.00 C ATOM 769 OG SER A 55 9.773 0.717 -5.317 1.00 0.00 O ATOM 0 H SER A 55 7.921 -1.253 -2.839 1.00 0.00 H new ATOM 0 HA SER A 55 8.988 1.500 -3.096 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.178 -0.569 -5.118 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.755 1.096 -5.466 1.00 0.00 H new ATOM 0 HG SER A 55 10.001 0.121 -6.061 1.00 0.00 H new ATOM 775 N VAL A 56 6.770 2.521 -2.747 1.00 0.00 N ATOM 776 CA VAL A 56 5.482 3.136 -2.450 1.00 0.00 C ATOM 777 C VAL A 56 5.139 4.214 -3.472 1.00 0.00 C ATOM 778 O VAL A 56 6.021 4.905 -3.980 1.00 0.00 O ATOM 779 CB VAL A 56 5.468 3.756 -1.041 1.00 0.00 C ATOM 780 CG1 VAL A 56 4.094 4.326 -0.721 1.00 0.00 C ATOM 781 CG2 VAL A 56 5.882 2.726 -0.001 1.00 0.00 C ATOM 0 H VAL A 56 7.570 3.145 -2.641 1.00 0.00 H new ATOM 0 HA VAL A 56 4.735 2.344 -2.497 1.00 0.00 H new ATOM 0 HB VAL A 56 6.189 4.573 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.104 4.760 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.842 5.097 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.351 3.530 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.866 3.182 0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.188 1.886 -0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.889 2.371 -0.221 1.00 0.00 H new ATOM 791 N ALA A 57 3.850 4.353 -3.768 1.00 0.00 N ATOM 792 CA ALA A 57 3.390 5.349 -4.727 1.00 0.00 C ATOM 793 C ALA A 57 2.036 5.920 -4.318 1.00 0.00 C ATOM 794 O ALA A 57 1.233 5.241 -3.677 1.00 0.00 O ATOM 795 CB ALA A 57 3.310 4.743 -6.120 1.00 0.00 C ATOM 0 H ALA A 57 3.107 3.788 -3.357 1.00 0.00 H new ATOM 0 HA ALA A 57 4.111 6.166 -4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.965 5.498 -6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.296 4.389 -6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.611 3.907 -6.113 1.00 0.00 H new ATOM 801 N TYR A 58 1.790 7.170 -4.692 1.00 0.00 N ATOM 802 CA TYR A 58 0.534 7.834 -4.361 1.00 0.00 C ATOM 803 C TYR A 58 0.151 8.844 -5.438 1.00 0.00 C ATOM 804 O TYR A 58 1.006 9.548 -5.976 1.00 0.00 O ATOM 805 CB TYR A 58 0.644 8.534 -3.006 1.00 0.00 C ATOM 806 CG TYR A 58 1.818 9.482 -2.908 1.00 0.00 C ATOM 807 CD1 TYR A 58 3.088 9.016 -2.593 1.00 0.00 C ATOM 808 CD2 TYR A 58 1.656 10.844 -3.129 1.00 0.00 C ATOM 809 CE1 TYR A 58 4.163 9.879 -2.502 1.00 0.00 C ATOM 810 CE2 TYR A 58 2.725 11.714 -3.042 1.00 0.00 C ATOM 811 CZ TYR A 58 3.977 11.227 -2.727 1.00 0.00 C ATOM 812 OH TYR A 58 5.044 12.091 -2.638 1.00 0.00 O ATOM 0 H TYR A 58 2.443 7.745 -5.225 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.246 7.074 -4.307 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.276 9.087 -2.817 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.730 7.781 -2.223 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.238 7.961 -2.416 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.677 11.229 -3.373 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.144 9.500 -2.256 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.582 12.770 -3.220 1.00 0.00 H new ATOM 0 HH TYR A 58 5.124 12.599 -3.472 1.00 0.00 H new ATOM 822 N GLU A 59 -1.140 8.909 -5.747 1.00 0.00 N ATOM 823 CA GLU A 59 -1.637 9.833 -6.760 1.00 0.00 C ATOM 824 C GLU A 59 -3.074 10.249 -6.459 1.00 0.00 C ATOM 825 O GLU A 59 -3.955 9.405 -6.300 1.00 0.00 O ATOM 826 CB GLU A 59 -1.560 9.193 -8.148 1.00 0.00 C ATOM 827 CG GLU A 59 -1.807 10.171 -9.284 1.00 0.00 C ATOM 828 CD GLU A 59 -2.411 9.506 -10.505 1.00 0.00 C ATOM 829 OE1 GLU A 59 -3.521 8.946 -10.386 1.00 0.00 O ATOM 830 OE2 GLU A 59 -1.776 9.546 -11.579 1.00 0.00 O ATOM 0 H GLU A 59 -1.860 8.333 -5.311 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.008 10.723 -6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.576 8.741 -8.276 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.291 8.387 -8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.473 10.962 -8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.866 10.645 -9.561 1.00 0.00 H new ATOM 837 N ALA A 60 -3.301 11.556 -6.383 1.00 0.00 N ATOM 838 CA ALA A 60 -4.630 12.085 -6.102 1.00 0.00 C ATOM 839 C ALA A 60 -5.667 11.496 -7.053 1.00 0.00 C ATOM 840 O ALA A 60 -5.652 11.770 -8.253 1.00 0.00 O ATOM 841 CB ALA A 60 -4.626 13.604 -6.200 1.00 0.00 C ATOM 0 H ALA A 60 -2.582 12.268 -6.512 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.901 11.798 -5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.625 13.985 -5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.920 14.013 -5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.330 13.903 -7.205 1.00 0.00 H new ATOM 847 N VAL A 61 -6.568 10.683 -6.508 1.00 0.00 N ATOM 848 CA VAL A 61 -7.613 10.055 -7.308 1.00 0.00 C ATOM 849 C VAL A 61 -8.749 11.031 -7.592 1.00 0.00 C ATOM 850 O VAL A 61 -9.370 10.985 -8.654 1.00 0.00 O ATOM 851 CB VAL A 61 -8.185 8.809 -6.605 1.00 0.00 C ATOM 852 CG1 VAL A 61 -8.734 9.174 -5.234 1.00 0.00 C ATOM 853 CG2 VAL A 61 -9.260 8.160 -7.464 1.00 0.00 C ATOM 0 H VAL A 61 -6.595 10.444 -5.517 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.153 9.753 -8.249 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.379 8.089 -6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.134 8.281 -4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.934 9.590 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.528 9.913 -5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.653 7.281 -6.953 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.067 8.872 -7.636 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.830 7.861 -8.420 1.00 0.00 H new ATOM 863 N ASP A 62 -9.016 11.914 -6.636 1.00 0.00 N ATOM 864 CA ASP A 62 -10.077 12.904 -6.784 1.00 0.00 C ATOM 865 C ASP A 62 -9.575 14.297 -6.418 1.00 0.00 C ATOM 866 O ASP A 62 -10.299 15.091 -5.818 1.00 0.00 O ATOM 867 CB ASP A 62 -11.275 12.533 -5.907 1.00 0.00 C ATOM 868 CG ASP A 62 -12.590 13.009 -6.493 1.00 0.00 C ATOM 869 OD1 ASP A 62 -12.811 14.237 -6.536 1.00 0.00 O ATOM 870 OD2 ASP A 62 -13.398 12.152 -6.909 1.00 0.00 O ATOM 0 H ASP A 62 -8.513 11.965 -5.750 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.389 12.913 -7.828 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.308 11.451 -5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.144 12.967 -4.916 1.00 0.00 H new ATOM 875 N GLY A 63 -8.330 14.587 -6.784 1.00 0.00 N ATOM 876 CA GLY A 63 -7.753 15.885 -6.485 1.00 0.00 C ATOM 877 C GLY A 63 -7.558 16.732 -7.726 1.00 0.00 C ATOM 878 O GLY A 63 -7.852 16.293 -8.838 1.00 0.00 O ATOM 0 H GLY A 63 -7.711 13.947 -7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.400 16.414 -5.785 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.792 15.747 -5.989 1.00 0.00 H new ATOM 882 N GLU A 64 -7.063 17.952 -7.537 1.00 0.00 N ATOM 883 CA GLU A 64 -6.832 18.863 -8.651 1.00 0.00 C ATOM 884 C GLU A 64 -5.690 18.367 -9.533 1.00 0.00 C ATOM 885 O GLU A 64 -5.819 18.303 -10.756 1.00 0.00 O ATOM 886 CB GLU A 64 -6.518 20.268 -8.133 1.00 0.00 C ATOM 887 CG GLU A 64 -7.663 20.903 -7.362 1.00 0.00 C ATOM 888 CD GLU A 64 -7.537 22.411 -7.268 1.00 0.00 C ATOM 889 OE1 GLU A 64 -8.055 23.108 -8.165 1.00 0.00 O ATOM 890 OE2 GLU A 64 -6.920 22.895 -6.295 1.00 0.00 O ATOM 0 H GLU A 64 -6.815 18.331 -6.623 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.741 18.899 -9.251 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.640 20.221 -7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.260 20.908 -8.977 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.606 20.650 -7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.697 20.482 -6.357 1.00 0.00 H new ATOM 897 N ASP A 65 -4.574 18.018 -8.904 1.00 0.00 N ATOM 898 CA ASP A 65 -3.408 17.527 -9.630 1.00 0.00 C ATOM 899 C ASP A 65 -3.385 16.002 -9.653 1.00 0.00 C ATOM 900 O ASP A 65 -3.351 15.356 -8.605 1.00 0.00 O ATOM 901 CB ASP A 65 -2.123 18.059 -8.995 1.00 0.00 C ATOM 902 CG ASP A 65 -0.886 17.682 -9.786 1.00 0.00 C ATOM 903 OD1 ASP A 65 -0.922 17.789 -11.030 1.00 0.00 O ATOM 904 OD2 ASP A 65 0.117 17.279 -9.161 1.00 0.00 O ATOM 0 H ASP A 65 -4.451 18.066 -7.893 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.472 17.887 -10.657 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.183 19.144 -8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.034 17.670 -7.981 1.00 0.00 H new ATOM 909 N ARG A 66 -3.405 15.432 -10.854 1.00 0.00 N ATOM 910 CA ARG A 66 -3.389 13.983 -11.013 1.00 0.00 C ATOM 911 C ARG A 66 -1.958 13.464 -11.123 1.00 0.00 C ATOM 912 O ARG A 66 -1.707 12.431 -11.741 1.00 0.00 O ATOM 913 CB ARG A 66 -4.187 13.576 -12.252 1.00 0.00 C ATOM 914 CG ARG A 66 -5.692 13.595 -12.041 1.00 0.00 C ATOM 915 CD ARG A 66 -6.164 12.364 -11.283 1.00 0.00 C ATOM 916 NE ARG A 66 -7.560 12.479 -10.868 1.00 0.00 N ATOM 917 CZ ARG A 66 -8.587 12.165 -11.650 1.00 0.00 C ATOM 918 NH1 ARG A 66 -8.375 11.719 -12.881 1.00 0.00 N ATOM 919 NH2 ARG A 66 -9.828 12.296 -11.201 1.00 0.00 N ATOM 0 H ARG A 66 -3.432 15.952 -11.731 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.851 13.541 -10.130 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.935 14.248 -13.073 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.884 12.574 -12.556 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.972 14.493 -11.490 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.195 13.644 -13.007 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.044 11.482 -11.913 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.536 12.216 -10.405 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.757 12.819 -9.927 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.422 11.616 -13.229 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.165 11.479 -13.479 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.994 12.638 -10.255 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.616 12.055 -11.802 1.00 0.00 H new ATOM 933 N GLY A 67 -1.022 14.191 -10.518 1.00 0.00 N ATOM 934 CA GLY A 67 0.371 13.789 -10.561 1.00 0.00 C ATOM 935 C GLY A 67 0.687 12.685 -9.571 1.00 0.00 C ATOM 936 O GLY A 67 0.501 12.851 -8.366 1.00 0.00 O ATOM 0 H GLY A 67 -1.205 15.050 -10.000 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.618 13.452 -11.568 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.002 14.653 -10.351 1.00 0.00 H new ATOM 940 N ARG A 68 1.164 11.554 -10.081 1.00 0.00 N ATOM 941 CA ARG A 68 1.503 10.417 -9.233 1.00 0.00 C ATOM 942 C ARG A 68 2.964 10.480 -8.798 1.00 0.00 C ATOM 943 O ARG A 68 3.848 10.790 -9.597 1.00 0.00 O ATOM 944 CB ARG A 68 1.236 9.105 -9.973 1.00 0.00 C ATOM 945 CG ARG A 68 1.749 7.877 -9.239 1.00 0.00 C ATOM 946 CD ARG A 68 2.114 6.762 -10.207 1.00 0.00 C ATOM 947 NE ARG A 68 3.445 6.947 -10.778 1.00 0.00 N ATOM 948 CZ ARG A 68 3.667 7.529 -11.951 1.00 0.00 C ATOM 949 NH1 ARG A 68 2.651 7.980 -12.673 1.00 0.00 N ATOM 950 NH2 ARG A 68 4.907 7.661 -12.404 1.00 0.00 N ATOM 0 H ARG A 68 1.324 11.401 -11.077 1.00 0.00 H new ATOM 0 HA ARG A 68 0.875 10.459 -8.343 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.163 9.000 -10.134 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.703 9.151 -10.957 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.623 8.145 -8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.988 7.523 -8.544 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.072 5.804 -9.689 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.377 6.723 -11.010 1.00 0.00 H new ATOM 0 HE ARG A 68 4.248 6.611 -10.247 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.696 7.880 -12.328 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.824 8.427 -13.574 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.691 7.315 -11.851 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.076 8.108 -13.305 1.00 0.00 H new ATOM 964 N HIS A 69 3.209 10.185 -7.525 1.00 0.00 N ATOM 965 CA HIS A 69 4.563 10.208 -6.983 1.00 0.00 C ATOM 966 C HIS A 69 5.026 8.801 -6.616 1.00 0.00 C ATOM 967 O HIS A 69 4.211 7.894 -6.444 1.00 0.00 O ATOM 968 CB HIS A 69 4.628 11.115 -5.754 1.00 0.00 C ATOM 969 CG HIS A 69 4.625 12.576 -6.087 1.00 0.00 C ATOM 970 ND1 HIS A 69 5.639 13.433 -5.719 1.00 0.00 N ATOM 971 CD2 HIS A 69 3.723 13.328 -6.759 1.00 0.00 C ATOM 972 CE1 HIS A 69 5.361 14.651 -6.149 1.00 0.00 C ATOM 973 NE2 HIS A 69 4.204 14.614 -6.784 1.00 0.00 N ATOM 0 H HIS A 69 2.489 9.928 -6.850 1.00 0.00 H new ATOM 0 HA HIS A 69 5.228 10.602 -7.752 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.779 10.897 -5.106 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.530 10.882 -5.188 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.797 12.982 -7.194 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.975 15.528 -6.006 1.00 0.00 H new ATOM 0 HE2 HIS A 69 3.742 15.411 -7.222 1.00 0.00 H new ATOM 982 N VAL A 70 6.338 8.626 -6.498 1.00 0.00 N ATOM 983 CA VAL A 70 6.909 7.330 -6.152 1.00 0.00 C ATOM 984 C VAL A 70 8.090 7.487 -5.200 1.00 0.00 C ATOM 985 O VAL A 70 9.034 8.224 -5.481 1.00 0.00 O ATOM 986 CB VAL A 70 7.373 6.567 -7.407 1.00 0.00 C ATOM 987 CG1 VAL A 70 7.825 5.162 -7.041 1.00 0.00 C ATOM 988 CG2 VAL A 70 6.262 6.526 -8.445 1.00 0.00 C ATOM 0 H VAL A 70 7.026 9.366 -6.637 1.00 0.00 H new ATOM 0 HA VAL A 70 6.122 6.759 -5.660 1.00 0.00 H new ATOM 0 HB VAL A 70 8.223 7.095 -7.839 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.149 4.638 -7.940 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.654 5.219 -6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.996 4.621 -6.585 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.606 5.983 -9.325 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.391 6.022 -8.026 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.991 7.543 -8.729 1.00 0.00 H new ATOM 998 N VAL A 71 8.030 6.786 -4.072 1.00 0.00 N ATOM 999 CA VAL A 71 9.095 6.845 -3.078 1.00 0.00 C ATOM 1000 C VAL A 71 10.214 5.865 -3.413 1.00 0.00 C ATOM 1001 O VAL A 71 9.960 4.709 -3.751 1.00 0.00 O ATOM 1002 CB VAL A 71 8.563 6.537 -1.666 1.00 0.00 C ATOM 1003 CG1 VAL A 71 9.698 6.550 -0.653 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.479 7.531 -1.277 1.00 0.00 C ATOM 0 H VAL A 71 7.255 6.171 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 71 9.489 7.861 -3.096 1.00 0.00 H new ATOM 0 HB VAL A 71 8.124 5.539 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.303 6.330 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.437 5.796 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.169 7.533 -0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.114 7.299 -0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.890 8.540 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.655 7.467 -1.987 1.00 0.00 H new ATOM 1014 N ASP A 72 11.453 6.335 -3.316 1.00 0.00 N ATOM 1015 CA ASP A 72 12.612 5.500 -3.607 1.00 0.00 C ATOM 1016 C ASP A 72 13.568 5.463 -2.418 1.00 0.00 C ATOM 1017 O ASP A 72 13.654 6.419 -1.649 1.00 0.00 O ATOM 1018 CB ASP A 72 13.342 6.018 -4.848 1.00 0.00 C ATOM 1019 CG ASP A 72 13.670 7.495 -4.752 1.00 0.00 C ATOM 1020 OD1 ASP A 72 12.739 8.296 -4.524 1.00 0.00 O ATOM 1021 OD2 ASP A 72 14.857 7.850 -4.905 1.00 0.00 O ATOM 0 H ASP A 72 11.680 7.290 -3.038 1.00 0.00 H new ATOM 0 HA ASP A 72 12.260 4.487 -3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.263 5.452 -4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.725 5.842 -5.729 1.00 0.00 H new ATOM 1026 N GLY A 73 14.283 4.351 -2.275 1.00 0.00 N ATOM 1027 CA GLY A 73 15.221 4.209 -1.177 1.00 0.00 C ATOM 1028 C GLY A 73 14.545 3.783 0.112 1.00 0.00 C ATOM 1029 O GLY A 73 14.703 4.431 1.147 1.00 0.00 O ATOM 0 H GLY A 73 14.229 3.546 -2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.981 3.475 -1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.735 5.157 -1.018 1.00 0.00 H new ATOM 1033 N ILE A 74 13.791 2.691 0.049 1.00 0.00 N ATOM 1034 CA ILE A 74 13.089 2.180 1.220 1.00 0.00 C ATOM 1035 C ILE A 74 13.687 0.857 1.685 1.00 0.00 C ATOM 1036 O ILE A 74 13.858 -0.071 0.895 1.00 0.00 O ATOM 1037 CB ILE A 74 11.589 1.979 0.934 1.00 0.00 C ATOM 1038 CG1 ILE A 74 10.933 3.315 0.577 1.00 0.00 C ATOM 1039 CG2 ILE A 74 10.900 1.349 2.135 1.00 0.00 C ATOM 1040 CD1 ILE A 74 9.474 3.189 0.197 1.00 0.00 C ATOM 0 H ILE A 74 13.650 2.143 -0.800 1.00 0.00 H new ATOM 0 HA ILE A 74 13.204 2.925 2.007 1.00 0.00 H new ATOM 0 HB ILE A 74 11.483 1.304 0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 74 11.022 3.993 1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.478 3.768 -0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.841 1.214 1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.353 0.381 2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 74 11.012 2.001 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.074 4.174 -0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.379 2.537 -0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.916 2.765 1.032 1.00 0.00 H new ATOM 1052 N SER A 75 14.003 0.777 2.974 1.00 0.00 N ATOM 1053 CA SER A 75 14.584 -0.432 3.545 1.00 0.00 C ATOM 1054 C SER A 75 13.573 -1.575 3.542 1.00 0.00 C ATOM 1055 O SER A 75 12.392 -1.374 3.822 1.00 0.00 O ATOM 1056 CB SER A 75 15.065 -0.166 4.973 1.00 0.00 C ATOM 1057 OG SER A 75 16.179 -0.981 5.296 1.00 0.00 O ATOM 0 H SER A 75 13.866 1.535 3.642 1.00 0.00 H new ATOM 0 HA SER A 75 15.436 -0.722 2.930 1.00 0.00 H new ATOM 0 HB2 SER A 75 15.336 0.884 5.079 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.254 -0.358 5.675 1.00 0.00 H new ATOM 0 HG SER A 75 16.468 -0.791 6.213 1.00 0.00 H new ATOM 1063 N ARG A 76 14.048 -2.775 3.222 1.00 0.00 N ATOM 1064 CA ARG A 76 13.186 -3.950 3.180 1.00 0.00 C ATOM 1065 C ARG A 76 12.588 -4.235 4.554 1.00 0.00 C ATOM 1066 O ARG A 76 11.529 -4.852 4.664 1.00 0.00 O ATOM 1067 CB ARG A 76 13.973 -5.168 2.692 1.00 0.00 C ATOM 1068 CG ARG A 76 15.233 -5.442 3.498 1.00 0.00 C ATOM 1069 CD ARG A 76 16.013 -6.616 2.929 1.00 0.00 C ATOM 1070 NE ARG A 76 17.247 -6.864 3.670 1.00 0.00 N ATOM 1071 CZ ARG A 76 17.285 -7.462 4.856 1.00 0.00 C ATOM 1072 NH1 ARG A 76 16.163 -7.873 5.431 1.00 0.00 N ATOM 1073 NH2 ARG A 76 18.447 -7.651 5.468 1.00 0.00 N ATOM 0 H ARG A 76 15.024 -2.958 2.988 1.00 0.00 H new ATOM 0 HA ARG A 76 12.372 -3.748 2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.328 -6.046 2.731 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.245 -5.019 1.647 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.864 -4.553 3.503 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.966 -5.649 4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.390 -7.510 2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.251 -6.420 1.883 1.00 0.00 H new ATOM 0 HE ARG A 76 18.128 -6.562 3.254 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.268 -7.730 4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.195 -8.332 6.341 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.312 -7.337 5.028 1.00 0.00 H new ATOM 0 HH22 ARG A 76 18.475 -8.110 6.378 1.00 0.00 H new ATOM 1087 N GLU A 77 13.274 -3.781 5.599 1.00 0.00 N ATOM 1088 CA GLU A 77 12.810 -3.988 6.965 1.00 0.00 C ATOM 1089 C GLU A 77 11.731 -2.974 7.334 1.00 0.00 C ATOM 1090 O GLU A 77 11.328 -2.872 8.493 1.00 0.00 O ATOM 1091 CB GLU A 77 13.980 -3.884 7.946 1.00 0.00 C ATOM 1092 CG GLU A 77 15.028 -4.968 7.759 1.00 0.00 C ATOM 1093 CD GLU A 77 14.419 -6.342 7.559 1.00 0.00 C ATOM 1094 OE1 GLU A 77 14.139 -6.703 6.397 1.00 0.00 O ATOM 1095 OE2 GLU A 77 14.222 -7.055 8.565 1.00 0.00 O ATOM 0 H GLU A 77 14.152 -3.268 5.525 1.00 0.00 H new ATOM 0 HA GLU A 77 12.380 -4.988 7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.453 -2.909 7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.595 -3.934 8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 77 15.650 -4.722 6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.683 -4.989 8.630 1.00 0.00 H new ATOM 1102 N HIS A 78 11.268 -2.223 6.339 1.00 0.00 N ATOM 1103 CA HIS A 78 10.236 -1.216 6.557 1.00 0.00 C ATOM 1104 C HIS A 78 8.973 -1.553 5.772 1.00 0.00 C ATOM 1105 O HIS A 78 8.821 -1.150 4.619 1.00 0.00 O ATOM 1106 CB HIS A 78 10.749 0.166 6.152 1.00 0.00 C ATOM 1107 CG HIS A 78 11.388 0.922 7.276 1.00 0.00 C ATOM 1108 ND1 HIS A 78 10.680 1.403 8.357 1.00 0.00 N ATOM 1109 CD2 HIS A 78 12.677 1.278 7.484 1.00 0.00 C ATOM 1110 CE1 HIS A 78 11.505 2.023 9.181 1.00 0.00 C ATOM 1111 NE2 HIS A 78 12.724 1.961 8.674 1.00 0.00 N ATOM 0 H HIS A 78 11.591 -2.293 5.374 1.00 0.00 H new ATOM 0 HA HIS A 78 9.990 -1.207 7.619 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.472 0.053 5.344 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.918 0.751 5.758 1.00 0.00 H new ATOM 0 HD2 HIS A 78 13.513 1.065 6.835 1.00 0.00 H new ATOM 0 HE1 HIS A 78 11.230 2.499 10.111 1.00 0.00 H new ATOM 0 HE2 HIS A 78 13.563 2.356 9.098 1.00 0.00 H new ATOM 1120 N SER A 79 8.069 -2.295 6.404 1.00 0.00 N ATOM 1121 CA SER A 79 6.821 -2.691 5.763 1.00 0.00 C ATOM 1122 C SER A 79 5.782 -1.579 5.865 1.00 0.00 C ATOM 1123 O SER A 79 4.582 -1.822 5.738 1.00 0.00 O ATOM 1124 CB SER A 79 6.278 -3.971 6.401 1.00 0.00 C ATOM 1125 OG SER A 79 6.752 -5.121 5.721 1.00 0.00 O ATOM 0 H SER A 79 8.178 -2.634 7.360 1.00 0.00 H new ATOM 0 HA SER A 79 7.026 -2.878 4.709 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.578 -4.015 7.448 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.188 -3.957 6.382 1.00 0.00 H new ATOM 0 HG SER A 79 6.349 -5.162 4.828 1.00 0.00 H new ATOM 1131 N SER A 80 6.252 -0.357 6.095 1.00 0.00 N ATOM 1132 CA SER A 80 5.365 0.793 6.218 1.00 0.00 C ATOM 1133 C SER A 80 6.094 2.084 5.857 1.00 0.00 C ATOM 1134 O SER A 80 7.305 2.199 6.048 1.00 0.00 O ATOM 1135 CB SER A 80 4.812 0.888 7.641 1.00 0.00 C ATOM 1136 OG SER A 80 5.861 0.948 8.592 1.00 0.00 O ATOM 0 H SER A 80 7.243 -0.138 6.200 1.00 0.00 H new ATOM 0 HA SER A 80 4.537 0.657 5.522 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.183 1.774 7.732 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.179 0.025 7.847 1.00 0.00 H new ATOM 0 HG SER A 80 5.482 1.010 9.494 1.00 0.00 H new ATOM 1142 N TRP A 81 5.349 3.050 5.333 1.00 0.00 N ATOM 1143 CA TRP A 81 5.925 4.333 4.945 1.00 0.00 C ATOM 1144 C TRP A 81 4.967 5.477 5.259 1.00 0.00 C ATOM 1145 O TRP A 81 3.749 5.297 5.258 1.00 0.00 O ATOM 1146 CB TRP A 81 6.265 4.332 3.454 1.00 0.00 C ATOM 1147 CG TRP A 81 7.150 5.471 3.045 1.00 0.00 C ATOM 1148 CD1 TRP A 81 6.771 6.610 2.394 1.00 0.00 C ATOM 1149 CD2 TRP A 81 8.561 5.580 3.260 1.00 0.00 C ATOM 1150 NE1 TRP A 81 7.862 7.420 2.190 1.00 0.00 N ATOM 1151 CE2 TRP A 81 8.972 6.811 2.713 1.00 0.00 C ATOM 1152 CE3 TRP A 81 9.517 4.758 3.862 1.00 0.00 C ATOM 1153 CZ2 TRP A 81 10.297 7.237 2.751 1.00 0.00 C ATOM 1154 CZ3 TRP A 81 10.832 5.181 3.898 1.00 0.00 C ATOM 1155 CH2 TRP A 81 11.212 6.412 3.346 1.00 0.00 C ATOM 0 H TRP A 81 4.346 2.970 5.167 1.00 0.00 H new ATOM 0 HA TRP A 81 6.839 4.481 5.519 1.00 0.00 H new ATOM 0 HB2 TRP A 81 6.755 3.392 3.201 1.00 0.00 H new ATOM 0 HB3 TRP A 81 5.341 4.375 2.878 1.00 0.00 H new ATOM 0 HD1 TRP A 81 5.762 6.840 2.085 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.848 8.328 1.725 1.00 0.00 H new ATOM 0 HE3 TRP A 81 9.233 3.809 4.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 10.592 8.185 2.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 11.579 4.553 4.359 1.00 0.00 H new ATOM 0 HH2 TRP A 81 12.248 6.715 3.391 1.00 0.00 H new ATOM 1166 N ASP A 82 5.524 6.652 5.528 1.00 0.00 N ATOM 1167 CA ASP A 82 4.718 7.826 5.843 1.00 0.00 C ATOM 1168 C ASP A 82 4.876 8.898 4.769 1.00 0.00 C ATOM 1169 O ASP A 82 5.855 9.646 4.762 1.00 0.00 O ATOM 1170 CB ASP A 82 5.114 8.392 7.208 1.00 0.00 C ATOM 1171 CG ASP A 82 6.611 8.349 7.440 1.00 0.00 C ATOM 1172 OD1 ASP A 82 7.369 8.449 6.452 1.00 0.00 O ATOM 1173 OD2 ASP A 82 7.026 8.215 8.610 1.00 0.00 O ATOM 0 H ASP A 82 6.530 6.817 5.534 1.00 0.00 H new ATOM 0 HA ASP A 82 3.672 7.520 5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.767 9.422 7.286 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.611 7.826 7.992 1.00 0.00 H new ATOM 1178 N LEU A 83 3.908 8.967 3.862 1.00 0.00 N ATOM 1179 CA LEU A 83 3.940 9.947 2.781 1.00 0.00 C ATOM 1180 C LEU A 83 3.647 11.348 3.308 1.00 0.00 C ATOM 1181 O LEU A 83 2.745 11.540 4.124 1.00 0.00 O ATOM 1182 CB LEU A 83 2.926 9.575 1.698 1.00 0.00 C ATOM 1183 CG LEU A 83 3.006 8.143 1.168 1.00 0.00 C ATOM 1184 CD1 LEU A 83 1.798 7.827 0.300 1.00 0.00 C ATOM 1185 CD2 LEU A 83 4.296 7.935 0.387 1.00 0.00 C ATOM 0 H LEU A 83 3.091 8.356 3.853 1.00 0.00 H new ATOM 0 HA LEU A 83 4.941 9.943 2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.924 9.739 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.053 10.259 0.859 1.00 0.00 H new ATOM 0 HG LEU A 83 3.005 7.460 2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.872 6.804 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.888 7.935 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.767 8.515 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.336 6.910 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.327 8.626 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.150 8.119 1.039 1.00 0.00 H new ATOM 1197 N VAL A 84 4.414 12.325 2.835 1.00 0.00 N ATOM 1198 CA VAL A 84 4.234 13.710 3.255 1.00 0.00 C ATOM 1199 C VAL A 84 4.275 14.657 2.061 1.00 0.00 C ATOM 1200 O VAL A 84 5.169 14.575 1.221 1.00 0.00 O ATOM 1201 CB VAL A 84 5.314 14.133 4.269 1.00 0.00 C ATOM 1202 CG1 VAL A 84 5.232 13.279 5.525 1.00 0.00 C ATOM 1203 CG2 VAL A 84 6.698 14.042 3.642 1.00 0.00 C ATOM 0 H VAL A 84 5.166 12.183 2.161 1.00 0.00 H new ATOM 0 HA VAL A 84 3.255 13.772 3.730 1.00 0.00 H new ATOM 0 HB VAL A 84 5.135 15.170 4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.003 13.593 6.229 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.251 13.400 5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.384 12.232 5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.449 14.344 4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.889 13.015 3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.749 14.701 2.775 1.00 0.00 H new ATOM 1213 N GLY A 85 3.298 15.556 1.993 1.00 0.00 N ATOM 1214 CA GLY A 85 3.240 16.507 0.898 1.00 0.00 C ATOM 1215 C GLY A 85 2.033 16.292 0.007 1.00 0.00 C ATOM 1216 O GLY A 85 2.142 16.328 -1.220 1.00 0.00 O ATOM 0 H GLY A 85 2.546 15.643 2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.214 17.519 1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.148 16.425 0.301 1.00 0.00 H new ATOM 1220 N LEU A 86 0.877 16.067 0.623 1.00 0.00 N ATOM 1221 CA LEU A 86 -0.357 15.844 -0.122 1.00 0.00 C ATOM 1222 C LEU A 86 -1.388 16.922 0.196 1.00 0.00 C ATOM 1223 O LEU A 86 -1.159 17.781 1.047 1.00 0.00 O ATOM 1224 CB LEU A 86 -0.929 14.463 0.202 1.00 0.00 C ATOM 1225 CG LEU A 86 0.068 13.303 0.187 1.00 0.00 C ATOM 1226 CD1 LEU A 86 -0.557 12.054 0.789 1.00 0.00 C ATOM 1227 CD2 LEU A 86 0.548 13.031 -1.231 1.00 0.00 C ATOM 0 H LEU A 86 0.769 16.034 1.637 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.124 15.893 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.391 14.506 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.722 14.243 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 86 0.930 13.582 0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.167 11.239 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.850 12.254 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.436 11.772 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.257 12.203 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.304 12.773 -1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.036 13.922 -1.627 1.00 0.00 H new ATOM 1239 N GLU A 87 -2.525 16.868 -0.491 1.00 0.00 N ATOM 1240 CA GLU A 87 -3.591 17.839 -0.279 1.00 0.00 C ATOM 1241 C GLU A 87 -4.427 17.471 0.943 1.00 0.00 C ATOM 1242 O GLU A 87 -4.446 16.317 1.373 1.00 0.00 O ATOM 1243 CB GLU A 87 -4.487 17.924 -1.517 1.00 0.00 C ATOM 1244 CG GLU A 87 -5.434 19.112 -1.502 1.00 0.00 C ATOM 1245 CD GLU A 87 -4.716 20.433 -1.696 1.00 0.00 C ATOM 1246 OE1 GLU A 87 -3.898 20.531 -2.635 1.00 0.00 O ATOM 1247 OE2 GLU A 87 -4.971 21.369 -0.909 1.00 0.00 O ATOM 0 H GLU A 87 -2.731 16.163 -1.198 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.132 18.812 -0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.859 17.982 -2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.070 17.006 -1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.178 18.988 -2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.972 19.131 -0.554 1.00 0.00 H new ATOM 1254 N LYS A 88 -5.118 18.460 1.499 1.00 0.00 N ATOM 1255 CA LYS A 88 -5.958 18.243 2.672 1.00 0.00 C ATOM 1256 C LYS A 88 -7.396 17.939 2.263 1.00 0.00 C ATOM 1257 O LYS A 88 -7.938 18.568 1.354 1.00 0.00 O ATOM 1258 CB LYS A 88 -5.925 19.472 3.583 1.00 0.00 C ATOM 1259 CG LYS A 88 -4.521 19.899 3.977 1.00 0.00 C ATOM 1260 CD LYS A 88 -4.497 21.329 4.490 1.00 0.00 C ATOM 1261 CE LYS A 88 -4.278 22.323 3.360 1.00 0.00 C ATOM 1262 NZ LYS A 88 -3.957 23.684 3.872 1.00 0.00 N ATOM 0 H LYS A 88 -5.113 19.421 1.156 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.564 17.384 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.420 20.302 3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.498 19.260 4.486 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.138 19.229 4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.857 19.809 3.117 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.437 21.551 4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.704 21.438 5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.466 21.974 2.722 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.173 22.370 2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.815 24.332 3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.743 24.028 4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.089 23.644 4.443 1.00 0.00 H new ATOM 1276 N TRP A 89 -8.006 16.973 2.939 1.00 0.00 N ATOM 1277 CA TRP A 89 -9.382 16.588 2.646 1.00 0.00 C ATOM 1278 C TRP A 89 -9.516 16.098 1.209 1.00 0.00 C ATOM 1279 O TRP A 89 -10.426 16.504 0.486 1.00 0.00 O ATOM 1280 CB TRP A 89 -10.326 17.767 2.887 1.00 0.00 C ATOM 1281 CG TRP A 89 -11.698 17.350 3.325 1.00 0.00 C ATOM 1282 CD1 TRP A 89 -12.010 16.351 4.202 1.00 0.00 C ATOM 1283 CD2 TRP A 89 -12.942 17.920 2.904 1.00 0.00 C ATOM 1284 NE1 TRP A 89 -13.373 16.266 4.352 1.00 0.00 N ATOM 1285 CE2 TRP A 89 -13.967 17.218 3.567 1.00 0.00 C ATOM 1286 CE3 TRP A 89 -13.289 18.957 2.034 1.00 0.00 C ATOM 1287 CZ2 TRP A 89 -15.314 17.520 3.385 1.00 0.00 C ATOM 1288 CZ3 TRP A 89 -14.627 19.255 1.854 1.00 0.00 C ATOM 1289 CH2 TRP A 89 -15.626 18.540 2.527 1.00 0.00 C ATOM 0 H TRP A 89 -7.570 16.442 3.693 1.00 0.00 H new ATOM 0 HA TRP A 89 -9.655 15.772 3.315 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -9.894 18.420 3.645 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -10.407 18.352 1.971 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -11.291 15.720 4.704 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -13.863 15.602 4.951 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -12.526 19.515 1.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -16.085 16.969 3.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -14.907 20.053 1.183 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -16.662 18.798 2.366 1.00 0.00 H new ATOM 1300 N THR A 90 -8.603 15.222 0.799 1.00 0.00 N ATOM 1301 CA THR A 90 -8.620 14.678 -0.553 1.00 0.00 C ATOM 1302 C THR A 90 -8.189 13.216 -0.562 1.00 0.00 C ATOM 1303 O THR A 90 -7.221 12.841 0.098 1.00 0.00 O ATOM 1304 CB THR A 90 -7.698 15.479 -1.492 1.00 0.00 C ATOM 1305 OG1 THR A 90 -8.179 16.821 -1.624 1.00 0.00 O ATOM 1306 CG2 THR A 90 -7.623 14.825 -2.864 1.00 0.00 C ATOM 0 H THR A 90 -7.843 14.875 1.384 1.00 0.00 H new ATOM 0 HA THR A 90 -9.646 14.754 -0.912 1.00 0.00 H new ATOM 0 HB THR A 90 -6.698 15.493 -1.058 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.586 17.324 -2.221 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.966 15.408 -3.510 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.229 13.814 -2.764 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.620 14.784 -3.302 1.00 0.00 H new ATOM 1314 N GLU A 91 -8.913 12.395 -1.316 1.00 0.00 N ATOM 1315 CA GLU A 91 -8.604 10.973 -1.411 1.00 0.00 C ATOM 1316 C GLU A 91 -7.344 10.744 -2.240 1.00 0.00 C ATOM 1317 O GLU A 91 -7.065 11.484 -3.183 1.00 0.00 O ATOM 1318 CB GLU A 91 -9.780 10.213 -2.028 1.00 0.00 C ATOM 1319 CG GLU A 91 -9.865 8.761 -1.589 1.00 0.00 C ATOM 1320 CD GLU A 91 -11.270 8.201 -1.694 1.00 0.00 C ATOM 1321 OE1 GLU A 91 -11.760 8.040 -2.832 1.00 0.00 O ATOM 1322 OE2 GLU A 91 -11.879 7.923 -0.640 1.00 0.00 O ATOM 0 H GLU A 91 -9.717 12.690 -1.870 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.427 10.598 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.708 10.719 -1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.696 10.251 -3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.192 8.160 -2.201 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.520 8.676 -0.558 1.00 0.00 H new ATOM 1329 N TYR A 92 -6.586 9.714 -1.880 1.00 0.00 N ATOM 1330 CA TYR A 92 -5.354 9.388 -2.588 1.00 0.00 C ATOM 1331 C TYR A 92 -5.169 7.878 -2.693 1.00 0.00 C ATOM 1332 O TYR A 92 -5.269 7.158 -1.700 1.00 0.00 O ATOM 1333 CB TYR A 92 -4.152 10.012 -1.876 1.00 0.00 C ATOM 1334 CG TYR A 92 -3.904 11.454 -2.256 1.00 0.00 C ATOM 1335 CD1 TYR A 92 -4.558 12.488 -1.597 1.00 0.00 C ATOM 1336 CD2 TYR A 92 -3.018 11.783 -3.274 1.00 0.00 C ATOM 1337 CE1 TYR A 92 -4.336 13.808 -1.941 1.00 0.00 C ATOM 1338 CE2 TYR A 92 -2.788 13.100 -3.624 1.00 0.00 C ATOM 1339 CZ TYR A 92 -3.450 14.108 -2.955 1.00 0.00 C ATOM 1340 OH TYR A 92 -3.225 15.421 -3.301 1.00 0.00 O ATOM 0 H TYR A 92 -6.803 9.091 -1.102 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.425 9.798 -3.596 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.307 9.950 -0.799 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -3.261 9.427 -2.104 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.252 12.256 -0.802 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.500 10.996 -3.801 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -4.853 14.600 -1.419 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -2.094 13.338 -4.417 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.573 15.460 -4.032 1.00 0.00 H new ATOM 1350 N ARG A 93 -4.898 7.404 -3.905 1.00 0.00 N ATOM 1351 CA ARG A 93 -4.699 5.980 -4.142 1.00 0.00 C ATOM 1352 C ARG A 93 -3.230 5.601 -3.980 1.00 0.00 C ATOM 1353 O ARG A 93 -2.392 5.953 -4.810 1.00 0.00 O ATOM 1354 CB ARG A 93 -5.182 5.602 -5.544 1.00 0.00 C ATOM 1355 CG ARG A 93 -6.694 5.510 -5.663 1.00 0.00 C ATOM 1356 CD ARG A 93 -7.134 5.415 -7.116 1.00 0.00 C ATOM 1357 NE ARG A 93 -8.536 5.026 -7.239 1.00 0.00 N ATOM 1358 CZ ARG A 93 -9.192 4.998 -8.394 1.00 0.00 C ATOM 1359 NH1 ARG A 93 -8.576 5.334 -9.518 1.00 0.00 N ATOM 1360 NH2 ARG A 93 -10.468 4.633 -8.425 1.00 0.00 N ATOM 0 H ARG A 93 -4.811 7.986 -4.738 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.282 5.430 -3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.814 6.340 -6.257 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.745 4.643 -5.823 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.051 4.637 -5.116 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.150 6.385 -5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.981 6.377 -7.605 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.509 4.689 -7.637 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.039 4.761 -6.392 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.596 5.615 -9.498 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.082 5.312 -10.403 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.945 4.374 -7.562 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.971 4.612 -9.312 1.00 0.00 H new ATOM 1374 N VAL A 94 -2.925 4.882 -2.904 1.00 0.00 N ATOM 1375 CA VAL A 94 -1.558 4.455 -2.632 1.00 0.00 C ATOM 1376 C VAL A 94 -1.301 3.055 -3.177 1.00 0.00 C ATOM 1377 O VAL A 94 -2.123 2.154 -3.014 1.00 0.00 O ATOM 1378 CB VAL A 94 -1.255 4.470 -1.122 1.00 0.00 C ATOM 1379 CG1 VAL A 94 0.141 3.930 -0.851 1.00 0.00 C ATOM 1380 CG2 VAL A 94 -1.410 5.875 -0.561 1.00 0.00 C ATOM 0 H VAL A 94 -3.607 4.583 -2.207 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.899 5.164 -3.134 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.973 3.822 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.337 3.949 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.212 2.905 -1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.877 4.549 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.192 5.866 0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.717 6.547 -1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.432 6.220 -0.720 1.00 0.00 H new ATOM 1390 N TRP A 95 -0.155 2.880 -3.824 1.00 0.00 N ATOM 1391 CA TRP A 95 0.212 1.588 -4.394 1.00 0.00 C ATOM 1392 C TRP A 95 1.587 1.147 -3.905 1.00 0.00 C ATOM 1393 O TRP A 95 2.597 1.780 -4.210 1.00 0.00 O ATOM 1394 CB TRP A 95 0.199 1.659 -5.922 1.00 0.00 C ATOM 1395 CG TRP A 95 -1.139 2.029 -6.488 1.00 0.00 C ATOM 1396 CD1 TRP A 95 -2.189 1.188 -6.725 1.00 0.00 C ATOM 1397 CD2 TRP A 95 -1.568 3.334 -6.890 1.00 0.00 C ATOM 1398 NE1 TRP A 95 -3.246 1.893 -7.250 1.00 0.00 N ATOM 1399 CE2 TRP A 95 -2.890 3.211 -7.360 1.00 0.00 C ATOM 1400 CE3 TRP A 95 -0.965 4.595 -6.897 1.00 0.00 C ATOM 1401 CZ2 TRP A 95 -3.616 4.301 -7.832 1.00 0.00 C ATOM 1402 CZ3 TRP A 95 -1.687 5.675 -7.366 1.00 0.00 C ATOM 1403 CH2 TRP A 95 -3.001 5.524 -7.828 1.00 0.00 C ATOM 0 H TRP A 95 0.537 3.616 -3.967 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.522 0.853 -4.065 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.939 2.389 -6.251 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.502 0.693 -6.326 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.189 0.126 -6.529 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.149 1.499 -7.515 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.047 4.722 -6.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.629 4.186 -8.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.230 6.654 -7.377 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.539 6.389 -8.188 1.00 0.00 H new ATOM 1414 N VAL A 96 1.619 0.058 -3.144 1.00 0.00 N ATOM 1415 CA VAL A 96 2.871 -0.468 -2.613 1.00 0.00 C ATOM 1416 C VAL A 96 3.151 -1.866 -3.151 1.00 0.00 C ATOM 1417 O VAL A 96 2.304 -2.755 -3.070 1.00 0.00 O ATOM 1418 CB VAL A 96 2.852 -0.516 -1.074 1.00 0.00 C ATOM 1419 CG1 VAL A 96 1.613 -1.246 -0.577 1.00 0.00 C ATOM 1420 CG2 VAL A 96 4.117 -1.176 -0.546 1.00 0.00 C ATOM 0 H VAL A 96 0.792 -0.478 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 96 3.662 0.208 -2.938 1.00 0.00 H new ATOM 0 HB VAL A 96 2.818 0.506 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.617 -1.270 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.720 -0.726 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.613 -2.266 -0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.087 -1.201 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.184 -2.194 -0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.988 -0.607 -0.872 1.00 0.00 H new ATOM 1430 N ARG A 97 4.347 -2.054 -3.701 1.00 0.00 N ATOM 1431 CA ARG A 97 4.740 -3.345 -4.254 1.00 0.00 C ATOM 1432 C ARG A 97 6.003 -3.865 -3.575 1.00 0.00 C ATOM 1433 O ARG A 97 6.795 -3.090 -3.039 1.00 0.00 O ATOM 1434 CB ARG A 97 4.968 -3.229 -5.762 1.00 0.00 C ATOM 1435 CG ARG A 97 6.196 -2.413 -6.131 1.00 0.00 C ATOM 1436 CD ARG A 97 6.019 -1.717 -7.471 1.00 0.00 C ATOM 1437 NE ARG A 97 7.068 -0.731 -7.718 1.00 0.00 N ATOM 1438 CZ ARG A 97 6.969 0.235 -8.625 1.00 0.00 C ATOM 1439 NH1 ARG A 97 5.875 0.345 -9.366 1.00 0.00 N ATOM 1440 NH2 ARG A 97 7.966 1.095 -8.791 1.00 0.00 N ATOM 0 H ARG A 97 5.060 -1.329 -3.775 1.00 0.00 H new ATOM 0 HA ARG A 97 3.932 -4.053 -4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.066 -4.229 -6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 97 4.089 -2.775 -6.220 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.387 -1.670 -5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.069 -3.065 -6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.024 -2.460 -8.269 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.046 -1.226 -7.499 1.00 0.00 H new ATOM 0 HE ARG A 97 7.923 -0.787 -7.164 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.106 -0.313 -9.241 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.803 1.088 -10.061 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.809 1.015 -8.222 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.889 1.836 -9.487 1.00 0.00 H new ATOM 1454 N ALA A 98 6.185 -5.181 -3.602 1.00 0.00 N ATOM 1455 CA ALA A 98 7.352 -5.804 -2.992 1.00 0.00 C ATOM 1456 C ALA A 98 8.364 -6.230 -4.050 1.00 0.00 C ATOM 1457 O ALA A 98 8.109 -7.145 -4.834 1.00 0.00 O ATOM 1458 CB ALA A 98 6.932 -6.999 -2.149 1.00 0.00 C ATOM 0 H ALA A 98 5.538 -5.837 -4.040 1.00 0.00 H new ATOM 0 HA ALA A 98 7.830 -5.067 -2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.814 -7.455 -1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.253 -6.669 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.428 -7.730 -2.780 1.00 0.00 H new ATOM 1464 N HIS A 99 9.512 -5.561 -4.068 1.00 0.00 N ATOM 1465 CA HIS A 99 10.563 -5.871 -5.031 1.00 0.00 C ATOM 1466 C HIS A 99 11.438 -7.016 -4.531 1.00 0.00 C ATOM 1467 O HIS A 99 11.835 -7.045 -3.365 1.00 0.00 O ATOM 1468 CB HIS A 99 11.422 -4.634 -5.296 1.00 0.00 C ATOM 1469 CG HIS A 99 10.696 -3.544 -6.022 1.00 0.00 C ATOM 1470 ND1 HIS A 99 9.644 -3.784 -6.881 1.00 0.00 N ATOM 1471 CD2 HIS A 99 10.874 -2.202 -6.012 1.00 0.00 C ATOM 1472 CE1 HIS A 99 9.208 -2.637 -7.370 1.00 0.00 C ATOM 1473 NE2 HIS A 99 9.937 -1.661 -6.858 1.00 0.00 N ATOM 0 H HIS A 99 9.738 -4.801 -3.427 1.00 0.00 H new ATOM 0 HA HIS A 99 10.089 -6.181 -5.962 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.787 -4.245 -4.345 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.296 -4.927 -5.878 1.00 0.00 H new ATOM 0 HD1 HIS A 99 9.262 -4.703 -7.104 1.00 0.00 H new ATOM 0 HD2 HIS A 99 11.615 -1.658 -5.445 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.394 -2.517 -8.070 1.00 0.00 H new ATOM 1482 N THR A 100 11.736 -7.959 -5.419 1.00 0.00 N ATOM 1483 CA THR A 100 12.563 -9.106 -5.067 1.00 0.00 C ATOM 1484 C THR A 100 13.856 -9.121 -5.875 1.00 0.00 C ATOM 1485 O THR A 100 13.955 -8.474 -6.918 1.00 0.00 O ATOM 1486 CB THR A 100 11.812 -10.431 -5.298 1.00 0.00 C ATOM 1487 OG1 THR A 100 10.907 -10.296 -6.400 1.00 0.00 O ATOM 1488 CG2 THR A 100 11.043 -10.841 -4.052 1.00 0.00 C ATOM 0 H THR A 100 11.417 -7.951 -6.388 1.00 0.00 H new ATOM 0 HA THR A 100 12.801 -9.011 -4.008 1.00 0.00 H new ATOM 0 HB THR A 100 12.546 -11.204 -5.524 1.00 0.00 H new ATOM 0 HG1 THR A 100 11.322 -9.748 -7.098 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.521 -11.779 -4.239 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.738 -10.972 -3.222 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.319 -10.066 -3.800 1.00 0.00 H new ATOM 1496 N ASP A 101 14.844 -9.862 -5.387 1.00 0.00 N ATOM 1497 CA ASP A 101 16.131 -9.963 -6.065 1.00 0.00 C ATOM 1498 C ASP A 101 15.951 -10.421 -7.509 1.00 0.00 C ATOM 1499 O ASP A 101 16.715 -10.035 -8.394 1.00 0.00 O ATOM 1500 CB ASP A 101 17.050 -10.932 -5.320 1.00 0.00 C ATOM 1501 CG ASP A 101 18.318 -11.238 -6.093 1.00 0.00 C ATOM 1502 OD1 ASP A 101 19.310 -10.499 -5.922 1.00 0.00 O ATOM 1503 OD2 ASP A 101 18.318 -12.216 -6.869 1.00 0.00 O ATOM 0 H ASP A 101 14.779 -10.402 -4.524 1.00 0.00 H new ATOM 0 HA ASP A 101 16.588 -8.974 -6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.312 -10.507 -4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 101 16.513 -11.861 -5.126 1.00 0.00 H new ATOM 1508 N VAL A 102 14.936 -11.248 -7.739 1.00 0.00 N ATOM 1509 CA VAL A 102 14.654 -11.759 -9.076 1.00 0.00 C ATOM 1510 C VAL A 102 14.102 -10.662 -9.979 1.00 0.00 C ATOM 1511 O VAL A 102 14.153 -10.768 -11.204 1.00 0.00 O ATOM 1512 CB VAL A 102 13.650 -12.925 -9.030 1.00 0.00 C ATOM 1513 CG1 VAL A 102 14.272 -14.140 -8.359 1.00 0.00 C ATOM 1514 CG2 VAL A 102 12.376 -12.503 -8.313 1.00 0.00 C ATOM 0 H VAL A 102 14.295 -11.578 -7.017 1.00 0.00 H new ATOM 0 HA VAL A 102 15.599 -12.119 -9.483 1.00 0.00 H new ATOM 0 HB VAL A 102 13.391 -13.198 -10.053 1.00 0.00 H new ATOM 0 HG11 VAL A 102 13.547 -14.954 -8.336 1.00 0.00 H new ATOM 0 HG12 VAL A 102 15.153 -14.454 -8.919 1.00 0.00 H new ATOM 0 HG13 VAL A 102 14.563 -13.884 -7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.677 -13.339 -8.290 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.615 -12.202 -7.293 1.00 0.00 H new ATOM 0 HG23 VAL A 102 11.921 -11.665 -8.842 1.00 0.00 H new ATOM 1524 N GLY A 103 13.575 -9.607 -9.365 1.00 0.00 N ATOM 1525 CA GLY A 103 13.021 -8.504 -10.129 1.00 0.00 C ATOM 1526 C GLY A 103 11.762 -7.939 -9.503 1.00 0.00 C ATOM 1527 O GLY A 103 11.115 -8.579 -8.673 1.00 0.00 O ATOM 0 H GLY A 103 13.522 -9.496 -8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.767 -7.714 -10.213 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.799 -8.842 -11.141 1.00 0.00 H new ATOM 1531 N PRO A 104 11.398 -6.711 -9.900 1.00 0.00 N ATOM 1532 CA PRO A 104 10.206 -6.033 -9.383 1.00 0.00 C ATOM 1533 C PRO A 104 8.914 -6.679 -9.870 1.00 0.00 C ATOM 1534 O PRO A 104 8.924 -7.490 -10.795 1.00 0.00 O ATOM 1535 CB PRO A 104 10.336 -4.613 -9.941 1.00 0.00 C ATOM 1536 CG PRO A 104 11.169 -4.762 -11.167 1.00 0.00 C ATOM 1537 CD PRO A 104 12.122 -5.891 -10.885 1.00 0.00 C ATOM 0 HA PRO A 104 10.153 -6.076 -8.295 1.00 0.00 H new ATOM 0 HB2 PRO A 104 9.360 -4.189 -10.175 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.809 -3.946 -9.220 1.00 0.00 H new ATOM 0 HG2 PRO A 104 10.549 -4.983 -12.036 1.00 0.00 H new ATOM 0 HG3 PRO A 104 11.709 -3.841 -11.386 1.00 0.00 H new ATOM 0 HD2 PRO A 104 12.352 -6.457 -11.787 1.00 0.00 H new ATOM 0 HD3 PRO A 104 13.069 -5.527 -10.486 1.00 0.00 H new ATOM 1545 N GLY A 105 7.801 -6.315 -9.240 1.00 0.00 N ATOM 1546 CA GLY A 105 6.516 -6.870 -9.624 1.00 0.00 C ATOM 1547 C GLY A 105 5.430 -5.815 -9.706 1.00 0.00 C ATOM 1548 O GLY A 105 5.693 -4.615 -9.623 1.00 0.00 O ATOM 0 H GLY A 105 7.766 -5.646 -8.471 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.612 -7.365 -10.591 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.223 -7.633 -8.903 1.00 0.00 H new ATOM 1552 N PRO A 106 4.177 -6.262 -9.876 1.00 0.00 N ATOM 1553 CA PRO A 106 3.023 -5.364 -9.975 1.00 0.00 C ATOM 1554 C PRO A 106 2.705 -4.681 -8.649 1.00 0.00 C ATOM 1555 O PRO A 106 3.335 -4.960 -7.630 1.00 0.00 O ATOM 1556 CB PRO A 106 1.881 -6.298 -10.383 1.00 0.00 C ATOM 1557 CG PRO A 106 2.291 -7.639 -9.881 1.00 0.00 C ATOM 1558 CD PRO A 106 3.790 -7.679 -9.983 1.00 0.00 C ATOM 0 HA PRO A 106 3.198 -4.550 -10.679 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.935 -5.983 -9.943 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.743 -6.305 -11.464 1.00 0.00 H new ATOM 0 HG2 PRO A 106 1.966 -7.786 -8.851 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.838 -8.433 -10.475 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.231 -8.277 -9.186 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.117 -8.115 -10.927 1.00 0.00 H new ATOM 1566 N GLU A 107 1.722 -3.785 -8.671 1.00 0.00 N ATOM 1567 CA GLU A 107 1.322 -3.063 -7.469 1.00 0.00 C ATOM 1568 C GLU A 107 0.326 -3.879 -6.650 1.00 0.00 C ATOM 1569 O GLU A 107 -0.156 -4.919 -7.097 1.00 0.00 O ATOM 1570 CB GLU A 107 0.707 -1.712 -7.841 1.00 0.00 C ATOM 1571 CG GLU A 107 1.659 -0.796 -8.592 1.00 0.00 C ATOM 1572 CD GLU A 107 1.597 -0.995 -10.094 1.00 0.00 C ATOM 1573 OE1 GLU A 107 0.571 -0.624 -10.701 1.00 0.00 O ATOM 1574 OE2 GLU A 107 2.576 -1.523 -10.662 1.00 0.00 O ATOM 0 H GLU A 107 1.189 -3.543 -9.506 1.00 0.00 H new ATOM 0 HA GLU A 107 2.213 -2.895 -6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.179 -1.882 -8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.375 -1.211 -6.932 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.421 0.241 -8.357 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.677 -0.975 -8.247 1.00 0.00 H new ATOM 1581 N SER A 108 0.024 -3.399 -5.448 1.00 0.00 N ATOM 1582 CA SER A 108 -0.910 -4.086 -4.563 1.00 0.00 C ATOM 1583 C SER A 108 -2.273 -3.399 -4.573 1.00 0.00 C ATOM 1584 O SER A 108 -2.496 -2.449 -5.324 1.00 0.00 O ATOM 1585 CB SER A 108 -0.358 -4.128 -3.137 1.00 0.00 C ATOM 1586 OG SER A 108 -0.609 -2.911 -2.457 1.00 0.00 O ATOM 0 H SER A 108 0.412 -2.537 -5.064 1.00 0.00 H new ATOM 0 HA SER A 108 -1.034 -5.106 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.814 -4.954 -2.591 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.715 -4.318 -3.164 1.00 0.00 H new ATOM 0 HG SER A 108 -0.318 -2.159 -3.014 1.00 0.00 H new ATOM 1592 N SER A 109 -3.180 -3.886 -3.734 1.00 0.00 N ATOM 1593 CA SER A 109 -4.523 -3.323 -3.648 1.00 0.00 C ATOM 1594 C SER A 109 -4.482 -1.906 -3.084 1.00 0.00 C ATOM 1595 O SER A 109 -4.097 -1.677 -1.937 1.00 0.00 O ATOM 1596 CB SER A 109 -5.414 -4.206 -2.773 1.00 0.00 C ATOM 1597 OG SER A 109 -6.665 -3.586 -2.529 1.00 0.00 O ATOM 0 H SER A 109 -3.010 -4.670 -3.103 1.00 0.00 H new ATOM 0 HA SER A 109 -4.939 -3.284 -4.655 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.570 -5.168 -3.262 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.914 -4.408 -1.826 1.00 0.00 H new ATOM 0 HG SER A 109 -7.216 -4.171 -1.969 1.00 0.00 H new ATOM 1603 N PRO A 110 -4.888 -0.930 -3.910 1.00 0.00 N ATOM 1604 CA PRO A 110 -4.908 0.482 -3.516 1.00 0.00 C ATOM 1605 C PRO A 110 -5.983 0.780 -2.477 1.00 0.00 C ATOM 1606 O PRO A 110 -7.145 0.410 -2.648 1.00 0.00 O ATOM 1607 CB PRO A 110 -5.214 1.211 -4.827 1.00 0.00 C ATOM 1608 CG PRO A 110 -5.938 0.209 -5.657 1.00 0.00 C ATOM 1609 CD PRO A 110 -5.359 -1.129 -5.290 1.00 0.00 C ATOM 0 HA PRO A 110 -3.971 0.788 -3.050 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.825 2.097 -4.654 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.299 1.545 -5.317 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.009 0.238 -5.458 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.805 0.413 -6.719 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.106 -1.920 -5.349 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.544 -1.410 -5.956 1.00 0.00 H new ATOM 1617 N VAL A 111 -5.589 1.450 -1.399 1.00 0.00 N ATOM 1618 CA VAL A 111 -6.520 1.798 -0.332 1.00 0.00 C ATOM 1619 C VAL A 111 -6.923 3.266 -0.413 1.00 0.00 C ATOM 1620 O VAL A 111 -6.075 4.148 -0.550 1.00 0.00 O ATOM 1621 CB VAL A 111 -5.914 1.519 1.056 1.00 0.00 C ATOM 1622 CG1 VAL A 111 -6.799 2.093 2.151 1.00 0.00 C ATOM 1623 CG2 VAL A 111 -5.706 0.025 1.255 1.00 0.00 C ATOM 0 H VAL A 111 -4.631 1.763 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.403 1.173 -0.466 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.942 2.009 1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.354 1.886 3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.892 3.171 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.787 1.635 2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.277 -0.155 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.664 -0.489 1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.028 -0.353 0.490 1.00 0.00 H new ATOM 1633 N LEU A 112 -8.224 3.522 -0.326 1.00 0.00 N ATOM 1634 CA LEU A 112 -8.742 4.885 -0.388 1.00 0.00 C ATOM 1635 C LEU A 112 -8.737 5.532 0.993 1.00 0.00 C ATOM 1636 O LEU A 112 -9.454 5.100 1.896 1.00 0.00 O ATOM 1637 CB LEU A 112 -10.160 4.887 -0.960 1.00 0.00 C ATOM 1638 CG LEU A 112 -10.322 4.282 -2.355 1.00 0.00 C ATOM 1639 CD1 LEU A 112 -11.776 4.343 -2.798 1.00 0.00 C ATOM 1640 CD2 LEU A 112 -9.428 5.001 -3.355 1.00 0.00 C ATOM 0 H LEU A 112 -8.939 2.804 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.092 5.465 -1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.808 4.344 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.517 5.916 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.020 3.236 -2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.872 3.908 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.394 3.783 -2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.105 5.382 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.556 4.557 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.700 6.056 -3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.387 4.905 -3.047 1.00 0.00 H new ATOM 1652 N VAL A 113 -7.926 6.574 1.150 1.00 0.00 N ATOM 1653 CA VAL A 113 -7.830 7.284 2.420 1.00 0.00 C ATOM 1654 C VAL A 113 -8.103 8.773 2.239 1.00 0.00 C ATOM 1655 O VAL A 113 -7.477 9.432 1.409 1.00 0.00 O ATOM 1656 CB VAL A 113 -6.442 7.102 3.062 1.00 0.00 C ATOM 1657 CG1 VAL A 113 -6.202 5.641 3.411 1.00 0.00 C ATOM 1658 CG2 VAL A 113 -5.355 7.623 2.134 1.00 0.00 C ATOM 0 H VAL A 113 -7.326 6.945 0.413 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.585 6.856 3.079 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.409 7.681 3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.216 5.532 3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.963 5.305 4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.254 5.037 2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.380 7.487 2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.385 7.073 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.519 8.683 1.940 1.00 0.00 H new ATOM 1668 N ARG A 114 -9.042 9.296 3.021 1.00 0.00 N ATOM 1669 CA ARG A 114 -9.399 10.707 2.947 1.00 0.00 C ATOM 1670 C ARG A 114 -8.687 11.506 4.034 1.00 0.00 C ATOM 1671 O ARG A 114 -8.997 11.376 5.219 1.00 0.00 O ATOM 1672 CB ARG A 114 -10.913 10.880 3.080 1.00 0.00 C ATOM 1673 CG ARG A 114 -11.373 12.325 2.978 1.00 0.00 C ATOM 1674 CD ARG A 114 -12.638 12.567 3.786 1.00 0.00 C ATOM 1675 NE ARG A 114 -13.469 13.616 3.202 1.00 0.00 N ATOM 1676 CZ ARG A 114 -14.334 13.404 2.216 1.00 0.00 C ATOM 1677 NH1 ARG A 114 -14.481 12.188 1.708 1.00 0.00 N ATOM 1678 NH2 ARG A 114 -15.055 14.410 1.738 1.00 0.00 N ATOM 0 H ARG A 114 -9.569 8.763 3.713 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.081 11.086 1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.406 10.295 2.304 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -11.234 10.472 4.039 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.582 12.985 3.333 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.554 12.577 1.933 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -13.212 11.642 3.847 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.369 12.843 4.806 1.00 0.00 H new ATOM 0 HE ARG A 114 -13.381 14.563 3.571 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -13.929 11.412 2.074 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -15.146 12.028 0.951 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -14.945 15.346 2.127 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -15.719 14.247 0.981 1.00 0.00 H new ATOM 1692 N THR A 115 -7.730 12.333 3.624 1.00 0.00 N ATOM 1693 CA THR A 115 -6.973 13.152 4.563 1.00 0.00 C ATOM 1694 C THR A 115 -7.898 14.037 5.390 1.00 0.00 C ATOM 1695 O THR A 115 -8.964 14.441 4.927 1.00 0.00 O ATOM 1696 CB THR A 115 -5.948 14.040 3.833 1.00 0.00 C ATOM 1697 OG1 THR A 115 -6.573 14.704 2.729 1.00 0.00 O ATOM 1698 CG2 THR A 115 -4.773 13.213 3.335 1.00 0.00 C ATOM 0 H THR A 115 -7.461 12.453 2.648 1.00 0.00 H new ATOM 0 HA THR A 115 -6.443 12.467 5.225 1.00 0.00 H new ATOM 0 HB THR A 115 -5.576 14.782 4.539 1.00 0.00 H new ATOM 0 HG1 THR A 115 -6.133 14.437 1.895 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.063 13.862 2.823 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.281 12.733 4.181 1.00 0.00 H new ATOM 0 HG23 THR A 115 -5.132 12.451 2.644 1.00 0.00 H new ATOM 1706 N ASP A 116 -7.482 14.335 6.616 1.00 0.00 N ATOM 1707 CA ASP A 116 -8.273 15.175 7.509 1.00 0.00 C ATOM 1708 C ASP A 116 -8.598 16.512 6.850 1.00 0.00 C ATOM 1709 O ASP A 116 -7.862 16.982 5.983 1.00 0.00 O ATOM 1710 CB ASP A 116 -7.524 15.407 8.822 1.00 0.00 C ATOM 1711 CG ASP A 116 -7.759 14.297 9.827 1.00 0.00 C ATOM 1712 OD1 ASP A 116 -7.529 13.121 9.475 1.00 0.00 O ATOM 1713 OD2 ASP A 116 -8.174 14.603 10.964 1.00 0.00 O ATOM 0 H ASP A 116 -6.602 14.008 7.014 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.209 14.658 7.721 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.456 15.488 8.618 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.839 16.357 9.254 1.00 0.00 H new ATOM 1718 N GLU A 117 -9.705 17.119 7.268 1.00 0.00 N ATOM 1719 CA GLU A 117 -10.127 18.401 6.717 1.00 0.00 C ATOM 1720 C GLU A 117 -9.319 19.546 7.322 1.00 0.00 C ATOM 1721 O GLU A 117 -8.943 19.503 8.493 1.00 0.00 O ATOM 1722 CB GLU A 117 -11.619 18.624 6.972 1.00 0.00 C ATOM 1723 CG GLU A 117 -12.297 19.477 5.912 1.00 0.00 C ATOM 1724 CD GLU A 117 -13.464 20.272 6.463 1.00 0.00 C ATOM 1725 OE1 GLU A 117 -14.413 19.650 6.985 1.00 0.00 O ATOM 1726 OE2 GLU A 117 -13.429 21.517 6.371 1.00 0.00 O ATOM 0 H GLU A 117 -10.325 16.743 7.986 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.948 18.382 5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.119 17.657 7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.746 19.099 7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.567 20.162 5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.648 18.835 5.104 1.00 0.00 H new