USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=21 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 58 TYR OH : rot 141:sc= 0.0379 USER MOD Set 1.2: A 69 HIS : no HD1:sc= 0.0353 X(o=0.073,f=-0.014) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.64) 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 170:sc= -4.31! USER MOD Single : A 29 SER OG : rot 34:sc= 1.13 USER MOD Single : A 30 MET CE :methyl -127:sc= -0.262 (180deg=-1.56) USER MOD Single : A 32 SER OG : rot 180:sc= -0.723 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -11:sc= 0.134 USER MOD Single : A 48 ASN : amide:sc= -0.624 K(o=-0.62,f=1) USER MOD Single : A 52 THR OG1 : rot -100:sc= -0.461 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 55 SER OG : rot -140:sc= -0.565 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.18) USER MOD Single : A 79 SER OG : rot 180:sc= 0 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 69:sc= 0.00402 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 99 HIS : no HD1:sc= -1.77 X(o=-1.8,f=-2) USER MOD Single : A 100 THR OG1 : rot 46:sc= 1.09 USER MOD Single : A 108 SER OG : rot -94:sc= 0.234 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -139:sc=-0.00114 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 7.404 -12.490 -5.521 1.00 0.00 N ATOM 215 CA PRO A 18 6.174 -12.742 -4.764 1.00 0.00 C ATOM 216 C PRO A 18 4.926 -12.637 -5.635 1.00 0.00 C ATOM 217 O PRO A 18 4.844 -11.784 -6.519 1.00 0.00 O ATOM 218 CB PRO A 18 6.179 -11.639 -3.703 1.00 0.00 C ATOM 219 CG PRO A 18 6.993 -10.543 -4.299 1.00 0.00 C ATOM 220 CD PRO A 18 8.039 -11.216 -5.144 1.00 0.00 C ATOM 0 HA PRO A 18 6.149 -13.750 -4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.167 -11.303 -3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.614 -11.991 -2.768 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.373 -9.879 -4.901 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.453 -9.932 -3.522 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.293 -10.619 -6.020 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.963 -11.376 -4.588 1.00 0.00 H new ATOM 228 N SER A 19 3.957 -13.510 -5.379 1.00 0.00 N ATOM 229 CA SER A 19 2.714 -13.517 -6.142 1.00 0.00 C ATOM 230 C SER A 19 1.608 -12.788 -5.386 1.00 0.00 C ATOM 231 O SER A 19 1.085 -11.776 -5.853 1.00 0.00 O ATOM 232 CB SER A 19 2.282 -14.955 -6.439 1.00 0.00 C ATOM 233 OG SER A 19 3.152 -15.565 -7.377 1.00 0.00 O ATOM 0 H SER A 19 4.008 -14.221 -4.650 1.00 0.00 H new ATOM 0 HA SER A 19 2.891 -12.996 -7.083 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.274 -15.534 -5.515 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.263 -14.959 -6.827 1.00 0.00 H new ATOM 0 HG SER A 19 2.856 -16.483 -7.549 1.00 0.00 H new ATOM 239 N ALA A 20 1.257 -13.309 -4.215 1.00 0.00 N ATOM 240 CA ALA A 20 0.215 -12.708 -3.393 1.00 0.00 C ATOM 241 C ALA A 20 0.695 -11.404 -2.765 1.00 0.00 C ATOM 242 O ALA A 20 0.171 -10.324 -3.040 1.00 0.00 O ATOM 243 CB ALA A 20 -0.234 -13.682 -2.314 1.00 0.00 C ATOM 0 H ALA A 20 1.680 -14.147 -3.814 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.634 -12.480 -4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.013 -13.219 -1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.626 -14.586 -2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.615 -13.939 -1.680 1.00 0.00 H new ATOM 249 N PRO A 21 1.715 -11.504 -1.900 1.00 0.00 N ATOM 250 CA PRO A 21 2.288 -10.342 -1.214 1.00 0.00 C ATOM 251 C PRO A 21 3.055 -9.428 -2.165 1.00 0.00 C ATOM 252 O PRO A 21 3.518 -9.845 -3.227 1.00 0.00 O ATOM 253 CB PRO A 21 3.239 -10.967 -0.190 1.00 0.00 C ATOM 254 CG PRO A 21 3.601 -12.291 -0.769 1.00 0.00 C ATOM 255 CD PRO A 21 2.388 -12.759 -1.524 1.00 0.00 C ATOM 0 HA PRO A 21 1.518 -9.710 -0.771 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.122 -10.346 -0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.757 -11.078 0.782 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.463 -12.205 -1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.870 -12.999 0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.662 -13.346 -2.400 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.748 -13.389 -0.906 1.00 0.00 H new ATOM 263 N PRO A 22 3.195 -8.152 -1.776 1.00 0.00 N ATOM 264 CA PRO A 22 2.648 -7.644 -0.514 1.00 0.00 C ATOM 265 C PRO A 22 1.125 -7.576 -0.528 1.00 0.00 C ATOM 266 O PRO A 22 0.525 -7.115 -1.498 1.00 0.00 O ATOM 267 CB PRO A 22 3.246 -6.239 -0.408 1.00 0.00 C ATOM 268 CG PRO A 22 3.528 -5.841 -1.816 1.00 0.00 C ATOM 269 CD PRO A 22 3.897 -7.106 -2.539 1.00 0.00 C ATOM 0 HA PRO A 22 2.895 -8.291 0.327 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.550 -5.547 0.067 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.155 -6.240 0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.656 -5.372 -2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.340 -5.115 -1.861 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.574 -7.083 -3.580 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.975 -7.267 -2.543 1.00 0.00 H new ATOM 277 N GLN A 23 0.507 -8.037 0.554 1.00 0.00 N ATOM 278 CA GLN A 23 -0.947 -8.028 0.665 1.00 0.00 C ATOM 279 C GLN A 23 -1.389 -7.406 1.986 1.00 0.00 C ATOM 280 O GLN A 23 -0.567 -6.904 2.754 1.00 0.00 O ATOM 281 CB GLN A 23 -1.498 -9.450 0.548 1.00 0.00 C ATOM 282 CG GLN A 23 -0.617 -10.500 1.205 1.00 0.00 C ATOM 283 CD GLN A 23 -1.125 -11.910 0.983 1.00 0.00 C ATOM 284 OE1 GLN A 23 -2.306 -12.121 0.705 1.00 0.00 O ATOM 285 NE2 GLN A 23 -0.234 -12.887 1.104 1.00 0.00 N ATOM 0 H GLN A 23 0.990 -8.421 1.366 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.344 -7.424 -0.151 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.489 -9.485 1.000 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.620 -9.698 -0.506 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.396 -10.417 0.811 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.560 -10.303 2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.735 -12.668 1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.518 -13.857 0.965 1.00 0.00 H new ATOM 294 N LYS A 24 -2.691 -7.442 2.245 1.00 0.00 N ATOM 295 CA LYS A 24 -3.243 -6.884 3.474 1.00 0.00 C ATOM 296 C LYS A 24 -2.663 -5.500 3.751 1.00 0.00 C ATOM 297 O LYS A 24 -2.223 -5.212 4.864 1.00 0.00 O ATOM 298 CB LYS A 24 -2.958 -7.814 4.654 1.00 0.00 C ATOM 299 CG LYS A 24 -3.401 -9.248 4.420 1.00 0.00 C ATOM 300 CD LYS A 24 -3.178 -10.109 5.652 1.00 0.00 C ATOM 301 CE LYS A 24 -1.808 -10.770 5.630 1.00 0.00 C ATOM 302 NZ LYS A 24 -1.816 -12.086 6.327 1.00 0.00 N ATOM 0 H LYS A 24 -3.385 -7.852 1.620 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.321 -6.788 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.889 -7.803 4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.461 -7.427 5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.457 -9.264 4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.850 -9.667 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.273 -9.495 6.548 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.952 -10.875 5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.488 -10.908 4.597 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.080 -10.112 6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.864 -12.504 6.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.097 -11.952 7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.492 -12.723 5.859 1.00 0.00 H new ATOM 316 N VAL A 25 -2.667 -4.647 2.732 1.00 0.00 N ATOM 317 CA VAL A 25 -2.144 -3.293 2.867 1.00 0.00 C ATOM 318 C VAL A 25 -3.177 -2.365 3.498 1.00 0.00 C ATOM 319 O VAL A 25 -4.193 -2.042 2.884 1.00 0.00 O ATOM 320 CB VAL A 25 -1.719 -2.717 1.503 1.00 0.00 C ATOM 321 CG1 VAL A 25 -1.084 -1.345 1.677 1.00 0.00 C ATOM 322 CG2 VAL A 25 -0.765 -3.669 0.797 1.00 0.00 C ATOM 0 H VAL A 25 -3.027 -4.870 1.804 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.270 -3.355 3.516 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.608 -2.604 0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.790 -0.954 0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.802 -0.667 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.204 -1.430 2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.475 -3.246 -0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.123 -3.816 1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.259 -4.628 0.638 1.00 0.00 H new ATOM 332 N MET A 26 -2.908 -1.940 4.729 1.00 0.00 N ATOM 333 CA MET A 26 -3.813 -1.048 5.443 1.00 0.00 C ATOM 334 C MET A 26 -3.229 0.358 5.536 1.00 0.00 C ATOM 335 O MET A 26 -2.192 0.569 6.166 1.00 0.00 O ATOM 336 CB MET A 26 -4.096 -1.589 6.846 1.00 0.00 C ATOM 337 CG MET A 26 -4.984 -2.822 6.853 1.00 0.00 C ATOM 338 SD MET A 26 -5.270 -3.462 8.515 1.00 0.00 S ATOM 339 CE MET A 26 -5.987 -5.061 8.143 1.00 0.00 C ATOM 0 H MET A 26 -2.071 -2.199 5.252 1.00 0.00 H new ATOM 0 HA MET A 26 -4.748 -0.998 4.886 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.150 -1.830 7.332 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.569 -0.807 7.440 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.941 -2.578 6.392 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.525 -3.599 6.242 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.219 -5.581 9.073 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.901 -4.924 7.565 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.277 -5.652 7.564 1.00 0.00 H new ATOM 349 N CYS A 27 -3.901 1.316 4.906 1.00 0.00 N ATOM 350 CA CYS A 27 -3.447 2.702 4.917 1.00 0.00 C ATOM 351 C CYS A 27 -4.303 3.547 5.855 1.00 0.00 C ATOM 352 O CYS A 27 -5.496 3.293 6.022 1.00 0.00 O ATOM 353 CB CYS A 27 -3.489 3.286 3.504 1.00 0.00 C ATOM 354 SG CYS A 27 -2.606 2.300 2.272 1.00 0.00 S ATOM 0 H CYS A 27 -4.762 1.158 4.382 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.419 2.719 5.279 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.529 3.387 3.195 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.063 4.289 3.524 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.873 2.751 1.082 1.00 0.00 H new ATOM 360 N VAL A 28 -3.686 4.552 6.467 1.00 0.00 N ATOM 361 CA VAL A 28 -4.391 5.435 7.389 1.00 0.00 C ATOM 362 C VAL A 28 -3.866 6.863 7.293 1.00 0.00 C ATOM 363 O VAL A 28 -2.656 7.092 7.296 1.00 0.00 O ATOM 364 CB VAL A 28 -4.258 4.947 8.844 1.00 0.00 C ATOM 365 CG1 VAL A 28 -5.081 3.687 9.063 1.00 0.00 C ATOM 366 CG2 VAL A 28 -2.798 4.708 9.194 1.00 0.00 C ATOM 0 H VAL A 28 -2.699 4.776 6.341 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.442 5.418 7.102 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.644 5.723 9.505 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.974 3.358 10.097 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.130 3.897 8.856 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.729 2.902 8.394 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.723 4.364 10.225 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.383 3.952 8.528 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.240 5.637 9.080 1.00 0.00 H new ATOM 376 N SER A 29 -4.784 7.820 7.209 1.00 0.00 N ATOM 377 CA SER A 29 -4.413 9.227 7.109 1.00 0.00 C ATOM 378 C SER A 29 -3.845 9.735 8.430 1.00 0.00 C ATOM 379 O SER A 29 -4.578 9.937 9.397 1.00 0.00 O ATOM 380 CB SER A 29 -5.626 10.068 6.706 1.00 0.00 C ATOM 381 OG SER A 29 -6.617 10.052 7.719 1.00 0.00 O ATOM 0 H SER A 29 -5.789 7.647 7.208 1.00 0.00 H new ATOM 0 HA SER A 29 -3.643 9.320 6.343 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.313 11.095 6.515 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.046 9.684 5.776 1.00 0.00 H new ATOM 0 HG SER A 29 -6.186 10.005 8.598 1.00 0.00 H new ATOM 387 N MET A 30 -2.532 9.939 8.462 1.00 0.00 N ATOM 388 CA MET A 30 -1.863 10.424 9.665 1.00 0.00 C ATOM 389 C MET A 30 -2.380 11.806 10.054 1.00 0.00 C ATOM 390 O MET A 30 -2.703 12.054 11.214 1.00 0.00 O ATOM 391 CB MET A 30 -0.350 10.475 9.447 1.00 0.00 C ATOM 392 CG MET A 30 0.341 9.139 9.668 1.00 0.00 C ATOM 393 SD MET A 30 0.543 8.742 11.415 1.00 0.00 S ATOM 394 CE MET A 30 -0.799 7.581 11.657 1.00 0.00 C ATOM 0 H MET A 30 -1.910 9.776 7.670 1.00 0.00 H new ATOM 0 HA MET A 30 -2.082 9.731 10.478 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.149 10.815 8.431 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.081 11.214 10.122 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.237 8.351 9.185 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.319 9.157 9.188 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.412 7.903 12.499 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.412 7.541 10.757 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.391 6.591 11.863 1.00 0.00 H new ATOM 404 N GLY A 31 -2.454 12.702 9.074 1.00 0.00 N ATOM 405 CA GLY A 31 -2.931 14.048 9.335 1.00 0.00 C ATOM 406 C GLY A 31 -3.740 14.610 8.183 1.00 0.00 C ATOM 407 O GLY A 31 -4.811 14.097 7.860 1.00 0.00 O ATOM 0 H GLY A 31 -2.192 12.520 8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.543 14.045 10.237 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.080 14.700 9.530 1.00 0.00 H new ATOM 411 N SER A 32 -3.227 15.668 7.563 1.00 0.00 N ATOM 412 CA SER A 32 -3.912 16.304 6.444 1.00 0.00 C ATOM 413 C SER A 32 -3.085 16.193 5.167 1.00 0.00 C ATOM 414 O SER A 32 -3.624 15.994 4.078 1.00 0.00 O ATOM 415 CB SER A 32 -4.191 17.775 6.758 1.00 0.00 C ATOM 416 OG SER A 32 -3.027 18.563 6.583 1.00 0.00 O ATOM 0 H SER A 32 -2.340 16.103 7.817 1.00 0.00 H new ATOM 0 HA SER A 32 -4.859 15.787 6.289 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.985 18.144 6.109 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.548 17.870 7.784 1.00 0.00 H new ATOM 0 HG SER A 32 -3.232 19.499 6.788 1.00 0.00 H new ATOM 422 N THR A 33 -1.769 16.324 5.309 1.00 0.00 N ATOM 423 CA THR A 33 -0.865 16.240 4.168 1.00 0.00 C ATOM 424 C THR A 33 0.092 15.063 4.310 1.00 0.00 C ATOM 425 O THR A 33 1.081 14.961 3.584 1.00 0.00 O ATOM 426 CB THR A 33 -0.048 17.535 4.003 1.00 0.00 C ATOM 427 OG1 THR A 33 0.870 17.677 5.093 1.00 0.00 O ATOM 428 CG2 THR A 33 -0.963 18.749 3.942 1.00 0.00 C ATOM 0 H THR A 33 -1.306 16.489 6.203 1.00 0.00 H new ATOM 0 HA THR A 33 -1.485 16.095 3.283 1.00 0.00 H new ATOM 0 HB THR A 33 0.507 17.471 3.067 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.387 18.502 4.980 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.363 19.651 3.825 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.641 18.652 3.094 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.542 18.815 4.863 1.00 0.00 H new ATOM 436 N THR A 34 -0.208 14.172 5.251 1.00 0.00 N ATOM 437 CA THR A 34 0.626 13.001 5.489 1.00 0.00 C ATOM 438 C THR A 34 -0.220 11.739 5.614 1.00 0.00 C ATOM 439 O THR A 34 -1.312 11.765 6.182 1.00 0.00 O ATOM 440 CB THR A 34 1.474 13.165 6.764 1.00 0.00 C ATOM 441 OG1 THR A 34 2.383 14.261 6.611 1.00 0.00 O ATOM 442 CG2 THR A 34 2.252 11.893 7.065 1.00 0.00 C ATOM 0 H THR A 34 -1.023 14.240 5.861 1.00 0.00 H new ATOM 0 HA THR A 34 1.290 12.906 4.630 1.00 0.00 H new ATOM 0 HB THR A 34 0.801 13.366 7.597 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.917 14.359 7.427 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.843 12.034 7.970 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.556 11.067 7.211 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.915 11.666 6.230 1.00 0.00 H new ATOM 450 N VAL A 35 0.291 10.634 5.080 1.00 0.00 N ATOM 451 CA VAL A 35 -0.417 9.361 5.134 1.00 0.00 C ATOM 452 C VAL A 35 0.522 8.226 5.526 1.00 0.00 C ATOM 453 O VAL A 35 1.706 8.241 5.189 1.00 0.00 O ATOM 454 CB VAL A 35 -1.072 9.026 3.781 1.00 0.00 C ATOM 455 CG1 VAL A 35 -1.758 7.669 3.841 1.00 0.00 C ATOM 456 CG2 VAL A 35 -2.058 10.114 3.383 1.00 0.00 C ATOM 0 H VAL A 35 1.193 10.595 4.605 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.195 9.463 5.891 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.292 8.979 3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.215 7.449 2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.023 6.900 4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.528 7.684 4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.512 9.861 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.836 10.196 4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.534 11.066 3.297 1.00 0.00 H new ATOM 466 N ARG A 36 -0.014 7.242 6.241 1.00 0.00 N ATOM 467 CA ARG A 36 0.776 6.098 6.680 1.00 0.00 C ATOM 468 C ARG A 36 0.222 4.800 6.101 1.00 0.00 C ATOM 469 O ARG A 36 -0.867 4.358 6.470 1.00 0.00 O ATOM 470 CB ARG A 36 0.795 6.021 8.208 1.00 0.00 C ATOM 471 CG ARG A 36 1.364 4.718 8.745 1.00 0.00 C ATOM 472 CD ARG A 36 1.301 4.666 10.263 1.00 0.00 C ATOM 473 NE ARG A 36 2.191 5.645 10.882 1.00 0.00 N ATOM 474 CZ ARG A 36 3.492 5.445 11.062 1.00 0.00 C ATOM 475 NH1 ARG A 36 4.051 4.308 10.672 1.00 0.00 N ATOM 476 NH2 ARG A 36 4.236 6.384 11.632 1.00 0.00 N ATOM 0 H ARG A 36 -0.992 7.214 6.529 1.00 0.00 H new ATOM 0 HA ARG A 36 1.795 6.231 6.317 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.382 6.852 8.598 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.221 6.146 8.582 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.809 3.878 8.328 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.398 4.610 8.419 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.277 4.849 10.590 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.570 3.666 10.603 1.00 0.00 H new ATOM 0 HE ARG A 36 1.792 6.531 11.193 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.482 3.584 10.233 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.050 4.157 10.811 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.809 7.260 11.932 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.235 6.230 11.770 1.00 0.00 H new ATOM 490 N VAL A 37 0.977 4.193 5.191 1.00 0.00 N ATOM 491 CA VAL A 37 0.562 2.945 4.562 1.00 0.00 C ATOM 492 C VAL A 37 1.422 1.778 5.035 1.00 0.00 C ATOM 493 O VAL A 37 2.650 1.842 4.995 1.00 0.00 O ATOM 494 CB VAL A 37 0.642 3.037 3.026 1.00 0.00 C ATOM 495 CG1 VAL A 37 1.930 3.726 2.599 1.00 0.00 C ATOM 496 CG2 VAL A 37 0.536 1.653 2.404 1.00 0.00 C ATOM 0 H VAL A 37 1.880 4.546 4.873 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.473 2.772 4.855 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.197 3.635 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.969 3.782 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.959 4.733 3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.785 3.157 2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.594 1.736 1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.353 1.029 2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.416 1.201 2.683 1.00 0.00 H new ATOM 506 N SER A 38 0.767 0.712 5.484 1.00 0.00 N ATOM 507 CA SER A 38 1.471 -0.469 5.969 1.00 0.00 C ATOM 508 C SER A 38 0.935 -1.733 5.303 1.00 0.00 C ATOM 509 O SER A 38 -0.237 -1.803 4.932 1.00 0.00 O ATOM 510 CB SER A 38 1.334 -0.583 7.488 1.00 0.00 C ATOM 511 OG SER A 38 -0.027 -0.552 7.881 1.00 0.00 O ATOM 0 H SER A 38 -0.250 0.642 5.522 1.00 0.00 H new ATOM 0 HA SER A 38 2.525 -0.363 5.713 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.793 -1.511 7.829 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.873 0.234 7.967 1.00 0.00 H new ATOM 0 HG SER A 38 -0.582 -0.292 7.116 1.00 0.00 H new ATOM 517 N TRP A 39 1.801 -2.729 5.154 1.00 0.00 N ATOM 518 CA TRP A 39 1.415 -3.990 4.532 1.00 0.00 C ATOM 519 C TRP A 39 1.879 -5.175 5.373 1.00 0.00 C ATOM 520 O TRP A 39 2.667 -5.017 6.305 1.00 0.00 O ATOM 521 CB TRP A 39 2.002 -4.089 3.123 1.00 0.00 C ATOM 522 CG TRP A 39 3.427 -3.632 3.039 1.00 0.00 C ATOM 523 CD1 TRP A 39 4.537 -4.422 2.955 1.00 0.00 C ATOM 524 CD2 TRP A 39 3.893 -2.278 3.033 1.00 0.00 C ATOM 525 NE1 TRP A 39 5.666 -3.641 2.898 1.00 0.00 N ATOM 526 CE2 TRP A 39 5.298 -2.322 2.943 1.00 0.00 C ATOM 527 CE3 TRP A 39 3.262 -1.033 3.094 1.00 0.00 C ATOM 528 CZ2 TRP A 39 6.079 -1.170 2.913 1.00 0.00 C ATOM 529 CZ3 TRP A 39 4.038 0.110 3.064 1.00 0.00 C ATOM 530 CH2 TRP A 39 5.434 0.035 2.974 1.00 0.00 C ATOM 0 H TRP A 39 2.775 -2.688 5.455 1.00 0.00 H new ATOM 0 HA TRP A 39 0.327 -4.017 4.467 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.939 -5.123 2.783 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.396 -3.492 2.442 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.529 -5.502 2.936 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.623 -3.987 2.833 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.186 -0.965 3.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.155 -1.226 2.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.560 1.077 3.111 1.00 0.00 H new ATOM 0 HH2 TRP A 39 6.013 0.947 2.952 1.00 0.00 H new ATOM 541 N VAL A 40 1.385 -6.363 5.037 1.00 0.00 N ATOM 542 CA VAL A 40 1.750 -7.575 5.761 1.00 0.00 C ATOM 543 C VAL A 40 3.244 -7.854 5.646 1.00 0.00 C ATOM 544 O VAL A 40 3.846 -7.723 4.580 1.00 0.00 O ATOM 545 CB VAL A 40 0.969 -8.796 5.240 1.00 0.00 C ATOM 546 CG1 VAL A 40 1.276 -9.039 3.770 1.00 0.00 C ATOM 547 CG2 VAL A 40 1.293 -10.029 6.071 1.00 0.00 C ATOM 0 H VAL A 40 0.731 -6.512 4.268 1.00 0.00 H new ATOM 0 HA VAL A 40 1.494 -7.409 6.807 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.097 -8.591 5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.715 -9.906 3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.990 -8.162 3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.343 -9.223 3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.733 -10.883 5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.361 -10.239 6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.018 -9.850 7.110 1.00 0.00 H new ATOM 656 N ASN A 48 8.242 -17.019 -0.893 1.00 0.00 N ATOM 657 CA ASN A 48 8.556 -17.259 -2.296 1.00 0.00 C ATOM 658 C ASN A 48 10.020 -16.944 -2.588 1.00 0.00 C ATOM 659 O ASN A 48 10.699 -17.691 -3.290 1.00 0.00 O ATOM 660 CB ASN A 48 7.652 -16.414 -3.195 1.00 0.00 C ATOM 661 CG ASN A 48 6.180 -16.691 -2.959 1.00 0.00 C ATOM 662 OD1 ASN A 48 5.782 -17.106 -1.870 1.00 0.00 O ATOM 663 ND2 ASN A 48 5.363 -16.462 -3.980 1.00 0.00 N ATOM 0 HA ASN A 48 8.381 -18.314 -2.506 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.853 -15.357 -3.018 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.894 -16.614 -4.239 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.362 -16.630 -3.880 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.736 -16.118 -4.865 1.00 0.00 H new ATOM 670 N GLY A 49 10.500 -15.830 -2.043 1.00 0.00 N ATOM 671 CA GLY A 49 11.880 -15.435 -2.255 1.00 0.00 C ATOM 672 C GLY A 49 12.418 -14.578 -1.127 1.00 0.00 C ATOM 673 O GLY A 49 12.295 -14.933 0.046 1.00 0.00 O ATOM 0 H GLY A 49 9.957 -15.194 -1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.498 -16.327 -2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.957 -14.885 -3.193 1.00 0.00 H new ATOM 677 N VAL A 50 13.019 -13.446 -1.480 1.00 0.00 N ATOM 678 CA VAL A 50 13.579 -12.536 -0.488 1.00 0.00 C ATOM 679 C VAL A 50 13.308 -11.083 -0.860 1.00 0.00 C ATOM 680 O VAL A 50 13.702 -10.622 -1.932 1.00 0.00 O ATOM 681 CB VAL A 50 15.098 -12.740 -0.333 1.00 0.00 C ATOM 682 CG1 VAL A 50 15.816 -12.416 -1.634 1.00 0.00 C ATOM 683 CG2 VAL A 50 15.635 -11.890 0.809 1.00 0.00 C ATOM 0 H VAL A 50 13.130 -13.137 -2.446 1.00 0.00 H new ATOM 0 HA VAL A 50 13.091 -12.762 0.460 1.00 0.00 H new ATOM 0 HB VAL A 50 15.285 -13.787 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.888 -12.566 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.450 -13.072 -2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.625 -11.378 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 50 16.710 -12.046 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.438 -10.838 0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.143 -12.176 1.738 1.00 0.00 H new ATOM 693 N ILE A 51 12.633 -10.365 0.031 1.00 0.00 N ATOM 694 CA ILE A 51 12.311 -8.963 -0.203 1.00 0.00 C ATOM 695 C ILE A 51 13.571 -8.104 -0.214 1.00 0.00 C ATOM 696 O ILE A 51 14.275 -8.002 0.791 1.00 0.00 O ATOM 697 CB ILE A 51 11.343 -8.421 0.865 1.00 0.00 C ATOM 698 CG1 ILE A 51 10.129 -9.343 0.999 1.00 0.00 C ATOM 699 CG2 ILE A 51 10.905 -7.007 0.515 1.00 0.00 C ATOM 700 CD1 ILE A 51 9.274 -9.401 -0.249 1.00 0.00 C ATOM 0 H ILE A 51 12.298 -10.731 0.922 1.00 0.00 H new ATOM 0 HA ILE A 51 11.829 -8.909 -1.179 1.00 0.00 H new ATOM 0 HB ILE A 51 11.862 -8.393 1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.472 -10.349 1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.516 -9.004 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.221 -6.638 1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.779 -6.357 0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.401 -7.011 -0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.432 -10.073 -0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.902 -8.403 -0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.872 -9.769 -1.083 1.00 0.00 H new ATOM 712 N THR A 52 13.848 -7.484 -1.357 1.00 0.00 N ATOM 713 CA THR A 52 15.022 -6.633 -1.499 1.00 0.00 C ATOM 714 C THR A 52 14.719 -5.202 -1.071 1.00 0.00 C ATOM 715 O THR A 52 15.536 -4.554 -0.417 1.00 0.00 O ATOM 716 CB THR A 52 15.537 -6.623 -2.951 1.00 0.00 C ATOM 717 OG1 THR A 52 16.170 -7.871 -3.255 1.00 0.00 O ATOM 718 CG2 THR A 52 16.520 -5.483 -3.170 1.00 0.00 C ATOM 0 H THR A 52 13.275 -7.556 -2.198 1.00 0.00 H new ATOM 0 HA THR A 52 15.793 -7.049 -0.850 1.00 0.00 H new ATOM 0 HB THR A 52 14.684 -6.478 -3.614 1.00 0.00 H new ATOM 0 HG1 THR A 52 17.142 -7.769 -3.190 1.00 0.00 H new ATOM 0 HG21 THR A 52 16.869 -5.497 -4.202 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.026 -4.533 -2.967 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.370 -5.601 -2.498 1.00 0.00 H new ATOM 726 N GLN A 53 13.539 -4.715 -1.442 1.00 0.00 N ATOM 727 CA GLN A 53 13.129 -3.360 -1.095 1.00 0.00 C ATOM 728 C GLN A 53 11.634 -3.166 -1.330 1.00 0.00 C ATOM 729 O GLN A 53 10.981 -4.001 -1.957 1.00 0.00 O ATOM 730 CB GLN A 53 13.922 -2.339 -1.912 1.00 0.00 C ATOM 731 CG GLN A 53 13.719 -2.471 -3.413 1.00 0.00 C ATOM 732 CD GLN A 53 13.892 -1.153 -4.143 1.00 0.00 C ATOM 733 OE1 GLN A 53 12.944 -0.623 -4.723 1.00 0.00 O ATOM 734 NE2 GLN A 53 15.107 -0.618 -4.118 1.00 0.00 N ATOM 0 H GLN A 53 12.851 -5.239 -1.983 1.00 0.00 H new ATOM 0 HA GLN A 53 13.335 -3.206 -0.036 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.633 -1.335 -1.602 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.983 -2.450 -1.686 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.428 -3.197 -3.809 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.720 -2.862 -3.608 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.863 -1.093 -3.625 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.284 0.268 -4.592 1.00 0.00 H new ATOM 743 N TYR A 54 11.099 -2.061 -0.824 1.00 0.00 N ATOM 744 CA TYR A 54 9.681 -1.759 -0.977 1.00 0.00 C ATOM 745 C TYR A 54 9.482 -0.430 -1.698 1.00 0.00 C ATOM 746 O TYR A 54 10.050 0.591 -1.310 1.00 0.00 O ATOM 747 CB TYR A 54 8.997 -1.718 0.391 1.00 0.00 C ATOM 748 CG TYR A 54 8.620 -3.083 0.920 1.00 0.00 C ATOM 749 CD1 TYR A 54 7.527 -3.771 0.407 1.00 0.00 C ATOM 750 CD2 TYR A 54 9.354 -3.684 1.935 1.00 0.00 C ATOM 751 CE1 TYR A 54 7.178 -5.019 0.888 1.00 0.00 C ATOM 752 CE2 TYR A 54 9.013 -4.931 2.421 1.00 0.00 C ATOM 753 CZ TYR A 54 7.925 -5.595 1.894 1.00 0.00 C ATOM 754 OH TYR A 54 7.581 -6.837 2.377 1.00 0.00 O ATOM 0 H TYR A 54 11.626 -1.359 -0.304 1.00 0.00 H new ATOM 0 HA TYR A 54 9.230 -2.548 -1.578 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.661 -1.231 1.105 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.099 -1.104 0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.940 -3.323 -0.381 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.206 -3.167 2.351 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.325 -5.540 0.478 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.595 -5.384 3.210 1.00 0.00 H new ATOM 0 HH TYR A 54 8.209 -7.099 3.082 1.00 0.00 H new ATOM 764 N SER A 55 8.669 -0.450 -2.749 1.00 0.00 N ATOM 765 CA SER A 55 8.395 0.752 -3.528 1.00 0.00 C ATOM 766 C SER A 55 6.959 1.221 -3.317 1.00 0.00 C ATOM 767 O SER A 55 6.011 0.458 -3.501 1.00 0.00 O ATOM 768 CB SER A 55 8.645 0.490 -5.014 1.00 0.00 C ATOM 769 OG SER A 55 7.778 -0.517 -5.507 1.00 0.00 O ATOM 0 H SER A 55 8.188 -1.286 -3.081 1.00 0.00 H new ATOM 0 HA SER A 55 9.069 1.538 -3.186 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.497 1.410 -5.579 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.681 0.187 -5.164 1.00 0.00 H new ATOM 0 HG SER A 55 8.270 -1.099 -6.124 1.00 0.00 H new ATOM 775 N VAL A 56 6.807 2.483 -2.927 1.00 0.00 N ATOM 776 CA VAL A 56 5.487 3.056 -2.691 1.00 0.00 C ATOM 777 C VAL A 56 5.164 4.135 -3.719 1.00 0.00 C ATOM 778 O VAL A 56 6.063 4.764 -4.276 1.00 0.00 O ATOM 779 CB VAL A 56 5.382 3.660 -1.278 1.00 0.00 C ATOM 780 CG1 VAL A 56 3.955 4.102 -0.991 1.00 0.00 C ATOM 781 CG2 VAL A 56 5.859 2.661 -0.235 1.00 0.00 C ATOM 0 H VAL A 56 7.581 3.128 -2.768 1.00 0.00 H new ATOM 0 HA VAL A 56 4.767 2.243 -2.785 1.00 0.00 H new ATOM 0 HB VAL A 56 6.026 4.538 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.900 4.526 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.653 4.854 -1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.287 3.243 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.778 3.104 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.243 1.763 -0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.899 2.399 -0.431 1.00 0.00 H new ATOM 791 N ALA A 57 3.875 4.344 -3.965 1.00 0.00 N ATOM 792 CA ALA A 57 3.434 5.349 -4.923 1.00 0.00 C ATOM 793 C ALA A 57 2.065 5.905 -4.545 1.00 0.00 C ATOM 794 O ALA A 57 1.196 5.173 -4.071 1.00 0.00 O ATOM 795 CB ALA A 57 3.397 4.760 -6.326 1.00 0.00 C ATOM 0 H ALA A 57 3.118 3.830 -3.514 1.00 0.00 H new ATOM 0 HA ALA A 57 4.149 6.172 -4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.066 5.522 -7.032 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.394 4.417 -6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.705 3.918 -6.349 1.00 0.00 H new ATOM 801 N TYR A 58 1.880 7.203 -4.756 1.00 0.00 N ATOM 802 CA TYR A 58 0.618 7.858 -4.434 1.00 0.00 C ATOM 803 C TYR A 58 0.217 8.839 -5.531 1.00 0.00 C ATOM 804 O TYR A 58 1.060 9.541 -6.088 1.00 0.00 O ATOM 805 CB TYR A 58 0.726 8.589 -3.095 1.00 0.00 C ATOM 806 CG TYR A 58 1.947 9.474 -2.984 1.00 0.00 C ATOM 807 CD1 TYR A 58 3.202 8.931 -2.738 1.00 0.00 C ATOM 808 CD2 TYR A 58 1.846 10.852 -3.126 1.00 0.00 C ATOM 809 CE1 TYR A 58 4.321 9.735 -2.636 1.00 0.00 C ATOM 810 CE2 TYR A 58 2.959 11.664 -3.027 1.00 0.00 C ATOM 811 CZ TYR A 58 4.194 11.101 -2.781 1.00 0.00 C ATOM 812 OH TYR A 58 5.306 11.906 -2.681 1.00 0.00 O ATOM 0 H TYR A 58 2.588 7.823 -5.149 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.152 7.090 -4.360 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.167 9.197 -2.950 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.746 7.854 -2.290 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.305 7.862 -2.625 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.880 11.296 -3.317 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.289 9.297 -2.444 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.863 12.734 -3.142 1.00 0.00 H new ATOM 0 HH TYR A 58 5.252 12.623 -3.347 1.00 0.00 H new ATOM 822 N GLU A 59 -1.076 8.882 -5.835 1.00 0.00 N ATOM 823 CA GLU A 59 -1.590 9.776 -6.865 1.00 0.00 C ATOM 824 C GLU A 59 -3.019 10.207 -6.550 1.00 0.00 C ATOM 825 O GLU A 59 -3.896 9.371 -6.332 1.00 0.00 O ATOM 826 CB GLU A 59 -1.541 9.095 -8.234 1.00 0.00 C ATOM 827 CG GLU A 59 -1.872 10.025 -9.389 1.00 0.00 C ATOM 828 CD GLU A 59 -3.360 10.088 -9.679 1.00 0.00 C ATOM 829 OE1 GLU A 59 -4.073 9.122 -9.337 1.00 0.00 O ATOM 830 OE2 GLU A 59 -3.810 11.105 -10.248 1.00 0.00 O ATOM 0 H GLU A 59 -1.787 8.308 -5.382 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.958 10.664 -6.886 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.545 8.679 -8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.241 8.259 -8.240 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.507 11.026 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.345 9.690 -10.283 1.00 0.00 H new ATOM 837 N ALA A 60 -3.245 11.516 -6.527 1.00 0.00 N ATOM 838 CA ALA A 60 -4.568 12.058 -6.239 1.00 0.00 C ATOM 839 C ALA A 60 -5.601 11.541 -7.235 1.00 0.00 C ATOM 840 O ALA A 60 -5.448 11.705 -8.445 1.00 0.00 O ATOM 841 CB ALA A 60 -4.530 13.579 -6.257 1.00 0.00 C ATOM 0 H ALA A 60 -2.530 12.221 -6.704 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.862 11.724 -5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.524 13.970 -6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.828 13.934 -5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.211 13.923 -7.241 1.00 0.00 H new ATOM 847 N VAL A 61 -6.653 10.915 -6.717 1.00 0.00 N ATOM 848 CA VAL A 61 -7.712 10.374 -7.560 1.00 0.00 C ATOM 849 C VAL A 61 -8.712 11.458 -7.949 1.00 0.00 C ATOM 850 O VAL A 61 -9.181 11.505 -9.086 1.00 0.00 O ATOM 851 CB VAL A 61 -8.462 9.229 -6.854 1.00 0.00 C ATOM 852 CG1 VAL A 61 -9.243 9.757 -5.661 1.00 0.00 C ATOM 853 CG2 VAL A 61 -9.383 8.514 -7.831 1.00 0.00 C ATOM 0 H VAL A 61 -6.794 10.770 -5.717 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.234 9.985 -8.459 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.729 8.510 -6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.766 8.933 -5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.556 10.219 -4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.968 10.498 -5.999 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.905 7.708 -7.315 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.111 9.221 -8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.794 8.100 -8.649 1.00 0.00 H new ATOM 863 N ASP A 62 -9.034 12.327 -6.997 1.00 0.00 N ATOM 864 CA ASP A 62 -9.978 13.412 -7.240 1.00 0.00 C ATOM 865 C ASP A 62 -9.364 14.759 -6.873 1.00 0.00 C ATOM 866 O ASP A 62 -10.049 15.649 -6.372 1.00 0.00 O ATOM 867 CB ASP A 62 -11.263 13.187 -6.441 1.00 0.00 C ATOM 868 CG ASP A 62 -12.169 12.153 -7.079 1.00 0.00 C ATOM 869 OD1 ASP A 62 -11.644 11.156 -7.617 1.00 0.00 O ATOM 870 OD2 ASP A 62 -13.403 12.342 -7.041 1.00 0.00 O ATOM 0 H ASP A 62 -8.655 12.301 -6.050 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.218 13.421 -8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.008 12.868 -5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.801 14.131 -6.351 1.00 0.00 H new ATOM 875 N GLY A 63 -8.066 14.900 -7.124 1.00 0.00 N ATOM 876 CA GLY A 63 -7.381 16.141 -6.812 1.00 0.00 C ATOM 877 C GLY A 63 -7.137 16.993 -8.041 1.00 0.00 C ATOM 878 O GLY A 63 -7.682 16.721 -9.111 1.00 0.00 O ATOM 0 H GLY A 63 -7.477 14.177 -7.538 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.972 16.708 -6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.427 15.916 -6.335 1.00 0.00 H new ATOM 882 N GLU A 64 -6.318 18.029 -7.889 1.00 0.00 N ATOM 883 CA GLU A 64 -6.007 18.926 -8.996 1.00 0.00 C ATOM 884 C GLU A 64 -4.877 18.361 -9.852 1.00 0.00 C ATOM 885 O GLU A 64 -4.941 18.390 -11.081 1.00 0.00 O ATOM 886 CB GLU A 64 -5.619 20.308 -8.468 1.00 0.00 C ATOM 887 CG GLU A 64 -6.770 21.057 -7.817 1.00 0.00 C ATOM 888 CD GLU A 64 -6.414 22.490 -7.473 1.00 0.00 C ATOM 889 OE1 GLU A 64 -5.651 22.695 -6.505 1.00 0.00 O ATOM 890 OE2 GLU A 64 -6.898 23.406 -8.169 1.00 0.00 O ATOM 0 H GLU A 64 -5.858 18.268 -7.010 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.898 19.019 -9.616 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.813 20.197 -7.743 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.228 20.905 -9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.628 21.051 -8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.072 20.534 -6.910 1.00 0.00 H new ATOM 897 N ASP A 65 -3.843 17.848 -9.194 1.00 0.00 N ATOM 898 CA ASP A 65 -2.699 17.276 -9.893 1.00 0.00 C ATOM 899 C ASP A 65 -2.748 15.752 -9.859 1.00 0.00 C ATOM 900 O ASP A 65 -2.690 15.142 -8.791 1.00 0.00 O ATOM 901 CB ASP A 65 -1.393 17.770 -9.269 1.00 0.00 C ATOM 902 CG ASP A 65 -0.214 17.639 -10.213 1.00 0.00 C ATOM 903 OD1 ASP A 65 -0.008 16.533 -10.755 1.00 0.00 O ATOM 904 OD2 ASP A 65 0.504 18.642 -10.409 1.00 0.00 O ATOM 0 H ASP A 65 -3.774 17.817 -8.177 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.741 17.600 -10.933 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.506 18.814 -8.976 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.191 17.204 -8.360 1.00 0.00 H new ATOM 909 N ARG A 66 -2.857 15.142 -11.035 1.00 0.00 N ATOM 910 CA ARG A 66 -2.916 13.689 -11.140 1.00 0.00 C ATOM 911 C ARG A 66 -1.515 13.093 -11.232 1.00 0.00 C ATOM 912 O ARG A 66 -1.328 11.998 -11.761 1.00 0.00 O ATOM 913 CB ARG A 66 -3.738 13.278 -12.363 1.00 0.00 C ATOM 914 CG ARG A 66 -5.227 13.153 -12.082 1.00 0.00 C ATOM 915 CD ARG A 66 -5.867 14.514 -11.858 1.00 0.00 C ATOM 916 NE ARG A 66 -5.823 15.345 -13.058 1.00 0.00 N ATOM 917 CZ ARG A 66 -6.469 16.499 -13.177 1.00 0.00 C ATOM 918 NH1 ARG A 66 -7.203 16.958 -12.173 1.00 0.00 N ATOM 919 NH2 ARG A 66 -6.380 17.198 -14.301 1.00 0.00 N ATOM 0 H ARG A 66 -2.906 15.632 -11.928 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.397 13.304 -10.241 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.587 14.011 -13.155 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.366 12.324 -12.736 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.716 12.653 -12.918 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.381 12.528 -11.203 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.903 14.380 -11.548 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.354 15.026 -11.044 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.265 15.021 -13.848 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.273 16.424 -11.306 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.698 17.845 -12.267 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.815 16.849 -15.075 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.877 18.084 -14.391 1.00 0.00 H new ATOM 933 N GLY A 67 -0.531 13.822 -10.714 1.00 0.00 N ATOM 934 CA GLY A 67 0.840 13.350 -10.748 1.00 0.00 C ATOM 935 C GLY A 67 1.105 12.264 -9.725 1.00 0.00 C ATOM 936 O GLY A 67 0.997 12.496 -8.520 1.00 0.00 O ATOM 0 H GLY A 67 -0.660 14.732 -10.271 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.065 12.969 -11.744 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.514 14.187 -10.567 1.00 0.00 H new ATOM 940 N ARG A 68 1.451 11.073 -10.204 1.00 0.00 N ATOM 941 CA ARG A 68 1.729 9.946 -9.322 1.00 0.00 C ATOM 942 C ARG A 68 3.185 9.960 -8.864 1.00 0.00 C ATOM 943 O ARG A 68 4.104 9.871 -9.679 1.00 0.00 O ATOM 944 CB ARG A 68 1.419 8.627 -10.031 1.00 0.00 C ATOM 945 CG ARG A 68 1.858 7.398 -9.252 1.00 0.00 C ATOM 946 CD ARG A 68 2.183 6.237 -10.179 1.00 0.00 C ATOM 947 NE ARG A 68 0.990 5.477 -10.543 1.00 0.00 N ATOM 948 CZ ARG A 68 1.017 4.386 -11.299 1.00 0.00 C ATOM 949 NH1 ARG A 68 2.169 3.928 -11.769 1.00 0.00 N ATOM 950 NH2 ARG A 68 -0.111 3.749 -11.587 1.00 0.00 N ATOM 0 H ARG A 68 1.545 10.864 -11.198 1.00 0.00 H new ATOM 0 HA ARG A 68 1.089 10.038 -8.444 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.346 8.566 -10.214 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.909 8.624 -11.005 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.734 7.641 -8.651 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.069 7.103 -8.561 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.660 6.617 -11.082 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.900 5.575 -9.694 1.00 0.00 H new ATOM 0 HE ARG A 68 0.087 5.802 -10.198 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.039 4.414 -11.550 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.186 3.089 -12.349 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.000 4.098 -11.227 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.089 2.911 -12.168 1.00 0.00 H new ATOM 964 N HIS A 69 3.387 10.072 -7.555 1.00 0.00 N ATOM 965 CA HIS A 69 4.731 10.098 -6.989 1.00 0.00 C ATOM 966 C HIS A 69 5.216 8.685 -6.676 1.00 0.00 C ATOM 967 O HIS A 69 4.418 7.754 -6.568 1.00 0.00 O ATOM 968 CB HIS A 69 4.757 10.951 -5.720 1.00 0.00 C ATOM 969 CG HIS A 69 4.906 12.417 -5.987 1.00 0.00 C ATOM 970 ND1 HIS A 69 6.013 13.144 -5.603 1.00 0.00 N ATOM 971 CD2 HIS A 69 4.080 13.292 -6.607 1.00 0.00 C ATOM 972 CE1 HIS A 69 5.861 14.403 -5.972 1.00 0.00 C ATOM 973 NE2 HIS A 69 4.696 14.519 -6.584 1.00 0.00 N ATOM 0 H HIS A 69 2.638 10.146 -6.867 1.00 0.00 H new ATOM 0 HA HIS A 69 5.401 10.538 -7.727 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.837 10.784 -5.161 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.580 10.620 -5.086 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.116 13.067 -7.039 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.568 15.201 -5.802 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.316 15.380 -6.976 1.00 0.00 H new ATOM 982 N VAL A 70 6.528 8.533 -6.531 1.00 0.00 N ATOM 983 CA VAL A 70 7.119 7.235 -6.230 1.00 0.00 C ATOM 984 C VAL A 70 8.248 7.367 -5.214 1.00 0.00 C ATOM 985 O VAL A 70 9.192 8.131 -5.415 1.00 0.00 O ATOM 986 CB VAL A 70 7.664 6.558 -7.502 1.00 0.00 C ATOM 987 CG1 VAL A 70 8.185 5.164 -7.184 1.00 0.00 C ATOM 988 CG2 VAL A 70 6.590 6.503 -8.578 1.00 0.00 C ATOM 0 H VAL A 70 7.202 9.293 -6.617 1.00 0.00 H new ATOM 0 HA VAL A 70 6.326 6.616 -5.809 1.00 0.00 H new ATOM 0 HB VAL A 70 8.495 7.152 -7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.566 4.701 -8.095 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.987 5.234 -6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.375 4.556 -6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.992 6.022 -9.469 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.737 5.933 -8.211 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.270 7.515 -8.825 1.00 0.00 H new ATOM 998 N VAL A 71 8.145 6.616 -4.122 1.00 0.00 N ATOM 999 CA VAL A 71 9.158 6.648 -3.074 1.00 0.00 C ATOM 1000 C VAL A 71 10.278 5.654 -3.362 1.00 0.00 C ATOM 1001 O VAL A 71 10.026 4.474 -3.610 1.00 0.00 O ATOM 1002 CB VAL A 71 8.549 6.333 -1.695 1.00 0.00 C ATOM 1003 CG1 VAL A 71 9.632 6.307 -0.626 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.469 7.345 -1.347 1.00 0.00 C ATOM 0 H VAL A 71 7.370 5.978 -3.940 1.00 0.00 H new ATOM 0 HA VAL A 71 9.567 7.658 -3.060 1.00 0.00 H new ATOM 0 HB VAL A 71 8.090 5.345 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.183 6.083 0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.367 5.540 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.123 7.279 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.049 7.108 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.902 8.345 -1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.681 7.309 -2.099 1.00 0.00 H new ATOM 1014 N ASP A 72 11.514 6.137 -3.326 1.00 0.00 N ATOM 1015 CA ASP A 72 12.674 5.291 -3.582 1.00 0.00 C ATOM 1016 C ASP A 72 13.623 5.294 -2.388 1.00 0.00 C ATOM 1017 O ASP A 72 13.708 6.276 -1.652 1.00 0.00 O ATOM 1018 CB ASP A 72 13.411 5.764 -4.836 1.00 0.00 C ATOM 1019 CG ASP A 72 14.388 4.729 -5.358 1.00 0.00 C ATOM 1020 OD1 ASP A 72 13.930 3.699 -5.895 1.00 0.00 O ATOM 1021 OD2 ASP A 72 15.611 4.949 -5.229 1.00 0.00 O ATOM 0 H ASP A 72 11.739 7.111 -3.122 1.00 0.00 H new ATOM 0 HA ASP A 72 12.321 4.272 -3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.685 5.999 -5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.948 6.686 -4.612 1.00 0.00 H new ATOM 1026 N GLY A 73 14.334 4.186 -2.200 1.00 0.00 N ATOM 1027 CA GLY A 73 15.266 4.082 -1.093 1.00 0.00 C ATOM 1028 C GLY A 73 14.581 3.725 0.211 1.00 0.00 C ATOM 1029 O GLY A 73 14.808 4.368 1.236 1.00 0.00 O ATOM 0 H GLY A 73 14.281 3.359 -2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.017 3.326 -1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.793 5.029 -0.976 1.00 0.00 H new ATOM 1033 N ILE A 74 13.738 2.698 0.172 1.00 0.00 N ATOM 1034 CA ILE A 74 13.016 2.258 1.360 1.00 0.00 C ATOM 1035 C ILE A 74 13.566 0.933 1.877 1.00 0.00 C ATOM 1036 O ILE A 74 13.743 -0.018 1.116 1.00 0.00 O ATOM 1037 CB ILE A 74 11.510 2.101 1.078 1.00 0.00 C ATOM 1038 CG1 ILE A 74 10.886 3.459 0.751 1.00 0.00 C ATOM 1039 CG2 ILE A 74 10.812 1.464 2.270 1.00 0.00 C ATOM 1040 CD1 ILE A 74 9.486 3.361 0.188 1.00 0.00 C ATOM 0 H ILE A 74 13.538 2.156 -0.668 1.00 0.00 H new ATOM 0 HA ILE A 74 13.156 3.028 2.118 1.00 0.00 H new ATOM 0 HB ILE A 74 11.383 1.447 0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.863 4.067 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.522 3.979 0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.748 1.360 2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.242 0.481 2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.945 2.095 3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.107 4.361 -0.020 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.505 2.781 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.836 2.870 0.912 1.00 0.00 H new ATOM 1052 N SER A 75 13.833 0.877 3.178 1.00 0.00 N ATOM 1053 CA SER A 75 14.365 -0.331 3.798 1.00 0.00 C ATOM 1054 C SER A 75 13.385 -1.492 3.654 1.00 0.00 C ATOM 1055 O SER A 75 12.192 -1.349 3.922 1.00 0.00 O ATOM 1056 CB SER A 75 14.663 -0.082 5.278 1.00 0.00 C ATOM 1057 OG SER A 75 15.484 1.061 5.447 1.00 0.00 O ATOM 0 H SER A 75 13.690 1.654 3.823 1.00 0.00 H new ATOM 0 HA SER A 75 15.291 -0.594 3.287 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.729 0.054 5.823 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.157 -0.955 5.705 1.00 0.00 H new ATOM 0 HG SER A 75 15.659 1.200 6.401 1.00 0.00 H new ATOM 1063 N ARG A 76 13.898 -2.642 3.228 1.00 0.00 N ATOM 1064 CA ARG A 76 13.069 -3.827 3.047 1.00 0.00 C ATOM 1065 C ARG A 76 12.509 -4.309 4.382 1.00 0.00 C ATOM 1066 O ARG A 76 11.576 -5.109 4.421 1.00 0.00 O ATOM 1067 CB ARG A 76 13.880 -4.946 2.388 1.00 0.00 C ATOM 1068 CG ARG A 76 15.179 -5.262 3.111 1.00 0.00 C ATOM 1069 CD ARG A 76 15.984 -6.319 2.371 1.00 0.00 C ATOM 1070 NE ARG A 76 17.410 -6.235 2.677 1.00 0.00 N ATOM 1071 CZ ARG A 76 18.322 -7.052 2.161 1.00 0.00 C ATOM 1072 NH1 ARG A 76 17.958 -8.009 1.318 1.00 0.00 N ATOM 1073 NH2 ARG A 76 19.600 -6.912 2.489 1.00 0.00 N ATOM 0 H ARG A 76 14.883 -2.778 3.002 1.00 0.00 H new ATOM 0 HA ARG A 76 12.235 -3.560 2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.270 -5.848 2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.106 -4.663 1.360 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.773 -4.353 3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.960 -5.610 4.120 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.614 -7.309 2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.836 -6.202 1.297 1.00 0.00 H new ATOM 0 HE ARG A 76 17.723 -5.509 3.322 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.976 -8.119 1.064 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.660 -8.635 0.923 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.883 -6.177 3.137 1.00 0.00 H new ATOM 0 HH22 ARG A 76 20.300 -7.539 2.093 1.00 0.00 H new ATOM 1087 N GLU A 77 13.086 -3.814 5.473 1.00 0.00 N ATOM 1088 CA GLU A 77 12.644 -4.196 6.809 1.00 0.00 C ATOM 1089 C GLU A 77 11.486 -3.316 7.271 1.00 0.00 C ATOM 1090 O GLU A 77 10.964 -3.486 8.373 1.00 0.00 O ATOM 1091 CB GLU A 77 13.804 -4.094 7.802 1.00 0.00 C ATOM 1092 CG GLU A 77 14.623 -5.369 7.914 1.00 0.00 C ATOM 1093 CD GLU A 77 13.839 -6.514 8.524 1.00 0.00 C ATOM 1094 OE1 GLU A 77 12.935 -7.044 7.844 1.00 0.00 O ATOM 1095 OE2 GLU A 77 14.130 -6.881 9.682 1.00 0.00 O ATOM 0 H GLU A 77 13.859 -3.149 5.458 1.00 0.00 H new ATOM 0 HA GLU A 77 12.299 -5.229 6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.459 -3.277 7.500 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.408 -3.839 8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.973 -5.660 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.508 -5.176 8.520 1.00 0.00 H new ATOM 1102 N HIS A 78 11.090 -2.375 6.420 1.00 0.00 N ATOM 1103 CA HIS A 78 9.993 -1.468 6.740 1.00 0.00 C ATOM 1104 C HIS A 78 8.772 -1.765 5.875 1.00 0.00 C ATOM 1105 O HIS A 78 8.716 -1.374 4.709 1.00 0.00 O ATOM 1106 CB HIS A 78 10.431 -0.016 6.544 1.00 0.00 C ATOM 1107 CG HIS A 78 11.041 0.596 7.767 1.00 0.00 C ATOM 1108 ND1 HIS A 78 10.395 0.651 8.984 1.00 0.00 N ATOM 1109 CD2 HIS A 78 12.247 1.181 7.956 1.00 0.00 C ATOM 1110 CE1 HIS A 78 11.177 1.244 9.868 1.00 0.00 C ATOM 1111 NE2 HIS A 78 12.307 1.575 9.270 1.00 0.00 N ATOM 0 H HIS A 78 11.512 -2.221 5.504 1.00 0.00 H new ATOM 0 HA HIS A 78 9.721 -1.620 7.785 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.151 0.030 5.727 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.568 0.578 6.243 1.00 0.00 H new ATOM 0 HD2 HIS A 78 13.018 1.313 7.212 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.934 1.427 10.904 1.00 0.00 H new ATOM 0 HE2 HIS A 78 13.096 2.047 9.712 1.00 0.00 H new ATOM 1120 N SER A 79 7.798 -2.459 6.453 1.00 0.00 N ATOM 1121 CA SER A 79 6.580 -2.813 5.734 1.00 0.00 C ATOM 1122 C SER A 79 5.570 -1.670 5.780 1.00 0.00 C ATOM 1123 O SER A 79 4.377 -1.871 5.556 1.00 0.00 O ATOM 1124 CB SER A 79 5.960 -4.079 6.328 1.00 0.00 C ATOM 1125 OG SER A 79 5.593 -3.881 7.682 1.00 0.00 O ATOM 0 H SER A 79 7.828 -2.788 7.418 1.00 0.00 H new ATOM 0 HA SER A 79 6.845 -3.000 4.693 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.082 -4.364 5.748 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.670 -4.903 6.257 1.00 0.00 H new ATOM 0 HG SER A 79 5.198 -4.704 8.038 1.00 0.00 H new ATOM 1131 N SER A 80 6.059 -0.468 6.072 1.00 0.00 N ATOM 1132 CA SER A 80 5.200 0.707 6.152 1.00 0.00 C ATOM 1133 C SER A 80 5.972 1.970 5.781 1.00 0.00 C ATOM 1134 O SER A 80 7.197 2.014 5.885 1.00 0.00 O ATOM 1135 CB SER A 80 4.619 0.846 7.560 1.00 0.00 C ATOM 1136 OG SER A 80 5.645 0.850 8.537 1.00 0.00 O ATOM 0 H SER A 80 7.045 -0.283 6.257 1.00 0.00 H new ATOM 0 HA SER A 80 4.384 0.579 5.441 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.043 1.769 7.630 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.930 0.024 7.755 1.00 0.00 H new ATOM 0 HG SER A 80 5.248 0.942 9.428 1.00 0.00 H new ATOM 1142 N TRP A 81 5.245 2.994 5.348 1.00 0.00 N ATOM 1143 CA TRP A 81 5.861 4.259 4.962 1.00 0.00 C ATOM 1144 C TRP A 81 4.923 5.428 5.241 1.00 0.00 C ATOM 1145 O TRP A 81 3.702 5.283 5.189 1.00 0.00 O ATOM 1146 CB TRP A 81 6.237 4.234 3.480 1.00 0.00 C ATOM 1147 CG TRP A 81 6.992 5.451 3.038 1.00 0.00 C ATOM 1148 CD1 TRP A 81 6.505 6.497 2.306 1.00 0.00 C ATOM 1149 CD2 TRP A 81 8.368 5.748 3.298 1.00 0.00 C ATOM 1150 NE1 TRP A 81 7.495 7.425 2.096 1.00 0.00 N ATOM 1151 CE2 TRP A 81 8.648 6.990 2.695 1.00 0.00 C ATOM 1152 CE3 TRP A 81 9.390 5.087 3.984 1.00 0.00 C ATOM 1153 CZ2 TRP A 81 9.907 7.580 2.758 1.00 0.00 C ATOM 1154 CZ3 TRP A 81 10.640 5.674 4.044 1.00 0.00 C ATOM 1155 CH2 TRP A 81 10.889 6.911 3.435 1.00 0.00 C ATOM 0 H TRP A 81 4.229 2.973 5.255 1.00 0.00 H new ATOM 0 HA TRP A 81 6.764 4.392 5.557 1.00 0.00 H new ATOM 0 HB2 TRP A 81 6.841 3.349 3.281 1.00 0.00 H new ATOM 0 HB3 TRP A 81 5.329 4.142 2.884 1.00 0.00 H new ATOM 0 HD1 TRP A 81 5.490 6.581 1.946 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.389 8.297 1.578 1.00 0.00 H new ATOM 0 HE3 TRP A 81 9.207 4.134 4.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 10.102 8.533 2.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 11.438 5.171 4.569 1.00 0.00 H new ATOM 0 HH2 TRP A 81 11.876 7.345 3.502 1.00 0.00 H new ATOM 1166 N ASP A 82 5.502 6.587 5.537 1.00 0.00 N ATOM 1167 CA ASP A 82 4.718 7.782 5.824 1.00 0.00 C ATOM 1168 C ASP A 82 4.849 8.801 4.697 1.00 0.00 C ATOM 1169 O ASP A 82 5.854 9.507 4.597 1.00 0.00 O ATOM 1170 CB ASP A 82 5.164 8.406 7.147 1.00 0.00 C ATOM 1171 CG ASP A 82 6.648 8.227 7.400 1.00 0.00 C ATOM 1172 OD1 ASP A 82 7.068 7.085 7.681 1.00 0.00 O ATOM 1173 OD2 ASP A 82 7.390 9.229 7.318 1.00 0.00 O ATOM 0 H ASP A 82 6.512 6.724 5.584 1.00 0.00 H new ATOM 0 HA ASP A 82 3.671 7.489 5.905 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.925 9.469 7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.602 7.956 7.965 1.00 0.00 H new ATOM 1178 N LEU A 83 3.829 8.873 3.849 1.00 0.00 N ATOM 1179 CA LEU A 83 3.830 9.805 2.727 1.00 0.00 C ATOM 1180 C LEU A 83 3.707 11.245 3.216 1.00 0.00 C ATOM 1181 O LEU A 83 2.950 11.535 4.142 1.00 0.00 O ATOM 1182 CB LEU A 83 2.684 9.480 1.767 1.00 0.00 C ATOM 1183 CG LEU A 83 2.678 8.067 1.183 1.00 0.00 C ATOM 1184 CD1 LEU A 83 1.292 7.708 0.670 1.00 0.00 C ATOM 1185 CD2 LEU A 83 3.709 7.945 0.071 1.00 0.00 C ATOM 0 H LEU A 83 2.990 8.297 3.917 1.00 0.00 H new ATOM 0 HA LEU A 83 4.778 9.700 2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.742 9.639 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.714 10.192 0.942 1.00 0.00 H new ATOM 0 HG LEU A 83 2.943 7.366 1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.307 6.699 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.577 7.754 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.998 8.413 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.691 6.933 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.475 8.656 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.701 8.159 0.469 1.00 0.00 H new ATOM 1197 N VAL A 84 4.454 12.145 2.584 1.00 0.00 N ATOM 1198 CA VAL A 84 4.426 13.555 2.952 1.00 0.00 C ATOM 1199 C VAL A 84 4.417 14.446 1.715 1.00 0.00 C ATOM 1200 O VAL A 84 5.269 14.316 0.837 1.00 0.00 O ATOM 1201 CB VAL A 84 5.634 13.930 3.832 1.00 0.00 C ATOM 1202 CG1 VAL A 84 5.649 13.094 5.102 1.00 0.00 C ATOM 1203 CG2 VAL A 84 6.931 13.759 3.056 1.00 0.00 C ATOM 0 H VAL A 84 5.086 11.922 1.815 1.00 0.00 H new ATOM 0 HA VAL A 84 3.509 13.716 3.519 1.00 0.00 H new ATOM 0 HB VAL A 84 5.543 14.978 4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.509 13.373 5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.733 13.271 5.665 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.716 12.038 4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.774 14.028 3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.032 12.721 2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.918 14.406 2.179 1.00 0.00 H new ATOM 1213 N GLY A 85 3.446 15.353 1.652 1.00 0.00 N ATOM 1214 CA GLY A 85 3.344 16.253 0.518 1.00 0.00 C ATOM 1215 C GLY A 85 2.094 16.010 -0.304 1.00 0.00 C ATOM 1216 O GLY A 85 2.156 15.921 -1.531 1.00 0.00 O ATOM 0 H GLY A 85 2.729 15.480 2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.346 17.283 0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.222 16.133 -0.117 1.00 0.00 H new ATOM 1220 N LEU A 86 0.955 15.901 0.372 1.00 0.00 N ATOM 1221 CA LEU A 86 -0.316 15.665 -0.303 1.00 0.00 C ATOM 1222 C LEU A 86 -1.309 16.782 0.000 1.00 0.00 C ATOM 1223 O LEU A 86 -1.023 17.682 0.790 1.00 0.00 O ATOM 1224 CB LEU A 86 -0.901 14.318 0.124 1.00 0.00 C ATOM 1225 CG LEU A 86 0.090 13.157 0.222 1.00 0.00 C ATOM 1226 CD1 LEU A 86 -0.564 11.951 0.877 1.00 0.00 C ATOM 1227 CD2 LEU A 86 0.623 12.793 -1.157 1.00 0.00 C ATOM 0 H LEU A 86 0.886 15.972 1.387 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.131 15.650 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.380 14.444 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.683 14.043 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 86 0.929 13.472 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.156 11.135 0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.896 12.218 1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.421 11.635 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.327 11.965 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.205 12.498 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.130 13.655 -1.590 1.00 0.00 H new ATOM 1239 N GLU A 87 -2.477 16.716 -0.631 1.00 0.00 N ATOM 1240 CA GLU A 87 -3.513 17.722 -0.426 1.00 0.00 C ATOM 1241 C GLU A 87 -4.330 17.415 0.826 1.00 0.00 C ATOM 1242 O GLU A 87 -4.241 16.323 1.388 1.00 0.00 O ATOM 1243 CB GLU A 87 -4.435 17.792 -1.646 1.00 0.00 C ATOM 1244 CG GLU A 87 -5.117 19.139 -1.817 1.00 0.00 C ATOM 1245 CD GLU A 87 -5.689 19.331 -3.208 1.00 0.00 C ATOM 1246 OE1 GLU A 87 -5.038 18.901 -4.182 1.00 0.00 O ATOM 1247 OE2 GLU A 87 -6.790 19.910 -3.321 1.00 0.00 O ATOM 0 H GLU A 87 -2.730 15.977 -1.288 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.025 18.687 -0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.855 17.571 -2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.197 17.017 -1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.917 19.233 -1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.400 19.934 -1.610 1.00 0.00 H new ATOM 1254 N LYS A 88 -5.126 18.387 1.258 1.00 0.00 N ATOM 1255 CA LYS A 88 -5.960 18.223 2.443 1.00 0.00 C ATOM 1256 C LYS A 88 -7.397 17.887 2.055 1.00 0.00 C ATOM 1257 O LYS A 88 -7.927 18.420 1.080 1.00 0.00 O ATOM 1258 CB LYS A 88 -5.935 19.498 3.290 1.00 0.00 C ATOM 1259 CG LYS A 88 -4.554 20.119 3.413 1.00 0.00 C ATOM 1260 CD LYS A 88 -4.610 21.470 4.106 1.00 0.00 C ATOM 1261 CE LYS A 88 -3.285 22.209 3.995 1.00 0.00 C ATOM 1262 NZ LYS A 88 -3.433 23.661 4.291 1.00 0.00 N ATOM 0 H LYS A 88 -5.211 19.297 0.805 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.557 17.397 3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.615 20.229 2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.312 19.269 4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.901 19.449 3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -4.117 20.236 2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.403 22.074 3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.863 21.331 5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.565 21.769 4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.882 22.082 2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.508 24.129 4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.101 24.086 3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.794 23.783 5.259 1.00 0.00 H new ATOM 1276 N TRP A 89 -8.020 17.002 2.824 1.00 0.00 N ATOM 1277 CA TRP A 89 -9.396 16.597 2.561 1.00 0.00 C ATOM 1278 C TRP A 89 -9.550 16.089 1.131 1.00 0.00 C ATOM 1279 O TRP A 89 -10.468 16.490 0.414 1.00 0.00 O ATOM 1280 CB TRP A 89 -10.350 17.767 2.805 1.00 0.00 C ATOM 1281 CG TRP A 89 -11.712 17.338 3.261 1.00 0.00 C ATOM 1282 CD1 TRP A 89 -12.001 16.452 4.260 1.00 0.00 C ATOM 1283 CD2 TRP A 89 -12.970 17.775 2.734 1.00 0.00 C ATOM 1284 NE1 TRP A 89 -13.362 16.312 4.385 1.00 0.00 N ATOM 1285 CE2 TRP A 89 -13.979 17.113 3.461 1.00 0.00 C ATOM 1286 CE3 TRP A 89 -13.341 18.662 1.721 1.00 0.00 C ATOM 1287 CZ2 TRP A 89 -15.333 17.312 3.204 1.00 0.00 C ATOM 1288 CZ3 TRP A 89 -14.686 18.858 1.467 1.00 0.00 C ATOM 1289 CH2 TRP A 89 -15.668 18.186 2.206 1.00 0.00 C ATOM 0 H TRP A 89 -7.595 16.551 3.634 1.00 0.00 H new ATOM 0 HA TRP A 89 -9.646 15.785 3.244 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -9.916 18.430 3.554 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -10.448 18.345 1.886 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -11.267 15.937 4.863 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -13.836 15.709 5.057 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -12.591 19.185 1.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -16.092 16.795 3.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -14.984 19.541 0.685 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -16.710 18.361 1.984 1.00 0.00 H new ATOM 1300 N THR A 90 -8.647 15.204 0.721 1.00 0.00 N ATOM 1301 CA THR A 90 -8.682 14.643 -0.623 1.00 0.00 C ATOM 1302 C THR A 90 -8.279 13.173 -0.616 1.00 0.00 C ATOM 1303 O THR A 90 -7.392 12.767 0.134 1.00 0.00 O ATOM 1304 CB THR A 90 -7.751 15.414 -1.578 1.00 0.00 C ATOM 1305 OG1 THR A 90 -8.255 16.737 -1.792 1.00 0.00 O ATOM 1306 CG2 THR A 90 -7.626 14.692 -2.912 1.00 0.00 C ATOM 0 H THR A 90 -7.882 14.860 1.301 1.00 0.00 H new ATOM 0 HA THR A 90 -9.709 14.734 -0.976 1.00 0.00 H new ATOM 0 HB THR A 90 -6.764 15.471 -1.119 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.174 17.256 -0.965 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.964 15.255 -3.570 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.215 13.696 -2.749 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.610 14.607 -3.374 1.00 0.00 H new ATOM 1314 N GLU A 91 -8.938 12.379 -1.456 1.00 0.00 N ATOM 1315 CA GLU A 91 -8.647 10.953 -1.545 1.00 0.00 C ATOM 1316 C GLU A 91 -7.373 10.707 -2.348 1.00 0.00 C ATOM 1317 O GLU A 91 -7.085 11.418 -3.310 1.00 0.00 O ATOM 1318 CB GLU A 91 -9.820 10.210 -2.188 1.00 0.00 C ATOM 1319 CG GLU A 91 -9.810 8.714 -1.925 1.00 0.00 C ATOM 1320 CD GLU A 91 -11.105 8.041 -2.336 1.00 0.00 C ATOM 1321 OE1 GLU A 91 -12.105 8.179 -1.601 1.00 0.00 O ATOM 1322 OE2 GLU A 91 -11.118 7.375 -3.392 1.00 0.00 O ATOM 0 H GLU A 91 -9.676 12.699 -2.083 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.497 10.575 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.754 10.630 -1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.802 10.381 -3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.981 8.259 -2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.633 8.537 -0.864 1.00 0.00 H new ATOM 1329 N TYR A 92 -6.613 9.695 -1.944 1.00 0.00 N ATOM 1330 CA TYR A 92 -5.368 9.355 -2.623 1.00 0.00 C ATOM 1331 C TYR A 92 -5.191 7.843 -2.713 1.00 0.00 C ATOM 1332 O TYR A 92 -5.364 7.127 -1.726 1.00 0.00 O ATOM 1333 CB TYR A 92 -4.177 9.976 -1.890 1.00 0.00 C ATOM 1334 CG TYR A 92 -3.924 11.420 -2.262 1.00 0.00 C ATOM 1335 CD1 TYR A 92 -4.641 12.448 -1.663 1.00 0.00 C ATOM 1336 CD2 TYR A 92 -2.968 11.756 -3.213 1.00 0.00 C ATOM 1337 CE1 TYR A 92 -4.414 13.769 -1.999 1.00 0.00 C ATOM 1338 CE2 TYR A 92 -2.733 13.074 -3.555 1.00 0.00 C ATOM 1339 CZ TYR A 92 -3.458 14.076 -2.945 1.00 0.00 C ATOM 1340 OH TYR A 92 -3.228 15.390 -3.284 1.00 0.00 O ATOM 0 H TYR A 92 -6.837 9.096 -1.150 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.414 9.758 -3.635 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.348 9.911 -0.815 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -3.283 9.392 -2.106 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.389 12.211 -0.921 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.399 10.974 -3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -4.981 14.556 -1.524 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -1.986 13.318 -4.296 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.523 15.434 -3.964 1.00 0.00 H new ATOM 1350 N ARG A 93 -4.845 7.364 -3.903 1.00 0.00 N ATOM 1351 CA ARG A 93 -4.644 5.937 -4.124 1.00 0.00 C ATOM 1352 C ARG A 93 -3.177 5.559 -3.944 1.00 0.00 C ATOM 1353 O ARG A 93 -2.331 5.904 -4.769 1.00 0.00 O ATOM 1354 CB ARG A 93 -5.115 5.545 -5.526 1.00 0.00 C ATOM 1355 CG ARG A 93 -6.620 5.363 -5.634 1.00 0.00 C ATOM 1356 CD ARG A 93 -7.098 5.516 -7.070 1.00 0.00 C ATOM 1357 NE ARG A 93 -8.288 4.715 -7.339 1.00 0.00 N ATOM 1358 CZ ARG A 93 -8.310 3.388 -7.281 1.00 0.00 C ATOM 1359 NH1 ARG A 93 -7.211 2.717 -6.965 1.00 0.00 N ATOM 1360 NH2 ARG A 93 -9.432 2.730 -7.540 1.00 0.00 N ATOM 0 H ARG A 93 -4.698 7.943 -4.729 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.234 5.394 -3.385 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.798 6.311 -6.234 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.623 4.617 -5.819 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -6.896 4.377 -5.261 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.122 6.095 -5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.315 6.565 -7.270 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.300 5.220 -7.751 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.150 5.201 -7.585 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.346 3.220 -6.766 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.230 1.698 -6.921 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.279 3.243 -7.784 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.448 1.711 -7.495 1.00 0.00 H new ATOM 1374 N VAL A 94 -2.882 4.849 -2.860 1.00 0.00 N ATOM 1375 CA VAL A 94 -1.518 4.424 -2.572 1.00 0.00 C ATOM 1376 C VAL A 94 -1.275 2.996 -3.046 1.00 0.00 C ATOM 1377 O VAL A 94 -2.029 2.083 -2.708 1.00 0.00 O ATOM 1378 CB VAL A 94 -1.208 4.513 -1.066 1.00 0.00 C ATOM 1379 CG1 VAL A 94 0.185 3.978 -0.774 1.00 0.00 C ATOM 1380 CG2 VAL A 94 -1.351 5.947 -0.577 1.00 0.00 C ATOM 0 H VAL A 94 -3.570 4.556 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.856 5.100 -3.112 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.927 3.896 -0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.385 4.049 0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.247 2.935 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.922 4.565 -1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.128 5.992 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.656 6.588 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.371 6.290 -0.749 1.00 0.00 H new ATOM 1390 N TRP A 95 -0.219 2.809 -3.829 1.00 0.00 N ATOM 1391 CA TRP A 95 0.123 1.491 -4.349 1.00 0.00 C ATOM 1392 C TRP A 95 1.494 1.047 -3.849 1.00 0.00 C ATOM 1393 O TRP A 95 2.514 1.641 -4.198 1.00 0.00 O ATOM 1394 CB TRP A 95 0.104 1.502 -5.879 1.00 0.00 C ATOM 1395 CG TRP A 95 -1.237 1.847 -6.453 1.00 0.00 C ATOM 1396 CD1 TRP A 95 -2.293 1.001 -6.634 1.00 0.00 C ATOM 1397 CD2 TRP A 95 -1.663 3.131 -6.923 1.00 0.00 C ATOM 1398 NE1 TRP A 95 -3.351 1.681 -7.188 1.00 0.00 N ATOM 1399 CE2 TRP A 95 -2.990 2.989 -7.374 1.00 0.00 C ATOM 1400 CE3 TRP A 95 -1.055 4.386 -7.004 1.00 0.00 C ATOM 1401 CZ2 TRP A 95 -3.715 4.056 -7.900 1.00 0.00 C ATOM 1402 CZ3 TRP A 95 -1.775 5.443 -7.526 1.00 0.00 C ATOM 1403 CH2 TRP A 95 -3.094 5.273 -7.967 1.00 0.00 C ATOM 0 H TRP A 95 0.415 3.554 -4.118 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.622 0.782 -3.988 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.841 2.219 -6.239 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.407 0.522 -6.246 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.296 -0.049 -6.379 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.258 1.277 -7.423 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.040 4.527 -6.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.731 3.927 -8.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.313 6.417 -7.595 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.631 6.120 -8.368 1.00 0.00 H new ATOM 1414 N VAL A 96 1.510 0.000 -3.031 1.00 0.00 N ATOM 1415 CA VAL A 96 2.756 -0.524 -2.484 1.00 0.00 C ATOM 1416 C VAL A 96 3.037 -1.929 -3.004 1.00 0.00 C ATOM 1417 O VAL A 96 2.180 -2.810 -2.936 1.00 0.00 O ATOM 1418 CB VAL A 96 2.724 -0.555 -0.944 1.00 0.00 C ATOM 1419 CG1 VAL A 96 1.399 -1.113 -0.449 1.00 0.00 C ATOM 1420 CG2 VAL A 96 3.890 -1.370 -0.404 1.00 0.00 C ATOM 0 H VAL A 96 0.674 -0.502 -2.732 1.00 0.00 H new ATOM 0 HA VAL A 96 3.551 0.146 -2.810 1.00 0.00 H new ATOM 0 HB VAL A 96 2.822 0.466 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.395 -1.127 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.583 -0.485 -0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.268 -2.127 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.852 -1.382 0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.825 -2.391 -0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.829 -0.922 -0.730 1.00 0.00 H new ATOM 1430 N ARG A 97 4.243 -2.131 -3.524 1.00 0.00 N ATOM 1431 CA ARG A 97 4.637 -3.430 -4.057 1.00 0.00 C ATOM 1432 C ARG A 97 6.028 -3.821 -3.565 1.00 0.00 C ATOM 1433 O ARG A 97 6.872 -2.961 -3.312 1.00 0.00 O ATOM 1434 CB ARG A 97 4.615 -3.405 -5.587 1.00 0.00 C ATOM 1435 CG ARG A 97 5.667 -2.494 -6.197 1.00 0.00 C ATOM 1436 CD ARG A 97 5.377 -2.211 -7.663 1.00 0.00 C ATOM 1437 NE ARG A 97 6.181 -1.106 -8.176 1.00 0.00 N ATOM 1438 CZ ARG A 97 6.025 -0.585 -9.388 1.00 0.00 C ATOM 1439 NH1 ARG A 97 5.099 -1.066 -10.206 1.00 0.00 N ATOM 1440 NH2 ARG A 97 6.796 0.420 -9.784 1.00 0.00 N ATOM 0 H ARG A 97 4.964 -1.412 -3.588 1.00 0.00 H new ATOM 0 HA ARG A 97 3.922 -4.172 -3.701 1.00 0.00 H new ATOM 0 HB2 ARG A 97 4.763 -4.418 -5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.629 -3.083 -5.922 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.702 -1.555 -5.644 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.649 -2.956 -6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.575 -3.107 -8.251 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.319 -1.977 -7.785 1.00 0.00 H new ATOM 0 HE ARG A 97 6.902 -0.712 -7.571 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.504 -1.838 -9.905 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.981 -0.664 -11.136 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.509 0.793 -9.158 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.675 0.819 -10.715 1.00 0.00 H new ATOM 1454 N ALA A 98 6.258 -5.123 -3.430 1.00 0.00 N ATOM 1455 CA ALA A 98 7.545 -5.627 -2.969 1.00 0.00 C ATOM 1456 C ALA A 98 8.445 -5.992 -4.146 1.00 0.00 C ATOM 1457 O ALA A 98 8.002 -6.621 -5.107 1.00 0.00 O ATOM 1458 CB ALA A 98 7.346 -6.832 -2.061 1.00 0.00 C ATOM 0 H ALA A 98 5.569 -5.848 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 98 8.035 -4.836 -2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.316 -7.198 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.748 -6.542 -1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.832 -7.620 -2.610 1.00 0.00 H new ATOM 1464 N HIS A 99 9.710 -5.592 -4.063 1.00 0.00 N ATOM 1465 CA HIS A 99 10.672 -5.877 -5.122 1.00 0.00 C ATOM 1466 C HIS A 99 11.731 -6.866 -4.642 1.00 0.00 C ATOM 1467 O HIS A 99 12.193 -6.793 -3.503 1.00 0.00 O ATOM 1468 CB HIS A 99 11.340 -4.586 -5.594 1.00 0.00 C ATOM 1469 CG HIS A 99 10.537 -3.833 -6.610 1.00 0.00 C ATOM 1470 ND1 HIS A 99 9.276 -4.220 -7.010 1.00 0.00 N ATOM 1471 CD2 HIS A 99 10.822 -2.708 -7.306 1.00 0.00 C ATOM 1472 CE1 HIS A 99 8.820 -3.367 -7.909 1.00 0.00 C ATOM 1473 NE2 HIS A 99 9.739 -2.439 -8.107 1.00 0.00 N ATOM 0 H HIS A 99 10.092 -5.070 -3.274 1.00 0.00 H new ATOM 0 HA HIS A 99 10.134 -6.325 -5.957 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.517 -3.942 -4.733 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.315 -4.825 -6.018 1.00 0.00 H new ATOM 0 HD2 HIS A 99 11.732 -2.129 -7.243 1.00 0.00 H new ATOM 0 HE1 HIS A 99 7.859 -3.419 -8.399 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.658 -1.651 -8.750 1.00 0.00 H new ATOM 1482 N THR A 100 12.110 -7.791 -5.518 1.00 0.00 N ATOM 1483 CA THR A 100 13.112 -8.795 -5.184 1.00 0.00 C ATOM 1484 C THR A 100 14.370 -8.618 -6.026 1.00 0.00 C ATOM 1485 O THR A 100 14.340 -7.979 -7.078 1.00 0.00 O ATOM 1486 CB THR A 100 12.568 -10.222 -5.388 1.00 0.00 C ATOM 1487 OG1 THR A 100 11.624 -10.236 -6.464 1.00 0.00 O ATOM 1488 CG2 THR A 100 11.905 -10.735 -4.118 1.00 0.00 C ATOM 0 H THR A 100 11.738 -7.866 -6.465 1.00 0.00 H new ATOM 0 HA THR A 100 13.360 -8.656 -4.132 1.00 0.00 H new ATOM 0 HB THR A 100 13.406 -10.876 -5.631 1.00 0.00 H new ATOM 0 HG1 THR A 100 11.987 -9.736 -7.224 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.529 -11.744 -4.286 1.00 0.00 H new ATOM 0 HG22 THR A 100 12.634 -10.750 -3.308 1.00 0.00 H new ATOM 0 HG23 THR A 100 11.077 -10.079 -3.849 1.00 0.00 H new ATOM 1496 N ASP A 101 15.475 -9.188 -5.558 1.00 0.00 N ATOM 1497 CA ASP A 101 16.744 -9.095 -6.269 1.00 0.00 C ATOM 1498 C ASP A 101 16.637 -9.722 -7.656 1.00 0.00 C ATOM 1499 O ASP A 101 17.391 -9.375 -8.565 1.00 0.00 O ATOM 1500 CB ASP A 101 17.853 -9.781 -5.470 1.00 0.00 C ATOM 1501 CG ASP A 101 19.108 -10.002 -6.292 1.00 0.00 C ATOM 1502 OD1 ASP A 101 19.482 -9.091 -7.060 1.00 0.00 O ATOM 1503 OD2 ASP A 101 19.716 -11.085 -6.167 1.00 0.00 O ATOM 0 H ASP A 101 15.517 -9.720 -4.689 1.00 0.00 H new ATOM 0 HA ASP A 101 16.990 -8.040 -6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 101 18.096 -9.175 -4.597 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.490 -10.740 -5.101 1.00 0.00 H new ATOM 1508 N VAL A 102 15.696 -10.648 -7.810 1.00 0.00 N ATOM 1509 CA VAL A 102 15.490 -11.323 -9.086 1.00 0.00 C ATOM 1510 C VAL A 102 14.634 -10.479 -10.023 1.00 0.00 C ATOM 1511 O VAL A 102 14.687 -10.638 -11.242 1.00 0.00 O ATOM 1512 CB VAL A 102 14.818 -12.696 -8.892 1.00 0.00 C ATOM 1513 CG1 VAL A 102 15.800 -13.691 -8.294 1.00 0.00 C ATOM 1514 CG2 VAL A 102 13.581 -12.564 -8.017 1.00 0.00 C ATOM 0 H VAL A 102 15.064 -10.948 -7.067 1.00 0.00 H new ATOM 0 HA VAL A 102 16.475 -11.467 -9.530 1.00 0.00 H new ATOM 0 HB VAL A 102 14.507 -13.070 -9.867 1.00 0.00 H new ATOM 0 HG11 VAL A 102 15.308 -14.655 -8.164 1.00 0.00 H new ATOM 0 HG12 VAL A 102 16.653 -13.806 -8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 102 16.144 -13.326 -7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 102 13.119 -13.543 -7.890 1.00 0.00 H new ATOM 0 HG22 VAL A 102 13.865 -12.168 -7.042 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.871 -11.886 -8.491 1.00 0.00 H new ATOM 1524 N GLY A 103 13.845 -9.578 -9.445 1.00 0.00 N ATOM 1525 CA GLY A 103 12.989 -8.720 -10.244 1.00 0.00 C ATOM 1526 C GLY A 103 11.816 -8.175 -9.454 1.00 0.00 C ATOM 1527 O GLY A 103 11.487 -8.663 -8.373 1.00 0.00 O ATOM 0 H GLY A 103 13.783 -9.427 -8.438 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.576 -7.890 -10.636 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.617 -9.280 -11.102 1.00 0.00 H new ATOM 1531 N PRO A 104 11.164 -7.136 -9.996 1.00 0.00 N ATOM 1532 CA PRO A 104 10.012 -6.500 -9.351 1.00 0.00 C ATOM 1533 C PRO A 104 8.780 -7.398 -9.350 1.00 0.00 C ATOM 1534 O PRO A 104 8.779 -8.468 -9.956 1.00 0.00 O ATOM 1535 CB PRO A 104 9.766 -5.257 -10.210 1.00 0.00 C ATOM 1536 CG PRO A 104 10.326 -5.602 -11.546 1.00 0.00 C ATOM 1537 CD PRO A 104 11.501 -6.502 -11.282 1.00 0.00 C ATOM 0 HA PRO A 104 10.204 -6.279 -8.301 1.00 0.00 H new ATOM 0 HB2 PRO A 104 8.703 -5.025 -10.275 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.259 -4.381 -9.789 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.581 -6.104 -12.164 1.00 0.00 H new ATOM 0 HG3 PRO A 104 10.634 -4.705 -12.083 1.00 0.00 H new ATOM 0 HD2 PRO A 104 11.627 -7.241 -12.073 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.432 -5.939 -11.221 1.00 0.00 H new ATOM 1545 N GLY A 105 7.730 -6.955 -8.663 1.00 0.00 N ATOM 1546 CA GLY A 105 6.506 -7.731 -8.596 1.00 0.00 C ATOM 1547 C GLY A 105 5.273 -6.894 -8.869 1.00 0.00 C ATOM 1548 O GLY A 105 5.356 -5.692 -9.125 1.00 0.00 O ATOM 0 H GLY A 105 7.706 -6.073 -8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.556 -8.545 -9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.421 -8.186 -7.609 1.00 0.00 H new ATOM 1552 N PRO A 106 4.095 -7.534 -8.819 1.00 0.00 N ATOM 1553 CA PRO A 106 2.816 -6.859 -9.061 1.00 0.00 C ATOM 1554 C PRO A 106 2.450 -5.891 -7.941 1.00 0.00 C ATOM 1555 O PRO A 106 3.038 -5.927 -6.861 1.00 0.00 O ATOM 1556 CB PRO A 106 1.812 -8.013 -9.121 1.00 0.00 C ATOM 1557 CG PRO A 106 2.437 -9.100 -8.317 1.00 0.00 C ATOM 1558 CD PRO A 106 3.921 -8.965 -8.520 1.00 0.00 C ATOM 0 HA PRO A 106 2.841 -6.250 -9.965 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.847 -7.720 -8.708 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.636 -8.332 -10.148 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.177 -9.004 -7.263 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.086 -10.079 -8.644 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.477 -9.260 -7.630 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.273 -9.592 -9.339 1.00 0.00 H new ATOM 1566 N GLU A 107 1.475 -5.028 -8.206 1.00 0.00 N ATOM 1567 CA GLU A 107 1.031 -4.050 -7.219 1.00 0.00 C ATOM 1568 C GLU A 107 0.021 -4.669 -6.257 1.00 0.00 C ATOM 1569 O GLU A 107 -0.467 -5.776 -6.480 1.00 0.00 O ATOM 1570 CB GLU A 107 0.412 -2.836 -7.914 1.00 0.00 C ATOM 1571 CG GLU A 107 1.439 -1.883 -8.503 1.00 0.00 C ATOM 1572 CD GLU A 107 2.055 -0.971 -7.459 1.00 0.00 C ATOM 1573 OE1 GLU A 107 2.184 -1.403 -6.295 1.00 0.00 O ATOM 1574 OE2 GLU A 107 2.407 0.175 -7.808 1.00 0.00 O ATOM 0 H GLU A 107 0.977 -4.986 -9.095 1.00 0.00 H new ATOM 0 HA GLU A 107 1.901 -3.727 -6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.249 -3.181 -8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.206 -2.294 -7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.227 -2.459 -8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.966 -1.277 -9.276 1.00 0.00 H new ATOM 1581 N SER A 108 -0.287 -3.944 -5.186 1.00 0.00 N ATOM 1582 CA SER A 108 -1.235 -4.423 -4.186 1.00 0.00 C ATOM 1583 C SER A 108 -2.567 -3.688 -4.305 1.00 0.00 C ATOM 1584 O SER A 108 -2.766 -2.886 -5.217 1.00 0.00 O ATOM 1585 CB SER A 108 -0.662 -4.238 -2.780 1.00 0.00 C ATOM 1586 OG SER A 108 -0.565 -2.865 -2.444 1.00 0.00 O ATOM 0 H SER A 108 0.106 -3.024 -4.988 1.00 0.00 H new ATOM 0 HA SER A 108 -1.408 -5.484 -4.364 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.296 -4.749 -2.056 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.324 -4.700 -2.722 1.00 0.00 H new ATOM 0 HG SER A 108 0.334 -2.538 -2.659 1.00 0.00 H new ATOM 1592 N SER A 109 -3.475 -3.969 -3.377 1.00 0.00 N ATOM 1593 CA SER A 109 -4.790 -3.339 -3.379 1.00 0.00 C ATOM 1594 C SER A 109 -4.704 -1.900 -2.879 1.00 0.00 C ATOM 1595 O SER A 109 -4.288 -1.631 -1.752 1.00 0.00 O ATOM 1596 CB SER A 109 -5.762 -4.136 -2.506 1.00 0.00 C ATOM 1597 OG SER A 109 -6.498 -5.066 -3.282 1.00 0.00 O ATOM 0 H SER A 109 -3.325 -4.629 -2.614 1.00 0.00 H new ATOM 0 HA SER A 109 -5.158 -3.328 -4.405 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.209 -4.663 -1.728 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.447 -3.454 -2.003 1.00 0.00 H new ATOM 0 HG SER A 109 -7.111 -5.564 -2.701 1.00 0.00 H new ATOM 1603 N PRO A 110 -5.105 -0.951 -3.739 1.00 0.00 N ATOM 1604 CA PRO A 110 -5.083 0.477 -3.408 1.00 0.00 C ATOM 1605 C PRO A 110 -6.128 0.845 -2.361 1.00 0.00 C ATOM 1606 O PRO A 110 -7.327 0.659 -2.572 1.00 0.00 O ATOM 1607 CB PRO A 110 -5.402 1.155 -4.743 1.00 0.00 C ATOM 1608 CG PRO A 110 -6.168 0.135 -5.513 1.00 0.00 C ATOM 1609 CD PRO A 110 -5.612 -1.200 -5.099 1.00 0.00 C ATOM 0 HA PRO A 110 -4.129 0.781 -2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.988 2.062 -4.596 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.491 1.445 -5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.234 0.199 -5.293 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.054 0.289 -6.586 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.379 -1.975 -5.106 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.819 -1.530 -5.769 1.00 0.00 H new ATOM 1617 N VAL A 111 -5.667 1.370 -1.230 1.00 0.00 N ATOM 1618 CA VAL A 111 -6.562 1.766 -0.150 1.00 0.00 C ATOM 1619 C VAL A 111 -6.902 3.250 -0.234 1.00 0.00 C ATOM 1620 O VAL A 111 -6.017 4.105 -0.189 1.00 0.00 O ATOM 1621 CB VAL A 111 -5.943 1.471 1.229 1.00 0.00 C ATOM 1622 CG1 VAL A 111 -6.869 1.938 2.342 1.00 0.00 C ATOM 1623 CG2 VAL A 111 -5.636 -0.012 1.368 1.00 0.00 C ATOM 0 H VAL A 111 -4.678 1.531 -1.038 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.474 1.180 -0.264 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.007 2.023 1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.414 1.721 3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -7.034 3.012 2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.823 1.416 2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.199 -0.203 2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.557 -0.586 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.932 -0.312 0.592 1.00 0.00 H new ATOM 1633 N LEU A 112 -8.191 3.550 -0.358 1.00 0.00 N ATOM 1634 CA LEU A 112 -8.650 4.932 -0.448 1.00 0.00 C ATOM 1635 C LEU A 112 -8.690 5.583 0.930 1.00 0.00 C ATOM 1636 O LEU A 112 -9.414 5.136 1.819 1.00 0.00 O ATOM 1637 CB LEU A 112 -10.036 4.988 -1.092 1.00 0.00 C ATOM 1638 CG LEU A 112 -10.204 4.203 -2.394 1.00 0.00 C ATOM 1639 CD1 LEU A 112 -11.660 4.204 -2.834 1.00 0.00 C ATOM 1640 CD2 LEU A 112 -9.315 4.783 -3.485 1.00 0.00 C ATOM 0 H LEU A 112 -8.936 2.855 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.945 5.484 -1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.765 4.617 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.282 6.032 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.900 3.171 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.760 3.641 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.274 3.742 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.991 5.230 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.447 4.212 -4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.588 5.823 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.272 4.729 -3.172 1.00 0.00 H new ATOM 1652 N VAL A 113 -7.909 6.645 1.100 1.00 0.00 N ATOM 1653 CA VAL A 113 -7.857 7.361 2.369 1.00 0.00 C ATOM 1654 C VAL A 113 -8.120 8.850 2.171 1.00 0.00 C ATOM 1655 O VAL A 113 -7.575 9.471 1.259 1.00 0.00 O ATOM 1656 CB VAL A 113 -6.493 7.180 3.061 1.00 0.00 C ATOM 1657 CG1 VAL A 113 -6.325 5.748 3.544 1.00 0.00 C ATOM 1658 CG2 VAL A 113 -5.363 7.570 2.121 1.00 0.00 C ATOM 0 H VAL A 113 -7.303 7.029 0.374 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.636 6.938 3.003 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.456 7.838 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.355 5.639 4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.116 5.508 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.383 5.068 2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.407 7.436 2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.395 6.940 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.476 8.614 1.830 1.00 0.00 H new ATOM 1668 N ARG A 114 -8.960 9.416 3.031 1.00 0.00 N ATOM 1669 CA ARG A 114 -9.297 10.833 2.951 1.00 0.00 C ATOM 1670 C ARG A 114 -8.590 11.623 4.048 1.00 0.00 C ATOM 1671 O ARG A 114 -8.934 11.517 5.226 1.00 0.00 O ATOM 1672 CB ARG A 114 -10.810 11.026 3.062 1.00 0.00 C ATOM 1673 CG ARG A 114 -11.231 12.483 3.169 1.00 0.00 C ATOM 1674 CD ARG A 114 -12.513 12.634 3.974 1.00 0.00 C ATOM 1675 NE ARG A 114 -12.247 12.813 5.399 1.00 0.00 N ATOM 1676 CZ ARG A 114 -13.154 13.246 6.267 1.00 0.00 C ATOM 1677 NH1 ARG A 114 -14.380 13.542 5.858 1.00 0.00 N ATOM 1678 NH2 ARG A 114 -12.836 13.383 7.548 1.00 0.00 N ATOM 0 H ARG A 114 -9.420 8.915 3.791 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.960 11.207 1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.290 10.581 2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -11.174 10.486 3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.434 13.060 3.639 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.376 12.895 2.171 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -13.077 13.489 3.600 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -13.137 11.752 3.830 1.00 0.00 H new ATOM 0 HE ARG A 114 -11.313 12.593 5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -14.629 13.437 4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -15.075 13.874 6.527 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -11.894 13.156 7.867 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -13.533 13.716 8.214 1.00 0.00 H new ATOM 1692 N THR A 115 -7.597 12.415 3.654 1.00 0.00 N ATOM 1693 CA THR A 115 -6.841 13.222 4.603 1.00 0.00 C ATOM 1694 C THR A 115 -7.763 14.120 5.420 1.00 0.00 C ATOM 1695 O THR A 115 -8.879 14.426 5.000 1.00 0.00 O ATOM 1696 CB THR A 115 -5.793 14.096 3.888 1.00 0.00 C ATOM 1697 OG1 THR A 115 -6.396 14.773 2.779 1.00 0.00 O ATOM 1698 CG2 THR A 115 -4.626 13.252 3.400 1.00 0.00 C ATOM 0 H THR A 115 -7.298 12.514 2.684 1.00 0.00 H new ATOM 0 HA THR A 115 -6.330 12.528 5.270 1.00 0.00 H new ATOM 0 HB THR A 115 -5.416 14.830 4.601 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.780 14.765 2.017 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.899 13.891 2.899 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.152 12.761 4.250 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.989 12.498 2.701 1.00 0.00 H new ATOM 1706 N ASP A 116 -7.290 14.539 6.589 1.00 0.00 N ATOM 1707 CA ASP A 116 -8.072 15.403 7.464 1.00 0.00 C ATOM 1708 C ASP A 116 -8.295 16.769 6.822 1.00 0.00 C ATOM 1709 O ASP A 116 -7.469 17.239 6.039 1.00 0.00 O ATOM 1710 CB ASP A 116 -7.370 15.569 8.813 1.00 0.00 C ATOM 1711 CG ASP A 116 -7.762 14.492 9.805 1.00 0.00 C ATOM 1712 OD1 ASP A 116 -7.736 13.301 9.430 1.00 0.00 O ATOM 1713 OD2 ASP A 116 -8.096 14.839 10.958 1.00 0.00 O ATOM 0 H ASP A 116 -6.369 14.294 6.952 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.043 14.933 7.623 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.291 15.546 8.663 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.613 16.547 9.228 1.00 0.00 H new ATOM 1718 N GLU A 117 -9.415 17.400 7.158 1.00 0.00 N ATOM 1719 CA GLU A 117 -9.746 18.711 6.611 1.00 0.00 C ATOM 1720 C GLU A 117 -8.823 19.786 7.179 1.00 0.00 C ATOM 1721 O GLU A 117 -8.392 19.704 8.329 1.00 0.00 O ATOM 1722 CB GLU A 117 -11.204 19.062 6.917 1.00 0.00 C ATOM 1723 CG GLU A 117 -11.854 19.937 5.858 1.00 0.00 C ATOM 1724 CD GLU A 117 -13.242 20.400 6.255 1.00 0.00 C ATOM 1725 OE1 GLU A 117 -13.363 21.096 7.285 1.00 0.00 O ATOM 1726 OE2 GLU A 117 -14.207 20.066 5.537 1.00 0.00 O ATOM 0 H GLU A 117 -10.108 17.025 7.806 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.608 18.671 5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.778 18.141 7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.252 19.573 7.878 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.224 20.807 5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.914 19.383 4.921 1.00 0.00 H new