USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 710 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 94 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 98 ASN :FLIP amide:sc= 1.03 F(o=-0.27,f=1) USER MOD Set 2.1: A 55 HIS :FLIP no HE2:sc= -0.523 F(o=-4.6!,f=-2.3) USER MOD Set 2.2: A 58 ASN : amide:sc= -1.81! C(o=-2.3!,f=-5.9!) USER MOD Set 3.1: A 37 CYS SG : rot -28:sc= 0.977 USER MOD Set 3.2: A 51 HIS :FLIP no HD1:sc= -5.31! C(o=-8.3!,f=-4.3!) USER MOD Single : A 15 THR OG1 : rot 27:sc= 0.023 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -153:sc= -1.3 USER MOD Single : A 18 SER OG : rot 52:sc= 0.271 USER MOD Single : A 19 MET CE :methyl 172:sc= -1.24 (180deg=-1.29) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -146:sc= -7.25! (180deg=-12.2!) USER MOD Single : A 25 MET CE :methyl -128:sc= -0.08 (180deg=-0.496) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= -1.35 (180deg=-1.91!) USER MOD Single : A 35 ASN : amide:sc= 0.00607 X(o=0.0061,f=-0.06) USER MOD Single : A 36 ASN : amide:sc= -0.0549 X(o=-0.055,f=-0.061) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 49 CYS SG : rot -179:sc= 1.07 USER MOD Single : A 61 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 64 MET CE :methyl -129:sc= -2.44 (180deg=-4.51!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -111:sc= -1.2 (180deg=-3.45!) USER MOD Single : A 73 SER OG : rot -45:sc= 0.81 USER MOD Single : A 75 ASN : amide:sc= -3.16 K(o=-3.2,f=-4.1!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 150:sc= -0.173 (180deg=-0.858) USER MOD Single : A 91 ASN : amide:sc= -0.474 K(o=-0.47,f=-2.4!) USER MOD Single : A 95 LYS NZ :NH3+ 160:sc= -0.0377 (180deg=-0.31) USER MOD Single : A 101 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0296) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 15 11.402 10.184 -6.714 1.00 0.00 N ATOM 199 CA THR A 15 11.962 9.889 -5.402 1.00 0.00 C ATOM 200 C THR A 15 12.562 8.488 -5.362 1.00 0.00 C ATOM 201 O THR A 15 11.936 7.521 -5.797 1.00 0.00 O ATOM 202 CB THR A 15 10.898 10.012 -4.296 1.00 0.00 C ATOM 203 OG1 THR A 15 10.415 11.358 -4.227 1.00 0.00 O ATOM 204 CG2 THR A 15 11.470 9.603 -2.946 1.00 0.00 C ATOM 0 HA THR A 15 12.748 10.623 -5.222 1.00 0.00 H new ATOM 0 HB THR A 15 10.073 9.343 -4.541 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.508 11.784 -5.104 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.700 9.698 -2.181 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.809 8.568 -2.993 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.311 10.249 -2.696 1.00 0.00 H new ATOM 212 N THR A 16 13.779 8.385 -4.837 1.00 0.00 N ATOM 213 CA THR A 16 14.463 7.101 -4.741 1.00 0.00 C ATOM 214 C THR A 16 15.106 6.923 -3.370 1.00 0.00 C ATOM 215 O THR A 16 15.487 7.897 -2.721 1.00 0.00 O ATOM 216 CB THR A 16 15.546 6.960 -5.826 1.00 0.00 C ATOM 217 OG1 THR A 16 16.642 7.836 -5.542 1.00 0.00 O ATOM 218 CG2 THR A 16 14.979 7.278 -7.202 1.00 0.00 C ATOM 0 H THR A 16 14.311 9.175 -4.472 1.00 0.00 H new ATOM 0 HA THR A 16 13.709 6.328 -4.889 1.00 0.00 H new ATOM 0 HB THR A 16 15.897 5.928 -5.825 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.327 7.739 -6.236 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.763 7.172 -7.952 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.165 6.590 -7.428 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.603 8.301 -7.213 1.00 0.00 H new ATOM 226 N SER A 17 15.225 5.672 -2.936 1.00 0.00 N ATOM 227 CA SER A 17 15.820 5.366 -1.640 1.00 0.00 C ATOM 228 C SER A 17 16.833 4.232 -1.762 1.00 0.00 C ATOM 229 O SER A 17 16.497 3.128 -2.190 1.00 0.00 O ATOM 230 CB SER A 17 14.733 4.988 -0.633 1.00 0.00 C ATOM 231 OG SER A 17 15.292 4.708 0.639 1.00 0.00 O ATOM 0 H SER A 17 14.917 4.854 -3.463 1.00 0.00 H new ATOM 0 HA SER A 17 16.339 6.257 -1.286 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.014 5.802 -0.546 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.186 4.117 -0.993 1.00 0.00 H new ATOM 0 HG SER A 17 14.707 4.090 1.125 1.00 0.00 H new ATOM 237 N SER A 18 18.076 4.514 -1.383 1.00 0.00 N ATOM 238 CA SER A 18 19.140 3.519 -1.452 1.00 0.00 C ATOM 239 C SER A 18 19.185 2.682 -0.178 1.00 0.00 C ATOM 240 O SER A 18 19.991 2.936 0.717 1.00 0.00 O ATOM 241 CB SER A 18 20.491 4.202 -1.675 1.00 0.00 C ATOM 242 OG SER A 18 20.696 5.245 -0.738 1.00 0.00 O ATOM 0 H SER A 18 18.371 5.423 -1.025 1.00 0.00 H new ATOM 0 HA SER A 18 18.931 2.858 -2.293 1.00 0.00 H new ATOM 0 HB2 SER A 18 21.292 3.468 -1.588 1.00 0.00 H new ATOM 0 HB3 SER A 18 20.536 4.604 -2.687 1.00 0.00 H new ATOM 0 HG SER A 18 20.557 4.902 0.169 1.00 0.00 H new ATOM 248 N MET A 19 18.313 1.682 -0.104 1.00 0.00 N ATOM 249 CA MET A 19 18.254 0.805 1.060 1.00 0.00 C ATOM 250 C MET A 19 17.352 -0.396 0.791 1.00 0.00 C ATOM 251 O MET A 19 16.661 -0.449 -0.227 1.00 0.00 O ATOM 252 CB MET A 19 17.745 1.575 2.280 1.00 0.00 C ATOM 253 CG MET A 19 16.423 2.287 2.042 1.00 0.00 C ATOM 254 SD MET A 19 16.173 3.679 3.160 1.00 0.00 S ATOM 255 CE MET A 19 14.710 3.144 4.045 1.00 0.00 C ATOM 0 H MET A 19 17.638 1.459 -0.835 1.00 0.00 H new ATOM 0 HA MET A 19 19.262 0.443 1.262 1.00 0.00 H new ATOM 0 HB2 MET A 19 17.630 0.883 3.114 1.00 0.00 H new ATOM 0 HB3 MET A 19 18.495 2.309 2.575 1.00 0.00 H new ATOM 0 HG2 MET A 19 16.386 2.642 1.012 1.00 0.00 H new ATOM 0 HG3 MET A 19 15.605 1.577 2.164 1.00 0.00 H new ATOM 0 HE1 MET A 19 14.512 3.830 4.868 1.00 0.00 H new ATOM 0 HE2 MET A 19 13.857 3.135 3.366 1.00 0.00 H new ATOM 0 HE3 MET A 19 14.870 2.141 4.439 1.00 0.00 H new ATOM 265 N ASP A 20 17.365 -1.357 1.708 1.00 0.00 N ATOM 266 CA ASP A 20 16.548 -2.557 1.570 1.00 0.00 C ATOM 267 C ASP A 20 15.065 -2.202 1.518 1.00 0.00 C ATOM 268 O ASP A 20 14.617 -1.215 2.103 1.00 0.00 O ATOM 269 CB ASP A 20 16.815 -3.518 2.729 1.00 0.00 C ATOM 270 CG ASP A 20 18.038 -4.383 2.494 1.00 0.00 C ATOM 271 OD1 ASP A 20 17.955 -5.316 1.668 1.00 0.00 O ATOM 272 OD2 ASP A 20 19.078 -4.125 3.135 1.00 0.00 O ATOM 0 H ASP A 20 17.932 -1.328 2.555 1.00 0.00 H new ATOM 0 HA ASP A 20 16.819 -3.045 0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.949 -2.947 3.647 1.00 0.00 H new ATOM 0 HB3 ASP A 20 15.944 -4.157 2.875 1.00 0.00 H new ATOM 277 N PRO A 21 14.284 -3.023 0.801 1.00 0.00 N ATOM 278 CA PRO A 21 12.840 -2.816 0.655 1.00 0.00 C ATOM 279 C PRO A 21 12.084 -3.072 1.954 1.00 0.00 C ATOM 280 O PRO A 21 10.914 -2.712 2.084 1.00 0.00 O ATOM 281 CB PRO A 21 12.440 -3.842 -0.408 1.00 0.00 C ATOM 282 CG PRO A 21 13.473 -4.911 -0.311 1.00 0.00 C ATOM 283 CD PRO A 21 14.750 -4.218 0.077 1.00 0.00 C ATOM 0 HA PRO A 21 12.601 -1.787 0.385 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.442 -4.238 -0.220 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.424 -3.396 -1.402 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.193 -5.658 0.432 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.585 -5.433 -1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.375 -4.851 0.707 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.344 -3.952 -0.797 1.00 0.00 H new ATOM 291 N SER A 22 12.760 -3.695 2.914 1.00 0.00 N ATOM 292 CA SER A 22 12.150 -4.003 4.203 1.00 0.00 C ATOM 293 C SER A 22 11.854 -2.725 4.982 1.00 0.00 C ATOM 294 O SER A 22 10.705 -2.448 5.328 1.00 0.00 O ATOM 295 CB SER A 22 13.069 -4.911 5.022 1.00 0.00 C ATOM 296 OG SER A 22 13.134 -6.210 4.459 1.00 0.00 O ATOM 0 H SER A 22 13.730 -3.997 2.824 1.00 0.00 H new ATOM 0 HA SER A 22 11.210 -4.522 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.069 -4.479 5.065 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.705 -4.973 6.047 1.00 0.00 H new ATOM 0 HG SER A 22 13.729 -6.771 4.999 1.00 0.00 H new ATOM 302 N ASP A 23 12.898 -1.950 5.254 1.00 0.00 N ATOM 303 CA ASP A 23 12.751 -0.701 5.992 1.00 0.00 C ATOM 304 C ASP A 23 11.791 0.244 5.275 1.00 0.00 C ATOM 305 O ASP A 23 11.025 0.966 5.912 1.00 0.00 O ATOM 306 CB ASP A 23 14.112 -0.026 6.170 1.00 0.00 C ATOM 307 CG ASP A 23 14.058 1.142 7.135 1.00 0.00 C ATOM 308 OD1 ASP A 23 13.782 2.272 6.683 1.00 0.00 O ATOM 309 OD2 ASP A 23 14.292 0.925 8.343 1.00 0.00 O ATOM 0 H ASP A 23 13.855 -2.165 4.975 1.00 0.00 H new ATOM 0 HA ASP A 23 12.338 -0.934 6.974 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.833 -0.759 6.532 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.470 0.323 5.202 1.00 0.00 H new ATOM 314 N MET A 24 11.840 0.233 3.947 1.00 0.00 N ATOM 315 CA MET A 24 10.974 1.089 3.144 1.00 0.00 C ATOM 316 C MET A 24 9.514 0.921 3.552 1.00 0.00 C ATOM 317 O MET A 24 8.715 1.849 3.429 1.00 0.00 O ATOM 318 CB MET A 24 11.140 0.767 1.657 1.00 0.00 C ATOM 319 CG MET A 24 12.237 1.573 0.980 1.00 0.00 C ATOM 320 SD MET A 24 11.634 3.128 0.294 1.00 0.00 S ATOM 321 CE MET A 24 10.961 2.569 -1.269 1.00 0.00 C ATOM 0 H MET A 24 12.469 -0.358 3.404 1.00 0.00 H new ATOM 0 HA MET A 24 11.265 2.125 3.319 1.00 0.00 H new ATOM 0 HB2 MET A 24 11.359 -0.295 1.546 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.195 0.953 1.146 1.00 0.00 H new ATOM 0 HG2 MET A 24 13.027 1.781 1.701 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.681 0.977 0.183 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.105 3.341 -2.024 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.472 1.657 -1.580 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.896 2.367 -1.155 1.00 0.00 H new ATOM 331 N MET A 25 9.173 -0.268 4.038 1.00 0.00 N ATOM 332 CA MET A 25 7.808 -0.556 4.465 1.00 0.00 C ATOM 333 C MET A 25 7.545 0.008 5.858 1.00 0.00 C ATOM 334 O MET A 25 6.430 0.432 6.166 1.00 0.00 O ATOM 335 CB MET A 25 7.556 -2.064 4.457 1.00 0.00 C ATOM 336 CG MET A 25 7.218 -2.616 3.081 1.00 0.00 C ATOM 337 SD MET A 25 6.137 -4.057 3.157 1.00 0.00 S ATOM 338 CE MET A 25 4.541 -3.299 2.867 1.00 0.00 C ATOM 0 H MET A 25 9.822 -1.047 4.146 1.00 0.00 H new ATOM 0 HA MET A 25 7.125 -0.078 3.763 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.441 -2.574 4.837 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.739 -2.291 5.142 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.737 -1.837 2.489 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.140 -2.885 2.565 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.847 -3.600 3.652 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.647 -2.214 2.873 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.156 -3.620 1.899 1.00 0.00 H new ATOM 348 N ARG A 26 8.576 0.008 6.697 1.00 0.00 N ATOM 349 CA ARG A 26 8.454 0.518 8.057 1.00 0.00 C ATOM 350 C ARG A 26 8.245 2.029 8.055 1.00 0.00 C ATOM 351 O ARG A 26 7.547 2.570 8.912 1.00 0.00 O ATOM 352 CB ARG A 26 9.702 0.166 8.870 1.00 0.00 C ATOM 353 CG ARG A 26 9.879 -1.326 9.099 1.00 0.00 C ATOM 354 CD ARG A 26 11.056 -1.612 10.018 1.00 0.00 C ATOM 355 NE ARG A 26 11.043 -2.987 10.512 1.00 0.00 N ATOM 356 CZ ARG A 26 11.669 -3.377 11.616 1.00 0.00 C ATOM 357 NH1 ARG A 26 12.355 -2.501 12.338 1.00 0.00 N ATOM 358 NH2 ARG A 26 11.611 -4.645 12.001 1.00 0.00 N ATOM 0 H ARG A 26 9.505 -0.340 6.459 1.00 0.00 H new ATOM 0 HA ARG A 26 7.584 0.049 8.517 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.582 0.553 8.355 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.650 0.670 9.835 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.968 -1.739 9.533 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.032 -1.826 8.143 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.987 -1.428 9.482 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.032 -0.923 10.862 1.00 0.00 H new ATOM 0 HE ARG A 26 10.525 -3.686 9.979 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.403 -1.525 12.046 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.835 -2.803 13.186 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.085 -5.322 11.449 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.093 -4.943 12.849 1.00 0.00 H new ATOM 372 N GLU A 27 8.854 2.705 7.085 1.00 0.00 N ATOM 373 CA GLU A 27 8.735 4.154 6.973 1.00 0.00 C ATOM 374 C GLU A 27 7.376 4.545 6.399 1.00 0.00 C ATOM 375 O GLU A 27 6.596 5.244 7.046 1.00 0.00 O ATOM 376 CB GLU A 27 9.853 4.713 6.091 1.00 0.00 C ATOM 377 CG GLU A 27 9.945 6.229 6.113 1.00 0.00 C ATOM 378 CD GLU A 27 10.809 6.745 7.248 1.00 0.00 C ATOM 379 OE1 GLU A 27 11.719 6.008 7.683 1.00 0.00 O ATOM 380 OE2 GLU A 27 10.576 7.885 7.701 1.00 0.00 O ATOM 0 H GLU A 27 9.434 2.272 6.366 1.00 0.00 H new ATOM 0 HA GLU A 27 8.824 4.579 7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.805 4.295 6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.695 4.382 5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.352 6.578 5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.943 6.649 6.204 1.00 0.00 H new ATOM 387 N ILE A 28 7.102 4.090 5.182 1.00 0.00 N ATOM 388 CA ILE A 28 5.838 4.392 4.521 1.00 0.00 C ATOM 389 C ILE A 28 4.687 4.417 5.521 1.00 0.00 C ATOM 390 O ILE A 28 4.071 5.459 5.747 1.00 0.00 O ATOM 391 CB ILE A 28 5.521 3.366 3.417 1.00 0.00 C ATOM 392 CG1 ILE A 28 6.432 3.588 2.208 1.00 0.00 C ATOM 393 CG2 ILE A 28 4.058 3.461 3.009 1.00 0.00 C ATOM 394 CD1 ILE A 28 6.222 2.579 1.100 1.00 0.00 C ATOM 0 H ILE A 28 7.738 3.511 4.633 1.00 0.00 H new ATOM 0 HA ILE A 28 5.946 5.378 4.070 1.00 0.00 H new ATOM 0 HB ILE A 28 5.704 2.365 3.808 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.261 4.590 1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.471 3.547 2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.850 2.730 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.425 3.259 3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.849 4.463 2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.901 2.797 0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.421 1.576 1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.192 2.635 0.747 1.00 0.00 H new ATOM 406 N ARG A 29 4.404 3.264 6.118 1.00 0.00 N ATOM 407 CA ARG A 29 3.327 3.154 7.095 1.00 0.00 C ATOM 408 C ARG A 29 3.478 4.204 8.191 1.00 0.00 C ATOM 409 O ARG A 29 2.489 4.692 8.739 1.00 0.00 O ATOM 410 CB ARG A 29 3.312 1.755 7.713 1.00 0.00 C ATOM 411 CG ARG A 29 2.830 0.673 6.761 1.00 0.00 C ATOM 412 CD ARG A 29 3.165 -0.717 7.280 1.00 0.00 C ATOM 413 NE ARG A 29 2.985 -0.819 8.726 1.00 0.00 N ATOM 414 CZ ARG A 29 3.557 -1.756 9.473 1.00 0.00 C ATOM 415 NH1 ARG A 29 4.343 -2.666 8.914 1.00 0.00 N ATOM 416 NH2 ARG A 29 3.345 -1.784 10.783 1.00 0.00 N ATOM 0 H ARG A 29 4.905 2.393 5.943 1.00 0.00 H new ATOM 0 HA ARG A 29 2.383 3.326 6.579 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.317 1.506 8.053 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.671 1.763 8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.752 0.761 6.624 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.288 0.817 5.783 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.532 -1.452 6.783 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.196 -0.960 7.025 1.00 0.00 H new ATOM 0 HE ARG A 29 2.387 -0.133 9.187 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.509 -2.647 7.908 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.781 -3.385 9.490 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.742 -1.085 11.217 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.785 -2.504 11.356 1.00 0.00 H new ATOM 430 N LYS A 30 4.722 4.548 8.507 1.00 0.00 N ATOM 431 CA LYS A 30 5.004 5.542 9.536 1.00 0.00 C ATOM 432 C LYS A 30 4.470 6.912 9.132 1.00 0.00 C ATOM 433 O LYS A 30 3.770 7.569 9.903 1.00 0.00 O ATOM 434 CB LYS A 30 6.510 5.625 9.794 1.00 0.00 C ATOM 435 CG LYS A 30 6.863 6.177 11.164 1.00 0.00 C ATOM 436 CD LYS A 30 8.276 6.736 11.193 1.00 0.00 C ATOM 437 CE LYS A 30 8.318 8.170 10.686 1.00 0.00 C ATOM 438 NZ LYS A 30 8.183 8.238 9.205 1.00 0.00 N ATOM 0 H LYS A 30 5.552 4.153 8.065 1.00 0.00 H new ATOM 0 HA LYS A 30 4.501 5.232 10.452 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.943 4.630 9.690 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.967 6.253 9.030 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.155 6.960 11.435 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.767 5.389 11.911 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.663 6.697 12.211 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.928 6.113 10.580 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.516 8.743 11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.257 8.634 10.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.482 9.177 8.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.781 7.508 8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.191 8.077 8.939 1.00 0.00 H new ATOM 452 N VAL A 31 4.803 7.337 7.917 1.00 0.00 N ATOM 453 CA VAL A 31 4.354 8.628 7.409 1.00 0.00 C ATOM 454 C VAL A 31 2.845 8.637 7.189 1.00 0.00 C ATOM 455 O VAL A 31 2.164 9.606 7.528 1.00 0.00 O ATOM 456 CB VAL A 31 5.057 8.985 6.086 1.00 0.00 C ATOM 457 CG1 VAL A 31 4.300 10.087 5.360 1.00 0.00 C ATOM 458 CG2 VAL A 31 6.498 9.399 6.344 1.00 0.00 C ATOM 0 H VAL A 31 5.382 6.806 7.266 1.00 0.00 H new ATOM 0 HA VAL A 31 4.613 9.373 8.162 1.00 0.00 H new ATOM 0 HB VAL A 31 5.065 8.101 5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.811 10.326 4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.287 9.750 5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.259 10.976 5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.980 9.648 5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.515 10.269 7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.033 8.577 6.819 1.00 0.00 H new ATOM 468 N LEU A 32 2.329 7.554 6.620 1.00 0.00 N ATOM 469 CA LEU A 32 0.899 7.436 6.355 1.00 0.00 C ATOM 470 C LEU A 32 0.090 7.642 7.632 1.00 0.00 C ATOM 471 O LEU A 32 -1.009 8.194 7.600 1.00 0.00 O ATOM 472 CB LEU A 32 0.583 6.066 5.753 1.00 0.00 C ATOM 473 CG LEU A 32 0.866 5.908 4.259 1.00 0.00 C ATOM 474 CD1 LEU A 32 0.972 4.437 3.888 1.00 0.00 C ATOM 475 CD2 LEU A 32 -0.216 6.591 3.436 1.00 0.00 C ATOM 0 H LEU A 32 2.879 6.744 6.333 1.00 0.00 H new ATOM 0 HA LEU A 32 0.621 8.212 5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.157 5.313 6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.471 5.849 5.928 1.00 0.00 H new ATOM 0 HG LEU A 32 1.820 6.387 4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.174 4.345 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.784 3.977 4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.035 3.934 4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.002 6.468 2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.183 6.142 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.243 7.653 3.680 1.00 0.00 H new ATOM 487 N GLY A 33 0.643 7.197 8.756 1.00 0.00 N ATOM 488 CA GLY A 33 -0.040 7.344 10.028 1.00 0.00 C ATOM 489 C GLY A 33 0.023 8.762 10.559 1.00 0.00 C ATOM 490 O GLY A 33 -0.883 9.209 11.262 1.00 0.00 O ATOM 0 H GLY A 33 1.552 6.737 8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.083 7.048 9.913 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.405 6.666 10.756 1.00 0.00 H new ATOM 494 N ALA A 34 1.097 9.470 10.225 1.00 0.00 N ATOM 495 CA ALA A 34 1.274 10.846 10.674 1.00 0.00 C ATOM 496 C ALA A 34 0.203 11.758 10.085 1.00 0.00 C ATOM 497 O ALA A 34 -0.294 12.660 10.756 1.00 0.00 O ATOM 498 CB ALA A 34 2.661 11.348 10.301 1.00 0.00 C ATOM 0 H ALA A 34 1.857 9.114 9.646 1.00 0.00 H new ATOM 0 HA ALA A 34 1.172 10.864 11.759 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.780 12.376 10.642 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.415 10.719 10.775 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.783 11.308 9.219 1.00 0.00 H new ATOM 504 N ASN A 35 -0.146 11.516 8.825 1.00 0.00 N ATOM 505 CA ASN A 35 -1.157 12.317 8.145 1.00 0.00 C ATOM 506 C ASN A 35 -2.559 11.810 8.468 1.00 0.00 C ATOM 507 O ASN A 35 -3.551 12.339 7.967 1.00 0.00 O ATOM 508 CB ASN A 35 -0.928 12.289 6.633 1.00 0.00 C ATOM 509 CG ASN A 35 0.324 13.041 6.224 1.00 0.00 C ATOM 510 OD1 ASN A 35 0.319 14.268 6.121 1.00 0.00 O ATOM 511 ND2 ASN A 35 1.405 12.306 5.989 1.00 0.00 N ATOM 0 H ASN A 35 0.256 10.772 8.255 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.070 13.344 8.499 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.853 11.254 6.299 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.791 12.725 6.129 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.277 12.756 5.711 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.363 11.292 6.087 1.00 0.00 H new ATOM 518 N ASN A 36 -2.633 10.783 9.308 1.00 0.00 N ATOM 519 CA ASN A 36 -3.914 10.204 9.697 1.00 0.00 C ATOM 520 C ASN A 36 -4.603 9.554 8.502 1.00 0.00 C ATOM 521 O ASN A 36 -5.810 9.704 8.311 1.00 0.00 O ATOM 522 CB ASN A 36 -4.820 11.279 10.300 1.00 0.00 C ATOM 523 CG ASN A 36 -4.103 12.130 11.330 1.00 0.00 C ATOM 524 OD1 ASN A 36 -3.385 11.614 12.187 1.00 0.00 O ATOM 525 ND2 ASN A 36 -4.294 13.442 11.250 1.00 0.00 N ATOM 0 H ASN A 36 -1.821 10.334 9.732 1.00 0.00 H new ATOM 0 HA ASN A 36 -3.725 9.435 10.446 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.198 11.920 9.503 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.684 10.803 10.764 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.837 14.065 11.915 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.898 13.826 10.523 1.00 0.00 H new ATOM 532 N CYS A 37 -3.828 8.830 7.701 1.00 0.00 N ATOM 533 CA CYS A 37 -4.363 8.156 6.523 1.00 0.00 C ATOM 534 C CYS A 37 -4.650 6.688 6.821 1.00 0.00 C ATOM 535 O CYS A 37 -4.222 6.157 7.845 1.00 0.00 O ATOM 536 CB CYS A 37 -3.383 8.271 5.355 1.00 0.00 C ATOM 537 SG CYS A 37 -3.090 9.967 4.801 1.00 0.00 S ATOM 0 H CYS A 37 -2.827 8.695 7.846 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.300 8.642 6.250 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.432 7.826 5.648 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.763 7.687 4.517 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.138 10.694 5.055 1.00 0.00 H new ATOM 543 N ASP A 38 -5.377 6.039 5.919 1.00 0.00 N ATOM 544 CA ASP A 38 -5.722 4.631 6.084 1.00 0.00 C ATOM 545 C ASP A 38 -4.948 3.762 5.098 1.00 0.00 C ATOM 546 O ASP A 38 -5.124 3.874 3.885 1.00 0.00 O ATOM 547 CB ASP A 38 -7.226 4.427 5.892 1.00 0.00 C ATOM 548 CG ASP A 38 -8.003 4.597 7.182 1.00 0.00 C ATOM 549 OD1 ASP A 38 -7.653 3.931 8.179 1.00 0.00 O ATOM 550 OD2 ASP A 38 -8.961 5.398 7.195 1.00 0.00 O ATOM 0 H ASP A 38 -5.739 6.465 5.066 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.449 4.332 7.096 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.595 5.138 5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.406 3.429 5.492 1.00 0.00 H new ATOM 555 N TYR A 39 -4.089 2.898 5.627 1.00 0.00 N ATOM 556 CA TYR A 39 -3.285 2.013 4.794 1.00 0.00 C ATOM 557 C TYR A 39 -3.567 0.550 5.123 1.00 0.00 C ATOM 558 O TYR A 39 -3.404 0.116 6.263 1.00 0.00 O ATOM 559 CB TYR A 39 -1.796 2.311 4.984 1.00 0.00 C ATOM 560 CG TYR A 39 -1.327 2.164 6.414 1.00 0.00 C ATOM 561 CD1 TYR A 39 -0.862 0.945 6.891 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.348 3.245 7.287 1.00 0.00 C ATOM 563 CE1 TYR A 39 -0.433 0.806 8.197 1.00 0.00 C ATOM 564 CE2 TYR A 39 -0.919 3.115 8.594 1.00 0.00 C ATOM 565 CZ TYR A 39 -0.463 1.894 9.044 1.00 0.00 C ATOM 566 OH TYR A 39 -0.035 1.760 10.345 1.00 0.00 O ATOM 0 H TYR A 39 -3.932 2.792 6.629 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.555 2.192 3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.216 1.641 4.349 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.591 3.327 4.646 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.835 0.091 6.230 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.706 4.203 6.938 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.076 -0.149 8.553 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.941 3.965 9.260 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.120 2.620 10.808 1.00 0.00 H new ATOM 576 N GLU A 40 -3.991 -0.205 4.114 1.00 0.00 N ATOM 577 CA GLU A 40 -4.297 -1.620 4.295 1.00 0.00 C ATOM 578 C GLU A 40 -3.353 -2.490 3.471 1.00 0.00 C ATOM 579 O GLU A 40 -2.785 -2.038 2.477 1.00 0.00 O ATOM 580 CB GLU A 40 -5.747 -1.906 3.901 1.00 0.00 C ATOM 581 CG GLU A 40 -6.284 -3.212 4.462 1.00 0.00 C ATOM 582 CD GLU A 40 -7.770 -3.386 4.213 1.00 0.00 C ATOM 583 OE1 GLU A 40 -8.202 -3.203 3.055 1.00 0.00 O ATOM 584 OE2 GLU A 40 -8.500 -3.704 5.175 1.00 0.00 O ATOM 0 H GLU A 40 -4.130 0.139 3.164 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.160 -1.863 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.377 -1.086 4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.821 -1.930 2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.744 -4.046 4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.092 -3.249 5.534 1.00 0.00 H new ATOM 591 N GLN A 41 -3.190 -3.740 3.893 1.00 0.00 N ATOM 592 CA GLN A 41 -2.314 -4.673 3.194 1.00 0.00 C ATOM 593 C GLN A 41 -2.999 -5.239 1.955 1.00 0.00 C ATOM 594 O GLN A 41 -3.895 -6.078 2.057 1.00 0.00 O ATOM 595 CB GLN A 41 -1.900 -5.813 4.128 1.00 0.00 C ATOM 596 CG GLN A 41 -1.036 -6.867 3.455 1.00 0.00 C ATOM 597 CD GLN A 41 -0.090 -7.550 4.422 1.00 0.00 C ATOM 598 OE1 GLN A 41 -0.457 -7.855 5.557 1.00 0.00 O ATOM 599 NE2 GLN A 41 1.137 -7.795 3.977 1.00 0.00 N ATOM 0 H GLN A 41 -3.652 -4.130 4.714 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.424 -4.129 2.878 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.357 -5.397 4.977 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.796 -6.289 4.526 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.678 -7.616 2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.459 -6.402 2.655 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.399 -7.525 3.029 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.817 -8.253 4.583 1.00 0.00 H new ATOM 608 N ARG A 42 -2.572 -4.775 0.785 1.00 0.00 N ATOM 609 CA ARG A 42 -3.146 -5.234 -0.474 1.00 0.00 C ATOM 610 C ARG A 42 -2.406 -6.464 -0.992 1.00 0.00 C ATOM 611 O ARG A 42 -2.935 -7.574 -0.965 1.00 0.00 O ATOM 612 CB ARG A 42 -3.095 -4.117 -1.519 1.00 0.00 C ATOM 613 CG ARG A 42 -4.327 -3.227 -1.520 1.00 0.00 C ATOM 614 CD ARG A 42 -5.396 -3.756 -2.463 1.00 0.00 C ATOM 615 NE ARG A 42 -6.291 -4.701 -1.801 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.082 -5.546 -2.454 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.087 -5.564 -3.780 1.00 0.00 N ATOM 618 NH2 ARG A 42 -7.869 -6.375 -1.781 1.00 0.00 N ATOM 0 H ARG A 42 -1.831 -4.082 0.683 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.186 -5.506 -0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.213 -3.502 -1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.977 -4.561 -2.507 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.731 -3.162 -0.510 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.047 -2.216 -1.816 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.977 -2.922 -2.857 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.920 -4.243 -3.314 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.310 -4.713 -0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.483 -4.928 -4.301 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.695 -6.213 -4.279 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.868 -6.364 -0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.476 -7.023 -2.283 1.00 0.00 H new ATOM 632 N GLU A 43 -1.181 -6.256 -1.464 1.00 0.00 N ATOM 633 CA GLU A 43 -0.370 -7.349 -1.989 1.00 0.00 C ATOM 634 C GLU A 43 0.838 -7.609 -1.094 1.00 0.00 C ATOM 635 O GLU A 43 1.000 -6.973 -0.052 1.00 0.00 O ATOM 636 CB GLU A 43 0.095 -7.030 -3.412 1.00 0.00 C ATOM 637 CG GLU A 43 -1.003 -6.469 -4.300 1.00 0.00 C ATOM 638 CD GLU A 43 -1.968 -7.536 -4.778 1.00 0.00 C ATOM 639 OE1 GLU A 43 -2.869 -7.914 -4.000 1.00 0.00 O ATOM 640 OE2 GLU A 43 -1.823 -7.994 -5.931 1.00 0.00 O ATOM 0 H GLU A 43 -0.729 -5.342 -1.494 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.986 -8.248 -2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.915 -6.313 -3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.491 -7.937 -3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.554 -5.705 -3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.552 -5.979 -5.163 1.00 0.00 H new ATOM 647 N ARG A 44 1.681 -8.549 -1.507 1.00 0.00 N ATOM 648 CA ARG A 44 2.873 -8.896 -0.742 1.00 0.00 C ATOM 649 C ARG A 44 3.601 -7.640 -0.271 1.00 0.00 C ATOM 650 O ARG A 44 3.992 -7.536 0.891 1.00 0.00 O ATOM 651 CB ARG A 44 3.814 -9.758 -1.586 1.00 0.00 C ATOM 652 CG ARG A 44 5.062 -10.205 -0.842 1.00 0.00 C ATOM 653 CD ARG A 44 6.096 -10.790 -1.791 1.00 0.00 C ATOM 654 NE ARG A 44 6.944 -11.780 -1.134 1.00 0.00 N ATOM 655 CZ ARG A 44 6.551 -13.019 -0.860 1.00 0.00 C ATOM 656 NH1 ARG A 44 5.329 -13.417 -1.187 1.00 0.00 N ATOM 657 NH2 ARG A 44 7.380 -13.863 -0.260 1.00 0.00 N ATOM 0 H ARG A 44 1.561 -9.084 -2.367 1.00 0.00 H new ATOM 0 HA ARG A 44 2.560 -9.464 0.134 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.273 -10.638 -1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.111 -9.197 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.493 -9.357 -0.310 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.793 -10.949 -0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.590 -11.252 -2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.717 -9.988 -2.189 1.00 0.00 H new ATOM 0 HE ARG A 44 7.890 -11.505 -0.871 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.689 -12.771 -1.650 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.029 -14.369 -0.976 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.321 -13.561 -0.008 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.076 -14.814 -0.050 1.00 0.00 H new ATOM 671 N PHE A 45 3.781 -6.690 -1.183 1.00 0.00 N ATOM 672 CA PHE A 45 4.463 -5.442 -0.862 1.00 0.00 C ATOM 673 C PHE A 45 3.673 -4.242 -1.376 1.00 0.00 C ATOM 674 O PHE A 45 4.250 -3.239 -1.798 1.00 0.00 O ATOM 675 CB PHE A 45 5.870 -5.436 -1.463 1.00 0.00 C ATOM 676 CG PHE A 45 6.911 -6.031 -0.559 1.00 0.00 C ATOM 677 CD1 PHE A 45 7.394 -5.319 0.527 1.00 0.00 C ATOM 678 CD2 PHE A 45 7.406 -7.304 -0.795 1.00 0.00 C ATOM 679 CE1 PHE A 45 8.352 -5.864 1.360 1.00 0.00 C ATOM 680 CE2 PHE A 45 8.365 -7.855 0.035 1.00 0.00 C ATOM 681 CZ PHE A 45 8.838 -7.134 1.114 1.00 0.00 C ATOM 0 H PHE A 45 3.464 -6.761 -2.150 1.00 0.00 H new ATOM 0 HA PHE A 45 4.538 -5.367 0.223 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.857 -5.989 -2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.150 -4.410 -1.701 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.017 -4.326 0.725 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.038 -7.872 -1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.721 -5.298 2.203 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.744 -8.847 -0.160 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.586 -7.562 1.764 1.00 0.00 H new ATOM 691 N LEU A 46 2.350 -4.353 -1.338 1.00 0.00 N ATOM 692 CA LEU A 46 1.478 -3.278 -1.800 1.00 0.00 C ATOM 693 C LEU A 46 0.417 -2.950 -0.755 1.00 0.00 C ATOM 694 O LEU A 46 -0.266 -3.841 -0.247 1.00 0.00 O ATOM 695 CB LEU A 46 0.809 -3.669 -3.118 1.00 0.00 C ATOM 696 CG LEU A 46 -0.013 -2.576 -3.804 1.00 0.00 C ATOM 697 CD1 LEU A 46 0.649 -1.218 -3.624 1.00 0.00 C ATOM 698 CD2 LEU A 46 -0.192 -2.892 -5.282 1.00 0.00 C ATOM 0 H LEU A 46 1.857 -5.176 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 46 2.090 -2.390 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.582 -4.002 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.158 -4.523 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.998 -2.542 -3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.050 -0.453 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.725 -0.988 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.646 -1.238 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.779 -2.104 -5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.785 -2.954 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.710 -3.845 -5.390 1.00 0.00 H new ATOM 710 N LEU A 47 0.281 -1.667 -0.439 1.00 0.00 N ATOM 711 CA LEU A 47 -0.699 -1.220 0.544 1.00 0.00 C ATOM 712 C LEU A 47 -1.686 -0.238 -0.078 1.00 0.00 C ATOM 713 O LEU A 47 -1.331 0.536 -0.968 1.00 0.00 O ATOM 714 CB LEU A 47 0.004 -0.567 1.735 1.00 0.00 C ATOM 715 CG LEU A 47 1.017 -1.440 2.477 1.00 0.00 C ATOM 716 CD1 LEU A 47 2.033 -0.575 3.208 1.00 0.00 C ATOM 717 CD2 LEU A 47 0.308 -2.371 3.450 1.00 0.00 C ATOM 0 H LEU A 47 0.838 -0.917 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.252 -2.093 0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.515 0.329 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.755 -0.242 2.446 1.00 0.00 H new ATOM 0 HG LEU A 47 1.548 -2.049 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.746 -1.213 3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.564 0.049 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.518 0.060 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.045 -2.984 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.250 -1.781 4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.379 -3.015 2.902 1.00 0.00 H new ATOM 729 N PHE A 48 -2.927 -0.273 0.396 1.00 0.00 N ATOM 730 CA PHE A 48 -3.966 0.615 -0.114 1.00 0.00 C ATOM 731 C PHE A 48 -4.086 1.864 0.753 1.00 0.00 C ATOM 732 O PHE A 48 -4.603 1.811 1.870 1.00 0.00 O ATOM 733 CB PHE A 48 -5.310 -0.115 -0.165 1.00 0.00 C ATOM 734 CG PHE A 48 -6.313 0.540 -1.071 1.00 0.00 C ATOM 735 CD1 PHE A 48 -6.256 0.349 -2.443 1.00 0.00 C ATOM 736 CD2 PHE A 48 -7.314 1.345 -0.552 1.00 0.00 C ATOM 737 CE1 PHE A 48 -7.177 0.952 -3.278 1.00 0.00 C ATOM 738 CE2 PHE A 48 -8.238 1.950 -1.383 1.00 0.00 C ATOM 739 CZ PHE A 48 -8.170 1.752 -2.748 1.00 0.00 C ATOM 0 H PHE A 48 -3.238 -0.907 1.132 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.687 0.919 -1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.146 -1.140 -0.498 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.723 -0.170 0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.484 -0.278 -2.864 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.373 1.502 0.515 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.120 0.798 -4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.012 2.577 -0.965 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.892 2.222 -3.400 1.00 0.00 H new ATOM 749 N CYS A 49 -3.606 2.987 0.231 1.00 0.00 N ATOM 750 CA CYS A 49 -3.657 4.251 0.957 1.00 0.00 C ATOM 751 C CYS A 49 -4.978 4.971 0.703 1.00 0.00 C ATOM 752 O CYS A 49 -5.460 5.024 -0.429 1.00 0.00 O ATOM 753 CB CYS A 49 -2.487 5.147 0.548 1.00 0.00 C ATOM 754 SG CYS A 49 -0.872 4.340 0.643 1.00 0.00 S ATOM 0 H CYS A 49 -3.177 3.048 -0.692 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.582 4.032 2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.648 5.494 -0.473 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.478 6.030 1.187 1.00 0.00 H new ATOM 0 HG CYS A 49 0.055 5.183 0.297 1.00 0.00 H new ATOM 760 N VAL A 50 -5.559 5.523 1.763 1.00 0.00 N ATOM 761 CA VAL A 50 -6.825 6.239 1.655 1.00 0.00 C ATOM 762 C VAL A 50 -6.808 7.514 2.490 1.00 0.00 C ATOM 763 O VAL A 50 -6.466 7.490 3.673 1.00 0.00 O ATOM 764 CB VAL A 50 -8.007 5.360 2.103 1.00 0.00 C ATOM 765 CG1 VAL A 50 -9.277 6.190 2.217 1.00 0.00 C ATOM 766 CG2 VAL A 50 -8.204 4.200 1.140 1.00 0.00 C ATOM 0 H VAL A 50 -5.173 5.488 2.707 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.953 6.498 0.604 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.779 4.950 3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.101 5.552 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.129 6.983 2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.512 6.631 1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.044 3.590 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.409 4.587 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.300 3.591 1.114 1.00 0.00 H new ATOM 776 N HIS A 51 -7.179 8.628 1.867 1.00 0.00 N ATOM 777 CA HIS A 51 -7.208 9.915 2.554 1.00 0.00 C ATOM 778 C HIS A 51 -8.447 10.713 2.160 1.00 0.00 C ATOM 779 O HIS A 51 -9.042 10.477 1.110 1.00 0.00 O ATOM 780 CB HIS A 51 -5.947 10.717 2.232 1.00 0.00 C ATOM 781 CG HIS A 51 -5.590 11.721 3.285 1.00 0.00 C ATOM 782 ND1 HIS A 51 -5.691 11.663 4.633 1.00 0.00 N flip ATOM 783 CD2 HIS A 51 -5.061 12.960 2.994 1.00 0.00 C flip ATOM 784 CE1 HIS A 51 -5.225 12.856 5.128 1.00 0.00 C flip ATOM 785 NE2 HIS A 51 -4.850 13.621 4.119 1.00 0.00 N flip ATOM 0 H HIS A 51 -7.464 8.666 0.888 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.245 9.726 3.627 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.112 10.029 2.100 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.087 11.233 1.282 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.852 13.332 2.002 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.174 13.125 6.173 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.463 14.562 4.195 1.00 0.00 H new ATOM 794 N GLY A 52 -8.831 11.660 3.011 1.00 0.00 N ATOM 795 CA GLY A 52 -9.997 12.478 2.735 1.00 0.00 C ATOM 796 C GLY A 52 -9.812 13.918 3.170 1.00 0.00 C ATOM 797 O GLY A 52 -10.317 14.327 4.216 1.00 0.00 O ATOM 0 H GLY A 52 -8.355 11.875 3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.212 12.449 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.862 12.056 3.246 1.00 0.00 H new ATOM 801 N ASP A 53 -9.085 14.688 2.368 1.00 0.00 N ATOM 802 CA ASP A 53 -8.833 16.091 2.677 1.00 0.00 C ATOM 803 C ASP A 53 -9.934 16.979 2.106 1.00 0.00 C ATOM 804 O ASP A 53 -9.755 18.186 1.951 1.00 0.00 O ATOM 805 CB ASP A 53 -7.475 16.522 2.122 1.00 0.00 C ATOM 806 CG ASP A 53 -6.877 17.684 2.891 1.00 0.00 C ATOM 807 OD1 ASP A 53 -7.073 17.744 4.123 1.00 0.00 O ATOM 808 OD2 ASP A 53 -6.213 18.533 2.261 1.00 0.00 O ATOM 0 H ASP A 53 -8.660 14.365 1.499 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.826 16.203 3.761 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.788 15.677 2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.586 16.802 1.075 1.00 0.00 H new ATOM 813 N GLY A 54 -11.075 16.371 1.793 1.00 0.00 N ATOM 814 CA GLY A 54 -12.188 17.122 1.241 1.00 0.00 C ATOM 815 C GLY A 54 -13.531 16.533 1.626 1.00 0.00 C ATOM 816 O GLY A 54 -13.824 16.357 2.809 1.00 0.00 O ATOM 0 H GLY A 54 -11.248 15.373 1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.134 18.154 1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.103 17.146 0.155 1.00 0.00 H new ATOM 820 N HIS A 55 -14.351 16.230 0.625 1.00 0.00 N ATOM 821 CA HIS A 55 -15.672 15.659 0.864 1.00 0.00 C ATOM 822 C HIS A 55 -15.707 14.186 0.467 1.00 0.00 C ATOM 823 O HIS A 55 -14.765 13.673 -0.136 1.00 0.00 O ATOM 824 CB HIS A 55 -16.735 16.435 0.086 1.00 0.00 C ATOM 825 CG HIS A 55 -16.472 17.908 0.018 1.00 0.00 C ATOM 826 ND1 HIS A 55 -15.404 18.596 -0.449 1.00 0.00 N flip ATOM 827 CD2 HIS A 55 -17.368 18.854 0.469 1.00 0.00 C flip ATOM 828 CE1 HIS A 55 -15.673 19.931 -0.276 1.00 0.00 C flip ATOM 829 NE2 HIS A 55 -16.864 20.060 0.280 1.00 0.00 N flip ATOM 0 H HIS A 55 -14.124 16.370 -0.360 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.886 15.735 1.930 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -16.794 16.038 -0.927 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -17.707 16.269 0.551 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -14.557 18.197 -0.854 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -18.332 18.642 0.908 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -15.017 20.744 -0.550 1.00 0.00 H new ATOM 838 N ALA A 56 -16.800 13.512 0.810 1.00 0.00 N ATOM 839 CA ALA A 56 -16.958 12.099 0.488 1.00 0.00 C ATOM 840 C ALA A 56 -17.057 11.887 -1.019 1.00 0.00 C ATOM 841 O ALA A 56 -16.366 11.038 -1.582 1.00 0.00 O ATOM 842 CB ALA A 56 -18.188 11.534 1.183 1.00 0.00 C ATOM 0 H ALA A 56 -17.589 13.922 1.311 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.075 11.569 0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -18.294 10.478 0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -18.078 11.643 2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -19.074 12.076 0.852 1.00 0.00 H new ATOM 848 N GLU A 57 -17.920 12.664 -1.666 1.00 0.00 N ATOM 849 CA GLU A 57 -18.108 12.559 -3.109 1.00 0.00 C ATOM 850 C GLU A 57 -16.778 12.699 -3.843 1.00 0.00 C ATOM 851 O GLU A 57 -16.649 12.294 -4.997 1.00 0.00 O ATOM 852 CB GLU A 57 -19.087 13.629 -3.597 1.00 0.00 C ATOM 853 CG GLU A 57 -19.062 14.902 -2.766 1.00 0.00 C ATOM 854 CD GLU A 57 -19.515 16.118 -3.549 1.00 0.00 C ATOM 855 OE1 GLU A 57 -19.277 16.159 -4.774 1.00 0.00 O ATOM 856 OE2 GLU A 57 -20.108 17.030 -2.936 1.00 0.00 O ATOM 0 H GLU A 57 -18.499 13.372 -1.215 1.00 0.00 H new ATOM 0 HA GLU A 57 -18.520 11.573 -3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -18.855 13.877 -4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -20.096 13.218 -3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.705 14.775 -1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -18.051 15.069 -2.395 1.00 0.00 H new ATOM 863 N ASN A 58 -15.791 13.275 -3.164 1.00 0.00 N ATOM 864 CA ASN A 58 -14.471 13.470 -3.751 1.00 0.00 C ATOM 865 C ASN A 58 -13.382 12.915 -2.838 1.00 0.00 C ATOM 866 O ASN A 58 -12.494 13.647 -2.397 1.00 0.00 O ATOM 867 CB ASN A 58 -14.222 14.955 -4.017 1.00 0.00 C ATOM 868 CG ASN A 58 -14.972 15.850 -3.049 1.00 0.00 C ATOM 869 OD1 ASN A 58 -14.412 16.318 -2.058 1.00 0.00 O ATOM 870 ND2 ASN A 58 -16.247 16.090 -3.333 1.00 0.00 N ATOM 0 H ASN A 58 -15.881 13.615 -2.206 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.438 12.929 -4.696 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.154 15.160 -3.944 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.524 15.194 -5.037 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.803 16.684 -2.718 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.670 15.681 -4.166 1.00 0.00 H new ATOM 877 N LEU A 59 -13.456 11.619 -2.558 1.00 0.00 N ATOM 878 CA LEU A 59 -12.476 10.965 -1.697 1.00 0.00 C ATOM 879 C LEU A 59 -11.251 10.532 -2.497 1.00 0.00 C ATOM 880 O LEU A 59 -11.359 10.164 -3.666 1.00 0.00 O ATOM 881 CB LEU A 59 -13.103 9.753 -1.007 1.00 0.00 C ATOM 882 CG LEU A 59 -12.446 9.311 0.302 1.00 0.00 C ATOM 883 CD1 LEU A 59 -11.207 8.475 0.021 1.00 0.00 C ATOM 884 CD2 LEU A 59 -12.094 10.519 1.156 1.00 0.00 C ATOM 0 H LEU A 59 -14.184 11.000 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 59 -12.158 11.682 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -14.151 9.976 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.083 8.914 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 59 -13.157 8.696 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.753 8.169 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.487 7.590 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.492 9.065 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.628 10.186 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.401 11.160 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.001 11.078 1.387 1.00 0.00 H new ATOM 896 N VAL A 60 -10.087 10.577 -1.857 1.00 0.00 N ATOM 897 CA VAL A 60 -8.842 10.187 -2.507 1.00 0.00 C ATOM 898 C VAL A 60 -8.405 8.795 -2.065 1.00 0.00 C ATOM 899 O VAL A 60 -8.302 8.516 -0.871 1.00 0.00 O ATOM 900 CB VAL A 60 -7.712 11.188 -2.203 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.364 10.611 -2.606 1.00 0.00 C ATOM 902 CG2 VAL A 60 -7.968 12.510 -2.912 1.00 0.00 C ATOM 0 H VAL A 60 -9.980 10.880 -0.889 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.033 10.182 -3.580 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.694 11.374 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.578 11.333 -2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.181 9.692 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.366 10.394 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.160 13.206 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.013 12.343 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.914 12.929 -2.570 1.00 0.00 H new ATOM 912 N GLN A 61 -8.147 7.925 -3.037 1.00 0.00 N ATOM 913 CA GLN A 61 -7.721 6.561 -2.748 1.00 0.00 C ATOM 914 C GLN A 61 -6.589 6.136 -3.677 1.00 0.00 C ATOM 915 O GLN A 61 -6.768 6.055 -4.892 1.00 0.00 O ATOM 916 CB GLN A 61 -8.899 5.596 -2.885 1.00 0.00 C ATOM 917 CG GLN A 61 -10.120 6.007 -2.078 1.00 0.00 C ATOM 918 CD GLN A 61 -10.982 4.825 -1.679 1.00 0.00 C ATOM 919 OE1 GLN A 61 -11.430 4.054 -2.528 1.00 0.00 O ATOM 920 NE2 GLN A 61 -11.218 4.676 -0.381 1.00 0.00 N ATOM 0 H GLN A 61 -8.226 8.141 -4.031 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.355 6.532 -1.722 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.177 5.522 -3.936 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.582 4.602 -2.568 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.797 6.535 -1.181 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.718 6.707 -2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.826 5.339 0.288 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.791 3.898 -0.053 1.00 0.00 H new ATOM 929 N TRP A 62 -5.425 5.866 -3.098 1.00 0.00 N ATOM 930 CA TRP A 62 -4.263 5.450 -3.876 1.00 0.00 C ATOM 931 C TRP A 62 -3.483 4.361 -3.148 1.00 0.00 C ATOM 932 O TRP A 62 -3.638 4.176 -1.941 1.00 0.00 O ATOM 933 CB TRP A 62 -3.353 6.648 -4.153 1.00 0.00 C ATOM 934 CG TRP A 62 -2.479 7.011 -2.991 1.00 0.00 C ATOM 935 CD1 TRP A 62 -1.139 6.781 -2.870 1.00 0.00 C ATOM 936 CD2 TRP A 62 -2.886 7.669 -1.786 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.687 7.255 -1.661 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.740 7.805 -0.978 1.00 0.00 C ATOM 939 CE3 TRP A 62 -4.106 8.157 -1.311 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -1.781 8.408 0.276 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -4.145 8.755 -0.065 1.00 0.00 C ATOM 942 CH2 TRP A 62 -2.988 8.877 0.716 1.00 0.00 C ATOM 0 H TRP A 62 -5.260 5.927 -2.093 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.617 5.045 -4.824 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.725 6.426 -5.016 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.967 7.508 -4.419 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.524 6.298 -3.615 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.275 7.205 -1.327 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -5.003 8.069 -1.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.891 8.502 0.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.083 9.134 0.313 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.051 9.351 1.685 1.00 0.00 H new ATOM 953 N GLU A 63 -2.644 3.644 -3.889 1.00 0.00 N ATOM 954 CA GLU A 63 -1.840 2.573 -3.311 1.00 0.00 C ATOM 955 C GLU A 63 -0.352 2.897 -3.406 1.00 0.00 C ATOM 956 O GLU A 63 0.044 3.854 -4.071 1.00 0.00 O ATOM 957 CB GLU A 63 -2.131 1.248 -4.020 1.00 0.00 C ATOM 958 CG GLU A 63 -3.603 1.033 -4.329 1.00 0.00 C ATOM 959 CD GLU A 63 -3.897 -0.370 -4.822 1.00 0.00 C ATOM 960 OE1 GLU A 63 -3.887 -1.304 -3.993 1.00 0.00 O ATOM 961 OE2 GLU A 63 -4.136 -0.535 -6.037 1.00 0.00 O ATOM 0 H GLU A 63 -2.503 3.785 -4.889 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.107 2.481 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.564 1.211 -4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.775 0.427 -3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.191 1.230 -3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.921 1.753 -5.083 1.00 0.00 H new ATOM 968 N MET A 64 0.467 2.093 -2.736 1.00 0.00 N ATOM 969 CA MET A 64 1.911 2.294 -2.745 1.00 0.00 C ATOM 970 C MET A 64 2.646 0.957 -2.740 1.00 0.00 C ATOM 971 O MET A 64 2.648 0.245 -1.737 1.00 0.00 O ATOM 972 CB MET A 64 2.339 3.129 -1.537 1.00 0.00 C ATOM 973 CG MET A 64 1.888 4.579 -1.610 1.00 0.00 C ATOM 974 SD MET A 64 2.231 5.490 -0.092 1.00 0.00 S ATOM 975 CE MET A 64 3.864 6.134 -0.446 1.00 0.00 C ATOM 0 H MET A 64 0.155 1.297 -2.180 1.00 0.00 H new ATOM 0 HA MET A 64 2.172 2.829 -3.658 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.935 2.677 -0.631 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.425 3.099 -1.451 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.389 5.070 -2.445 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.818 4.613 -1.816 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.535 5.898 0.380 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.243 5.681 -1.362 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.809 7.215 -0.571 1.00 0.00 H new ATOM 985 N GLU A 65 3.268 0.624 -3.867 1.00 0.00 N ATOM 986 CA GLU A 65 4.005 -0.628 -3.990 1.00 0.00 C ATOM 987 C GLU A 65 5.505 -0.393 -3.844 1.00 0.00 C ATOM 988 O GLU A 65 6.041 0.600 -4.336 1.00 0.00 O ATOM 989 CB GLU A 65 3.710 -1.288 -5.339 1.00 0.00 C ATOM 990 CG GLU A 65 4.613 -2.470 -5.648 1.00 0.00 C ATOM 991 CD GLU A 65 4.384 -3.031 -7.038 1.00 0.00 C ATOM 992 OE1 GLU A 65 3.284 -3.566 -7.289 1.00 0.00 O ATOM 993 OE2 GLU A 65 5.306 -2.934 -7.876 1.00 0.00 O ATOM 0 H GLU A 65 3.276 1.203 -4.707 1.00 0.00 H new ATOM 0 HA GLU A 65 3.679 -1.292 -3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.672 -1.621 -5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.816 -0.544 -6.129 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.654 -2.162 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.443 -3.255 -4.911 1.00 0.00 H new ATOM 1000 N VAL A 66 6.179 -1.314 -3.162 1.00 0.00 N ATOM 1001 CA VAL A 66 7.618 -1.208 -2.950 1.00 0.00 C ATOM 1002 C VAL A 66 8.359 -2.352 -3.634 1.00 0.00 C ATOM 1003 O VAL A 66 8.079 -3.525 -3.382 1.00 0.00 O ATOM 1004 CB VAL A 66 7.966 -1.210 -1.450 1.00 0.00 C ATOM 1005 CG1 VAL A 66 9.467 -1.074 -1.250 1.00 0.00 C ATOM 1006 CG2 VAL A 66 7.221 -0.096 -0.730 1.00 0.00 C ATOM 0 H VAL A 66 5.752 -2.142 -2.747 1.00 0.00 H new ATOM 0 HA VAL A 66 7.934 -0.261 -3.387 1.00 0.00 H new ATOM 0 HB VAL A 66 7.652 -2.162 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.694 -1.077 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.975 -1.909 -1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.809 -0.138 -1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.478 -0.112 0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.503 0.866 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.147 -0.243 -0.845 1.00 0.00 H new ATOM 1016 N CYS A 67 9.305 -2.003 -4.498 1.00 0.00 N ATOM 1017 CA CYS A 67 10.088 -3.001 -5.219 1.00 0.00 C ATOM 1018 C CYS A 67 11.268 -2.352 -5.935 1.00 0.00 C ATOM 1019 O CYS A 67 11.255 -1.154 -6.218 1.00 0.00 O ATOM 1020 CB CYS A 67 9.207 -3.739 -6.228 1.00 0.00 C ATOM 1021 SG CYS A 67 9.768 -5.414 -6.611 1.00 0.00 S ATOM 0 H CYS A 67 9.549 -1.037 -4.717 1.00 0.00 H new ATOM 0 HA CYS A 67 10.475 -3.717 -4.494 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.190 -3.788 -5.839 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.167 -3.161 -7.151 1.00 0.00 H new ATOM 0 HG CYS A 67 8.958 -5.957 -7.471 1.00 0.00 H new ATOM 1027 N LYS A 68 12.289 -3.151 -6.226 1.00 0.00 N ATOM 1028 CA LYS A 68 13.478 -2.656 -6.909 1.00 0.00 C ATOM 1029 C LYS A 68 13.131 -2.139 -8.301 1.00 0.00 C ATOM 1030 O LYS A 68 12.895 -2.920 -9.224 1.00 0.00 O ATOM 1031 CB LYS A 68 14.530 -3.764 -7.012 1.00 0.00 C ATOM 1032 CG LYS A 68 15.444 -3.849 -5.803 1.00 0.00 C ATOM 1033 CD LYS A 68 16.253 -5.136 -5.805 1.00 0.00 C ATOM 1034 CE LYS A 68 15.391 -6.336 -5.446 1.00 0.00 C ATOM 1035 NZ LYS A 68 14.716 -6.912 -6.642 1.00 0.00 N ATOM 0 H LYS A 68 12.317 -4.145 -5.999 1.00 0.00 H new ATOM 0 HA LYS A 68 13.884 -1.830 -6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.026 -4.721 -7.144 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.135 -3.597 -7.903 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.119 -2.994 -5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.849 -3.793 -4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.697 -5.287 -6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.075 -5.051 -5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.010 -7.100 -4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.641 -6.038 -4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.693 -6.736 -6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.094 -6.466 -7.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.889 -7.937 -6.678 1.00 0.00 H new ATOM 1049 N LEU A 69 13.102 -0.819 -8.446 1.00 0.00 N ATOM 1050 CA LEU A 69 12.784 -0.197 -9.727 1.00 0.00 C ATOM 1051 C LEU A 69 13.319 -1.033 -10.885 1.00 0.00 C ATOM 1052 O LEU A 69 14.388 -1.638 -10.805 1.00 0.00 O ATOM 1053 CB LEU A 69 13.369 1.215 -9.789 1.00 0.00 C ATOM 1054 CG LEU A 69 13.007 2.144 -8.630 1.00 0.00 C ATOM 1055 CD1 LEU A 69 13.677 3.498 -8.802 1.00 0.00 C ATOM 1056 CD2 LEU A 69 11.497 2.303 -8.527 1.00 0.00 C ATOM 0 H LEU A 69 13.295 -0.159 -7.693 1.00 0.00 H new ATOM 0 HA LEU A 69 11.699 -0.138 -9.816 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.455 1.135 -9.838 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.042 1.682 -10.718 1.00 0.00 H new ATOM 0 HG LEU A 69 13.370 1.698 -7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.408 4.146 -7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.759 3.368 -8.826 1.00 0.00 H new ATOM 0 HD13 LEU A 69 13.345 3.952 -9.736 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.257 2.967 -7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.112 2.727 -9.454 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.039 1.329 -8.356 1.00 0.00 H new ATOM 1068 N PRO A 70 12.560 -1.067 -11.991 1.00 0.00 N ATOM 1069 CA PRO A 70 12.938 -1.823 -13.188 1.00 0.00 C ATOM 1070 C PRO A 70 14.132 -1.207 -13.909 1.00 0.00 C ATOM 1071 O PRO A 70 15.024 -1.918 -14.373 1.00 0.00 O ATOM 1072 CB PRO A 70 11.686 -1.747 -14.066 1.00 0.00 C ATOM 1073 CG PRO A 70 10.991 -0.504 -13.627 1.00 0.00 C ATOM 1074 CD PRO A 70 11.273 -0.369 -12.157 1.00 0.00 C ATOM 0 HA PRO A 70 13.245 -2.841 -12.947 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.946 -1.703 -15.124 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.053 -2.624 -13.930 1.00 0.00 H new ATOM 0 HG2 PRO A 70 11.358 0.363 -14.176 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.919 -0.569 -13.814 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.341 0.676 -11.855 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.488 -0.825 -11.554 1.00 0.00 H new ATOM 1082 N ARG A 71 14.144 0.119 -13.999 1.00 0.00 N ATOM 1083 CA ARG A 71 15.230 0.830 -14.664 1.00 0.00 C ATOM 1084 C ARG A 71 16.458 0.912 -13.763 1.00 0.00 C ATOM 1085 O ARG A 71 17.572 0.598 -14.184 1.00 0.00 O ATOM 1086 CB ARG A 71 14.779 2.237 -15.059 1.00 0.00 C ATOM 1087 CG ARG A 71 13.509 2.258 -15.894 1.00 0.00 C ATOM 1088 CD ARG A 71 13.811 2.072 -17.373 1.00 0.00 C ATOM 1089 NE ARG A 71 14.651 0.902 -17.617 1.00 0.00 N ATOM 1090 CZ ARG A 71 14.174 -0.332 -17.739 1.00 0.00 C ATOM 1091 NH1 ARG A 71 12.871 -0.556 -17.641 1.00 0.00 N ATOM 1092 NH2 ARG A 71 15.002 -1.344 -17.961 1.00 0.00 N ATOM 0 H ARG A 71 13.414 0.723 -13.620 1.00 0.00 H new ATOM 0 HA ARG A 71 15.497 0.275 -15.563 1.00 0.00 H new ATOM 0 HB2 ARG A 71 14.619 2.825 -14.155 1.00 0.00 H new ATOM 0 HB3 ARG A 71 15.579 2.722 -15.618 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.837 1.468 -15.557 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.989 3.204 -15.744 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.876 1.968 -17.924 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.309 2.962 -17.756 1.00 0.00 H new ATOM 0 HE ARG A 71 15.658 1.040 -17.698 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.231 0.220 -17.471 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.508 -1.505 -17.735 1.00 0.00 H new ATOM 0 HH21 ARG A 71 16.005 -1.175 -18.038 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.636 -2.291 -18.055 1.00 0.00 H new ATOM 1106 N LEU A 72 16.248 1.337 -12.522 1.00 0.00 N ATOM 1107 CA LEU A 72 17.338 1.462 -11.561 1.00 0.00 C ATOM 1108 C LEU A 72 17.333 0.296 -10.577 1.00 0.00 C ATOM 1109 O LEU A 72 16.277 -0.240 -10.240 1.00 0.00 O ATOM 1110 CB LEU A 72 17.227 2.785 -10.802 1.00 0.00 C ATOM 1111 CG LEU A 72 17.154 4.048 -11.661 1.00 0.00 C ATOM 1112 CD1 LEU A 72 15.713 4.352 -12.041 1.00 0.00 C ATOM 1113 CD2 LEU A 72 17.775 5.228 -10.929 1.00 0.00 C ATOM 0 H LEU A 72 15.333 1.601 -12.158 1.00 0.00 H new ATOM 0 HA LEU A 72 18.278 1.445 -12.112 1.00 0.00 H new ATOM 0 HB2 LEU A 72 16.338 2.746 -10.173 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.086 2.872 -10.136 1.00 0.00 H new ATOM 0 HG LEU A 72 17.721 3.875 -12.576 1.00 0.00 H new ATOM 0 HD11 LEU A 72 15.680 5.254 -12.652 1.00 0.00 H new ATOM 0 HD12 LEU A 72 15.302 3.516 -12.606 1.00 0.00 H new ATOM 0 HD13 LEU A 72 15.123 4.504 -11.137 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.714 6.118 -11.556 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.237 5.403 -9.997 1.00 0.00 H new ATOM 0 HD23 LEU A 72 18.820 5.010 -10.709 1.00 0.00 H new ATOM 1125 N SER A 73 18.519 -0.090 -10.118 1.00 0.00 N ATOM 1126 CA SER A 73 18.651 -1.193 -9.174 1.00 0.00 C ATOM 1127 C SER A 73 18.460 -0.707 -7.740 1.00 0.00 C ATOM 1128 O SER A 73 19.135 -1.170 -6.820 1.00 0.00 O ATOM 1129 CB SER A 73 20.021 -1.857 -9.321 1.00 0.00 C ATOM 1130 OG SER A 73 20.135 -2.986 -8.473 1.00 0.00 O ATOM 0 H SER A 73 19.402 0.345 -10.385 1.00 0.00 H new ATOM 0 HA SER A 73 17.875 -1.925 -9.398 1.00 0.00 H new ATOM 0 HB2 SER A 73 20.172 -2.160 -10.357 1.00 0.00 H new ATOM 0 HB3 SER A 73 20.804 -1.138 -9.082 1.00 0.00 H new ATOM 0 HG SER A 73 19.792 -2.762 -7.583 1.00 0.00 H new ATOM 1136 N LEU A 74 17.536 0.230 -7.558 1.00 0.00 N ATOM 1137 CA LEU A 74 17.255 0.781 -6.237 1.00 0.00 C ATOM 1138 C LEU A 74 15.821 0.479 -5.815 1.00 0.00 C ATOM 1139 O LEU A 74 15.003 0.046 -6.626 1.00 0.00 O ATOM 1140 CB LEU A 74 17.493 2.292 -6.231 1.00 0.00 C ATOM 1141 CG LEU A 74 18.886 2.754 -6.658 1.00 0.00 C ATOM 1142 CD1 LEU A 74 18.842 4.188 -7.163 1.00 0.00 C ATOM 1143 CD2 LEU A 74 19.868 2.623 -5.503 1.00 0.00 C ATOM 0 H LEU A 74 16.969 0.624 -8.309 1.00 0.00 H new ATOM 0 HA LEU A 74 17.931 0.310 -5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 74 16.760 2.758 -6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.301 2.666 -5.225 1.00 0.00 H new ATOM 0 HG LEU A 74 19.226 2.115 -7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 74 19.843 4.499 -7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 74 18.171 4.252 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.481 4.842 -6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.855 2.956 -5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 74 19.532 3.238 -4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 74 19.922 1.581 -5.188 1.00 0.00 H new ATOM 1155 N ASN A 75 15.523 0.711 -4.541 1.00 0.00 N ATOM 1156 CA ASN A 75 14.186 0.465 -4.011 1.00 0.00 C ATOM 1157 C ASN A 75 13.432 1.776 -3.808 1.00 0.00 C ATOM 1158 O ASN A 75 13.537 2.407 -2.757 1.00 0.00 O ATOM 1159 CB ASN A 75 14.272 -0.298 -2.688 1.00 0.00 C ATOM 1160 CG ASN A 75 15.391 -1.321 -2.682 1.00 0.00 C ATOM 1161 OD1 ASN A 75 16.569 -0.970 -2.610 1.00 0.00 O ATOM 1162 ND2 ASN A 75 15.027 -2.596 -2.759 1.00 0.00 N ATOM 0 H ASN A 75 16.189 1.069 -3.856 1.00 0.00 H new ATOM 0 HA ASN A 75 13.640 -0.139 -4.736 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.426 0.409 -1.873 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.323 -0.800 -2.499 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.736 -3.330 -2.760 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.039 -2.842 -2.817 1.00 0.00 H new ATOM 1169 N GLY A 76 12.671 2.178 -4.821 1.00 0.00 N ATOM 1170 CA GLY A 76 11.910 3.411 -4.733 1.00 0.00 C ATOM 1171 C GLY A 76 10.485 3.181 -4.271 1.00 0.00 C ATOM 1172 O GLY A 76 10.163 2.122 -3.731 1.00 0.00 O ATOM 0 H GLY A 76 12.568 1.672 -5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.407 4.093 -4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.898 3.898 -5.708 1.00 0.00 H new ATOM 1176 N VAL A 77 9.628 4.175 -4.482 1.00 0.00 N ATOM 1177 CA VAL A 77 8.229 4.076 -4.083 1.00 0.00 C ATOM 1178 C VAL A 77 7.301 4.315 -5.269 1.00 0.00 C ATOM 1179 O VAL A 77 7.508 5.239 -6.055 1.00 0.00 O ATOM 1180 CB VAL A 77 7.891 5.084 -2.969 1.00 0.00 C ATOM 1181 CG1 VAL A 77 6.433 4.953 -2.554 1.00 0.00 C ATOM 1182 CG2 VAL A 77 8.813 4.887 -1.775 1.00 0.00 C ATOM 0 H VAL A 77 9.878 5.058 -4.927 1.00 0.00 H new ATOM 0 HA VAL A 77 8.078 3.065 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 77 8.045 6.091 -3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.213 5.673 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.791 5.148 -3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.249 3.944 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.560 5.608 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.693 3.876 -1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.847 5.036 -2.085 1.00 0.00 H new ATOM 1192 N ARG A 78 6.278 3.476 -5.390 1.00 0.00 N ATOM 1193 CA ARG A 78 5.317 3.595 -6.481 1.00 0.00 C ATOM 1194 C ARG A 78 4.011 4.212 -5.990 1.00 0.00 C ATOM 1195 O ARG A 78 3.596 3.989 -4.852 1.00 0.00 O ATOM 1196 CB ARG A 78 5.045 2.224 -7.102 1.00 0.00 C ATOM 1197 CG ARG A 78 4.644 2.287 -8.566 1.00 0.00 C ATOM 1198 CD ARG A 78 4.560 0.899 -9.181 1.00 0.00 C ATOM 1199 NE ARG A 78 3.368 0.177 -8.742 1.00 0.00 N ATOM 1200 CZ ARG A 78 2.986 -0.988 -9.252 1.00 0.00 C ATOM 1201 NH1 ARG A 78 3.697 -1.561 -10.213 1.00 0.00 N ATOM 1202 NH2 ARG A 78 1.889 -1.584 -8.799 1.00 0.00 N ATOM 0 H ARG A 78 6.093 2.707 -4.747 1.00 0.00 H new ATOM 0 HA ARG A 78 5.746 4.250 -7.239 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.938 1.607 -7.005 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.254 1.730 -6.538 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.680 2.786 -8.659 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.368 2.887 -9.117 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.553 0.984 -10.268 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.449 0.329 -8.912 1.00 0.00 H new ATOM 0 HE ARG A 78 2.798 0.590 -8.004 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.541 -1.107 -10.563 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.400 -2.456 -10.602 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.340 -1.147 -8.059 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.596 -2.479 -9.191 1.00 0.00 H new ATOM 1216 N PHE A 79 3.367 4.988 -6.855 1.00 0.00 N ATOM 1217 CA PHE A 79 2.109 5.639 -6.509 1.00 0.00 C ATOM 1218 C PHE A 79 1.055 5.392 -7.585 1.00 0.00 C ATOM 1219 O PHE A 79 1.062 6.033 -8.635 1.00 0.00 O ATOM 1220 CB PHE A 79 2.321 7.142 -6.322 1.00 0.00 C ATOM 1221 CG PHE A 79 3.251 7.481 -5.192 1.00 0.00 C ATOM 1222 CD1 PHE A 79 4.561 7.031 -5.197 1.00 0.00 C ATOM 1223 CD2 PHE A 79 2.814 8.250 -4.125 1.00 0.00 C ATOM 1224 CE1 PHE A 79 5.418 7.340 -4.158 1.00 0.00 C ATOM 1225 CE2 PHE A 79 3.667 8.563 -3.084 1.00 0.00 C ATOM 1226 CZ PHE A 79 4.971 8.108 -3.101 1.00 0.00 C ATOM 0 H PHE A 79 3.696 5.181 -7.801 1.00 0.00 H new ATOM 0 HA PHE A 79 1.754 5.211 -5.572 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.717 7.563 -7.246 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.357 7.617 -6.143 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.917 6.432 -6.022 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.795 8.609 -4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.437 6.981 -4.173 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.314 9.163 -2.258 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.640 8.352 -2.289 1.00 0.00 H new ATOM 1236 N LYS A 80 0.150 4.457 -7.315 1.00 0.00 N ATOM 1237 CA LYS A 80 -0.911 4.124 -8.258 1.00 0.00 C ATOM 1238 C LYS A 80 -2.233 4.755 -7.834 1.00 0.00 C ATOM 1239 O LYS A 80 -2.663 4.609 -6.690 1.00 0.00 O ATOM 1240 CB LYS A 80 -1.069 2.605 -8.363 1.00 0.00 C ATOM 1241 CG LYS A 80 -1.867 2.160 -9.576 1.00 0.00 C ATOM 1242 CD LYS A 80 -2.368 0.733 -9.421 1.00 0.00 C ATOM 1243 CE LYS A 80 -3.631 0.495 -10.234 1.00 0.00 C ATOM 1244 NZ LYS A 80 -4.335 -0.749 -9.814 1.00 0.00 N ATOM 0 H LYS A 80 0.130 3.916 -6.450 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.635 4.523 -9.234 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.081 2.147 -8.401 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.558 2.236 -7.461 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.714 2.830 -9.721 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.246 2.234 -10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.592 0.037 -9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.567 0.528 -8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.301 1.347 -10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.375 0.428 -11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.190 -0.876 -10.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.705 -1.566 -9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.602 -0.675 -8.812 1.00 0.00 H new ATOM 1258 N ARG A 81 -2.874 5.456 -8.764 1.00 0.00 N ATOM 1259 CA ARG A 81 -4.147 6.109 -8.486 1.00 0.00 C ATOM 1260 C ARG A 81 -5.314 5.169 -8.773 1.00 0.00 C ATOM 1261 O ARG A 81 -5.245 4.336 -9.677 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.285 7.382 -9.324 1.00 0.00 C ATOM 1263 CG ARG A 81 -5.581 8.137 -9.075 1.00 0.00 C ATOM 1264 CD ARG A 81 -5.933 9.039 -10.247 1.00 0.00 C ATOM 1265 NE ARG A 81 -7.374 9.250 -10.362 1.00 0.00 N ATOM 1266 CZ ARG A 81 -7.932 10.033 -11.279 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -7.174 10.675 -12.157 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -9.250 10.174 -11.319 1.00 0.00 N ATOM 0 H ARG A 81 -2.532 5.586 -9.716 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.168 6.374 -7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.444 8.041 -9.110 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.224 7.120 -10.380 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.390 7.427 -8.905 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.487 8.736 -8.169 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.434 10.001 -10.127 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.556 8.598 -11.170 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.986 8.770 -9.702 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.160 10.568 -12.130 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.605 11.275 -12.860 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.836 9.681 -10.645 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.677 10.775 -12.023 1.00 0.00 H new ATOM 1282 N ILE A 82 -6.384 5.309 -7.997 1.00 0.00 N ATOM 1283 CA ILE A 82 -7.566 4.473 -8.169 1.00 0.00 C ATOM 1284 C ILE A 82 -8.820 5.323 -8.340 1.00 0.00 C ATOM 1285 O ILE A 82 -9.515 5.225 -9.352 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.762 3.524 -6.972 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -6.495 2.699 -6.734 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -8.957 2.612 -7.210 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -6.191 1.722 -7.848 1.00 0.00 C ATOM 0 H ILE A 82 -6.457 5.993 -7.244 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.406 3.881 -9.070 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.956 4.122 -6.081 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.648 3.375 -6.614 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.600 2.150 -5.798 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -9.083 1.947 -6.356 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.856 3.215 -7.336 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.789 2.019 -8.109 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.280 1.172 -7.611 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.020 1.022 -7.954 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.054 2.267 -8.782 1.00 0.00 H new ATOM 1301 N SER A 83 -9.104 6.157 -7.346 1.00 0.00 N ATOM 1302 CA SER A 83 -10.276 7.024 -7.385 1.00 0.00 C ATOM 1303 C SER A 83 -9.887 8.476 -7.125 1.00 0.00 C ATOM 1304 O SER A 83 -8.721 8.784 -6.883 1.00 0.00 O ATOM 1305 CB SER A 83 -11.309 6.568 -6.353 1.00 0.00 C ATOM 1306 OG SER A 83 -11.666 5.211 -6.555 1.00 0.00 O ATOM 0 H SER A 83 -8.538 6.251 -6.503 1.00 0.00 H new ATOM 0 HA SER A 83 -10.714 6.956 -8.381 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.905 6.696 -5.349 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.198 7.195 -6.421 1.00 0.00 H new ATOM 0 HG SER A 83 -12.326 4.943 -5.882 1.00 0.00 H new ATOM 1312 N GLY A 84 -10.874 9.365 -7.177 1.00 0.00 N ATOM 1313 CA GLY A 84 -10.617 10.774 -6.945 1.00 0.00 C ATOM 1314 C GLY A 84 -9.961 11.447 -8.134 1.00 0.00 C ATOM 1315 O GLY A 84 -9.211 10.816 -8.880 1.00 0.00 O ATOM 0 H GLY A 84 -11.847 9.134 -7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.556 11.279 -6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.976 10.884 -6.070 1.00 0.00 H new ATOM 1319 N THR A 85 -10.244 12.734 -8.315 1.00 0.00 N ATOM 1320 CA THR A 85 -9.679 13.492 -9.423 1.00 0.00 C ATOM 1321 C THR A 85 -8.163 13.599 -9.300 1.00 0.00 C ATOM 1322 O THR A 85 -7.598 13.344 -8.237 1.00 0.00 O ATOM 1323 CB THR A 85 -10.278 14.909 -9.498 1.00 0.00 C ATOM 1324 OG1 THR A 85 -9.818 15.574 -10.679 1.00 0.00 O ATOM 1325 CG2 THR A 85 -9.897 15.723 -8.270 1.00 0.00 C ATOM 0 H THR A 85 -10.862 13.272 -7.707 1.00 0.00 H new ATOM 0 HA THR A 85 -9.929 12.951 -10.336 1.00 0.00 H new ATOM 0 HB THR A 85 -11.364 14.819 -9.533 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.205 16.473 -10.720 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.331 16.720 -8.345 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.275 15.229 -7.375 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.812 15.804 -8.209 1.00 0.00 H new ATOM 1333 N SER A 86 -7.511 13.979 -10.394 1.00 0.00 N ATOM 1334 CA SER A 86 -6.059 14.117 -10.409 1.00 0.00 C ATOM 1335 C SER A 86 -5.596 15.103 -9.340 1.00 0.00 C ATOM 1336 O SER A 86 -4.862 14.739 -8.421 1.00 0.00 O ATOM 1337 CB SER A 86 -5.584 14.581 -11.787 1.00 0.00 C ATOM 1338 OG SER A 86 -5.947 13.651 -12.792 1.00 0.00 O ATOM 0 H SER A 86 -7.965 14.197 -11.281 1.00 0.00 H new ATOM 0 HA SER A 86 -5.624 13.142 -10.192 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.017 15.555 -12.015 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.501 14.707 -11.778 1.00 0.00 H new ATOM 0 HG SER A 86 -5.633 13.972 -13.663 1.00 0.00 H new ATOM 1344 N ILE A 87 -6.030 16.352 -9.469 1.00 0.00 N ATOM 1345 CA ILE A 87 -5.662 17.390 -8.514 1.00 0.00 C ATOM 1346 C ILE A 87 -5.731 16.870 -7.082 1.00 0.00 C ATOM 1347 O ILE A 87 -4.794 17.042 -6.303 1.00 0.00 O ATOM 1348 CB ILE A 87 -6.574 18.624 -8.645 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -6.362 19.301 -10.000 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -6.307 19.602 -7.511 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -7.319 20.443 -10.262 1.00 0.00 C ATOM 0 H ILE A 87 -6.637 16.670 -10.225 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.637 17.680 -8.743 1.00 0.00 H new ATOM 0 HB ILE A 87 -7.612 18.298 -8.582 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.340 19.675 -10.054 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.472 18.558 -10.790 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -6.959 20.469 -7.617 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.504 19.115 -6.556 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -5.266 19.924 -7.546 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.110 20.875 -11.240 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.343 20.071 -10.241 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.194 21.206 -9.494 1.00 0.00 H new ATOM 1363 N ALA A 88 -6.846 16.231 -6.744 1.00 0.00 N ATOM 1364 CA ALA A 88 -7.036 15.682 -5.407 1.00 0.00 C ATOM 1365 C ALA A 88 -6.008 14.596 -5.109 1.00 0.00 C ATOM 1366 O ALA A 88 -5.588 14.422 -3.964 1.00 0.00 O ATOM 1367 CB ALA A 88 -8.447 15.132 -5.258 1.00 0.00 C ATOM 0 H ALA A 88 -7.631 16.081 -7.377 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.894 16.487 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.575 14.725 -4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.169 15.933 -5.420 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.610 14.343 -5.993 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.608 13.866 -6.144 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.630 12.795 -5.993 1.00 0.00 C ATOM 1375 C PHE A 89 -3.238 13.362 -5.731 1.00 0.00 C ATOM 1376 O PHE A 89 -2.514 12.884 -4.858 1.00 0.00 O ATOM 1377 CB PHE A 89 -4.608 11.915 -7.244 1.00 0.00 C ATOM 1378 CG PHE A 89 -3.459 10.948 -7.276 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -3.168 10.161 -6.174 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -2.671 10.826 -8.409 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -2.112 9.270 -6.200 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -1.614 9.936 -8.442 1.00 0.00 C ATOM 1383 CZ PHE A 89 -1.333 9.158 -7.336 1.00 0.00 C ATOM 0 H PHE A 89 -5.946 13.996 -7.097 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.923 12.188 -5.136 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.543 11.358 -7.303 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.560 12.553 -8.127 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.774 10.245 -5.284 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.885 11.433 -9.276 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.896 8.662 -5.334 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.008 9.849 -9.332 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.506 8.464 -7.359 1.00 0.00 H new ATOM 1393 N LYS A 90 -2.870 14.385 -6.495 1.00 0.00 N ATOM 1394 CA LYS A 90 -1.565 15.020 -6.348 1.00 0.00 C ATOM 1395 C LYS A 90 -1.520 15.886 -5.093 1.00 0.00 C ATOM 1396 O LYS A 90 -0.446 16.229 -4.603 1.00 0.00 O ATOM 1397 CB LYS A 90 -1.247 15.870 -7.579 1.00 0.00 C ATOM 1398 CG LYS A 90 -0.517 15.109 -8.672 1.00 0.00 C ATOM 1399 CD LYS A 90 -1.489 14.448 -9.635 1.00 0.00 C ATOM 1400 CE LYS A 90 -1.845 15.372 -10.790 1.00 0.00 C ATOM 1401 NZ LYS A 90 -0.645 15.759 -11.581 1.00 0.00 N ATOM 0 H LYS A 90 -3.457 14.792 -7.223 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.815 14.235 -6.253 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.177 16.269 -7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.640 16.723 -7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.133 15.791 -9.220 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.124 14.351 -8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.049 13.530 -10.024 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.396 14.165 -9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.565 14.878 -11.442 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.329 16.268 -10.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.920 15.927 -12.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.233 16.627 -11.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.058 14.993 -11.543 1.00 0.00 H new ATOM 1415 N ASN A 91 -2.695 16.234 -4.577 1.00 0.00 N ATOM 1416 CA ASN A 91 -2.789 17.060 -3.379 1.00 0.00 C ATOM 1417 C ASN A 91 -2.331 16.285 -2.147 1.00 0.00 C ATOM 1418 O ASN A 91 -1.733 16.851 -1.232 1.00 0.00 O ATOM 1419 CB ASN A 91 -4.225 17.549 -3.183 1.00 0.00 C ATOM 1420 CG ASN A 91 -4.519 18.811 -3.970 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -3.613 19.438 -4.521 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -5.790 19.190 -4.028 1.00 0.00 N ATOM 0 H ASN A 91 -3.595 15.957 -4.970 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.134 17.921 -3.509 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.918 16.765 -3.488 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.401 17.736 -2.124 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -6.048 20.031 -4.544 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.508 18.640 -3.556 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.615 14.987 -2.132 1.00 0.00 N ATOM 1430 CA ILE A 92 -2.231 14.134 -1.014 1.00 0.00 C ATOM 1431 C ILE A 92 -0.813 13.601 -1.191 1.00 0.00 C ATOM 1432 O ILE A 92 -0.122 13.311 -0.215 1.00 0.00 O ATOM 1433 CB ILE A 92 -3.198 12.946 -0.855 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -2.683 11.981 0.216 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -3.375 12.225 -2.183 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -2.457 12.636 1.561 1.00 0.00 C ATOM 0 H ILE A 92 -3.110 14.503 -2.881 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.275 14.751 -0.116 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.169 13.327 -0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.397 11.166 0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.747 11.538 -0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.061 11.388 -2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.781 12.917 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.410 11.853 -2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.092 11.893 2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.720 13.432 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.396 13.055 1.924 1.00 0.00 H new ATOM 1448 N ALA A 93 -0.386 13.476 -2.443 1.00 0.00 N ATOM 1449 CA ALA A 93 0.951 12.983 -2.748 1.00 0.00 C ATOM 1450 C ALA A 93 2.021 13.861 -2.108 1.00 0.00 C ATOM 1451 O ALA A 93 3.073 13.373 -1.694 1.00 0.00 O ATOM 1452 CB ALA A 93 1.157 12.911 -4.254 1.00 0.00 C ATOM 0 H ALA A 93 -0.947 13.709 -3.262 1.00 0.00 H new ATOM 0 HA ALA A 93 1.044 11.980 -2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.160 12.541 -4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.421 12.235 -4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.038 13.905 -4.685 1.00 0.00 H new ATOM 1458 N SER A 94 1.745 15.159 -2.029 1.00 0.00 N ATOM 1459 CA SER A 94 2.685 16.106 -1.442 1.00 0.00 C ATOM 1460 C SER A 94 2.890 15.820 0.042 1.00 0.00 C ATOM 1461 O SER A 94 4.008 15.898 0.553 1.00 0.00 O ATOM 1462 CB SER A 94 2.184 17.539 -1.632 1.00 0.00 C ATOM 1463 OG SER A 94 3.106 18.476 -1.103 1.00 0.00 O ATOM 0 H SER A 94 0.878 15.579 -2.364 1.00 0.00 H new ATOM 0 HA SER A 94 3.642 15.992 -1.951 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.029 17.736 -2.693 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.218 17.658 -1.141 1.00 0.00 H new ATOM 0 HG SER A 94 2.763 19.384 -1.238 1.00 0.00 H new ATOM 1469 N LYS A 95 1.803 15.487 0.729 1.00 0.00 N ATOM 1470 CA LYS A 95 1.861 15.187 2.155 1.00 0.00 C ATOM 1471 C LYS A 95 2.817 14.031 2.430 1.00 0.00 C ATOM 1472 O LYS A 95 3.579 14.059 3.396 1.00 0.00 O ATOM 1473 CB LYS A 95 0.465 14.845 2.682 1.00 0.00 C ATOM 1474 CG LYS A 95 -0.309 16.052 3.181 1.00 0.00 C ATOM 1475 CD LYS A 95 -0.515 17.077 2.079 1.00 0.00 C ATOM 1476 CE LYS A 95 -0.860 18.445 2.647 1.00 0.00 C ATOM 1477 NZ LYS A 95 0.295 19.056 3.362 1.00 0.00 N ATOM 0 H LYS A 95 0.871 15.418 0.321 1.00 0.00 H new ATOM 0 HA LYS A 95 2.232 16.072 2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.105 14.361 1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.559 14.123 3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.277 15.731 3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.228 16.512 4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.390 17.150 1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.314 16.745 1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.177 19.104 1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.703 18.352 3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.153 20.084 3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.369 18.647 4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.171 18.865 2.834 1.00 0.00 H new ATOM 1491 N ILE A 96 2.773 13.016 1.573 1.00 0.00 N ATOM 1492 CA ILE A 96 3.637 11.852 1.723 1.00 0.00 C ATOM 1493 C ILE A 96 5.043 12.141 1.207 1.00 0.00 C ATOM 1494 O ILE A 96 6.007 12.143 1.972 1.00 0.00 O ATOM 1495 CB ILE A 96 3.070 10.630 0.976 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.570 10.491 1.245 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.807 9.366 1.393 1.00 0.00 C ATOM 1498 CD1 ILE A 96 1.243 10.149 2.681 1.00 0.00 C ATOM 0 H ILE A 96 2.148 12.977 0.768 1.00 0.00 H new ATOM 0 HA ILE A 96 3.682 11.628 2.789 1.00 0.00 H new ATOM 0 HB ILE A 96 3.216 10.777 -0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.074 11.425 0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 96 1.162 9.718 0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.395 8.511 0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.866 9.467 1.156 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.689 9.213 2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.162 10.066 2.798 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.710 9.200 2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.620 10.934 3.337 1.00 0.00 H new ATOM 1510 N ALA A 97 5.151 12.387 -0.094 1.00 0.00 N ATOM 1511 CA ALA A 97 6.438 12.682 -0.712 1.00 0.00 C ATOM 1512 C ALA A 97 7.309 13.526 0.212 1.00 0.00 C ATOM 1513 O ALA A 97 8.511 13.293 0.331 1.00 0.00 O ATOM 1514 CB ALA A 97 6.235 13.391 -2.043 1.00 0.00 C ATOM 0 H ALA A 97 4.362 12.388 -0.741 1.00 0.00 H new ATOM 0 HA ALA A 97 6.952 11.738 -0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.205 13.605 -2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.658 12.752 -2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.697 14.325 -1.880 1.00 0.00 H new ATOM 1520 N ASN A 98 6.695 14.509 0.863 1.00 0.00 N ATOM 1521 CA ASN A 98 7.416 15.389 1.775 1.00 0.00 C ATOM 1522 C ASN A 98 7.780 14.657 3.064 1.00 0.00 C ATOM 1523 O ASN A 98 8.942 14.325 3.293 1.00 0.00 O ATOM 1524 CB ASN A 98 6.572 16.624 2.099 1.00 0.00 C ATOM 1525 CG ASN A 98 6.612 17.657 0.989 1.00 0.00 C ATOM 1526 OD1 ASN A 98 7.508 18.629 1.117 1.00 0.00 O flip ATOM 1527 ND2 ASN A 98 5.845 17.582 0.028 1.00 0.00 N flip ATOM 0 H ASN A 98 5.700 14.716 0.776 1.00 0.00 H new ATOM 0 HA ASN A 98 8.337 15.704 1.284 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.540 16.320 2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.931 17.074 3.024 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.172 16.817 -0.029 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.883 18.284 -0.711 1.00 0.00 H new ATOM 1534 N GLU A 99 6.777 14.408 3.900 1.00 0.00 N ATOM 1535 CA GLU A 99 6.992 13.715 5.165 1.00 0.00 C ATOM 1536 C GLU A 99 8.025 12.603 5.007 1.00 0.00 C ATOM 1537 O GLU A 99 8.819 12.344 5.913 1.00 0.00 O ATOM 1538 CB GLU A 99 5.676 13.133 5.684 1.00 0.00 C ATOM 1539 CG GLU A 99 4.900 14.085 6.578 1.00 0.00 C ATOM 1540 CD GLU A 99 5.766 14.715 7.651 1.00 0.00 C ATOM 1541 OE1 GLU A 99 6.579 13.987 8.259 1.00 0.00 O ATOM 1542 OE2 GLU A 99 5.632 15.934 7.884 1.00 0.00 O ATOM 0 H GLU A 99 5.808 14.675 3.724 1.00 0.00 H new ATOM 0 HA GLU A 99 7.370 14.439 5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.052 12.855 4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.887 12.218 6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.456 14.871 5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 99 4.078 13.546 7.050 1.00 0.00 H new ATOM 1549 N LEU A 100 8.009 11.948 3.852 1.00 0.00 N ATOM 1550 CA LEU A 100 8.943 10.863 3.574 1.00 0.00 C ATOM 1551 C LEU A 100 10.362 11.248 3.981 1.00 0.00 C ATOM 1552 O LEU A 100 10.987 12.106 3.357 1.00 0.00 O ATOM 1553 CB LEU A 100 8.908 10.500 2.088 1.00 0.00 C ATOM 1554 CG LEU A 100 7.772 9.574 1.650 1.00 0.00 C ATOM 1555 CD1 LEU A 100 8.000 9.086 0.228 1.00 0.00 C ATOM 1556 CD2 LEU A 100 7.646 8.397 2.606 1.00 0.00 C ATOM 0 H LEU A 100 7.359 12.149 3.092 1.00 0.00 H new ATOM 0 HA LEU A 100 8.638 9.996 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.841 11.422 1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.855 10.028 1.827 1.00 0.00 H new ATOM 0 HG LEU A 100 6.839 10.137 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.182 8.429 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.040 9.940 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.941 8.539 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.833 7.748 2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.579 7.833 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.436 8.765 3.610 1.00 0.00 H new ATOM 1568 N LYS A 101 10.866 10.607 5.030 1.00 0.00 N ATOM 1569 CA LYS A 101 12.212 10.879 5.520 1.00 0.00 C ATOM 1570 C LYS A 101 13.204 9.852 4.983 1.00 0.00 C ATOM 1571 O LYS A 101 14.235 9.587 5.603 1.00 0.00 O ATOM 1572 CB LYS A 101 12.232 10.872 7.050 1.00 0.00 C ATOM 1573 CG LYS A 101 11.959 12.233 7.668 1.00 0.00 C ATOM 1574 CD LYS A 101 12.988 13.261 7.229 1.00 0.00 C ATOM 1575 CE LYS A 101 13.186 14.337 8.285 1.00 0.00 C ATOM 1576 NZ LYS A 101 13.996 13.845 9.434 1.00 0.00 N ATOM 0 H LYS A 101 10.362 9.895 5.558 1.00 0.00 H new ATOM 0 HA LYS A 101 12.509 11.866 5.164 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.488 10.162 7.412 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.204 10.516 7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.962 12.570 7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.968 12.149 8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.938 12.765 7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.668 13.721 6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.679 15.200 7.836 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.214 14.676 8.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.237 14.643 10.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.448 13.142 9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.870 13.406 9.080 1.00 0.00 H new ATOM 1590 N LEU A 102 12.887 9.278 3.828 1.00 0.00 N ATOM 1591 CA LEU A 102 13.751 8.280 3.207 1.00 0.00 C ATOM 1592 C LEU A 102 15.082 8.898 2.788 1.00 0.00 C ATOM 1593 O LEU A 102 15.204 10.117 2.678 1.00 0.00 O ATOM 1594 CB LEU A 102 13.058 7.661 1.993 1.00 0.00 C ATOM 1595 CG LEU A 102 11.625 7.175 2.213 1.00 0.00 C ATOM 1596 CD1 LEU A 102 10.909 7.003 0.882 1.00 0.00 C ATOM 1597 CD2 LEU A 102 11.619 5.870 2.997 1.00 0.00 C ATOM 0 H LEU A 102 12.038 9.486 3.302 1.00 0.00 H new ATOM 0 HA LEU A 102 13.949 7.499 3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.051 8.397 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.657 6.818 1.648 1.00 0.00 H new ATOM 0 HG LEU A 102 11.092 7.927 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.891 6.657 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.882 7.958 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.441 6.271 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.591 5.539 3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.169 5.110 2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.092 6.026 3.966 1.00 0.00 H new