USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 751 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 99 THR OG1 : rot -100:sc= 1.21 USER MOD Set 1.2: A 103 GLN : amide:sc= 0.956 K(o=2.2,f=-2) USER MOD Set 2.1: A 47 ASN : amide:sc= 0.618 K(o=-3.8,f=-4.3) USER MOD Set 2.2: A 55 HIS :FLIP no HD1:sc= -1.22 F(o=-4.5!,f=-3.8) USER MOD Set 2.3: A 57 HIS : no HD1:sc= -3.17 K(o=-3.8,f=-5.2) USER MOD Set 3.1: A 41 HIS : no HD1:sc= -2.21! K(o=-5.5!,f=-6.7) USER MOD Set 3.2: A 42 ASN : amide:sc= -3.33! C(o=-5.5!,f=-12!) USER MOD Set 4.1: A 16 MET CE :methyl -114:sc= -1.94 (180deg=-7.1!) USER MOD Set 4.2: A 20 SER OG : rot -38:sc= 1.25 USER MOD Set 4.3: A 62 GLN : amide:sc= -0.18 K(o=-0.88,f=-1.4) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.18 K(o=1.2,f=-0.15) USER MOD Single : A 37 THR OG1 : rot 44:sc= 0.269 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 102:sc= 0.642 USER MOD Single : A 49 TYR OH : rot 61:sc= 0.833 USER MOD Single : A 51 SER OG : rot -47:sc= 0.217 USER MOD Single : A 52 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.053) USER MOD Single : A 58 MET CE :methyl 158:sc= -2 (180deg=-4.66!) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.0932 F(o=-2.4!,f=-0.093) USER MOD Single : A 61 THR OG1 : rot -116:sc= 1.73 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -71:sc= 2.09 USER MOD Single : A 70 THR OG1 : rot -70:sc= 0.397 USER MOD Single : A 71 LYS NZ :NH3+ -135:sc= -2.93! (180deg=-5.55!) USER MOD Single : A 79 CYS SG : rot -150:sc= -2.52 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -128:sc= 1.06 USER MOD Single : A 86 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0214) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.74 X(o=-0.74,f=-0.44) USER MOD Single : A 92 TYR OH : rot 167:sc= -0.382 USER MOD ----------------------------------------------------------------- ATOM 241 N MET A 16 -4.571 6.617 7.774 1.00 0.00 N ATOM 242 CA MET A 16 -5.201 5.308 7.493 1.00 0.00 C ATOM 243 C MET A 16 -6.256 5.288 6.427 1.00 0.00 C ATOM 244 O MET A 16 -6.323 4.340 5.657 1.00 0.00 O ATOM 245 CB MET A 16 -5.908 4.828 8.810 1.00 0.00 C ATOM 246 CG MET A 16 -6.945 3.660 8.858 1.00 0.00 C ATOM 247 SD MET A 16 -6.301 1.976 8.585 1.00 0.00 S ATOM 248 CE MET A 16 -7.895 1.076 8.724 1.00 0.00 C ATOM 0 HA MET A 16 -4.387 4.676 7.137 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.112 4.560 9.505 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.411 5.702 9.224 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.437 3.682 9.831 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.712 3.856 8.109 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.877 0.438 9.608 1.00 0.00 H new ATOM 0 HE2 MET A 16 -8.711 1.793 8.811 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.045 0.462 7.836 1.00 0.00 H new ATOM 258 N ASP A 17 -7.117 6.339 6.327 1.00 0.00 N ATOM 259 CA ASP A 17 -8.216 6.491 5.361 1.00 0.00 C ATOM 260 C ASP A 17 -7.795 6.458 3.894 1.00 0.00 C ATOM 261 O ASP A 17 -8.482 5.884 3.058 1.00 0.00 O ATOM 262 CB ASP A 17 -9.047 7.781 5.613 1.00 0.00 C ATOM 263 CG ASP A 17 -9.583 7.788 7.048 1.00 0.00 C ATOM 264 OD1 ASP A 17 -10.335 6.843 7.406 1.00 0.00 O ATOM 265 OD2 ASP A 17 -9.251 8.743 7.800 1.00 0.00 O ATOM 0 H ASP A 17 -7.050 7.139 6.956 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.829 5.607 5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.427 8.661 5.443 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.875 7.833 4.907 1.00 0.00 H new ATOM 270 N TYR A 18 -6.604 7.027 3.565 1.00 0.00 N ATOM 271 CA TYR A 18 -5.971 7.023 2.246 1.00 0.00 C ATOM 272 C TYR A 18 -5.451 5.642 1.816 1.00 0.00 C ATOM 273 O TYR A 18 -5.780 5.134 0.746 1.00 0.00 O ATOM 274 CB TYR A 18 -4.853 8.126 2.282 1.00 0.00 C ATOM 275 CG TYR A 18 -4.019 8.306 1.031 1.00 0.00 C ATOM 276 CD1 TYR A 18 -2.645 8.161 1.104 1.00 0.00 C ATOM 277 CD2 TYR A 18 -4.589 8.629 -0.187 1.00 0.00 C ATOM 278 CE1 TYR A 18 -1.859 8.306 -0.021 1.00 0.00 C ATOM 279 CE2 TYR A 18 -3.802 8.800 -1.315 1.00 0.00 C ATOM 280 CZ TYR A 18 -2.433 8.635 -1.231 1.00 0.00 C ATOM 281 OH TYR A 18 -1.610 8.808 -2.368 1.00 0.00 O ATOM 0 H TYR A 18 -6.042 7.522 4.258 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.708 7.254 1.477 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.327 9.080 2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.179 7.897 3.108 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.182 7.932 2.052 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.660 8.749 -0.260 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.791 8.161 0.046 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.258 9.062 -2.258 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.166 9.036 -3.142 1.00 0.00 H new ATOM 291 N PHE A 19 -4.643 5.003 2.697 1.00 0.00 N ATOM 292 CA PHE A 19 -4.013 3.694 2.552 1.00 0.00 C ATOM 293 C PHE A 19 -4.976 2.518 2.702 1.00 0.00 C ATOM 294 O PHE A 19 -4.939 1.553 1.933 1.00 0.00 O ATOM 295 CB PHE A 19 -2.813 3.562 3.529 1.00 0.00 C ATOM 296 CG PHE A 19 -1.819 4.684 3.358 1.00 0.00 C ATOM 297 CD1 PHE A 19 -1.016 4.772 2.236 1.00 0.00 C ATOM 298 CD2 PHE A 19 -1.627 5.592 4.386 1.00 0.00 C ATOM 299 CE1 PHE A 19 -0.015 5.723 2.168 1.00 0.00 C ATOM 300 CE2 PHE A 19 -0.635 6.548 4.323 1.00 0.00 C ATOM 301 CZ PHE A 19 0.182 6.608 3.211 1.00 0.00 C ATOM 0 H PHE A 19 -4.405 5.433 3.591 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.653 3.642 1.524 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.180 3.556 4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.314 2.607 3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.171 4.095 1.409 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.267 5.551 5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.617 5.775 1.294 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.498 7.244 5.137 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.971 7.343 3.157 1.00 0.00 H new ATOM 311 N SER A 20 -5.930 2.603 3.682 1.00 0.00 N ATOM 312 CA SER A 20 -6.962 1.580 3.929 1.00 0.00 C ATOM 313 C SER A 20 -8.042 1.536 2.892 1.00 0.00 C ATOM 314 O SER A 20 -8.541 0.455 2.620 1.00 0.00 O ATOM 315 CB SER A 20 -7.581 1.455 5.347 1.00 0.00 C ATOM 316 OG SER A 20 -8.230 2.640 5.796 1.00 0.00 O ATOM 0 H SER A 20 -5.992 3.396 4.320 1.00 0.00 H new ATOM 0 HA SER A 20 -6.328 0.697 3.848 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.299 0.635 5.349 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.795 1.192 6.055 1.00 0.00 H new ATOM 0 HG SER A 20 -7.722 3.424 5.500 1.00 0.00 H new ATOM 322 N GLU A 21 -8.416 2.669 2.227 1.00 0.00 N ATOM 323 CA GLU A 21 -9.320 2.619 1.075 1.00 0.00 C ATOM 324 C GLU A 21 -8.689 1.998 -0.180 1.00 0.00 C ATOM 325 O GLU A 21 -9.330 1.168 -0.808 1.00 0.00 O ATOM 326 CB GLU A 21 -10.003 3.972 0.772 1.00 0.00 C ATOM 327 CG GLU A 21 -11.031 4.350 1.858 1.00 0.00 C ATOM 328 CD GLU A 21 -11.629 5.723 1.562 1.00 0.00 C ATOM 329 OE1 GLU A 21 -12.268 5.873 0.486 1.00 0.00 O ATOM 330 OE2 GLU A 21 -11.460 6.641 2.410 1.00 0.00 O ATOM 0 H GLU A 21 -8.102 3.607 2.477 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.112 1.936 1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.246 4.753 0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.500 3.920 -0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.822 3.601 1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.551 4.357 2.837 1.00 0.00 H new ATOM 337 N GLU A 22 -7.409 2.291 -0.554 1.00 0.00 N ATOM 338 CA GLU A 22 -6.686 1.653 -1.674 1.00 0.00 C ATOM 339 C GLU A 22 -6.367 0.180 -1.429 1.00 0.00 C ATOM 340 O GLU A 22 -6.626 -0.682 -2.274 1.00 0.00 O ATOM 341 CB GLU A 22 -5.355 2.406 -1.947 1.00 0.00 C ATOM 342 CG GLU A 22 -5.531 3.660 -2.823 1.00 0.00 C ATOM 343 CD GLU A 22 -5.979 3.256 -4.228 1.00 0.00 C ATOM 344 OE1 GLU A 22 -7.074 3.707 -4.655 1.00 0.00 O ATOM 345 OE2 GLU A 22 -5.231 2.487 -4.892 1.00 0.00 O ATOM 0 H GLU A 22 -6.848 2.992 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.354 1.709 -2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.908 2.696 -0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.655 1.727 -2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.268 4.327 -2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.592 4.212 -2.876 1.00 0.00 H new ATOM 352 N PHE A 23 -5.850 -0.139 -0.200 1.00 0.00 N ATOM 353 CA PHE A 23 -5.605 -1.498 0.274 1.00 0.00 C ATOM 354 C PHE A 23 -6.898 -2.311 0.407 1.00 0.00 C ATOM 355 O PHE A 23 -6.989 -3.362 -0.199 1.00 0.00 O ATOM 356 CB PHE A 23 -4.819 -1.467 1.621 1.00 0.00 C ATOM 357 CG PHE A 23 -4.416 -2.806 2.206 1.00 0.00 C ATOM 358 CD1 PHE A 23 -3.923 -3.820 1.409 1.00 0.00 C ATOM 359 CD2 PHE A 23 -4.512 -3.026 3.568 1.00 0.00 C ATOM 360 CE1 PHE A 23 -3.542 -5.022 1.958 1.00 0.00 C ATOM 361 CE2 PHE A 23 -4.084 -4.206 4.128 1.00 0.00 C ATOM 362 CZ PHE A 23 -3.644 -5.227 3.313 1.00 0.00 C ATOM 0 H PHE A 23 -5.595 0.572 0.485 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.996 -2.002 -0.477 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.916 -0.874 1.474 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.428 -0.943 2.358 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.836 -3.668 0.343 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.930 -2.258 4.202 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.161 -5.808 1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.092 -4.333 5.201 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.380 -6.184 3.738 1.00 0.00 H new ATOM 372 N ARG A 24 -7.961 -1.832 1.112 1.00 0.00 N ATOM 373 CA ARG A 24 -9.252 -2.528 1.201 1.00 0.00 C ATOM 374 C ARG A 24 -10.079 -2.557 -0.089 1.00 0.00 C ATOM 375 O ARG A 24 -10.753 -3.550 -0.333 1.00 0.00 O ATOM 376 CB ARG A 24 -10.045 -2.187 2.491 1.00 0.00 C ATOM 377 CG ARG A 24 -11.097 -3.260 2.929 1.00 0.00 C ATOM 378 CD ARG A 24 -10.605 -4.094 4.121 1.00 0.00 C ATOM 379 NE ARG A 24 -9.381 -4.879 3.702 1.00 0.00 N ATOM 380 CZ ARG A 24 -8.082 -4.560 3.998 1.00 0.00 C ATOM 381 NH1 ARG A 24 -7.770 -3.525 4.827 1.00 0.00 N ATOM 382 NH2 ARG A 24 -7.077 -5.288 3.435 1.00 0.00 N ATOM 0 H ARG A 24 -7.935 -0.953 1.629 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.984 -3.579 1.312 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.336 -2.042 3.306 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.559 -1.237 2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.031 -2.765 3.194 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.313 -3.920 2.089 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.365 -3.443 4.962 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.390 -4.772 4.456 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.537 -5.722 3.149 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.513 -2.965 5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.794 -3.310 5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.297 -6.058 2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.105 -5.063 3.645 1.00 0.00 H new ATOM 396 N ASN A 25 -9.993 -1.561 -1.033 1.00 0.00 N ATOM 397 CA ASN A 25 -10.655 -1.669 -2.354 1.00 0.00 C ATOM 398 C ASN A 25 -10.037 -2.766 -3.236 1.00 0.00 C ATOM 399 O ASN A 25 -10.733 -3.675 -3.674 1.00 0.00 O ATOM 400 CB ASN A 25 -10.576 -0.322 -3.154 1.00 0.00 C ATOM 401 CG ASN A 25 -11.819 0.541 -2.904 1.00 0.00 C ATOM 402 OD1 ASN A 25 -12.873 0.310 -3.491 1.00 0.00 O ATOM 403 ND2 ASN A 25 -11.694 1.548 -2.010 1.00 0.00 N ATOM 0 H ASN A 25 -9.477 -0.692 -0.894 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.692 -1.920 -2.132 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.682 0.228 -2.859 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.484 -0.533 -4.219 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.492 2.148 -1.803 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.801 1.708 -1.543 1.00 0.00 H new ATOM 410 N ASP A 26 -8.691 -2.747 -3.428 1.00 0.00 N ATOM 411 CA ASP A 26 -7.955 -3.719 -4.241 1.00 0.00 C ATOM 412 C ASP A 26 -7.740 -5.088 -3.598 1.00 0.00 C ATOM 413 O ASP A 26 -8.107 -6.090 -4.206 1.00 0.00 O ATOM 414 CB ASP A 26 -6.628 -3.108 -4.732 1.00 0.00 C ATOM 415 CG ASP A 26 -6.881 -1.930 -5.679 1.00 0.00 C ATOM 416 OD1 ASP A 26 -7.496 -2.157 -6.755 1.00 0.00 O ATOM 417 OD2 ASP A 26 -6.456 -0.792 -5.342 1.00 0.00 O ATOM 0 H ASP A 26 -8.088 -2.039 -3.010 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.602 -3.931 -5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.040 -2.772 -3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.040 -3.870 -5.243 1.00 0.00 H new ATOM 422 N PHE A 27 -7.218 -5.188 -2.336 1.00 0.00 N ATOM 423 CA PHE A 27 -7.025 -6.424 -1.554 1.00 0.00 C ATOM 424 C PHE A 27 -8.321 -7.139 -1.257 1.00 0.00 C ATOM 425 O PHE A 27 -8.377 -8.352 -1.418 1.00 0.00 O ATOM 426 CB PHE A 27 -6.295 -6.172 -0.182 1.00 0.00 C ATOM 427 CG PHE A 27 -6.019 -7.338 0.764 1.00 0.00 C ATOM 428 CD1 PHE A 27 -4.739 -7.816 0.899 1.00 0.00 C ATOM 429 CD2 PHE A 27 -6.990 -7.817 1.641 1.00 0.00 C ATOM 430 CE1 PHE A 27 -4.414 -8.657 1.942 1.00 0.00 C ATOM 431 CE2 PHE A 27 -6.686 -8.728 2.630 1.00 0.00 C ATOM 432 CZ PHE A 27 -5.385 -9.140 2.792 1.00 0.00 C ATOM 0 H PHE A 27 -6.910 -4.361 -1.824 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.400 -7.047 -2.194 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.337 -5.704 -0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.886 -5.441 0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.982 -7.531 0.183 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.007 -7.466 1.543 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.383 -8.941 2.095 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.464 -9.115 3.272 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.126 -9.835 3.577 1.00 0.00 H new ATOM 442 N LEU A 28 -9.398 -6.422 -0.803 1.00 0.00 N ATOM 443 CA LEU A 28 -10.692 -7.016 -0.487 1.00 0.00 C ATOM 444 C LEU A 28 -11.415 -7.541 -1.735 1.00 0.00 C ATOM 445 O LEU A 28 -12.027 -8.607 -1.683 1.00 0.00 O ATOM 446 CB LEU A 28 -11.486 -6.158 0.527 1.00 0.00 C ATOM 447 CG LEU A 28 -12.209 -6.944 1.638 1.00 0.00 C ATOM 448 CD1 LEU A 28 -13.478 -6.258 2.161 1.00 0.00 C ATOM 449 CD2 LEU A 28 -11.321 -7.492 2.787 1.00 0.00 C ATOM 0 H LEU A 28 -9.368 -5.413 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.547 -7.941 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.800 -5.451 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.225 -5.572 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.527 -7.840 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.929 -6.873 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.221 -5.282 2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.187 -6.131 1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.944 -8.025 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.575 -8.173 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.820 -6.663 3.286 1.00 0.00 H new ATOM 461 N GLU A 29 -11.212 -6.854 -2.920 1.00 0.00 N ATOM 462 CA GLU A 29 -11.614 -7.317 -4.255 1.00 0.00 C ATOM 463 C GLU A 29 -10.903 -8.547 -4.743 1.00 0.00 C ATOM 464 O GLU A 29 -11.542 -9.477 -5.210 1.00 0.00 O ATOM 465 CB GLU A 29 -11.386 -6.260 -5.365 1.00 0.00 C ATOM 466 CG GLU A 29 -12.754 -5.743 -5.769 1.00 0.00 C ATOM 467 CD GLU A 29 -12.638 -4.565 -6.723 1.00 0.00 C ATOM 468 OE1 GLU A 29 -12.096 -4.759 -7.846 1.00 0.00 O ATOM 469 OE2 GLU A 29 -13.086 -3.450 -6.344 1.00 0.00 O ATOM 0 H GLU A 29 -10.751 -5.944 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.672 -7.528 -4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.758 -5.447 -5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.872 -6.702 -6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.322 -6.543 -6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.308 -5.441 -4.880 1.00 0.00 H new ATOM 476 N LEU A 30 -9.550 -8.549 -4.632 1.00 0.00 N ATOM 477 CA LEU A 30 -8.598 -9.603 -4.994 1.00 0.00 C ATOM 478 C LEU A 30 -8.744 -10.859 -4.154 1.00 0.00 C ATOM 479 O LEU A 30 -8.647 -11.974 -4.657 1.00 0.00 O ATOM 480 CB LEU A 30 -7.166 -9.045 -4.948 1.00 0.00 C ATOM 481 CG LEU A 30 -6.138 -9.713 -5.881 1.00 0.00 C ATOM 482 CD1 LEU A 30 -5.088 -8.657 -6.228 1.00 0.00 C ATOM 483 CD2 LEU A 30 -5.425 -10.946 -5.310 1.00 0.00 C ATOM 0 H LEU A 30 -9.066 -7.736 -4.252 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.826 -9.916 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.206 -7.983 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.801 -9.126 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.694 -10.081 -6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.339 -9.092 -6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.569 -7.816 -6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.606 -8.309 -5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.725 -11.336 -6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.882 -10.667 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.161 -11.712 -5.068 1.00 0.00 H new ATOM 495 N LEU A 31 -9.097 -10.665 -2.850 1.00 0.00 N ATOM 496 CA LEU A 31 -9.509 -11.623 -1.836 1.00 0.00 C ATOM 497 C LEU A 31 -10.819 -12.267 -2.253 1.00 0.00 C ATOM 498 O LEU A 31 -10.877 -13.483 -2.372 1.00 0.00 O ATOM 499 CB LEU A 31 -9.637 -10.899 -0.470 1.00 0.00 C ATOM 500 CG LEU A 31 -10.033 -11.718 0.775 1.00 0.00 C ATOM 501 CD1 LEU A 31 -10.208 -10.741 1.963 1.00 0.00 C ATOM 502 CD2 LEU A 31 -9.001 -12.832 1.042 1.00 0.00 C ATOM 0 H LEU A 31 -9.092 -9.721 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.764 -12.412 -1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.680 -10.422 -0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.372 -10.102 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.982 -12.231 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.489 -11.300 2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.270 -10.216 2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.989 -10.018 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.298 -13.399 1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.954 -13.499 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.020 -12.387 1.210 1.00 0.00 H new ATOM 514 N ARG A 32 -11.858 -11.446 -2.601 1.00 0.00 N ATOM 515 CA ARG A 32 -13.151 -11.846 -3.148 1.00 0.00 C ATOM 516 C ARG A 32 -13.124 -12.621 -4.479 1.00 0.00 C ATOM 517 O ARG A 32 -13.838 -13.604 -4.600 1.00 0.00 O ATOM 518 CB ARG A 32 -14.032 -10.580 -3.312 1.00 0.00 C ATOM 519 CG ARG A 32 -15.040 -10.378 -2.176 1.00 0.00 C ATOM 520 CD ARG A 32 -15.910 -9.130 -2.374 1.00 0.00 C ATOM 521 NE ARG A 32 -15.043 -7.910 -2.224 1.00 0.00 N ATOM 522 CZ ARG A 32 -15.492 -6.635 -2.442 1.00 0.00 C ATOM 523 NH1 ARG A 32 -16.778 -6.403 -2.837 1.00 0.00 N ATOM 524 NH2 ARG A 32 -14.639 -5.584 -2.261 1.00 0.00 N ATOM 0 H ARG A 32 -11.789 -10.434 -2.493 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.557 -12.557 -2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.386 -9.704 -3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.571 -10.644 -4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.682 -11.256 -2.104 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.504 -10.297 -1.230 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.374 -9.145 -3.360 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.718 -9.112 -1.642 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.070 -8.039 -1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.419 -7.185 -2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.098 -5.448 -2.996 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.677 -5.753 -1.966 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.964 -4.630 -2.421 1.00 0.00 H new ATOM 538 N ARG A 33 -12.342 -12.190 -5.512 1.00 0.00 N ATOM 539 CA ARG A 33 -12.025 -12.900 -6.761 1.00 0.00 C ATOM 540 C ARG A 33 -11.084 -14.067 -6.789 1.00 0.00 C ATOM 541 O ARG A 33 -11.385 -15.098 -7.380 1.00 0.00 O ATOM 542 CB ARG A 33 -11.767 -12.036 -8.016 1.00 0.00 C ATOM 543 CG ARG A 33 -10.974 -10.729 -7.860 1.00 0.00 C ATOM 544 CD ARG A 33 -9.951 -10.472 -8.972 1.00 0.00 C ATOM 545 NE ARG A 33 -9.116 -9.279 -8.588 1.00 0.00 N ATOM 546 CZ ARG A 33 -8.258 -8.656 -9.453 1.00 0.00 C ATOM 547 NH1 ARG A 33 -8.170 -9.049 -10.756 1.00 0.00 N ATOM 548 NH2 ARG A 33 -7.477 -7.630 -9.001 1.00 0.00 N ATOM 0 H ARG A 33 -11.893 -11.275 -5.479 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.017 -13.351 -6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.242 -12.656 -8.743 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.735 -11.786 -8.450 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.675 -9.895 -7.828 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.454 -10.746 -6.902 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.318 -11.348 -9.114 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.459 -10.290 -9.919 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.194 -8.918 -7.637 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.748 -9.817 -11.097 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.526 -8.575 -11.389 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.537 -7.335 -8.026 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.834 -7.159 -9.638 1.00 0.00 H new ATOM 562 N ARG A 34 -9.858 -13.909 -6.249 1.00 0.00 N ATOM 563 CA ARG A 34 -8.823 -14.913 -6.393 1.00 0.00 C ATOM 564 C ARG A 34 -8.911 -16.055 -5.392 1.00 0.00 C ATOM 565 O ARG A 34 -8.604 -17.206 -5.689 1.00 0.00 O ATOM 566 CB ARG A 34 -7.448 -14.244 -6.480 1.00 0.00 C ATOM 567 CG ARG A 34 -7.477 -13.157 -7.570 1.00 0.00 C ATOM 568 CD ARG A 34 -6.139 -13.099 -8.303 1.00 0.00 C ATOM 569 NE ARG A 34 -6.142 -11.931 -9.250 1.00 0.00 N ATOM 570 CZ ARG A 34 -4.995 -11.339 -9.711 1.00 0.00 C ATOM 571 NH1 ARG A 34 -3.768 -11.730 -9.259 1.00 0.00 N ATOM 572 NH2 ARG A 34 -5.085 -10.342 -10.637 1.00 0.00 N ATOM 0 H ARG A 34 -9.576 -13.089 -5.712 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.993 -15.425 -7.340 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.184 -13.804 -5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.684 -14.986 -6.711 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.278 -13.366 -8.279 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.694 -12.188 -7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.323 -13.000 -7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.971 -14.026 -8.851 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.040 -11.562 -9.564 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.693 -12.475 -8.566 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.926 -11.277 -9.614 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.999 -10.045 -10.979 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.239 -9.894 -10.988 1.00 0.00 H new ATOM 586 N PHE A 35 -9.345 -15.720 -4.157 1.00 0.00 N ATOM 587 CA PHE A 35 -9.447 -16.620 -3.028 1.00 0.00 C ATOM 588 C PHE A 35 -10.921 -16.948 -2.725 1.00 0.00 C ATOM 589 O PHE A 35 -11.234 -18.063 -2.296 1.00 0.00 O ATOM 590 CB PHE A 35 -8.693 -16.010 -1.785 1.00 0.00 C ATOM 591 CG PHE A 35 -7.242 -15.691 -2.063 1.00 0.00 C ATOM 592 CD1 PHE A 35 -6.173 -16.444 -1.594 1.00 0.00 C ATOM 593 CD2 PHE A 35 -6.946 -14.523 -2.742 1.00 0.00 C ATOM 594 CE1 PHE A 35 -4.875 -16.055 -1.853 1.00 0.00 C ATOM 595 CE2 PHE A 35 -5.660 -14.150 -3.028 1.00 0.00 C ATOM 596 CZ PHE A 35 -4.611 -14.918 -2.583 1.00 0.00 C ATOM 0 H PHE A 35 -9.642 -14.771 -3.929 1.00 0.00 H new ATOM 0 HA PHE A 35 -8.962 -17.565 -3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -9.204 -15.100 -1.470 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -8.750 -16.712 -0.953 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.360 -17.341 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.757 -13.883 -3.057 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.055 -16.650 -1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.471 -13.255 -3.602 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.593 -14.633 -2.803 1.00 0.00 H new ATOM 606 N GLY A 36 -11.879 -15.964 -2.862 1.00 0.00 N ATOM 607 CA GLY A 36 -13.265 -16.042 -2.416 1.00 0.00 C ATOM 608 C GLY A 36 -13.356 -15.819 -0.954 1.00 0.00 C ATOM 609 O GLY A 36 -13.200 -14.729 -0.409 1.00 0.00 O ATOM 0 H GLY A 36 -11.667 -15.071 -3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.864 -15.298 -2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.679 -17.019 -2.667 1.00 0.00 H new ATOM 613 N THR A 37 -13.566 -16.958 -0.272 1.00 0.00 N ATOM 614 CA THR A 37 -13.517 -17.070 1.160 1.00 0.00 C ATOM 615 C THR A 37 -12.704 -18.333 1.389 1.00 0.00 C ATOM 616 O THR A 37 -13.198 -19.447 1.231 1.00 0.00 O ATOM 617 CB THR A 37 -14.927 -17.206 1.758 1.00 0.00 C ATOM 618 OG1 THR A 37 -15.747 -18.144 1.063 1.00 0.00 O ATOM 619 CG2 THR A 37 -15.653 -15.866 1.667 1.00 0.00 C ATOM 0 H THR A 37 -13.780 -17.842 -0.734 1.00 0.00 H new ATOM 0 HA THR A 37 -13.083 -16.191 1.637 1.00 0.00 H new ATOM 0 HB THR A 37 -14.781 -17.544 2.784 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.225 -18.948 0.860 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.652 -15.964 2.091 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.095 -15.112 2.222 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.730 -15.564 0.622 1.00 0.00 H new ATOM 627 N LYS A 38 -11.464 -18.156 1.864 1.00 0.00 N ATOM 628 CA LYS A 38 -10.522 -19.218 2.186 1.00 0.00 C ATOM 629 C LYS A 38 -9.679 -18.751 3.348 1.00 0.00 C ATOM 630 O LYS A 38 -9.431 -17.557 3.485 1.00 0.00 O ATOM 631 CB LYS A 38 -9.610 -19.576 0.998 1.00 0.00 C ATOM 632 CG LYS A 38 -8.953 -20.956 1.173 1.00 0.00 C ATOM 633 CD LYS A 38 -7.717 -21.094 0.296 1.00 0.00 C ATOM 634 CE LYS A 38 -7.993 -21.102 -1.213 1.00 0.00 C ATOM 635 NZ LYS A 38 -6.728 -21.222 -1.973 1.00 0.00 N ATOM 0 H LYS A 38 -11.081 -17.227 2.039 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.084 -20.118 2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.193 -19.566 0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.836 -18.816 0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.678 -21.101 2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.670 -21.737 0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.036 -20.273 0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.202 -22.018 0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.654 -21.932 -1.463 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.510 -20.186 -1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.934 -21.226 -2.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.110 -20.416 -1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.250 -22.108 -1.713 1.00 0.00 H new ATOM 649 N ARG A 39 -9.150 -19.675 4.199 1.00 0.00 N ATOM 650 CA ARG A 39 -8.202 -19.393 5.270 1.00 0.00 C ATOM 651 C ARG A 39 -6.785 -19.211 4.695 1.00 0.00 C ATOM 652 O ARG A 39 -6.154 -20.133 4.185 1.00 0.00 O ATOM 653 CB ARG A 39 -8.298 -20.417 6.438 1.00 0.00 C ATOM 654 CG ARG A 39 -7.716 -21.830 6.241 1.00 0.00 C ATOM 655 CD ARG A 39 -8.460 -22.722 5.229 1.00 0.00 C ATOM 656 NE ARG A 39 -7.844 -24.097 5.225 1.00 0.00 N ATOM 657 CZ ARG A 39 -8.232 -25.114 6.057 1.00 0.00 C ATOM 658 NH1 ARG A 39 -9.237 -24.944 6.962 1.00 0.00 N ATOM 659 NH2 ARG A 39 -7.598 -26.323 5.974 1.00 0.00 N ATOM 0 H ARG A 39 -9.392 -20.664 4.140 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.471 -18.444 5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.805 -19.976 7.304 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.352 -20.528 6.693 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.679 -21.735 5.920 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.706 -22.337 7.206 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.516 -22.786 5.491 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.405 -22.284 4.232 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.091 -24.282 4.562 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.716 -24.046 7.029 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.510 -25.715 7.572 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.846 -26.459 5.298 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.877 -27.088 6.588 1.00 0.00 H new ATOM 673 N VAL A 40 -6.287 -17.959 4.695 1.00 0.00 N ATOM 674 CA VAL A 40 -5.026 -17.588 4.071 1.00 0.00 C ATOM 675 C VAL A 40 -4.500 -16.455 4.888 1.00 0.00 C ATOM 676 O VAL A 40 -5.284 -15.732 5.497 1.00 0.00 O ATOM 677 CB VAL A 40 -5.212 -17.213 2.590 1.00 0.00 C ATOM 678 CG1 VAL A 40 -6.252 -16.086 2.371 1.00 0.00 C ATOM 679 CG2 VAL A 40 -3.885 -16.902 1.863 1.00 0.00 C ATOM 0 H VAL A 40 -6.765 -17.174 5.138 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.320 -18.419 4.056 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.618 -18.114 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.335 -15.870 1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.221 -16.406 2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.932 -15.188 2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.091 -16.646 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.390 -16.063 2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.237 -17.777 1.899 1.00 0.00 H new ATOM 689 N HIS A 41 -3.148 -16.257 4.937 1.00 0.00 N ATOM 690 CA HIS A 41 -2.503 -15.166 5.658 1.00 0.00 C ATOM 691 C HIS A 41 -2.496 -13.942 4.789 1.00 0.00 C ATOM 692 O HIS A 41 -2.224 -13.967 3.583 1.00 0.00 O ATOM 693 CB HIS A 41 -1.046 -15.478 6.131 1.00 0.00 C ATOM 694 CG HIS A 41 -0.295 -14.513 7.067 1.00 0.00 C ATOM 695 ND1 HIS A 41 -0.512 -13.185 7.394 1.00 0.00 N ATOM 696 CD2 HIS A 41 0.819 -14.851 7.754 1.00 0.00 C ATOM 697 CE1 HIS A 41 0.477 -12.804 8.244 1.00 0.00 C ATOM 698 NE2 HIS A 41 1.288 -13.792 8.517 1.00 0.00 N ATOM 0 H HIS A 41 -2.486 -16.871 4.463 1.00 0.00 H new ATOM 0 HA HIS A 41 -3.085 -15.010 6.566 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -1.071 -16.449 6.626 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -0.437 -15.593 5.235 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.286 -15.824 7.714 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.580 -11.807 8.645 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.088 -13.786 9.150 1.00 0.00 H new ATOM 706 N ASN A 42 -2.794 -12.790 5.428 1.00 0.00 N ATOM 707 CA ASN A 42 -2.857 -11.469 4.763 1.00 0.00 C ATOM 708 C ASN A 42 -1.570 -11.032 4.034 1.00 0.00 C ATOM 709 O ASN A 42 -1.602 -10.327 3.040 1.00 0.00 O ATOM 710 CB ASN A 42 -3.150 -10.249 5.660 1.00 0.00 C ATOM 711 CG ASN A 42 -4.139 -10.576 6.747 1.00 0.00 C ATOM 712 OD1 ASN A 42 -3.846 -11.430 7.593 1.00 0.00 O ATOM 713 ND2 ASN A 42 -5.266 -9.822 6.761 1.00 0.00 N ATOM 0 H ASN A 42 -2.999 -12.750 6.426 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.686 -11.688 4.090 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.221 -9.897 6.108 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.538 -9.434 5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.948 -9.939 7.510 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.431 -9.138 6.023 1.00 0.00 H new ATOM 720 N ASN A 43 -0.391 -11.504 4.540 1.00 0.00 N ATOM 721 CA ASN A 43 0.962 -11.310 4.020 1.00 0.00 C ATOM 722 C ASN A 43 1.167 -12.020 2.675 1.00 0.00 C ATOM 723 O ASN A 43 1.901 -11.538 1.827 1.00 0.00 O ATOM 724 CB ASN A 43 2.008 -11.671 5.117 1.00 0.00 C ATOM 725 CG ASN A 43 3.365 -10.971 4.961 1.00 0.00 C ATOM 726 OD1 ASN A 43 4.322 -11.526 4.425 1.00 0.00 O ATOM 727 ND2 ASN A 43 3.492 -9.717 5.478 1.00 0.00 N ATOM 0 H ASN A 43 -0.382 -12.071 5.388 1.00 0.00 H new ATOM 0 HA ASN A 43 1.115 -10.256 3.787 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.594 -11.418 6.093 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.167 -12.749 5.108 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.387 -9.231 5.422 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.692 -9.265 5.921 1.00 0.00 H new ATOM 734 N ILE A 44 0.421 -13.132 2.404 1.00 0.00 N ATOM 735 CA ILE A 44 0.338 -13.822 1.107 1.00 0.00 C ATOM 736 C ILE A 44 -0.545 -13.027 0.141 1.00 0.00 C ATOM 737 O ILE A 44 -0.219 -12.855 -1.031 1.00 0.00 O ATOM 738 CB ILE A 44 -0.180 -15.263 1.236 1.00 0.00 C ATOM 739 CG1 ILE A 44 0.653 -15.988 2.329 1.00 0.00 C ATOM 740 CG2 ILE A 44 -0.182 -15.976 -0.147 1.00 0.00 C ATOM 741 CD1 ILE A 44 0.686 -17.513 2.210 1.00 0.00 C ATOM 0 H ILE A 44 -0.155 -13.578 3.118 1.00 0.00 H new ATOM 0 HA ILE A 44 1.352 -13.882 0.711 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.221 -15.278 1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.676 -15.613 2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.251 -15.723 3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.552 -16.994 -0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.828 -15.431 -0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.833 -16.002 -0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.291 -17.928 3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.329 -17.905 2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.119 -17.794 1.250 1.00 0.00 H new ATOM 753 N VAL A 45 -1.693 -12.488 0.660 1.00 0.00 N ATOM 754 CA VAL A 45 -2.662 -11.677 -0.103 1.00 0.00 C ATOM 755 C VAL A 45 -2.143 -10.251 -0.419 1.00 0.00 C ATOM 756 O VAL A 45 -2.340 -9.770 -1.528 1.00 0.00 O ATOM 757 CB VAL A 45 -4.081 -11.701 0.493 1.00 0.00 C ATOM 758 CG1 VAL A 45 -4.522 -13.156 0.768 1.00 0.00 C ATOM 759 CG2 VAL A 45 -5.124 -11.057 -0.457 1.00 0.00 C ATOM 0 H VAL A 45 -1.962 -12.615 1.636 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.758 -12.168 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.040 -11.126 1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.527 -13.158 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.518 -13.720 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.832 -13.618 1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.110 -11.097 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.853 -10.018 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.143 -11.603 -1.400 1.00 0.00 H new ATOM 769 N TYR A 46 -1.406 -9.563 0.531 1.00 0.00 N ATOM 770 CA TYR A 46 -0.747 -8.230 0.431 1.00 0.00 C ATOM 771 C TYR A 46 0.286 -8.221 -0.677 1.00 0.00 C ATOM 772 O TYR A 46 0.194 -7.410 -1.583 1.00 0.00 O ATOM 773 CB TYR A 46 -0.063 -7.764 1.786 1.00 0.00 C ATOM 774 CG TYR A 46 -0.117 -6.277 2.169 1.00 0.00 C ATOM 775 CD1 TYR A 46 -0.100 -5.150 1.338 1.00 0.00 C ATOM 776 CD2 TYR A 46 -0.233 -6.023 3.528 1.00 0.00 C ATOM 777 CE1 TYR A 46 -0.368 -3.891 1.845 1.00 0.00 C ATOM 778 CE2 TYR A 46 -0.711 -4.821 3.990 1.00 0.00 C ATOM 779 CZ TYR A 46 -0.776 -3.735 3.151 1.00 0.00 C ATOM 780 OH TYR A 46 -1.257 -2.494 3.617 1.00 0.00 O ATOM 0 H TYR A 46 -1.255 -9.972 1.453 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.545 -7.522 0.206 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.519 -8.331 2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.986 -8.056 1.744 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.125 -5.265 0.288 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.058 -6.785 4.236 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.256 -3.024 1.211 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -1.037 -4.729 5.016 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.235 -2.520 3.666 1.00 0.00 H new ATOM 790 N ASN A 47 1.208 -9.225 -0.667 1.00 0.00 N ATOM 791 CA ASN A 47 2.252 -9.558 -1.645 1.00 0.00 C ATOM 792 C ASN A 47 1.713 -9.949 -3.009 1.00 0.00 C ATOM 793 O ASN A 47 2.358 -9.769 -4.034 1.00 0.00 O ATOM 794 CB ASN A 47 3.203 -10.643 -1.084 1.00 0.00 C ATOM 795 CG ASN A 47 4.097 -9.862 -0.136 1.00 0.00 C ATOM 796 OD1 ASN A 47 5.099 -9.296 -0.567 1.00 0.00 O ATOM 797 ND2 ASN A 47 3.613 -9.671 1.110 1.00 0.00 N ATOM 0 H ASN A 47 1.229 -9.882 0.113 1.00 0.00 H new ATOM 0 HA ASN A 47 2.818 -8.641 -1.807 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.655 -11.430 -0.565 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.778 -11.124 -1.876 1.00 0.00 H new ATOM 0 HD21 ASN A 47 4.084 -9.029 1.747 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.776 -10.169 1.414 1.00 0.00 H new ATOM 804 N GLU A 48 0.465 -10.474 -3.027 1.00 0.00 N ATOM 805 CA GLU A 48 -0.305 -10.802 -4.248 1.00 0.00 C ATOM 806 C GLU A 48 -0.928 -9.551 -4.894 1.00 0.00 C ATOM 807 O GLU A 48 -0.890 -9.345 -6.105 1.00 0.00 O ATOM 808 CB GLU A 48 -1.408 -11.880 -4.033 1.00 0.00 C ATOM 809 CG GLU A 48 -2.021 -12.379 -5.360 1.00 0.00 C ATOM 810 CD GLU A 48 -2.632 -13.774 -5.248 1.00 0.00 C ATOM 811 OE1 GLU A 48 -3.826 -13.932 -5.614 1.00 0.00 O ATOM 812 OE2 GLU A 48 -1.900 -14.709 -4.825 1.00 0.00 O ATOM 0 H GLU A 48 -0.046 -10.686 -2.170 1.00 0.00 H new ATOM 0 HA GLU A 48 0.435 -11.228 -4.926 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.983 -12.726 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.198 -11.466 -3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.789 -11.677 -5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.249 -12.387 -6.130 1.00 0.00 H new ATOM 819 N TYR A 49 -1.477 -8.667 -4.021 1.00 0.00 N ATOM 820 CA TYR A 49 -2.107 -7.371 -4.250 1.00 0.00 C ATOM 821 C TYR A 49 -1.141 -6.320 -4.801 1.00 0.00 C ATOM 822 O TYR A 49 -1.447 -5.643 -5.772 1.00 0.00 O ATOM 823 CB TYR A 49 -2.958 -7.004 -2.968 1.00 0.00 C ATOM 824 CG TYR A 49 -3.040 -5.555 -2.567 1.00 0.00 C ATOM 825 CD1 TYR A 49 -2.145 -5.108 -1.626 1.00 0.00 C ATOM 826 CD2 TYR A 49 -3.802 -4.626 -3.235 1.00 0.00 C ATOM 827 CE1 TYR A 49 -1.897 -3.774 -1.434 1.00 0.00 C ATOM 828 CE2 TYR A 49 -3.624 -3.286 -2.966 1.00 0.00 C ATOM 829 CZ TYR A 49 -2.668 -2.846 -2.084 1.00 0.00 C ATOM 830 OH TYR A 49 -2.452 -1.464 -1.940 1.00 0.00 O ATOM 0 H TYR A 49 -1.481 -8.887 -3.025 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.819 -7.413 -5.074 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.974 -7.365 -3.127 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.550 -7.562 -2.125 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.620 -5.830 -1.018 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.533 -4.943 -3.964 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.101 -3.457 -0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.254 -2.562 -3.462 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.549 -1.240 -2.249 1.00 0.00 H new ATOM 840 N ILE A 50 0.053 -6.154 -4.210 1.00 0.00 N ATOM 841 CA ILE A 50 1.018 -5.111 -4.582 1.00 0.00 C ATOM 842 C ILE A 50 1.930 -5.258 -5.770 1.00 0.00 C ATOM 843 O ILE A 50 2.683 -4.335 -6.073 1.00 0.00 O ATOM 844 CB ILE A 50 1.883 -4.698 -3.441 1.00 0.00 C ATOM 845 CG1 ILE A 50 2.682 -5.877 -2.839 1.00 0.00 C ATOM 846 CG2 ILE A 50 0.941 -4.104 -2.429 1.00 0.00 C ATOM 847 CD1 ILE A 50 3.425 -5.642 -1.531 1.00 0.00 C ATOM 0 H ILE A 50 0.378 -6.750 -3.449 1.00 0.00 H new ATOM 0 HA ILE A 50 0.282 -4.373 -4.901 1.00 0.00 H new ATOM 0 HB ILE A 50 2.643 -3.988 -3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.991 -6.706 -2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.410 -6.202 -3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.505 -3.775 -1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.424 -3.251 -2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.211 -4.855 -2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.937 -6.557 -1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.156 -4.844 -1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.715 -5.356 -0.755 1.00 0.00 H new ATOM 859 N SER A 51 1.875 -6.391 -6.494 1.00 0.00 N ATOM 860 CA SER A 51 2.629 -6.610 -7.743 1.00 0.00 C ATOM 861 C SER A 51 1.958 -5.941 -8.975 1.00 0.00 C ATOM 862 O SER A 51 2.454 -6.003 -10.097 1.00 0.00 O ATOM 863 CB SER A 51 2.969 -8.097 -8.029 1.00 0.00 C ATOM 864 OG SER A 51 4.013 -8.205 -9.000 1.00 0.00 O ATOM 0 H SER A 51 1.300 -7.189 -6.226 1.00 0.00 H new ATOM 0 HA SER A 51 3.582 -6.110 -7.571 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.274 -8.588 -7.105 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.079 -8.615 -8.387 1.00 0.00 H new ATOM 0 HG SER A 51 3.820 -7.611 -9.755 1.00 0.00 H new ATOM 870 N HIS A 52 0.818 -5.259 -8.707 1.00 0.00 N ATOM 871 CA HIS A 52 -0.015 -4.390 -9.520 1.00 0.00 C ATOM 872 C HIS A 52 0.452 -2.934 -9.241 1.00 0.00 C ATOM 873 O HIS A 52 1.509 -2.724 -8.650 1.00 0.00 O ATOM 874 CB HIS A 52 -1.479 -4.614 -9.036 1.00 0.00 C ATOM 875 CG HIS A 52 -2.086 -5.981 -9.306 1.00 0.00 C ATOM 876 ND1 HIS A 52 -2.945 -6.263 -10.356 1.00 0.00 N ATOM 877 CD2 HIS A 52 -2.074 -7.111 -8.540 1.00 0.00 C ATOM 878 CE1 HIS A 52 -3.413 -7.523 -10.160 1.00 0.00 C ATOM 879 NE2 HIS A 52 -2.914 -8.075 -9.077 1.00 0.00 N ATOM 0 H HIS A 52 0.419 -5.330 -7.771 1.00 0.00 H new ATOM 0 HA HIS A 52 0.052 -4.588 -10.590 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.514 -4.433 -7.962 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.112 -3.862 -9.507 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.491 -7.237 -7.640 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.114 -8.014 -10.818 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.103 -9.008 -8.711 1.00 0.00 H new ATOM 887 N ARG A 53 -0.314 -1.858 -9.608 1.00 0.00 N ATOM 888 CA ARG A 53 0.031 -0.431 -9.399 1.00 0.00 C ATOM 889 C ARG A 53 0.253 0.061 -7.963 1.00 0.00 C ATOM 890 O ARG A 53 1.094 0.904 -7.667 1.00 0.00 O ATOM 891 CB ARG A 53 -0.987 0.531 -10.087 1.00 0.00 C ATOM 892 CG ARG A 53 -2.433 0.412 -9.560 1.00 0.00 C ATOM 893 CD ARG A 53 -2.905 1.403 -8.462 1.00 0.00 C ATOM 894 NE ARG A 53 -2.975 2.783 -9.058 1.00 0.00 N ATOM 895 CZ ARG A 53 -3.099 3.922 -8.309 1.00 0.00 C ATOM 896 NH1 ARG A 53 -3.144 3.867 -6.945 1.00 0.00 N ATOM 897 NH2 ARG A 53 -3.180 5.132 -8.936 1.00 0.00 N ATOM 0 H ARG A 53 -1.215 -1.975 -10.071 1.00 0.00 H new ATOM 0 HA ARG A 53 1.014 -0.398 -9.869 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.647 1.558 -9.951 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.987 0.334 -11.159 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.106 0.516 -10.411 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.563 -0.599 -9.172 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.882 1.106 -8.079 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.215 1.390 -7.619 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.928 2.874 -10.073 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.085 2.967 -6.469 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.237 4.726 -6.403 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.148 5.182 -9.954 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.273 5.986 -8.386 1.00 0.00 H new ATOM 911 N GLU A 54 -0.621 -0.474 -7.096 1.00 0.00 N ATOM 912 CA GLU A 54 -0.986 -0.244 -5.719 1.00 0.00 C ATOM 913 C GLU A 54 -0.012 -0.461 -4.603 1.00 0.00 C ATOM 914 O GLU A 54 -0.458 -0.499 -3.455 1.00 0.00 O ATOM 915 CB GLU A 54 -2.248 -1.089 -5.481 1.00 0.00 C ATOM 916 CG GLU A 54 -2.000 -2.580 -5.787 1.00 0.00 C ATOM 917 CD GLU A 54 -3.178 -3.105 -6.612 1.00 0.00 C ATOM 918 OE1 GLU A 54 -3.748 -4.169 -6.261 1.00 0.00 O ATOM 919 OE2 GLU A 54 -3.518 -2.452 -7.635 1.00 0.00 O ATOM 0 H GLU A 54 -1.199 -1.239 -7.444 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.091 0.839 -5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.571 -0.978 -4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.058 -0.718 -6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.067 -2.705 -6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.903 -3.146 -4.861 1.00 0.00 H new ATOM 926 N HIS A 55 1.309 -0.651 -4.900 1.00 0.00 N ATOM 927 CA HIS A 55 2.410 -0.867 -3.949 1.00 0.00 C ATOM 928 C HIS A 55 2.481 0.064 -2.732 1.00 0.00 C ATOM 929 O HIS A 55 2.935 1.206 -2.761 1.00 0.00 O ATOM 930 CB HIS A 55 3.815 -1.053 -4.584 1.00 0.00 C ATOM 931 CG HIS A 55 4.820 -1.577 -3.574 1.00 0.00 C ATOM 932 ND1 HIS A 55 4.764 -2.721 -2.839 1.00 0.00 N flip ATOM 933 CD2 HIS A 55 5.861 -0.842 -3.040 1.00 0.00 C flip ATOM 934 CE1 HIS A 55 5.749 -2.717 -1.855 1.00 0.00 C flip ATOM 935 NE2 HIS A 55 6.388 -1.574 -2.027 1.00 0.00 N flip ATOM 0 H HIS A 55 1.637 -0.655 -5.866 1.00 0.00 H new ATOM 0 HA HIS A 55 2.102 -1.833 -3.550 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.747 -1.745 -5.423 1.00 0.00 H new ATOM 0 HB3 HIS A 55 4.163 -0.101 -4.984 1.00 0.00 H new ATOM 0 HD2 HIS A 55 6.193 0.132 -3.368 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.947 -3.479 -1.116 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.185 -1.277 -1.464 1.00 0.00 H new ATOM 943 N ILE A 56 1.949 -0.532 -1.649 1.00 0.00 N ATOM 944 CA ILE A 56 1.751 -0.124 -0.289 1.00 0.00 C ATOM 945 C ILE A 56 2.323 -1.318 0.425 1.00 0.00 C ATOM 946 O ILE A 56 2.328 -2.415 -0.112 1.00 0.00 O ATOM 947 CB ILE A 56 0.268 -0.008 0.014 1.00 0.00 C ATOM 948 CG1 ILE A 56 -0.211 1.274 -0.682 1.00 0.00 C ATOM 949 CG2 ILE A 56 -0.126 0.004 1.524 1.00 0.00 C ATOM 950 CD1 ILE A 56 -1.680 1.443 -0.391 1.00 0.00 C ATOM 0 H ILE A 56 1.592 -1.481 -1.759 1.00 0.00 H new ATOM 0 HA ILE A 56 2.191 0.838 -0.026 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.218 -0.911 -0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.350 2.136 -0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.041 1.210 -1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.209 0.090 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.206 -0.922 1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.349 0.852 2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.045 2.349 -0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.228 0.581 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.831 1.521 0.686 1.00 0.00 H new ATOM 962 N HIS A 57 2.749 -1.183 1.683 1.00 0.00 N ATOM 963 CA HIS A 57 3.032 -2.322 2.525 1.00 0.00 C ATOM 964 C HIS A 57 2.353 -1.951 3.827 1.00 0.00 C ATOM 965 O HIS A 57 2.133 -0.767 4.085 1.00 0.00 O ATOM 966 CB HIS A 57 4.537 -2.668 2.607 1.00 0.00 C ATOM 967 CG HIS A 57 4.754 -4.084 2.109 1.00 0.00 C ATOM 968 ND1 HIS A 57 5.344 -4.475 0.921 1.00 0.00 N ATOM 969 CD2 HIS A 57 4.291 -5.232 2.679 1.00 0.00 C ATOM 970 CE1 HIS A 57 5.232 -5.832 0.857 1.00 0.00 C ATOM 971 NE2 HIS A 57 4.580 -6.329 1.892 1.00 0.00 N ATOM 0 H HIS A 57 2.903 -0.281 2.134 1.00 0.00 H new ATOM 0 HA HIS A 57 2.648 -3.267 2.140 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.116 -1.966 2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.888 -2.574 3.635 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.767 -5.278 3.622 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.631 -6.432 0.052 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.343 -7.305 2.070 1.00 0.00 H new ATOM 979 N MET A 58 1.997 -2.951 4.685 1.00 0.00 N ATOM 980 CA MET A 58 1.199 -2.899 5.936 1.00 0.00 C ATOM 981 C MET A 58 1.567 -1.904 7.018 1.00 0.00 C ATOM 982 O MET A 58 0.835 -1.610 7.957 1.00 0.00 O ATOM 983 CB MET A 58 1.066 -4.329 6.540 1.00 0.00 C ATOM 984 CG MET A 58 1.991 -4.816 7.678 1.00 0.00 C ATOM 985 SD MET A 58 1.601 -4.306 9.384 1.00 0.00 S ATOM 986 CE MET A 58 -0.213 -4.407 9.304 1.00 0.00 C ATOM 0 H MET A 58 2.294 -3.908 4.494 1.00 0.00 H new ATOM 0 HA MET A 58 0.251 -2.495 5.582 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.042 -4.426 6.901 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.181 -5.033 5.716 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.006 -5.906 7.652 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.002 -4.478 7.453 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.616 -4.516 10.311 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.608 -3.498 8.852 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.503 -5.268 8.701 1.00 0.00 H new ATOM 996 N ASN A 59 2.761 -1.358 6.825 1.00 0.00 N ATOM 997 CA ASN A 59 3.564 -0.424 7.546 1.00 0.00 C ATOM 998 C ASN A 59 3.072 1.019 7.235 1.00 0.00 C ATOM 999 O ASN A 59 3.143 1.902 8.082 1.00 0.00 O ATOM 1000 CB ASN A 59 5.023 -0.842 7.140 1.00 0.00 C ATOM 1001 CG ASN A 59 5.158 -2.389 7.293 1.00 0.00 C ATOM 1002 OD1 ASN A 59 5.054 -3.165 6.168 1.00 0.00 O flip ATOM 1003 ND2 ASN A 59 5.237 -2.906 8.405 1.00 0.00 N flip ATOM 0 H ASN A 59 3.269 -1.632 5.984 1.00 0.00 H new ATOM 0 HA ASN A 59 3.508 -0.432 8.635 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.230 -0.544 6.112 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.752 -0.334 7.772 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.314 -2.319 9.236 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.226 -3.922 8.497 1.00 0.00 H new ATOM 1010 N ALA A 60 2.428 1.244 6.033 1.00 0.00 N ATOM 1011 CA ALA A 60 1.683 2.459 5.623 1.00 0.00 C ATOM 1012 C ALA A 60 0.231 2.433 6.110 1.00 0.00 C ATOM 1013 O ALA A 60 -0.709 2.572 5.335 1.00 0.00 O ATOM 1014 CB ALA A 60 1.634 2.599 4.076 1.00 0.00 C ATOM 0 H ALA A 60 2.425 0.536 5.299 1.00 0.00 H new ATOM 0 HA ALA A 60 2.218 3.296 6.073 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.081 3.500 3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.649 2.667 3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.138 1.728 3.647 1.00 0.00 H new ATOM 1020 N THR A 61 0.014 2.178 7.422 1.00 0.00 N ATOM 1021 CA THR A 61 -1.309 1.988 8.023 1.00 0.00 C ATOM 1022 C THR A 61 -1.313 2.553 9.456 1.00 0.00 C ATOM 1023 O THR A 61 -0.352 3.177 9.901 1.00 0.00 O ATOM 1024 CB THR A 61 -1.779 0.494 8.006 1.00 0.00 C ATOM 1025 OG1 THR A 61 -1.148 -0.340 8.985 1.00 0.00 O ATOM 1026 CG2 THR A 61 -1.590 -0.205 6.639 1.00 0.00 C ATOM 0 H THR A 61 0.774 2.099 8.097 1.00 0.00 H new ATOM 0 HA THR A 61 -2.028 2.536 7.413 1.00 0.00 H new ATOM 0 HB THR A 61 -2.839 0.593 8.239 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.613 -1.026 8.534 1.00 0.00 H new ATOM 0 HG21 THR A 61 -1.938 -1.236 6.706 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.164 0.323 5.878 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.534 -0.195 6.368 1.00 0.00 H new ATOM 1034 N GLN A 62 -2.397 2.269 10.246 1.00 0.00 N ATOM 1035 CA GLN A 62 -2.517 2.567 11.682 1.00 0.00 C ATOM 1036 C GLN A 62 -2.175 1.328 12.531 1.00 0.00 C ATOM 1037 O GLN A 62 -2.297 1.317 13.759 1.00 0.00 O ATOM 1038 CB GLN A 62 -3.967 3.023 12.050 1.00 0.00 C ATOM 1039 CG GLN A 62 -5.032 1.897 11.999 1.00 0.00 C ATOM 1040 CD GLN A 62 -6.453 2.369 12.307 1.00 0.00 C ATOM 1041 OE1 GLN A 62 -6.725 3.469 12.792 1.00 0.00 O ATOM 1042 NE2 GLN A 62 -7.417 1.440 12.069 1.00 0.00 N ATOM 0 H GLN A 62 -3.229 1.812 9.873 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.815 3.373 11.895 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.956 3.449 13.053 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -4.267 3.819 11.369 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.018 1.443 11.008 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.757 1.118 12.711 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.167 0.537 11.667 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.391 1.646 12.293 1.00 0.00 H new ATOM 1051 N TRP A 63 -1.811 0.223 11.839 1.00 0.00 N ATOM 1052 CA TRP A 63 -1.561 -1.102 12.351 1.00 0.00 C ATOM 1053 C TRP A 63 -0.035 -1.326 12.405 1.00 0.00 C ATOM 1054 O TRP A 63 0.629 -1.417 11.376 1.00 0.00 O ATOM 1055 CB TRP A 63 -2.313 -2.142 11.424 1.00 0.00 C ATOM 1056 CG TRP A 63 -3.765 -1.804 10.949 1.00 0.00 C ATOM 1057 CD1 TRP A 63 -4.867 -1.547 11.725 1.00 0.00 C ATOM 1058 CD2 TRP A 63 -4.274 -1.846 9.579 1.00 0.00 C ATOM 1059 NE1 TRP A 63 -6.004 -1.414 10.934 1.00 0.00 N ATOM 1060 CE2 TRP A 63 -5.640 -1.606 9.618 1.00 0.00 C ATOM 1061 CE3 TRP A 63 -3.686 -2.111 8.372 1.00 0.00 C ATOM 1062 CZ2 TRP A 63 -6.395 -1.626 8.471 1.00 0.00 C ATOM 1063 CZ3 TRP A 63 -4.448 -2.037 7.203 1.00 0.00 C ATOM 1064 CH2 TRP A 63 -5.811 -1.785 7.230 1.00 0.00 C ATOM 0 H TRP A 63 -1.680 0.262 10.828 1.00 0.00 H new ATOM 0 HA TRP A 63 -1.942 -1.232 13.364 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -1.701 -2.297 10.535 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -2.351 -3.093 11.955 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -4.854 -1.460 12.801 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.945 -1.210 11.270 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.640 -2.376 8.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -7.467 -1.515 8.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -3.961 -2.180 6.250 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -6.390 -1.716 6.321 1.00 0.00 H new ATOM 1075 N GLU A 64 0.572 -1.399 13.628 1.00 0.00 N ATOM 1076 CA GLU A 64 2.017 -1.516 13.882 1.00 0.00 C ATOM 1077 C GLU A 64 2.635 -2.887 13.576 1.00 0.00 C ATOM 1078 O GLU A 64 3.847 -3.080 13.522 1.00 0.00 O ATOM 1079 CB GLU A 64 2.240 -1.088 15.365 1.00 0.00 C ATOM 1080 CG GLU A 64 3.667 -1.238 15.928 1.00 0.00 C ATOM 1081 CD GLU A 64 3.788 -0.513 17.267 1.00 0.00 C ATOM 1082 OE1 GLU A 64 4.010 -1.201 18.299 1.00 0.00 O ATOM 1083 OE2 GLU A 64 3.663 0.741 17.276 1.00 0.00 O ATOM 0 H GLU A 64 0.031 -1.376 14.493 1.00 0.00 H new ATOM 0 HA GLU A 64 2.543 -0.865 13.184 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.944 -0.044 15.465 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.565 -1.671 15.991 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.906 -2.294 16.056 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.389 -0.831 15.220 1.00 0.00 H new ATOM 1090 N THR A 65 1.774 -3.891 13.363 1.00 0.00 N ATOM 1091 CA THR A 65 2.120 -5.263 13.065 1.00 0.00 C ATOM 1092 C THR A 65 0.834 -5.788 12.453 1.00 0.00 C ATOM 1093 O THR A 65 -0.232 -5.207 12.666 1.00 0.00 O ATOM 1094 CB THR A 65 2.666 -6.038 14.281 1.00 0.00 C ATOM 1095 OG1 THR A 65 2.709 -7.445 14.083 1.00 0.00 O ATOM 1096 CG2 THR A 65 1.887 -5.740 15.577 1.00 0.00 C ATOM 0 H THR A 65 0.765 -3.746 13.399 1.00 0.00 H new ATOM 0 HA THR A 65 2.963 -5.378 12.384 1.00 0.00 H new ATOM 0 HB THR A 65 3.688 -5.676 14.388 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.065 -7.878 14.887 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.316 -6.313 16.399 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.952 -4.676 15.804 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.842 -6.020 15.446 1.00 0.00 H new ATOM 1104 N LEU A 66 0.907 -6.892 11.646 1.00 0.00 N ATOM 1105 CA LEU A 66 -0.121 -7.551 10.830 1.00 0.00 C ATOM 1106 C LEU A 66 -1.370 -7.993 11.578 1.00 0.00 C ATOM 1107 O LEU A 66 -2.485 -7.955 11.058 1.00 0.00 O ATOM 1108 CB LEU A 66 0.554 -8.703 10.050 1.00 0.00 C ATOM 1109 CG LEU A 66 -0.072 -9.194 8.717 1.00 0.00 C ATOM 1110 CD1 LEU A 66 0.165 -8.216 7.555 1.00 0.00 C ATOM 1111 CD2 LEU A 66 -1.544 -9.632 8.773 1.00 0.00 C ATOM 0 H LEU A 66 1.796 -7.384 11.554 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.521 -6.807 10.142 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.578 -8.397 9.836 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.611 -9.561 10.720 1.00 0.00 H new ATOM 0 HG LEU A 66 0.480 -10.114 8.525 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.294 -8.610 6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.279 -7.250 7.796 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.236 -8.093 7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.866 -9.953 7.782 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.651 -10.459 9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.160 -8.795 9.101 1.00 0.00 H new ATOM 1123 N THR A 67 -1.176 -8.337 12.866 1.00 0.00 N ATOM 1124 CA THR A 67 -2.111 -8.709 13.924 1.00 0.00 C ATOM 1125 C THR A 67 -3.163 -7.643 14.244 1.00 0.00 C ATOM 1126 O THR A 67 -4.334 -7.949 14.418 1.00 0.00 O ATOM 1127 CB THR A 67 -1.266 -9.057 15.147 1.00 0.00 C ATOM 1128 OG1 THR A 67 -0.397 -10.138 14.822 1.00 0.00 O ATOM 1129 CG2 THR A 67 -2.115 -9.435 16.363 1.00 0.00 C ATOM 0 H THR A 67 -0.223 -8.360 13.229 1.00 0.00 H new ATOM 0 HA THR A 67 -2.706 -9.558 13.589 1.00 0.00 H new ATOM 0 HB THR A 67 -0.696 -8.167 15.415 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.920 -10.962 14.730 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.462 -9.673 17.203 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.760 -8.598 16.630 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.728 -10.304 16.123 1.00 0.00 H new ATOM 1137 N ASP A 68 -2.793 -6.333 14.279 1.00 0.00 N ATOM 1138 CA ASP A 68 -3.683 -5.176 14.502 1.00 0.00 C ATOM 1139 C ASP A 68 -4.602 -4.820 13.334 1.00 0.00 C ATOM 1140 O ASP A 68 -5.713 -4.321 13.506 1.00 0.00 O ATOM 1141 CB ASP A 68 -2.865 -3.914 14.919 1.00 0.00 C ATOM 1142 CG ASP A 68 -3.639 -3.007 15.880 1.00 0.00 C ATOM 1143 OD1 ASP A 68 -3.877 -1.824 15.516 1.00 0.00 O ATOM 1144 OD2 ASP A 68 -4.000 -3.487 16.988 1.00 0.00 O ATOM 0 H ASP A 68 -1.822 -6.050 14.146 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.339 -5.498 15.311 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.934 -4.228 15.391 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.596 -3.348 14.027 1.00 0.00 H new ATOM 1149 N PHE A 69 -4.147 -5.154 12.098 1.00 0.00 N ATOM 1150 CA PHE A 69 -4.849 -5.071 10.819 1.00 0.00 C ATOM 1151 C PHE A 69 -5.908 -6.172 10.745 1.00 0.00 C ATOM 1152 O PHE A 69 -7.033 -5.989 10.274 1.00 0.00 O ATOM 1153 CB PHE A 69 -3.753 -5.172 9.709 1.00 0.00 C ATOM 1154 CG PHE A 69 -4.173 -5.531 8.303 1.00 0.00 C ATOM 1155 CD1 PHE A 69 -3.324 -6.320 7.558 1.00 0.00 C ATOM 1156 CD2 PHE A 69 -5.412 -5.210 7.778 1.00 0.00 C ATOM 1157 CE1 PHE A 69 -3.744 -6.871 6.371 1.00 0.00 C ATOM 1158 CE2 PHE A 69 -5.862 -5.830 6.641 1.00 0.00 C ATOM 1159 CZ PHE A 69 -5.037 -6.677 5.935 1.00 0.00 C ATOM 0 H PHE A 69 -3.201 -5.516 11.976 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.393 -4.135 10.689 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.238 -4.212 9.665 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.021 -5.912 10.034 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -2.320 -6.507 7.910 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.027 -4.468 8.266 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.058 -7.458 5.778 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.870 -5.653 6.297 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.398 -7.182 5.052 1.00 0.00 H new ATOM 1169 N THR A 70 -5.534 -7.347 11.285 1.00 0.00 N ATOM 1170 CA THR A 70 -6.352 -8.536 11.412 1.00 0.00 C ATOM 1171 C THR A 70 -7.437 -8.403 12.476 1.00 0.00 C ATOM 1172 O THR A 70 -8.557 -8.861 12.264 1.00 0.00 O ATOM 1173 CB THR A 70 -5.532 -9.812 11.430 1.00 0.00 C ATOM 1174 OG1 THR A 70 -4.222 -9.675 11.924 1.00 0.00 O ATOM 1175 CG2 THR A 70 -5.403 -10.319 9.995 1.00 0.00 C ATOM 0 H THR A 70 -4.596 -7.485 11.662 1.00 0.00 H new ATOM 0 HA THR A 70 -6.933 -8.634 10.495 1.00 0.00 H new ATOM 0 HB THR A 70 -6.062 -10.489 12.100 1.00 0.00 H new ATOM 0 HG1 THR A 70 -3.681 -9.170 11.281 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.816 -11.237 9.985 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.395 -10.518 9.589 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.906 -9.564 9.386 1.00 0.00 H new ATOM 1183 N LYS A 71 -7.133 -7.658 13.591 1.00 0.00 N ATOM 1184 CA LYS A 71 -8.088 -7.185 14.607 1.00 0.00 C ATOM 1185 C LYS A 71 -9.157 -6.205 14.061 1.00 0.00 C ATOM 1186 O LYS A 71 -10.324 -6.291 14.425 1.00 0.00 O ATOM 1187 CB LYS A 71 -7.433 -6.420 15.800 1.00 0.00 C ATOM 1188 CG LYS A 71 -6.408 -7.168 16.665 1.00 0.00 C ATOM 1189 CD LYS A 71 -6.603 -8.683 16.799 1.00 0.00 C ATOM 1190 CE LYS A 71 -5.837 -9.276 17.987 1.00 0.00 C ATOM 1191 NZ LYS A 71 -4.482 -8.722 18.145 1.00 0.00 N ATOM 0 H LYS A 71 -6.176 -7.370 13.797 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.532 -8.125 14.934 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.945 -5.532 15.399 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.234 -6.076 16.455 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.416 -6.987 16.252 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.422 -6.732 17.664 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.665 -8.900 16.912 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.275 -9.170 15.881 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.403 -9.097 18.901 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.767 -10.357 17.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.810 -9.495 18.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.209 -8.220 17.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.469 -8.059 18.946 1.00 0.00 H new ATOM 1205 N TRP A 72 -8.742 -5.250 13.166 1.00 0.00 N ATOM 1206 CA TRP A 72 -9.579 -4.224 12.521 1.00 0.00 C ATOM 1207 C TRP A 72 -10.427 -4.781 11.389 1.00 0.00 C ATOM 1208 O TRP A 72 -11.616 -4.527 11.337 1.00 0.00 O ATOM 1209 CB TRP A 72 -8.777 -2.976 12.005 1.00 0.00 C ATOM 1210 CG TRP A 72 -9.564 -1.872 11.246 1.00 0.00 C ATOM 1211 CD1 TRP A 72 -10.251 -0.786 11.714 1.00 0.00 C ATOM 1212 CD2 TRP A 72 -9.810 -1.916 9.823 1.00 0.00 C ATOM 1213 NE1 TRP A 72 -10.870 -0.126 10.667 1.00 0.00 N ATOM 1214 CE2 TRP A 72 -10.602 -0.815 9.495 1.00 0.00 C ATOM 1215 CE3 TRP A 72 -9.422 -2.808 8.863 1.00 0.00 C ATOM 1216 CZ2 TRP A 72 -10.970 -0.573 8.191 1.00 0.00 C ATOM 1217 CZ3 TRP A 72 -9.801 -2.574 7.566 1.00 0.00 C ATOM 1218 CH2 TRP A 72 -10.540 -1.463 7.216 1.00 0.00 C ATOM 0 H TRP A 72 -7.767 -5.187 12.873 1.00 0.00 H new ATOM 0 HA TRP A 72 -10.236 -3.885 13.322 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -8.292 -2.511 12.863 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -7.985 -3.335 11.347 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -10.303 -0.487 12.750 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -11.429 0.724 10.745 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -8.832 -3.675 9.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -11.575 0.284 7.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -9.513 -3.278 6.799 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -10.785 -1.285 6.179 1.00 0.00 H new ATOM 1229 N LEU A 73 -9.862 -5.566 10.436 1.00 0.00 N ATOM 1230 CA LEU A 73 -10.555 -6.237 9.318 1.00 0.00 C ATOM 1231 C LEU A 73 -11.538 -7.321 9.716 1.00 0.00 C ATOM 1232 O LEU A 73 -12.617 -7.486 9.145 1.00 0.00 O ATOM 1233 CB LEU A 73 -9.679 -6.429 8.070 1.00 0.00 C ATOM 1234 CG LEU A 73 -9.551 -7.815 7.383 1.00 0.00 C ATOM 1235 CD1 LEU A 73 -9.379 -7.463 5.898 1.00 0.00 C ATOM 1236 CD2 LEU A 73 -8.365 -8.671 7.823 1.00 0.00 C ATOM 0 H LEU A 73 -8.860 -5.754 10.431 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.281 -5.521 8.933 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.043 -5.732 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.671 -6.112 8.337 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.420 -8.421 7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.279 -8.379 5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.251 -6.907 5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.485 -6.852 5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.376 -9.615 7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.436 -8.141 7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.436 -8.868 8.893 1.00 0.00 H new ATOM 1248 N GLY A 74 -11.153 -8.016 10.829 1.00 0.00 N ATOM 1249 CA GLY A 74 -11.964 -8.878 11.683 1.00 0.00 C ATOM 1250 C GLY A 74 -13.092 -8.182 12.410 1.00 0.00 C ATOM 1251 O GLY A 74 -14.121 -8.787 12.686 1.00 0.00 O ATOM 0 H GLY A 74 -10.189 -7.970 11.160 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.384 -9.677 11.072 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.313 -9.349 12.420 1.00 0.00 H new ATOM 1255 N ARG A 75 -12.930 -6.863 12.699 1.00 0.00 N ATOM 1256 CA ARG A 75 -13.915 -5.994 13.350 1.00 0.00 C ATOM 1257 C ARG A 75 -15.038 -5.550 12.430 1.00 0.00 C ATOM 1258 O ARG A 75 -16.176 -5.393 12.859 1.00 0.00 O ATOM 1259 CB ARG A 75 -13.263 -4.680 13.857 1.00 0.00 C ATOM 1260 CG ARG A 75 -13.999 -3.884 14.939 1.00 0.00 C ATOM 1261 CD ARG A 75 -13.366 -2.491 15.066 1.00 0.00 C ATOM 1262 NE ARG A 75 -13.965 -1.749 16.231 1.00 0.00 N ATOM 1263 CZ ARG A 75 -13.474 -1.807 17.509 1.00 0.00 C ATOM 1264 NH1 ARG A 75 -12.378 -2.560 17.811 1.00 0.00 N ATOM 1265 NH2 ARG A 75 -14.095 -1.095 18.495 1.00 0.00 N ATOM 0 H ARG A 75 -12.069 -6.367 12.470 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.310 -6.606 14.161 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.272 -4.924 14.238 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.121 -4.024 12.998 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.055 -3.794 14.685 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.944 -4.409 15.893 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.288 -2.585 15.201 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.524 -1.927 14.147 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.786 -1.168 16.059 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.908 -3.093 17.079 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.028 -2.590 18.769 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.914 -0.528 18.276 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.739 -1.130 19.450 1.00 0.00 H new ATOM 1279 N GLU A 76 -14.717 -5.292 11.131 1.00 0.00 N ATOM 1280 CA GLU A 76 -15.633 -4.743 10.138 1.00 0.00 C ATOM 1281 C GLU A 76 -16.723 -5.687 9.619 1.00 0.00 C ATOM 1282 O GLU A 76 -17.670 -5.258 8.963 1.00 0.00 O ATOM 1283 CB GLU A 76 -14.852 -4.198 8.910 1.00 0.00 C ATOM 1284 CG GLU A 76 -13.844 -3.083 9.238 1.00 0.00 C ATOM 1285 CD GLU A 76 -14.534 -1.858 9.831 1.00 0.00 C ATOM 1286 OE1 GLU A 76 -15.370 -1.242 9.116 1.00 0.00 O ATOM 1287 OE2 GLU A 76 -14.232 -1.518 11.007 1.00 0.00 O ATOM 0 H GLU A 76 -13.786 -5.471 10.755 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.148 -3.955 10.688 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.320 -5.024 8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.567 -3.820 8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.101 -3.459 9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.309 -2.797 8.332 1.00 0.00 H new ATOM 1294 N GLY A 77 -16.595 -7.010 9.894 1.00 0.00 N ATOM 1295 CA GLY A 77 -17.557 -8.038 9.498 1.00 0.00 C ATOM 1296 C GLY A 77 -17.275 -8.649 8.153 1.00 0.00 C ATOM 1297 O GLY A 77 -18.135 -9.280 7.560 1.00 0.00 O ATOM 0 H GLY A 77 -15.799 -7.387 10.409 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.562 -8.826 10.251 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -18.556 -7.602 9.486 1.00 0.00 H new ATOM 1301 N LEU A 78 -16.033 -8.487 7.627 1.00 0.00 N ATOM 1302 CA LEU A 78 -15.592 -8.999 6.325 1.00 0.00 C ATOM 1303 C LEU A 78 -14.685 -10.167 6.473 1.00 0.00 C ATOM 1304 O LEU A 78 -14.599 -10.933 5.530 1.00 0.00 O ATOM 1305 CB LEU A 78 -14.784 -8.026 5.414 1.00 0.00 C ATOM 1306 CG LEU A 78 -15.235 -6.567 5.496 1.00 0.00 C ATOM 1307 CD1 LEU A 78 -13.994 -5.672 5.660 1.00 0.00 C ATOM 1308 CD2 LEU A 78 -16.146 -6.236 4.297 1.00 0.00 C ATOM 0 H LEU A 78 -15.298 -7.980 8.120 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.553 -9.216 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.730 -8.084 5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.866 -8.362 4.380 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.853 -6.376 6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.303 -4.628 5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.465 -5.947 6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.333 -5.806 4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.465 -5.196 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.597 -6.392 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.021 -6.886 4.315 1.00 0.00 H new ATOM 1320 N CYS A 79 -13.943 -10.374 7.582 1.00 0.00 N ATOM 1321 CA CYS A 79 -13.049 -11.532 7.675 1.00 0.00 C ATOM 1322 C CYS A 79 -13.069 -12.158 9.064 1.00 0.00 C ATOM 1323 O CYS A 79 -13.062 -11.449 10.060 1.00 0.00 O ATOM 1324 CB CYS A 79 -11.580 -11.278 7.212 1.00 0.00 C ATOM 1325 SG CYS A 79 -11.363 -10.124 5.827 1.00 0.00 S ATOM 0 H CYS A 79 -13.948 -9.768 8.402 1.00 0.00 H new ATOM 0 HA CYS A 79 -13.464 -12.238 6.956 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -11.013 -10.902 8.063 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -11.139 -12.235 6.933 1.00 0.00 H new ATOM 0 HG CYS A 79 -10.303 -10.453 5.150 1.00 0.00 H new ATOM 1331 N LYS A 80 -13.048 -13.510 9.184 1.00 0.00 N ATOM 1332 CA LYS A 80 -12.928 -14.245 10.444 1.00 0.00 C ATOM 1333 C LYS A 80 -11.480 -14.677 10.649 1.00 0.00 C ATOM 1334 O LYS A 80 -10.939 -15.472 9.897 1.00 0.00 O ATOM 1335 CB LYS A 80 -13.768 -15.559 10.510 1.00 0.00 C ATOM 1336 CG LYS A 80 -15.253 -15.424 10.179 1.00 0.00 C ATOM 1337 CD LYS A 80 -16.048 -16.680 10.582 1.00 0.00 C ATOM 1338 CE LYS A 80 -17.540 -16.560 10.256 1.00 0.00 C ATOM 1339 NZ LYS A 80 -18.282 -17.765 10.691 1.00 0.00 N ATOM 0 H LYS A 80 -13.117 -14.127 8.374 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.294 -13.554 11.203 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.328 -16.282 9.824 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.676 -15.975 11.513 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.662 -14.555 10.694 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.372 -15.247 9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.636 -17.548 10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.926 -16.856 11.651 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.952 -15.679 10.747 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.670 -16.417 9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.289 -17.655 10.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.902 -18.601 10.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.176 -17.886 11.719 1.00 0.00 H new ATOM 1353 N VAL A 81 -10.774 -14.181 11.676 1.00 0.00 N ATOM 1354 CA VAL A 81 -9.377 -14.455 11.902 1.00 0.00 C ATOM 1355 C VAL A 81 -9.120 -15.521 12.951 1.00 0.00 C ATOM 1356 O VAL A 81 -9.849 -15.688 13.929 1.00 0.00 O ATOM 1357 CB VAL A 81 -8.673 -13.177 12.335 1.00 0.00 C ATOM 1358 CG1 VAL A 81 -9.607 -12.232 13.117 1.00 0.00 C ATOM 1359 CG2 VAL A 81 -8.073 -12.449 11.129 1.00 0.00 C ATOM 0 H VAL A 81 -11.183 -13.566 12.380 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.988 -14.833 10.957 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.868 -13.473 13.007 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.059 -11.335 13.404 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.453 -11.955 12.489 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.970 -12.738 14.012 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.575 -11.539 11.464 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.349 -13.098 10.636 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.867 -12.191 10.428 1.00 0.00 H new ATOM 1369 N ASP A 82 -7.963 -16.200 12.752 1.00 0.00 N ATOM 1370 CA ASP A 82 -7.389 -17.188 13.678 1.00 0.00 C ATOM 1371 C ASP A 82 -5.863 -17.171 13.608 1.00 0.00 C ATOM 1372 O ASP A 82 -5.283 -16.795 12.591 1.00 0.00 O ATOM 1373 CB ASP A 82 -7.862 -18.655 13.416 1.00 0.00 C ATOM 1374 CG ASP A 82 -9.359 -18.825 13.697 1.00 0.00 C ATOM 1375 OD1 ASP A 82 -10.119 -19.095 12.730 1.00 0.00 O ATOM 1376 OD2 ASP A 82 -9.754 -18.687 14.885 1.00 0.00 O ATOM 0 H ASP A 82 -7.393 -16.066 11.917 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.747 -16.889 14.663 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.653 -18.926 12.381 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.293 -19.339 14.046 1.00 0.00 H new ATOM 1381 N GLU A 83 -5.152 -17.584 14.701 1.00 0.00 N ATOM 1382 CA GLU A 83 -3.692 -17.572 14.787 1.00 0.00 C ATOM 1383 C GLU A 83 -3.103 -18.969 15.012 1.00 0.00 C ATOM 1384 O GLU A 83 -3.623 -19.805 15.750 1.00 0.00 O ATOM 1385 CB GLU A 83 -3.148 -16.568 15.834 1.00 0.00 C ATOM 1386 CG GLU A 83 -1.624 -16.333 15.710 1.00 0.00 C ATOM 1387 CD GLU A 83 -1.128 -15.237 16.652 1.00 0.00 C ATOM 1388 OE1 GLU A 83 0.087 -14.911 16.572 1.00 0.00 O ATOM 1389 OE2 GLU A 83 -1.940 -14.712 17.461 1.00 0.00 O ATOM 0 H GLU A 83 -5.600 -17.935 15.547 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.356 -17.225 13.810 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.667 -15.616 15.721 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.373 -16.937 16.835 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.097 -17.262 15.927 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.383 -16.062 14.682 1.00 0.00 H new ATOM 1396 N THR A 84 -1.969 -19.193 14.307 1.00 0.00 N ATOM 1397 CA THR A 84 -1.126 -20.376 14.213 1.00 0.00 C ATOM 1398 C THR A 84 0.269 -20.070 14.686 1.00 0.00 C ATOM 1399 O THR A 84 0.590 -18.915 14.953 1.00 0.00 O ATOM 1400 CB THR A 84 -0.958 -20.781 12.722 1.00 0.00 C ATOM 1401 OG1 THR A 84 -0.289 -19.820 11.908 1.00 0.00 O ATOM 1402 CG2 THR A 84 -2.313 -21.018 12.046 1.00 0.00 C ATOM 0 H THR A 84 -1.590 -18.447 13.724 1.00 0.00 H new ATOM 0 HA THR A 84 -1.597 -21.156 14.812 1.00 0.00 H new ATOM 0 HB THR A 84 -0.352 -21.685 12.783 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.830 -19.631 11.113 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.156 -21.299 11.005 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.842 -21.819 12.562 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.906 -20.104 12.089 1.00 0.00 H new ATOM 1410 N PRO A 85 1.175 -21.068 14.718 1.00 0.00 N ATOM 1411 CA PRO A 85 2.587 -20.811 14.861 1.00 0.00 C ATOM 1412 C PRO A 85 3.335 -20.190 13.657 1.00 0.00 C ATOM 1413 O PRO A 85 4.525 -19.917 13.811 1.00 0.00 O ATOM 1414 CB PRO A 85 3.160 -22.190 15.231 1.00 0.00 C ATOM 1415 CG PRO A 85 1.975 -23.091 15.580 1.00 0.00 C ATOM 1416 CD PRO A 85 0.888 -22.508 14.701 1.00 0.00 C ATOM 0 HA PRO A 85 2.731 -20.026 15.603 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.729 -22.606 14.399 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.844 -22.109 16.076 1.00 0.00 H new ATOM 0 HG2 PRO A 85 2.173 -24.138 15.349 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.719 -23.041 16.638 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.927 -22.914 13.690 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.106 -22.725 15.093 1.00 0.00 H new ATOM 1424 N LYS A 86 2.700 -19.979 12.470 1.00 0.00 N ATOM 1425 CA LYS A 86 3.369 -19.473 11.277 1.00 0.00 C ATOM 1426 C LYS A 86 2.861 -18.110 10.799 1.00 0.00 C ATOM 1427 O LYS A 86 3.388 -17.540 9.846 1.00 0.00 O ATOM 1428 CB LYS A 86 3.265 -20.494 10.117 1.00 0.00 C ATOM 1429 CG LYS A 86 3.803 -21.873 10.524 1.00 0.00 C ATOM 1430 CD LYS A 86 4.059 -22.780 9.318 1.00 0.00 C ATOM 1431 CE LYS A 86 4.688 -24.128 9.704 1.00 0.00 C ATOM 1432 NZ LYS A 86 3.757 -24.937 10.528 1.00 0.00 N ATOM 0 H LYS A 86 1.706 -20.161 12.332 1.00 0.00 H new ATOM 0 HA LYS A 86 4.409 -19.332 11.572 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.224 -20.587 9.806 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.823 -20.125 9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.730 -21.747 11.084 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.090 -22.355 11.193 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.117 -22.960 8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.716 -22.266 8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.954 -24.680 8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.612 -23.957 10.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.180 -25.868 10.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.577 -24.449 11.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.860 -25.062 10.017 1.00 0.00 H new ATOM 1446 N GLY A 87 1.792 -17.562 11.424 1.00 0.00 N ATOM 1447 CA GLY A 87 1.209 -16.294 11.018 1.00 0.00 C ATOM 1448 C GLY A 87 -0.230 -16.158 11.413 1.00 0.00 C ATOM 1449 O GLY A 87 -0.806 -17.010 12.098 1.00 0.00 O ATOM 0 H GLY A 87 1.323 -17.997 12.219 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.780 -15.479 11.462 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.294 -16.191 9.936 1.00 0.00 H new ATOM 1453 N TRP A 88 -0.840 -15.062 10.908 1.00 0.00 N ATOM 1454 CA TRP A 88 -2.220 -14.649 11.085 1.00 0.00 C ATOM 1455 C TRP A 88 -3.030 -14.981 9.830 1.00 0.00 C ATOM 1456 O TRP A 88 -2.860 -14.373 8.775 1.00 0.00 O ATOM 1457 CB TRP A 88 -2.196 -13.123 11.386 1.00 0.00 C ATOM 1458 CG TRP A 88 -2.236 -12.848 12.873 1.00 0.00 C ATOM 1459 CD1 TRP A 88 -1.270 -12.882 13.828 1.00 0.00 C ATOM 1460 CD2 TRP A 88 -3.466 -12.598 13.551 1.00 0.00 C ATOM 1461 NE1 TRP A 88 -1.825 -12.602 15.065 1.00 0.00 N ATOM 1462 CE2 TRP A 88 -3.186 -12.459 14.904 1.00 0.00 C ATOM 1463 CE3 TRP A 88 -4.717 -12.477 13.064 1.00 0.00 C ATOM 1464 CZ2 TRP A 88 -4.185 -12.205 15.802 1.00 0.00 C ATOM 1465 CZ3 TRP A 88 -5.708 -12.159 13.969 1.00 0.00 C ATOM 1466 CH2 TRP A 88 -5.456 -12.037 15.314 1.00 0.00 C ATOM 0 H TRP A 88 -0.326 -14.403 10.323 1.00 0.00 H new ATOM 0 HA TRP A 88 -2.701 -15.177 11.909 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -1.296 -12.681 10.958 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.047 -12.643 10.904 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -0.227 -13.095 13.649 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -1.315 -12.516 15.944 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.933 -12.622 12.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.980 -12.139 16.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.714 -12.001 13.609 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.265 -11.807 15.992 1.00 0.00 H new ATOM 1477 N TYR A 89 -3.947 -15.982 9.942 1.00 0.00 N ATOM 1478 CA TYR A 89 -4.771 -16.517 8.864 1.00 0.00 C ATOM 1479 C TYR A 89 -6.163 -15.976 9.056 1.00 0.00 C ATOM 1480 O TYR A 89 -6.716 -15.950 10.154 1.00 0.00 O ATOM 1481 CB TYR A 89 -4.805 -18.084 8.822 1.00 0.00 C ATOM 1482 CG TYR A 89 -3.414 -18.564 8.511 1.00 0.00 C ATOM 1483 CD1 TYR A 89 -3.060 -18.911 7.221 1.00 0.00 C ATOM 1484 CD2 TYR A 89 -2.434 -18.541 9.480 1.00 0.00 C ATOM 1485 CE1 TYR A 89 -1.738 -19.139 6.883 1.00 0.00 C ATOM 1486 CE2 TYR A 89 -1.113 -18.723 9.143 1.00 0.00 C ATOM 1487 CZ TYR A 89 -0.755 -19.025 7.852 1.00 0.00 C ATOM 1488 OH TYR A 89 0.613 -19.202 7.555 1.00 0.00 O ATOM 0 H TYR A 89 -4.126 -16.446 10.832 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.339 -16.207 7.912 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -5.143 -18.485 9.778 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.508 -18.431 8.064 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.826 -19.006 6.466 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.706 -18.379 10.513 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.474 -19.404 5.870 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.350 -18.627 9.901 1.00 0.00 H new ATOM 0 HH TYR A 89 1.143 -19.080 8.370 1.00 0.00 H new ATOM 1498 N ILE A 90 -6.728 -15.488 7.950 1.00 0.00 N ATOM 1499 CA ILE A 90 -7.993 -14.836 7.846 1.00 0.00 C ATOM 1500 C ILE A 90 -8.801 -15.706 6.917 1.00 0.00 C ATOM 1501 O ILE A 90 -8.323 -16.119 5.862 1.00 0.00 O ATOM 1502 CB ILE A 90 -7.792 -13.392 7.292 1.00 0.00 C ATOM 1503 CG1 ILE A 90 -7.654 -13.226 5.742 1.00 0.00 C ATOM 1504 CG2 ILE A 90 -6.516 -12.799 7.911 1.00 0.00 C ATOM 1505 CD1 ILE A 90 -7.400 -11.807 5.225 1.00 0.00 C ATOM 0 H ILE A 90 -6.260 -15.554 7.046 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.503 -14.721 8.802 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.717 -12.884 7.564 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.838 -13.864 5.402 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.566 -13.600 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.363 -11.789 7.532 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.618 -12.768 8.996 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.660 -13.419 7.645 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.324 -11.824 4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.225 -11.159 5.521 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.470 -11.427 5.648 1.00 0.00 H new ATOM 1517 N GLN A 91 -10.077 -15.976 7.227 1.00 0.00 N ATOM 1518 CA GLN A 91 -11.016 -16.598 6.329 1.00 0.00 C ATOM 1519 C GLN A 91 -12.057 -15.537 6.161 1.00 0.00 C ATOM 1520 O GLN A 91 -12.624 -15.045 7.124 1.00 0.00 O ATOM 1521 CB GLN A 91 -11.525 -18.006 6.708 1.00 0.00 C ATOM 1522 CG GLN A 91 -12.583 -18.020 7.813 1.00 0.00 C ATOM 1523 CD GLN A 91 -13.186 -19.384 8.133 1.00 0.00 C ATOM 1524 OE1 GLN A 91 -13.930 -19.509 9.104 1.00 0.00 O ATOM 1525 NE2 GLN A 91 -12.884 -20.415 7.310 1.00 0.00 N ATOM 0 H GLN A 91 -10.479 -15.755 8.138 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.550 -16.884 5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -11.940 -18.480 5.819 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.677 -18.612 7.026 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.137 -17.618 8.723 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -13.389 -17.345 7.527 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.262 -20.268 6.515 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.278 -21.339 7.485 1.00 0.00 H new ATOM 1534 N TYR A 92 -12.310 -15.115 4.926 1.00 0.00 N ATOM 1535 CA TYR A 92 -13.236 -14.084 4.533 1.00 0.00 C ATOM 1536 C TYR A 92 -14.710 -14.501 4.685 1.00 0.00 C ATOM 1537 O TYR A 92 -15.079 -15.666 4.577 1.00 0.00 O ATOM 1538 CB TYR A 92 -12.735 -13.507 3.184 1.00 0.00 C ATOM 1539 CG TYR A 92 -13.565 -12.423 2.520 1.00 0.00 C ATOM 1540 CD1 TYR A 92 -14.520 -12.561 1.516 1.00 0.00 C ATOM 1541 CD2 TYR A 92 -13.326 -11.162 2.979 1.00 0.00 C ATOM 1542 CE1 TYR A 92 -15.214 -11.465 1.041 1.00 0.00 C ATOM 1543 CE2 TYR A 92 -13.986 -10.065 2.505 1.00 0.00 C ATOM 1544 CZ TYR A 92 -14.897 -10.199 1.496 1.00 0.00 C ATOM 1545 OH TYR A 92 -15.444 -9.028 0.942 1.00 0.00 O ATOM 0 H TYR A 92 -11.832 -15.522 4.122 1.00 0.00 H new ATOM 0 HA TYR A 92 -13.248 -13.238 5.220 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -11.732 -13.110 3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -12.642 -14.335 2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -14.721 -13.538 1.103 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.583 -11.025 3.751 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -16.003 -11.597 0.315 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -13.788 -9.091 2.928 1.00 0.00 H new ATOM 0 HH TYR A 92 -15.260 -8.269 1.534 1.00 0.00 H new ATOM 1555 N ILE A 93 -15.568 -13.516 4.995 1.00 0.00 N ATOM 1556 CA ILE A 93 -17.010 -13.518 5.125 1.00 0.00 C ATOM 1557 C ILE A 93 -17.516 -13.269 3.732 1.00 0.00 C ATOM 1558 O ILE A 93 -17.243 -12.211 3.167 1.00 0.00 O ATOM 1559 CB ILE A 93 -17.439 -12.318 5.976 1.00 0.00 C ATOM 1560 CG1 ILE A 93 -16.933 -12.473 7.420 1.00 0.00 C ATOM 1561 CG2 ILE A 93 -18.953 -12.000 5.917 1.00 0.00 C ATOM 1562 CD1 ILE A 93 -17.432 -13.696 8.146 1.00 0.00 C ATOM 0 H ILE A 93 -15.204 -12.582 5.182 1.00 0.00 H new ATOM 0 HA ILE A 93 -17.378 -14.441 5.573 1.00 0.00 H new ATOM 0 HB ILE A 93 -16.964 -11.444 5.531 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -15.843 -12.498 7.406 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -17.224 -11.589 7.987 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -19.168 -11.137 6.548 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -19.238 -11.778 4.889 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -19.520 -12.860 6.273 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -17.019 -13.714 9.155 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -18.520 -13.668 8.200 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -17.118 -14.591 7.609 1.00 0.00 H new ATOM 1574 N ASP A 94 -18.260 -14.218 3.101 1.00 0.00 N ATOM 1575 CA ASP A 94 -18.761 -14.017 1.745 1.00 0.00 C ATOM 1576 C ASP A 94 -19.994 -13.146 1.730 1.00 0.00 C ATOM 1577 O ASP A 94 -21.121 -13.593 1.926 1.00 0.00 O ATOM 1578 CB ASP A 94 -18.928 -15.240 0.796 1.00 0.00 C ATOM 1579 CG ASP A 94 -19.815 -16.401 1.268 1.00 0.00 C ATOM 1580 OD1 ASP A 94 -19.989 -17.349 0.455 1.00 0.00 O ATOM 1581 OD2 ASP A 94 -20.307 -16.381 2.427 1.00 0.00 O ATOM 0 H ASP A 94 -18.515 -15.114 3.517 1.00 0.00 H new ATOM 0 HA ASP A 94 -17.910 -13.509 1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -19.329 -14.877 -0.150 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -17.936 -15.640 0.589 1.00 0.00 H new ATOM 1586 N ARG A 95 -19.716 -11.838 1.490 1.00 0.00 N ATOM 1587 CA ARG A 95 -20.518 -10.632 1.360 1.00 0.00 C ATOM 1588 C ARG A 95 -21.867 -10.846 0.684 1.00 0.00 C ATOM 1589 O ARG A 95 -22.817 -11.288 1.320 1.00 0.00 O ATOM 1590 CB ARG A 95 -19.556 -9.586 0.780 1.00 0.00 C ATOM 1591 CG ARG A 95 -18.448 -9.200 1.804 1.00 0.00 C ATOM 1592 CD ARG A 95 -18.966 -8.511 3.063 1.00 0.00 C ATOM 1593 NE ARG A 95 -19.651 -7.217 2.727 1.00 0.00 N ATOM 1594 CZ ARG A 95 -20.124 -6.362 3.687 1.00 0.00 C ATOM 1595 NH1 ARG A 95 -19.973 -6.648 5.013 1.00 0.00 N ATOM 1596 NH2 ARG A 95 -20.750 -5.211 3.310 1.00 0.00 N ATOM 0 H ARG A 95 -18.736 -11.585 1.364 1.00 0.00 H new ATOM 0 HA ARG A 95 -20.899 -10.258 2.310 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -19.095 -9.978 -0.127 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -20.115 -8.695 0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -17.908 -10.101 2.094 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -17.730 -8.542 1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -19.661 -9.170 3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -18.137 -8.321 3.745 1.00 0.00 H new ATOM 0 HE ARG A 95 -19.769 -6.965 1.746 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -19.503 -7.507 5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -20.330 -6.003 5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -20.863 -4.993 2.320 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -21.105 -4.568 4.018 1.00 0.00 H new ATOM 1610 N ASP A 96 -21.973 -10.664 -0.638 1.00 0.00 N ATOM 1611 CA ASP A 96 -23.009 -11.298 -1.425 1.00 0.00 C ATOM 1612 C ASP A 96 -22.294 -12.466 -2.118 1.00 0.00 C ATOM 1613 O ASP A 96 -21.411 -12.130 -2.904 1.00 0.00 O ATOM 1614 CB ASP A 96 -23.608 -10.368 -2.495 1.00 0.00 C ATOM 1615 CG ASP A 96 -24.226 -9.131 -1.843 1.00 0.00 C ATOM 1616 OD1 ASP A 96 -25.206 -9.297 -1.070 1.00 0.00 O ATOM 1617 OD2 ASP A 96 -23.724 -8.005 -2.108 1.00 0.00 O ATOM 0 H ASP A 96 -21.341 -10.074 -1.179 1.00 0.00 H new ATOM 0 HA ASP A 96 -23.844 -11.594 -0.790 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -22.832 -10.066 -3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -24.367 -10.903 -3.067 1.00 0.00 H new ATOM 1622 N PRO A 97 -22.514 -13.796 -1.957 1.00 0.00 N ATOM 1623 CA PRO A 97 -21.822 -14.904 -2.655 1.00 0.00 C ATOM 1624 C PRO A 97 -21.916 -14.890 -4.188 1.00 0.00 C ATOM 1625 O PRO A 97 -21.017 -15.401 -4.852 1.00 0.00 O ATOM 1626 CB PRO A 97 -22.425 -16.184 -2.074 1.00 0.00 C ATOM 1627 CG PRO A 97 -22.930 -15.743 -0.698 1.00 0.00 C ATOM 1628 CD PRO A 97 -23.360 -14.288 -0.895 1.00 0.00 C ATOM 0 HA PRO A 97 -20.749 -14.811 -2.484 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -23.235 -16.566 -2.696 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -21.683 -16.978 -1.994 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -23.763 -16.361 -0.364 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -22.148 -15.827 0.057 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -24.414 -14.220 -1.164 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -23.226 -13.708 0.018 1.00 0.00 H new ATOM 1636 N GLU A 98 -22.944 -14.189 -4.750 1.00 0.00 N ATOM 1637 CA GLU A 98 -23.117 -13.818 -6.150 1.00 0.00 C ATOM 1638 C GLU A 98 -22.065 -12.800 -6.584 1.00 0.00 C ATOM 1639 O GLU A 98 -21.754 -12.689 -7.752 1.00 0.00 O ATOM 1640 CB GLU A 98 -24.534 -13.293 -6.455 1.00 0.00 C ATOM 1641 CG GLU A 98 -25.614 -14.365 -6.233 1.00 0.00 C ATOM 1642 CD GLU A 98 -26.983 -13.807 -6.614 1.00 0.00 C ATOM 1643 OE1 GLU A 98 -27.433 -12.837 -5.947 1.00 0.00 O ATOM 1644 OE2 GLU A 98 -27.596 -14.342 -7.578 1.00 0.00 O ATOM 0 H GLU A 98 -23.719 -13.854 -4.178 1.00 0.00 H new ATOM 0 HA GLU A 98 -22.982 -14.731 -6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -24.744 -12.432 -5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -24.576 -12.946 -7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -25.391 -15.248 -6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -25.617 -14.680 -5.190 1.00 0.00 H new ATOM 1651 N THR A 99 -21.422 -12.070 -5.622 1.00 0.00 N ATOM 1652 CA THR A 99 -20.222 -11.247 -5.828 1.00 0.00 C ATOM 1653 C THR A 99 -18.997 -12.161 -5.925 1.00 0.00 C ATOM 1654 O THR A 99 -18.319 -12.102 -6.933 1.00 0.00 O ATOM 1655 CB THR A 99 -20.070 -10.037 -4.860 1.00 0.00 C ATOM 1656 OG1 THR A 99 -19.776 -8.837 -5.557 1.00 0.00 O ATOM 1657 CG2 THR A 99 -18.994 -10.158 -3.766 1.00 0.00 C ATOM 0 H THR A 99 -21.748 -12.048 -4.656 1.00 0.00 H new ATOM 0 HA THR A 99 -20.332 -10.729 -6.781 1.00 0.00 H new ATOM 0 HB THR A 99 -21.046 -10.025 -4.375 1.00 0.00 H new ATOM 0 HG1 THR A 99 -18.814 -8.655 -5.505 1.00 0.00 H new ATOM 0 HG21 THR A 99 -18.988 -9.252 -3.159 1.00 0.00 H new ATOM 0 HG22 THR A 99 -19.214 -11.017 -3.133 1.00 0.00 H new ATOM 0 HG23 THR A 99 -18.017 -10.290 -4.230 1.00 0.00 H new ATOM 1665 N ILE A 100 -18.710 -13.101 -4.953 1.00 0.00 N ATOM 1666 CA ILE A 100 -17.614 -14.090 -4.905 1.00 0.00 C ATOM 1667 C ILE A 100 -17.617 -15.024 -6.106 1.00 0.00 C ATOM 1668 O ILE A 100 -16.636 -15.111 -6.825 1.00 0.00 O ATOM 1669 CB ILE A 100 -17.844 -14.927 -3.627 1.00 0.00 C ATOM 1670 CG1 ILE A 100 -17.248 -14.231 -2.388 1.00 0.00 C ATOM 1671 CG2 ILE A 100 -17.285 -16.378 -3.630 1.00 0.00 C ATOM 1672 CD1 ILE A 100 -17.863 -12.907 -1.963 1.00 0.00 C ATOM 0 H ILE A 100 -19.300 -13.175 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 100 -16.657 -13.569 -4.911 1.00 0.00 H new ATOM 0 HB ILE A 100 -18.931 -15.000 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -17.321 -14.921 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -16.187 -14.065 -2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -17.512 -16.857 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.746 -16.944 -4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -16.205 -16.352 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -17.346 -12.533 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -17.767 -12.184 -2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -18.918 -13.054 -1.731 1.00 0.00 H new ATOM 1684 N ARG A 101 -18.758 -15.674 -6.454 1.00 0.00 N ATOM 1685 CA ARG A 101 -18.849 -16.594 -7.591 1.00 0.00 C ATOM 1686 C ARG A 101 -18.829 -15.893 -8.946 1.00 0.00 C ATOM 1687 O ARG A 101 -18.421 -16.482 -9.939 1.00 0.00 O ATOM 1688 CB ARG A 101 -20.052 -17.546 -7.451 1.00 0.00 C ATOM 1689 CG ARG A 101 -20.013 -18.391 -6.159 1.00 0.00 C ATOM 1690 CD ARG A 101 -18.763 -19.278 -6.007 1.00 0.00 C ATOM 1691 NE ARG A 101 -18.855 -20.053 -4.718 1.00 0.00 N ATOM 1692 CZ ARG A 101 -19.449 -21.283 -4.602 1.00 0.00 C ATOM 1693 NH1 ARG A 101 -20.007 -21.904 -5.682 1.00 0.00 N ATOM 1694 NH2 ARG A 101 -19.484 -21.896 -3.382 1.00 0.00 N ATOM 0 H ARG A 101 -19.636 -15.567 -5.946 1.00 0.00 H new ATOM 0 HA ARG A 101 -17.942 -17.197 -7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -20.973 -16.963 -7.468 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -20.081 -18.213 -8.313 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -20.073 -17.721 -5.301 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -20.898 -19.026 -6.130 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -18.684 -19.963 -6.851 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -17.864 -18.662 -6.011 1.00 0.00 H new ATOM 0 HE ARG A 101 -18.450 -19.636 -3.880 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -19.987 -21.453 -6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -20.444 -22.819 -5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -19.071 -21.439 -2.569 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -19.923 -22.811 -3.284 1.00 0.00 H new ATOM 1708 N ARG A 102 -19.178 -14.570 -9.002 1.00 0.00 N ATOM 1709 CA ARG A 102 -19.043 -13.714 -10.196 1.00 0.00 C ATOM 1710 C ARG A 102 -17.606 -13.215 -10.292 1.00 0.00 C ATOM 1711 O ARG A 102 -17.040 -13.182 -11.387 1.00 0.00 O ATOM 1712 CB ARG A 102 -20.013 -12.503 -10.228 1.00 0.00 C ATOM 1713 CG ARG A 102 -21.462 -12.788 -10.698 1.00 0.00 C ATOM 1714 CD ARG A 102 -21.999 -14.217 -10.496 1.00 0.00 C ATOM 1715 NE ARG A 102 -23.473 -14.221 -10.808 1.00 0.00 N ATOM 1716 CZ ARG A 102 -24.355 -15.129 -10.284 1.00 0.00 C ATOM 1717 NH1 ARG A 102 -23.929 -16.124 -9.453 1.00 0.00 N ATOM 1718 NH2 ARG A 102 -25.681 -15.031 -10.595 1.00 0.00 N ATOM 0 H ARG A 102 -19.566 -14.074 -8.200 1.00 0.00 H new ATOM 0 HA ARG A 102 -19.310 -14.335 -11.051 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -20.057 -12.075 -9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -19.586 -11.742 -10.881 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -22.128 -12.100 -10.177 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -21.526 -12.550 -11.760 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -21.472 -14.915 -11.146 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -21.828 -14.545 -9.471 1.00 0.00 H new ATOM 0 HE ARG A 102 -23.834 -13.509 -11.444 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -22.940 -16.200 -9.213 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -24.599 -16.792 -9.072 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -26.006 -14.287 -11.212 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -26.346 -15.702 -10.210 1.00 0.00 H new ATOM 1732 N GLN A 103 -16.989 -12.897 -9.111 1.00 0.00 N ATOM 1733 CA GLN A 103 -15.592 -12.549 -8.867 1.00 0.00 C ATOM 1734 C GLN A 103 -14.620 -13.638 -9.255 1.00 0.00 C ATOM 1735 O GLN A 103 -13.644 -13.367 -9.939 1.00 0.00 O ATOM 1736 CB GLN A 103 -15.442 -11.775 -7.523 1.00 0.00 C ATOM 1737 CG GLN A 103 -16.040 -10.364 -7.781 1.00 0.00 C ATOM 1738 CD GLN A 103 -16.185 -9.361 -6.630 1.00 0.00 C ATOM 1739 OE1 GLN A 103 -17.295 -8.969 -6.247 1.00 0.00 O ATOM 1740 NE2 GLN A 103 -15.031 -8.840 -6.147 1.00 0.00 N ATOM 0 H GLN A 103 -17.524 -12.883 -8.242 1.00 0.00 H new ATOM 0 HA GLN A 103 -15.241 -11.800 -9.577 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -15.972 -12.283 -6.717 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.396 -11.708 -7.224 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -15.427 -9.889 -8.547 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -17.032 -10.508 -8.210 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -14.134 -9.187 -6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -15.060 -8.101 -5.445 1.00 0.00 H new ATOM 1749 N LEU A 104 -14.851 -14.905 -8.888 1.00 0.00 N ATOM 1750 CA LEU A 104 -14.024 -16.006 -9.314 1.00 0.00 C ATOM 1751 C LEU A 104 -14.327 -16.571 -10.703 1.00 0.00 C ATOM 1752 O LEU A 104 -13.425 -16.814 -11.496 1.00 0.00 O ATOM 1753 CB LEU A 104 -13.871 -17.153 -8.285 1.00 0.00 C ATOM 1754 CG LEU A 104 -14.542 -17.172 -6.908 1.00 0.00 C ATOM 1755 CD1 LEU A 104 -14.372 -18.549 -6.231 1.00 0.00 C ATOM 1756 CD2 LEU A 104 -13.999 -16.085 -5.989 1.00 0.00 C ATOM 0 H LEU A 104 -15.625 -15.181 -8.284 1.00 0.00 H new ATOM 0 HA LEU A 104 -13.057 -15.509 -9.389 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.196 -18.061 -8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.801 -17.255 -8.102 1.00 0.00 H new ATOM 0 HG LEU A 104 -15.601 -16.978 -7.075 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -14.857 -18.537 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.828 -19.319 -6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.311 -18.765 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.504 -16.138 -5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -12.928 -16.231 -5.846 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.175 -15.107 -6.438 1.00 0.00 H new ATOM 1768 N GLU A 105 -15.617 -16.899 -10.994 1.00 0.00 N ATOM 1769 CA GLU A 105 -16.018 -17.614 -12.209 1.00 0.00 C ATOM 1770 C GLU A 105 -16.210 -16.795 -13.494 1.00 0.00 C ATOM 1771 O GLU A 105 -15.666 -17.156 -14.533 1.00 0.00 O ATOM 1772 CB GLU A 105 -17.263 -18.519 -11.952 1.00 0.00 C ATOM 1773 CG GLU A 105 -17.163 -19.400 -10.684 1.00 0.00 C ATOM 1774 CD GLU A 105 -16.020 -20.406 -10.814 1.00 0.00 C ATOM 1775 OE1 GLU A 105 -15.078 -20.345 -9.979 1.00 0.00 O ATOM 1776 OE2 GLU A 105 -16.077 -21.250 -11.748 1.00 0.00 O ATOM 0 H GLU A 105 -16.399 -16.668 -10.382 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.134 -18.215 -12.423 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -18.146 -17.886 -11.871 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -17.412 -19.165 -12.817 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -17.002 -18.770 -9.809 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -18.103 -19.929 -10.527 1.00 0.00 H new