USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=22 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 43 ASN : amide:sc= 0 X(o=-3.8,f=-3.6) USER MOD Set 1.2: A 47 ASN : amide:sc= -0.592 K(o=-3.8,f=-5.6) USER MOD Set 1.3: A 55 HIS : no HE2:sc= -0.738 K(o=-3.8,f=-6.7!) USER MOD Set 1.4: A 57 HIS : no HE2:sc= -1.96! C(o=-3.8!,f=-6.8!) USER MOD Set 1.5: A 59 ASN : amide:sc= -0.531 K(o=-3.8,f=-3.2) USER MOD Set 2.1: A 16 MET CE :methyl 137:sc= -2.44 (180deg=-4.67!) USER MOD Set 2.2: A 20 SER OG : rot -31:sc= 0.444 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 37 THR OG1 : rot -145:sc= 0.293 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -1.14 K(o=-1.1,f=-3.2!) USER MOD Single : A 42 ASN : amide:sc= -1.69 X(o=-1.7,f=-1.3) USER MOD Single : A 46 TYR OH : rot -119:sc= 1.55 USER MOD Single : A 49 TYR OH : rot -15:sc= 0.0965 USER MOD Single : A 51 SER OG : rot 84:sc= 1.12 USER MOD Single : A 52 HIS : no HE2:sc= -0.0541 X(o=-0.054,f=-0.15) USER MOD Single : A 58 MET CE :methyl 156:sc= -2.09 (180deg=-3.02!) USER MOD Single : A 61 THR OG1 : rot -175:sc= 2.02 USER MOD Single : A 62 GLN : amide:sc= -0.508 K(o=-0.51,f=-1.5) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -43:sc= 1.43 USER MOD Single : A 70 THR OG1 : rot 163:sc= 0.0735 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot -120:sc= -1.75 USER MOD Single : A 80 LYS NZ :NH3+ 164:sc= -0.0172 (180deg=-0.226) USER MOD Single : A 84 THR OG1 : rot -121:sc= 1.68 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc=-0.00778 X(o=-0.0078,f=0) USER MOD Single : A 92 TYR OH : rot -40:sc= -0.246 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.741 K(o=-0.74,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 241 N MET A 16 -4.689 6.303 6.875 1.00 0.00 N ATOM 242 CA MET A 16 -5.620 5.155 6.894 1.00 0.00 C ATOM 243 C MET A 16 -6.848 5.344 6.009 1.00 0.00 C ATOM 244 O MET A 16 -7.322 4.410 5.380 1.00 0.00 O ATOM 245 CB MET A 16 -6.025 4.717 8.332 1.00 0.00 C ATOM 246 CG MET A 16 -6.685 3.315 8.489 1.00 0.00 C ATOM 247 SD MET A 16 -8.503 3.223 8.365 1.00 0.00 S ATOM 248 CE MET A 16 -8.754 1.435 8.648 1.00 0.00 C ATOM 0 HA MET A 16 -5.046 4.338 6.458 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.132 4.742 8.957 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.714 5.462 8.731 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.262 2.657 7.730 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.393 2.912 9.459 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.599 1.288 9.321 1.00 0.00 H new ATOM 0 HE2 MET A 16 -8.957 0.941 7.698 1.00 0.00 H new ATOM 0 HE3 MET A 16 -7.856 1.008 9.095 1.00 0.00 H new ATOM 258 N ASP A 17 -7.356 6.598 5.832 1.00 0.00 N ATOM 259 CA ASP A 17 -8.435 6.954 4.899 1.00 0.00 C ATOM 260 C ASP A 17 -8.067 6.760 3.411 1.00 0.00 C ATOM 261 O ASP A 17 -8.797 6.135 2.649 1.00 0.00 O ATOM 262 CB ASP A 17 -9.004 8.387 5.177 1.00 0.00 C ATOM 263 CG ASP A 17 -7.962 9.517 5.093 1.00 0.00 C ATOM 264 OD1 ASP A 17 -7.062 9.569 5.972 1.00 0.00 O ATOM 265 OD2 ASP A 17 -8.068 10.344 4.149 1.00 0.00 O ATOM 0 H ASP A 17 -7.008 7.402 6.355 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.232 6.238 5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.801 8.592 4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.454 8.399 6.170 1.00 0.00 H new ATOM 270 N TYR A 18 -6.868 7.263 2.999 1.00 0.00 N ATOM 271 CA TYR A 18 -6.263 7.134 1.675 1.00 0.00 C ATOM 272 C TYR A 18 -5.770 5.715 1.329 1.00 0.00 C ATOM 273 O TYR A 18 -6.139 5.160 0.291 1.00 0.00 O ATOM 274 CB TYR A 18 -5.102 8.185 1.583 1.00 0.00 C ATOM 275 CG TYR A 18 -4.398 8.279 0.238 1.00 0.00 C ATOM 276 CD1 TYR A 18 -3.034 8.051 0.158 1.00 0.00 C ATOM 277 CD2 TYR A 18 -5.085 8.579 -0.928 1.00 0.00 C ATOM 278 CE1 TYR A 18 -2.370 8.137 -1.047 1.00 0.00 C ATOM 279 CE2 TYR A 18 -4.419 8.663 -2.141 1.00 0.00 C ATOM 280 CZ TYR A 18 -3.056 8.454 -2.199 1.00 0.00 C ATOM 281 OH TYR A 18 -2.344 8.570 -3.414 1.00 0.00 O ATOM 0 H TYR A 18 -6.276 7.799 3.634 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.035 7.328 0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.506 9.167 1.830 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.360 7.946 2.344 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.483 7.802 1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.151 8.749 -0.891 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.306 7.955 -1.088 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.968 8.892 -3.042 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.965 8.797 -4.137 1.00 0.00 H new ATOM 291 N PHE A 19 -4.931 5.102 2.212 1.00 0.00 N ATOM 292 CA PHE A 19 -4.321 3.781 2.079 1.00 0.00 C ATOM 293 C PHE A 19 -5.269 2.608 2.300 1.00 0.00 C ATOM 294 O PHE A 19 -5.311 1.671 1.500 1.00 0.00 O ATOM 295 CB PHE A 19 -3.045 3.688 2.958 1.00 0.00 C ATOM 296 CG PHE A 19 -1.898 4.579 2.476 1.00 0.00 C ATOM 297 CD1 PHE A 19 -0.977 5.050 3.399 1.00 0.00 C ATOM 298 CD2 PHE A 19 -1.653 4.867 1.136 1.00 0.00 C ATOM 299 CE1 PHE A 19 0.172 5.715 3.010 1.00 0.00 C ATOM 300 CE2 PHE A 19 -0.509 5.533 0.741 1.00 0.00 C ATOM 301 CZ PHE A 19 0.416 5.946 1.675 1.00 0.00 C ATOM 0 H PHE A 19 -4.657 5.559 3.082 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.037 3.683 1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.300 3.961 3.982 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.704 2.653 2.980 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.162 4.893 4.451 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.372 4.563 0.390 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.878 6.053 3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.339 5.731 -0.307 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.322 6.445 1.363 1.00 0.00 H new ATOM 311 N SER A 20 -6.127 2.677 3.370 1.00 0.00 N ATOM 312 CA SER A 20 -7.175 1.685 3.670 1.00 0.00 C ATOM 313 C SER A 20 -8.300 1.623 2.663 1.00 0.00 C ATOM 314 O SER A 20 -8.886 0.557 2.540 1.00 0.00 O ATOM 315 CB SER A 20 -7.762 1.580 5.108 1.00 0.00 C ATOM 316 OG SER A 20 -8.457 0.344 5.305 1.00 0.00 O ATOM 0 H SER A 20 -6.096 3.440 4.047 1.00 0.00 H new ATOM 0 HA SER A 20 -6.536 0.806 3.586 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.957 1.665 5.837 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.442 2.413 5.286 1.00 0.00 H new ATOM 0 HG SER A 20 -8.857 0.055 4.458 1.00 0.00 H new ATOM 322 N GLU A 21 -8.675 2.717 1.938 1.00 0.00 N ATOM 323 CA GLU A 21 -9.701 2.673 0.884 1.00 0.00 C ATOM 324 C GLU A 21 -9.237 1.895 -0.353 1.00 0.00 C ATOM 325 O GLU A 21 -9.911 0.976 -0.804 1.00 0.00 O ATOM 326 CB GLU A 21 -10.177 4.102 0.527 1.00 0.00 C ATOM 327 CG GLU A 21 -11.382 4.232 -0.435 1.00 0.00 C ATOM 328 CD GLU A 21 -10.959 4.214 -1.907 1.00 0.00 C ATOM 329 OE1 GLU A 21 -10.131 5.081 -2.297 1.00 0.00 O ATOM 330 OE2 GLU A 21 -11.460 3.336 -2.659 1.00 0.00 O ATOM 0 H GLU A 21 -8.270 3.643 2.076 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.555 2.123 1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.430 4.614 1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.336 4.637 0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.080 3.416 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.913 5.160 -0.224 1.00 0.00 H new ATOM 337 N GLU A 22 -8.007 2.179 -0.880 1.00 0.00 N ATOM 338 CA GLU A 22 -7.356 1.465 -1.986 1.00 0.00 C ATOM 339 C GLU A 22 -7.018 0.017 -1.622 1.00 0.00 C ATOM 340 O GLU A 22 -7.379 -0.909 -2.360 1.00 0.00 O ATOM 341 CB GLU A 22 -6.095 2.258 -2.443 1.00 0.00 C ATOM 342 CG GLU A 22 -5.774 2.223 -3.954 1.00 0.00 C ATOM 343 CD GLU A 22 -4.968 1.004 -4.413 1.00 0.00 C ATOM 344 OE1 GLU A 22 -4.806 0.863 -5.655 1.00 0.00 O ATOM 345 OE2 GLU A 22 -4.493 0.215 -3.556 1.00 0.00 O ATOM 0 H GLU A 22 -7.434 2.943 -0.521 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.057 1.406 -2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.218 3.299 -2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.232 1.871 -1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.711 2.252 -4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.221 3.125 -4.214 1.00 0.00 H new ATOM 352 N PHE A 23 -6.422 -0.201 -0.396 1.00 0.00 N ATOM 353 CA PHE A 23 -6.165 -1.518 0.199 1.00 0.00 C ATOM 354 C PHE A 23 -7.434 -2.333 0.401 1.00 0.00 C ATOM 355 O PHE A 23 -7.511 -3.451 -0.066 1.00 0.00 O ATOM 356 CB PHE A 23 -5.384 -1.429 1.551 1.00 0.00 C ATOM 357 CG PHE A 23 -4.936 -2.751 2.161 1.00 0.00 C ATOM 358 CD1 PHE A 23 -4.423 -3.776 1.396 1.00 0.00 C ATOM 359 CD2 PHE A 23 -5.050 -2.968 3.519 1.00 0.00 C ATOM 360 CE1 PHE A 23 -4.040 -4.970 1.962 1.00 0.00 C ATOM 361 CE2 PHE A 23 -4.615 -4.139 4.101 1.00 0.00 C ATOM 362 CZ PHE A 23 -4.126 -5.161 3.321 1.00 0.00 C ATOM 0 H PHE A 23 -6.110 0.567 0.199 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.538 -2.033 -0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.502 -0.808 1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -6.014 -0.914 2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.319 -3.639 0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.490 -2.202 4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.668 -5.765 1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.658 -4.255 5.174 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.816 -6.094 3.767 1.00 0.00 H new ATOM 372 N ARG A 24 -8.502 -1.791 1.040 1.00 0.00 N ATOM 373 CA ARG A 24 -9.767 -2.492 1.247 1.00 0.00 C ATOM 374 C ARG A 24 -10.604 -2.748 0.007 1.00 0.00 C ATOM 375 O ARG A 24 -11.183 -3.822 -0.114 1.00 0.00 O ATOM 376 CB ARG A 24 -10.505 -1.974 2.522 1.00 0.00 C ATOM 377 CG ARG A 24 -11.544 -2.952 3.123 1.00 0.00 C ATOM 378 CD ARG A 24 -10.954 -3.904 4.182 1.00 0.00 C ATOM 379 NE ARG A 24 -9.779 -4.665 3.637 1.00 0.00 N ATOM 380 CZ ARG A 24 -8.462 -4.311 3.764 1.00 0.00 C ATOM 381 NH1 ARG A 24 -8.080 -3.231 4.501 1.00 0.00 N ATOM 382 NH2 ARG A 24 -7.525 -5.034 3.090 1.00 0.00 N ATOM 0 H ARG A 24 -8.495 -0.846 1.424 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.512 -3.527 1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.761 -1.745 3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.009 -1.039 2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.353 -2.377 3.574 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.982 -3.543 2.319 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.645 -3.332 5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.721 -4.604 4.513 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.980 -5.524 3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.782 -2.663 4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.092 -2.990 4.579 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.810 -5.820 2.506 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.538 -4.789 3.169 1.00 0.00 H new ATOM 396 N ASN A 25 -10.614 -1.847 -1.008 1.00 0.00 N ATOM 397 CA ASN A 25 -11.269 -2.075 -2.297 1.00 0.00 C ATOM 398 C ASN A 25 -10.568 -3.108 -3.196 1.00 0.00 C ATOM 399 O ASN A 25 -11.197 -4.059 -3.654 1.00 0.00 O ATOM 400 CB ASN A 25 -11.343 -0.717 -3.056 1.00 0.00 C ATOM 401 CG ASN A 25 -12.543 0.081 -2.547 1.00 0.00 C ATOM 402 OD1 ASN A 25 -12.773 0.208 -1.343 1.00 0.00 O ATOM 403 ND2 ASN A 25 -13.339 0.653 -3.483 1.00 0.00 N ATOM 0 H ASN A 25 -10.160 -0.936 -0.942 1.00 0.00 H new ATOM 0 HA ASN A 25 -12.255 -2.485 -2.077 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.424 -0.151 -2.903 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.436 -0.891 -4.128 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.149 1.203 -3.197 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.128 0.534 -4.474 1.00 0.00 H new ATOM 410 N ASP A 26 -9.232 -2.965 -3.438 1.00 0.00 N ATOM 411 CA ASP A 26 -8.420 -3.879 -4.255 1.00 0.00 C ATOM 412 C ASP A 26 -8.043 -5.187 -3.576 1.00 0.00 C ATOM 413 O ASP A 26 -8.113 -6.214 -4.237 1.00 0.00 O ATOM 414 CB ASP A 26 -7.181 -3.177 -4.861 1.00 0.00 C ATOM 415 CG ASP A 26 -7.643 -2.076 -5.822 1.00 0.00 C ATOM 416 OD1 ASP A 26 -7.416 -0.878 -5.510 1.00 0.00 O ATOM 417 OD2 ASP A 26 -8.232 -2.428 -6.880 1.00 0.00 O ATOM 0 H ASP A 26 -8.690 -2.190 -3.056 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.083 -4.167 -5.071 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.567 -2.750 -4.068 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.561 -3.901 -5.390 1.00 0.00 H new ATOM 422 N PHE A 27 -7.715 -5.223 -2.243 1.00 0.00 N ATOM 423 CA PHE A 27 -7.423 -6.441 -1.447 1.00 0.00 C ATOM 424 C PHE A 27 -8.677 -7.241 -1.223 1.00 0.00 C ATOM 425 O PHE A 27 -8.595 -8.455 -1.355 1.00 0.00 O ATOM 426 CB PHE A 27 -6.666 -6.220 -0.086 1.00 0.00 C ATOM 427 CG PHE A 27 -6.310 -7.412 0.816 1.00 0.00 C ATOM 428 CD1 PHE A 27 -7.209 -7.903 1.763 1.00 0.00 C ATOM 429 CD2 PHE A 27 -5.011 -7.875 0.874 1.00 0.00 C ATOM 430 CE1 PHE A 27 -6.815 -8.786 2.751 1.00 0.00 C ATOM 431 CE2 PHE A 27 -4.602 -8.714 1.893 1.00 0.00 C ATOM 432 CZ PHE A 27 -5.506 -9.193 2.814 1.00 0.00 C ATOM 0 H PHE A 27 -7.647 -4.371 -1.686 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.715 -6.995 -2.063 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.735 -5.703 -0.317 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.270 -5.536 0.510 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.240 -7.585 1.723 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.305 -7.578 0.113 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.533 -9.153 3.469 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.562 -8.997 1.968 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.187 -9.884 3.580 1.00 0.00 H new ATOM 442 N LEU A 28 -9.885 -6.618 -0.970 1.00 0.00 N ATOM 443 CA LEU A 28 -11.158 -7.362 -0.906 1.00 0.00 C ATOM 444 C LEU A 28 -11.533 -7.939 -2.254 1.00 0.00 C ATOM 445 O LEU A 28 -11.939 -9.084 -2.312 1.00 0.00 O ATOM 446 CB LEU A 28 -12.379 -6.628 -0.308 1.00 0.00 C ATOM 447 CG LEU A 28 -12.438 -6.531 1.230 1.00 0.00 C ATOM 448 CD1 LEU A 28 -13.669 -7.312 1.679 1.00 0.00 C ATOM 449 CD2 LEU A 28 -11.205 -7.021 2.000 1.00 0.00 C ATOM 0 H LEU A 28 -9.981 -5.615 -0.812 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.927 -8.148 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.402 -5.617 -0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.282 -7.131 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.480 -5.468 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.750 -7.270 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.561 -6.874 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.576 -8.351 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.372 -6.900 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.031 -8.074 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.334 -6.438 1.701 1.00 0.00 H new ATOM 461 N GLU A 29 -11.285 -7.215 -3.377 1.00 0.00 N ATOM 462 CA GLU A 29 -11.428 -7.733 -4.743 1.00 0.00 C ATOM 463 C GLU A 29 -10.529 -8.929 -5.064 1.00 0.00 C ATOM 464 O GLU A 29 -11.026 -9.986 -5.425 1.00 0.00 O ATOM 465 CB GLU A 29 -11.115 -6.602 -5.757 1.00 0.00 C ATOM 466 CG GLU A 29 -12.404 -6.052 -6.356 1.00 0.00 C ATOM 467 CD GLU A 29 -12.104 -4.908 -7.319 1.00 0.00 C ATOM 468 OE1 GLU A 29 -11.552 -3.872 -6.857 1.00 0.00 O ATOM 469 OE2 GLU A 29 -12.421 -5.052 -8.529 1.00 0.00 O ATOM 0 H GLU A 29 -10.977 -6.243 -3.347 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.458 -8.082 -4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.567 -5.801 -5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.472 -6.984 -6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.935 -6.846 -6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.061 -5.701 -5.560 1.00 0.00 H new ATOM 476 N LEU A 30 -9.188 -8.803 -4.842 1.00 0.00 N ATOM 477 CA LEU A 30 -8.147 -9.819 -4.986 1.00 0.00 C ATOM 478 C LEU A 30 -8.380 -11.071 -4.143 1.00 0.00 C ATOM 479 O LEU A 30 -8.298 -12.192 -4.639 1.00 0.00 O ATOM 480 CB LEU A 30 -6.836 -9.131 -4.532 1.00 0.00 C ATOM 481 CG LEU A 30 -5.522 -9.524 -5.220 1.00 0.00 C ATOM 482 CD1 LEU A 30 -5.517 -8.947 -6.634 1.00 0.00 C ATOM 483 CD2 LEU A 30 -5.151 -11.010 -5.195 1.00 0.00 C ATOM 0 H LEU A 30 -8.796 -7.913 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.127 -10.169 -6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.966 -8.056 -4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.718 -9.316 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.725 -9.086 -4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.588 -9.219 -7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.362 -9.348 -7.194 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.598 -7.861 -6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.203 -11.157 -5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.056 -11.344 -4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.930 -11.588 -5.692 1.00 0.00 H new ATOM 495 N LEU A 31 -8.803 -10.852 -2.861 1.00 0.00 N ATOM 496 CA LEU A 31 -9.222 -11.811 -1.842 1.00 0.00 C ATOM 497 C LEU A 31 -10.478 -12.562 -2.229 1.00 0.00 C ATOM 498 O LEU A 31 -10.532 -13.781 -2.132 1.00 0.00 O ATOM 499 CB LEU A 31 -9.462 -11.072 -0.492 1.00 0.00 C ATOM 500 CG LEU A 31 -9.863 -11.879 0.760 1.00 0.00 C ATOM 501 CD1 LEU A 31 -10.185 -10.906 1.922 1.00 0.00 C ATOM 502 CD2 LEU A 31 -8.755 -12.893 1.106 1.00 0.00 C ATOM 0 H LEU A 31 -8.857 -9.899 -2.501 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.420 -12.542 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.548 -10.529 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.239 -10.327 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.767 -12.457 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.468 -11.477 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.305 -10.303 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.008 -10.253 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.044 -13.460 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.612 -13.576 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.824 -12.361 1.304 1.00 0.00 H new ATOM 514 N ARG A 32 -11.528 -11.869 -2.738 1.00 0.00 N ATOM 515 CA ARG A 32 -12.768 -12.482 -3.167 1.00 0.00 C ATOM 516 C ARG A 32 -12.698 -13.232 -4.475 1.00 0.00 C ATOM 517 O ARG A 32 -13.189 -14.353 -4.540 1.00 0.00 O ATOM 518 CB ARG A 32 -13.863 -11.417 -3.196 1.00 0.00 C ATOM 519 CG ARG A 32 -14.168 -11.000 -1.758 1.00 0.00 C ATOM 520 CD ARG A 32 -15.175 -9.850 -1.646 1.00 0.00 C ATOM 521 NE ARG A 32 -14.855 -8.730 -2.600 1.00 0.00 N ATOM 522 CZ ARG A 32 -15.451 -7.499 -2.557 1.00 0.00 C ATOM 523 NH1 ARG A 32 -16.380 -7.200 -1.603 1.00 0.00 N ATOM 524 NH2 ARG A 32 -15.098 -6.553 -3.476 1.00 0.00 N ATOM 0 H ARG A 32 -11.516 -10.856 -2.855 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.999 -13.256 -2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.539 -10.556 -3.780 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.760 -11.808 -3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.554 -11.862 -1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.239 -10.705 -1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.178 -10.225 -1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -15.178 -9.468 -0.625 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.153 -8.899 -3.320 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -16.640 -7.899 -0.907 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.814 -6.277 -1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.397 -6.767 -4.185 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.536 -5.632 -3.454 1.00 0.00 H new ATOM 538 N ARG A 33 -12.068 -12.678 -5.555 1.00 0.00 N ATOM 539 CA ARG A 33 -11.881 -13.387 -6.830 1.00 0.00 C ATOM 540 C ARG A 33 -10.909 -14.503 -6.856 1.00 0.00 C ATOM 541 O ARG A 33 -11.197 -15.575 -7.378 1.00 0.00 O ATOM 542 CB ARG A 33 -11.613 -12.492 -8.052 1.00 0.00 C ATOM 543 CG ARG A 33 -10.556 -11.384 -7.955 1.00 0.00 C ATOM 544 CD ARG A 33 -9.723 -11.165 -9.216 1.00 0.00 C ATOM 545 NE ARG A 33 -8.887 -9.935 -8.998 1.00 0.00 N ATOM 546 CZ ARG A 33 -8.140 -9.357 -9.989 1.00 0.00 C ATOM 547 NH1 ARG A 33 -8.078 -9.917 -11.232 1.00 0.00 N ATOM 548 NH2 ARG A 33 -7.441 -8.214 -9.725 1.00 0.00 N ATOM 0 H ARG A 33 -11.683 -11.733 -5.552 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.876 -13.825 -6.908 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.330 -13.143 -8.879 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.557 -12.021 -8.326 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.056 -10.449 -7.703 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.883 -11.618 -7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.089 -12.030 -9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.369 -11.040 -10.085 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.876 -9.512 -8.070 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.592 -10.775 -11.431 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.518 -9.477 -11.962 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.478 -7.797 -8.795 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.882 -7.777 -10.458 1.00 0.00 H new ATOM 562 N ARG A 34 -9.700 -14.268 -6.315 1.00 0.00 N ATOM 563 CA ARG A 34 -8.657 -15.252 -6.369 1.00 0.00 C ATOM 564 C ARG A 34 -8.730 -16.320 -5.271 1.00 0.00 C ATOM 565 O ARG A 34 -8.302 -17.459 -5.457 1.00 0.00 O ATOM 566 CB ARG A 34 -7.297 -14.561 -6.466 1.00 0.00 C ATOM 567 CG ARG A 34 -7.310 -13.503 -7.583 1.00 0.00 C ATOM 568 CD ARG A 34 -5.932 -13.432 -8.232 1.00 0.00 C ATOM 569 NE ARG A 34 -5.863 -12.261 -9.175 1.00 0.00 N ATOM 570 CZ ARG A 34 -4.709 -11.562 -9.425 1.00 0.00 C ATOM 571 NH1 ARG A 34 -3.541 -11.879 -8.795 1.00 0.00 N ATOM 572 NH2 ARG A 34 -4.730 -10.526 -10.313 1.00 0.00 N ATOM 0 H ARG A 34 -9.443 -13.402 -5.842 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.809 -15.833 -7.278 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.053 -14.090 -5.514 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.520 -15.299 -6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.063 -13.756 -8.330 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.582 -12.530 -7.174 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.165 -13.336 -7.464 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.728 -14.356 -8.772 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.717 -11.972 -9.652 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.515 -12.647 -8.125 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.694 -11.348 -8.994 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.599 -10.276 -10.785 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.877 -10.001 -10.505 1.00 0.00 H new ATOM 586 N PHE A 35 -9.257 -15.939 -4.074 1.00 0.00 N ATOM 587 CA PHE A 35 -9.286 -16.791 -2.897 1.00 0.00 C ATOM 588 C PHE A 35 -10.714 -17.234 -2.492 1.00 0.00 C ATOM 589 O PHE A 35 -10.833 -18.289 -1.861 1.00 0.00 O ATOM 590 CB PHE A 35 -8.456 -16.177 -1.694 1.00 0.00 C ATOM 591 CG PHE A 35 -7.044 -15.714 -2.023 1.00 0.00 C ATOM 592 CD1 PHE A 35 -5.960 -16.314 -1.404 1.00 0.00 C ATOM 593 CD2 PHE A 35 -6.768 -14.630 -2.843 1.00 0.00 C ATOM 594 CE1 PHE A 35 -4.677 -15.886 -1.629 1.00 0.00 C ATOM 595 CE2 PHE A 35 -5.475 -14.227 -3.117 1.00 0.00 C ATOM 596 CZ PHE A 35 -4.418 -14.854 -2.498 1.00 0.00 C ATOM 0 H PHE A 35 -9.672 -15.020 -3.919 1.00 0.00 H new ATOM 0 HA PHE A 35 -8.778 -17.713 -3.179 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -9.010 -15.329 -1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -8.397 -16.923 -0.902 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.129 -17.139 -0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.590 -14.083 -3.281 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.858 -16.367 -1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.295 -13.423 -3.815 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.403 -14.540 -2.692 1.00 0.00 H new ATOM 606 N GLY A 36 -11.856 -16.480 -2.772 1.00 0.00 N ATOM 607 CA GLY A 36 -13.214 -16.816 -2.323 1.00 0.00 C ATOM 608 C GLY A 36 -13.401 -16.643 -0.867 1.00 0.00 C ATOM 609 O GLY A 36 -13.391 -15.522 -0.391 1.00 0.00 O ATOM 0 H GLY A 36 -11.821 -15.622 -3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.931 -16.189 -2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.434 -17.849 -2.592 1.00 0.00 H new ATOM 613 N THR A 37 -13.515 -17.747 -0.102 1.00 0.00 N ATOM 614 CA THR A 37 -13.450 -17.644 1.339 1.00 0.00 C ATOM 615 C THR A 37 -12.519 -18.811 1.659 1.00 0.00 C ATOM 616 O THR A 37 -12.918 -19.972 1.592 1.00 0.00 O ATOM 617 CB THR A 37 -14.848 -17.765 1.982 1.00 0.00 C ATOM 618 OG1 THR A 37 -15.587 -18.852 1.437 1.00 0.00 O ATOM 619 CG2 THR A 37 -15.713 -16.510 1.753 1.00 0.00 C ATOM 0 H THR A 37 -13.649 -18.692 -0.463 1.00 0.00 H new ATOM 0 HA THR A 37 -13.094 -16.689 1.726 1.00 0.00 H new ATOM 0 HB THR A 37 -14.652 -17.909 3.045 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.538 -18.616 1.402 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.686 -16.647 2.225 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.217 -15.642 2.188 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.848 -16.352 0.683 1.00 0.00 H new ATOM 627 N LYS A 38 -11.277 -18.501 2.062 1.00 0.00 N ATOM 628 CA LYS A 38 -10.234 -19.462 2.372 1.00 0.00 C ATOM 629 C LYS A 38 -9.450 -18.989 3.566 1.00 0.00 C ATOM 630 O LYS A 38 -9.076 -17.824 3.635 1.00 0.00 O ATOM 631 CB LYS A 38 -9.210 -19.587 1.208 1.00 0.00 C ATOM 632 CG LYS A 38 -8.091 -20.598 1.525 1.00 0.00 C ATOM 633 CD LYS A 38 -7.241 -21.059 0.348 1.00 0.00 C ATOM 634 CE LYS A 38 -6.606 -19.923 -0.461 1.00 0.00 C ATOM 635 NZ LYS A 38 -5.748 -20.456 -1.545 1.00 0.00 N ATOM 0 H LYS A 38 -10.971 -17.535 2.182 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.726 -20.418 2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.729 -19.895 0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.769 -18.610 1.007 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.431 -20.154 2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.544 -21.477 1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.449 -21.709 0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.860 -21.660 -0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.388 -19.295 -0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.013 -19.290 0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.330 -19.666 -2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.989 -21.036 -1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.322 -21.041 -2.186 1.00 0.00 H new ATOM 649 N ARG A 39 -9.058 -19.901 4.511 1.00 0.00 N ATOM 650 CA ARG A 39 -8.092 -19.606 5.578 1.00 0.00 C ATOM 651 C ARG A 39 -6.669 -19.467 4.968 1.00 0.00 C ATOM 652 O ARG A 39 -6.106 -20.392 4.391 1.00 0.00 O ATOM 653 CB ARG A 39 -8.132 -20.584 6.783 1.00 0.00 C ATOM 654 CG ARG A 39 -7.410 -21.937 6.657 1.00 0.00 C ATOM 655 CD ARG A 39 -8.016 -22.919 5.639 1.00 0.00 C ATOM 656 NE ARG A 39 -9.440 -23.224 6.029 1.00 0.00 N ATOM 657 CZ ARG A 39 -10.429 -23.522 5.129 1.00 0.00 C ATOM 658 NH1 ARG A 39 -10.189 -23.512 3.786 1.00 0.00 N ATOM 659 NH2 ARG A 39 -11.680 -23.826 5.585 1.00 0.00 N ATOM 0 H ARG A 39 -9.413 -20.857 4.539 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.390 -18.654 6.018 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.714 -20.064 7.645 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.179 -20.787 7.010 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.372 -21.751 6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.400 -22.416 7.636 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.985 -22.489 4.638 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.430 -23.838 5.609 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.681 -23.208 7.020 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.260 -23.280 3.436 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.939 -23.737 3.132 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.871 -23.830 6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.424 -24.049 4.924 1.00 0.00 H new ATOM 673 N VAL A 40 -6.110 -18.253 4.958 1.00 0.00 N ATOM 674 CA VAL A 40 -4.920 -17.903 4.183 1.00 0.00 C ATOM 675 C VAL A 40 -4.163 -16.864 4.982 1.00 0.00 C ATOM 676 O VAL A 40 -4.770 -16.187 5.812 1.00 0.00 O ATOM 677 CB VAL A 40 -5.263 -17.426 2.753 1.00 0.00 C ATOM 678 CG1 VAL A 40 -6.009 -16.075 2.697 1.00 0.00 C ATOM 679 CG2 VAL A 40 -4.027 -17.385 1.829 1.00 0.00 C ATOM 0 H VAL A 40 -6.481 -17.472 5.500 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.296 -18.783 4.028 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.953 -18.184 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.211 -15.814 1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.950 -16.156 3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.393 -15.300 3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.325 -17.043 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.287 -16.700 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.595 -18.383 1.754 1.00 0.00 H new ATOM 689 N HIS A 41 -2.820 -16.696 4.789 1.00 0.00 N ATOM 690 CA HIS A 41 -2.026 -15.670 5.468 1.00 0.00 C ATOM 691 C HIS A 41 -2.117 -14.378 4.675 1.00 0.00 C ATOM 692 O HIS A 41 -1.724 -14.272 3.517 1.00 0.00 O ATOM 693 CB HIS A 41 -0.530 -16.051 5.717 1.00 0.00 C ATOM 694 CG HIS A 41 0.218 -15.088 6.627 1.00 0.00 C ATOM 695 ND1 HIS A 41 0.778 -13.878 6.265 1.00 0.00 N ATOM 696 CD2 HIS A 41 0.310 -15.133 7.978 1.00 0.00 C ATOM 697 CE1 HIS A 41 1.131 -13.234 7.412 1.00 0.00 C ATOM 698 NE2 HIS A 41 0.847 -13.955 8.481 1.00 0.00 N ATOM 0 H HIS A 41 -2.274 -17.278 4.154 1.00 0.00 H new ATOM 0 HA HIS A 41 -2.453 -15.557 6.464 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -0.489 -17.050 6.152 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -0.015 -16.100 4.758 1.00 0.00 H new ATOM 0 HD1 HIS A 41 0.904 -13.531 5.314 1.00 0.00 H new ATOM 0 HD2 HIS A 41 0.006 -15.974 8.584 1.00 0.00 H new ATOM 0 HE1 HIS A 41 1.587 -12.255 7.443 1.00 0.00 H new ATOM 706 N ASN A 42 -2.638 -13.311 5.315 1.00 0.00 N ATOM 707 CA ASN A 42 -2.882 -11.950 4.837 1.00 0.00 C ATOM 708 C ASN A 42 -1.694 -11.239 4.187 1.00 0.00 C ATOM 709 O ASN A 42 -1.839 -10.457 3.254 1.00 0.00 O ATOM 710 CB ASN A 42 -3.329 -11.221 6.121 1.00 0.00 C ATOM 711 CG ASN A 42 -3.919 -9.803 6.066 1.00 0.00 C ATOM 712 OD1 ASN A 42 -4.934 -9.616 6.742 1.00 0.00 O ATOM 713 ND2 ASN A 42 -3.300 -8.835 5.348 1.00 0.00 N ATOM 0 H ASN A 42 -2.928 -13.402 6.289 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.607 -11.958 4.023 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.071 -11.856 6.606 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.463 -11.180 6.782 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.671 -7.885 5.346 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.463 -9.056 4.809 1.00 0.00 H new ATOM 720 N ASN A 43 -0.448 -11.527 4.658 1.00 0.00 N ATOM 721 CA ASN A 43 0.786 -10.979 4.075 1.00 0.00 C ATOM 722 C ASN A 43 1.086 -11.604 2.697 1.00 0.00 C ATOM 723 O ASN A 43 1.577 -10.911 1.816 1.00 0.00 O ATOM 724 CB ASN A 43 1.975 -10.920 5.088 1.00 0.00 C ATOM 725 CG ASN A 43 3.066 -9.882 4.753 1.00 0.00 C ATOM 726 OD1 ASN A 43 4.153 -10.287 4.343 1.00 0.00 O ATOM 727 ND2 ASN A 43 2.797 -8.566 4.971 1.00 0.00 N ATOM 0 H ASN A 43 -0.284 -12.146 5.452 1.00 0.00 H new ATOM 0 HA ASN A 43 0.620 -9.923 3.859 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.578 -10.700 6.079 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.437 -11.906 5.141 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.514 -7.863 4.794 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.878 -8.283 5.312 1.00 0.00 H new ATOM 734 N ILE A 44 0.633 -12.879 2.449 1.00 0.00 N ATOM 735 CA ILE A 44 0.616 -13.611 1.162 1.00 0.00 C ATOM 736 C ILE A 44 -0.346 -12.941 0.198 1.00 0.00 C ATOM 737 O ILE A 44 -0.061 -12.760 -0.980 1.00 0.00 O ATOM 738 CB ILE A 44 0.220 -15.087 1.307 1.00 0.00 C ATOM 739 CG1 ILE A 44 1.211 -15.731 2.307 1.00 0.00 C ATOM 740 CG2 ILE A 44 0.126 -15.824 -0.067 1.00 0.00 C ATOM 741 CD1 ILE A 44 1.062 -17.246 2.362 1.00 0.00 C ATOM 0 H ILE A 44 0.247 -13.448 3.203 1.00 0.00 H new ATOM 0 HA ILE A 44 1.637 -13.581 0.781 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.792 -15.176 1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.232 -15.477 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.046 -15.314 3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.157 -16.864 0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.624 -15.337 -0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.094 -15.786 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.776 -17.656 3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.049 -17.501 2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.254 -17.667 1.375 1.00 0.00 H new ATOM 753 N VAL A 45 -1.514 -12.514 0.745 1.00 0.00 N ATOM 754 CA VAL A 45 -2.585 -11.812 0.016 1.00 0.00 C ATOM 755 C VAL A 45 -2.208 -10.357 -0.314 1.00 0.00 C ATOM 756 O VAL A 45 -2.457 -9.877 -1.419 1.00 0.00 O ATOM 757 CB VAL A 45 -3.943 -11.923 0.715 1.00 0.00 C ATOM 758 CG1 VAL A 45 -4.234 -13.391 1.079 1.00 0.00 C ATOM 759 CG2 VAL A 45 -5.076 -11.424 -0.205 1.00 0.00 C ATOM 0 H VAL A 45 -1.735 -12.656 1.731 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.695 -12.326 -0.939 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.903 -11.309 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.202 -13.458 1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.249 -13.995 0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.457 -13.761 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.031 -11.513 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.900 -10.380 -0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.099 -12.026 -1.113 1.00 0.00 H new ATOM 769 N TYR A 46 -1.526 -9.651 0.650 1.00 0.00 N ATOM 770 CA TYR A 46 -0.983 -8.284 0.610 1.00 0.00 C ATOM 771 C TYR A 46 0.106 -8.192 -0.398 1.00 0.00 C ATOM 772 O TYR A 46 -0.024 -7.370 -1.289 1.00 0.00 O ATOM 773 CB TYR A 46 -0.416 -7.845 2.005 1.00 0.00 C ATOM 774 CG TYR A 46 -0.421 -6.395 2.464 1.00 0.00 C ATOM 775 CD1 TYR A 46 -0.230 -6.284 3.836 1.00 0.00 C ATOM 776 CD2 TYR A 46 -0.765 -5.234 1.768 1.00 0.00 C ATOM 777 CE1 TYR A 46 -0.701 -5.212 4.548 1.00 0.00 C ATOM 778 CE2 TYR A 46 -1.159 -4.134 2.501 1.00 0.00 C ATOM 779 CZ TYR A 46 -1.209 -4.140 3.871 1.00 0.00 C ATOM 780 OH TYR A 46 -1.860 -3.093 4.539 1.00 0.00 O ATOM 0 H TYR A 46 -1.335 -10.085 1.553 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.804 -7.619 0.340 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.962 -8.413 2.758 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.620 -8.181 2.042 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.305 -7.065 4.356 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.724 -5.199 0.689 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.671 -5.215 5.628 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -1.439 -3.233 1.975 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.785 -3.029 4.223 1.00 0.00 H new ATOM 790 N ASN A 47 1.122 -9.114 -0.357 1.00 0.00 N ATOM 791 CA ASN A 47 2.199 -9.290 -1.339 1.00 0.00 C ATOM 792 C ASN A 47 1.703 -9.661 -2.719 1.00 0.00 C ATOM 793 O ASN A 47 2.265 -9.226 -3.717 1.00 0.00 O ATOM 794 CB ASN A 47 3.180 -10.380 -0.892 1.00 0.00 C ATOM 795 CG ASN A 47 4.058 -9.775 0.190 1.00 0.00 C ATOM 796 OD1 ASN A 47 4.569 -8.658 0.082 1.00 0.00 O ATOM 797 ND2 ASN A 47 4.222 -10.603 1.250 1.00 0.00 N ATOM 0 H ASN A 47 1.198 -9.781 0.411 1.00 0.00 H new ATOM 0 HA ASN A 47 2.689 -8.318 -1.395 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.643 -11.249 -0.511 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.785 -10.722 -1.732 1.00 0.00 H new ATOM 0 HD21 ASN A 47 4.804 -10.315 2.036 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.763 -11.514 1.262 1.00 0.00 H new ATOM 804 N GLU A 48 0.565 -10.412 -2.781 1.00 0.00 N ATOM 805 CA GLU A 48 -0.156 -10.722 -4.029 1.00 0.00 C ATOM 806 C GLU A 48 -0.843 -9.495 -4.653 1.00 0.00 C ATOM 807 O GLU A 48 -0.727 -9.248 -5.849 1.00 0.00 O ATOM 808 CB GLU A 48 -1.184 -11.876 -3.879 1.00 0.00 C ATOM 809 CG GLU A 48 -1.691 -12.399 -5.237 1.00 0.00 C ATOM 810 CD GLU A 48 -2.284 -13.804 -5.148 1.00 0.00 C ATOM 811 OE1 GLU A 48 -1.574 -14.718 -4.648 1.00 0.00 O ATOM 812 OE2 GLU A 48 -3.443 -13.987 -5.604 1.00 0.00 O ATOM 0 H GLU A 48 0.128 -10.817 -1.953 1.00 0.00 H new ATOM 0 HA GLU A 48 0.628 -11.057 -4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.726 -12.696 -3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.032 -11.528 -3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.446 -11.715 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.867 -12.402 -5.950 1.00 0.00 H new ATOM 819 N TYR A 49 -1.519 -8.670 -3.806 1.00 0.00 N ATOM 820 CA TYR A 49 -2.170 -7.398 -4.113 1.00 0.00 C ATOM 821 C TYR A 49 -1.172 -6.267 -4.479 1.00 0.00 C ATOM 822 O TYR A 49 -1.298 -5.646 -5.528 1.00 0.00 O ATOM 823 CB TYR A 49 -3.317 -7.128 -3.069 1.00 0.00 C ATOM 824 CG TYR A 49 -3.450 -5.723 -2.599 1.00 0.00 C ATOM 825 CD1 TYR A 49 -4.204 -4.778 -3.259 1.00 0.00 C ATOM 826 CD2 TYR A 49 -2.595 -5.332 -1.605 1.00 0.00 C ATOM 827 CE1 TYR A 49 -4.096 -3.463 -2.869 1.00 0.00 C ATOM 828 CE2 TYR A 49 -2.397 -4.011 -1.319 1.00 0.00 C ATOM 829 CZ TYR A 49 -3.193 -3.069 -1.913 1.00 0.00 C ATOM 830 OH TYR A 49 -3.104 -1.720 -1.549 1.00 0.00 O ATOM 0 H TYR A 49 -1.621 -8.910 -2.820 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.705 -7.442 -5.061 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.265 -7.434 -3.512 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.150 -7.767 -2.202 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.865 -5.063 -4.064 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.066 -6.082 -1.036 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.737 -2.723 -3.326 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.620 -3.713 -0.631 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.563 -1.170 -2.218 1.00 0.00 H new ATOM 840 N ILE A 50 -0.129 -5.986 -3.654 1.00 0.00 N ATOM 841 CA ILE A 50 0.881 -4.929 -3.887 1.00 0.00 C ATOM 842 C ILE A 50 1.901 -5.143 -4.984 1.00 0.00 C ATOM 843 O ILE A 50 2.506 -4.176 -5.446 1.00 0.00 O ATOM 844 CB ILE A 50 1.697 -4.517 -2.677 1.00 0.00 C ATOM 845 CG1 ILE A 50 2.429 -5.686 -1.995 1.00 0.00 C ATOM 846 CG2 ILE A 50 0.779 -3.795 -1.712 1.00 0.00 C ATOM 847 CD1 ILE A 50 2.619 -5.584 -0.482 1.00 0.00 C ATOM 0 H ILE A 50 0.033 -6.502 -2.789 1.00 0.00 H new ATOM 0 HA ILE A 50 0.178 -4.154 -4.193 1.00 0.00 H new ATOM 0 HB ILE A 50 2.495 -3.855 -3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.880 -6.603 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.412 -5.788 -2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.345 -3.488 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.360 -2.914 -2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.029 -4.462 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.147 -6.467 -0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.201 -4.692 -0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.645 -5.520 0.003 1.00 0.00 H new ATOM 859 N SER A 51 2.095 -6.407 -5.432 1.00 0.00 N ATOM 860 CA SER A 51 2.965 -6.817 -6.555 1.00 0.00 C ATOM 861 C SER A 51 2.523 -6.323 -7.949 1.00 0.00 C ATOM 862 O SER A 51 3.179 -6.585 -8.949 1.00 0.00 O ATOM 863 CB SER A 51 3.186 -8.348 -6.687 1.00 0.00 C ATOM 864 OG SER A 51 3.942 -8.834 -5.588 1.00 0.00 O ATOM 0 H SER A 51 1.627 -7.203 -4.999 1.00 0.00 H new ATOM 0 HA SER A 51 3.893 -6.324 -6.265 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.224 -8.859 -6.729 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.705 -8.568 -7.620 1.00 0.00 H new ATOM 0 HG SER A 51 3.345 -9.003 -4.830 1.00 0.00 H new ATOM 870 N HIS A 52 1.400 -5.562 -8.010 1.00 0.00 N ATOM 871 CA HIS A 52 0.830 -4.835 -9.131 1.00 0.00 C ATOM 872 C HIS A 52 1.415 -3.402 -9.093 1.00 0.00 C ATOM 873 O HIS A 52 2.599 -3.192 -8.847 1.00 0.00 O ATOM 874 CB HIS A 52 -0.727 -4.793 -8.970 1.00 0.00 C ATOM 875 CG HIS A 52 -1.469 -6.109 -9.153 1.00 0.00 C ATOM 876 ND1 HIS A 52 -2.197 -6.431 -10.287 1.00 0.00 N ATOM 877 CD2 HIS A 52 -1.719 -7.119 -8.270 1.00 0.00 C ATOM 878 CE1 HIS A 52 -2.856 -7.590 -10.023 1.00 0.00 C ATOM 879 NE2 HIS A 52 -2.601 -8.038 -8.817 1.00 0.00 N ATOM 0 H HIS A 52 0.824 -5.442 -7.177 1.00 0.00 H new ATOM 0 HA HIS A 52 1.067 -5.313 -10.082 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.956 -4.409 -7.976 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.124 -4.076 -9.688 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.232 -5.899 -11.156 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.289 -7.192 -7.282 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -3.513 -8.084 -10.724 1.00 0.00 H new ATOM 887 N ARG A 53 0.586 -2.354 -9.331 1.00 0.00 N ATOM 888 CA ARG A 53 0.941 -0.938 -9.280 1.00 0.00 C ATOM 889 C ARG A 53 1.066 -0.296 -7.888 1.00 0.00 C ATOM 890 O ARG A 53 1.815 0.646 -7.646 1.00 0.00 O ATOM 891 CB ARG A 53 0.000 -0.142 -10.226 1.00 0.00 C ATOM 892 CG ARG A 53 -1.329 0.382 -9.641 1.00 0.00 C ATOM 893 CD ARG A 53 -2.404 -0.632 -9.189 1.00 0.00 C ATOM 894 NE ARG A 53 -2.828 -1.459 -10.370 1.00 0.00 N ATOM 895 CZ ARG A 53 -3.808 -2.414 -10.305 1.00 0.00 C ATOM 896 NH1 ARG A 53 -4.526 -2.607 -9.162 1.00 0.00 N ATOM 897 NH2 ARG A 53 -4.065 -3.187 -11.401 1.00 0.00 N ATOM 0 H ARG A 53 -0.394 -2.495 -9.575 1.00 0.00 H new ATOM 0 HA ARG A 53 1.972 -0.885 -9.631 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.557 0.712 -10.612 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.237 -0.779 -11.078 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.086 1.007 -8.782 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.784 1.031 -10.389 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.008 -1.275 -8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.263 -0.108 -8.769 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.363 -1.301 -11.264 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.337 -2.036 -8.338 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.252 -3.322 -9.131 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.529 -3.051 -12.258 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.793 -3.901 -11.362 1.00 0.00 H new ATOM 911 N GLU A 54 0.159 -0.759 -7.014 1.00 0.00 N ATOM 912 CA GLU A 54 -0.333 -0.200 -5.774 1.00 0.00 C ATOM 913 C GLU A 54 0.420 -0.259 -4.476 1.00 0.00 C ATOM 914 O GLU A 54 -0.235 0.003 -3.473 1.00 0.00 O ATOM 915 CB GLU A 54 -1.745 -0.790 -5.560 1.00 0.00 C ATOM 916 CG GLU A 54 -1.770 -2.323 -5.410 1.00 0.00 C ATOM 917 CD GLU A 54 -3.114 -2.829 -5.942 1.00 0.00 C ATOM 918 OE1 GLU A 54 -3.136 -3.898 -6.606 1.00 0.00 O ATOM 919 OE2 GLU A 54 -4.142 -2.135 -5.724 1.00 0.00 O ATOM 0 H GLU A 54 -0.297 -1.652 -7.199 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.237 0.869 -5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.183 -0.341 -4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.377 -0.508 -6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.947 -2.774 -5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.643 -2.606 -4.365 1.00 0.00 H new ATOM 926 N HIS A 55 1.726 -0.639 -4.426 1.00 0.00 N ATOM 927 CA HIS A 55 2.587 -0.912 -3.247 1.00 0.00 C ATOM 928 C HIS A 55 2.446 -0.265 -1.838 1.00 0.00 C ATOM 929 O HIS A 55 3.425 0.082 -1.179 1.00 0.00 O ATOM 930 CB HIS A 55 4.102 -0.993 -3.641 1.00 0.00 C ATOM 931 CG HIS A 55 4.986 -1.814 -2.709 1.00 0.00 C ATOM 932 ND1 HIS A 55 6.356 -1.674 -2.587 1.00 0.00 N ATOM 933 CD2 HIS A 55 4.648 -2.830 -1.867 1.00 0.00 C ATOM 934 CE1 HIS A 55 6.771 -2.601 -1.684 1.00 0.00 C ATOM 935 NE2 HIS A 55 5.770 -3.320 -1.210 1.00 0.00 N ATOM 0 H HIS A 55 2.249 -0.774 -5.291 1.00 0.00 H new ATOM 0 HA HIS A 55 2.081 -1.847 -3.008 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.175 -1.413 -4.644 1.00 0.00 H new ATOM 0 HB3 HIS A 55 4.500 0.020 -3.690 1.00 0.00 H new ATOM 0 HD1 HIS A 55 6.944 -1.002 -3.081 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.644 -3.204 -1.729 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.801 -2.734 -1.388 1.00 0.00 H new ATOM 943 N ILE A 56 1.189 -0.253 -1.302 1.00 0.00 N ATOM 944 CA ILE A 56 0.717 0.062 0.034 1.00 0.00 C ATOM 945 C ILE A 56 0.787 -1.233 0.776 1.00 0.00 C ATOM 946 O ILE A 56 -0.139 -2.036 0.701 1.00 0.00 O ATOM 947 CB ILE A 56 -0.728 0.480 0.128 1.00 0.00 C ATOM 948 CG1 ILE A 56 -0.933 1.733 -0.715 1.00 0.00 C ATOM 949 CG2 ILE A 56 -1.340 0.684 1.551 1.00 0.00 C ATOM 950 CD1 ILE A 56 -2.271 1.448 -1.322 1.00 0.00 C ATOM 0 H ILE A 56 0.398 -0.500 -1.897 1.00 0.00 H new ATOM 0 HA ILE A 56 1.320 0.891 0.405 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.280 -0.381 -0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.938 2.641 -0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.155 1.856 -1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.384 0.983 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.278 -0.249 2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.785 1.461 2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.561 2.276 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.216 0.531 -1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.011 1.329 -0.531 1.00 0.00 H new ATOM 962 N HIS A 57 1.893 -1.476 1.475 1.00 0.00 N ATOM 963 CA HIS A 57 2.158 -2.668 2.242 1.00 0.00 C ATOM 964 C HIS A 57 1.692 -2.412 3.668 1.00 0.00 C ATOM 965 O HIS A 57 1.197 -1.341 4.003 1.00 0.00 O ATOM 966 CB HIS A 57 3.685 -2.927 2.126 1.00 0.00 C ATOM 967 CG HIS A 57 4.146 -4.355 2.185 1.00 0.00 C ATOM 968 ND1 HIS A 57 5.173 -4.826 1.393 1.00 0.00 N ATOM 969 CD2 HIS A 57 3.774 -5.405 2.968 1.00 0.00 C ATOM 970 CE1 HIS A 57 5.369 -6.123 1.738 1.00 0.00 C ATOM 971 NE2 HIS A 57 4.545 -6.508 2.698 1.00 0.00 N ATOM 0 H HIS A 57 2.661 -0.806 1.517 1.00 0.00 H new ATOM 0 HA HIS A 57 1.630 -3.554 1.889 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.029 -2.500 1.184 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.182 -2.378 2.926 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.686 -4.300 0.685 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.981 -5.374 3.701 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.109 -6.764 1.283 1.00 0.00 H new ATOM 979 N MET A 58 1.900 -3.350 4.625 1.00 0.00 N ATOM 980 CA MET A 58 1.699 -3.198 6.080 1.00 0.00 C ATOM 981 C MET A 58 2.506 -2.034 6.708 1.00 0.00 C ATOM 982 O MET A 58 2.290 -1.562 7.810 1.00 0.00 O ATOM 983 CB MET A 58 2.150 -4.532 6.715 1.00 0.00 C ATOM 984 CG MET A 58 2.026 -4.637 8.242 1.00 0.00 C ATOM 985 SD MET A 58 1.278 -6.188 8.776 1.00 0.00 S ATOM 986 CE MET A 58 -0.405 -5.516 8.637 1.00 0.00 C ATOM 0 H MET A 58 2.231 -4.284 4.384 1.00 0.00 H new ATOM 0 HA MET A 58 0.652 -2.960 6.266 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.567 -5.337 6.269 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.192 -4.705 6.444 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.015 -4.543 8.690 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.428 -3.804 8.612 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.112 -6.333 8.493 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.657 -4.974 9.549 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.457 -4.837 7.786 1.00 0.00 H new ATOM 996 N ASN A 59 3.445 -1.537 5.883 1.00 0.00 N ATOM 997 CA ASN A 59 4.350 -0.439 5.959 1.00 0.00 C ATOM 998 C ASN A 59 3.699 0.911 5.477 1.00 0.00 C ATOM 999 O ASN A 59 4.290 1.975 5.652 1.00 0.00 O ATOM 1000 CB ASN A 59 5.571 -0.891 5.073 1.00 0.00 C ATOM 1001 CG ASN A 59 6.183 -2.278 5.421 1.00 0.00 C ATOM 1002 OD1 ASN A 59 7.273 -2.293 5.995 1.00 0.00 O ATOM 1003 ND2 ASN A 59 5.589 -3.452 5.038 1.00 0.00 N ATOM 0 H ASN A 59 3.585 -2.010 4.990 1.00 0.00 H new ATOM 0 HA ASN A 59 4.653 -0.217 6.982 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.253 -0.906 4.030 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.355 -0.138 5.156 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.049 -4.342 5.228 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.687 -3.436 4.563 1.00 0.00 H new ATOM 1010 N ALA A 60 2.470 0.905 4.869 1.00 0.00 N ATOM 1011 CA ALA A 60 1.728 2.074 4.360 1.00 0.00 C ATOM 1012 C ALA A 60 0.330 2.143 4.984 1.00 0.00 C ATOM 1013 O ALA A 60 -0.664 2.150 4.262 1.00 0.00 O ATOM 1014 CB ALA A 60 1.535 1.967 2.816 1.00 0.00 C ATOM 0 H ALA A 60 1.958 0.035 4.721 1.00 0.00 H new ATOM 0 HA ALA A 60 2.307 2.961 4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.986 2.837 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.510 1.927 2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.975 1.062 2.581 1.00 0.00 H new ATOM 1020 N THR A 61 0.200 2.160 6.341 1.00 0.00 N ATOM 1021 CA THR A 61 -1.084 2.077 7.068 1.00 0.00 C ATOM 1022 C THR A 61 -0.798 2.132 8.572 1.00 0.00 C ATOM 1023 O THR A 61 0.355 2.182 8.997 1.00 0.00 O ATOM 1024 CB THR A 61 -2.014 0.936 6.631 1.00 0.00 C ATOM 1025 OG1 THR A 61 -3.253 0.890 7.344 1.00 0.00 O ATOM 1026 CG2 THR A 61 -1.283 -0.414 6.649 1.00 0.00 C ATOM 0 H THR A 61 1.004 2.233 6.964 1.00 0.00 H new ATOM 0 HA THR A 61 -1.684 2.945 6.794 1.00 0.00 H new ATOM 0 HB THR A 61 -2.293 1.154 5.600 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.758 0.095 7.072 1.00 0.00 H new ATOM 0 HG21 THR A 61 -1.967 -1.202 6.335 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.434 -0.377 5.966 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.928 -0.622 7.658 1.00 0.00 H new ATOM 1034 N GLN A 62 -1.870 2.153 9.418 1.00 0.00 N ATOM 1035 CA GLN A 62 -1.857 2.330 10.874 1.00 0.00 C ATOM 1036 C GLN A 62 -1.591 1.074 11.690 1.00 0.00 C ATOM 1037 O GLN A 62 -1.396 1.103 12.906 1.00 0.00 O ATOM 1038 CB GLN A 62 -3.207 2.948 11.342 1.00 0.00 C ATOM 1039 CG GLN A 62 -4.437 2.010 11.311 1.00 0.00 C ATOM 1040 CD GLN A 62 -5.637 2.685 11.975 1.00 0.00 C ATOM 1041 OE1 GLN A 62 -5.606 3.869 12.318 1.00 0.00 O ATOM 1042 NE2 GLN A 62 -6.725 1.893 12.174 1.00 0.00 N ATOM 0 H GLN A 62 -2.819 2.038 9.063 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.012 2.992 11.062 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.081 3.314 12.361 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.422 3.815 10.717 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.681 1.753 10.280 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.205 1.078 11.826 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.708 0.918 11.874 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.558 2.274 12.623 1.00 0.00 H new ATOM 1051 N TRP A 63 -1.632 -0.072 10.977 1.00 0.00 N ATOM 1052 CA TRP A 63 -1.480 -1.423 11.454 1.00 0.00 C ATOM 1053 C TRP A 63 -0.072 -1.886 11.089 1.00 0.00 C ATOM 1054 O TRP A 63 0.192 -2.281 9.956 1.00 0.00 O ATOM 1055 CB TRP A 63 -2.577 -2.378 10.866 1.00 0.00 C ATOM 1056 CG TRP A 63 -3.966 -1.785 10.526 1.00 0.00 C ATOM 1057 CD1 TRP A 63 -4.994 -1.491 11.379 1.00 0.00 C ATOM 1058 CD2 TRP A 63 -4.525 -1.638 9.191 1.00 0.00 C ATOM 1059 NE1 TRP A 63 -6.139 -1.177 10.670 1.00 0.00 N ATOM 1060 CE2 TRP A 63 -5.860 -1.278 9.325 1.00 0.00 C ATOM 1061 CE3 TRP A 63 -3.992 -1.818 7.947 1.00 0.00 C ATOM 1062 CZ2 TRP A 63 -6.670 -1.146 8.225 1.00 0.00 C ATOM 1063 CZ3 TRP A 63 -4.812 -1.668 6.835 1.00 0.00 C ATOM 1064 CH2 TRP A 63 -6.158 -1.359 6.958 1.00 0.00 C ATOM 0 H TRP A 63 -1.787 -0.050 9.969 1.00 0.00 H new ATOM 0 HA TRP A 63 -1.615 -1.452 12.535 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -2.175 -2.824 9.956 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -2.728 -3.189 11.579 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -4.922 -1.502 12.457 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.038 -0.915 11.075 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.949 -2.073 7.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -7.708 -0.876 8.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -4.390 -1.795 5.849 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -6.791 -1.286 6.086 1.00 0.00 H new ATOM 1075 N GLU A 64 0.868 -1.789 12.068 1.00 0.00 N ATOM 1076 CA GLU A 64 2.292 -2.104 11.966 1.00 0.00 C ATOM 1077 C GLU A 64 2.556 -3.602 11.966 1.00 0.00 C ATOM 1078 O GLU A 64 3.360 -4.137 11.209 1.00 0.00 O ATOM 1079 CB GLU A 64 3.007 -1.426 13.173 1.00 0.00 C ATOM 1080 CG GLU A 64 4.501 -1.760 13.357 1.00 0.00 C ATOM 1081 CD GLU A 64 5.110 -0.839 14.415 1.00 0.00 C ATOM 1082 OE1 GLU A 64 4.662 -0.911 15.590 1.00 0.00 O ATOM 1083 OE2 GLU A 64 6.032 -0.056 14.062 1.00 0.00 O ATOM 0 H GLU A 64 0.620 -1.467 13.003 1.00 0.00 H new ATOM 0 HA GLU A 64 2.676 -1.729 11.017 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.908 -0.346 13.066 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.479 -1.706 14.085 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.616 -2.801 13.658 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.029 -1.642 12.411 1.00 0.00 H new ATOM 1090 N THR A 65 1.844 -4.315 12.856 1.00 0.00 N ATOM 1091 CA THR A 65 1.899 -5.750 13.055 1.00 0.00 C ATOM 1092 C THR A 65 0.555 -6.227 12.535 1.00 0.00 C ATOM 1093 O THR A 65 -0.454 -5.540 12.719 1.00 0.00 O ATOM 1094 CB THR A 65 2.262 -6.096 14.521 1.00 0.00 C ATOM 1095 OG1 THR A 65 1.705 -7.314 15.004 1.00 0.00 O ATOM 1096 CG2 THR A 65 1.894 -4.966 15.509 1.00 0.00 C ATOM 0 H THR A 65 1.179 -3.866 13.486 1.00 0.00 H new ATOM 0 HA THR A 65 2.692 -6.271 12.518 1.00 0.00 H new ATOM 0 HB THR A 65 3.344 -6.220 14.480 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.984 -7.456 15.933 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.171 -5.263 16.521 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.431 -4.057 15.238 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.821 -4.780 15.466 1.00 0.00 H new ATOM 1104 N LEU A 66 0.504 -7.421 11.849 1.00 0.00 N ATOM 1105 CA LEU A 66 -0.643 -8.033 11.153 1.00 0.00 C ATOM 1106 C LEU A 66 -1.895 -8.166 11.994 1.00 0.00 C ATOM 1107 O LEU A 66 -3.002 -7.947 11.517 1.00 0.00 O ATOM 1108 CB LEU A 66 -0.226 -9.361 10.440 1.00 0.00 C ATOM 1109 CG LEU A 66 -1.014 -9.869 9.189 1.00 0.00 C ATOM 1110 CD1 LEU A 66 -0.513 -9.239 7.876 1.00 0.00 C ATOM 1111 CD2 LEU A 66 -2.545 -9.758 9.290 1.00 0.00 C ATOM 0 H LEU A 66 1.335 -8.008 11.774 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.938 -7.325 10.378 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.817 -9.253 10.142 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.263 -10.153 11.188 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.794 -10.936 9.171 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.095 -9.628 7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.627 -8.156 7.925 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.539 -9.487 7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.998 -10.136 8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.897 -10.345 10.138 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.826 -8.714 9.430 1.00 0.00 H new ATOM 1123 N THR A 67 -1.707 -8.370 13.323 1.00 0.00 N ATOM 1124 CA THR A 67 -2.589 -8.558 14.446 1.00 0.00 C ATOM 1125 C THR A 67 -3.543 -7.411 14.566 1.00 0.00 C ATOM 1126 O THR A 67 -4.726 -7.681 14.652 1.00 0.00 O ATOM 1127 CB THR A 67 -1.750 -8.677 15.724 1.00 0.00 C ATOM 1128 OG1 THR A 67 -0.759 -9.678 15.542 1.00 0.00 O ATOM 1129 CG2 THR A 67 -2.628 -9.081 16.910 1.00 0.00 C ATOM 0 H THR A 67 -0.745 -8.408 13.660 1.00 0.00 H new ATOM 0 HA THR A 67 -3.169 -9.469 14.297 1.00 0.00 H new ATOM 0 HB THR A 67 -1.291 -7.710 15.926 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.156 -10.454 15.094 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.014 -9.160 17.807 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.400 -8.327 17.064 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.096 -10.044 16.705 1.00 0.00 H new ATOM 1137 N ASP A 68 -3.108 -6.129 14.432 1.00 0.00 N ATOM 1138 CA ASP A 68 -3.982 -4.950 14.400 1.00 0.00 C ATOM 1139 C ASP A 68 -4.824 -4.738 13.154 1.00 0.00 C ATOM 1140 O ASP A 68 -5.908 -4.165 13.224 1.00 0.00 O ATOM 1141 CB ASP A 68 -3.198 -3.644 14.719 1.00 0.00 C ATOM 1142 CG ASP A 68 -3.946 -2.772 15.730 1.00 0.00 C ATOM 1143 OD1 ASP A 68 -4.189 -3.257 16.868 1.00 0.00 O ATOM 1144 OD2 ASP A 68 -4.282 -1.608 15.377 1.00 0.00 O ATOM 0 H ASP A 68 -2.119 -5.894 14.342 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.702 -5.182 15.185 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.214 -3.897 15.113 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.038 -3.081 13.800 1.00 0.00 H new ATOM 1149 N PHE A 69 -4.363 -5.247 11.974 1.00 0.00 N ATOM 1150 CA PHE A 69 -5.109 -5.287 10.718 1.00 0.00 C ATOM 1151 C PHE A 69 -6.220 -6.347 10.795 1.00 0.00 C ATOM 1152 O PHE A 69 -7.358 -6.140 10.371 1.00 0.00 O ATOM 1153 CB PHE A 69 -4.163 -5.460 9.491 1.00 0.00 C ATOM 1154 CG PHE A 69 -4.914 -5.459 8.182 1.00 0.00 C ATOM 1155 CD1 PHE A 69 -4.695 -6.470 7.271 1.00 0.00 C ATOM 1156 CD2 PHE A 69 -5.975 -4.594 7.982 1.00 0.00 C ATOM 1157 CE1 PHE A 69 -5.596 -6.681 6.254 1.00 0.00 C ATOM 1158 CE2 PHE A 69 -6.886 -4.825 6.985 1.00 0.00 C ATOM 1159 CZ PHE A 69 -6.703 -5.890 6.145 1.00 0.00 C ATOM 0 H PHE A 69 -3.430 -5.649 11.888 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.600 -4.326 10.566 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.428 -4.655 9.486 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.611 -6.395 9.590 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.818 -7.095 7.356 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.086 -3.728 8.618 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.428 -7.474 5.540 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.739 -4.174 6.863 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.442 -6.107 5.388 1.00 0.00 H new ATOM 1169 N THR A 70 -5.896 -7.481 11.460 1.00 0.00 N ATOM 1170 CA THR A 70 -6.783 -8.610 11.750 1.00 0.00 C ATOM 1171 C THR A 70 -7.825 -8.267 12.803 1.00 0.00 C ATOM 1172 O THR A 70 -8.995 -8.631 12.664 1.00 0.00 O ATOM 1173 CB THR A 70 -6.010 -9.873 12.056 1.00 0.00 C ATOM 1174 OG1 THR A 70 -4.800 -9.616 12.706 1.00 0.00 O ATOM 1175 CG2 THR A 70 -5.685 -10.550 10.714 1.00 0.00 C ATOM 0 H THR A 70 -4.955 -7.631 11.824 1.00 0.00 H new ATOM 0 HA THR A 70 -7.346 -8.820 10.841 1.00 0.00 H new ATOM 0 HB THR A 70 -6.619 -10.496 12.712 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.467 -10.442 13.116 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.126 -11.468 10.896 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.612 -10.787 10.192 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.086 -9.875 10.102 1.00 0.00 H new ATOM 1183 N LYS A 71 -7.414 -7.439 13.832 1.00 0.00 N ATOM 1184 CA LYS A 71 -8.338 -6.813 14.804 1.00 0.00 C ATOM 1185 C LYS A 71 -9.373 -5.839 14.189 1.00 0.00 C ATOM 1186 O LYS A 71 -10.519 -5.803 14.627 1.00 0.00 O ATOM 1187 CB LYS A 71 -7.662 -5.997 15.968 1.00 0.00 C ATOM 1188 CG LYS A 71 -6.634 -6.716 16.863 1.00 0.00 C ATOM 1189 CD LYS A 71 -7.025 -8.165 17.164 1.00 0.00 C ATOM 1190 CE LYS A 71 -6.015 -9.013 17.947 1.00 0.00 C ATOM 1191 NZ LYS A 71 -6.692 -10.097 18.696 1.00 0.00 N ATOM 0 H LYS A 71 -6.435 -7.201 13.993 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.816 -7.712 15.194 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.169 -5.132 15.525 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.455 -5.617 16.612 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.660 -6.701 16.375 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.529 -6.170 17.800 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.962 -8.154 17.722 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.224 -8.665 16.216 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.287 -9.443 17.259 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.463 -8.378 18.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.984 -10.654 19.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.370 -9.684 19.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.198 -10.715 18.030 1.00 0.00 H new ATOM 1205 N TRP A 72 -8.977 -5.032 13.163 1.00 0.00 N ATOM 1206 CA TRP A 72 -9.857 -4.089 12.459 1.00 0.00 C ATOM 1207 C TRP A 72 -10.740 -4.739 11.383 1.00 0.00 C ATOM 1208 O TRP A 72 -11.959 -4.610 11.421 1.00 0.00 O ATOM 1209 CB TRP A 72 -9.066 -2.867 11.882 1.00 0.00 C ATOM 1210 CG TRP A 72 -9.903 -1.811 11.140 1.00 0.00 C ATOM 1211 CD1 TRP A 72 -10.688 -0.808 11.631 1.00 0.00 C ATOM 1212 CD2 TRP A 72 -10.125 -1.838 9.717 1.00 0.00 C ATOM 1213 NE1 TRP A 72 -11.386 -0.211 10.600 1.00 0.00 N ATOM 1214 CE2 TRP A 72 -11.047 -0.838 9.416 1.00 0.00 C ATOM 1215 CE3 TRP A 72 -9.621 -2.647 8.743 1.00 0.00 C ATOM 1216 CZ2 TRP A 72 -11.425 -0.588 8.121 1.00 0.00 C ATOM 1217 CZ3 TRP A 72 -10.007 -2.403 7.448 1.00 0.00 C ATOM 1218 CH2 TRP A 72 -10.864 -1.370 7.124 1.00 0.00 C ATOM 0 H TRP A 72 -8.021 -5.028 12.807 1.00 0.00 H new ATOM 0 HA TRP A 72 -10.542 -3.721 13.223 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -8.544 -2.376 12.704 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -8.304 -3.243 11.200 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -10.753 -0.524 12.671 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -12.042 0.564 10.696 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -8.942 -3.452 8.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -12.135 0.191 7.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -9.629 -3.038 6.660 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -11.098 -1.171 6.089 1.00 0.00 H new ATOM 1229 N LEU A 73 -10.157 -5.451 10.376 1.00 0.00 N ATOM 1230 CA LEU A 73 -10.844 -6.110 9.244 1.00 0.00 C ATOM 1231 C LEU A 73 -11.767 -7.255 9.580 1.00 0.00 C ATOM 1232 O LEU A 73 -12.841 -7.445 9.004 1.00 0.00 O ATOM 1233 CB LEU A 73 -9.806 -6.471 8.170 1.00 0.00 C ATOM 1234 CG LEU A 73 -10.013 -7.641 7.152 1.00 0.00 C ATOM 1235 CD1 LEU A 73 -10.310 -7.054 5.775 1.00 0.00 C ATOM 1236 CD2 LEU A 73 -8.732 -8.494 7.091 1.00 0.00 C ATOM 0 H LEU A 73 -9.146 -5.583 10.337 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.551 -5.376 8.857 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.645 -5.570 7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.874 -6.678 8.696 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.847 -8.268 7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.456 -7.862 5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.214 -6.447 5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.473 -6.433 5.456 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.872 -9.311 6.383 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.896 -7.873 6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.520 -8.903 8.079 1.00 0.00 H new ATOM 1248 N GLY A 74 -11.351 -8.025 10.622 1.00 0.00 N ATOM 1249 CA GLY A 74 -12.101 -9.076 11.314 1.00 0.00 C ATOM 1250 C GLY A 74 -13.390 -8.614 11.957 1.00 0.00 C ATOM 1251 O GLY A 74 -14.350 -9.347 12.168 1.00 0.00 O ATOM 0 H GLY A 74 -10.418 -7.909 11.017 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.330 -9.869 10.602 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.463 -9.512 12.083 1.00 0.00 H new ATOM 1255 N ARG A 75 -13.400 -7.313 12.323 1.00 0.00 N ATOM 1256 CA ARG A 75 -14.486 -6.618 13.010 1.00 0.00 C ATOM 1257 C ARG A 75 -15.602 -6.098 12.143 1.00 0.00 C ATOM 1258 O ARG A 75 -16.691 -5.785 12.621 1.00 0.00 O ATOM 1259 CB ARG A 75 -13.843 -5.441 13.745 1.00 0.00 C ATOM 1260 CG ARG A 75 -14.505 -5.011 15.060 1.00 0.00 C ATOM 1261 CD ARG A 75 -13.679 -3.936 15.779 1.00 0.00 C ATOM 1262 NE ARG A 75 -14.389 -3.552 17.048 1.00 0.00 N ATOM 1263 CZ ARG A 75 -13.891 -2.635 17.936 1.00 0.00 C ATOM 1264 NH1 ARG A 75 -12.699 -2.012 17.701 1.00 0.00 N ATOM 1265 NH2 ARG A 75 -14.597 -2.341 19.066 1.00 0.00 N ATOM 0 H ARG A 75 -12.608 -6.699 12.133 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.970 -7.350 13.657 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.804 -5.696 13.954 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.832 -4.584 13.072 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.505 -4.628 14.857 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.622 -5.878 15.711 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.681 -4.313 16.003 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.553 -3.064 15.137 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.284 -3.995 17.257 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.169 -2.227 16.857 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.339 -1.331 18.370 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.489 -2.803 19.245 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.233 -1.660 19.732 1.00 0.00 H new ATOM 1279 N GLU A 76 -15.338 -5.961 10.823 1.00 0.00 N ATOM 1280 CA GLU A 76 -16.256 -5.399 9.849 1.00 0.00 C ATOM 1281 C GLU A 76 -17.230 -6.418 9.309 1.00 0.00 C ATOM 1282 O GLU A 76 -18.248 -6.059 8.721 1.00 0.00 O ATOM 1283 CB GLU A 76 -15.457 -4.775 8.678 1.00 0.00 C ATOM 1284 CG GLU A 76 -14.612 -3.572 9.131 1.00 0.00 C ATOM 1285 CD GLU A 76 -13.889 -2.995 7.920 1.00 0.00 C ATOM 1286 OE1 GLU A 76 -14.281 -1.888 7.464 1.00 0.00 O ATOM 1287 OE2 GLU A 76 -12.936 -3.658 7.434 1.00 0.00 O ATOM 0 H GLU A 76 -14.451 -6.251 10.411 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.839 -4.635 10.362 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.805 -5.531 8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.148 -4.459 7.896 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.249 -2.814 9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.892 -3.881 9.889 1.00 0.00 H new ATOM 1294 N GLY A 77 -16.904 -7.739 9.469 1.00 0.00 N ATOM 1295 CA GLY A 77 -17.756 -8.786 8.905 1.00 0.00 C ATOM 1296 C GLY A 77 -17.326 -9.145 7.513 1.00 0.00 C ATOM 1297 O GLY A 77 -18.096 -9.671 6.721 1.00 0.00 O ATOM 0 H GLY A 77 -16.082 -8.076 9.970 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.717 -9.671 9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -18.792 -8.448 8.892 1.00 0.00 H new ATOM 1301 N LEU A 78 -16.025 -8.900 7.208 1.00 0.00 N ATOM 1302 CA LEU A 78 -15.398 -9.286 5.945 1.00 0.00 C ATOM 1303 C LEU A 78 -14.531 -10.466 6.158 1.00 0.00 C ATOM 1304 O LEU A 78 -14.459 -11.308 5.287 1.00 0.00 O ATOM 1305 CB LEU A 78 -14.508 -8.244 5.223 1.00 0.00 C ATOM 1306 CG LEU A 78 -15.101 -6.835 5.291 1.00 0.00 C ATOM 1307 CD1 LEU A 78 -13.975 -5.806 5.354 1.00 0.00 C ATOM 1308 CD2 LEU A 78 -16.089 -6.610 4.138 1.00 0.00 C ATOM 0 H LEU A 78 -15.388 -8.424 7.847 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.264 -9.451 5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.515 -8.241 5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.384 -8.535 4.180 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.684 -6.714 6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.400 -4.804 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.367 -5.985 6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.352 -5.893 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.501 -5.603 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.571 -6.730 3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.898 -7.337 4.205 1.00 0.00 H new ATOM 1320 N CYS A 79 -13.847 -10.575 7.309 1.00 0.00 N ATOM 1321 CA CYS A 79 -12.947 -11.692 7.609 1.00 0.00 C ATOM 1322 C CYS A 79 -13.073 -12.326 8.996 1.00 0.00 C ATOM 1323 O CYS A 79 -13.394 -11.683 9.984 1.00 0.00 O ATOM 1324 CB CYS A 79 -11.473 -11.308 7.357 1.00 0.00 C ATOM 1325 SG CYS A 79 -11.160 -10.506 5.743 1.00 0.00 S ATOM 0 H CYS A 79 -13.906 -9.886 8.058 1.00 0.00 H new ATOM 0 HA CYS A 79 -13.280 -12.462 6.914 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -11.145 -10.637 8.151 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.860 -12.207 7.426 1.00 0.00 H new ATOM 0 HG CYS A 79 -10.316 -11.221 5.060 1.00 0.00 H new ATOM 1331 N LYS A 80 -12.751 -13.636 9.112 1.00 0.00 N ATOM 1332 CA LYS A 80 -12.621 -14.410 10.336 1.00 0.00 C ATOM 1333 C LYS A 80 -11.133 -14.595 10.595 1.00 0.00 C ATOM 1334 O LYS A 80 -10.355 -14.705 9.662 1.00 0.00 O ATOM 1335 CB LYS A 80 -13.324 -15.790 10.218 1.00 0.00 C ATOM 1336 CG LYS A 80 -14.855 -15.698 10.242 1.00 0.00 C ATOM 1337 CD LYS A 80 -15.395 -14.988 11.500 1.00 0.00 C ATOM 1338 CE LYS A 80 -16.884 -15.241 11.784 1.00 0.00 C ATOM 1339 NZ LYS A 80 -17.145 -16.670 12.086 1.00 0.00 N ATOM 0 H LYS A 80 -12.565 -14.205 8.286 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.102 -13.883 11.160 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.011 -16.271 9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.993 -16.429 11.036 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.196 -15.163 9.355 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.275 -16.702 10.190 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.813 -15.312 12.363 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.236 -13.915 11.393 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.205 -14.626 12.625 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.477 -14.936 10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.080 -16.766 12.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.123 -17.221 11.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.415 -17.027 12.735 1.00 0.00 H new ATOM 1353 N VAL A 81 -10.644 -14.585 11.852 1.00 0.00 N ATOM 1354 CA VAL A 81 -9.224 -14.658 12.137 1.00 0.00 C ATOM 1355 C VAL A 81 -8.904 -15.735 13.145 1.00 0.00 C ATOM 1356 O VAL A 81 -9.621 -15.943 14.123 1.00 0.00 O ATOM 1357 CB VAL A 81 -8.695 -13.318 12.631 1.00 0.00 C ATOM 1358 CG1 VAL A 81 -9.764 -12.482 13.367 1.00 0.00 C ATOM 1359 CG2 VAL A 81 -8.152 -12.539 11.441 1.00 0.00 C ATOM 0 H VAL A 81 -11.231 -14.526 12.684 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.729 -14.913 11.200 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.907 -13.518 13.357 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.326 -11.539 13.695 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.596 -12.281 12.693 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.125 -13.035 14.234 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.769 -11.576 11.780 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.347 -13.105 10.973 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.951 -12.377 10.717 1.00 0.00 H new ATOM 1369 N ASP A 82 -7.744 -16.413 12.908 1.00 0.00 N ATOM 1370 CA ASP A 82 -7.163 -17.448 13.775 1.00 0.00 C ATOM 1371 C ASP A 82 -5.644 -17.267 13.829 1.00 0.00 C ATOM 1372 O ASP A 82 -5.045 -16.779 12.870 1.00 0.00 O ATOM 1373 CB ASP A 82 -7.460 -18.896 13.279 1.00 0.00 C ATOM 1374 CG ASP A 82 -8.963 -19.185 13.317 1.00 0.00 C ATOM 1375 OD1 ASP A 82 -9.534 -19.200 14.441 1.00 0.00 O ATOM 1376 OD2 ASP A 82 -9.557 -19.393 12.226 1.00 0.00 O ATOM 0 H ASP A 82 -7.179 -16.238 12.077 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.621 -17.328 14.757 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.086 -19.021 12.263 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.931 -19.615 13.904 1.00 0.00 H new ATOM 1381 N GLU A 83 -4.961 -17.658 14.949 1.00 0.00 N ATOM 1382 CA GLU A 83 -3.512 -17.515 15.107 1.00 0.00 C ATOM 1383 C GLU A 83 -2.827 -18.848 15.409 1.00 0.00 C ATOM 1384 O GLU A 83 -3.315 -19.689 16.165 1.00 0.00 O ATOM 1385 CB GLU A 83 -3.128 -16.435 16.151 1.00 0.00 C ATOM 1386 CG GLU A 83 -1.621 -16.090 16.162 1.00 0.00 C ATOM 1387 CD GLU A 83 -1.306 -14.894 17.060 1.00 0.00 C ATOM 1388 OE1 GLU A 83 -0.121 -14.463 17.055 1.00 0.00 O ATOM 1389 OE2 GLU A 83 -2.225 -14.398 17.765 1.00 0.00 O ATOM 0 H GLU A 83 -5.418 -18.080 15.758 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.141 -17.170 14.142 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.698 -15.528 15.949 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.420 -16.781 17.143 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.055 -16.957 16.503 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.292 -15.875 15.145 1.00 0.00 H new ATOM 1396 N THR A 84 -1.644 -19.016 14.763 1.00 0.00 N ATOM 1397 CA THR A 84 -0.706 -20.129 14.756 1.00 0.00 C ATOM 1398 C THR A 84 0.635 -19.654 15.241 1.00 0.00 C ATOM 1399 O THR A 84 0.829 -18.459 15.449 1.00 0.00 O ATOM 1400 CB THR A 84 -0.448 -20.640 13.302 1.00 0.00 C ATOM 1401 OG1 THR A 84 0.176 -19.714 12.420 1.00 0.00 O ATOM 1402 CG2 THR A 84 -1.751 -20.996 12.591 1.00 0.00 C ATOM 0 H THR A 84 -1.298 -18.268 14.163 1.00 0.00 H new ATOM 0 HA THR A 84 -1.135 -20.912 15.382 1.00 0.00 H new ATOM 0 HB THR A 84 0.213 -21.488 13.479 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.406 -19.554 11.648 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.531 -21.347 11.583 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.265 -21.782 13.145 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.389 -20.114 12.537 1.00 0.00 H new ATOM 1410 N PRO A 85 1.626 -20.557 15.372 1.00 0.00 N ATOM 1411 CA PRO A 85 3.004 -20.161 15.532 1.00 0.00 C ATOM 1412 C PRO A 85 3.723 -19.544 14.311 1.00 0.00 C ATOM 1413 O PRO A 85 4.896 -19.201 14.451 1.00 0.00 O ATOM 1414 CB PRO A 85 3.692 -21.455 15.999 1.00 0.00 C ATOM 1415 CG PRO A 85 2.586 -22.425 16.411 1.00 0.00 C ATOM 1416 CD PRO A 85 1.473 -22.015 15.469 1.00 0.00 C ATOM 0 HA PRO A 85 3.054 -19.325 16.229 1.00 0.00 H new ATOM 0 HB2 PRO A 85 4.299 -21.879 15.199 1.00 0.00 H new ATOM 0 HB3 PRO A 85 4.362 -21.256 16.836 1.00 0.00 H new ATOM 0 HG2 PRO A 85 2.879 -23.466 16.274 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.304 -22.308 17.457 1.00 0.00 H new ATOM 0 HD2 PRO A 85 1.574 -22.495 14.496 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.494 -22.291 15.860 1.00 0.00 H new ATOM 1424 N LYS A 86 3.073 -19.414 13.122 1.00 0.00 N ATOM 1425 CA LYS A 86 3.683 -18.915 11.908 1.00 0.00 C ATOM 1426 C LYS A 86 3.165 -17.548 11.464 1.00 0.00 C ATOM 1427 O LYS A 86 3.655 -16.978 10.489 1.00 0.00 O ATOM 1428 CB LYS A 86 3.393 -19.920 10.769 1.00 0.00 C ATOM 1429 CG LYS A 86 3.989 -21.303 11.057 1.00 0.00 C ATOM 1430 CD LYS A 86 3.983 -22.198 9.818 1.00 0.00 C ATOM 1431 CE LYS A 86 2.579 -22.626 9.365 1.00 0.00 C ATOM 1432 NZ LYS A 86 2.653 -23.497 8.168 1.00 0.00 N ATOM 0 H LYS A 86 2.091 -19.665 13.003 1.00 0.00 H new ATOM 0 HA LYS A 86 4.746 -18.803 12.119 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.316 -20.011 10.632 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.802 -19.536 9.834 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.011 -21.189 11.417 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.422 -21.783 11.854 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.473 -21.671 8.999 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.575 -23.090 10.023 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.077 -23.155 10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.980 -21.743 9.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.693 -23.774 7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.112 -22.981 7.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.206 -24.349 8.392 1.00 0.00 H new ATOM 1446 N GLY A 87 2.120 -16.997 12.135 1.00 0.00 N ATOM 1447 CA GLY A 87 1.480 -15.781 11.654 1.00 0.00 C ATOM 1448 C GLY A 87 0.039 -15.695 12.029 1.00 0.00 C ATOM 1449 O GLY A 87 -0.486 -16.475 12.822 1.00 0.00 O ATOM 0 H GLY A 87 1.721 -17.379 12.993 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.007 -14.916 12.056 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.571 -15.734 10.569 1.00 0.00 H new ATOM 1453 N TRP A 88 -0.668 -14.763 11.338 1.00 0.00 N ATOM 1454 CA TRP A 88 -2.117 -14.607 11.383 1.00 0.00 C ATOM 1455 C TRP A 88 -2.678 -15.155 10.068 1.00 0.00 C ATOM 1456 O TRP A 88 -2.237 -14.869 8.952 1.00 0.00 O ATOM 1457 CB TRP A 88 -2.602 -13.144 11.645 1.00 0.00 C ATOM 1458 CG TRP A 88 -2.557 -12.731 13.115 1.00 0.00 C ATOM 1459 CD1 TRP A 88 -1.467 -12.534 13.905 1.00 0.00 C ATOM 1460 CD2 TRP A 88 -3.702 -12.555 13.972 1.00 0.00 C ATOM 1461 NE1 TRP A 88 -1.857 -12.264 15.204 1.00 0.00 N ATOM 1462 CE2 TRP A 88 -3.233 -12.298 15.254 1.00 0.00 C ATOM 1463 CE3 TRP A 88 -5.037 -12.589 13.715 1.00 0.00 C ATOM 1464 CZ2 TRP A 88 -4.101 -12.114 16.290 1.00 0.00 C ATOM 1465 CZ3 TRP A 88 -5.909 -12.345 14.759 1.00 0.00 C ATOM 1466 CH2 TRP A 88 -5.449 -12.117 16.031 1.00 0.00 C ATOM 0 H TRP A 88 -0.217 -14.087 10.721 1.00 0.00 H new ATOM 0 HA TRP A 88 -2.493 -15.166 12.240 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -1.984 -12.458 11.066 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.624 -13.039 11.279 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -0.443 -12.582 13.566 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -1.234 -12.073 15.989 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -5.406 -12.801 12.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.734 -11.969 17.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.972 -12.334 14.570 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.151 -11.939 16.832 1.00 0.00 H new ATOM 1477 N TYR A 89 -3.714 -16.007 10.227 1.00 0.00 N ATOM 1478 CA TYR A 89 -4.428 -16.683 9.172 1.00 0.00 C ATOM 1479 C TYR A 89 -5.816 -16.124 9.280 1.00 0.00 C ATOM 1480 O TYR A 89 -6.436 -16.145 10.344 1.00 0.00 O ATOM 1481 CB TYR A 89 -4.415 -18.232 9.338 1.00 0.00 C ATOM 1482 CG TYR A 89 -2.999 -18.680 9.092 1.00 0.00 C ATOM 1483 CD1 TYR A 89 -2.622 -19.120 7.837 1.00 0.00 C ATOM 1484 CD2 TYR A 89 -2.019 -18.487 10.051 1.00 0.00 C ATOM 1485 CE1 TYR A 89 -1.290 -19.321 7.530 1.00 0.00 C ATOM 1486 CE2 TYR A 89 -0.688 -18.578 9.718 1.00 0.00 C ATOM 1487 CZ TYR A 89 -0.320 -19.009 8.463 1.00 0.00 C ATOM 1488 OH TYR A 89 1.049 -19.109 8.150 1.00 0.00 O ATOM 0 H TYR A 89 -4.078 -16.240 11.151 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.975 -16.519 8.194 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.743 -18.517 10.338 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.098 -18.703 8.632 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.377 -19.309 7.088 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.302 -18.263 11.069 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.009 -19.720 6.566 1.00 0.00 H new ATOM 0 HE2 TYR A 89 0.069 -18.311 10.441 1.00 0.00 H new ATOM 0 HH TYR A 89 1.583 -18.848 8.929 1.00 0.00 H new ATOM 1498 N ILE A 90 -6.309 -15.594 8.155 1.00 0.00 N ATOM 1499 CA ILE A 90 -7.605 -14.983 7.990 1.00 0.00 C ATOM 1500 C ILE A 90 -8.359 -15.856 7.011 1.00 0.00 C ATOM 1501 O ILE A 90 -7.844 -16.303 5.988 1.00 0.00 O ATOM 1502 CB ILE A 90 -7.567 -13.499 7.540 1.00 0.00 C ATOM 1503 CG1 ILE A 90 -7.574 -13.231 6.006 1.00 0.00 C ATOM 1504 CG2 ILE A 90 -6.355 -12.813 8.187 1.00 0.00 C ATOM 1505 CD1 ILE A 90 -7.509 -11.747 5.623 1.00 0.00 C ATOM 0 H ILE A 90 -5.769 -15.587 7.290 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.104 -14.931 8.957 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.513 -13.079 7.881 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.727 -13.748 5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.477 -13.665 5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.319 -11.769 7.877 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.443 -12.866 9.272 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.441 -13.316 7.872 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.518 -11.651 4.537 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.370 -11.225 6.041 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.592 -11.309 6.018 1.00 0.00 H new ATOM 1517 N GLN A 91 -9.639 -16.097 7.277 1.00 0.00 N ATOM 1518 CA GLN A 91 -10.566 -16.747 6.395 1.00 0.00 C ATOM 1519 C GLN A 91 -11.628 -15.716 6.223 1.00 0.00 C ATOM 1520 O GLN A 91 -12.226 -15.293 7.192 1.00 0.00 O ATOM 1521 CB GLN A 91 -11.107 -18.068 6.984 1.00 0.00 C ATOM 1522 CG GLN A 91 -12.485 -18.513 6.444 1.00 0.00 C ATOM 1523 CD GLN A 91 -12.573 -20.029 6.342 1.00 0.00 C ATOM 1524 OE1 GLN A 91 -12.645 -20.734 7.350 1.00 0.00 O ATOM 1525 NE2 GLN A 91 -12.560 -20.555 5.088 1.00 0.00 N ATOM 0 H GLN A 91 -10.066 -15.825 8.162 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.119 -17.057 5.451 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.384 -18.859 6.785 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.175 -17.963 8.067 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.272 -18.144 7.101 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.655 -18.069 5.463 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.499 -19.939 4.277 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -12.611 -21.565 4.958 1.00 0.00 H new ATOM 1534 N TYR A 92 -11.882 -15.267 4.987 1.00 0.00 N ATOM 1535 CA TYR A 92 -12.884 -14.278 4.628 1.00 0.00 C ATOM 1536 C TYR A 92 -14.321 -14.847 4.692 1.00 0.00 C ATOM 1537 O TYR A 92 -14.554 -16.036 4.513 1.00 0.00 O ATOM 1538 CB TYR A 92 -12.319 -13.399 3.459 1.00 0.00 C ATOM 1539 CG TYR A 92 -13.303 -12.720 2.546 1.00 0.00 C ATOM 1540 CD1 TYR A 92 -14.049 -13.463 1.672 1.00 0.00 C ATOM 1541 CD2 TYR A 92 -13.575 -11.375 2.659 1.00 0.00 C ATOM 1542 CE1 TYR A 92 -15.156 -12.953 1.035 1.00 0.00 C ATOM 1543 CE2 TYR A 92 -14.724 -10.857 2.121 1.00 0.00 C ATOM 1544 CZ TYR A 92 -15.495 -11.648 1.289 1.00 0.00 C ATOM 1545 OH TYR A 92 -16.708 -11.186 0.791 1.00 0.00 O ATOM 0 H TYR A 92 -11.364 -15.606 4.176 1.00 0.00 H new ATOM 0 HA TYR A 92 -13.078 -13.495 5.361 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -11.684 -12.629 3.897 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -11.677 -14.031 2.846 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -13.759 -14.485 1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.881 -10.727 3.173 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.739 -13.559 0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -15.024 -9.844 2.344 1.00 0.00 H new ATOM 0 HH TYR A 92 -16.850 -11.545 -0.110 1.00 0.00 H new ATOM 1555 N ILE A 93 -15.292 -13.975 5.055 1.00 0.00 N ATOM 1556 CA ILE A 93 -16.718 -14.094 5.292 1.00 0.00 C ATOM 1557 C ILE A 93 -17.344 -13.919 3.928 1.00 0.00 C ATOM 1558 O ILE A 93 -17.150 -12.859 3.344 1.00 0.00 O ATOM 1559 CB ILE A 93 -17.164 -12.854 6.116 1.00 0.00 C ATOM 1560 CG1 ILE A 93 -16.486 -12.702 7.507 1.00 0.00 C ATOM 1561 CG2 ILE A 93 -18.704 -12.647 6.145 1.00 0.00 C ATOM 1562 CD1 ILE A 93 -17.170 -13.252 8.734 1.00 0.00 C ATOM 0 H ILE A 93 -15.019 -13.005 5.210 1.00 0.00 H new ATOM 0 HA ILE A 93 -16.982 -15.025 5.793 1.00 0.00 H new ATOM 0 HB ILE A 93 -16.767 -12.013 5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -15.504 -13.170 7.444 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -16.321 -11.638 7.675 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -18.941 -11.764 6.738 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -19.072 -12.511 5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -19.180 -13.521 6.589 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -16.555 -13.056 9.612 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -18.140 -12.771 8.856 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -17.310 -14.327 8.621 1.00 0.00 H new ATOM 1574 N ASP A 94 -18.121 -14.876 3.339 1.00 0.00 N ATOM 1575 CA ASP A 94 -18.724 -14.642 2.015 1.00 0.00 C ATOM 1576 C ASP A 94 -20.012 -13.879 2.123 1.00 0.00 C ATOM 1577 O ASP A 94 -21.112 -14.426 2.135 1.00 0.00 O ATOM 1578 CB ASP A 94 -18.856 -15.783 0.957 1.00 0.00 C ATOM 1579 CG ASP A 94 -19.302 -17.143 1.508 1.00 0.00 C ATOM 1580 OD1 ASP A 94 -20.371 -17.207 2.170 1.00 0.00 O ATOM 1581 OD2 ASP A 94 -18.583 -18.144 1.252 1.00 0.00 O ATOM 0 H ASP A 94 -18.333 -15.784 3.753 1.00 0.00 H new ATOM 0 HA ASP A 94 -17.914 -14.064 1.570 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -19.568 -15.468 0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -17.893 -15.909 0.461 1.00 0.00 H new ATOM 1586 N ARG A 95 -19.814 -12.540 2.164 1.00 0.00 N ATOM 1587 CA ARG A 95 -20.682 -11.372 2.175 1.00 0.00 C ATOM 1588 C ARG A 95 -22.056 -11.557 1.505 1.00 0.00 C ATOM 1589 O ARG A 95 -22.960 -12.181 2.057 1.00 0.00 O ATOM 1590 CB ARG A 95 -19.787 -10.287 1.559 1.00 0.00 C ATOM 1591 CG ARG A 95 -18.701 -9.846 2.568 1.00 0.00 C ATOM 1592 CD ARG A 95 -19.202 -8.842 3.605 1.00 0.00 C ATOM 1593 NE ARG A 95 -19.575 -7.550 2.931 1.00 0.00 N ATOM 1594 CZ ARG A 95 -19.891 -6.414 3.628 1.00 0.00 C ATOM 1595 NH1 ARG A 95 -19.881 -6.404 4.992 1.00 0.00 N ATOM 1596 NH2 ARG A 95 -20.213 -5.276 2.945 1.00 0.00 N ATOM 0 H ARG A 95 -18.848 -12.215 2.196 1.00 0.00 H new ATOM 0 HA ARG A 95 -21.023 -11.115 3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -19.317 -10.667 0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -20.393 -9.429 1.269 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -18.316 -10.726 3.083 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -17.867 -9.406 2.022 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -20.065 -9.250 4.131 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -18.429 -8.662 4.352 1.00 0.00 H new ATOM 0 HE ARG A 95 -19.593 -7.519 1.912 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -19.636 -7.250 5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -20.119 -5.551 5.498 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -20.217 -5.277 1.925 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -20.450 -4.425 3.455 1.00 0.00 H new ATOM 1610 N ASP A 96 -22.232 -11.079 0.255 1.00 0.00 N ATOM 1611 CA ASP A 96 -23.339 -11.493 -0.610 1.00 0.00 C ATOM 1612 C ASP A 96 -22.729 -12.484 -1.605 1.00 0.00 C ATOM 1613 O ASP A 96 -21.826 -12.009 -2.289 1.00 0.00 O ATOM 1614 CB ASP A 96 -24.004 -10.298 -1.348 1.00 0.00 C ATOM 1615 CG ASP A 96 -25.485 -10.560 -1.666 1.00 0.00 C ATOM 1616 OD1 ASP A 96 -25.765 -11.463 -2.494 1.00 0.00 O ATOM 1617 OD2 ASP A 96 -26.347 -9.852 -1.081 1.00 0.00 O ATOM 0 H ASP A 96 -21.608 -10.397 -0.175 1.00 0.00 H new ATOM 0 HA ASP A 96 -24.140 -11.939 -0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -23.920 -9.402 -0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -23.465 -10.101 -2.275 1.00 0.00 H new ATOM 1622 N PRO A 97 -23.078 -13.778 -1.826 1.00 0.00 N ATOM 1623 CA PRO A 97 -22.419 -14.736 -2.750 1.00 0.00 C ATOM 1624 C PRO A 97 -22.287 -14.312 -4.209 1.00 0.00 C ATOM 1625 O PRO A 97 -21.310 -14.677 -4.861 1.00 0.00 O ATOM 1626 CB PRO A 97 -23.247 -16.011 -2.615 1.00 0.00 C ATOM 1627 CG PRO A 97 -23.739 -15.947 -1.171 1.00 0.00 C ATOM 1628 CD PRO A 97 -24.018 -14.457 -0.952 1.00 0.00 C ATOM 0 HA PRO A 97 -21.372 -14.838 -2.464 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -24.075 -16.032 -3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -22.648 -16.903 -2.799 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -24.636 -16.549 -1.026 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -22.989 -16.321 -0.475 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -25.048 -14.205 -1.205 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -23.867 -14.174 0.090 1.00 0.00 H new ATOM 1636 N GLU A 98 -23.192 -13.405 -4.678 1.00 0.00 N ATOM 1637 CA GLU A 98 -23.175 -12.644 -5.925 1.00 0.00 C ATOM 1638 C GLU A 98 -21.866 -11.876 -6.072 1.00 0.00 C ATOM 1639 O GLU A 98 -21.221 -11.985 -7.096 1.00 0.00 O ATOM 1640 CB GLU A 98 -24.368 -11.654 -5.944 1.00 0.00 C ATOM 1641 CG GLU A 98 -25.682 -12.216 -6.531 1.00 0.00 C ATOM 1642 CD GLU A 98 -26.170 -13.476 -5.817 1.00 0.00 C ATOM 1643 OE1 GLU A 98 -26.326 -14.517 -6.512 1.00 0.00 O ATOM 1644 OE2 GLU A 98 -26.410 -13.416 -4.582 1.00 0.00 O ATOM 0 H GLU A 98 -24.021 -13.181 -4.128 1.00 0.00 H new ATOM 0 HA GLU A 98 -23.262 -13.340 -6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -24.558 -11.320 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -24.080 -10.774 -6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -26.455 -11.450 -6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -25.534 -12.439 -7.588 1.00 0.00 H new ATOM 1651 N THR A 99 -21.359 -11.191 -5.001 1.00 0.00 N ATOM 1652 CA THR A 99 -20.068 -10.472 -4.941 1.00 0.00 C ATOM 1653 C THR A 99 -18.846 -11.348 -5.254 1.00 0.00 C ATOM 1654 O THR A 99 -18.035 -10.961 -6.081 1.00 0.00 O ATOM 1655 CB THR A 99 -19.901 -9.712 -3.591 1.00 0.00 C ATOM 1656 OG1 THR A 99 -20.352 -8.364 -3.684 1.00 0.00 O ATOM 1657 CG2 THR A 99 -18.505 -9.737 -2.915 1.00 0.00 C ATOM 0 H THR A 99 -21.871 -11.129 -4.121 1.00 0.00 H new ATOM 0 HA THR A 99 -20.107 -9.737 -5.745 1.00 0.00 H new ATOM 0 HB THR A 99 -20.536 -10.302 -2.930 1.00 0.00 H new ATOM 0 HG1 THR A 99 -20.234 -7.919 -2.819 1.00 0.00 H new ATOM 0 HG21 THR A 99 -18.540 -9.168 -1.986 1.00 0.00 H new ATOM 0 HG22 THR A 99 -18.224 -10.768 -2.698 1.00 0.00 H new ATOM 0 HG23 THR A 99 -17.768 -9.293 -3.585 1.00 0.00 H new ATOM 1665 N ILE A 100 -18.737 -12.566 -4.648 1.00 0.00 N ATOM 1666 CA ILE A 100 -17.756 -13.647 -4.794 1.00 0.00 C ATOM 1667 C ILE A 100 -17.850 -14.283 -6.187 1.00 0.00 C ATOM 1668 O ILE A 100 -16.866 -14.349 -6.909 1.00 0.00 O ATOM 1669 CB ILE A 100 -18.144 -14.622 -3.684 1.00 0.00 C ATOM 1670 CG1 ILE A 100 -17.854 -13.952 -2.313 1.00 0.00 C ATOM 1671 CG2 ILE A 100 -17.343 -15.942 -3.790 1.00 0.00 C ATOM 1672 CD1 ILE A 100 -19.004 -13.266 -1.565 1.00 0.00 C ATOM 0 H ILE A 100 -19.437 -12.832 -3.956 1.00 0.00 H new ATOM 0 HA ILE A 100 -16.721 -13.315 -4.708 1.00 0.00 H new ATOM 0 HB ILE A 100 -19.203 -14.862 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -17.441 -14.716 -1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -17.072 -13.209 -2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -17.642 -16.615 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.545 -16.414 -4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -16.277 -15.729 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -18.632 -12.851 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -19.412 -12.464 -2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -19.786 -13.995 -1.354 1.00 0.00 H new ATOM 1684 N ARG A 101 -19.058 -14.679 -6.672 1.00 0.00 N ATOM 1685 CA ARG A 101 -19.277 -15.253 -8.011 1.00 0.00 C ATOM 1686 C ARG A 101 -19.075 -14.235 -9.149 1.00 0.00 C ATOM 1687 O ARG A 101 -18.476 -14.548 -10.177 1.00 0.00 O ATOM 1688 CB ARG A 101 -20.639 -15.994 -8.102 1.00 0.00 C ATOM 1689 CG ARG A 101 -20.756 -17.180 -7.113 1.00 0.00 C ATOM 1690 CD ARG A 101 -21.894 -18.156 -7.454 1.00 0.00 C ATOM 1691 NE ARG A 101 -23.221 -17.530 -7.108 1.00 0.00 N ATOM 1692 CZ ARG A 101 -23.924 -17.816 -5.966 1.00 0.00 C ATOM 1693 NH1 ARG A 101 -23.443 -18.694 -5.038 1.00 0.00 N ATOM 1694 NH2 ARG A 101 -25.129 -17.212 -5.749 1.00 0.00 N ATOM 0 H ARG A 101 -19.917 -14.603 -6.127 1.00 0.00 H new ATOM 0 HA ARG A 101 -18.498 -16.001 -8.156 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -21.444 -15.286 -7.907 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -20.778 -16.362 -9.119 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -19.812 -17.726 -7.100 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -20.913 -16.790 -6.107 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -21.865 -18.407 -8.514 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -21.765 -19.087 -6.902 1.00 0.00 H new ATOM 0 HE ARG A 101 -23.619 -16.855 -7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -22.544 -19.152 -5.187 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -23.983 -18.892 -4.195 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -25.500 -16.553 -6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -25.658 -17.419 -4.902 1.00 0.00 H new ATOM 1708 N ARG A 102 -19.445 -12.932 -8.905 1.00 0.00 N ATOM 1709 CA ARG A 102 -19.131 -11.767 -9.752 1.00 0.00 C ATOM 1710 C ARG A 102 -17.633 -11.484 -9.770 1.00 0.00 C ATOM 1711 O ARG A 102 -17.063 -11.147 -10.798 1.00 0.00 O ATOM 1712 CB ARG A 102 -19.907 -10.491 -9.385 1.00 0.00 C ATOM 1713 CG ARG A 102 -21.389 -10.650 -9.755 1.00 0.00 C ATOM 1714 CD ARG A 102 -22.234 -9.409 -9.493 1.00 0.00 C ATOM 1715 NE ARG A 102 -22.113 -9.013 -8.047 1.00 0.00 N ATOM 1716 CZ ARG A 102 -22.874 -8.033 -7.465 1.00 0.00 C ATOM 1717 NH1 ARG A 102 -23.784 -7.326 -8.195 1.00 0.00 N ATOM 1718 NH2 ARG A 102 -22.721 -7.770 -6.133 1.00 0.00 N ATOM 0 H ARG A 102 -19.988 -12.675 -8.080 1.00 0.00 H new ATOM 0 HA ARG A 102 -19.462 -12.048 -10.752 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -19.810 -10.291 -8.318 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -19.483 -9.635 -9.909 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -21.463 -10.910 -10.811 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -21.805 -11.485 -9.192 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -21.905 -8.591 -10.133 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -23.277 -9.608 -9.740 1.00 0.00 H new ATOM 0 HE ARG A 102 -21.428 -9.500 -7.469 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -23.905 -7.524 -9.188 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -24.343 -6.600 -7.748 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -22.046 -8.301 -5.583 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -23.282 -7.043 -5.689 1.00 0.00 H new ATOM 1732 N GLN A 103 -16.957 -11.756 -8.623 1.00 0.00 N ATOM 1733 CA GLN A 103 -15.502 -11.796 -8.477 1.00 0.00 C ATOM 1734 C GLN A 103 -14.789 -12.858 -9.268 1.00 0.00 C ATOM 1735 O GLN A 103 -13.936 -12.531 -10.086 1.00 0.00 O ATOM 1736 CB GLN A 103 -15.056 -11.660 -7.018 1.00 0.00 C ATOM 1737 CG GLN A 103 -14.369 -10.296 -6.799 1.00 0.00 C ATOM 1738 CD GLN A 103 -15.312 -9.109 -6.997 1.00 0.00 C ATOM 1739 OE1 GLN A 103 -15.194 -8.357 -7.965 1.00 0.00 O ATOM 1740 NE2 GLN A 103 -16.224 -8.968 -6.013 1.00 0.00 N ATOM 0 H GLN A 103 -17.442 -11.959 -7.749 1.00 0.00 H new ATOM 0 HA GLN A 103 -15.151 -10.893 -8.977 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -15.917 -11.753 -6.356 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.369 -12.467 -6.763 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.958 -10.261 -5.790 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -13.530 -10.204 -7.488 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -16.253 -9.638 -5.245 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -16.884 -8.191 -6.037 1.00 0.00 H new ATOM 1749 N LEU A 104 -15.093 -14.151 -9.057 1.00 0.00 N ATOM 1750 CA LEU A 104 -14.406 -15.253 -9.708 1.00 0.00 C ATOM 1751 C LEU A 104 -14.680 -15.409 -11.210 1.00 0.00 C ATOM 1752 O LEU A 104 -13.791 -15.730 -11.991 1.00 0.00 O ATOM 1753 CB LEU A 104 -14.554 -16.635 -9.003 1.00 0.00 C ATOM 1754 CG LEU A 104 -15.181 -16.807 -7.602 1.00 0.00 C ATOM 1755 CD1 LEU A 104 -15.298 -18.308 -7.249 1.00 0.00 C ATOM 1756 CD2 LEU A 104 -14.427 -16.095 -6.481 1.00 0.00 C ATOM 0 H LEU A 104 -15.832 -14.451 -8.421 1.00 0.00 H new ATOM 0 HA LEU A 104 -13.369 -14.934 -9.599 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -15.132 -17.266 -9.679 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -13.552 -17.061 -8.947 1.00 0.00 H new ATOM 0 HG LEU A 104 -16.163 -16.339 -7.668 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -15.741 -18.415 -6.259 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -15.928 -18.807 -7.985 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.307 -18.761 -7.254 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.936 -16.269 -5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -13.410 -16.483 -6.423 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.396 -15.025 -6.686 1.00 0.00 H new ATOM 1768 N GLU A 105 -15.950 -15.185 -11.648 1.00 0.00 N ATOM 1769 CA GLU A 105 -16.382 -15.311 -13.036 1.00 0.00 C ATOM 1770 C GLU A 105 -16.085 -14.091 -13.911 1.00 0.00 C ATOM 1771 O GLU A 105 -15.590 -14.233 -15.019 1.00 0.00 O ATOM 1772 CB GLU A 105 -17.895 -15.661 -13.128 1.00 0.00 C ATOM 1773 CG GLU A 105 -18.250 -16.963 -12.385 1.00 0.00 C ATOM 1774 CD GLU A 105 -19.750 -17.236 -12.508 1.00 0.00 C ATOM 1775 OE1 GLU A 105 -20.547 -16.402 -11.999 1.00 0.00 O ATOM 1776 OE2 GLU A 105 -20.116 -18.281 -13.108 1.00 0.00 O ATOM 0 H GLU A 105 -16.704 -14.907 -11.020 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.782 -16.130 -13.434 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -18.480 -14.840 -12.713 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -18.179 -15.757 -14.176 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -17.684 -17.796 -12.801 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -17.971 -16.881 -11.335 1.00 0.00 H new