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 41 HIS : no HE2:sc= -2.73 X(o=-5.3,f=-5.6!) USER MOD Set 1.2: A 43 ASN : amide:sc= -2.58 K(o=-5.3,f=-6.3!) USER MOD Set 2.1: A 16 MET CE :methyl -118:sc= -2.15 (180deg=-3.82) USER MOD Set 2.2: A 20 SER OG : rot 118:sc= 0.327 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.11 K(o=1.1,f=-0.14) USER MOD Single : A 37 THR OG1 : rot 44:sc= 0.346 USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0317) USER MOD Single : A 42 ASN : amide:sc= -3.94! C(o=-3.9!,f=-11!) USER MOD Single : A 46 TYR OH : rot -97:sc= 1.18 USER MOD Single : A 47 ASN : amide:sc= -1.87! K(o=-1.9!,f=-1.3) USER MOD Single : A 49 TYR OH : rot 76:sc= -0.156! USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc=-0.00113 X(o=-0.0011,f=-0.013) USER MOD Single : A 55 HIS : no HD1:sc= -2.51! K(o=-2.5!,f=-0.47) USER MOD Single : A 57 HIS : no HD1:sc= -0.386 X(o=-0.39,f=-0.65) USER MOD Single : A 58 MET CE :methyl -135:sc= -4.08! (180deg=-7.25!) USER MOD Single : A 59 ASN : amide:sc= -0.868 K(o=-0.87,f=0) USER MOD Single : A 61 THR OG1 : rot -153:sc= 2.02 USER MOD Single : A 62 GLN : amide:sc= -0.379 K(o=-0.38,f=-2!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -62:sc= 1.88 USER MOD Single : A 70 THR OG1 : rot -66:sc= 0.613 USER MOD Single : A 71 LYS NZ :NH3+ -120:sc= -0.836 (180deg=-3.73!) USER MOD Single : A 79 CYS SG : rot 28:sc= -2.49 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -120:sc= 1.54 USER MOD Single : A 86 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.458) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.0101 USER MOD Single : A 99 THR OG1 : rot 140:sc= 0.0645 USER MOD Single : A 103 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 241 N MET A 16 -4.682 6.687 6.786 1.00 0.00 N ATOM 242 CA MET A 16 -5.486 5.456 6.917 1.00 0.00 C ATOM 243 C MET A 16 -6.831 5.592 6.212 1.00 0.00 C ATOM 244 O MET A 16 -7.409 4.624 5.732 1.00 0.00 O ATOM 245 CB MET A 16 -5.691 4.959 8.375 1.00 0.00 C ATOM 246 CG MET A 16 -6.047 3.447 8.511 1.00 0.00 C ATOM 247 SD MET A 16 -7.804 3.017 8.795 1.00 0.00 S ATOM 248 CE MET A 16 -7.654 1.198 8.922 1.00 0.00 C ATOM 0 HA MET A 16 -4.889 4.689 6.425 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.780 5.155 8.941 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.485 5.547 8.835 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.719 2.941 7.603 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.462 3.036 9.334 1.00 0.00 H new ATOM 0 HE1 MET A 16 -8.227 0.729 8.122 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.606 0.912 8.833 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.040 0.868 9.886 1.00 0.00 H new ATOM 258 N ASP A 17 -7.336 6.846 6.024 1.00 0.00 N ATOM 259 CA ASP A 17 -8.524 7.135 5.204 1.00 0.00 C ATOM 260 C ASP A 17 -8.233 7.020 3.697 1.00 0.00 C ATOM 261 O ASP A 17 -9.009 6.447 2.940 1.00 0.00 O ATOM 262 CB ASP A 17 -9.232 8.474 5.591 1.00 0.00 C ATOM 263 CG ASP A 17 -8.284 9.672 5.754 1.00 0.00 C ATOM 264 OD1 ASP A 17 -7.709 10.136 4.735 1.00 0.00 O ATOM 265 OD2 ASP A 17 -8.146 10.148 6.913 1.00 0.00 O ATOM 0 H ASP A 17 -6.921 7.678 6.443 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.248 6.354 5.437 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.971 8.713 4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.775 8.327 6.525 1.00 0.00 H new ATOM 270 N TYR A 18 -7.058 7.536 3.237 1.00 0.00 N ATOM 271 CA TYR A 18 -6.524 7.380 1.888 1.00 0.00 C ATOM 272 C TYR A 18 -6.003 5.966 1.530 1.00 0.00 C ATOM 273 O TYR A 18 -6.439 5.374 0.542 1.00 0.00 O ATOM 274 CB TYR A 18 -5.401 8.457 1.707 1.00 0.00 C ATOM 275 CG TYR A 18 -4.878 8.605 0.292 1.00 0.00 C ATOM 276 CD1 TYR A 18 -5.711 8.995 -0.742 1.00 0.00 C ATOM 277 CD2 TYR A 18 -3.546 8.344 0.009 1.00 0.00 C ATOM 278 CE1 TYR A 18 -5.221 9.133 -2.028 1.00 0.00 C ATOM 279 CE2 TYR A 18 -3.057 8.477 -1.275 1.00 0.00 C ATOM 280 CZ TYR A 18 -3.892 8.881 -2.296 1.00 0.00 C ATOM 281 OH TYR A 18 -3.405 9.045 -3.612 1.00 0.00 O ATOM 0 H TYR A 18 -6.446 8.092 3.835 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.351 7.523 1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.786 9.421 2.039 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.567 8.204 2.362 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.754 9.194 -0.543 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.883 8.033 0.803 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.882 9.439 -2.825 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.018 8.264 -1.481 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.449 8.830 -3.636 1.00 0.00 H new ATOM 291 N PHE A 19 -5.071 5.363 2.335 1.00 0.00 N ATOM 292 CA PHE A 19 -4.469 4.045 2.100 1.00 0.00 C ATOM 293 C PHE A 19 -5.368 2.860 2.389 1.00 0.00 C ATOM 294 O PHE A 19 -5.448 1.953 1.569 1.00 0.00 O ATOM 295 CB PHE A 19 -3.047 3.903 2.726 1.00 0.00 C ATOM 296 CG PHE A 19 -2.049 4.840 2.056 1.00 0.00 C ATOM 297 CD1 PHE A 19 -1.160 5.584 2.821 1.00 0.00 C ATOM 298 CD2 PHE A 19 -1.938 4.937 0.672 1.00 0.00 C ATOM 299 CE1 PHE A 19 -0.190 6.377 2.234 1.00 0.00 C ATOM 300 CE2 PHE A 19 -0.987 5.745 0.082 1.00 0.00 C ATOM 301 CZ PHE A 19 -0.108 6.466 0.859 1.00 0.00 C ATOM 0 H PHE A 19 -4.721 5.808 3.183 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.337 4.009 1.019 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.094 4.121 3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.705 2.873 2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.227 5.543 3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.610 4.368 0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.504 6.927 2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.932 5.812 -0.995 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.638 7.095 0.397 1.00 0.00 H new ATOM 311 N SER A 20 -6.129 2.859 3.529 1.00 0.00 N ATOM 312 CA SER A 20 -7.102 1.806 3.890 1.00 0.00 C ATOM 313 C SER A 20 -8.355 1.736 3.021 1.00 0.00 C ATOM 314 O SER A 20 -8.911 0.651 2.865 1.00 0.00 O ATOM 315 CB SER A 20 -7.445 1.600 5.389 1.00 0.00 C ATOM 316 OG SER A 20 -7.975 0.288 5.626 1.00 0.00 O ATOM 0 H SER A 20 -6.074 3.604 4.223 1.00 0.00 H new ATOM 0 HA SER A 20 -6.482 0.944 3.643 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.550 1.748 5.993 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.170 2.350 5.705 1.00 0.00 H new ATOM 0 HG SER A 20 -7.379 -0.201 6.231 1.00 0.00 H new ATOM 322 N GLU A 21 -8.837 2.872 2.426 1.00 0.00 N ATOM 323 CA GLU A 21 -9.945 2.927 1.464 1.00 0.00 C ATOM 324 C GLU A 21 -9.551 2.301 0.127 1.00 0.00 C ATOM 325 O GLU A 21 -10.324 1.568 -0.482 1.00 0.00 O ATOM 326 CB GLU A 21 -10.431 4.379 1.266 1.00 0.00 C ATOM 327 CG GLU A 21 -11.689 4.551 0.392 1.00 0.00 C ATOM 328 CD GLU A 21 -12.089 6.026 0.361 1.00 0.00 C ATOM 329 OE1 GLU A 21 -12.412 6.577 1.448 1.00 0.00 O ATOM 330 OE2 GLU A 21 -12.080 6.621 -0.750 1.00 0.00 O ATOM 0 H GLU A 21 -8.442 3.792 2.620 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.769 2.344 1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.630 4.812 2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.620 4.956 0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.494 4.195 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.506 3.950 0.790 1.00 0.00 H new ATOM 337 N GLU A 22 -8.276 2.527 -0.308 1.00 0.00 N ATOM 338 CA GLU A 22 -7.650 1.867 -1.453 1.00 0.00 C ATOM 339 C GLU A 22 -7.247 0.419 -1.169 1.00 0.00 C ATOM 340 O GLU A 22 -7.606 -0.491 -1.915 1.00 0.00 O ATOM 341 CB GLU A 22 -6.420 2.660 -1.935 1.00 0.00 C ATOM 342 CG GLU A 22 -6.766 4.019 -2.576 1.00 0.00 C ATOM 343 CD GLU A 22 -7.559 3.815 -3.866 1.00 0.00 C ATOM 344 OE1 GLU A 22 -7.006 3.188 -4.810 1.00 0.00 O ATOM 345 OE2 GLU A 22 -8.726 4.284 -3.925 1.00 0.00 O ATOM 0 H GLU A 22 -7.655 3.193 0.152 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.407 1.844 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.753 2.827 -1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.872 2.057 -2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.346 4.621 -1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.851 4.571 -2.788 1.00 0.00 H new ATOM 352 N PHE A 23 -6.529 0.166 -0.033 1.00 0.00 N ATOM 353 CA PHE A 23 -6.067 -1.137 0.424 1.00 0.00 C ATOM 354 C PHE A 23 -7.199 -2.103 0.745 1.00 0.00 C ATOM 355 O PHE A 23 -7.156 -3.191 0.206 1.00 0.00 O ATOM 356 CB PHE A 23 -4.958 -1.049 1.525 1.00 0.00 C ATOM 357 CG PHE A 23 -4.492 -2.383 2.068 1.00 0.00 C ATOM 358 CD1 PHE A 23 -3.955 -3.346 1.236 1.00 0.00 C ATOM 359 CD2 PHE A 23 -4.698 -2.701 3.394 1.00 0.00 C ATOM 360 CE1 PHE A 23 -3.650 -4.600 1.714 1.00 0.00 C ATOM 361 CE2 PHE A 23 -4.347 -3.933 3.886 1.00 0.00 C ATOM 362 CZ PHE A 23 -3.840 -4.901 3.046 1.00 0.00 C ATOM 0 H PHE A 23 -6.256 0.915 0.603 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.565 -1.588 -0.432 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.098 -0.521 1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.335 -0.448 2.353 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.772 -3.112 0.198 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.142 -1.970 4.054 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.260 -5.351 1.043 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.469 -4.145 4.938 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.595 -5.882 3.426 1.00 0.00 H new ATOM 372 N ARG A 24 -8.279 -1.769 1.520 1.00 0.00 N ATOM 373 CA ARG A 24 -9.410 -2.693 1.696 1.00 0.00 C ATOM 374 C ARG A 24 -10.243 -2.889 0.437 1.00 0.00 C ATOM 375 O ARG A 24 -10.708 -3.989 0.219 1.00 0.00 O ATOM 376 CB ARG A 24 -10.254 -2.464 2.966 1.00 0.00 C ATOM 377 CG ARG A 24 -11.279 -3.585 3.309 1.00 0.00 C ATOM 378 CD ARG A 24 -11.005 -4.057 4.737 1.00 0.00 C ATOM 379 NE ARG A 24 -11.735 -5.296 5.136 1.00 0.00 N ATOM 380 CZ ARG A 24 -12.172 -5.487 6.420 1.00 0.00 C ATOM 381 NH1 ARG A 24 -12.318 -4.451 7.287 1.00 0.00 N ATOM 382 NH2 ARG A 24 -12.552 -6.722 6.834 1.00 0.00 N ATOM 0 H ARG A 24 -8.375 -0.883 2.016 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.927 -3.653 1.878 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.578 -2.345 3.812 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.795 -1.524 2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.298 -3.209 3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.184 -4.415 2.609 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.935 -4.231 4.849 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.272 -3.257 5.427 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.913 -6.017 4.437 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.100 -3.501 6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.646 -4.624 8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.513 -7.511 6.189 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.877 -6.862 7.791 1.00 0.00 H new ATOM 396 N ASN A 25 -10.356 -1.903 -0.505 1.00 0.00 N ATOM 397 CA ASN A 25 -10.983 -2.125 -1.822 1.00 0.00 C ATOM 398 C ASN A 25 -10.197 -3.050 -2.745 1.00 0.00 C ATOM 399 O ASN A 25 -10.733 -4.035 -3.236 1.00 0.00 O ATOM 400 CB ASN A 25 -11.199 -0.792 -2.575 1.00 0.00 C ATOM 401 CG ASN A 25 -12.604 -0.331 -2.237 1.00 0.00 C ATOM 402 OD1 ASN A 25 -13.577 -0.931 -2.700 1.00 0.00 O ATOM 403 ND2 ASN A 25 -12.717 0.741 -1.419 1.00 0.00 N ATOM 0 H ASN A 25 -10.017 -0.951 -0.364 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.932 -2.606 -1.585 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.462 -0.049 -2.269 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.084 -0.930 -3.650 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -13.640 1.088 -1.158 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.879 1.202 -1.063 1.00 0.00 H new ATOM 410 N ASP A 26 -8.882 -2.798 -2.960 1.00 0.00 N ATOM 411 CA ASP A 26 -8.013 -3.636 -3.794 1.00 0.00 C ATOM 412 C ASP A 26 -7.682 -5.009 -3.194 1.00 0.00 C ATOM 413 O ASP A 26 -7.722 -6.000 -3.913 1.00 0.00 O ATOM 414 CB ASP A 26 -6.730 -2.893 -4.231 1.00 0.00 C ATOM 415 CG ASP A 26 -7.072 -1.654 -5.068 1.00 0.00 C ATOM 416 OD1 ASP A 26 -6.620 -0.539 -4.693 1.00 0.00 O ATOM 417 OD2 ASP A 26 -7.774 -1.813 -6.102 1.00 0.00 O ATOM 0 H ASP A 26 -8.399 -1.998 -2.551 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.609 -3.842 -4.683 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.160 -2.596 -3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.096 -3.564 -4.810 1.00 0.00 H new ATOM 422 N PHE A 27 -7.459 -5.099 -1.845 1.00 0.00 N ATOM 423 CA PHE A 27 -7.254 -6.307 -1.035 1.00 0.00 C ATOM 424 C PHE A 27 -8.513 -7.145 -0.964 1.00 0.00 C ATOM 425 O PHE A 27 -8.437 -8.333 -1.256 1.00 0.00 O ATOM 426 CB PHE A 27 -6.805 -5.953 0.412 1.00 0.00 C ATOM 427 CG PHE A 27 -6.349 -7.063 1.313 1.00 0.00 C ATOM 428 CD1 PHE A 27 -5.051 -7.512 1.242 1.00 0.00 C ATOM 429 CD2 PHE A 27 -7.176 -7.541 2.313 1.00 0.00 C ATOM 430 CE1 PHE A 27 -4.570 -8.378 2.199 1.00 0.00 C ATOM 431 CE2 PHE A 27 -6.727 -8.481 3.211 1.00 0.00 C ATOM 432 CZ PHE A 27 -5.419 -8.898 3.153 1.00 0.00 C ATOM 0 H PHE A 27 -7.418 -4.258 -1.270 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.467 -6.880 -1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.992 -5.230 0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.637 -5.448 0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.410 -7.186 0.437 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.188 -7.171 2.390 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.525 -8.651 2.202 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.396 -8.888 3.955 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.056 -9.634 3.855 1.00 0.00 H new ATOM 442 N LEU A 28 -9.725 -6.555 -0.667 1.00 0.00 N ATOM 443 CA LEU A 28 -10.994 -7.269 -0.723 1.00 0.00 C ATOM 444 C LEU A 28 -11.379 -7.683 -2.128 1.00 0.00 C ATOM 445 O LEU A 28 -11.847 -8.799 -2.269 1.00 0.00 O ATOM 446 CB LEU A 28 -12.153 -6.644 0.064 1.00 0.00 C ATOM 447 CG LEU A 28 -12.202 -7.054 1.554 1.00 0.00 C ATOM 448 CD1 LEU A 28 -13.347 -6.310 2.227 1.00 0.00 C ATOM 449 CD2 LEU A 28 -10.898 -7.098 2.376 1.00 0.00 C ATOM 0 H LEU A 28 -9.816 -5.578 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.790 -8.186 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.077 -5.559 -0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.093 -6.926 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.387 -8.128 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.394 -6.590 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.182 -5.236 2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.287 -6.571 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.122 -7.405 3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.208 -7.811 1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.441 -6.108 2.387 1.00 0.00 H new ATOM 461 N GLU A 29 -11.078 -6.900 -3.217 1.00 0.00 N ATOM 462 CA GLU A 29 -11.198 -7.364 -4.620 1.00 0.00 C ATOM 463 C GLU A 29 -10.341 -8.589 -4.928 1.00 0.00 C ATOM 464 O GLU A 29 -10.867 -9.616 -5.330 1.00 0.00 O ATOM 465 CB GLU A 29 -10.794 -6.284 -5.661 1.00 0.00 C ATOM 466 CG GLU A 29 -11.954 -5.325 -5.928 1.00 0.00 C ATOM 467 CD GLU A 29 -11.512 -4.193 -6.851 1.00 0.00 C ATOM 468 OE1 GLU A 29 -12.051 -4.108 -7.987 1.00 0.00 O ATOM 469 OE2 GLU A 29 -10.632 -3.395 -6.432 1.00 0.00 O ATOM 0 H GLU A 29 -10.749 -5.938 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.257 -7.605 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.932 -5.726 -5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.492 -6.765 -6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.785 -5.867 -6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.317 -4.913 -4.986 1.00 0.00 H new ATOM 476 N LEU A 30 -9.014 -8.520 -4.643 1.00 0.00 N ATOM 477 CA LEU A 30 -8.007 -9.577 -4.772 1.00 0.00 C ATOM 478 C LEU A 30 -8.320 -10.859 -3.983 1.00 0.00 C ATOM 479 O LEU A 30 -8.104 -11.959 -4.479 1.00 0.00 O ATOM 480 CB LEU A 30 -6.667 -8.970 -4.288 1.00 0.00 C ATOM 481 CG LEU A 30 -5.362 -9.289 -5.044 1.00 0.00 C ATOM 482 CD1 LEU A 30 -5.288 -8.552 -6.374 1.00 0.00 C ATOM 483 CD2 LEU A 30 -5.049 -10.754 -5.307 1.00 0.00 C ATOM 0 H LEU A 30 -8.602 -7.655 -4.292 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.978 -9.896 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.784 -7.886 -4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.526 -9.279 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.609 -8.943 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.354 -8.802 -6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.129 -8.848 -7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.328 -7.477 -6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.105 -10.833 -5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.972 -11.286 -4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.846 -11.195 -5.906 1.00 0.00 H new ATOM 495 N LEU A 31 -8.898 -10.698 -2.751 1.00 0.00 N ATOM 496 CA LEU A 31 -9.408 -11.674 -1.792 1.00 0.00 C ATOM 497 C LEU A 31 -10.646 -12.378 -2.325 1.00 0.00 C ATOM 498 O LEU A 31 -10.669 -13.595 -2.440 1.00 0.00 O ATOM 499 CB LEU A 31 -9.731 -10.918 -0.461 1.00 0.00 C ATOM 500 CG LEU A 31 -10.197 -11.690 0.794 1.00 0.00 C ATOM 501 CD1 LEU A 31 -10.451 -10.697 1.970 1.00 0.00 C ATOM 502 CD2 LEU A 31 -9.164 -12.775 1.153 1.00 0.00 C ATOM 0 H LEU A 31 -9.022 -9.755 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.657 -12.444 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.835 -10.364 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.502 -10.183 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.142 -12.194 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.779 -11.251 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.529 -10.163 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.222 -9.983 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.498 -13.316 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.062 -13.470 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.200 -12.307 1.355 1.00 0.00 H new ATOM 514 N ARG A 32 -11.687 -11.612 -2.739 1.00 0.00 N ATOM 515 CA ARG A 32 -12.938 -12.042 -3.314 1.00 0.00 C ATOM 516 C ARG A 32 -12.863 -12.705 -4.684 1.00 0.00 C ATOM 517 O ARG A 32 -13.508 -13.734 -4.861 1.00 0.00 O ATOM 518 CB ARG A 32 -13.871 -10.824 -3.371 1.00 0.00 C ATOM 519 CG ARG A 32 -14.395 -10.400 -1.994 1.00 0.00 C ATOM 520 CD ARG A 32 -14.850 -8.924 -1.929 1.00 0.00 C ATOM 521 NE ARG A 32 -16.276 -8.721 -2.346 1.00 0.00 N ATOM 522 CZ ARG A 32 -16.883 -7.496 -2.243 1.00 0.00 C ATOM 523 NH1 ARG A 32 -16.193 -6.415 -1.773 1.00 0.00 N ATOM 524 NH2 ARG A 32 -18.189 -7.349 -2.607 1.00 0.00 N ATOM 0 H ARG A 32 -11.645 -10.596 -2.662 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.311 -12.834 -2.665 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.339 -9.987 -3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.717 -11.052 -4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.233 -11.041 -1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.613 -10.563 -1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -14.721 -8.556 -0.911 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.203 -8.324 -2.569 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.806 -9.511 -2.714 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.217 -6.515 -1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.654 -5.508 -1.700 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.714 -8.151 -2.956 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -18.640 -6.438 -2.530 1.00 0.00 H new ATOM 538 N ARG A 33 -12.107 -12.181 -5.705 1.00 0.00 N ATOM 539 CA ARG A 33 -11.849 -12.898 -6.950 1.00 0.00 C ATOM 540 C ARG A 33 -10.924 -14.041 -6.890 1.00 0.00 C ATOM 541 O ARG A 33 -11.205 -15.084 -7.467 1.00 0.00 O ATOM 542 CB ARG A 33 -11.372 -12.111 -8.191 1.00 0.00 C ATOM 543 CG ARG A 33 -10.492 -10.887 -7.929 1.00 0.00 C ATOM 544 CD ARG A 33 -9.844 -10.222 -9.147 1.00 0.00 C ATOM 545 NE ARG A 33 -9.403 -8.845 -8.707 1.00 0.00 N ATOM 546 CZ ARG A 33 -8.166 -8.303 -8.925 1.00 0.00 C ATOM 547 NH1 ARG A 33 -7.201 -8.990 -9.600 1.00 0.00 N ATOM 548 NH2 ARG A 33 -7.895 -7.050 -8.451 1.00 0.00 N ATOM 0 H ARG A 33 -11.675 -11.258 -5.665 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.888 -13.204 -7.074 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.821 -12.795 -8.837 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.251 -11.786 -8.747 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.097 -10.139 -7.416 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.699 -11.181 -7.242 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.994 -10.806 -9.500 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.551 -10.156 -9.974 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.083 -8.273 -8.207 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.395 -9.927 -9.954 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.285 -8.567 -9.751 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.611 -6.531 -7.942 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.977 -6.634 -8.606 1.00 0.00 H new ATOM 562 N ARG A 34 -9.715 -13.863 -6.313 1.00 0.00 N ATOM 563 CA ARG A 34 -8.716 -14.881 -6.497 1.00 0.00 C ATOM 564 C ARG A 34 -8.846 -16.074 -5.532 1.00 0.00 C ATOM 565 O ARG A 34 -8.519 -17.214 -5.852 1.00 0.00 O ATOM 566 CB ARG A 34 -7.300 -14.291 -6.488 1.00 0.00 C ATOM 567 CG ARG A 34 -7.149 -13.186 -7.547 1.00 0.00 C ATOM 568 CD ARG A 34 -5.749 -13.217 -8.153 1.00 0.00 C ATOM 569 NE ARG A 34 -5.624 -12.104 -9.159 1.00 0.00 N ATOM 570 CZ ARG A 34 -4.429 -11.532 -9.511 1.00 0.00 C ATOM 571 NH1 ARG A 34 -3.266 -11.898 -8.901 1.00 0.00 N ATOM 572 NH2 ARG A 34 -4.406 -10.578 -10.488 1.00 0.00 N ATOM 0 H ARG A 34 -9.437 -13.060 -5.748 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.904 -15.295 -7.488 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.079 -13.885 -5.501 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.573 -15.081 -6.677 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.894 -13.321 -8.331 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.335 -12.212 -7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.998 -13.104 -7.371 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.568 -14.179 -8.632 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.474 -11.757 -9.603 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.276 -12.609 -8.169 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.386 -11.461 -9.176 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.272 -10.298 -10.948 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.522 -10.146 -10.758 1.00 0.00 H new ATOM 586 N PHE A 35 -9.321 -15.781 -4.294 1.00 0.00 N ATOM 587 CA PHE A 35 -9.419 -16.712 -3.180 1.00 0.00 C ATOM 588 C PHE A 35 -10.891 -17.037 -2.838 1.00 0.00 C ATOM 589 O PHE A 35 -11.207 -18.171 -2.471 1.00 0.00 O ATOM 590 CB PHE A 35 -8.630 -16.173 -1.916 1.00 0.00 C ATOM 591 CG PHE A 35 -7.203 -15.717 -2.180 1.00 0.00 C ATOM 592 CD1 PHE A 35 -7.032 -14.497 -2.799 1.00 0.00 C ATOM 593 CD2 PHE A 35 -6.059 -16.349 -1.702 1.00 0.00 C ATOM 594 CE1 PHE A 35 -5.800 -13.951 -3.048 1.00 0.00 C ATOM 595 CE2 PHE A 35 -4.807 -15.790 -1.915 1.00 0.00 C ATOM 596 CZ PHE A 35 -4.672 -14.608 -2.615 1.00 0.00 C ATOM 0 H PHE A 35 -9.655 -14.848 -4.053 1.00 0.00 H new ATOM 0 HA PHE A 35 -8.949 -17.646 -3.488 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -9.187 -15.338 -1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -8.608 -16.959 -1.161 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.910 -13.946 -3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.146 -17.280 -1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.716 -13.014 -3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.928 -16.285 -1.529 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.692 -14.204 -2.820 1.00 0.00 H new ATOM 606 N GLY A 36 -11.823 -16.023 -2.862 1.00 0.00 N ATOM 607 CA GLY A 36 -13.193 -16.056 -2.368 1.00 0.00 C ATOM 608 C GLY A 36 -13.233 -15.913 -0.897 1.00 0.00 C ATOM 609 O GLY A 36 -12.929 -14.862 -0.345 1.00 0.00 O ATOM 0 H GLY A 36 -11.592 -15.113 -3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.769 -15.254 -2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.665 -16.995 -2.658 1.00 0.00 H new ATOM 613 N THR A 37 -13.555 -17.039 -0.230 1.00 0.00 N ATOM 614 CA THR A 37 -13.486 -17.200 1.201 1.00 0.00 C ATOM 615 C THR A 37 -12.589 -18.421 1.394 1.00 0.00 C ATOM 616 O THR A 37 -13.010 -19.563 1.217 1.00 0.00 O ATOM 617 CB THR A 37 -14.878 -17.499 1.801 1.00 0.00 C ATOM 618 OG1 THR A 37 -15.605 -18.464 1.038 1.00 0.00 O ATOM 619 CG2 THR A 37 -15.738 -16.226 1.862 1.00 0.00 C ATOM 0 H THR A 37 -13.880 -17.880 -0.707 1.00 0.00 H new ATOM 0 HA THR A 37 -13.116 -16.299 1.690 1.00 0.00 H new ATOM 0 HB THR A 37 -14.689 -17.891 2.800 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.008 -19.200 0.787 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.712 -16.465 2.288 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.242 -15.481 2.485 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.870 -15.828 0.856 1.00 0.00 H new ATOM 627 N LYS A 38 -11.362 -18.189 1.874 1.00 0.00 N ATOM 628 CA LYS A 38 -10.372 -19.211 2.198 1.00 0.00 C ATOM 629 C LYS A 38 -9.537 -18.726 3.358 1.00 0.00 C ATOM 630 O LYS A 38 -9.298 -17.530 3.475 1.00 0.00 O ATOM 631 CB LYS A 38 -9.441 -19.523 1.014 1.00 0.00 C ATOM 632 CG LYS A 38 -8.750 -20.887 1.177 1.00 0.00 C ATOM 633 CD LYS A 38 -7.553 -21.019 0.247 1.00 0.00 C ATOM 634 CE LYS A 38 -7.878 -21.036 -1.253 1.00 0.00 C ATOM 635 NZ LYS A 38 -8.736 -22.190 -1.606 1.00 0.00 N ATOM 0 H LYS A 38 -11.022 -17.244 2.053 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.909 -20.126 2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.015 -19.515 0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.687 -18.741 0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.425 -21.011 2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.463 -21.685 0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.870 -20.192 0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.022 -21.938 0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.381 -20.109 -1.529 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.952 -21.080 -1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.854 -22.232 -2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.290 -23.069 -1.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.667 -22.081 -1.155 1.00 0.00 H new ATOM 649 N ARG A 39 -8.996 -19.631 4.227 1.00 0.00 N ATOM 650 CA ARG A 39 -8.043 -19.297 5.282 1.00 0.00 C ATOM 651 C ARG A 39 -6.649 -19.033 4.678 1.00 0.00 C ATOM 652 O ARG A 39 -5.954 -19.910 4.176 1.00 0.00 O ATOM 653 CB ARG A 39 -8.053 -20.337 6.448 1.00 0.00 C ATOM 654 CG ARG A 39 -7.388 -21.713 6.239 1.00 0.00 C ATOM 655 CD ARG A 39 -8.080 -22.656 5.235 1.00 0.00 C ATOM 656 NE ARG A 39 -7.346 -23.973 5.208 1.00 0.00 N ATOM 657 CZ ARG A 39 -6.292 -24.244 4.374 1.00 0.00 C ATOM 658 NH1 ARG A 39 -5.838 -23.315 3.485 1.00 0.00 N ATOM 659 NH2 ARG A 39 -5.688 -25.467 4.439 1.00 0.00 N ATOM 0 H ARG A 39 -9.226 -20.624 4.197 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.358 -18.367 5.755 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.574 -19.869 7.308 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.094 -20.514 6.720 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.363 -21.551 5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.335 -22.218 7.203 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.120 -22.811 5.521 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.086 -22.208 4.241 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.652 -24.706 5.848 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.284 -22.399 3.432 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.052 -23.536 2.873 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.022 -26.166 5.102 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.903 -25.681 3.824 1.00 0.00 H new ATOM 673 N VAL A 40 -6.241 -17.749 4.658 1.00 0.00 N ATOM 674 CA VAL A 40 -5.028 -17.300 3.997 1.00 0.00 C ATOM 675 C VAL A 40 -4.518 -16.138 4.800 1.00 0.00 C ATOM 676 O VAL A 40 -5.301 -15.366 5.345 1.00 0.00 O ATOM 677 CB VAL A 40 -5.267 -16.957 2.516 1.00 0.00 C ATOM 678 CG1 VAL A 40 -6.390 -15.912 2.322 1.00 0.00 C ATOM 679 CG2 VAL A 40 -3.979 -16.523 1.781 1.00 0.00 C ATOM 0 H VAL A 40 -6.760 -16.996 5.109 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.279 -18.091 3.965 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.600 -17.888 2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.517 -15.707 1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.323 -16.301 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.123 -14.991 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.213 -16.295 0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.566 -15.637 2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.248 -17.331 1.820 1.00 0.00 H new ATOM 689 N HIS A 41 -3.171 -16.002 4.899 1.00 0.00 N ATOM 690 CA HIS A 41 -2.443 -14.977 5.638 1.00 0.00 C ATOM 691 C HIS A 41 -2.478 -13.639 4.921 1.00 0.00 C ATOM 692 O HIS A 41 -2.209 -13.584 3.715 1.00 0.00 O ATOM 693 CB HIS A 41 -0.971 -15.446 5.842 1.00 0.00 C ATOM 694 CG HIS A 41 -0.175 -14.650 6.838 1.00 0.00 C ATOM 695 ND1 HIS A 41 0.342 -13.380 6.686 1.00 0.00 N ATOM 696 CD2 HIS A 41 0.059 -14.991 8.124 1.00 0.00 C ATOM 697 CE1 HIS A 41 0.817 -13.002 7.903 1.00 0.00 C ATOM 698 NE2 HIS A 41 0.657 -13.947 8.807 1.00 0.00 N ATOM 0 H HIS A 41 -2.540 -16.652 4.431 1.00 0.00 H new ATOM 0 HA HIS A 41 -2.925 -14.837 6.606 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -0.980 -16.489 6.159 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -0.459 -15.410 4.880 1.00 0.00 H new ATOM 0 HD1 HIS A 41 0.364 -12.831 5.827 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -0.187 -15.948 8.560 1.00 0.00 H new ATOM 0 HE1 HIS A 41 1.271 -12.043 8.104 1.00 0.00 H new ATOM 706 N ASN A 42 -2.802 -12.496 5.618 1.00 0.00 N ATOM 707 CA ASN A 42 -2.933 -11.154 5.011 1.00 0.00 C ATOM 708 C ASN A 42 -1.738 -10.682 4.202 1.00 0.00 C ATOM 709 O ASN A 42 -1.915 -10.164 3.117 1.00 0.00 O ATOM 710 CB ASN A 42 -3.256 -9.968 5.950 1.00 0.00 C ATOM 711 CG ASN A 42 -4.443 -10.293 6.816 1.00 0.00 C ATOM 712 OD1 ASN A 42 -4.356 -11.230 7.607 1.00 0.00 O ATOM 713 ND2 ASN A 42 -5.533 -9.506 6.722 1.00 0.00 N ATOM 0 H ASN A 42 -2.977 -12.499 6.623 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.796 -11.374 4.383 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.392 -9.745 6.575 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.462 -9.075 5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.338 -9.675 7.325 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.553 -8.741 6.048 1.00 0.00 H new ATOM 720 N ASN A 43 -0.485 -10.956 4.669 1.00 0.00 N ATOM 721 CA ASN A 43 0.774 -10.710 3.936 1.00 0.00 C ATOM 722 C ASN A 43 0.888 -11.416 2.570 1.00 0.00 C ATOM 723 O ASN A 43 1.548 -10.900 1.675 1.00 0.00 O ATOM 724 CB ASN A 43 2.076 -10.896 4.755 1.00 0.00 C ATOM 725 CG ASN A 43 2.124 -9.942 5.950 1.00 0.00 C ATOM 726 OD1 ASN A 43 2.053 -10.453 7.064 1.00 0.00 O ATOM 727 ND2 ASN A 43 2.242 -8.593 5.768 1.00 0.00 N ATOM 0 H ASN A 43 -0.329 -11.364 5.591 1.00 0.00 H new ATOM 0 HA ASN A 43 0.685 -9.642 3.737 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.143 -11.926 5.106 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.940 -10.722 4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.274 -7.970 6.575 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.298 -8.209 4.825 1.00 0.00 H new ATOM 734 N ILE A 44 0.187 -12.576 2.378 1.00 0.00 N ATOM 735 CA ILE A 44 0.031 -13.317 1.120 1.00 0.00 C ATOM 736 C ILE A 44 -0.964 -12.654 0.190 1.00 0.00 C ATOM 737 O ILE A 44 -0.700 -12.473 -0.992 1.00 0.00 O ATOM 738 CB ILE A 44 -0.225 -14.806 1.284 1.00 0.00 C ATOM 739 CG1 ILE A 44 0.834 -15.368 2.266 1.00 0.00 C ATOM 740 CG2 ILE A 44 -0.153 -15.482 -0.116 1.00 0.00 C ATOM 741 CD1 ILE A 44 0.864 -16.891 2.265 1.00 0.00 C ATOM 0 H ILE A 44 -0.304 -13.029 3.148 1.00 0.00 H new ATOM 0 HA ILE A 44 1.010 -13.266 0.643 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.214 -15.007 1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.818 -14.986 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.620 -15.011 3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.335 -16.552 -0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.909 -15.046 -0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.835 -15.322 -0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.621 -17.240 2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.112 -17.274 2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.105 -17.250 1.264 1.00 0.00 H new ATOM 753 N VAL A 45 -2.113 -12.174 0.734 1.00 0.00 N ATOM 754 CA VAL A 45 -3.100 -11.386 -0.045 1.00 0.00 C ATOM 755 C VAL A 45 -2.572 -9.961 -0.318 1.00 0.00 C ATOM 756 O VAL A 45 -2.837 -9.401 -1.377 1.00 0.00 O ATOM 757 CB VAL A 45 -4.540 -11.395 0.498 1.00 0.00 C ATOM 758 CG1 VAL A 45 -4.984 -12.832 0.830 1.00 0.00 C ATOM 759 CG2 VAL A 45 -5.545 -10.804 -0.526 1.00 0.00 C ATOM 0 H VAL A 45 -2.377 -12.320 1.708 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.197 -11.910 -0.996 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.540 -10.779 1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.005 -12.818 1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.943 -13.443 -0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.319 -13.253 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.550 -10.828 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.271 -9.773 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.521 -11.395 -1.442 1.00 0.00 H new ATOM 769 N TYR A 46 -1.738 -9.386 0.631 1.00 0.00 N ATOM 770 CA TYR A 46 -0.991 -8.116 0.542 1.00 0.00 C ATOM 771 C TYR A 46 0.075 -8.203 -0.515 1.00 0.00 C ATOM 772 O TYR A 46 0.015 -7.418 -1.446 1.00 0.00 O ATOM 773 CB TYR A 46 -0.272 -7.738 1.902 1.00 0.00 C ATOM 774 CG TYR A 46 -0.215 -6.304 2.421 1.00 0.00 C ATOM 775 CD1 TYR A 46 0.003 -6.224 3.797 1.00 0.00 C ATOM 776 CD2 TYR A 46 -0.457 -5.098 1.759 1.00 0.00 C ATOM 777 CE1 TYR A 46 -0.485 -5.178 4.541 1.00 0.00 C ATOM 778 CE2 TYR A 46 -0.744 -3.979 2.518 1.00 0.00 C ATOM 779 CZ TYR A 46 -0.888 -4.046 3.881 1.00 0.00 C ATOM 780 OH TYR A 46 -1.491 -2.979 4.565 1.00 0.00 O ATOM 0 H TYR A 46 -1.577 -9.847 1.526 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.729 -7.352 0.299 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.744 -8.335 2.682 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.759 -8.082 1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.568 -7.002 4.288 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.421 -5.041 0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.550 -5.245 5.617 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.858 -3.025 2.024 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.465 -3.046 4.482 1.00 0.00 H new ATOM 790 N ASN A 47 0.990 -9.244 -0.482 1.00 0.00 N ATOM 791 CA ASN A 47 2.054 -9.475 -1.482 1.00 0.00 C ATOM 792 C ASN A 47 1.535 -9.773 -2.843 1.00 0.00 C ATOM 793 O ASN A 47 2.164 -9.466 -3.854 1.00 0.00 O ATOM 794 CB ASN A 47 3.099 -10.601 -1.146 1.00 0.00 C ATOM 795 CG ASN A 47 2.741 -12.103 -1.141 1.00 0.00 C ATOM 796 OD1 ASN A 47 2.251 -12.731 -2.079 1.00 0.00 O ATOM 797 ND2 ASN A 47 3.111 -12.774 -0.024 1.00 0.00 N ATOM 0 H ASN A 47 0.989 -9.943 0.261 1.00 0.00 H new ATOM 0 HA ASN A 47 2.566 -8.513 -1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.921 -10.481 -1.851 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.493 -10.373 -0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.982 -13.784 0.030 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.519 -12.269 0.763 1.00 0.00 H new ATOM 804 N GLU A 48 0.305 -10.372 -2.866 1.00 0.00 N ATOM 805 CA GLU A 48 -0.355 -10.717 -4.107 1.00 0.00 C ATOM 806 C GLU A 48 -0.954 -9.476 -4.766 1.00 0.00 C ATOM 807 O GLU A 48 -0.813 -9.268 -5.965 1.00 0.00 O ATOM 808 CB GLU A 48 -1.456 -11.795 -3.965 1.00 0.00 C ATOM 809 CG GLU A 48 -1.924 -12.358 -5.324 1.00 0.00 C ATOM 810 CD GLU A 48 -1.305 -13.723 -5.612 1.00 0.00 C ATOM 811 OE1 GLU A 48 -0.053 -13.795 -5.733 1.00 0.00 O ATOM 812 OE2 GLU A 48 -2.078 -14.714 -5.717 1.00 0.00 O ATOM 0 H GLU A 48 -0.224 -10.614 -2.028 1.00 0.00 H new ATOM 0 HA GLU A 48 0.428 -11.145 -4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.080 -12.612 -3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.311 -11.367 -3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.011 -12.443 -5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.656 -11.662 -6.118 1.00 0.00 H new ATOM 819 N TYR A 49 -1.573 -8.595 -3.924 1.00 0.00 N ATOM 820 CA TYR A 49 -2.117 -7.269 -4.191 1.00 0.00 C ATOM 821 C TYR A 49 -1.026 -6.272 -4.605 1.00 0.00 C ATOM 822 O TYR A 49 -1.168 -5.629 -5.630 1.00 0.00 O ATOM 823 CB TYR A 49 -3.020 -6.807 -2.985 1.00 0.00 C ATOM 824 CG TYR A 49 -3.092 -5.326 -2.707 1.00 0.00 C ATOM 825 CD1 TYR A 49 -2.261 -4.832 -1.726 1.00 0.00 C ATOM 826 CD2 TYR A 49 -3.723 -4.443 -3.556 1.00 0.00 C ATOM 827 CE1 TYR A 49 -1.981 -3.490 -1.639 1.00 0.00 C ATOM 828 CE2 TYR A 49 -3.512 -3.088 -3.402 1.00 0.00 C ATOM 829 CZ TYR A 49 -2.606 -2.609 -2.491 1.00 0.00 C ATOM 830 OH TYR A 49 -2.289 -1.239 -2.533 1.00 0.00 O ATOM 0 H TYR A 49 -1.706 -8.843 -2.944 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.772 -7.312 -5.061 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.033 -7.167 -3.164 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.660 -7.303 -2.084 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.821 -5.512 -1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.377 -4.808 -4.335 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.275 -3.129 -0.906 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.071 -2.392 -4.010 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.437 -1.115 -3.000 1.00 0.00 H new ATOM 840 N ILE A 50 0.080 -6.109 -3.836 1.00 0.00 N ATOM 841 CA ILE A 50 1.140 -5.132 -4.133 1.00 0.00 C ATOM 842 C ILE A 50 2.132 -5.459 -5.212 1.00 0.00 C ATOM 843 O ILE A 50 2.779 -4.555 -5.735 1.00 0.00 O ATOM 844 CB ILE A 50 1.956 -4.633 -2.972 1.00 0.00 C ATOM 845 CG1 ILE A 50 2.617 -5.747 -2.146 1.00 0.00 C ATOM 846 CG2 ILE A 50 1.056 -3.779 -2.111 1.00 0.00 C ATOM 847 CD1 ILE A 50 3.118 -5.386 -0.753 1.00 0.00 C ATOM 0 H ILE A 50 0.255 -6.656 -2.993 1.00 0.00 H new ATOM 0 HA ILE A 50 0.461 -4.359 -4.492 1.00 0.00 H new ATOM 0 HB ILE A 50 2.790 -4.054 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.900 -6.562 -2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.461 -6.134 -2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.620 -3.401 -1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.680 -2.941 -2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.218 -4.378 -1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.560 -6.266 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.869 -4.599 -0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.284 -5.034 -0.146 1.00 0.00 H new ATOM 859 N SER A 51 2.274 -6.730 -5.637 1.00 0.00 N ATOM 860 CA SER A 51 3.086 -7.102 -6.813 1.00 0.00 C ATOM 861 C SER A 51 2.296 -6.813 -8.132 1.00 0.00 C ATOM 862 O SER A 51 2.060 -7.676 -8.974 1.00 0.00 O ATOM 863 CB SER A 51 3.615 -8.568 -6.781 1.00 0.00 C ATOM 864 OG SER A 51 4.527 -8.833 -7.855 1.00 0.00 O ATOM 0 H SER A 51 1.831 -7.525 -5.177 1.00 0.00 H new ATOM 0 HA SER A 51 3.977 -6.475 -6.780 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.112 -8.753 -5.829 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.774 -9.258 -6.841 1.00 0.00 H new ATOM 0 HG SER A 51 4.837 -9.761 -7.799 1.00 0.00 H new ATOM 870 N HIS A 52 1.880 -5.537 -8.248 1.00 0.00 N ATOM 871 CA HIS A 52 1.053 -4.831 -9.207 1.00 0.00 C ATOM 872 C HIS A 52 1.603 -3.399 -9.019 1.00 0.00 C ATOM 873 O HIS A 52 2.594 -3.214 -8.313 1.00 0.00 O ATOM 874 CB HIS A 52 -0.465 -4.929 -8.779 1.00 0.00 C ATOM 875 CG HIS A 52 -1.285 -6.184 -9.126 1.00 0.00 C ATOM 876 ND1 HIS A 52 -1.952 -6.334 -10.337 1.00 0.00 N ATOM 877 CD2 HIS A 52 -1.740 -7.220 -8.343 1.00 0.00 C ATOM 878 CE1 HIS A 52 -2.762 -7.421 -10.216 1.00 0.00 C ATOM 879 NE2 HIS A 52 -2.673 -7.979 -9.033 1.00 0.00 N ATOM 0 H HIS A 52 2.182 -4.876 -7.532 1.00 0.00 H new ATOM 0 HA HIS A 52 1.086 -5.198 -10.233 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.505 -4.805 -7.697 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.981 -4.074 -9.217 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -1.853 -5.741 -11.161 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.415 -7.415 -7.332 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -3.405 -7.783 -11.005 1.00 0.00 H new ATOM 887 N ARG A 53 0.993 -2.311 -9.578 1.00 0.00 N ATOM 888 CA ARG A 53 1.455 -0.906 -9.442 1.00 0.00 C ATOM 889 C ARG A 53 1.475 -0.293 -8.033 1.00 0.00 C ATOM 890 O ARG A 53 2.351 0.473 -7.638 1.00 0.00 O ATOM 891 CB ARG A 53 0.687 0.064 -10.392 1.00 0.00 C ATOM 892 CG ARG A 53 -0.838 0.115 -10.165 1.00 0.00 C ATOM 893 CD ARG A 53 -1.410 1.241 -9.267 1.00 0.00 C ATOM 894 NE ARG A 53 -1.193 2.563 -9.949 1.00 0.00 N ATOM 895 CZ ARG A 53 -1.535 3.762 -9.384 1.00 0.00 C ATOM 896 NH1 ARG A 53 -2.105 3.816 -8.146 1.00 0.00 N ATOM 897 NH2 ARG A 53 -1.301 4.919 -10.072 1.00 0.00 N ATOM 0 H ARG A 53 0.150 -2.395 -10.146 1.00 0.00 H new ATOM 0 HA ARG A 53 2.502 -1.005 -9.729 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.093 1.068 -10.269 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.877 -0.233 -11.423 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.317 0.193 -11.141 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.142 -0.840 -9.736 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.473 1.078 -9.089 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.919 1.233 -8.294 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.771 2.567 -10.877 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.282 2.955 -7.628 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.354 4.717 -7.738 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.875 4.884 -10.998 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.552 5.817 -9.659 1.00 0.00 H new ATOM 911 N GLU A 54 0.402 -0.647 -7.318 1.00 0.00 N ATOM 912 CA GLU A 54 -0.184 -0.258 -6.057 1.00 0.00 C ATOM 913 C GLU A 54 0.544 -0.418 -4.747 1.00 0.00 C ATOM 914 O GLU A 54 -0.120 -0.368 -3.715 1.00 0.00 O ATOM 915 CB GLU A 54 -1.572 -0.920 -6.017 1.00 0.00 C ATOM 916 CG GLU A 54 -1.527 -2.461 -6.047 1.00 0.00 C ATOM 917 CD GLU A 54 -2.887 -2.967 -6.558 1.00 0.00 C ATOM 918 OE1 GLU A 54 -3.858 -2.162 -6.592 1.00 0.00 O ATOM 919 OE2 GLU A 54 -2.987 -4.161 -6.942 1.00 0.00 O ATOM 0 H GLU A 54 -0.190 -1.374 -7.719 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.166 0.831 -6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.092 -0.598 -5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.158 -0.566 -6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.723 -2.806 -6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.323 -2.856 -5.052 1.00 0.00 H new ATOM 926 N HIS A 55 1.871 -0.694 -4.753 1.00 0.00 N ATOM 927 CA HIS A 55 2.798 -0.981 -3.650 1.00 0.00 C ATOM 928 C HIS A 55 2.732 -0.319 -2.252 1.00 0.00 C ATOM 929 O HIS A 55 3.710 0.192 -1.719 1.00 0.00 O ATOM 930 CB HIS A 55 4.267 -1.043 -4.171 1.00 0.00 C ATOM 931 CG HIS A 55 5.211 -1.818 -3.275 1.00 0.00 C ATOM 932 ND1 HIS A 55 6.554 -1.549 -3.106 1.00 0.00 N ATOM 933 CD2 HIS A 55 4.938 -2.863 -2.447 1.00 0.00 C ATOM 934 CE1 HIS A 55 7.014 -2.427 -2.178 1.00 0.00 C ATOM 935 NE2 HIS A 55 6.068 -3.239 -1.742 1.00 0.00 N ATOM 0 H HIS A 55 2.369 -0.722 -5.643 1.00 0.00 H new ATOM 0 HA HIS A 55 2.360 -1.934 -3.353 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.270 -1.496 -5.162 1.00 0.00 H new ATOM 0 HB3 HIS A 55 4.644 -0.026 -4.284 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.971 -3.335 -2.353 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.038 -2.458 -1.835 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.151 -3.977 -1.043 1.00 0.00 H new ATOM 943 N ILE A 56 1.557 -0.443 -1.588 1.00 0.00 N ATOM 944 CA ILE A 56 1.170 -0.092 -0.220 1.00 0.00 C ATOM 945 C ILE A 56 1.415 -1.310 0.627 1.00 0.00 C ATOM 946 O ILE A 56 0.648 -2.262 0.551 1.00 0.00 O ATOM 947 CB ILE A 56 -0.301 0.221 -0.134 1.00 0.00 C ATOM 948 CG1 ILE A 56 -0.520 1.458 -1.006 1.00 0.00 C ATOM 949 CG2 ILE A 56 -0.905 0.456 1.288 1.00 0.00 C ATOM 950 CD1 ILE A 56 -2.009 1.593 -1.111 1.00 0.00 C ATOM 0 H ILE A 56 0.758 -0.848 -2.076 1.00 0.00 H new ATOM 0 HA ILE A 56 1.739 0.779 0.105 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.831 -0.670 -0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.073 2.344 -0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.064 1.336 -1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.970 0.671 1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.764 -0.438 1.895 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.403 1.299 1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.253 2.461 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.424 0.696 -1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.434 1.720 -0.115 1.00 0.00 H new ATOM 962 N HIS A 57 2.478 -1.359 1.444 1.00 0.00 N ATOM 963 CA HIS A 57 2.793 -2.512 2.284 1.00 0.00 C ATOM 964 C HIS A 57 2.153 -2.343 3.650 1.00 0.00 C ATOM 965 O HIS A 57 1.492 -1.335 3.879 1.00 0.00 O ATOM 966 CB HIS A 57 4.328 -2.670 2.376 1.00 0.00 C ATOM 967 CG HIS A 57 4.748 -4.096 2.182 1.00 0.00 C ATOM 968 ND1 HIS A 57 5.915 -4.479 1.559 1.00 0.00 N ATOM 969 CD2 HIS A 57 4.085 -5.251 2.472 1.00 0.00 C ATOM 970 CE1 HIS A 57 5.894 -5.834 1.498 1.00 0.00 C ATOM 971 NE2 HIS A 57 4.800 -6.344 2.033 1.00 0.00 N ATOM 0 H HIS A 57 3.144 -0.592 1.537 1.00 0.00 H new ATOM 0 HA HIS A 57 2.387 -3.423 1.845 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.805 -2.044 1.622 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.673 -2.317 3.348 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.131 -5.302 2.976 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.683 -6.428 1.061 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.542 -7.328 2.105 1.00 0.00 H new ATOM 979 N MET A 58 2.346 -3.253 4.667 1.00 0.00 N ATOM 980 CA MET A 58 1.838 -3.061 6.051 1.00 0.00 C ATOM 981 C MET A 58 2.426 -1.837 6.772 1.00 0.00 C ATOM 982 O MET A 58 1.999 -1.368 7.812 1.00 0.00 O ATOM 983 CB MET A 58 2.104 -4.317 6.936 1.00 0.00 C ATOM 984 CG MET A 58 1.443 -4.259 8.329 1.00 0.00 C ATOM 985 SD MET A 58 -0.320 -3.855 8.181 1.00 0.00 S ATOM 986 CE MET A 58 -0.765 -5.547 8.518 1.00 0.00 C ATOM 0 H MET A 58 2.855 -4.128 4.539 1.00 0.00 H new ATOM 0 HA MET A 58 0.768 -2.895 5.925 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.742 -5.201 6.411 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.180 -4.438 7.061 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.561 -5.218 8.834 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.943 -3.511 8.944 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.533 -5.868 7.815 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.114 -6.183 8.411 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.148 -5.627 9.535 1.00 0.00 H new ATOM 996 N ASN A 59 3.445 -1.284 6.116 1.00 0.00 N ATOM 997 CA ASN A 59 4.265 -0.146 6.361 1.00 0.00 C ATOM 998 C ASN A 59 3.646 1.171 5.815 1.00 0.00 C ATOM 999 O ASN A 59 4.214 2.248 5.971 1.00 0.00 O ATOM 1000 CB ASN A 59 5.605 -0.554 5.683 1.00 0.00 C ATOM 1001 CG ASN A 59 6.118 -1.904 6.237 1.00 0.00 C ATOM 1002 OD1 ASN A 59 6.953 -1.849 7.142 1.00 0.00 O ATOM 1003 ND2 ASN A 59 5.702 -3.120 5.740 1.00 0.00 N ATOM 0 H ASN A 59 3.747 -1.725 5.247 1.00 0.00 H new ATOM 0 HA ASN A 59 4.390 0.090 7.418 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.463 -0.630 4.605 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.353 0.221 5.852 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.086 -3.985 6.121 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.011 -3.155 4.991 1.00 0.00 H new ATOM 1010 N ALA A 60 2.453 1.100 5.149 1.00 0.00 N ATOM 1011 CA ALA A 60 1.707 2.224 4.560 1.00 0.00 C ATOM 1012 C ALA A 60 0.321 2.435 5.201 1.00 0.00 C ATOM 1013 O ALA A 60 -0.569 3.069 4.632 1.00 0.00 O ATOM 1014 CB ALA A 60 1.567 2.009 3.033 1.00 0.00 C ATOM 0 H ALA A 60 1.975 0.210 5.010 1.00 0.00 H new ATOM 0 HA ALA A 60 2.278 3.130 4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.015 2.842 2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.557 1.955 2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.030 1.079 2.844 1.00 0.00 H new ATOM 1020 N THR A 61 0.126 1.906 6.430 1.00 0.00 N ATOM 1021 CA THR A 61 -1.144 1.952 7.174 1.00 0.00 C ATOM 1022 C THR A 61 -0.873 2.011 8.693 1.00 0.00 C ATOM 1023 O THR A 61 0.275 1.930 9.128 1.00 0.00 O ATOM 1024 CB THR A 61 -2.121 0.904 6.643 1.00 0.00 C ATOM 1025 OG1 THR A 61 -3.340 0.801 7.374 1.00 0.00 O ATOM 1026 CG2 THR A 61 -1.423 -0.452 6.481 1.00 0.00 C ATOM 0 H THR A 61 0.867 1.425 6.940 1.00 0.00 H new ATOM 0 HA THR A 61 -1.688 2.879 6.995 1.00 0.00 H new ATOM 0 HB THR A 61 -2.433 1.256 5.660 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.699 -0.106 7.285 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.135 -1.185 6.102 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.595 -0.354 5.779 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.042 -0.783 7.447 1.00 0.00 H new ATOM 1034 N GLN A 62 -1.927 2.221 9.549 1.00 0.00 N ATOM 1035 CA GLN A 62 -1.848 2.443 11.004 1.00 0.00 C ATOM 1036 C GLN A 62 -1.688 1.210 11.889 1.00 0.00 C ATOM 1037 O GLN A 62 -1.573 1.298 13.114 1.00 0.00 O ATOM 1038 CB GLN A 62 -3.042 3.302 11.499 1.00 0.00 C ATOM 1039 CG GLN A 62 -4.361 2.542 11.790 1.00 0.00 C ATOM 1040 CD GLN A 62 -5.498 3.543 11.966 1.00 0.00 C ATOM 1041 OE1 GLN A 62 -5.348 4.748 11.761 1.00 0.00 O ATOM 1042 NE2 GLN A 62 -6.698 3.025 12.321 1.00 0.00 N ATOM 0 H GLN A 62 -2.889 2.238 9.212 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.904 2.975 11.120 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.737 3.819 12.409 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.246 4.067 10.750 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.587 1.859 10.971 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.253 1.936 12.690 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.793 2.023 12.484 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.507 3.637 12.425 1.00 0.00 H new ATOM 1051 N TRP A 63 -1.662 0.026 11.235 1.00 0.00 N ATOM 1052 CA TRP A 63 -1.453 -1.287 11.803 1.00 0.00 C ATOM 1053 C TRP A 63 0.013 -1.629 11.552 1.00 0.00 C ATOM 1054 O TRP A 63 0.409 -1.861 10.415 1.00 0.00 O ATOM 1055 CB TRP A 63 -2.377 -2.368 11.157 1.00 0.00 C ATOM 1056 CG TRP A 63 -3.805 -1.923 10.824 1.00 0.00 C ATOM 1057 CD1 TRP A 63 -4.848 -1.667 11.669 1.00 0.00 C ATOM 1058 CD2 TRP A 63 -4.354 -1.869 9.491 1.00 0.00 C ATOM 1059 NE1 TRP A 63 -6.012 -1.481 10.947 1.00 0.00 N ATOM 1060 CE2 TRP A 63 -5.724 -1.652 9.613 1.00 0.00 C ATOM 1061 CE3 TRP A 63 -3.779 -2.011 8.261 1.00 0.00 C ATOM 1062 CZ2 TRP A 63 -6.533 -1.649 8.516 1.00 0.00 C ATOM 1063 CZ3 TRP A 63 -4.600 -1.969 7.146 1.00 0.00 C ATOM 1064 CH2 TRP A 63 -5.966 -1.802 7.270 1.00 0.00 C ATOM 0 H TRP A 63 -1.798 -0.018 10.225 1.00 0.00 H new ATOM 0 HA TRP A 63 -1.699 -1.278 12.865 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -1.905 -2.719 10.240 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -2.432 -3.221 11.834 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -4.774 -1.617 12.745 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.927 -1.256 11.337 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.713 -2.152 8.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -7.601 -1.529 8.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -4.165 -2.069 6.163 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -6.590 -1.791 6.389 1.00 0.00 H new ATOM 1075 N GLU A 64 0.877 -1.645 12.602 1.00 0.00 N ATOM 1076 CA GLU A 64 2.318 -1.906 12.480 1.00 0.00 C ATOM 1077 C GLU A 64 2.628 -3.390 12.336 1.00 0.00 C ATOM 1078 O GLU A 64 3.507 -3.821 11.593 1.00 0.00 O ATOM 1079 CB GLU A 64 3.031 -1.326 13.735 1.00 0.00 C ATOM 1080 CG GLU A 64 4.539 -1.633 13.869 1.00 0.00 C ATOM 1081 CD GLU A 64 5.123 -0.850 15.045 1.00 0.00 C ATOM 1082 OE1 GLU A 64 5.120 0.409 14.981 1.00 0.00 O ATOM 1083 OE2 GLU A 64 5.583 -1.501 16.021 1.00 0.00 O ATOM 0 H GLU A 64 0.579 -1.474 13.562 1.00 0.00 H new ATOM 0 HA GLU A 64 2.681 -1.422 11.573 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.901 -0.244 13.733 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.524 -1.706 14.622 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.690 -2.702 14.021 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.057 -1.365 12.948 1.00 0.00 H new ATOM 1090 N THR A 65 1.860 -4.217 13.067 1.00 0.00 N ATOM 1091 CA THR A 65 1.951 -5.665 13.079 1.00 0.00 C ATOM 1092 C THR A 65 0.799 -6.196 12.247 1.00 0.00 C ATOM 1093 O THR A 65 -0.148 -5.465 11.958 1.00 0.00 O ATOM 1094 CB THR A 65 1.911 -6.210 14.521 1.00 0.00 C ATOM 1095 OG1 THR A 65 0.715 -5.879 15.228 1.00 0.00 O ATOM 1096 CG2 THR A 65 3.064 -5.593 15.328 1.00 0.00 C ATOM 0 H THR A 65 1.131 -3.867 13.688 1.00 0.00 H new ATOM 0 HA THR A 65 2.900 -5.995 12.656 1.00 0.00 H new ATOM 0 HB THR A 65 1.978 -7.294 14.428 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.754 -6.256 16.132 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.040 -5.976 16.348 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.015 -5.857 14.864 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.957 -4.508 15.345 1.00 0.00 H new ATOM 1104 N LEU A 66 0.788 -7.510 11.880 1.00 0.00 N ATOM 1105 CA LEU A 66 -0.308 -8.144 11.144 1.00 0.00 C ATOM 1106 C LEU A 66 -1.557 -8.325 11.996 1.00 0.00 C ATOM 1107 O LEU A 66 -2.682 -8.144 11.533 1.00 0.00 O ATOM 1108 CB LEU A 66 0.146 -9.472 10.504 1.00 0.00 C ATOM 1109 CG LEU A 66 -0.582 -9.873 9.201 1.00 0.00 C ATOM 1110 CD1 LEU A 66 -0.325 -8.896 8.057 1.00 0.00 C ATOM 1111 CD2 LEU A 66 -2.095 -10.025 9.307 1.00 0.00 C ATOM 0 H LEU A 66 1.553 -8.150 12.096 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.585 -7.464 10.339 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.214 -9.407 10.296 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.011 -10.270 11.234 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.149 -10.853 9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.861 -9.228 7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.673 -7.903 8.341 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.743 -8.858 7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.501 -10.308 8.336 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.333 -10.797 10.039 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.535 -9.079 9.622 1.00 0.00 H new ATOM 1123 N THR A 67 -1.353 -8.599 13.311 1.00 0.00 N ATOM 1124 CA THR A 67 -2.287 -8.832 14.406 1.00 0.00 C ATOM 1125 C THR A 67 -3.233 -7.672 14.595 1.00 0.00 C ATOM 1126 O THR A 67 -4.414 -7.893 14.766 1.00 0.00 O ATOM 1127 CB THR A 67 -1.517 -9.118 15.703 1.00 0.00 C ATOM 1128 OG1 THR A 67 -0.568 -10.149 15.455 1.00 0.00 O ATOM 1129 CG2 THR A 67 -2.445 -9.592 16.836 1.00 0.00 C ATOM 0 H THR A 67 -0.396 -8.667 13.656 1.00 0.00 H new ATOM 0 HA THR A 67 -2.891 -9.702 14.149 1.00 0.00 H new ATOM 0 HB THR A 67 -1.037 -8.190 16.013 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.037 -10.969 15.195 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.856 -9.782 17.733 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.187 -8.821 17.045 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.950 -10.509 16.533 1.00 0.00 H new ATOM 1137 N ASP A 68 -2.782 -6.394 14.454 1.00 0.00 N ATOM 1138 CA ASP A 68 -3.610 -5.189 14.500 1.00 0.00 C ATOM 1139 C ASP A 68 -4.515 -4.960 13.287 1.00 0.00 C ATOM 1140 O ASP A 68 -5.621 -4.438 13.418 1.00 0.00 O ATOM 1141 CB ASP A 68 -2.723 -3.936 14.771 1.00 0.00 C ATOM 1142 CG ASP A 68 -3.435 -2.893 15.639 1.00 0.00 C ATOM 1143 OD1 ASP A 68 -3.835 -3.246 16.780 1.00 0.00 O ATOM 1144 OD2 ASP A 68 -3.580 -1.732 15.172 1.00 0.00 O ATOM 0 H ASP A 68 -1.796 -6.184 14.301 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.301 -5.354 15.326 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.801 -4.246 15.263 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.440 -3.482 13.821 1.00 0.00 H new ATOM 1149 N PHE A 69 -4.089 -5.424 12.067 1.00 0.00 N ATOM 1150 CA PHE A 69 -4.904 -5.430 10.837 1.00 0.00 C ATOM 1151 C PHE A 69 -5.972 -6.514 10.924 1.00 0.00 C ATOM 1152 O PHE A 69 -7.114 -6.353 10.502 1.00 0.00 O ATOM 1153 CB PHE A 69 -4.029 -5.592 9.553 1.00 0.00 C ATOM 1154 CG PHE A 69 -4.762 -5.646 8.206 1.00 0.00 C ATOM 1155 CD1 PHE A 69 -4.267 -6.417 7.165 1.00 0.00 C ATOM 1156 CD2 PHE A 69 -5.947 -4.965 7.980 1.00 0.00 C ATOM 1157 CE1 PHE A 69 -4.942 -6.524 5.966 1.00 0.00 C ATOM 1158 CE2 PHE A 69 -6.628 -5.066 6.786 1.00 0.00 C ATOM 1159 CZ PHE A 69 -6.141 -5.866 5.777 1.00 0.00 C ATOM 0 H PHE A 69 -3.154 -5.806 11.925 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.396 -4.461 10.755 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.322 -4.763 9.520 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.444 -6.506 9.656 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.334 -6.945 7.295 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.349 -4.337 8.762 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.530 -7.126 5.170 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.546 -4.516 6.642 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.688 -5.977 4.852 1.00 0.00 H new ATOM 1169 N THR A 70 -5.601 -7.638 11.572 1.00 0.00 N ATOM 1170 CA THR A 70 -6.451 -8.792 11.841 1.00 0.00 C ATOM 1171 C THR A 70 -7.510 -8.515 12.913 1.00 0.00 C ATOM 1172 O THR A 70 -8.660 -8.944 12.794 1.00 0.00 O ATOM 1173 CB THR A 70 -5.687 -10.099 11.939 1.00 0.00 C ATOM 1174 OG1 THR A 70 -4.367 -9.980 12.400 1.00 0.00 O ATOM 1175 CG2 THR A 70 -5.565 -10.706 10.534 1.00 0.00 C ATOM 0 H THR A 70 -4.655 -7.760 11.934 1.00 0.00 H new ATOM 0 HA THR A 70 -7.057 -8.962 10.951 1.00 0.00 H new ATOM 0 HB THR A 70 -6.252 -10.701 12.651 1.00 0.00 H new ATOM 0 HG1 THR A 70 -3.834 -9.488 11.741 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.017 -11.647 10.590 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.560 -10.889 10.129 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.031 -10.014 9.884 1.00 0.00 H new ATOM 1183 N LYS A 71 -7.141 -7.665 13.928 1.00 0.00 N ATOM 1184 CA LYS A 71 -8.085 -7.059 14.899 1.00 0.00 C ATOM 1185 C LYS A 71 -9.155 -6.129 14.277 1.00 0.00 C ATOM 1186 O LYS A 71 -10.328 -6.210 14.628 1.00 0.00 O ATOM 1187 CB LYS A 71 -7.435 -6.180 16.020 1.00 0.00 C ATOM 1188 CG LYS A 71 -6.326 -6.744 16.923 1.00 0.00 C ATOM 1189 CD LYS A 71 -6.535 -8.045 17.717 1.00 0.00 C ATOM 1190 CE LYS A 71 -6.535 -9.391 16.969 1.00 0.00 C ATOM 1191 NZ LYS A 71 -7.901 -9.879 16.662 1.00 0.00 N ATOM 0 H LYS A 71 -6.172 -7.387 14.086 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.520 -7.970 15.310 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.031 -5.291 15.535 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.242 -5.848 16.674 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.447 -6.891 16.295 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.076 -5.966 17.645 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.757 -8.093 18.478 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.488 -7.961 18.240 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.975 -9.285 16.040 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.015 -10.136 17.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.050 -10.802 17.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.601 -9.199 17.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.011 -9.978 15.633 1.00 0.00 H new ATOM 1205 N TRP A 72 -8.748 -5.221 13.341 1.00 0.00 N ATOM 1206 CA TRP A 72 -9.617 -4.229 12.678 1.00 0.00 C ATOM 1207 C TRP A 72 -10.492 -4.850 11.605 1.00 0.00 C ATOM 1208 O TRP A 72 -11.691 -4.616 11.556 1.00 0.00 O ATOM 1209 CB TRP A 72 -8.825 -3.015 12.078 1.00 0.00 C ATOM 1210 CG TRP A 72 -9.630 -1.859 11.427 1.00 0.00 C ATOM 1211 CD1 TRP A 72 -10.055 -0.684 11.983 1.00 0.00 C ATOM 1212 CD2 TRP A 72 -10.041 -1.804 10.038 1.00 0.00 C ATOM 1213 NE1 TRP A 72 -10.698 0.089 11.035 1.00 0.00 N ATOM 1214 CE2 TRP A 72 -10.677 -0.581 9.827 1.00 0.00 C ATOM 1215 CE3 TRP A 72 -9.914 -2.691 9.011 1.00 0.00 C ATOM 1216 CZ2 TRP A 72 -11.141 -0.220 8.579 1.00 0.00 C ATOM 1217 CZ3 TRP A 72 -10.314 -2.303 7.769 1.00 0.00 C ATOM 1218 CH2 TRP A 72 -10.922 -1.099 7.530 1.00 0.00 C ATOM 0 H TRP A 72 -7.779 -5.166 13.026 1.00 0.00 H new ATOM 0 HA TRP A 72 -10.258 -3.848 13.473 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -8.217 -2.588 12.876 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -8.138 -3.405 11.327 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -9.909 -0.401 13.015 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -11.119 1.003 11.200 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -9.506 -3.677 9.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -11.657 0.716 8.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -10.145 -2.972 6.938 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -11.229 -0.836 6.529 1.00 0.00 H new ATOM 1229 N LEU A 73 -9.903 -5.667 10.700 1.00 0.00 N ATOM 1230 CA LEU A 73 -10.523 -6.419 9.604 1.00 0.00 C ATOM 1231 C LEU A 73 -11.489 -7.535 9.999 1.00 0.00 C ATOM 1232 O LEU A 73 -12.554 -7.770 9.427 1.00 0.00 O ATOM 1233 CB LEU A 73 -9.542 -6.516 8.416 1.00 0.00 C ATOM 1234 CG LEU A 73 -9.615 -7.681 7.394 1.00 0.00 C ATOM 1235 CD1 LEU A 73 -9.323 -7.136 5.979 1.00 0.00 C ATOM 1236 CD2 LEU A 73 -8.618 -8.789 7.747 1.00 0.00 C ATOM 0 H LEU A 73 -8.896 -5.824 10.728 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.349 -5.875 9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.640 -5.591 7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.536 -6.527 8.836 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.616 -8.111 7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.373 -7.951 5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.062 -6.378 5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.327 -6.694 5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.692 -9.592 7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.606 -8.384 7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.846 -9.181 8.738 1.00 0.00 H new ATOM 1248 N GLY A 74 -11.131 -8.153 11.135 1.00 0.00 N ATOM 1249 CA GLY A 74 -11.929 -9.027 12.003 1.00 0.00 C ATOM 1250 C GLY A 74 -13.188 -8.441 12.606 1.00 0.00 C ATOM 1251 O GLY A 74 -14.141 -9.155 12.904 1.00 0.00 O ATOM 0 H GLY A 74 -10.186 -8.042 11.502 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.209 -9.910 11.428 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.291 -9.367 12.818 1.00 0.00 H new ATOM 1255 N ARG A 75 -13.189 -7.103 12.804 1.00 0.00 N ATOM 1256 CA ARG A 75 -14.244 -6.312 13.429 1.00 0.00 C ATOM 1257 C ARG A 75 -15.404 -5.923 12.544 1.00 0.00 C ATOM 1258 O ARG A 75 -16.555 -5.879 12.968 1.00 0.00 O ATOM 1259 CB ARG A 75 -13.583 -5.013 13.890 1.00 0.00 C ATOM 1260 CG ARG A 75 -14.256 -4.189 14.991 1.00 0.00 C ATOM 1261 CD ARG A 75 -13.580 -2.813 15.097 1.00 0.00 C ATOM 1262 NE ARG A 75 -14.304 -1.986 16.122 1.00 0.00 N ATOM 1263 CZ ARG A 75 -13.970 -0.687 16.399 1.00 0.00 C ATOM 1264 NH1 ARG A 75 -12.947 -0.071 15.738 1.00 0.00 N ATOM 1265 NH2 ARG A 75 -14.671 -0.001 17.349 1.00 0.00 N ATOM 0 H ARG A 75 -12.402 -6.524 12.510 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.671 -6.935 14.215 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.577 -5.258 14.231 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.476 -4.370 13.016 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.317 -4.068 14.770 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.187 -4.713 15.944 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.533 -2.929 15.379 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.596 -2.311 14.130 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.078 -2.411 16.634 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.420 -0.579 15.027 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.709 0.897 15.955 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.437 -0.456 17.846 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.429 0.967 17.562 1.00 0.00 H new ATOM 1279 N GLU A 76 -15.084 -5.560 11.277 1.00 0.00 N ATOM 1280 CA GLU A 76 -15.993 -4.995 10.289 1.00 0.00 C ATOM 1281 C GLU A 76 -16.929 -5.984 9.651 1.00 0.00 C ATOM 1282 O GLU A 76 -17.930 -5.609 9.046 1.00 0.00 O ATOM 1283 CB GLU A 76 -15.182 -4.307 9.170 1.00 0.00 C ATOM 1284 CG GLU A 76 -14.300 -3.147 9.663 1.00 0.00 C ATOM 1285 CD GLU A 76 -15.082 -1.902 10.090 1.00 0.00 C ATOM 1286 OE1 GLU A 76 -16.321 -1.842 9.873 1.00 0.00 O ATOM 1287 OE2 GLU A 76 -14.425 -0.974 10.636 1.00 0.00 O ATOM 0 H GLU A 76 -14.136 -5.664 10.914 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.613 -4.290 10.843 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.550 -5.050 8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.871 -3.931 8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.701 -3.493 10.506 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.605 -2.871 8.870 1.00 0.00 H new ATOM 1294 N GLY A 77 -16.592 -7.291 9.764 1.00 0.00 N ATOM 1295 CA GLY A 77 -17.455 -8.330 9.192 1.00 0.00 C ATOM 1296 C GLY A 77 -17.211 -8.635 7.730 1.00 0.00 C ATOM 1297 O GLY A 77 -18.064 -9.178 7.038 1.00 0.00 O ATOM 0 H GLY A 77 -15.754 -7.635 10.232 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.322 -9.247 9.766 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -18.494 -8.025 9.315 1.00 0.00 H new ATOM 1301 N LEU A 78 -15.985 -8.336 7.240 1.00 0.00 N ATOM 1302 CA LEU A 78 -15.534 -8.732 5.904 1.00 0.00 C ATOM 1303 C LEU A 78 -14.619 -9.923 6.058 1.00 0.00 C ATOM 1304 O LEU A 78 -14.628 -10.773 5.195 1.00 0.00 O ATOM 1305 CB LEU A 78 -14.930 -7.645 4.986 1.00 0.00 C ATOM 1306 CG LEU A 78 -15.779 -6.341 4.993 1.00 0.00 C ATOM 1307 CD1 LEU A 78 -15.036 -5.008 5.197 1.00 0.00 C ATOM 1308 CD2 LEU A 78 -16.619 -6.320 3.705 1.00 0.00 C ATOM 0 H LEU A 78 -15.287 -7.812 7.768 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.441 -8.975 5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.915 -7.419 5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.861 -8.027 3.968 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.391 -6.394 5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.752 -4.186 5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.522 -5.021 6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.307 -4.872 4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.226 -5.415 3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.957 -6.336 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.269 -7.194 3.681 1.00 0.00 H new ATOM 1320 N CYS A 79 -13.807 -10.085 7.137 1.00 0.00 N ATOM 1321 CA CYS A 79 -12.927 -11.263 7.303 1.00 0.00 C ATOM 1322 C CYS A 79 -12.893 -11.878 8.698 1.00 0.00 C ATOM 1323 O CYS A 79 -12.801 -11.137 9.667 1.00 0.00 O ATOM 1324 CB CYS A 79 -11.473 -10.938 6.902 1.00 0.00 C ATOM 1325 SG CYS A 79 -11.300 -9.925 5.385 1.00 0.00 S ATOM 0 H CYS A 79 -13.747 -9.413 7.902 1.00 0.00 H new ATOM 0 HA CYS A 79 -13.379 -12.000 6.640 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -10.992 -10.414 7.728 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.933 -11.874 6.760 1.00 0.00 H new ATOM 0 HG CYS A 79 -12.356 -9.181 5.237 1.00 0.00 H new ATOM 1331 N LYS A 80 -12.900 -13.239 8.854 1.00 0.00 N ATOM 1332 CA LYS A 80 -12.847 -13.913 10.157 1.00 0.00 C ATOM 1333 C LYS A 80 -11.503 -14.554 10.408 1.00 0.00 C ATOM 1334 O LYS A 80 -11.031 -15.391 9.665 1.00 0.00 O ATOM 1335 CB LYS A 80 -13.903 -15.049 10.266 1.00 0.00 C ATOM 1336 CG LYS A 80 -15.328 -14.489 10.308 1.00 0.00 C ATOM 1337 CD LYS A 80 -16.446 -15.541 10.431 1.00 0.00 C ATOM 1338 CE LYS A 80 -16.584 -16.432 9.187 1.00 0.00 C ATOM 1339 NZ LYS A 80 -17.715 -17.379 9.335 1.00 0.00 N ATOM 0 H LYS A 80 -12.943 -13.885 8.066 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.044 -13.130 10.890 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.801 -15.724 9.416 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.715 -15.637 11.165 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.405 -13.801 11.150 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.498 -13.906 9.403 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.249 -16.170 11.299 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.394 -15.034 10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.739 -15.810 8.305 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.659 -16.986 9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.787 -17.969 8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.553 -17.986 10.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.599 -16.847 9.463 1.00 0.00 H new ATOM 1353 N VAL A 81 -10.822 -14.208 11.503 1.00 0.00 N ATOM 1354 CA VAL A 81 -9.464 -14.595 11.767 1.00 0.00 C ATOM 1355 C VAL A 81 -9.253 -15.770 12.707 1.00 0.00 C ATOM 1356 O VAL A 81 -10.065 -16.121 13.560 1.00 0.00 O ATOM 1357 CB VAL A 81 -8.752 -13.378 12.325 1.00 0.00 C ATOM 1358 CG1 VAL A 81 -9.675 -12.449 13.144 1.00 0.00 C ATOM 1359 CG2 VAL A 81 -8.144 -12.570 11.195 1.00 0.00 C ATOM 0 H VAL A 81 -11.226 -13.634 12.243 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.065 -14.949 10.816 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.984 -13.761 12.997 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.101 -11.599 13.513 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.486 -12.091 12.510 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.090 -13.000 13.988 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.635 -11.698 11.605 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.428 -13.186 10.651 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.932 -12.244 10.516 1.00 0.00 H new ATOM 1369 N ASP A 82 -8.050 -16.368 12.510 1.00 0.00 N ATOM 1370 CA ASP A 82 -7.494 -17.493 13.272 1.00 0.00 C ATOM 1371 C ASP A 82 -5.976 -17.334 13.378 1.00 0.00 C ATOM 1372 O ASP A 82 -5.342 -16.795 12.470 1.00 0.00 O ATOM 1373 CB ASP A 82 -7.773 -18.877 12.604 1.00 0.00 C ATOM 1374 CG ASP A 82 -9.274 -19.183 12.578 1.00 0.00 C ATOM 1375 OD1 ASP A 82 -9.862 -19.351 13.680 1.00 0.00 O ATOM 1376 OD2 ASP A 82 -9.847 -19.250 11.459 1.00 0.00 O ATOM 0 H ASP A 82 -7.416 -16.055 11.775 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.978 -17.475 14.249 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.380 -18.880 11.587 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.248 -19.661 13.150 1.00 0.00 H new ATOM 1381 N GLU A 83 -5.326 -17.819 14.476 1.00 0.00 N ATOM 1382 CA GLU A 83 -3.875 -17.762 14.636 1.00 0.00 C ATOM 1383 C GLU A 83 -3.305 -19.168 14.807 1.00 0.00 C ATOM 1384 O GLU A 83 -3.867 -20.034 15.482 1.00 0.00 O ATOM 1385 CB GLU A 83 -3.418 -16.824 15.781 1.00 0.00 C ATOM 1386 CG GLU A 83 -1.885 -16.609 15.822 1.00 0.00 C ATOM 1387 CD GLU A 83 -1.480 -15.546 16.842 1.00 0.00 C ATOM 1388 OE1 GLU A 83 -2.359 -15.064 17.605 1.00 0.00 O ATOM 1389 OE2 GLU A 83 -0.267 -15.207 16.871 1.00 0.00 O ATOM 0 H GLU A 83 -5.808 -18.255 15.262 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.474 -17.325 13.721 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.910 -15.858 15.668 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.745 -17.239 16.734 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.394 -17.551 16.066 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.534 -16.314 14.833 1.00 0.00 H new ATOM 1396 N THR A 84 -2.141 -19.369 14.140 1.00 0.00 N ATOM 1397 CA THR A 84 -1.318 -20.566 14.037 1.00 0.00 C ATOM 1398 C THR A 84 0.050 -20.280 14.574 1.00 0.00 C ATOM 1399 O THR A 84 0.368 -19.133 14.887 1.00 0.00 O ATOM 1400 CB THR A 84 -1.105 -21.001 12.551 1.00 0.00 C ATOM 1401 OG1 THR A 84 -0.296 -20.151 11.742 1.00 0.00 O ATOM 1402 CG2 THR A 84 -2.436 -21.078 11.798 1.00 0.00 C ATOM 0 H THR A 84 -1.725 -18.604 13.609 1.00 0.00 H new ATOM 0 HA THR A 84 -1.835 -21.349 14.592 1.00 0.00 H new ATOM 0 HB THR A 84 -0.597 -21.957 12.677 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.822 -19.824 10.983 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.254 -21.383 10.768 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.087 -21.806 12.282 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.916 -20.100 11.807 1.00 0.00 H new ATOM 1410 N PRO A 85 0.937 -21.293 14.635 1.00 0.00 N ATOM 1411 CA PRO A 85 2.341 -21.056 14.852 1.00 0.00 C ATOM 1412 C PRO A 85 3.153 -20.376 13.724 1.00 0.00 C ATOM 1413 O PRO A 85 4.337 -20.131 13.945 1.00 0.00 O ATOM 1414 CB PRO A 85 2.888 -22.451 15.191 1.00 0.00 C ATOM 1415 CG PRO A 85 1.685 -23.334 15.514 1.00 0.00 C ATOM 1416 CD PRO A 85 0.632 -22.729 14.611 1.00 0.00 C ATOM 0 HA PRO A 85 2.452 -20.305 15.634 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.452 -22.859 14.352 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.570 -22.402 16.040 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.871 -24.383 15.286 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.406 -23.281 16.566 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.690 -23.134 13.601 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.374 -22.931 14.978 1.00 0.00 H new ATOM 1424 N LYS A 86 2.568 -20.080 12.528 1.00 0.00 N ATOM 1425 CA LYS A 86 3.262 -19.488 11.402 1.00 0.00 C ATOM 1426 C LYS A 86 2.796 -18.055 11.106 1.00 0.00 C ATOM 1427 O LYS A 86 3.363 -17.386 10.243 1.00 0.00 O ATOM 1428 CB LYS A 86 3.033 -20.342 10.113 1.00 0.00 C ATOM 1429 CG LYS A 86 3.673 -21.749 10.106 1.00 0.00 C ATOM 1430 CD LYS A 86 2.886 -22.875 10.810 1.00 0.00 C ATOM 1431 CE LYS A 86 1.513 -23.170 10.181 1.00 0.00 C ATOM 1432 NZ LYS A 86 0.832 -24.275 10.897 1.00 0.00 N ATOM 0 H LYS A 86 1.581 -20.259 12.341 1.00 0.00 H new ATOM 0 HA LYS A 86 4.317 -19.463 11.675 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.959 -20.453 9.961 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.420 -19.785 9.259 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.834 -22.044 9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.655 -21.678 10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.484 -23.786 10.794 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.744 -22.605 11.856 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.893 -22.274 10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.638 -23.434 9.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.272 -24.833 10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.542 -24.887 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.203 -23.881 11.626 1.00 0.00 H new ATOM 1446 N GLY A 87 1.739 -17.546 11.798 1.00 0.00 N ATOM 1447 CA GLY A 87 1.211 -16.214 11.513 1.00 0.00 C ATOM 1448 C GLY A 87 -0.247 -16.029 11.826 1.00 0.00 C ATOM 1449 O GLY A 87 -0.881 -16.835 12.505 1.00 0.00 O ATOM 0 H GLY A 87 1.253 -18.043 12.544 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.785 -15.483 12.082 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.371 -15.994 10.458 1.00 0.00 H new ATOM 1453 N TRP A 88 -0.822 -14.945 11.241 1.00 0.00 N ATOM 1454 CA TRP A 88 -2.219 -14.541 11.312 1.00 0.00 C ATOM 1455 C TRP A 88 -2.883 -14.761 9.956 1.00 0.00 C ATOM 1456 O TRP A 88 -2.556 -14.143 8.941 1.00 0.00 O ATOM 1457 CB TRP A 88 -2.348 -13.059 11.755 1.00 0.00 C ATOM 1458 CG TRP A 88 -2.452 -12.905 13.257 1.00 0.00 C ATOM 1459 CD1 TRP A 88 -1.474 -12.832 14.197 1.00 0.00 C ATOM 1460 CD2 TRP A 88 -3.696 -12.847 13.965 1.00 0.00 C ATOM 1461 NE1 TRP A 88 -2.032 -12.680 15.452 1.00 0.00 N ATOM 1462 CE2 TRP A 88 -3.401 -12.717 15.315 1.00 0.00 C ATOM 1463 CE3 TRP A 88 -4.980 -12.865 13.521 1.00 0.00 C ATOM 1464 CZ2 TRP A 88 -4.396 -12.632 16.240 1.00 0.00 C ATOM 1465 CZ3 TRP A 88 -5.970 -12.682 14.463 1.00 0.00 C ATOM 1466 CH2 TRP A 88 -5.693 -12.610 15.803 1.00 0.00 C ATOM 0 H TRP A 88 -0.271 -14.300 10.675 1.00 0.00 H new ATOM 0 HA TRP A 88 -2.725 -15.152 12.060 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -1.484 -12.500 11.396 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.229 -12.620 11.287 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -0.415 -12.885 13.993 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -1.520 -12.561 16.326 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -5.214 -13.016 12.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -4.167 -12.583 17.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.995 -12.593 14.135 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.500 -12.536 16.516 1.00 0.00 H new ATOM 1477 N TYR A 89 -3.869 -15.700 9.964 1.00 0.00 N ATOM 1478 CA TYR A 89 -4.651 -16.188 8.849 1.00 0.00 C ATOM 1479 C TYR A 89 -6.042 -15.635 8.996 1.00 0.00 C ATOM 1480 O TYR A 89 -6.570 -15.504 10.101 1.00 0.00 O ATOM 1481 CB TYR A 89 -4.722 -17.749 8.790 1.00 0.00 C ATOM 1482 CG TYR A 89 -3.345 -18.280 8.511 1.00 0.00 C ATOM 1483 CD1 TYR A 89 -3.021 -18.716 7.243 1.00 0.00 C ATOM 1484 CD2 TYR A 89 -2.361 -18.264 9.483 1.00 0.00 C ATOM 1485 CE1 TYR A 89 -1.731 -19.091 6.932 1.00 0.00 C ATOM 1486 CE2 TYR A 89 -1.055 -18.554 9.164 1.00 0.00 C ATOM 1487 CZ TYR A 89 -0.741 -18.981 7.891 1.00 0.00 C ATOM 1488 OH TYR A 89 0.589 -19.314 7.580 1.00 0.00 O ATOM 0 H TYR A 89 -4.141 -16.158 10.834 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.173 -15.862 7.925 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -5.097 -18.147 9.733 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.415 -18.067 8.011 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.788 -18.764 6.484 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.621 -18.021 10.503 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.496 -19.468 5.947 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.279 -18.448 9.907 1.00 0.00 H new ATOM 0 HH TYR A 89 1.154 -19.177 8.369 1.00 0.00 H new ATOM 1498 N ILE A 90 -6.667 -15.291 7.864 1.00 0.00 N ATOM 1499 CA ILE A 90 -7.990 -14.737 7.763 1.00 0.00 C ATOM 1500 C ILE A 90 -8.737 -15.623 6.810 1.00 0.00 C ATOM 1501 O ILE A 90 -8.228 -16.003 5.760 1.00 0.00 O ATOM 1502 CB ILE A 90 -8.015 -13.266 7.291 1.00 0.00 C ATOM 1503 CG1 ILE A 90 -7.821 -13.018 5.765 1.00 0.00 C ATOM 1504 CG2 ILE A 90 -6.866 -12.534 7.975 1.00 0.00 C ATOM 1505 CD1 ILE A 90 -8.074 -11.593 5.284 1.00 0.00 C ATOM 0 H ILE A 90 -6.224 -15.405 6.952 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.451 -14.710 8.750 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.016 -12.916 7.543 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.801 -13.295 5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.486 -13.688 5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.860 -11.491 7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.994 -12.585 9.056 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.921 -13.002 7.699 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.909 -11.538 4.208 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -9.102 -11.310 5.509 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.391 -10.911 5.791 1.00 0.00 H new ATOM 1517 N GLN A 91 -9.993 -15.952 7.120 1.00 0.00 N ATOM 1518 CA GLN A 91 -10.930 -16.639 6.291 1.00 0.00 C ATOM 1519 C GLN A 91 -12.063 -15.661 6.149 1.00 0.00 C ATOM 1520 O GLN A 91 -12.740 -15.296 7.104 1.00 0.00 O ATOM 1521 CB GLN A 91 -11.204 -18.090 6.719 1.00 0.00 C ATOM 1522 CG GLN A 91 -12.143 -18.252 7.909 1.00 0.00 C ATOM 1523 CD GLN A 91 -12.247 -19.742 8.219 1.00 0.00 C ATOM 1524 OE1 GLN A 91 -11.562 -20.337 9.052 1.00 0.00 O ATOM 1525 NE2 GLN A 91 -13.114 -20.409 7.415 1.00 0.00 N ATOM 0 H GLN A 91 -10.391 -15.718 8.030 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.570 -16.885 5.292 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -11.624 -18.629 5.870 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.253 -18.566 6.960 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -11.763 -17.707 8.773 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -13.126 -17.840 7.680 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.672 -19.898 6.732 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.207 -21.422 7.494 1.00 0.00 H new ATOM 1534 N TYR A 92 -12.235 -15.130 4.926 1.00 0.00 N ATOM 1535 CA TYR A 92 -13.185 -14.107 4.520 1.00 0.00 C ATOM 1536 C TYR A 92 -14.669 -14.472 4.749 1.00 0.00 C ATOM 1537 O TYR A 92 -15.063 -15.638 4.760 1.00 0.00 O ATOM 1538 CB TYR A 92 -12.676 -13.407 3.218 1.00 0.00 C ATOM 1539 CG TYR A 92 -13.623 -12.516 2.429 1.00 0.00 C ATOM 1540 CD1 TYR A 92 -13.638 -11.157 2.652 1.00 0.00 C ATOM 1541 CD2 TYR A 92 -14.513 -13.003 1.495 1.00 0.00 C ATOM 1542 CE1 TYR A 92 -14.571 -10.324 2.071 1.00 0.00 C ATOM 1543 CE2 TYR A 92 -15.441 -12.187 0.892 1.00 0.00 C ATOM 1544 CZ TYR A 92 -15.468 -10.844 1.159 1.00 0.00 C ATOM 1545 OH TYR A 92 -16.425 -10.071 0.473 1.00 0.00 O ATOM 0 H TYR A 92 -11.662 -15.437 4.140 1.00 0.00 H new ATOM 0 HA TYR A 92 -13.217 -13.266 5.213 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -11.809 -12.804 3.489 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -12.324 -14.187 2.544 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -12.892 -10.728 3.305 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -14.480 -14.050 1.231 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -14.600 -9.275 2.327 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -16.156 -12.609 0.201 1.00 0.00 H new ATOM 0 HH TYR A 92 -16.948 -10.649 -0.120 1.00 0.00 H new ATOM 1555 N ILE A 93 -15.504 -13.456 5.038 1.00 0.00 N ATOM 1556 CA ILE A 93 -16.943 -13.444 5.258 1.00 0.00 C ATOM 1557 C ILE A 93 -17.479 -13.190 3.883 1.00 0.00 C ATOM 1558 O ILE A 93 -17.180 -12.143 3.335 1.00 0.00 O ATOM 1559 CB ILE A 93 -17.339 -12.292 6.194 1.00 0.00 C ATOM 1560 CG1 ILE A 93 -16.666 -12.577 7.552 1.00 0.00 C ATOM 1561 CG2 ILE A 93 -18.870 -12.093 6.217 1.00 0.00 C ATOM 1562 CD1 ILE A 93 -17.294 -12.022 8.829 1.00 0.00 C ATOM 0 H ILE A 93 -15.128 -12.513 5.132 1.00 0.00 H new ATOM 0 HA ILE A 93 -17.317 -14.358 5.719 1.00 0.00 H new ATOM 0 HB ILE A 93 -16.981 -11.322 5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -16.599 -13.659 7.664 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -15.645 -12.198 7.498 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -19.120 -11.271 6.888 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -19.222 -11.861 5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -19.350 -13.006 6.568 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -16.692 -12.317 9.688 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -17.335 -10.934 8.771 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -18.304 -12.418 8.940 1.00 0.00 H new ATOM 1574 N ASP A 94 -18.228 -14.127 3.253 1.00 0.00 N ATOM 1575 CA ASP A 94 -18.612 -14.057 1.833 1.00 0.00 C ATOM 1576 C ASP A 94 -19.500 -12.940 1.304 1.00 0.00 C ATOM 1577 O ASP A 94 -19.682 -12.783 0.100 1.00 0.00 O ATOM 1578 CB ASP A 94 -19.108 -15.417 1.274 1.00 0.00 C ATOM 1579 CG ASP A 94 -20.042 -16.125 2.265 1.00 0.00 C ATOM 1580 OD1 ASP A 94 -21.064 -15.513 2.676 1.00 0.00 O ATOM 1581 OD2 ASP A 94 -19.734 -17.291 2.630 1.00 0.00 O ATOM 0 H ASP A 94 -18.583 -14.958 3.726 1.00 0.00 H new ATOM 0 HA ASP A 94 -17.636 -13.768 1.443 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -19.631 -15.255 0.331 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -18.252 -16.057 1.058 1.00 0.00 H new ATOM 1586 N ARG A 95 -20.076 -12.133 2.216 1.00 0.00 N ATOM 1587 CA ARG A 95 -20.923 -10.968 2.012 1.00 0.00 C ATOM 1588 C ARG A 95 -22.243 -11.367 1.361 1.00 0.00 C ATOM 1589 O ARG A 95 -23.121 -11.961 1.987 1.00 0.00 O ATOM 1590 CB ARG A 95 -20.082 -9.809 1.418 1.00 0.00 C ATOM 1591 CG ARG A 95 -18.839 -9.584 2.310 1.00 0.00 C ATOM 1592 CD ARG A 95 -19.108 -9.267 3.771 1.00 0.00 C ATOM 1593 NE ARG A 95 -19.769 -7.920 3.901 1.00 0.00 N ATOM 1594 CZ ARG A 95 -20.583 -7.570 4.946 1.00 0.00 C ATOM 1595 NH1 ARG A 95 -20.899 -8.468 5.923 1.00 0.00 N ATOM 1596 NH2 ARG A 95 -21.086 -6.303 5.006 1.00 0.00 N ATOM 0 H ARG A 95 -19.938 -12.309 3.211 1.00 0.00 H new ATOM 0 HA ARG A 95 -21.283 -10.530 2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -19.777 -10.048 0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -20.679 -8.898 1.366 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -18.217 -10.478 2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -18.256 -8.767 1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -19.746 -10.036 4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -18.172 -9.276 4.330 1.00 0.00 H new ATOM 0 HE ARG A 95 -19.601 -7.229 3.170 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -20.528 -9.417 5.883 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -21.507 -8.190 6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -20.855 -5.628 4.277 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -21.693 -6.031 5.779 1.00 0.00 H new ATOM 1610 N ASP A 96 -22.336 -11.138 0.043 1.00 0.00 N ATOM 1611 CA ASP A 96 -23.285 -11.788 -0.853 1.00 0.00 C ATOM 1612 C ASP A 96 -22.490 -12.834 -1.615 1.00 0.00 C ATOM 1613 O ASP A 96 -21.744 -12.362 -2.469 1.00 0.00 O ATOM 1614 CB ASP A 96 -23.971 -10.790 -1.824 1.00 0.00 C ATOM 1615 CG ASP A 96 -25.124 -11.402 -2.634 1.00 0.00 C ATOM 1616 OD1 ASP A 96 -25.063 -11.332 -3.890 1.00 0.00 O ATOM 1617 OD2 ASP A 96 -26.073 -11.940 -2.005 1.00 0.00 O ATOM 0 H ASP A 96 -21.730 -10.473 -0.438 1.00 0.00 H new ATOM 0 HA ASP A 96 -24.100 -12.233 -0.282 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -24.351 -9.944 -1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -23.224 -10.398 -2.514 1.00 0.00 H new ATOM 1622 N PRO A 97 -22.522 -14.184 -1.479 1.00 0.00 N ATOM 1623 CA PRO A 97 -21.658 -15.116 -2.207 1.00 0.00 C ATOM 1624 C PRO A 97 -21.729 -15.119 -3.721 1.00 0.00 C ATOM 1625 O PRO A 97 -20.778 -15.565 -4.348 1.00 0.00 O ATOM 1626 CB PRO A 97 -21.939 -16.504 -1.695 1.00 0.00 C ATOM 1627 CG PRO A 97 -22.575 -16.261 -0.330 1.00 0.00 C ATOM 1628 CD PRO A 97 -23.212 -14.856 -0.399 1.00 0.00 C ATOM 0 HA PRO A 97 -20.646 -14.763 -2.008 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -22.611 -17.048 -2.359 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -21.026 -17.093 -1.613 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -23.326 -17.019 -0.109 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -21.828 -16.312 0.463 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -24.283 -14.917 -0.593 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -23.088 -14.320 0.542 1.00 0.00 H new ATOM 1636 N GLU A 98 -22.772 -14.514 -4.365 1.00 0.00 N ATOM 1637 CA GLU A 98 -22.783 -14.250 -5.809 1.00 0.00 C ATOM 1638 C GLU A 98 -21.715 -13.216 -6.154 1.00 0.00 C ATOM 1639 O GLU A 98 -21.103 -13.271 -7.207 1.00 0.00 O ATOM 1640 CB GLU A 98 -24.133 -13.797 -6.417 1.00 0.00 C ATOM 1641 CG GLU A 98 -25.226 -14.886 -6.434 1.00 0.00 C ATOM 1642 CD GLU A 98 -25.721 -15.218 -5.026 1.00 0.00 C ATOM 1643 OE1 GLU A 98 -25.553 -16.391 -4.596 1.00 0.00 O ATOM 1644 OE2 GLU A 98 -26.274 -14.301 -4.360 1.00 0.00 O ATOM 0 H GLU A 98 -23.617 -14.203 -3.886 1.00 0.00 H new ATOM 0 HA GLU A 98 -22.581 -15.222 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -24.501 -12.940 -5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -23.961 -13.457 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -26.064 -14.549 -7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -24.833 -15.788 -6.903 1.00 0.00 H new ATOM 1651 N THR A 99 -21.320 -12.328 -5.185 1.00 0.00 N ATOM 1652 CA THR A 99 -20.189 -11.404 -5.323 1.00 0.00 C ATOM 1653 C THR A 99 -18.854 -12.114 -5.533 1.00 0.00 C ATOM 1654 O THR A 99 -18.048 -11.633 -6.307 1.00 0.00 O ATOM 1655 CB THR A 99 -20.096 -10.364 -4.174 1.00 0.00 C ATOM 1656 OG1 THR A 99 -19.859 -9.060 -4.679 1.00 0.00 O ATOM 1657 CG2 THR A 99 -18.996 -10.653 -3.124 1.00 0.00 C ATOM 0 H THR A 99 -21.795 -12.249 -4.286 1.00 0.00 H new ATOM 0 HA THR A 99 -20.403 -10.847 -6.235 1.00 0.00 H new ATOM 0 HB THR A 99 -21.064 -10.438 -3.679 1.00 0.00 H new ATOM 0 HG1 THR A 99 -20.392 -8.411 -4.173 1.00 0.00 H new ATOM 0 HG21 THR A 99 -19.007 -9.874 -2.362 1.00 0.00 H new ATOM 0 HG22 THR A 99 -19.183 -11.620 -2.657 1.00 0.00 H new ATOM 0 HG23 THR A 99 -18.022 -10.669 -3.613 1.00 0.00 H new ATOM 1665 N ILE A 100 -18.662 -13.288 -4.862 1.00 0.00 N ATOM 1666 CA ILE A 100 -17.539 -14.229 -4.880 1.00 0.00 C ATOM 1667 C ILE A 100 -17.527 -15.022 -6.162 1.00 0.00 C ATOM 1668 O ILE A 100 -16.531 -15.093 -6.862 1.00 0.00 O ATOM 1669 CB ILE A 100 -17.719 -15.295 -3.802 1.00 0.00 C ATOM 1670 CG1 ILE A 100 -18.153 -14.704 -2.465 1.00 0.00 C ATOM 1671 CG2 ILE A 100 -16.406 -16.087 -3.653 1.00 0.00 C ATOM 1672 CD1 ILE A 100 -17.098 -14.024 -1.645 1.00 0.00 C ATOM 0 H ILE A 100 -19.386 -13.621 -4.225 1.00 0.00 H new ATOM 0 HA ILE A 100 -16.638 -13.631 -4.744 1.00 0.00 H new ATOM 0 HB ILE A 100 -18.521 -15.964 -4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -18.949 -13.985 -2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.584 -15.505 -1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -16.527 -16.850 -2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -16.159 -16.563 -4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.602 -15.408 -3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -17.540 -13.650 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -16.307 -14.736 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -16.679 -13.191 -2.210 1.00 0.00 H new ATOM 1684 N ARG A 101 -18.691 -15.623 -6.528 1.00 0.00 N ATOM 1685 CA ARG A 101 -18.907 -16.479 -7.696 1.00 0.00 C ATOM 1686 C ARG A 101 -18.852 -15.662 -8.989 1.00 0.00 C ATOM 1687 O ARG A 101 -18.185 -16.031 -9.949 1.00 0.00 O ATOM 1688 CB ARG A 101 -20.243 -17.257 -7.544 1.00 0.00 C ATOM 1689 CG ARG A 101 -20.344 -18.143 -6.279 1.00 0.00 C ATOM 1690 CD ARG A 101 -21.726 -18.798 -6.143 1.00 0.00 C ATOM 1691 NE ARG A 101 -21.794 -19.487 -4.805 1.00 0.00 N ATOM 1692 CZ ARG A 101 -22.966 -19.768 -4.156 1.00 0.00 C ATOM 1693 NH1 ARG A 101 -24.172 -19.463 -4.717 1.00 0.00 N ATOM 1694 NH2 ARG A 101 -22.925 -20.358 -2.924 1.00 0.00 N ATOM 0 H ARG A 101 -19.542 -15.508 -5.977 1.00 0.00 H new ATOM 0 HA ARG A 101 -18.103 -17.213 -7.756 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -21.064 -16.540 -7.534 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -20.381 -17.887 -8.423 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -19.578 -18.918 -6.317 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -20.141 -17.538 -5.396 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -22.512 -18.047 -6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -21.887 -19.515 -6.948 1.00 0.00 H new ATOM 0 HE ARG A 101 -20.918 -19.759 -4.358 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -24.210 -19.018 -5.634 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -25.035 -19.680 -4.219 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -22.027 -20.585 -2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -23.792 -20.572 -2.432 1.00 0.00 H new ATOM 1708 N ARG A 102 -19.443 -14.425 -8.986 1.00 0.00 N ATOM 1709 CA ARG A 102 -19.290 -13.424 -10.052 1.00 0.00 C ATOM 1710 C ARG A 102 -17.866 -12.846 -10.077 1.00 0.00 C ATOM 1711 O ARG A 102 -17.363 -12.460 -11.131 1.00 0.00 O ATOM 1712 CB ARG A 102 -20.327 -12.257 -10.094 1.00 0.00 C ATOM 1713 CG ARG A 102 -21.827 -12.649 -10.106 1.00 0.00 C ATOM 1714 CD ARG A 102 -22.151 -13.976 -10.792 1.00 0.00 C ATOM 1715 NE ARG A 102 -23.642 -14.167 -10.823 1.00 0.00 N ATOM 1716 CZ ARG A 102 -24.229 -15.362 -11.147 1.00 0.00 C ATOM 1717 NH1 ARG A 102 -23.472 -16.446 -11.483 1.00 0.00 N ATOM 1718 NH2 ARG A 102 -25.591 -15.467 -11.132 1.00 0.00 N ATOM 0 H ARG A 102 -20.044 -14.108 -8.225 1.00 0.00 H new ATOM 0 HA ARG A 102 -19.498 -14.006 -10.949 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -20.151 -11.616 -9.230 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -20.126 -11.657 -10.982 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -22.181 -12.695 -9.076 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -22.388 -11.857 -10.601 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -21.751 -13.982 -11.806 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -21.678 -14.800 -10.258 1.00 0.00 H new ATOM 0 HE ARG A 102 -24.241 -13.374 -10.593 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -22.455 -16.374 -11.495 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -23.923 -17.329 -11.722 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -26.162 -14.660 -10.881 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -26.037 -16.352 -11.372 1.00 0.00 H new ATOM 1732 N GLN A 103 -17.163 -12.871 -8.905 1.00 0.00 N ATOM 1733 CA GLN A 103 -15.750 -12.522 -8.773 1.00 0.00 C ATOM 1734 C GLN A 103 -14.744 -13.523 -9.324 1.00 0.00 C ATOM 1735 O GLN A 103 -13.783 -13.148 -9.981 1.00 0.00 O ATOM 1736 CB GLN A 103 -15.326 -11.896 -7.433 1.00 0.00 C ATOM 1737 CG GLN A 103 -15.605 -10.390 -7.547 1.00 0.00 C ATOM 1738 CD GLN A 103 -15.385 -9.585 -6.285 1.00 0.00 C ATOM 1739 OE1 GLN A 103 -14.483 -8.761 -6.144 1.00 0.00 O ATOM 1740 NE2 GLN A 103 -16.311 -9.789 -5.336 1.00 0.00 N ATOM 0 H GLN A 103 -17.589 -13.143 -8.019 1.00 0.00 H new ATOM 0 HA GLN A 103 -15.698 -11.695 -9.481 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -15.886 -12.333 -6.606 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.270 -12.081 -7.235 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.971 -9.980 -8.333 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -16.638 -10.254 -7.868 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -17.047 -10.480 -5.482 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -16.279 -9.253 -4.469 1.00 0.00 H new ATOM 1749 N LEU A 104 -14.927 -14.841 -9.089 1.00 0.00 N ATOM 1750 CA LEU A 104 -14.045 -15.891 -9.604 1.00 0.00 C ATOM 1751 C LEU A 104 -14.353 -16.260 -11.057 1.00 0.00 C ATOM 1752 O LEU A 104 -13.463 -16.529 -11.854 1.00 0.00 O ATOM 1753 CB LEU A 104 -13.989 -17.224 -8.785 1.00 0.00 C ATOM 1754 CG LEU A 104 -14.441 -17.240 -7.313 1.00 0.00 C ATOM 1755 CD1 LEU A 104 -14.333 -18.655 -6.708 1.00 0.00 C ATOM 1756 CD2 LEU A 104 -13.717 -16.223 -6.429 1.00 0.00 C ATOM 0 H LEU A 104 -15.701 -15.201 -8.530 1.00 0.00 H new ATOM 0 HA LEU A 104 -13.070 -15.414 -9.509 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.593 -17.958 -9.318 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.959 -17.579 -8.812 1.00 0.00 H new ATOM 0 HG LEU A 104 -15.488 -16.937 -7.331 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -14.659 -18.632 -5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.965 -19.341 -7.272 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.298 -18.993 -6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.091 -16.297 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -12.647 -16.429 -6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -13.896 -15.217 -6.809 1.00 0.00 H new ATOM 1768 N GLU A 105 -15.668 -16.342 -11.408 1.00 0.00 N ATOM 1769 CA GLU A 105 -16.153 -16.765 -12.721 1.00 0.00 C ATOM 1770 C GLU A 105 -16.182 -15.705 -13.827 1.00 0.00 C ATOM 1771 O GLU A 105 -15.627 -15.934 -14.894 1.00 0.00 O ATOM 1772 CB GLU A 105 -17.543 -17.454 -12.627 1.00 0.00 C ATOM 1773 CG GLU A 105 -17.581 -18.601 -11.592 1.00 0.00 C ATOM 1774 CD GLU A 105 -18.953 -19.280 -11.553 1.00 0.00 C ATOM 1775 OE1 GLU A 105 -19.100 -20.238 -10.748 1.00 0.00 O ATOM 1776 OE2 GLU A 105 -19.869 -18.857 -12.308 1.00 0.00 O ATOM 0 H GLU A 105 -16.422 -16.108 -10.762 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.386 -17.474 -13.033 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -18.294 -16.709 -12.363 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -17.814 -17.847 -13.607 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -16.816 -19.338 -11.837 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -17.340 -18.208 -10.604 1.00 0.00 H new