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 :FLIP amide:sc= 0 F(o=-1.8,f=-0.61) USER MOD Set 1.2: A 57 HIS : no HD1:sc= -0.607 K(o=-0.61,f=-3.9!) USER MOD Set 2.1: A 16 MET CE :methyl -168:sc= -2.84! (180deg=-2.84) USER MOD Set 2.2: A 20 SER OG : rot -34:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.16 K(o=1.2,f=-0.087) USER MOD Single : A 37 THR OG1 : rot 40:sc= 0.288 USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0485) USER MOD Single : A 41 HIS : no HD1:sc= -3.45! C(o=-3.5!,f=-8.3!) USER MOD Single : A 42 ASN : amide:sc= -1.78 K(o=-1.8,f=-7.4!) USER MOD Single : A 46 TYR OH : rot 90:sc= 1.43 USER MOD Single : A 47 ASN : amide:sc= -1.85! X(o=-1.9!,f=-1.9) USER MOD Single : A 49 TYR OH : rot -18:sc= -0.0599 USER MOD Single : A 51 SER OG : rot -39:sc= 0.536 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.697 F(o=-2.7!,f=-0.7) USER MOD Single : A 58 MET CE :methyl 153:sc= -2.81! (180deg=-4.39!) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.0778 F(o=-0.73,f=-0.078) USER MOD Single : A 61 THR OG1 : rot -156:sc= 1.87 USER MOD Single : A 62 GLN : amide:sc= -0.0174 K(o=-0.017,f=-1.5!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -82:sc= 1.89 USER MOD Single : A 70 THR OG1 : rot 170:sc= 0.265 USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.099) USER MOD Single : A 79 CYS SG : rot 38:sc= -5.64! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -112:sc= 1.63 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 X(o=0,f=-0.02) USER MOD Single : A 92 TYR OH : rot -100:sc= -0.146 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0.0745 K(o=0.075,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 241 N MET A 16 -3.680 6.467 6.799 1.00 0.00 N ATOM 242 CA MET A 16 -4.509 5.250 6.868 1.00 0.00 C ATOM 243 C MET A 16 -5.850 5.489 6.188 1.00 0.00 C ATOM 244 O MET A 16 -6.365 4.616 5.511 1.00 0.00 O ATOM 245 CB MET A 16 -4.661 4.643 8.290 1.00 0.00 C ATOM 246 CG MET A 16 -5.286 3.216 8.383 1.00 0.00 C ATOM 247 SD MET A 16 -7.102 3.110 8.660 1.00 0.00 S ATOM 248 CE MET A 16 -7.319 1.303 8.883 1.00 0.00 C ATOM 0 HA MET A 16 -3.967 4.480 6.319 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.675 4.613 8.754 1.00 0.00 H new ATOM 0 HB3 MET A 16 -5.273 5.321 8.885 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.053 2.685 7.460 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.789 2.682 9.193 1.00 0.00 H new ATOM 0 HE1 MET A 16 -8.380 1.057 8.847 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.796 0.773 8.087 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.910 1.004 9.848 1.00 0.00 H new ATOM 258 N ASP A 17 -6.384 6.743 6.213 1.00 0.00 N ATOM 259 CA ASP A 17 -7.556 7.190 5.437 1.00 0.00 C ATOM 260 C ASP A 17 -7.325 7.108 3.914 1.00 0.00 C ATOM 261 O ASP A 17 -8.145 6.594 3.163 1.00 0.00 O ATOM 262 CB ASP A 17 -7.968 8.644 5.803 1.00 0.00 C ATOM 263 CG ASP A 17 -8.228 8.741 7.310 1.00 0.00 C ATOM 264 OD1 ASP A 17 -7.478 9.487 7.994 1.00 0.00 O ATOM 265 OD2 ASP A 17 -9.177 8.068 7.791 1.00 0.00 O ATOM 0 H ASP A 17 -5.993 7.485 6.793 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.360 6.505 5.704 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.180 9.340 5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.863 8.929 5.250 1.00 0.00 H new ATOM 270 N TYR A 18 -6.127 7.565 3.455 1.00 0.00 N ATOM 271 CA TYR A 18 -5.624 7.478 2.088 1.00 0.00 C ATOM 272 C TYR A 18 -5.240 6.053 1.608 1.00 0.00 C ATOM 273 O TYR A 18 -5.723 5.590 0.574 1.00 0.00 O ATOM 274 CB TYR A 18 -4.401 8.457 2.036 1.00 0.00 C ATOM 275 CG TYR A 18 -3.755 8.640 0.681 1.00 0.00 C ATOM 276 CD1 TYR A 18 -4.478 9.130 -0.393 1.00 0.00 C ATOM 277 CD2 TYR A 18 -2.418 8.324 0.503 1.00 0.00 C ATOM 278 CE1 TYR A 18 -3.876 9.304 -1.625 1.00 0.00 C ATOM 279 CE2 TYR A 18 -1.816 8.497 -0.731 1.00 0.00 C ATOM 280 CZ TYR A 18 -2.545 8.996 -1.793 1.00 0.00 C ATOM 281 OH TYR A 18 -1.950 9.207 -3.058 1.00 0.00 O ATOM 0 H TYR A 18 -5.463 8.026 4.077 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.420 7.751 1.395 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.727 9.433 2.396 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.643 8.097 2.732 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.521 9.378 -0.267 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.842 7.940 1.332 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.451 9.682 -2.457 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.775 8.242 -0.864 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.006 8.945 -3.023 1.00 0.00 H new ATOM 291 N PHE A 19 -4.367 5.319 2.366 1.00 0.00 N ATOM 292 CA PHE A 19 -3.894 3.960 2.092 1.00 0.00 C ATOM 293 C PHE A 19 -4.895 2.847 2.361 1.00 0.00 C ATOM 294 O PHE A 19 -5.021 1.935 1.545 1.00 0.00 O ATOM 295 CB PHE A 19 -2.482 3.650 2.673 1.00 0.00 C ATOM 296 CG PHE A 19 -1.395 4.521 2.060 1.00 0.00 C ATOM 297 CD1 PHE A 19 -1.267 4.678 0.684 1.00 0.00 C ATOM 298 CD2 PHE A 19 -0.425 5.099 2.865 1.00 0.00 C ATOM 299 CE1 PHE A 19 -0.192 5.351 0.137 1.00 0.00 C ATOM 300 CE2 PHE A 19 0.653 5.776 2.325 1.00 0.00 C ATOM 301 CZ PHE A 19 0.771 5.902 0.956 1.00 0.00 C ATOM 0 H PHE A 19 -3.965 5.696 3.224 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.784 3.964 1.008 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.496 3.799 3.753 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.243 2.601 2.499 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.022 4.266 0.031 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.514 5.019 3.938 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.105 5.446 -0.935 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.402 6.206 2.974 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.612 6.428 0.529 1.00 0.00 H new ATOM 311 N SER A 20 -5.707 2.917 3.468 1.00 0.00 N ATOM 312 CA SER A 20 -6.786 1.956 3.796 1.00 0.00 C ATOM 313 C SER A 20 -7.935 2.014 2.803 1.00 0.00 C ATOM 314 O SER A 20 -8.549 0.994 2.523 1.00 0.00 O ATOM 315 CB SER A 20 -7.287 1.918 5.273 1.00 0.00 C ATOM 316 OG SER A 20 -7.806 0.642 5.665 1.00 0.00 O ATOM 0 H SER A 20 -5.617 3.661 4.160 1.00 0.00 H new ATOM 0 HA SER A 20 -6.280 0.996 3.692 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.464 2.186 5.935 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.062 2.673 5.406 1.00 0.00 H new ATOM 0 HG SER A 20 -8.243 0.217 4.898 1.00 0.00 H new ATOM 322 N GLU A 21 -8.219 3.198 2.175 1.00 0.00 N ATOM 323 CA GLU A 21 -9.154 3.346 1.055 1.00 0.00 C ATOM 324 C GLU A 21 -8.658 2.720 -0.259 1.00 0.00 C ATOM 325 O GLU A 21 -9.468 2.169 -0.995 1.00 0.00 O ATOM 326 CB GLU A 21 -9.595 4.816 0.837 1.00 0.00 C ATOM 327 CG GLU A 21 -10.636 5.292 1.875 1.00 0.00 C ATOM 328 CD GLU A 21 -11.963 4.554 1.689 1.00 0.00 C ATOM 329 OE1 GLU A 21 -12.573 4.697 0.596 1.00 0.00 O ATOM 330 OE2 GLU A 21 -12.383 3.839 2.638 1.00 0.00 O ATOM 0 H GLU A 21 -7.788 4.080 2.452 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.032 2.774 1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.719 5.464 0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.014 4.920 -0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.257 5.120 2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.794 6.366 1.773 1.00 0.00 H new ATOM 337 N GLU A 22 -7.326 2.748 -0.578 1.00 0.00 N ATOM 338 CA GLU A 22 -6.725 2.023 -1.713 1.00 0.00 C ATOM 339 C GLU A 22 -6.581 0.519 -1.447 1.00 0.00 C ATOM 340 O GLU A 22 -7.041 -0.322 -2.227 1.00 0.00 O ATOM 341 CB GLU A 22 -5.355 2.664 -2.098 1.00 0.00 C ATOM 342 CG GLU A 22 -5.122 2.864 -3.614 1.00 0.00 C ATOM 343 CD GLU A 22 -4.714 1.593 -4.360 1.00 0.00 C ATOM 344 OE1 GLU A 22 -4.694 1.643 -5.620 1.00 0.00 O ATOM 345 OE2 GLU A 22 -4.403 0.567 -3.701 1.00 0.00 O ATOM 0 H GLU A 22 -6.645 3.284 -0.040 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.409 2.118 -2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.274 3.632 -1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.555 2.037 -1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.035 3.257 -4.061 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.348 3.618 -3.755 1.00 0.00 H new ATOM 352 N PHE A 23 -5.983 0.176 -0.257 1.00 0.00 N ATOM 353 CA PHE A 23 -5.726 -1.166 0.270 1.00 0.00 C ATOM 354 C PHE A 23 -6.991 -1.972 0.469 1.00 0.00 C ATOM 355 O PHE A 23 -7.095 -3.065 -0.056 1.00 0.00 O ATOM 356 CB PHE A 23 -4.941 -1.108 1.637 1.00 0.00 C ATOM 357 CG PHE A 23 -4.557 -2.436 2.267 1.00 0.00 C ATOM 358 CD1 PHE A 23 -4.810 -2.700 3.605 1.00 0.00 C ATOM 359 CD2 PHE A 23 -3.951 -3.419 1.515 1.00 0.00 C ATOM 360 CE1 PHE A 23 -4.389 -3.877 4.181 1.00 0.00 C ATOM 361 CE2 PHE A 23 -3.608 -4.627 2.070 1.00 0.00 C ATOM 362 CZ PHE A 23 -3.813 -4.860 3.406 1.00 0.00 C ATOM 0 H PHE A 23 -5.654 0.896 0.386 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.118 -1.664 -0.485 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.030 -0.531 1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.549 -0.556 2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.343 -1.974 4.201 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.742 -3.236 0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.510 -4.031 5.243 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.174 -5.398 1.451 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.526 -5.804 3.846 1.00 0.00 H new ATOM 372 N ARG A 24 -8.012 -1.440 1.189 1.00 0.00 N ATOM 373 CA ARG A 24 -9.263 -2.141 1.463 1.00 0.00 C ATOM 374 C ARG A 24 -10.188 -2.333 0.263 1.00 0.00 C ATOM 375 O ARG A 24 -10.870 -3.347 0.162 1.00 0.00 O ATOM 376 CB ARG A 24 -9.885 -1.708 2.831 1.00 0.00 C ATOM 377 CG ARG A 24 -10.981 -2.647 3.389 1.00 0.00 C ATOM 378 CD ARG A 24 -10.532 -3.802 4.312 1.00 0.00 C ATOM 379 NE ARG A 24 -9.041 -4.053 4.295 1.00 0.00 N ATOM 380 CZ ARG A 24 -8.425 -4.919 3.432 1.00 0.00 C ATOM 381 NH1 ARG A 24 -9.144 -5.593 2.496 1.00 0.00 N ATOM 382 NH2 ARG A 24 -7.079 -5.080 3.468 1.00 0.00 N ATOM 0 H ARG A 24 -7.975 -0.504 1.593 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.019 -3.191 1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.085 -1.634 3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.308 -0.710 2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.698 -2.037 3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.514 -3.081 2.543 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.842 -3.580 5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.048 -4.715 4.014 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.461 -3.548 4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.153 -5.456 2.432 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.675 -6.236 1.858 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.520 -4.555 4.140 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.625 -5.727 2.823 1.00 0.00 H new ATOM 396 N ASN A 25 -10.151 -1.418 -0.746 1.00 0.00 N ATOM 397 CA ASN A 25 -10.845 -1.557 -2.032 1.00 0.00 C ATOM 398 C ASN A 25 -10.262 -2.606 -2.973 1.00 0.00 C ATOM 399 O ASN A 25 -10.964 -3.501 -3.440 1.00 0.00 O ATOM 400 CB ASN A 25 -10.768 -0.195 -2.775 1.00 0.00 C ATOM 401 CG ASN A 25 -12.073 0.546 -2.538 1.00 0.00 C ATOM 402 OD1 ASN A 25 -13.120 0.157 -3.057 1.00 0.00 O ATOM 403 ND2 ASN A 25 -12.015 1.645 -1.749 1.00 0.00 N ATOM 0 H ASN A 25 -9.623 -0.549 -0.673 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.858 -1.875 -1.786 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.925 0.391 -2.409 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.608 -0.352 -3.842 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.860 2.186 -1.565 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.126 1.932 -1.339 1.00 0.00 H new ATOM 410 N ASP A 26 -8.927 -2.535 -3.240 1.00 0.00 N ATOM 411 CA ASP A 26 -8.203 -3.447 -4.130 1.00 0.00 C ATOM 412 C ASP A 26 -7.935 -4.792 -3.500 1.00 0.00 C ATOM 413 O ASP A 26 -8.122 -5.804 -4.164 1.00 0.00 O ATOM 414 CB ASP A 26 -6.932 -2.786 -4.700 1.00 0.00 C ATOM 415 CG ASP A 26 -7.331 -1.674 -5.674 1.00 0.00 C ATOM 416 OD1 ASP A 26 -7.098 -0.480 -5.346 1.00 0.00 O ATOM 417 OD2 ASP A 26 -7.876 -2.008 -6.760 1.00 0.00 O ATOM 0 H ASP A 26 -8.325 -1.822 -2.827 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.859 -3.653 -4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.328 -2.376 -3.891 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.320 -3.529 -5.210 1.00 0.00 H new ATOM 422 N PHE A 27 -7.591 -4.848 -2.180 1.00 0.00 N ATOM 423 CA PHE A 27 -7.400 -6.072 -1.389 1.00 0.00 C ATOM 424 C PHE A 27 -8.703 -6.784 -1.119 1.00 0.00 C ATOM 425 O PHE A 27 -8.704 -7.995 -1.285 1.00 0.00 O ATOM 426 CB PHE A 27 -6.606 -5.868 -0.063 1.00 0.00 C ATOM 427 CG PHE A 27 -6.170 -7.087 0.737 1.00 0.00 C ATOM 428 CD1 PHE A 27 -7.049 -7.847 1.507 1.00 0.00 C ATOM 429 CD2 PHE A 27 -4.820 -7.334 0.864 1.00 0.00 C ATOM 430 CE1 PHE A 27 -6.589 -8.757 2.432 1.00 0.00 C ATOM 431 CE2 PHE A 27 -4.356 -8.201 1.826 1.00 0.00 C ATOM 432 CZ PHE A 27 -5.240 -8.913 2.599 1.00 0.00 C ATOM 0 H PHE A 27 -7.437 -4.003 -1.630 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.777 -6.705 -2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.710 -5.295 -0.302 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.216 -5.247 0.592 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.113 -7.719 1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.121 -6.843 0.203 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.284 -9.340 3.018 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.293 -8.322 1.974 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.868 -9.601 3.344 1.00 0.00 H new ATOM 442 N LEU A 28 -9.869 -6.127 -0.760 1.00 0.00 N ATOM 443 CA LEU A 28 -11.146 -6.870 -0.643 1.00 0.00 C ATOM 444 C LEU A 28 -11.622 -7.401 -1.992 1.00 0.00 C ATOM 445 O LEU A 28 -12.042 -8.544 -2.063 1.00 0.00 O ATOM 446 CB LEU A 28 -12.349 -6.163 0.020 1.00 0.00 C ATOM 447 CG LEU A 28 -12.335 -5.933 1.547 1.00 0.00 C ATOM 448 CD1 LEU A 28 -13.783 -5.572 1.888 1.00 0.00 C ATOM 449 CD2 LEU A 28 -11.868 -7.084 2.477 1.00 0.00 C ATOM 0 H LEU A 28 -9.932 -5.129 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.850 -7.660 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.463 -5.190 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.242 -6.741 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.577 -5.174 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.870 -5.390 2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.072 -4.674 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.439 -6.395 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.919 -6.756 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.515 -7.950 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.841 -7.355 2.232 1.00 0.00 H new ATOM 461 N GLU A 29 -11.463 -6.627 -3.109 1.00 0.00 N ATOM 462 CA GLU A 29 -11.765 -7.084 -4.478 1.00 0.00 C ATOM 463 C GLU A 29 -10.947 -8.273 -4.942 1.00 0.00 C ATOM 464 O GLU A 29 -11.495 -9.294 -5.340 1.00 0.00 O ATOM 465 CB GLU A 29 -11.574 -5.953 -5.524 1.00 0.00 C ATOM 466 CG GLU A 29 -12.919 -5.310 -5.845 1.00 0.00 C ATOM 467 CD GLU A 29 -12.737 -4.104 -6.760 1.00 0.00 C ATOM 468 OE1 GLU A 29 -13.238 -4.155 -7.916 1.00 0.00 O ATOM 469 OE2 GLU A 29 -12.096 -3.114 -6.318 1.00 0.00 O ATOM 0 H GLU A 29 -11.120 -5.667 -3.071 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.809 -7.390 -4.416 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.885 -5.202 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.128 -6.358 -6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.571 -6.040 -6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.409 -5.001 -4.922 1.00 0.00 H new ATOM 476 N LEU A 30 -9.600 -8.178 -4.812 1.00 0.00 N ATOM 477 CA LEU A 30 -8.592 -9.200 -5.075 1.00 0.00 C ATOM 478 C LEU A 30 -8.754 -10.446 -4.227 1.00 0.00 C ATOM 479 O LEU A 30 -8.764 -11.552 -4.741 1.00 0.00 O ATOM 480 CB LEU A 30 -7.224 -8.542 -4.900 1.00 0.00 C ATOM 481 CG LEU A 30 -5.988 -9.276 -5.445 1.00 0.00 C ATOM 482 CD1 LEU A 30 -5.092 -8.216 -6.091 1.00 0.00 C ATOM 483 CD2 LEU A 30 -5.204 -10.048 -4.365 1.00 0.00 C ATOM 0 H LEU A 30 -9.171 -7.309 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.709 -9.569 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.264 -7.561 -5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.069 -8.376 -3.834 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.315 -10.031 -6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.198 -8.692 -6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.635 -7.723 -6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.804 -7.478 -5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.346 -10.541 -4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.859 -9.353 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.853 -10.796 -3.910 1.00 0.00 H new ATOM 495 N LEU A 31 -9.050 -10.284 -2.913 1.00 0.00 N ATOM 496 CA LEU A 31 -9.439 -11.323 -1.956 1.00 0.00 C ATOM 497 C LEU A 31 -10.708 -12.077 -2.362 1.00 0.00 C ATOM 498 O LEU A 31 -10.691 -13.307 -2.447 1.00 0.00 O ATOM 499 CB LEU A 31 -9.618 -10.666 -0.567 1.00 0.00 C ATOM 500 CG LEU A 31 -9.991 -11.533 0.648 1.00 0.00 C ATOM 501 CD1 LEU A 31 -10.102 -10.625 1.892 1.00 0.00 C ATOM 502 CD2 LEU A 31 -8.977 -12.673 0.861 1.00 0.00 C ATOM 0 H LEU A 31 -9.018 -9.362 -2.477 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.647 -12.071 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.686 -10.154 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.386 -9.899 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.954 -12.011 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.366 -11.228 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.146 -10.133 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.872 -9.872 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.272 -13.265 1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.955 -13.310 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.986 -12.252 1.030 1.00 0.00 H new ATOM 514 N ARG A 32 -11.805 -11.341 -2.707 1.00 0.00 N ATOM 515 CA ARG A 32 -13.060 -11.856 -3.201 1.00 0.00 C ATOM 516 C ARG A 32 -13.023 -12.560 -4.572 1.00 0.00 C ATOM 517 O ARG A 32 -13.730 -13.550 -4.730 1.00 0.00 O ATOM 518 CB ARG A 32 -14.070 -10.692 -3.212 1.00 0.00 C ATOM 519 CG ARG A 32 -14.544 -10.213 -1.825 1.00 0.00 C ATOM 520 CD ARG A 32 -15.262 -8.857 -1.911 1.00 0.00 C ATOM 521 NE ARG A 32 -15.867 -8.435 -0.603 1.00 0.00 N ATOM 522 CZ ARG A 32 -16.372 -7.173 -0.419 1.00 0.00 C ATOM 523 NH1 ARG A 32 -16.372 -6.267 -1.440 1.00 0.00 N ATOM 524 NH2 ARG A 32 -16.868 -6.806 0.798 1.00 0.00 N ATOM 0 H ARG A 32 -11.809 -10.324 -2.634 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.351 -12.658 -2.523 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.620 -9.848 -3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.943 -10.996 -3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.216 -10.955 -1.393 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.688 -10.130 -1.156 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -14.554 -8.097 -2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.045 -8.913 -2.667 1.00 0.00 H new ATOM 0 HE ARG A 32 -15.903 -9.103 0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.994 -6.526 -2.351 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.750 -5.331 -1.292 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -16.863 -7.470 1.572 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -17.243 -5.867 0.934 1.00 0.00 H new ATOM 538 N ARG A 33 -12.240 -12.116 -5.623 1.00 0.00 N ATOM 539 CA ARG A 33 -12.045 -12.869 -6.856 1.00 0.00 C ATOM 540 C ARG A 33 -11.168 -14.039 -6.748 1.00 0.00 C ATOM 541 O ARG A 33 -11.410 -15.100 -7.306 1.00 0.00 O ATOM 542 CB ARG A 33 -11.526 -12.123 -8.117 1.00 0.00 C ATOM 543 CG ARG A 33 -10.546 -10.968 -7.891 1.00 0.00 C ATOM 544 CD ARG A 33 -9.980 -10.323 -9.163 1.00 0.00 C ATOM 545 NE ARG A 33 -8.918 -9.327 -8.766 1.00 0.00 N ATOM 546 CZ ARG A 33 -9.083 -7.966 -8.748 1.00 0.00 C ATOM 547 NH1 ARG A 33 -10.242 -7.384 -9.168 1.00 0.00 N ATOM 548 NH2 ARG A 33 -8.062 -7.182 -8.294 1.00 0.00 N ATOM 0 H ARG A 33 -11.742 -11.226 -5.607 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.094 -13.130 -6.998 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.044 -12.853 -8.767 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.388 -11.734 -8.658 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.049 -10.197 -7.307 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.714 -11.333 -7.289 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.558 -11.085 -9.818 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.774 -9.827 -9.721 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.007 -9.695 -8.490 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.011 -7.964 -9.505 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.341 -6.369 -9.145 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.193 -7.610 -7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.168 -6.168 -8.274 1.00 0.00 H new ATOM 562 N ARG A 34 -9.977 -13.747 -6.208 1.00 0.00 N ATOM 563 CA ARG A 34 -8.860 -14.620 -6.357 1.00 0.00 C ATOM 564 C ARG A 34 -8.801 -15.776 -5.359 1.00 0.00 C ATOM 565 O ARG A 34 -8.283 -16.851 -5.649 1.00 0.00 O ATOM 566 CB ARG A 34 -7.591 -13.751 -6.477 1.00 0.00 C ATOM 567 CG ARG A 34 -7.061 -13.658 -7.912 1.00 0.00 C ATOM 568 CD ARG A 34 -6.379 -14.933 -8.428 1.00 0.00 C ATOM 569 NE ARG A 34 -5.863 -14.688 -9.823 1.00 0.00 N ATOM 570 CZ ARG A 34 -4.635 -14.146 -10.103 1.00 0.00 C ATOM 571 NH1 ARG A 34 -3.766 -13.809 -9.105 1.00 0.00 N ATOM 572 NH2 ARG A 34 -4.276 -13.940 -11.404 1.00 0.00 N ATOM 0 H ARG A 34 -9.786 -12.904 -5.666 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.965 -15.190 -7.280 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.809 -12.748 -6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.813 -14.163 -5.834 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.890 -13.412 -8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.350 -12.833 -7.970 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.558 -15.214 -7.768 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.086 -15.763 -8.429 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.464 -14.941 -10.607 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.026 -13.959 -8.130 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.857 -13.407 -9.334 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.919 -14.189 -12.156 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.365 -13.537 -11.624 1.00 0.00 H new ATOM 586 N PHE A 35 -9.330 -15.553 -4.124 1.00 0.00 N ATOM 587 CA PHE A 35 -9.255 -16.500 -3.023 1.00 0.00 C ATOM 588 C PHE A 35 -10.641 -17.033 -2.629 1.00 0.00 C ATOM 589 O PHE A 35 -10.726 -18.102 -2.015 1.00 0.00 O ATOM 590 CB PHE A 35 -8.470 -15.909 -1.789 1.00 0.00 C ATOM 591 CG PHE A 35 -7.081 -15.409 -2.117 1.00 0.00 C ATOM 592 CD1 PHE A 35 -6.858 -14.251 -2.846 1.00 0.00 C ATOM 593 CD2 PHE A 35 -5.974 -16.072 -1.612 1.00 0.00 C ATOM 594 CE1 PHE A 35 -5.584 -13.815 -3.137 1.00 0.00 C ATOM 595 CE2 PHE A 35 -4.704 -15.617 -1.857 1.00 0.00 C ATOM 596 CZ PHE A 35 -4.498 -14.497 -2.630 1.00 0.00 C ATOM 0 H PHE A 35 -9.823 -14.693 -3.883 1.00 0.00 H new ATOM 0 HA PHE A 35 -8.680 -17.356 -3.378 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -9.048 -15.088 -1.365 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -8.395 -16.677 -1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.704 -13.677 -3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.114 -16.962 -1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.437 -12.944 -3.759 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.858 -16.142 -1.440 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.495 -14.155 -2.838 1.00 0.00 H new ATOM 606 N GLY A 36 -11.792 -16.321 -2.917 1.00 0.00 N ATOM 607 CA GLY A 36 -13.139 -16.753 -2.516 1.00 0.00 C ATOM 608 C GLY A 36 -13.420 -16.430 -1.093 1.00 0.00 C ATOM 609 O GLY A 36 -13.617 -15.286 -0.706 1.00 0.00 O ATOM 0 H GLY A 36 -11.785 -15.440 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.880 -16.269 -3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.238 -17.827 -2.671 1.00 0.00 H new ATOM 613 N THR A 37 -13.352 -17.472 -0.254 1.00 0.00 N ATOM 614 CA THR A 37 -13.300 -17.296 1.178 1.00 0.00 C ATOM 615 C THR A 37 -12.446 -18.503 1.519 1.00 0.00 C ATOM 616 O THR A 37 -12.921 -19.635 1.461 1.00 0.00 O ATOM 617 CB THR A 37 -14.684 -17.353 1.853 1.00 0.00 C ATOM 618 OG1 THR A 37 -15.507 -18.394 1.320 1.00 0.00 O ATOM 619 CG2 THR A 37 -15.448 -16.031 1.660 1.00 0.00 C ATOM 0 H THR A 37 -13.332 -18.445 -0.558 1.00 0.00 H new ATOM 0 HA THR A 37 -12.924 -16.329 1.511 1.00 0.00 H new ATOM 0 HB THR A 37 -14.488 -17.542 2.908 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.963 -19.194 1.165 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.421 -16.099 2.146 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.878 -15.214 2.102 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.587 -15.843 0.595 1.00 0.00 H new ATOM 627 N LYS A 38 -11.187 -18.275 1.917 1.00 0.00 N ATOM 628 CA LYS A 38 -10.211 -19.307 2.219 1.00 0.00 C ATOM 629 C LYS A 38 -9.331 -18.828 3.341 1.00 0.00 C ATOM 630 O LYS A 38 -8.958 -17.659 3.389 1.00 0.00 O ATOM 631 CB LYS A 38 -9.332 -19.643 0.999 1.00 0.00 C ATOM 632 CG LYS A 38 -8.658 -21.019 1.142 1.00 0.00 C ATOM 633 CD LYS A 38 -7.367 -21.102 0.336 1.00 0.00 C ATOM 634 CE LYS A 38 -7.534 -21.034 -1.188 1.00 0.00 C ATOM 635 NZ LYS A 38 -8.345 -22.167 -1.692 1.00 0.00 N ATOM 0 H LYS A 38 -10.817 -17.332 2.039 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.750 -20.211 2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.943 -19.629 0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.568 -18.875 0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.443 -21.211 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.345 -21.797 0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.711 -20.290 0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.862 -22.034 0.587 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.010 -20.093 -1.462 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.554 -21.046 -1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.355 -22.151 -2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.932 -23.063 -1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.318 -22.083 -1.335 1.00 0.00 H new ATOM 649 N ARG A 39 -8.909 -19.734 4.268 1.00 0.00 N ATOM 650 CA ARG A 39 -7.978 -19.449 5.357 1.00 0.00 C ATOM 651 C ARG A 39 -6.532 -19.230 4.795 1.00 0.00 C ATOM 652 O ARG A 39 -5.871 -20.131 4.287 1.00 0.00 O ATOM 653 CB ARG A 39 -8.023 -20.548 6.466 1.00 0.00 C ATOM 654 CG ARG A 39 -7.460 -21.959 6.168 1.00 0.00 C ATOM 655 CD ARG A 39 -8.249 -22.817 5.158 1.00 0.00 C ATOM 656 NE ARG A 39 -7.635 -24.192 5.097 1.00 0.00 N ATOM 657 CZ ARG A 39 -6.617 -24.538 4.245 1.00 0.00 C ATOM 658 NH1 ARG A 39 -6.103 -23.637 3.357 1.00 0.00 N ATOM 659 NH2 ARG A 39 -6.111 -25.805 4.286 1.00 0.00 N ATOM 0 H ARG A 39 -9.226 -20.704 4.263 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.291 -18.523 5.838 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.487 -20.159 7.332 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.065 -20.669 6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.441 -21.848 5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.400 -22.508 7.108 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.295 -22.885 5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.229 -22.352 4.172 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.998 -24.908 5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.476 -22.688 3.319 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.346 -23.913 2.731 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.490 -26.484 4.946 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.354 -26.072 3.657 1.00 0.00 H new ATOM 673 N VAL A 40 -6.038 -17.977 4.793 1.00 0.00 N ATOM 674 CA VAL A 40 -4.804 -17.574 4.123 1.00 0.00 C ATOM 675 C VAL A 40 -4.276 -16.416 4.900 1.00 0.00 C ATOM 676 O VAL A 40 -5.051 -15.723 5.539 1.00 0.00 O ATOM 677 CB VAL A 40 -5.070 -17.177 2.660 1.00 0.00 C ATOM 678 CG1 VAL A 40 -6.077 -16.010 2.503 1.00 0.00 C ATOM 679 CG2 VAL A 40 -3.793 -16.916 1.835 1.00 0.00 C ATOM 0 H VAL A 40 -6.503 -17.205 5.271 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.087 -18.394 4.091 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.539 -18.066 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.213 -15.787 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.034 -16.294 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.693 -15.127 3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.068 -16.642 0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.226 -16.103 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.182 -17.818 1.816 1.00 0.00 H new ATOM 689 N HIS A 41 -2.949 -16.128 4.878 1.00 0.00 N ATOM 690 CA HIS A 41 -2.356 -14.988 5.581 1.00 0.00 C ATOM 691 C HIS A 41 -2.636 -13.708 4.825 1.00 0.00 C ATOM 692 O HIS A 41 -2.483 -13.683 3.596 1.00 0.00 O ATOM 693 CB HIS A 41 -0.796 -15.114 5.675 1.00 0.00 C ATOM 694 CG HIS A 41 -0.142 -14.430 6.838 1.00 0.00 C ATOM 695 ND1 HIS A 41 0.458 -13.190 6.794 1.00 0.00 N ATOM 696 CD2 HIS A 41 0.059 -14.893 8.093 1.00 0.00 C ATOM 697 CE1 HIS A 41 0.956 -12.942 8.033 1.00 0.00 C ATOM 698 NE2 HIS A 41 0.727 -13.950 8.857 1.00 0.00 N ATOM 0 H HIS A 41 -2.268 -16.689 4.367 1.00 0.00 H new ATOM 0 HA HIS A 41 -2.795 -14.974 6.578 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -0.540 -16.173 5.713 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -0.365 -14.715 4.757 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -0.257 -15.862 8.450 1.00 0.00 H new ATOM 0 HE1 HIS A 41 1.474 -12.036 8.310 1.00 0.00 H new ATOM 0 HE2 HIS A 41 0.986 -14.019 9.841 1.00 0.00 H new ATOM 706 N ASN A 42 -2.961 -12.561 5.503 1.00 0.00 N ATOM 707 CA ASN A 42 -3.090 -11.259 4.815 1.00 0.00 C ATOM 708 C ASN A 42 -1.826 -10.808 4.093 1.00 0.00 C ATOM 709 O ASN A 42 -1.908 -10.167 3.066 1.00 0.00 O ATOM 710 CB ASN A 42 -3.471 -10.013 5.653 1.00 0.00 C ATOM 711 CG ASN A 42 -4.544 -10.304 6.670 1.00 0.00 C ATOM 712 OD1 ASN A 42 -4.298 -11.058 7.611 1.00 0.00 O ATOM 713 ND2 ASN A 42 -5.716 -9.640 6.532 1.00 0.00 N ATOM 0 H ASN A 42 -3.133 -12.524 6.508 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.917 -11.530 4.158 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.584 -9.638 6.164 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.813 -9.222 4.986 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.451 -9.752 7.230 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.864 -9.027 5.730 1.00 0.00 H new ATOM 720 N ASN A 43 -0.618 -11.212 4.596 1.00 0.00 N ATOM 721 CA ASN A 43 0.679 -10.918 3.952 1.00 0.00 C ATOM 722 C ASN A 43 0.897 -11.567 2.575 1.00 0.00 C ATOM 723 O ASN A 43 1.530 -10.953 1.729 1.00 0.00 O ATOM 724 CB ASN A 43 1.933 -10.990 4.884 1.00 0.00 C ATOM 725 CG ASN A 43 3.110 -10.081 4.456 1.00 0.00 C ATOM 726 OD1 ASN A 43 3.197 -8.870 5.078 1.00 0.00 O flip ATOM 727 ND2 ASN A 43 3.975 -10.468 3.666 1.00 0.00 N flip ATOM 0 H ASN A 43 -0.529 -11.749 5.459 1.00 0.00 H new ATOM 0 HA ASN A 43 0.574 -9.855 3.735 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.632 -10.720 5.896 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.283 -12.022 4.920 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.884 -11.379 3.216 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.782 -9.877 3.463 1.00 0.00 H new ATOM 734 N ILE A 44 0.281 -12.756 2.291 1.00 0.00 N ATOM 735 CA ILE A 44 0.225 -13.455 0.995 1.00 0.00 C ATOM 736 C ILE A 44 -0.774 -12.803 0.062 1.00 0.00 C ATOM 737 O ILE A 44 -0.539 -12.656 -1.131 1.00 0.00 O ATOM 738 CB ILE A 44 -0.061 -14.954 1.122 1.00 0.00 C ATOM 739 CG1 ILE A 44 0.928 -15.571 2.146 1.00 0.00 C ATOM 740 CG2 ILE A 44 0.039 -15.609 -0.284 1.00 0.00 C ATOM 741 CD1 ILE A 44 1.010 -17.092 2.051 1.00 0.00 C ATOM 0 H ILE A 44 -0.217 -13.273 3.016 1.00 0.00 H new ATOM 0 HA ILE A 44 1.223 -13.364 0.567 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.069 -15.135 1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.920 -15.148 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.621 -15.291 3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.163 -16.677 -0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.691 -15.151 -0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.041 -15.459 -0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.717 -17.465 2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.026 -17.522 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.345 -17.377 1.054 1.00 0.00 H new ATOM 753 N VAL A 45 -1.920 -12.319 0.616 1.00 0.00 N ATOM 754 CA VAL A 45 -2.917 -11.549 -0.152 1.00 0.00 C ATOM 755 C VAL A 45 -2.386 -10.128 -0.439 1.00 0.00 C ATOM 756 O VAL A 45 -2.562 -9.630 -1.545 1.00 0.00 O ATOM 757 CB VAL A 45 -4.313 -11.550 0.487 1.00 0.00 C ATOM 758 CG1 VAL A 45 -4.770 -12.993 0.804 1.00 0.00 C ATOM 759 CG2 VAL A 45 -5.357 -10.882 -0.442 1.00 0.00 C ATOM 0 H VAL A 45 -2.169 -12.454 1.596 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.057 -12.055 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.244 -10.978 1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.762 -12.970 1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.805 -13.574 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.066 -13.454 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.335 -10.898 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.065 -9.850 -0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.407 -11.427 -1.385 1.00 0.00 H new ATOM 769 N TYR A 46 -1.628 -9.508 0.543 1.00 0.00 N ATOM 770 CA TYR A 46 -0.924 -8.201 0.503 1.00 0.00 C ATOM 771 C TYR A 46 0.177 -8.239 -0.527 1.00 0.00 C ATOM 772 O TYR A 46 0.130 -7.448 -1.456 1.00 0.00 O ATOM 773 CB TYR A 46 -0.237 -7.815 1.892 1.00 0.00 C ATOM 774 CG TYR A 46 -0.141 -6.358 2.352 1.00 0.00 C ATOM 775 CD1 TYR A 46 -0.355 -5.185 1.618 1.00 0.00 C ATOM 776 CD2 TYR A 46 0.056 -6.204 3.729 1.00 0.00 C ATOM 777 CE1 TYR A 46 -0.646 -4.021 2.298 1.00 0.00 C ATOM 778 CE2 TYR A 46 -0.490 -5.127 4.380 1.00 0.00 C ATOM 779 CZ TYR A 46 -0.838 -4.026 3.654 1.00 0.00 C ATOM 780 OH TYR A 46 -1.434 -2.926 4.279 1.00 0.00 O ATOM 0 H TYR A 46 -1.496 -9.962 1.447 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.689 -7.462 0.265 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.768 -8.361 2.672 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.780 -8.207 1.864 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.293 -5.192 0.540 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.636 -6.931 4.278 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.724 -3.092 1.753 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.642 -5.150 5.449 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.406 -3.050 4.303 1.00 0.00 H new ATOM 790 N ASN A 47 1.099 -9.258 -0.463 1.00 0.00 N ATOM 791 CA ASN A 47 2.189 -9.533 -1.408 1.00 0.00 C ATOM 792 C ASN A 47 1.715 -9.854 -2.820 1.00 0.00 C ATOM 793 O ASN A 47 2.406 -9.578 -3.795 1.00 0.00 O ATOM 794 CB ASN A 47 3.248 -10.551 -0.854 1.00 0.00 C ATOM 795 CG ASN A 47 2.987 -12.061 -0.844 1.00 0.00 C ATOM 796 OD1 ASN A 47 2.564 -12.704 -1.802 1.00 0.00 O ATOM 797 ND2 ASN A 47 3.388 -12.675 0.297 1.00 0.00 N ATOM 0 H ASN A 47 1.082 -9.935 0.300 1.00 0.00 H new ATOM 0 HA ASN A 47 2.722 -8.587 -1.506 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.165 -10.393 -1.422 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.457 -10.260 0.175 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.342 -13.691 0.373 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.736 -12.121 1.079 1.00 0.00 H new ATOM 804 N GLU A 48 0.471 -10.406 -2.944 1.00 0.00 N ATOM 805 CA GLU A 48 -0.207 -10.674 -4.218 1.00 0.00 C ATOM 806 C GLU A 48 -0.766 -9.390 -4.838 1.00 0.00 C ATOM 807 O GLU A 48 -0.562 -9.113 -6.016 1.00 0.00 O ATOM 808 CB GLU A 48 -1.316 -11.758 -4.082 1.00 0.00 C ATOM 809 CG GLU A 48 -1.950 -12.139 -5.437 1.00 0.00 C ATOM 810 CD GLU A 48 -2.697 -13.471 -5.404 1.00 0.00 C ATOM 811 OE1 GLU A 48 -3.892 -13.487 -5.802 1.00 0.00 O ATOM 812 OE2 GLU A 48 -2.075 -14.493 -5.011 1.00 0.00 O ATOM 0 H GLU A 48 -0.087 -10.677 -2.134 1.00 0.00 H new ATOM 0 HA GLU A 48 0.549 -11.073 -4.894 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.891 -12.650 -3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.094 -11.393 -3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.640 -11.352 -5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.168 -12.188 -6.195 1.00 0.00 H new ATOM 819 N TYR A 49 -1.436 -8.555 -4.002 1.00 0.00 N ATOM 820 CA TYR A 49 -2.018 -7.235 -4.236 1.00 0.00 C ATOM 821 C TYR A 49 -0.998 -6.158 -4.651 1.00 0.00 C ATOM 822 O TYR A 49 -1.213 -5.420 -5.606 1.00 0.00 O ATOM 823 CB TYR A 49 -2.932 -6.919 -2.992 1.00 0.00 C ATOM 824 CG TYR A 49 -3.072 -5.487 -2.582 1.00 0.00 C ATOM 825 CD1 TYR A 49 -3.934 -4.611 -3.194 1.00 0.00 C ATOM 826 CD2 TYR A 49 -2.152 -5.006 -1.677 1.00 0.00 C ATOM 827 CE1 TYR A 49 -3.848 -3.279 -2.860 1.00 0.00 C ATOM 828 CE2 TYR A 49 -2.009 -3.667 -1.418 1.00 0.00 C ATOM 829 CZ TYR A 49 -2.902 -2.798 -1.994 1.00 0.00 C ATOM 830 OH TYR A 49 -2.888 -1.416 -1.747 1.00 0.00 O ATOM 0 H TYR A 49 -1.592 -8.839 -3.035 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.647 -7.230 -5.126 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.929 -7.308 -3.200 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.544 -7.476 -2.139 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.658 -4.957 -3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.521 -5.708 -1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.553 -2.587 -3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.216 -3.306 -0.779 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.384 -0.952 -2.454 1.00 0.00 H new ATOM 840 N ILE A 50 0.146 -6.034 -3.937 1.00 0.00 N ATOM 841 CA ILE A 50 1.138 -4.977 -4.174 1.00 0.00 C ATOM 842 C ILE A 50 2.137 -5.101 -5.300 1.00 0.00 C ATOM 843 O ILE A 50 2.855 -4.142 -5.568 1.00 0.00 O ATOM 844 CB ILE A 50 1.933 -4.567 -2.973 1.00 0.00 C ATOM 845 CG1 ILE A 50 2.669 -5.718 -2.270 1.00 0.00 C ATOM 846 CG2 ILE A 50 1.036 -3.819 -2.025 1.00 0.00 C ATOM 847 CD1 ILE A 50 3.263 -5.409 -0.899 1.00 0.00 C ATOM 0 H ILE A 50 0.400 -6.669 -3.181 1.00 0.00 H new ATOM 0 HA ILE A 50 0.407 -4.230 -4.482 1.00 0.00 H new ATOM 0 HB ILE A 50 2.734 -3.917 -3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.975 -6.551 -2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.474 -6.057 -2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.606 -3.516 -1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.638 -2.934 -2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.212 -4.464 -1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.755 -6.299 -0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.991 -4.603 -0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.468 -5.104 -0.218 1.00 0.00 H new ATOM 859 N SER A 51 2.180 -6.236 -6.022 1.00 0.00 N ATOM 860 CA SER A 51 3.004 -6.412 -7.229 1.00 0.00 C ATOM 861 C SER A 51 2.357 -5.759 -8.484 1.00 0.00 C ATOM 862 O SER A 51 2.849 -5.892 -9.602 1.00 0.00 O ATOM 863 CB SER A 51 3.379 -7.893 -7.535 1.00 0.00 C ATOM 864 OG SER A 51 4.378 -7.991 -8.561 1.00 0.00 O ATOM 0 H SER A 51 1.637 -7.065 -5.780 1.00 0.00 H new ATOM 0 HA SER A 51 3.934 -5.892 -6.997 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.744 -8.370 -6.626 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.487 -8.437 -7.844 1.00 0.00 H new ATOM 0 HG SER A 51 4.201 -7.322 -9.255 1.00 0.00 H new ATOM 870 N HIS A 52 1.237 -5.025 -8.252 1.00 0.00 N ATOM 871 CA HIS A 52 0.446 -4.165 -9.124 1.00 0.00 C ATOM 872 C HIS A 52 1.032 -2.726 -8.991 1.00 0.00 C ATOM 873 O HIS A 52 2.196 -2.540 -8.641 1.00 0.00 O ATOM 874 CB HIS A 52 -1.060 -4.221 -8.674 1.00 0.00 C ATOM 875 CG HIS A 52 -1.830 -5.528 -8.881 1.00 0.00 C ATOM 876 ND1 HIS A 52 -3.091 -5.554 -9.450 1.00 0.00 N ATOM 877 CD2 HIS A 52 -1.614 -6.807 -8.448 1.00 0.00 C ATOM 878 CE1 HIS A 52 -3.560 -6.824 -9.357 1.00 0.00 C ATOM 879 NE2 HIS A 52 -2.701 -7.621 -8.764 1.00 0.00 N ATOM 0 H HIS A 52 0.827 -5.036 -7.318 1.00 0.00 H new ATOM 0 HA HIS A 52 0.488 -4.484 -10.165 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.099 -3.976 -7.613 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.595 -3.432 -9.203 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.725 -7.140 -7.933 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.524 -7.141 -9.726 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.806 -8.618 -8.576 1.00 0.00 H new ATOM 887 N ARG A 53 0.260 -1.630 -9.235 1.00 0.00 N ATOM 888 CA ARG A 53 0.730 -0.236 -9.144 1.00 0.00 C ATOM 889 C ARG A 53 0.978 0.322 -7.728 1.00 0.00 C ATOM 890 O ARG A 53 1.928 1.039 -7.430 1.00 0.00 O ATOM 891 CB ARG A 53 -0.166 0.681 -10.026 1.00 0.00 C ATOM 892 CG ARG A 53 -1.398 1.340 -9.371 1.00 0.00 C ATOM 893 CD ARG A 53 -2.592 0.457 -8.945 1.00 0.00 C ATOM 894 NE ARG A 53 -3.095 -0.293 -10.150 1.00 0.00 N ATOM 895 CZ ARG A 53 -3.996 -1.322 -10.081 1.00 0.00 C ATOM 896 NH1 ARG A 53 -4.538 -1.707 -8.889 1.00 0.00 N ATOM 897 NH2 ARG A 53 -4.355 -1.977 -11.225 1.00 0.00 N ATOM 0 H ARG A 53 -0.721 -1.702 -9.504 1.00 0.00 H new ATOM 0 HA ARG A 53 1.744 -0.243 -9.544 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.463 1.475 -10.428 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.515 0.091 -10.874 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.052 1.873 -8.485 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.777 2.090 -10.066 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.286 -0.242 -8.166 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.387 1.074 -8.525 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.745 -0.019 -11.068 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.273 -1.226 -8.029 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.208 -2.476 -8.858 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.953 -1.698 -12.120 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.025 -2.745 -11.184 1.00 0.00 H new ATOM 911 N GLU A 54 0.022 -0.026 -6.864 1.00 0.00 N ATOM 912 CA GLU A 54 -0.344 0.277 -5.508 1.00 0.00 C ATOM 913 C GLU A 54 0.569 -0.046 -4.365 1.00 0.00 C ATOM 914 O GLU A 54 0.057 -0.069 -3.256 1.00 0.00 O ATOM 915 CB GLU A 54 -1.705 -0.412 -5.263 1.00 0.00 C ATOM 916 CG GLU A 54 -1.683 -1.948 -5.444 1.00 0.00 C ATOM 917 CD GLU A 54 -3.085 -2.438 -5.824 1.00 0.00 C ATOM 918 OE1 GLU A 54 -3.225 -3.634 -6.192 1.00 0.00 O ATOM 919 OE2 GLU A 54 -4.046 -1.626 -5.764 1.00 0.00 O ATOM 0 H GLU A 54 -0.668 -0.691 -7.213 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.323 1.366 -5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.038 -0.182 -4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.442 0.012 -5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.968 -2.223 -6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.355 -2.429 -4.522 1.00 0.00 H new ATOM 926 N HIS A 55 1.863 -0.400 -4.591 1.00 0.00 N ATOM 927 CA HIS A 55 2.897 -0.884 -3.660 1.00 0.00 C ATOM 928 C HIS A 55 3.050 -0.318 -2.226 1.00 0.00 C ATOM 929 O HIS A 55 4.093 0.182 -1.817 1.00 0.00 O ATOM 930 CB HIS A 55 4.268 -1.008 -4.381 1.00 0.00 C ATOM 931 CG HIS A 55 5.207 -2.046 -3.808 1.00 0.00 C ATOM 932 ND1 HIS A 55 4.997 -3.067 -2.930 1.00 0.00 N flip ATOM 933 CD2 HIS A 55 6.540 -2.125 -4.152 1.00 0.00 C flip ATOM 934 CE1 HIS A 55 6.174 -3.758 -2.705 1.00 0.00 C flip ATOM 935 NE2 HIS A 55 7.071 -3.161 -3.458 1.00 0.00 N flip ATOM 0 H HIS A 55 2.239 -0.344 -5.537 1.00 0.00 H new ATOM 0 HA HIS A 55 2.460 -1.846 -3.393 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.088 -1.244 -5.430 1.00 0.00 H new ATOM 0 HB3 HIS A 55 4.764 -0.038 -4.353 1.00 0.00 H new ATOM 0 HD2 HIS A 55 7.063 -1.482 -4.845 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.324 -4.605 -2.052 1.00 0.00 H new ATOM 0 HE2 HIS A 55 8.050 -3.444 -3.513 1.00 0.00 H new ATOM 943 N ILE A 56 1.949 -0.462 -1.451 1.00 0.00 N ATOM 944 CA ILE A 56 1.611 -0.135 -0.071 1.00 0.00 C ATOM 945 C ILE A 56 1.805 -1.375 0.755 1.00 0.00 C ATOM 946 O ILE A 56 1.024 -2.303 0.597 1.00 0.00 O ATOM 947 CB ILE A 56 0.128 0.187 -0.008 1.00 0.00 C ATOM 948 CG1 ILE A 56 -0.085 1.543 -0.692 1.00 0.00 C ATOM 949 CG2 ILE A 56 -0.583 0.205 1.383 1.00 0.00 C ATOM 950 CD1 ILE A 56 -1.554 1.594 -1.001 1.00 0.00 C ATOM 0 H ILE A 56 1.132 -0.896 -1.882 1.00 0.00 H new ATOM 0 HA ILE A 56 2.222 0.696 0.282 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.345 -0.659 -0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.210 2.365 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.513 1.626 -1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.636 0.452 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.496 -0.777 1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.113 0.953 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.790 2.537 -1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.816 0.765 -1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.124 1.516 -0.075 1.00 0.00 H new ATOM 962 N HIS A 57 2.781 -1.492 1.676 1.00 0.00 N ATOM 963 CA HIS A 57 2.891 -2.697 2.496 1.00 0.00 C ATOM 964 C HIS A 57 2.178 -2.486 3.817 1.00 0.00 C ATOM 965 O HIS A 57 1.622 -1.417 4.043 1.00 0.00 O ATOM 966 CB HIS A 57 4.371 -3.070 2.710 1.00 0.00 C ATOM 967 CG HIS A 57 4.543 -4.537 2.978 1.00 0.00 C ATOM 968 ND1 HIS A 57 4.140 -5.565 2.148 1.00 0.00 N ATOM 969 CD2 HIS A 57 5.012 -5.132 4.099 1.00 0.00 C ATOM 970 CE1 HIS A 57 4.373 -6.723 2.815 1.00 0.00 C ATOM 971 NE2 HIS A 57 4.895 -6.503 4.007 1.00 0.00 N ATOM 0 H HIS A 57 3.487 -0.780 1.863 1.00 0.00 H new ATOM 0 HA HIS A 57 2.413 -3.529 1.978 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.947 -2.792 1.828 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.773 -2.498 3.546 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.421 -4.606 4.949 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.158 -7.705 2.419 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.155 -7.197 4.708 1.00 0.00 H new ATOM 979 N MET A 58 2.196 -3.462 4.776 1.00 0.00 N ATOM 980 CA MET A 58 1.627 -3.389 6.156 1.00 0.00 C ATOM 981 C MET A 58 2.106 -2.193 6.975 1.00 0.00 C ATOM 982 O MET A 58 1.482 -1.673 7.890 1.00 0.00 O ATOM 983 CB MET A 58 1.972 -4.736 6.860 1.00 0.00 C ATOM 984 CG MET A 58 2.223 -4.817 8.390 1.00 0.00 C ATOM 985 SD MET A 58 0.941 -4.232 9.529 1.00 0.00 S ATOM 986 CE MET A 58 -0.480 -5.032 8.779 1.00 0.00 C ATOM 0 H MET A 58 2.631 -4.367 4.596 1.00 0.00 H new ATOM 0 HA MET A 58 0.550 -3.237 6.080 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.159 -5.426 6.637 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.865 -5.127 6.373 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.428 -5.859 8.634 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.132 -4.255 8.603 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.242 -5.206 9.538 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.887 -4.392 7.996 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.175 -5.985 8.346 1.00 0.00 H new ATOM 996 N ASN A 59 3.272 -1.700 6.543 1.00 0.00 N ATOM 997 CA ASN A 59 4.031 -0.593 7.035 1.00 0.00 C ATOM 998 C ASN A 59 3.557 0.761 6.447 1.00 0.00 C ATOM 999 O ASN A 59 3.945 1.817 6.927 1.00 0.00 O ATOM 1000 CB ASN A 59 5.494 -0.965 6.697 1.00 0.00 C ATOM 1001 CG ASN A 59 5.938 -2.212 7.483 1.00 0.00 C ATOM 1002 OD1 ASN A 59 5.404 -3.455 7.252 1.00 0.00 O flip ATOM 1003 ND2 ASN A 59 6.813 -2.061 8.340 1.00 0.00 N flip ATOM 0 H ASN A 59 3.742 -2.132 5.748 1.00 0.00 H new ATOM 0 HA ASN A 59 3.907 -0.432 8.106 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.588 -1.152 5.627 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.151 -0.128 6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.207 -1.136 8.509 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.142 -2.862 8.880 1.00 0.00 H new ATOM 1010 N ALA A 60 2.645 0.748 5.428 1.00 0.00 N ATOM 1011 CA ALA A 60 1.969 1.911 4.828 1.00 0.00 C ATOM 1012 C ALA A 60 0.536 2.092 5.389 1.00 0.00 C ATOM 1013 O ALA A 60 -0.396 2.439 4.664 1.00 0.00 O ATOM 1014 CB ALA A 60 1.892 1.771 3.278 1.00 0.00 C ATOM 0 H ALA A 60 2.356 -0.126 4.990 1.00 0.00 H new ATOM 0 HA ALA A 60 2.562 2.788 5.087 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.389 2.642 2.859 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.900 1.702 2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.334 0.871 3.021 1.00 0.00 H new ATOM 1020 N THR A 61 0.330 1.827 6.708 1.00 0.00 N ATOM 1021 CA THR A 61 -0.968 1.859 7.392 1.00 0.00 C ATOM 1022 C THR A 61 -0.707 1.927 8.913 1.00 0.00 C ATOM 1023 O THR A 61 0.418 1.686 9.352 1.00 0.00 O ATOM 1024 CB THR A 61 -1.954 0.808 6.849 1.00 0.00 C ATOM 1025 OG1 THR A 61 -3.146 0.696 7.620 1.00 0.00 O ATOM 1026 CG2 THR A 61 -1.307 -0.571 6.576 1.00 0.00 C ATOM 0 H THR A 61 1.096 1.578 7.334 1.00 0.00 H new ATOM 0 HA THR A 61 -1.534 2.763 7.165 1.00 0.00 H new ATOM 0 HB THR A 61 -2.254 1.197 5.876 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.538 -0.192 7.489 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.063 -1.259 6.196 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.513 -0.460 5.838 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.889 -0.967 7.502 1.00 0.00 H new ATOM 1034 N GLN A 62 -1.741 2.307 9.743 1.00 0.00 N ATOM 1035 CA GLN A 62 -1.716 2.585 11.198 1.00 0.00 C ATOM 1036 C GLN A 62 -1.639 1.394 12.146 1.00 0.00 C ATOM 1037 O GLN A 62 -1.621 1.531 13.373 1.00 0.00 O ATOM 1038 CB GLN A 62 -2.940 3.458 11.629 1.00 0.00 C ATOM 1039 CG GLN A 62 -4.266 2.694 11.930 1.00 0.00 C ATOM 1040 CD GLN A 62 -5.495 3.609 11.880 1.00 0.00 C ATOM 1041 OE1 GLN A 62 -5.445 4.758 11.441 1.00 0.00 O ATOM 1042 NE2 GLN A 62 -6.661 3.068 12.318 1.00 0.00 N ATOM 0 H GLN A 62 -2.680 2.432 9.366 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.765 3.107 11.305 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.661 4.022 12.519 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.136 4.184 10.840 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.388 1.887 11.208 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.200 2.233 12.915 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.677 2.114 12.677 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.521 3.616 12.287 1.00 0.00 H new ATOM 1051 N TRP A 63 -1.597 0.185 11.546 1.00 0.00 N ATOM 1052 CA TRP A 63 -1.494 -1.107 12.192 1.00 0.00 C ATOM 1053 C TRP A 63 -0.018 -1.469 12.165 1.00 0.00 C ATOM 1054 O TRP A 63 0.545 -1.581 11.089 1.00 0.00 O ATOM 1055 CB TRP A 63 -2.309 -2.190 11.411 1.00 0.00 C ATOM 1056 CG TRP A 63 -3.739 -1.803 11.037 1.00 0.00 C ATOM 1057 CD1 TRP A 63 -4.798 -1.528 11.857 1.00 0.00 C ATOM 1058 CD2 TRP A 63 -4.271 -1.813 9.692 1.00 0.00 C ATOM 1059 NE1 TRP A 63 -5.951 -1.380 11.112 1.00 0.00 N ATOM 1060 CE2 TRP A 63 -5.635 -1.593 9.785 1.00 0.00 C ATOM 1061 CE3 TRP A 63 -3.687 -2.016 8.471 1.00 0.00 C ATOM 1062 CZ2 TRP A 63 -6.419 -1.603 8.672 1.00 0.00 C ATOM 1063 CZ3 TRP A 63 -4.491 -1.989 7.337 1.00 0.00 C ATOM 1064 CH2 TRP A 63 -5.855 -1.778 7.425 1.00 0.00 C ATOM 0 H TRP A 63 -1.638 0.099 10.530 1.00 0.00 H new ATOM 0 HA TRP A 63 -1.893 -1.067 13.206 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -1.768 -2.436 10.497 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -2.344 -3.097 12.015 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -4.741 -1.439 12.932 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.875 -1.153 11.478 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.625 -2.193 8.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -7.487 -1.473 8.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -4.041 -2.136 6.366 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -6.467 -1.751 6.535 1.00 0.00 H new ATOM 1075 N GLU A 64 0.674 -1.650 13.315 1.00 0.00 N ATOM 1076 CA GLU A 64 2.109 -1.969 13.356 1.00 0.00 C ATOM 1077 C GLU A 64 2.424 -3.456 13.271 1.00 0.00 C ATOM 1078 O GLU A 64 3.574 -3.879 13.176 1.00 0.00 O ATOM 1079 CB GLU A 64 2.793 -1.358 14.599 1.00 0.00 C ATOM 1080 CG GLU A 64 2.095 -1.803 15.877 1.00 0.00 C ATOM 1081 CD GLU A 64 2.587 -1.019 17.086 1.00 0.00 C ATOM 1082 OE1 GLU A 64 2.371 0.223 17.117 1.00 0.00 O ATOM 1083 OE2 GLU A 64 3.183 -1.649 18.001 1.00 0.00 O ATOM 0 H GLU A 64 0.246 -1.577 14.238 1.00 0.00 H new ATOM 0 HA GLU A 64 2.517 -1.513 12.454 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.840 -1.659 14.628 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.776 -0.270 14.531 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.019 -1.670 15.770 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.270 -2.867 16.037 1.00 0.00 H new ATOM 1090 N THR A 65 1.368 -4.287 13.358 1.00 0.00 N ATOM 1091 CA THR A 65 1.411 -5.736 13.382 1.00 0.00 C ATOM 1092 C THR A 65 0.335 -6.186 12.413 1.00 0.00 C ATOM 1093 O THR A 65 -0.639 -5.465 12.211 1.00 0.00 O ATOM 1094 CB THR A 65 1.171 -6.307 14.794 1.00 0.00 C ATOM 1095 OG1 THR A 65 0.003 -5.773 15.415 1.00 0.00 O ATOM 1096 CG2 THR A 65 2.361 -5.944 15.702 1.00 0.00 C ATOM 0 H THR A 65 0.414 -3.931 13.416 1.00 0.00 H new ATOM 0 HA THR A 65 2.397 -6.102 13.095 1.00 0.00 H new ATOM 0 HB THR A 65 1.051 -7.384 14.674 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.104 -6.168 16.305 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.193 -6.347 16.701 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.276 -6.368 15.289 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.457 -4.860 15.760 1.00 0.00 H new ATOM 1104 N LEU A 66 0.438 -7.404 11.791 1.00 0.00 N ATOM 1105 CA LEU A 66 -0.519 -8.001 10.837 1.00 0.00 C ATOM 1106 C LEU A 66 -1.879 -8.312 11.497 1.00 0.00 C ATOM 1107 O LEU A 66 -2.960 -8.116 10.940 1.00 0.00 O ATOM 1108 CB LEU A 66 0.185 -9.232 10.200 1.00 0.00 C ATOM 1109 CG LEU A 66 -0.184 -9.673 8.759 1.00 0.00 C ATOM 1110 CD1 LEU A 66 0.120 -8.645 7.648 1.00 0.00 C ATOM 1111 CD2 LEU A 66 -1.616 -10.178 8.606 1.00 0.00 C ATOM 0 H LEU A 66 1.236 -8.016 11.960 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.781 -7.298 10.046 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.257 -9.037 10.215 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.006 -10.084 10.856 1.00 0.00 H new ATOM 0 HG LEU A 66 0.497 -10.511 8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.176 -9.055 6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.436 -7.727 7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.188 -8.426 7.637 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.792 -10.466 7.569 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.768 -11.042 9.253 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.312 -9.388 8.886 1.00 0.00 H new ATOM 1123 N THR A 67 -1.758 -8.666 12.802 1.00 0.00 N ATOM 1124 CA THR A 67 -2.683 -8.972 13.889 1.00 0.00 C ATOM 1125 C THR A 67 -3.660 -7.859 14.192 1.00 0.00 C ATOM 1126 O THR A 67 -4.852 -8.127 14.290 1.00 0.00 O ATOM 1127 CB THR A 67 -1.866 -9.198 15.171 1.00 0.00 C ATOM 1128 OG1 THR A 67 -0.898 -10.207 14.937 1.00 0.00 O ATOM 1129 CG2 THR A 67 -2.738 -9.613 16.371 1.00 0.00 C ATOM 0 H THR A 67 -0.810 -8.755 13.167 1.00 0.00 H new ATOM 0 HA THR A 67 -3.251 -9.846 13.572 1.00 0.00 H new ATOM 0 HB THR A 67 -1.394 -8.248 15.422 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.316 -11.089 15.026 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.106 -9.758 17.247 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.469 -8.831 16.577 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.257 -10.543 16.139 1.00 0.00 H new ATOM 1137 N ASP A 68 -3.222 -6.581 14.306 1.00 0.00 N ATOM 1138 CA ASP A 68 -4.054 -5.399 14.573 1.00 0.00 C ATOM 1139 C ASP A 68 -4.941 -4.946 13.414 1.00 0.00 C ATOM 1140 O ASP A 68 -6.020 -4.392 13.607 1.00 0.00 O ATOM 1141 CB ASP A 68 -3.183 -4.239 15.152 1.00 0.00 C ATOM 1142 CG ASP A 68 -3.996 -3.187 15.917 1.00 0.00 C ATOM 1143 OD1 ASP A 68 -3.934 -1.991 15.525 1.00 0.00 O ATOM 1144 OD2 ASP A 68 -4.683 -3.571 16.900 1.00 0.00 O ATOM 0 H ASP A 68 -2.235 -6.344 14.209 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.775 -5.711 15.329 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.429 -4.659 15.818 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.651 -3.752 14.335 1.00 0.00 H new ATOM 1149 N PHE A 69 -4.511 -5.255 12.166 1.00 0.00 N ATOM 1150 CA PHE A 69 -5.241 -5.120 10.899 1.00 0.00 C ATOM 1151 C PHE A 69 -6.376 -6.163 10.824 1.00 0.00 C ATOM 1152 O PHE A 69 -7.502 -5.878 10.411 1.00 0.00 O ATOM 1153 CB PHE A 69 -4.179 -5.222 9.765 1.00 0.00 C ATOM 1154 CG PHE A 69 -4.606 -5.539 8.354 1.00 0.00 C ATOM 1155 CD1 PHE A 69 -5.830 -5.183 7.810 1.00 0.00 C ATOM 1156 CD2 PHE A 69 -3.733 -6.281 7.587 1.00 0.00 C ATOM 1157 CE1 PHE A 69 -6.230 -5.699 6.599 1.00 0.00 C ATOM 1158 CE2 PHE A 69 -4.098 -6.724 6.342 1.00 0.00 C ATOM 1159 CZ PHE A 69 -5.368 -6.488 5.866 1.00 0.00 C ATOM 0 H PHE A 69 -3.575 -5.632 12.017 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.751 -4.162 10.800 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.645 -4.272 9.736 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.459 -5.984 10.064 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.474 -4.496 8.340 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.751 -6.516 7.971 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.219 -5.486 6.222 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.386 -7.260 5.732 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.687 -6.917 4.927 1.00 0.00 H new ATOM 1169 N THR A 70 -6.090 -7.388 11.331 1.00 0.00 N ATOM 1170 CA THR A 70 -7.030 -8.507 11.497 1.00 0.00 C ATOM 1171 C THR A 70 -8.037 -8.246 12.626 1.00 0.00 C ATOM 1172 O THR A 70 -9.212 -8.597 12.529 1.00 0.00 O ATOM 1173 CB THR A 70 -6.311 -9.841 11.641 1.00 0.00 C ATOM 1174 OG1 THR A 70 -5.048 -9.711 12.206 1.00 0.00 O ATOM 1175 CG2 THR A 70 -6.021 -10.426 10.267 1.00 0.00 C ATOM 0 H THR A 70 -5.150 -7.626 11.648 1.00 0.00 H new ATOM 0 HA THR A 70 -7.613 -8.577 10.579 1.00 0.00 H new ATOM 0 HB THR A 70 -6.967 -10.453 12.260 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.695 -10.598 12.426 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.506 -11.380 10.379 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.958 -10.580 9.732 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.390 -9.738 9.704 1.00 0.00 H new ATOM 1183 N LYS A 71 -7.590 -7.531 13.714 1.00 0.00 N ATOM 1184 CA LYS A 71 -8.464 -7.000 14.776 1.00 0.00 C ATOM 1185 C LYS A 71 -9.464 -5.924 14.295 1.00 0.00 C ATOM 1186 O LYS A 71 -10.578 -5.872 14.799 1.00 0.00 O ATOM 1187 CB LYS A 71 -7.739 -6.399 16.028 1.00 0.00 C ATOM 1188 CG LYS A 71 -6.762 -7.322 16.782 1.00 0.00 C ATOM 1189 CD LYS A 71 -7.299 -8.741 16.978 1.00 0.00 C ATOM 1190 CE LYS A 71 -6.362 -9.714 17.708 1.00 0.00 C ATOM 1191 NZ LYS A 71 -7.109 -10.900 18.193 1.00 0.00 N ATOM 0 H LYS A 71 -6.604 -7.316 13.862 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.982 -7.913 15.071 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.190 -5.513 15.708 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.501 -6.065 16.732 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.821 -7.370 16.233 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.541 -6.887 17.757 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.235 -8.682 17.533 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.535 -9.159 15.999 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.564 -10.031 17.036 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.888 -9.208 18.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.438 -11.612 18.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.750 -10.616 18.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.664 -11.304 17.412 1.00 0.00 H new ATOM 1205 N TRP A 72 -9.083 -5.068 13.301 1.00 0.00 N ATOM 1206 CA TRP A 72 -9.958 -4.064 12.673 1.00 0.00 C ATOM 1207 C TRP A 72 -10.881 -4.647 11.590 1.00 0.00 C ATOM 1208 O TRP A 72 -12.101 -4.523 11.666 1.00 0.00 O ATOM 1209 CB TRP A 72 -9.106 -2.878 12.093 1.00 0.00 C ATOM 1210 CG TRP A 72 -9.820 -1.760 11.302 1.00 0.00 C ATOM 1211 CD1 TRP A 72 -10.463 -0.636 11.742 1.00 0.00 C ATOM 1212 CD2 TRP A 72 -9.951 -1.754 9.864 1.00 0.00 C ATOM 1213 NE1 TRP A 72 -10.968 0.071 10.669 1.00 0.00 N ATOM 1214 CE2 TRP A 72 -10.653 -0.605 9.508 1.00 0.00 C ATOM 1215 CE3 TRP A 72 -9.515 -2.632 8.913 1.00 0.00 C ATOM 1216 CZ2 TRP A 72 -10.902 -0.304 8.194 1.00 0.00 C ATOM 1217 CZ3 TRP A 72 -9.763 -2.332 7.592 1.00 0.00 C ATOM 1218 CH2 TRP A 72 -10.442 -1.186 7.231 1.00 0.00 C ATOM 0 H TRP A 72 -8.139 -5.067 12.916 1.00 0.00 H new ATOM 0 HA TRP A 72 -10.612 -3.691 13.461 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -8.584 -2.409 12.927 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -8.345 -3.307 11.442 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -10.561 -0.344 12.777 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -11.487 0.947 10.725 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -8.991 -3.535 9.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -11.439 0.592 7.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -9.419 -3.007 6.823 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -10.616 -0.975 6.186 1.00 0.00 H new ATOM 1229 N LEU A 73 -10.315 -5.310 10.540 1.00 0.00 N ATOM 1230 CA LEU A 73 -11.000 -5.873 9.356 1.00 0.00 C ATOM 1231 C LEU A 73 -11.974 -7.005 9.601 1.00 0.00 C ATOM 1232 O LEU A 73 -13.035 -7.098 8.982 1.00 0.00 O ATOM 1233 CB LEU A 73 -10.071 -6.006 8.129 1.00 0.00 C ATOM 1234 CG LEU A 73 -10.028 -7.333 7.300 1.00 0.00 C ATOM 1235 CD1 LEU A 73 -10.006 -6.953 5.818 1.00 0.00 C ATOM 1236 CD2 LEU A 73 -8.809 -8.218 7.564 1.00 0.00 C ATOM 0 H LEU A 73 -9.308 -5.471 10.503 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.716 -5.102 9.070 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.335 -5.205 7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.055 -5.809 8.473 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.903 -7.911 7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.976 -7.858 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.903 -6.383 5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.124 -6.347 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.868 -9.113 6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.900 -7.668 7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.789 -8.505 8.615 1.00 0.00 H new ATOM 1248 N GLY A 74 -11.633 -7.852 10.611 1.00 0.00 N ATOM 1249 CA GLY A 74 -12.463 -8.864 11.267 1.00 0.00 C ATOM 1250 C GLY A 74 -13.749 -8.344 11.883 1.00 0.00 C ATOM 1251 O GLY A 74 -14.738 -9.056 12.001 1.00 0.00 O ATOM 0 H GLY A 74 -10.694 -7.831 11.008 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.714 -9.634 10.537 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.873 -9.344 12.048 1.00 0.00 H new ATOM 1255 N ARG A 75 -13.772 -7.046 12.301 1.00 0.00 N ATOM 1256 CA ARG A 75 -14.961 -6.416 12.886 1.00 0.00 C ATOM 1257 C ARG A 75 -15.980 -5.867 11.888 1.00 0.00 C ATOM 1258 O ARG A 75 -17.132 -5.608 12.233 1.00 0.00 O ATOM 1259 CB ARG A 75 -14.582 -5.288 13.857 1.00 0.00 C ATOM 1260 CG ARG A 75 -13.846 -5.763 15.094 1.00 0.00 C ATOM 1261 CD ARG A 75 -13.368 -4.556 15.910 1.00 0.00 C ATOM 1262 NE ARG A 75 -14.512 -3.942 16.675 1.00 0.00 N ATOM 1263 CZ ARG A 75 -14.955 -4.395 17.891 1.00 0.00 C ATOM 1264 NH1 ARG A 75 -14.362 -5.456 18.509 1.00 0.00 N ATOM 1265 NH2 ARG A 75 -16.011 -3.771 18.491 1.00 0.00 N ATOM 0 H ARG A 75 -12.967 -6.423 12.237 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.446 -7.241 13.407 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.959 -4.564 13.332 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.488 -4.766 14.164 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.502 -6.387 15.701 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.994 -6.380 14.807 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.586 -4.866 16.603 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.928 -3.813 15.245 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.987 -3.139 16.262 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.573 -5.928 18.067 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.707 -5.777 19.414 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.461 -2.977 18.035 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.350 -4.098 19.396 1.00 0.00 H new ATOM 1279 N GLU A 76 -15.562 -5.644 10.620 1.00 0.00 N ATOM 1280 CA GLU A 76 -16.367 -5.033 9.571 1.00 0.00 C ATOM 1281 C GLU A 76 -17.252 -6.009 8.810 1.00 0.00 C ATOM 1282 O GLU A 76 -18.087 -5.603 8.003 1.00 0.00 O ATOM 1283 CB GLU A 76 -15.424 -4.308 8.581 1.00 0.00 C ATOM 1284 CG GLU A 76 -14.597 -3.200 9.257 1.00 0.00 C ATOM 1285 CD GLU A 76 -13.762 -2.483 8.201 1.00 0.00 C ATOM 1286 OE1 GLU A 76 -13.999 -1.266 7.978 1.00 0.00 O ATOM 1287 OE2 GLU A 76 -12.875 -3.147 7.600 1.00 0.00 O ATOM 0 H GLU A 76 -14.626 -5.897 10.304 1.00 0.00 H new ATOM 0 HA GLU A 76 -17.048 -4.338 10.063 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.750 -5.035 8.128 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.014 -3.875 7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.257 -2.492 9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.949 -3.628 10.021 1.00 0.00 H new ATOM 1294 N GLY A 77 -17.056 -7.339 9.040 1.00 0.00 N ATOM 1295 CA GLY A 77 -17.813 -8.392 8.370 1.00 0.00 C ATOM 1296 C GLY A 77 -17.169 -8.835 7.086 1.00 0.00 C ATOM 1297 O GLY A 77 -17.830 -9.328 6.190 1.00 0.00 O ATOM 0 H GLY A 77 -16.363 -7.692 9.700 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.909 -9.247 9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -18.822 -8.034 8.163 1.00 0.00 H new ATOM 1301 N LEU A 78 -15.829 -8.658 6.967 1.00 0.00 N ATOM 1302 CA LEU A 78 -15.056 -9.027 5.769 1.00 0.00 C ATOM 1303 C LEU A 78 -14.069 -10.107 6.102 1.00 0.00 C ATOM 1304 O LEU A 78 -13.342 -10.642 5.285 1.00 0.00 O ATOM 1305 CB LEU A 78 -14.269 -7.853 5.131 1.00 0.00 C ATOM 1306 CG LEU A 78 -14.979 -6.505 5.332 1.00 0.00 C ATOM 1307 CD1 LEU A 78 -13.946 -5.369 5.448 1.00 0.00 C ATOM 1308 CD2 LEU A 78 -16.147 -6.378 4.327 1.00 0.00 C ATOM 0 H LEU A 78 -15.257 -8.252 7.708 1.00 0.00 H new ATOM 0 HA LEU A 78 -15.799 -9.361 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.272 -7.806 5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.141 -8.040 4.065 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.492 -6.427 6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.463 -4.420 5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.292 -5.557 6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.350 -5.325 4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.649 -5.421 4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.759 -6.434 3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.857 -7.189 4.490 1.00 0.00 H new ATOM 1320 N CYS A 79 -13.980 -10.455 7.366 1.00 0.00 N ATOM 1321 CA CYS A 79 -13.029 -11.464 7.805 1.00 0.00 C ATOM 1322 C CYS A 79 -13.406 -12.166 9.044 1.00 0.00 C ATOM 1323 O CYS A 79 -13.927 -11.606 10.003 1.00 0.00 O ATOM 1324 CB CYS A 79 -11.599 -10.852 7.939 1.00 0.00 C ATOM 1325 SG CYS A 79 -10.252 -11.365 9.031 1.00 0.00 S ATOM 0 H CYS A 79 -14.552 -10.057 8.111 1.00 0.00 H new ATOM 0 HA CYS A 79 -13.037 -12.225 7.024 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -11.179 -10.896 6.934 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -11.764 -9.800 8.170 1.00 0.00 H new ATOM 0 HG CYS A 79 -10.239 -12.662 9.125 1.00 0.00 H new ATOM 1331 N LYS A 80 -13.014 -13.451 9.050 1.00 0.00 N ATOM 1332 CA LYS A 80 -12.982 -14.292 10.199 1.00 0.00 C ATOM 1333 C LYS A 80 -11.494 -14.609 10.404 1.00 0.00 C ATOM 1334 O LYS A 80 -10.759 -14.713 9.427 1.00 0.00 O ATOM 1335 CB LYS A 80 -13.875 -15.515 9.884 1.00 0.00 C ATOM 1336 CG LYS A 80 -14.510 -16.128 11.127 1.00 0.00 C ATOM 1337 CD LYS A 80 -15.662 -15.325 11.754 1.00 0.00 C ATOM 1338 CE LYS A 80 -17.000 -15.547 11.032 1.00 0.00 C ATOM 1339 NZ LYS A 80 -18.078 -14.740 11.647 1.00 0.00 N ATOM 0 H LYS A 80 -12.702 -13.927 8.204 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.371 -13.864 11.123 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.662 -15.214 9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.277 -16.273 9.377 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.881 -17.120 10.871 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.734 -16.262 11.880 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.768 -15.607 12.802 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.414 -14.264 11.733 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.898 -15.281 9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.266 -16.603 11.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.970 -14.909 11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.189 -15.012 12.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.833 -13.731 11.589 1.00 0.00 H new ATOM 1353 N VAL A 81 -10.953 -14.703 11.644 1.00 0.00 N ATOM 1354 CA VAL A 81 -9.523 -14.796 11.862 1.00 0.00 C ATOM 1355 C VAL A 81 -9.155 -15.893 12.836 1.00 0.00 C ATOM 1356 O VAL A 81 -9.883 -16.193 13.782 1.00 0.00 O ATOM 1357 CB VAL A 81 -8.975 -13.455 12.380 1.00 0.00 C ATOM 1358 CG1 VAL A 81 -10.032 -12.560 13.075 1.00 0.00 C ATOM 1359 CG2 VAL A 81 -8.275 -12.696 11.252 1.00 0.00 C ATOM 0 H VAL A 81 -11.506 -14.715 12.501 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.074 -15.040 10.899 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.254 -13.706 13.158 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.562 -11.635 13.410 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.831 -12.327 12.371 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.447 -13.087 13.934 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.892 -11.749 11.633 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.448 -13.294 10.870 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.985 -12.503 10.448 1.00 0.00 H new ATOM 1369 N ASP A 82 -7.931 -16.460 12.625 1.00 0.00 N ATOM 1370 CA ASP A 82 -7.310 -17.462 13.507 1.00 0.00 C ATOM 1371 C ASP A 82 -5.783 -17.343 13.504 1.00 0.00 C ATOM 1372 O ASP A 82 -5.182 -16.881 12.536 1.00 0.00 O ATOM 1373 CB ASP A 82 -7.656 -18.941 13.126 1.00 0.00 C ATOM 1374 CG ASP A 82 -9.144 -19.245 13.322 1.00 0.00 C ATOM 1375 OD1 ASP A 82 -9.602 -19.224 14.495 1.00 0.00 O ATOM 1376 OD2 ASP A 82 -9.837 -19.507 12.302 1.00 0.00 O ATOM 0 H ASP A 82 -7.349 -16.222 11.822 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.723 -17.245 14.492 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.382 -19.122 12.087 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.062 -19.622 13.736 1.00 0.00 H new ATOM 1381 N GLU A 83 -5.084 -17.783 14.593 1.00 0.00 N ATOM 1382 CA GLU A 83 -3.624 -17.752 14.676 1.00 0.00 C ATOM 1383 C GLU A 83 -3.059 -19.171 14.801 1.00 0.00 C ATOM 1384 O GLU A 83 -3.593 -20.032 15.505 1.00 0.00 O ATOM 1385 CB GLU A 83 -3.103 -16.861 15.831 1.00 0.00 C ATOM 1386 CG GLU A 83 -1.574 -16.627 15.777 1.00 0.00 C ATOM 1387 CD GLU A 83 -1.102 -15.627 16.833 1.00 0.00 C ATOM 1388 OE1 GLU A 83 -1.931 -15.193 17.677 1.00 0.00 O ATOM 1389 OE2 GLU A 83 0.111 -15.288 16.806 1.00 0.00 O ATOM 0 H GLU A 83 -5.533 -18.165 15.426 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.271 -17.304 13.747 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.613 -15.898 15.797 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.360 -17.325 16.783 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.058 -17.576 15.922 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.299 -16.263 14.787 1.00 0.00 H new ATOM 1396 N THR A 84 -1.931 -19.396 14.077 1.00 0.00 N ATOM 1397 CA THR A 84 -1.137 -20.614 13.954 1.00 0.00 C ATOM 1398 C THR A 84 0.252 -20.377 14.469 1.00 0.00 C ATOM 1399 O THR A 84 0.612 -19.247 14.792 1.00 0.00 O ATOM 1400 CB THR A 84 -0.959 -21.046 12.465 1.00 0.00 C ATOM 1401 OG1 THR A 84 -0.169 -20.186 11.647 1.00 0.00 O ATOM 1402 CG2 THR A 84 -2.310 -21.127 11.752 1.00 0.00 C ATOM 0 H THR A 84 -1.529 -18.645 13.516 1.00 0.00 H new ATOM 0 HA THR A 84 -1.668 -21.381 14.518 1.00 0.00 H new ATOM 0 HB THR A 84 -0.446 -22.003 12.564 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.739 -19.763 10.971 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.157 -21.430 10.716 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.943 -21.858 12.254 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.794 -20.150 11.777 1.00 0.00 H new ATOM 1410 N PRO A 85 1.109 -21.418 14.503 1.00 0.00 N ATOM 1411 CA PRO A 85 2.523 -21.231 14.700 1.00 0.00 C ATOM 1412 C PRO A 85 3.339 -20.556 13.572 1.00 0.00 C ATOM 1413 O PRO A 85 4.541 -20.384 13.766 1.00 0.00 O ATOM 1414 CB PRO A 85 3.030 -22.645 15.020 1.00 0.00 C ATOM 1415 CG PRO A 85 1.803 -23.484 15.371 1.00 0.00 C ATOM 1416 CD PRO A 85 0.754 -22.844 14.484 1.00 0.00 C ATOM 0 HA PRO A 85 2.672 -20.494 15.489 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.557 -23.069 14.166 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.735 -22.624 15.851 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.947 -24.540 15.144 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.546 -23.417 16.428 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.781 -23.251 13.473 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.252 -23.012 14.868 1.00 0.00 H new ATOM 1424 N LYS A 86 2.743 -20.176 12.408 1.00 0.00 N ATOM 1425 CA LYS A 86 3.461 -19.556 11.306 1.00 0.00 C ATOM 1426 C LYS A 86 2.997 -18.119 11.022 1.00 0.00 C ATOM 1427 O LYS A 86 3.582 -17.411 10.202 1.00 0.00 O ATOM 1428 CB LYS A 86 3.308 -20.457 10.055 1.00 0.00 C ATOM 1429 CG LYS A 86 4.288 -20.151 8.910 1.00 0.00 C ATOM 1430 CD LYS A 86 4.295 -21.277 7.874 1.00 0.00 C ATOM 1431 CE LYS A 86 5.225 -20.992 6.686 1.00 0.00 C ATOM 1432 NZ LYS A 86 5.195 -22.106 5.711 1.00 0.00 N ATOM 0 H LYS A 86 1.747 -20.300 12.227 1.00 0.00 H new ATOM 0 HA LYS A 86 4.512 -19.471 11.581 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.438 -21.496 10.356 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.290 -20.359 9.678 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.009 -19.213 8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.292 -20.017 9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.604 -22.205 8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.281 -21.431 7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.922 -20.067 6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.244 -20.844 7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.831 -21.890 4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.506 -22.983 6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.226 -22.229 5.354 1.00 0.00 H new ATOM 1446 N GLY A 87 1.920 -17.630 11.699 1.00 0.00 N ATOM 1447 CA GLY A 87 1.398 -16.292 11.427 1.00 0.00 C ATOM 1448 C GLY A 87 -0.046 -16.081 11.781 1.00 0.00 C ATOM 1449 O GLY A 87 -0.683 -16.900 12.446 1.00 0.00 O ATOM 0 H GLY A 87 1.416 -18.144 12.421 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.999 -15.567 11.976 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.530 -16.077 10.367 1.00 0.00 H new ATOM 1453 N TRP A 88 -0.604 -14.959 11.244 1.00 0.00 N ATOM 1454 CA TRP A 88 -1.990 -14.505 11.333 1.00 0.00 C ATOM 1455 C TRP A 88 -2.719 -14.734 10.016 1.00 0.00 C ATOM 1456 O TRP A 88 -2.471 -14.105 8.987 1.00 0.00 O ATOM 1457 CB TRP A 88 -2.079 -13.003 11.713 1.00 0.00 C ATOM 1458 CG TRP A 88 -2.278 -12.858 13.198 1.00 0.00 C ATOM 1459 CD1 TRP A 88 -1.410 -13.038 14.226 1.00 0.00 C ATOM 1460 CD2 TRP A 88 -3.574 -12.717 13.778 1.00 0.00 C ATOM 1461 NE1 TRP A 88 -2.075 -12.926 15.433 1.00 0.00 N ATOM 1462 CE2 TRP A 88 -3.416 -12.761 15.158 1.00 0.00 C ATOM 1463 CE3 TRP A 88 -4.795 -12.577 13.198 1.00 0.00 C ATOM 1464 CZ2 TRP A 88 -4.493 -12.646 15.979 1.00 0.00 C ATOM 1465 CZ3 TRP A 88 -5.870 -12.424 14.043 1.00 0.00 C ATOM 1466 CH2 TRP A 88 -5.725 -12.446 15.409 1.00 0.00 C ATOM 0 H TRP A 88 -0.037 -14.310 10.698 1.00 0.00 H new ATOM 0 HA TRP A 88 -2.466 -15.090 12.120 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -1.168 -12.488 11.408 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -2.905 -12.533 11.180 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -0.355 -13.239 14.117 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -1.650 -12.959 16.360 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.916 -12.585 12.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -4.382 -12.710 17.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.854 -12.283 13.621 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.590 -12.304 16.041 1.00 0.00 H new ATOM 1477 N TYR A 89 -3.675 -15.687 10.065 1.00 0.00 N ATOM 1478 CA TYR A 89 -4.463 -16.205 8.965 1.00 0.00 C ATOM 1479 C TYR A 89 -5.859 -15.676 9.104 1.00 0.00 C ATOM 1480 O TYR A 89 -6.441 -15.597 10.185 1.00 0.00 O ATOM 1481 CB TYR A 89 -4.500 -17.763 8.998 1.00 0.00 C ATOM 1482 CG TYR A 89 -3.132 -18.262 8.641 1.00 0.00 C ATOM 1483 CD1 TYR A 89 -2.103 -18.244 9.561 1.00 0.00 C ATOM 1484 CD2 TYR A 89 -2.858 -18.636 7.344 1.00 0.00 C ATOM 1485 CE1 TYR A 89 -0.809 -18.492 9.164 1.00 0.00 C ATOM 1486 CE2 TYR A 89 -1.576 -18.939 6.943 1.00 0.00 C ATOM 1487 CZ TYR A 89 -0.546 -18.847 7.857 1.00 0.00 C ATOM 1488 OH TYR A 89 0.765 -19.134 7.444 1.00 0.00 O ATOM 0 H TYR A 89 -3.921 -16.136 10.947 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.018 -15.892 8.020 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.790 -18.117 9.987 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.241 -18.142 8.294 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.315 -18.034 10.599 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.664 -18.693 6.628 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.000 -18.409 9.875 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -1.379 -19.245 5.926 1.00 0.00 H new ATOM 0 HH TYR A 89 0.765 -19.366 6.492 1.00 0.00 H new ATOM 1498 N ILE A 90 -6.438 -15.316 7.962 1.00 0.00 N ATOM 1499 CA ILE A 90 -7.764 -14.808 7.791 1.00 0.00 C ATOM 1500 C ILE A 90 -8.432 -15.698 6.821 1.00 0.00 C ATOM 1501 O ILE A 90 -7.830 -16.269 5.918 1.00 0.00 O ATOM 1502 CB ILE A 90 -7.890 -13.353 7.325 1.00 0.00 C ATOM 1503 CG1 ILE A 90 -7.886 -12.996 5.805 1.00 0.00 C ATOM 1504 CG2 ILE A 90 -6.748 -12.597 7.978 1.00 0.00 C ATOM 1505 CD1 ILE A 90 -8.442 -11.598 5.496 1.00 0.00 C ATOM 0 H ILE A 90 -5.940 -15.383 7.074 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.225 -14.797 8.779 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.906 -13.084 7.615 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.865 -13.062 5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.474 -13.738 5.265 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.788 -11.549 7.680 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.836 -12.670 9.062 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.798 -13.028 7.662 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.407 -11.422 4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -9.474 -11.532 5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.840 -10.846 6.007 1.00 0.00 H new ATOM 1517 N GLN A 91 -9.747 -15.740 6.950 1.00 0.00 N ATOM 1518 CA GLN A 91 -10.621 -16.383 6.038 1.00 0.00 C ATOM 1519 C GLN A 91 -11.648 -15.316 5.942 1.00 0.00 C ATOM 1520 O GLN A 91 -12.215 -14.899 6.947 1.00 0.00 O ATOM 1521 CB GLN A 91 -11.146 -17.742 6.538 1.00 0.00 C ATOM 1522 CG GLN A 91 -12.396 -18.170 5.746 1.00 0.00 C ATOM 1523 CD GLN A 91 -12.731 -19.642 5.911 1.00 0.00 C ATOM 1524 OE1 GLN A 91 -12.598 -20.224 6.989 1.00 0.00 O ATOM 1525 NE2 GLN A 91 -13.219 -20.265 4.805 1.00 0.00 N ATOM 0 H GLN A 91 -10.235 -15.303 7.732 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.183 -16.688 5.088 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.368 -18.498 6.434 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.387 -17.676 7.599 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.247 -17.571 6.071 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.240 -17.955 4.689 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.315 -19.750 3.930 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.489 -21.247 4.851 1.00 0.00 H new ATOM 1534 N TYR A 92 -11.869 -14.803 4.719 1.00 0.00 N ATOM 1535 CA TYR A 92 -12.796 -13.738 4.410 1.00 0.00 C ATOM 1536 C TYR A 92 -14.253 -14.218 4.518 1.00 0.00 C ATOM 1537 O TYR A 92 -14.566 -15.394 4.349 1.00 0.00 O ATOM 1538 CB TYR A 92 -12.276 -12.785 3.272 1.00 0.00 C ATOM 1539 CG TYR A 92 -13.284 -12.214 2.297 1.00 0.00 C ATOM 1540 CD1 TYR A 92 -13.756 -10.927 2.443 1.00 0.00 C ATOM 1541 CD2 TYR A 92 -13.871 -13.015 1.351 1.00 0.00 C ATOM 1542 CE1 TYR A 92 -14.995 -10.588 1.972 1.00 0.00 C ATOM 1543 CE2 TYR A 92 -15.054 -12.649 0.738 1.00 0.00 C ATOM 1544 CZ TYR A 92 -15.623 -11.442 1.079 1.00 0.00 C ATOM 1545 OH TYR A 92 -16.862 -11.130 0.511 1.00 0.00 O ATOM 0 H TYR A 92 -11.377 -15.145 3.894 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.839 -12.965 5.177 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -11.763 -11.949 3.747 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -11.529 -13.332 2.696 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -13.145 -10.183 2.932 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -13.400 -13.949 1.080 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.474 -9.674 2.290 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -15.521 -13.294 0.009 1.00 0.00 H new ATOM 0 HH TYR A 92 -17.571 -11.610 0.988 1.00 0.00 H new ATOM 1555 N ILE A 93 -15.162 -13.313 4.916 1.00 0.00 N ATOM 1556 CA ILE A 93 -16.597 -13.536 5.097 1.00 0.00 C ATOM 1557 C ILE A 93 -17.285 -13.316 3.762 1.00 0.00 C ATOM 1558 O ILE A 93 -17.252 -12.201 3.261 1.00 0.00 O ATOM 1559 CB ILE A 93 -17.081 -12.538 6.155 1.00 0.00 C ATOM 1560 CG1 ILE A 93 -16.518 -13.020 7.510 1.00 0.00 C ATOM 1561 CG2 ILE A 93 -18.596 -12.236 6.113 1.00 0.00 C ATOM 1562 CD1 ILE A 93 -17.230 -12.651 8.806 1.00 0.00 C ATOM 0 H ILE A 93 -14.895 -12.352 5.131 1.00 0.00 H new ATOM 0 HA ILE A 93 -16.823 -14.549 5.431 1.00 0.00 H new ATOM 0 HB ILE A 93 -16.691 -11.541 5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -16.462 -14.108 7.469 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -15.495 -12.651 7.586 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -18.846 -11.521 6.897 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -18.856 -11.816 5.142 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -19.155 -13.158 6.271 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -16.690 -13.077 9.652 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -17.264 -11.566 8.906 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -18.246 -13.046 8.788 1.00 0.00 H new ATOM 1574 N ASP A 94 -17.923 -14.348 3.121 1.00 0.00 N ATOM 1575 CA ASP A 94 -18.526 -14.288 1.775 1.00 0.00 C ATOM 1576 C ASP A 94 -19.816 -13.528 1.640 1.00 0.00 C ATOM 1577 O ASP A 94 -20.812 -14.045 1.139 1.00 0.00 O ATOM 1578 CB ASP A 94 -18.680 -15.627 0.962 1.00 0.00 C ATOM 1579 CG ASP A 94 -19.297 -16.799 1.741 1.00 0.00 C ATOM 1580 OD1 ASP A 94 -18.748 -17.166 2.813 1.00 0.00 O ATOM 1581 OD2 ASP A 94 -20.307 -17.366 1.249 1.00 0.00 O ATOM 0 H ASP A 94 -18.027 -15.266 3.553 1.00 0.00 H new ATOM 0 HA ASP A 94 -17.715 -13.717 1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -19.296 -15.431 0.084 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -17.697 -15.929 0.601 1.00 0.00 H new ATOM 1586 N ARG A 95 -19.738 -12.224 1.994 1.00 0.00 N ATOM 1587 CA ARG A 95 -20.650 -11.090 1.885 1.00 0.00 C ATOM 1588 C ARG A 95 -22.049 -11.353 1.327 1.00 0.00 C ATOM 1589 O ARG A 95 -22.922 -11.860 2.027 1.00 0.00 O ATOM 1590 CB ARG A 95 -19.831 -9.952 1.274 1.00 0.00 C ATOM 1591 CG ARG A 95 -18.748 -9.423 2.261 1.00 0.00 C ATOM 1592 CD ARG A 95 -19.198 -8.347 3.279 1.00 0.00 C ATOM 1593 NE ARG A 95 -20.300 -8.818 4.188 1.00 0.00 N ATOM 1594 CZ ARG A 95 -20.815 -8.058 5.204 1.00 0.00 C ATOM 1595 NH1 ARG A 95 -20.354 -6.796 5.439 1.00 0.00 N ATOM 1596 NH2 ARG A 95 -21.794 -8.580 6.001 1.00 0.00 N ATOM 0 H ARG A 95 -18.877 -11.906 2.439 1.00 0.00 H new ATOM 0 HA ARG A 95 -21.002 -10.796 2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -19.350 -10.300 0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -20.496 -9.136 0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -18.351 -10.272 2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -17.925 -9.013 1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -18.342 -8.046 3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -19.534 -7.462 2.738 1.00 0.00 H new ATOM 0 HE ARG A 95 -20.683 -9.752 4.040 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -19.615 -6.406 4.854 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -20.748 -6.243 6.200 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -22.134 -9.527 5.836 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -22.185 -8.022 6.761 1.00 0.00 H new ATOM 1610 N ASP A 96 -22.260 -11.123 0.013 1.00 0.00 N ATOM 1611 CA ASP A 96 -23.362 -11.757 -0.723 1.00 0.00 C ATOM 1612 C ASP A 96 -22.665 -12.872 -1.512 1.00 0.00 C ATOM 1613 O ASP A 96 -21.924 -12.457 -2.396 1.00 0.00 O ATOM 1614 CB ASP A 96 -24.137 -10.791 -1.663 1.00 0.00 C ATOM 1615 CG ASP A 96 -25.543 -11.279 -2.061 1.00 0.00 C ATOM 1616 OD1 ASP A 96 -25.953 -12.395 -1.648 1.00 0.00 O ATOM 1617 OD2 ASP A 96 -26.224 -10.516 -2.798 1.00 0.00 O ATOM 0 H ASP A 96 -21.680 -10.504 -0.554 1.00 0.00 H new ATOM 0 HA ASP A 96 -24.137 -12.114 -0.045 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -24.228 -9.822 -1.172 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -23.550 -10.636 -2.568 1.00 0.00 H new ATOM 1622 N PRO A 97 -22.792 -14.215 -1.369 1.00 0.00 N ATOM 1623 CA PRO A 97 -21.961 -15.265 -2.010 1.00 0.00 C ATOM 1624 C PRO A 97 -21.880 -15.248 -3.529 1.00 0.00 C ATOM 1625 O PRO A 97 -20.867 -15.654 -4.091 1.00 0.00 O ATOM 1626 CB PRO A 97 -22.523 -16.589 -1.499 1.00 0.00 C ATOM 1627 CG PRO A 97 -23.131 -16.207 -0.149 1.00 0.00 C ATOM 1628 CD PRO A 97 -23.624 -14.767 -0.318 1.00 0.00 C ATOM 0 HA PRO A 97 -20.921 -15.088 -1.734 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -23.272 -16.998 -2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -21.744 -17.344 -1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -23.951 -16.875 0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -22.392 -16.278 0.649 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -24.679 -14.739 -0.592 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -23.520 -14.201 0.608 1.00 0.00 H new ATOM 1636 N GLU A 98 -22.899 -14.659 -4.211 1.00 0.00 N ATOM 1637 CA GLU A 98 -22.895 -14.360 -5.632 1.00 0.00 C ATOM 1638 C GLU A 98 -21.850 -13.329 -6.030 1.00 0.00 C ATOM 1639 O GLU A 98 -21.265 -13.415 -7.094 1.00 0.00 O ATOM 1640 CB GLU A 98 -24.293 -13.993 -6.160 1.00 0.00 C ATOM 1641 CG GLU A 98 -25.029 -12.831 -5.459 1.00 0.00 C ATOM 1642 CD GLU A 98 -24.629 -11.465 -6.018 1.00 0.00 C ATOM 1643 OE1 GLU A 98 -24.792 -11.257 -7.249 1.00 0.00 O ATOM 1644 OE2 GLU A 98 -24.162 -10.607 -5.221 1.00 0.00 O ATOM 0 H GLU A 98 -23.766 -14.378 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 98 -22.602 -15.289 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -24.200 -13.745 -7.217 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -24.923 -14.880 -6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -26.105 -12.966 -5.572 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -24.814 -12.860 -4.391 1.00 0.00 H new ATOM 1651 N THR A 99 -21.464 -12.372 -5.137 1.00 0.00 N ATOM 1652 CA THR A 99 -20.378 -11.409 -5.366 1.00 0.00 C ATOM 1653 C THR A 99 -19.032 -12.138 -5.477 1.00 0.00 C ATOM 1654 O THR A 99 -18.281 -11.909 -6.403 1.00 0.00 O ATOM 1655 CB THR A 99 -20.376 -10.300 -4.271 1.00 0.00 C ATOM 1656 OG1 THR A 99 -21.117 -9.157 -4.678 1.00 0.00 O ATOM 1657 CG2 THR A 99 -19.011 -9.830 -3.702 1.00 0.00 C ATOM 0 H THR A 99 -21.914 -12.258 -4.229 1.00 0.00 H new ATOM 0 HA THR A 99 -20.546 -10.903 -6.316 1.00 0.00 H new ATOM 0 HB THR A 99 -20.851 -10.826 -3.443 1.00 0.00 H new ATOM 0 HG1 THR A 99 -21.096 -8.483 -3.967 1.00 0.00 H new ATOM 0 HG21 THR A 99 -19.176 -9.057 -2.952 1.00 0.00 H new ATOM 0 HG22 THR A 99 -18.497 -10.675 -3.245 1.00 0.00 H new ATOM 0 HG23 THR A 99 -18.400 -9.427 -4.509 1.00 0.00 H new ATOM 1665 N ILE A 100 -18.782 -13.133 -4.588 1.00 0.00 N ATOM 1666 CA ILE A 100 -17.643 -14.020 -4.476 1.00 0.00 C ATOM 1667 C ILE A 100 -17.602 -15.067 -5.585 1.00 0.00 C ATOM 1668 O ILE A 100 -16.613 -15.148 -6.298 1.00 0.00 O ATOM 1669 CB ILE A 100 -17.802 -14.660 -3.096 1.00 0.00 C ATOM 1670 CG1 ILE A 100 -17.680 -13.567 -2.010 1.00 0.00 C ATOM 1671 CG2 ILE A 100 -16.663 -15.667 -2.834 1.00 0.00 C ATOM 1672 CD1 ILE A 100 -18.947 -12.845 -1.559 1.00 0.00 C ATOM 0 H ILE A 100 -19.465 -13.339 -3.859 1.00 0.00 H new ATOM 0 HA ILE A 100 -16.701 -13.483 -4.583 1.00 0.00 H new ATOM 0 HB ILE A 100 -18.771 -15.158 -3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -17.227 -14.023 -1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -16.981 -12.814 -2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -16.791 -16.113 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -16.688 -16.450 -3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.704 -15.151 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -18.694 -12.110 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -19.401 -12.341 -2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -19.651 -13.568 -1.148 1.00 0.00 H new ATOM 1684 N ARG A 101 -18.698 -15.827 -5.867 1.00 0.00 N ATOM 1685 CA ARG A 101 -18.777 -16.837 -6.935 1.00 0.00 C ATOM 1686 C ARG A 101 -18.825 -16.265 -8.357 1.00 0.00 C ATOM 1687 O ARG A 101 -18.340 -16.873 -9.311 1.00 0.00 O ATOM 1688 CB ARG A 101 -19.942 -17.817 -6.690 1.00 0.00 C ATOM 1689 CG ARG A 101 -19.833 -18.576 -5.348 1.00 0.00 C ATOM 1690 CD ARG A 101 -18.552 -19.405 -5.133 1.00 0.00 C ATOM 1691 NE ARG A 101 -18.381 -20.361 -6.283 1.00 0.00 N ATOM 1692 CZ ARG A 101 -17.396 -21.311 -6.326 1.00 0.00 C ATOM 1693 NH1 ARG A 101 -16.536 -21.475 -5.279 1.00 0.00 N ATOM 1694 NH2 ARG A 101 -17.274 -22.101 -7.432 1.00 0.00 N ATOM 0 H ARG A 101 -19.566 -15.744 -5.339 1.00 0.00 H new ATOM 0 HA ARG A 101 -17.834 -17.382 -6.880 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -20.882 -17.265 -6.712 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -19.977 -18.539 -7.506 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -19.911 -17.851 -4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -20.691 -19.243 -5.262 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -17.686 -18.746 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -18.614 -19.955 -4.194 1.00 0.00 H new ATOM 0 HE ARG A 101 -19.030 -20.298 -7.068 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -16.622 -20.886 -4.451 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -15.807 -22.187 -5.325 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -17.914 -21.981 -8.217 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -16.543 -22.811 -7.473 1.00 0.00 H new ATOM 1708 N ARG A 102 -19.350 -15.009 -8.527 1.00 0.00 N ATOM 1709 CA ARG A 102 -19.332 -14.263 -9.793 1.00 0.00 C ATOM 1710 C ARG A 102 -17.950 -13.657 -9.986 1.00 0.00 C ATOM 1711 O ARG A 102 -17.478 -13.612 -11.125 1.00 0.00 O ATOM 1712 CB ARG A 102 -20.356 -13.097 -9.909 1.00 0.00 C ATOM 1713 CG ARG A 102 -21.877 -13.417 -10.013 1.00 0.00 C ATOM 1714 CD ARG A 102 -22.444 -14.797 -9.593 1.00 0.00 C ATOM 1715 NE ARG A 102 -22.030 -15.889 -10.535 1.00 0.00 N ATOM 1716 CZ ARG A 102 -22.154 -17.223 -10.244 1.00 0.00 C ATOM 1717 NH1 ARG A 102 -22.750 -17.635 -9.087 1.00 0.00 N ATOM 1718 NH2 ARG A 102 -21.661 -18.150 -11.117 1.00 0.00 N ATOM 0 H ARG A 102 -19.799 -14.496 -7.768 1.00 0.00 H new ATOM 0 HA ARG A 102 -19.605 -14.998 -10.551 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -20.217 -12.453 -9.041 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -20.085 -12.511 -10.787 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -22.400 -12.666 -9.421 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -22.164 -13.260 -11.053 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -22.101 -15.038 -8.587 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -23.532 -14.745 -9.555 1.00 0.00 H new ATOM 0 HE ARG A 102 -21.636 -15.625 -11.438 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -23.110 -16.947 -8.426 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -22.835 -18.631 -8.884 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -21.205 -17.848 -11.978 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -21.749 -19.145 -10.908 1.00 0.00 H new ATOM 1732 N GLN A 103 -17.278 -13.234 -8.860 1.00 0.00 N ATOM 1733 CA GLN A 103 -15.910 -12.713 -8.849 1.00 0.00 C ATOM 1734 C GLN A 103 -14.834 -13.700 -9.285 1.00 0.00 C ATOM 1735 O GLN A 103 -13.853 -13.316 -9.915 1.00 0.00 O ATOM 1736 CB GLN A 103 -15.500 -12.001 -7.546 1.00 0.00 C ATOM 1737 CG GLN A 103 -15.960 -10.534 -7.548 1.00 0.00 C ATOM 1738 CD GLN A 103 -15.374 -9.806 -6.349 1.00 0.00 C ATOM 1739 OE1 GLN A 103 -16.002 -9.403 -5.371 1.00 0.00 O ATOM 1740 NE2 GLN A 103 -14.041 -9.570 -6.469 1.00 0.00 N ATOM 0 H GLN A 103 -17.701 -13.256 -7.932 1.00 0.00 H new ATOM 0 HA GLN A 103 -15.963 -11.951 -9.626 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -15.935 -12.520 -6.692 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.417 -12.046 -7.429 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -15.645 -10.046 -8.470 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -17.048 -10.485 -7.518 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -13.534 -9.911 -7.286 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -13.547 -9.052 -5.742 1.00 0.00 H new ATOM 1749 N LEU A 104 -15.005 -15.006 -8.970 1.00 0.00 N ATOM 1750 CA LEU A 104 -14.128 -16.086 -9.412 1.00 0.00 C ATOM 1751 C LEU A 104 -14.448 -16.566 -10.836 1.00 0.00 C ATOM 1752 O LEU A 104 -13.572 -16.708 -11.683 1.00 0.00 O ATOM 1753 CB LEU A 104 -14.054 -17.345 -8.481 1.00 0.00 C ATOM 1754 CG LEU A 104 -14.556 -17.268 -7.028 1.00 0.00 C ATOM 1755 CD1 LEU A 104 -14.393 -18.631 -6.328 1.00 0.00 C ATOM 1756 CD2 LEU A 104 -13.869 -16.195 -6.186 1.00 0.00 C ATOM 0 H LEU A 104 -15.777 -15.332 -8.388 1.00 0.00 H new ATOM 0 HA LEU A 104 -13.151 -15.604 -9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.611 -18.143 -8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -13.011 -17.659 -8.446 1.00 0.00 H new ATOM 0 HG LEU A 104 -15.608 -16.991 -7.102 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -14.753 -18.558 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.970 -19.386 -6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.341 -18.915 -6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.280 -16.206 -5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -12.798 -16.395 -6.145 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.038 -15.216 -6.635 1.00 0.00 H new ATOM 1768 N GLU A 105 -15.737 -16.937 -11.086 1.00 0.00 N ATOM 1769 CA GLU A 105 -16.219 -17.554 -12.325 1.00 0.00 C ATOM 1770 C GLU A 105 -16.578 -16.666 -13.525 1.00 0.00 C ATOM 1771 O GLU A 105 -16.058 -16.859 -14.619 1.00 0.00 O ATOM 1772 CB GLU A 105 -17.436 -18.478 -12.017 1.00 0.00 C ATOM 1773 CG GLU A 105 -17.181 -19.470 -10.862 1.00 0.00 C ATOM 1774 CD GLU A 105 -18.425 -20.333 -10.655 1.00 0.00 C ATOM 1775 OE1 GLU A 105 -19.071 -20.196 -9.582 1.00 0.00 O ATOM 1776 OE2 GLU A 105 -18.747 -21.139 -11.570 1.00 0.00 O ATOM 0 H GLU A 105 -16.480 -16.804 -10.400 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.328 -18.082 -12.665 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -18.298 -17.859 -11.770 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -17.693 -19.038 -12.916 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -16.321 -20.100 -11.091 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -16.944 -18.928 -9.947 1.00 0.00 H new