USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 THR OG1 : rot -83:sc= 1.21 USER MOD Set 1.2: A 103 GLN : amide:sc= -0.863 X(o=0.35,f=-0.068) USER MOD Set 2.1: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 67 THR OG1 : rot 180:sc= 0.18 USER MOD Set 3.1: A 57 HIS : no HD1:sc= -1.35 K(o=-3.8,f=-0.75) USER MOD Set 3.2: A 59 ASN : amide:sc= -2.47! K(o=-3.8!,f=-0.75) USER MOD Set 4.1: A 16 MET CE :methyl 175:sc= -2.86! (180deg=-3.03!) USER MOD Set 4.2: A 20 SER OG : rot 75:sc= 0.995 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 42:sc= 0.365 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -1.58! C(o=-1.6!,f=-8!) USER MOD Single : A 42 ASN : amide:sc= -2.99 K(o=-3,f=-7.1!) USER MOD Single : A 43 ASN : amide:sc= -0.0015 X(o=-0.0015,f=0) USER MOD Single : A 46 TYR OH : rot -82:sc= 0.849 USER MOD Single : A 47 ASN : amide:sc= 1.17 K(o=1.2,f=-0.35) USER MOD Single : A 49 TYR OH : rot 18:sc= 0.967 USER MOD Single : A 51 SER OG : rot 81:sc= 1.26 USER MOD Single : A 52 HIS : no HE2:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 55 HIS : no HD1:sc= -3.22! K(o=-3.2!,f=-1.6) USER MOD Single : A 58 MET CE :methyl -154:sc= -0.72 (180deg=-2.48!) USER MOD Single : A 61 THR OG1 : rot -78:sc= 1.24 USER MOD Single : A 62 GLN : amide:sc= -0.686 X(o=-0.69,f=-1.1) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.75 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot -69:sc= -1.53 USER MOD Single : A 80 LYS NZ :NH3+ -124:sc= -0.0088 (180deg=-1.61!) USER MOD Single : A 84 THR OG1 : rot -122:sc= 1.17 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= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 92 TYR OH : rot -159:sc= -1.07 USER MOD ----------------------------------------------------------------- ATOM 241 N MET A 16 -4.378 6.488 7.390 1.00 0.00 N ATOM 242 CA MET A 16 -5.268 5.326 7.414 1.00 0.00 C ATOM 243 C MET A 16 -6.332 5.325 6.367 1.00 0.00 C ATOM 244 O MET A 16 -6.348 4.363 5.628 1.00 0.00 O ATOM 245 CB MET A 16 -5.973 5.066 8.780 1.00 0.00 C ATOM 246 CG MET A 16 -6.684 3.681 8.958 1.00 0.00 C ATOM 247 SD MET A 16 -8.408 3.460 8.366 1.00 0.00 S ATOM 248 CE MET A 16 -8.655 1.652 8.551 1.00 0.00 C ATOM 0 HA MET A 16 -4.556 4.526 7.212 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.230 5.170 9.571 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.714 5.850 8.934 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.069 2.933 8.457 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.672 3.443 10.022 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.688 1.399 8.311 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.985 1.122 7.874 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.439 1.359 9.578 1.00 0.00 H new ATOM 258 N ASP A 17 -7.211 6.352 6.182 1.00 0.00 N ATOM 259 CA ASP A 17 -8.217 6.303 5.100 1.00 0.00 C ATOM 260 C ASP A 17 -7.647 6.490 3.696 1.00 0.00 C ATOM 261 O ASP A 17 -8.250 6.024 2.739 1.00 0.00 O ATOM 262 CB ASP A 17 -9.432 7.245 5.302 1.00 0.00 C ATOM 263 CG ASP A 17 -10.337 6.723 6.426 1.00 0.00 C ATOM 264 OD1 ASP A 17 -9.832 6.485 7.555 1.00 0.00 O ATOM 265 OD2 ASP A 17 -11.558 6.557 6.162 1.00 0.00 O ATOM 0 H ASP A 17 -7.238 7.196 6.754 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.580 5.278 5.177 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.084 8.249 5.544 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.000 7.319 4.375 1.00 0.00 H new ATOM 270 N TYR A 18 -6.442 7.116 3.534 1.00 0.00 N ATOM 271 CA TYR A 18 -5.694 7.178 2.275 1.00 0.00 C ATOM 272 C TYR A 18 -5.068 5.831 1.860 1.00 0.00 C ATOM 273 O TYR A 18 -5.331 5.323 0.768 1.00 0.00 O ATOM 274 CB TYR A 18 -4.613 8.313 2.374 1.00 0.00 C ATOM 275 CG TYR A 18 -3.896 8.614 1.063 1.00 0.00 C ATOM 276 CD1 TYR A 18 -2.719 7.954 0.741 1.00 0.00 C ATOM 277 CD2 TYR A 18 -4.401 9.527 0.151 1.00 0.00 C ATOM 278 CE1 TYR A 18 -2.075 8.177 -0.458 1.00 0.00 C ATOM 279 CE2 TYR A 18 -3.742 9.777 -1.042 1.00 0.00 C ATOM 280 CZ TYR A 18 -2.572 9.108 -1.345 1.00 0.00 C ATOM 281 OH TYR A 18 -1.888 9.379 -2.552 1.00 0.00 O ATOM 0 H TYR A 18 -5.969 7.595 4.300 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.404 7.413 1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.092 9.225 2.730 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.873 8.029 3.122 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.298 7.251 1.444 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.319 10.050 0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.181 7.622 -0.702 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.145 10.498 -1.738 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.377 10.060 -3.059 1.00 0.00 H new ATOM 291 N PHE A 19 -4.265 5.190 2.759 1.00 0.00 N ATOM 292 CA PHE A 19 -3.624 3.887 2.584 1.00 0.00 C ATOM 293 C PHE A 19 -4.577 2.698 2.705 1.00 0.00 C ATOM 294 O PHE A 19 -4.508 1.727 1.954 1.00 0.00 O ATOM 295 CB PHE A 19 -2.333 3.770 3.457 1.00 0.00 C ATOM 296 CG PHE A 19 -1.201 4.601 2.863 1.00 0.00 C ATOM 297 CD1 PHE A 19 -0.860 4.541 1.519 1.00 0.00 C ATOM 298 CD2 PHE A 19 -0.464 5.451 3.670 1.00 0.00 C ATOM 299 CE1 PHE A 19 0.129 5.350 0.994 1.00 0.00 C ATOM 300 CE2 PHE A 19 0.559 6.230 3.164 1.00 0.00 C ATOM 301 CZ PHE A 19 0.841 6.200 1.813 1.00 0.00 C ATOM 0 H PHE A 19 -4.048 5.604 3.665 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.301 3.835 1.544 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.543 4.107 4.472 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.027 2.726 3.524 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.378 3.849 0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.695 5.507 4.724 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.346 5.316 -0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.136 6.861 3.824 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.611 6.836 1.402 1.00 0.00 H new ATOM 311 N SER A 20 -5.556 2.788 3.640 1.00 0.00 N ATOM 312 CA SER A 20 -6.619 1.803 3.907 1.00 0.00 C ATOM 313 C SER A 20 -7.685 1.743 2.869 1.00 0.00 C ATOM 314 O SER A 20 -8.278 0.694 2.684 1.00 0.00 O ATOM 315 CB SER A 20 -7.169 1.640 5.324 1.00 0.00 C ATOM 316 OG SER A 20 -6.059 1.778 6.194 1.00 0.00 O ATOM 0 H SER A 20 -5.623 3.596 4.258 1.00 0.00 H new ATOM 0 HA SER A 20 -6.008 0.904 3.823 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.927 2.394 5.537 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.643 0.667 5.449 1.00 0.00 H new ATOM 0 HG SER A 20 -5.805 2.723 6.252 1.00 0.00 H new ATOM 322 N GLU A 21 -7.983 2.853 2.124 1.00 0.00 N ATOM 323 CA GLU A 21 -8.859 2.829 0.951 1.00 0.00 C ATOM 324 C GLU A 21 -8.191 2.069 -0.202 1.00 0.00 C ATOM 325 O GLU A 21 -8.766 1.123 -0.714 1.00 0.00 O ATOM 326 CB GLU A 21 -9.255 4.261 0.514 1.00 0.00 C ATOM 327 CG GLU A 21 -10.214 4.367 -0.689 1.00 0.00 C ATOM 328 CD GLU A 21 -10.583 5.836 -0.910 1.00 0.00 C ATOM 329 OE1 GLU A 21 -10.217 6.385 -1.985 1.00 0.00 O ATOM 330 OE2 GLU A 21 -11.234 6.428 -0.008 1.00 0.00 O ATOM 0 H GLU A 21 -7.613 3.779 2.336 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.775 2.305 1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.716 4.763 1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.344 4.810 0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.742 3.960 -1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.112 3.777 -0.506 1.00 0.00 H new ATOM 337 N GLU A 22 -6.903 2.381 -0.543 1.00 0.00 N ATOM 338 CA GLU A 22 -6.103 1.694 -1.566 1.00 0.00 C ATOM 339 C GLU A 22 -5.741 0.240 -1.237 1.00 0.00 C ATOM 340 O GLU A 22 -5.676 -0.626 -2.114 1.00 0.00 O ATOM 341 CB GLU A 22 -4.810 2.526 -1.819 1.00 0.00 C ATOM 342 CG GLU A 22 -3.947 2.148 -3.038 1.00 0.00 C ATOM 343 CD GLU A 22 -4.785 2.181 -4.312 1.00 0.00 C ATOM 344 OE1 GLU A 22 -4.925 1.106 -4.955 1.00 0.00 O ATOM 345 OE2 GLU A 22 -5.298 3.277 -4.658 1.00 0.00 O ATOM 0 H GLU A 22 -6.394 3.141 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.725 1.630 -2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.098 3.572 -1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.185 2.454 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.110 2.840 -3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.525 1.153 -2.898 1.00 0.00 H new ATOM 352 N PHE A 23 -5.509 -0.105 0.064 1.00 0.00 N ATOM 353 CA PHE A 23 -5.361 -1.472 0.548 1.00 0.00 C ATOM 354 C PHE A 23 -6.707 -2.189 0.583 1.00 0.00 C ATOM 355 O PHE A 23 -6.835 -3.231 -0.031 1.00 0.00 O ATOM 356 CB PHE A 23 -4.716 -1.490 1.973 1.00 0.00 C ATOM 357 CG PHE A 23 -4.459 -2.844 2.618 1.00 0.00 C ATOM 358 CD1 PHE A 23 -4.583 -2.963 3.993 1.00 0.00 C ATOM 359 CD2 PHE A 23 -4.060 -3.959 1.896 1.00 0.00 C ATOM 360 CE1 PHE A 23 -4.157 -4.090 4.654 1.00 0.00 C ATOM 361 CE2 PHE A 23 -3.749 -5.137 2.548 1.00 0.00 C ATOM 362 CZ PHE A 23 -3.769 -5.191 3.925 1.00 0.00 C ATOM 0 H PHE A 23 -5.421 0.590 0.805 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.703 -1.997 -0.145 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.765 -0.960 1.917 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.361 -0.918 2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.023 -2.154 4.557 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.992 -3.906 0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.127 -4.111 5.733 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.490 -6.017 1.978 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.480 -6.099 4.433 1.00 0.00 H new ATOM 372 N ARG A 24 -7.773 -1.653 1.235 1.00 0.00 N ATOM 373 CA ARG A 24 -9.068 -2.327 1.365 1.00 0.00 C ATOM 374 C ARG A 24 -9.940 -2.469 0.118 1.00 0.00 C ATOM 375 O ARG A 24 -10.557 -3.517 -0.069 1.00 0.00 O ATOM 376 CB ARG A 24 -9.830 -1.934 2.670 1.00 0.00 C ATOM 377 CG ARG A 24 -10.840 -3.020 3.133 1.00 0.00 C ATOM 378 CD ARG A 24 -10.408 -3.849 4.359 1.00 0.00 C ATOM 379 NE ARG A 24 -8.920 -4.122 4.328 1.00 0.00 N ATOM 380 CZ ARG A 24 -8.360 -5.109 3.561 1.00 0.00 C ATOM 381 NH1 ARG A 24 -9.152 -5.935 2.826 1.00 0.00 N ATOM 382 NH2 ARG A 24 -7.007 -5.258 3.518 1.00 0.00 N ATOM 0 H ARG A 24 -7.745 -0.737 1.683 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.773 -3.370 1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.107 -1.755 3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.362 -0.997 2.505 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.789 -2.535 3.360 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.021 -3.701 2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.665 -3.314 5.274 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.955 -4.792 4.377 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.307 -3.545 4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.165 -5.820 2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.733 -6.669 2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.408 -4.634 4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.593 -5.994 2.946 1.00 0.00 H new ATOM 396 N ASN A 25 -9.987 -1.476 -0.819 1.00 0.00 N ATOM 397 CA ASN A 25 -10.756 -1.557 -2.073 1.00 0.00 C ATOM 398 C ASN A 25 -10.263 -2.608 -3.058 1.00 0.00 C ATOM 399 O ASN A 25 -10.992 -3.489 -3.505 1.00 0.00 O ATOM 400 CB ASN A 25 -10.747 -0.175 -2.782 1.00 0.00 C ATOM 401 CG ASN A 25 -12.153 0.380 -2.695 1.00 0.00 C ATOM 402 OD1 ASN A 25 -12.989 0.169 -3.573 1.00 0.00 O ATOM 403 ND2 ASN A 25 -12.436 1.100 -1.576 1.00 0.00 N ATOM 0 H ASN A 25 -9.484 -0.595 -0.712 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.761 -1.857 -1.775 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.037 0.499 -2.303 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.437 -0.278 -3.822 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -13.370 1.488 -1.442 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.714 1.252 -0.871 1.00 0.00 H new ATOM 410 N ASP A 26 -8.945 -2.568 -3.347 1.00 0.00 N ATOM 411 CA ASP A 26 -8.236 -3.521 -4.186 1.00 0.00 C ATOM 412 C ASP A 26 -8.036 -4.858 -3.492 1.00 0.00 C ATOM 413 O ASP A 26 -8.254 -5.876 -4.136 1.00 0.00 O ATOM 414 CB ASP A 26 -6.938 -2.876 -4.707 1.00 0.00 C ATOM 415 CG ASP A 26 -7.218 -2.018 -5.943 1.00 0.00 C ATOM 416 OD1 ASP A 26 -7.128 -0.767 -5.834 1.00 0.00 O ATOM 417 OD2 ASP A 26 -7.525 -2.609 -7.013 1.00 0.00 O ATOM 0 H ASP A 26 -8.334 -1.838 -2.982 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.845 -3.764 -5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.492 -2.261 -3.925 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.214 -3.652 -4.954 1.00 0.00 H new ATOM 422 N PHE A 27 -7.722 -4.918 -2.155 1.00 0.00 N ATOM 423 CA PHE A 27 -7.601 -6.172 -1.385 1.00 0.00 C ATOM 424 C PHE A 27 -8.924 -6.894 -1.204 1.00 0.00 C ATOM 425 O PHE A 27 -8.944 -8.105 -1.375 1.00 0.00 O ATOM 426 CB PHE A 27 -6.861 -6.045 -0.022 1.00 0.00 C ATOM 427 CG PHE A 27 -6.373 -7.327 0.637 1.00 0.00 C ATOM 428 CD1 PHE A 27 -7.185 -8.124 1.441 1.00 0.00 C ATOM 429 CD2 PHE A 27 -5.028 -7.627 0.558 1.00 0.00 C ATOM 430 CE1 PHE A 27 -6.661 -9.185 2.150 1.00 0.00 C ATOM 431 CE2 PHE A 27 -4.505 -8.684 1.262 1.00 0.00 C ATOM 432 CZ PHE A 27 -5.335 -9.492 2.002 1.00 0.00 C ATOM 0 H PHE A 27 -7.548 -4.084 -1.594 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.960 -6.783 -2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.000 -5.393 -0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.528 -5.541 0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.241 -7.908 1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.381 -7.025 -0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.287 -9.765 2.812 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.443 -8.880 1.234 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.937 -10.379 2.472 1.00 0.00 H new ATOM 442 N LEU A 28 -10.099 -6.220 -0.939 1.00 0.00 N ATOM 443 CA LEU A 28 -11.395 -6.930 -0.925 1.00 0.00 C ATOM 444 C LEU A 28 -11.778 -7.475 -2.286 1.00 0.00 C ATOM 445 O LEU A 28 -12.199 -8.626 -2.334 1.00 0.00 O ATOM 446 CB LEU A 28 -12.598 -6.235 -0.231 1.00 0.00 C ATOM 447 CG LEU A 28 -12.648 -6.327 1.318 1.00 0.00 C ATOM 448 CD1 LEU A 28 -14.108 -6.455 1.771 1.00 0.00 C ATOM 449 CD2 LEU A 28 -11.883 -7.485 1.989 1.00 0.00 C ATOM 0 H LEU A 28 -10.157 -5.221 -0.741 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.176 -7.759 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.592 -5.182 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.517 -6.665 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.148 -5.411 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.147 -6.520 2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.670 -5.582 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.546 -7.354 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.006 -7.424 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.277 -8.437 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.824 -7.414 1.740 1.00 0.00 H new ATOM 461 N GLU A 29 -11.507 -6.759 -3.434 1.00 0.00 N ATOM 462 CA GLU A 29 -11.624 -7.357 -4.781 1.00 0.00 C ATOM 463 C GLU A 29 -10.707 -8.561 -5.001 1.00 0.00 C ATOM 464 O GLU A 29 -11.197 -9.602 -5.392 1.00 0.00 O ATOM 465 CB GLU A 29 -11.242 -6.426 -5.972 1.00 0.00 C ATOM 466 CG GLU A 29 -12.324 -5.477 -6.493 1.00 0.00 C ATOM 467 CD GLU A 29 -13.584 -6.215 -6.930 1.00 0.00 C ATOM 468 OE1 GLU A 29 -13.462 -7.127 -7.793 1.00 0.00 O ATOM 469 OE2 GLU A 29 -14.686 -5.869 -6.427 1.00 0.00 O ATOM 0 H GLU A 29 -11.212 -5.783 -3.435 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.686 -7.603 -4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.383 -5.826 -5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.916 -7.054 -6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.579 -4.759 -5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.929 -4.908 -7.335 1.00 0.00 H new ATOM 476 N LEU A 30 -9.378 -8.445 -4.720 1.00 0.00 N ATOM 477 CA LEU A 30 -8.310 -9.452 -4.842 1.00 0.00 C ATOM 478 C LEU A 30 -8.556 -10.736 -4.055 1.00 0.00 C ATOM 479 O LEU A 30 -8.405 -11.837 -4.582 1.00 0.00 O ATOM 480 CB LEU A 30 -6.990 -8.815 -4.323 1.00 0.00 C ATOM 481 CG LEU A 30 -5.646 -9.259 -4.936 1.00 0.00 C ATOM 482 CD1 LEU A 30 -5.468 -8.628 -6.310 1.00 0.00 C ATOM 483 CD2 LEU A 30 -5.357 -10.758 -4.972 1.00 0.00 C ATOM 0 H LEU A 30 -9.005 -7.562 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.268 -9.736 -5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.071 -7.736 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.937 -8.999 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.897 -8.889 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.517 -8.946 -6.736 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.282 -8.943 -6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.478 -7.542 -6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.382 -10.930 -5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.358 -11.153 -3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.125 -11.263 -5.558 1.00 0.00 H new ATOM 495 N LEU A 31 -9.044 -10.564 -2.788 1.00 0.00 N ATOM 496 CA LEU A 31 -9.482 -11.533 -1.795 1.00 0.00 C ATOM 497 C LEU A 31 -10.698 -12.283 -2.286 1.00 0.00 C ATOM 498 O LEU A 31 -10.668 -13.503 -2.379 1.00 0.00 O ATOM 499 CB LEU A 31 -9.767 -10.788 -0.451 1.00 0.00 C ATOM 500 CG LEU A 31 -9.956 -11.620 0.837 1.00 0.00 C ATOM 501 CD1 LEU A 31 -10.193 -10.695 2.067 1.00 0.00 C ATOM 502 CD2 LEU A 31 -8.740 -12.544 1.040 1.00 0.00 C ATOM 0 H LEU A 31 -9.141 -9.618 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.698 -12.271 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.944 -10.094 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.666 -10.188 -0.591 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.844 -12.243 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.323 -11.305 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.334 -10.037 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.088 -10.095 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.876 -13.130 1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.647 -13.215 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.836 -11.942 1.128 1.00 0.00 H new ATOM 514 N ARG A 32 -11.761 -11.543 -2.709 1.00 0.00 N ATOM 515 CA ARG A 32 -12.984 -12.061 -3.318 1.00 0.00 C ATOM 516 C ARG A 32 -12.833 -12.774 -4.670 1.00 0.00 C ATOM 517 O ARG A 32 -13.409 -13.840 -4.821 1.00 0.00 O ATOM 518 CB ARG A 32 -14.016 -10.928 -3.496 1.00 0.00 C ATOM 519 CG ARG A 32 -14.681 -10.469 -2.196 1.00 0.00 C ATOM 520 CD ARG A 32 -15.697 -9.331 -2.418 1.00 0.00 C ATOM 521 NE ARG A 32 -15.028 -8.054 -2.829 1.00 0.00 N ATOM 522 CZ ARG A 32 -15.697 -6.866 -2.971 1.00 0.00 C ATOM 523 NH1 ARG A 32 -17.051 -6.804 -2.821 1.00 0.00 N ATOM 524 NH2 ARG A 32 -14.994 -5.734 -3.265 1.00 0.00 N ATOM 0 H ARG A 32 -11.773 -10.527 -2.624 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.309 -12.824 -2.611 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.523 -10.073 -3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.790 -11.263 -4.187 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.186 -11.316 -1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.913 -10.134 -1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.413 -9.628 -3.184 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.262 -9.165 -1.501 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.025 -8.070 -3.012 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.579 -7.648 -2.600 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.536 -5.913 -2.929 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.981 -5.777 -3.377 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.481 -4.845 -3.373 1.00 0.00 H new ATOM 538 N ARG A 33 -12.082 -12.254 -5.692 1.00 0.00 N ATOM 539 CA ARG A 33 -11.773 -12.953 -6.931 1.00 0.00 C ATOM 540 C ARG A 33 -10.800 -14.076 -6.857 1.00 0.00 C ATOM 541 O ARG A 33 -11.052 -15.148 -7.396 1.00 0.00 O ATOM 542 CB ARG A 33 -11.251 -12.125 -8.145 1.00 0.00 C ATOM 543 CG ARG A 33 -10.368 -10.887 -7.919 1.00 0.00 C ATOM 544 CD ARG A 33 -9.586 -10.422 -9.156 1.00 0.00 C ATOM 545 NE ARG A 33 -8.619 -9.341 -8.738 1.00 0.00 N ATOM 546 CZ ARG A 33 -8.868 -7.998 -8.842 1.00 0.00 C ATOM 547 NH1 ARG A 33 -10.016 -7.533 -9.415 1.00 0.00 N ATOM 548 NH2 ARG A 33 -7.953 -7.107 -8.354 1.00 0.00 N ATOM 0 H ARG A 33 -11.679 -11.318 -5.652 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.797 -13.291 -7.092 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.691 -12.808 -8.784 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.123 -11.800 -8.712 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.998 -10.067 -7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.660 -11.104 -7.119 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.048 -11.260 -9.600 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.270 -10.044 -9.916 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.720 -9.630 -8.352 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.708 -8.190 -9.776 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.182 -6.529 -9.482 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.095 -7.444 -7.918 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.128 -6.105 -8.426 1.00 0.00 H new ATOM 562 N ARG A 34 -9.587 -13.829 -6.307 1.00 0.00 N ATOM 563 CA ARG A 34 -8.525 -14.794 -6.466 1.00 0.00 C ATOM 564 C ARG A 34 -8.576 -15.946 -5.449 1.00 0.00 C ATOM 565 O ARG A 34 -8.032 -17.027 -5.668 1.00 0.00 O ATOM 566 CB ARG A 34 -7.126 -14.119 -6.469 1.00 0.00 C ATOM 567 CG ARG A 34 -6.885 -13.121 -7.625 1.00 0.00 C ATOM 568 CD ARG A 34 -6.972 -13.711 -9.043 1.00 0.00 C ATOM 569 NE ARG A 34 -5.947 -14.806 -9.170 1.00 0.00 N ATOM 570 CZ ARG A 34 -5.901 -15.684 -10.220 1.00 0.00 C ATOM 571 NH1 ARG A 34 -6.807 -15.609 -11.236 1.00 0.00 N ATOM 572 NH2 ARG A 34 -4.936 -16.648 -10.245 1.00 0.00 N ATOM 0 H ARG A 34 -9.345 -12.995 -5.772 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.693 -15.244 -7.445 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.990 -13.596 -5.523 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.364 -14.897 -6.516 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.613 -12.314 -7.542 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.899 -12.675 -7.496 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.971 -14.105 -9.229 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.792 -12.935 -9.787 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.248 -14.899 -8.433 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.532 -14.892 -11.221 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.760 -16.270 -12.011 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.257 -16.710 -9.486 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.893 -17.307 -11.023 1.00 0.00 H new ATOM 586 N PHE A 35 -9.224 -15.686 -4.282 1.00 0.00 N ATOM 587 CA PHE A 35 -9.304 -16.607 -3.156 1.00 0.00 C ATOM 588 C PHE A 35 -10.764 -16.969 -2.816 1.00 0.00 C ATOM 589 O PHE A 35 -11.022 -18.081 -2.342 1.00 0.00 O ATOM 590 CB PHE A 35 -8.513 -16.086 -1.886 1.00 0.00 C ATOM 591 CG PHE A 35 -7.083 -15.666 -2.153 1.00 0.00 C ATOM 592 CD1 PHE A 35 -6.030 -16.380 -1.605 1.00 0.00 C ATOM 593 CD2 PHE A 35 -6.770 -14.511 -2.852 1.00 0.00 C ATOM 594 CE1 PHE A 35 -4.729 -15.998 -1.813 1.00 0.00 C ATOM 595 CE2 PHE A 35 -5.465 -14.159 -3.119 1.00 0.00 C ATOM 596 CZ PHE A 35 -4.432 -14.906 -2.596 1.00 0.00 C ATOM 0 H PHE A 35 -9.710 -14.806 -4.112 1.00 0.00 H new ATOM 0 HA PHE A 35 -8.808 -17.525 -3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -9.052 -15.238 -1.463 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -8.510 -16.872 -1.130 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.237 -17.253 -1.003 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.569 -13.871 -3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.928 -16.561 -1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.252 -13.299 -3.737 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.405 -14.639 -2.797 1.00 0.00 H new ATOM 606 N GLY A 36 -11.774 -16.034 -2.948 1.00 0.00 N ATOM 607 CA GLY A 36 -13.134 -16.181 -2.435 1.00 0.00 C ATOM 608 C GLY A 36 -13.180 -15.976 -0.964 1.00 0.00 C ATOM 609 O GLY A 36 -12.849 -14.915 -0.449 1.00 0.00 O ATOM 0 H GLY A 36 -11.630 -15.147 -3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.790 -15.462 -2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.512 -17.174 -2.678 1.00 0.00 H new ATOM 613 N THR A 37 -13.545 -17.054 -0.239 1.00 0.00 N ATOM 614 CA THR A 37 -13.502 -17.104 1.196 1.00 0.00 C ATOM 615 C THR A 37 -12.622 -18.330 1.460 1.00 0.00 C ATOM 616 O THR A 37 -13.060 -19.473 1.333 1.00 0.00 O ATOM 617 CB THR A 37 -14.932 -17.300 1.746 1.00 0.00 C ATOM 618 OG1 THR A 37 -15.641 -18.319 1.045 1.00 0.00 O ATOM 619 CG2 THR A 37 -15.808 -16.046 1.587 1.00 0.00 C ATOM 0 H THR A 37 -13.881 -17.918 -0.664 1.00 0.00 H new ATOM 0 HA THR A 37 -13.117 -16.202 1.672 1.00 0.00 H new ATOM 0 HB THR A 37 -14.776 -17.551 2.795 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.044 -19.079 0.880 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.801 -16.242 1.991 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.355 -15.215 2.127 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.890 -15.791 0.530 1.00 0.00 H new ATOM 627 N LYS A 38 -11.387 -18.095 1.920 1.00 0.00 N ATOM 628 CA LYS A 38 -10.411 -19.126 2.236 1.00 0.00 C ATOM 629 C LYS A 38 -9.557 -18.655 3.386 1.00 0.00 C ATOM 630 O LYS A 38 -9.157 -17.499 3.436 1.00 0.00 O ATOM 631 CB LYS A 38 -9.501 -19.478 1.037 1.00 0.00 C ATOM 632 CG LYS A 38 -8.802 -20.842 1.206 1.00 0.00 C ATOM 633 CD LYS A 38 -7.405 -20.846 0.591 1.00 0.00 C ATOM 634 CE LYS A 38 -7.378 -20.633 -0.928 1.00 0.00 C ATOM 635 NZ LYS A 38 -5.984 -20.610 -1.432 1.00 0.00 N ATOM 0 H LYS A 38 -11.036 -17.152 2.085 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.962 -20.029 2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.097 -19.489 0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.747 -18.700 0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.733 -21.085 2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.406 -21.620 0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.811 -20.065 1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.923 -21.797 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.935 -21.430 -1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.875 -19.695 -1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.990 -20.465 -2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.463 -19.834 -0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.521 -21.515 -1.212 1.00 0.00 H new ATOM 649 N ARG A 39 -9.187 -19.562 4.331 1.00 0.00 N ATOM 650 CA ARG A 39 -8.257 -19.328 5.439 1.00 0.00 C ATOM 651 C ARG A 39 -6.808 -19.186 4.889 1.00 0.00 C ATOM 652 O ARG A 39 -6.218 -20.120 4.356 1.00 0.00 O ATOM 653 CB ARG A 39 -8.358 -20.446 6.527 1.00 0.00 C ATOM 654 CG ARG A 39 -7.863 -21.879 6.202 1.00 0.00 C ATOM 655 CD ARG A 39 -8.684 -22.649 5.149 1.00 0.00 C ATOM 656 NE ARG A 39 -8.190 -24.068 5.099 1.00 0.00 N ATOM 657 CZ ARG A 39 -8.632 -24.979 4.175 1.00 0.00 C ATOM 658 NH1 ARG A 39 -9.565 -24.630 3.241 1.00 0.00 N ATOM 659 NH2 ARG A 39 -8.131 -26.247 4.190 1.00 0.00 N ATOM 0 H ARG A 39 -9.553 -20.514 4.329 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.533 -18.395 5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.806 -20.101 7.401 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.405 -20.522 6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.831 -21.817 5.857 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.856 -22.459 7.125 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.743 -22.626 5.405 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.582 -22.178 4.171 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.495 -24.366 5.783 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.941 -23.682 3.225 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.886 -25.317 2.559 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.433 -26.511 4.885 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.454 -26.931 3.506 1.00 0.00 H new ATOM 673 N VAL A 40 -6.228 -17.968 4.897 1.00 0.00 N ATOM 674 CA VAL A 40 -4.956 -17.691 4.232 1.00 0.00 C ATOM 675 C VAL A 40 -4.294 -16.571 4.962 1.00 0.00 C ATOM 676 O VAL A 40 -4.990 -15.764 5.574 1.00 0.00 O ATOM 677 CB VAL A 40 -5.195 -17.331 2.755 1.00 0.00 C ATOM 678 CG1 VAL A 40 -6.144 -16.120 2.553 1.00 0.00 C ATOM 679 CG2 VAL A 40 -3.919 -17.168 1.902 1.00 0.00 C ATOM 0 H VAL A 40 -6.633 -17.157 5.365 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.313 -18.571 4.249 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.700 -18.220 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.265 -15.926 1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.116 -16.342 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.719 -15.240 3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.195 -16.915 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.302 -16.372 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.357 -18.102 1.906 1.00 0.00 H new ATOM 689 N HIS A 41 -2.926 -16.444 4.907 1.00 0.00 N ATOM 690 CA HIS A 41 -2.206 -15.316 5.494 1.00 0.00 C ATOM 691 C HIS A 41 -2.314 -14.165 4.545 1.00 0.00 C ATOM 692 O HIS A 41 -1.936 -14.192 3.368 1.00 0.00 O ATOM 693 CB HIS A 41 -0.685 -15.438 5.864 1.00 0.00 C ATOM 694 CG HIS A 41 -0.181 -14.444 6.939 1.00 0.00 C ATOM 695 ND1 HIS A 41 -0.448 -13.084 7.056 1.00 0.00 N ATOM 696 CD2 HIS A 41 0.595 -14.729 8.016 1.00 0.00 C ATOM 697 CE1 HIS A 41 0.191 -12.633 8.170 1.00 0.00 C ATOM 698 NE2 HIS A 41 0.812 -13.601 8.797 1.00 0.00 N ATOM 0 H HIS A 41 -2.319 -17.127 4.453 1.00 0.00 H new ATOM 0 HA HIS A 41 -2.695 -15.219 6.463 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -0.494 -16.453 6.214 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -0.096 -15.297 4.958 1.00 0.00 H new ATOM 0 HD2 HIS A 41 0.993 -15.708 8.237 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.187 -11.604 8.497 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.339 -13.540 9.668 1.00 0.00 H new ATOM 706 N ASN A 42 -2.808 -13.061 5.123 1.00 0.00 N ATOM 707 CA ASN A 42 -2.982 -11.765 4.500 1.00 0.00 C ATOM 708 C ASN A 42 -1.676 -11.172 3.919 1.00 0.00 C ATOM 709 O ASN A 42 -1.717 -10.357 3.012 1.00 0.00 O ATOM 710 CB ASN A 42 -3.622 -10.824 5.546 1.00 0.00 C ATOM 711 CG ASN A 42 -4.265 -9.573 4.950 1.00 0.00 C ATOM 712 OD1 ASN A 42 -5.465 -9.356 5.080 1.00 0.00 O ATOM 713 ND2 ASN A 42 -3.463 -8.713 4.280 1.00 0.00 N ATOM 0 H ASN A 42 -3.112 -13.062 6.097 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.633 -11.880 3.634 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.378 -11.378 6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.858 -10.521 6.262 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.854 -7.864 3.871 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.468 -8.914 4.184 1.00 0.00 H new ATOM 720 N ASN A 43 -0.474 -11.606 4.407 1.00 0.00 N ATOM 721 CA ASN A 43 0.825 -11.194 3.894 1.00 0.00 C ATOM 722 C ASN A 43 1.150 -11.867 2.563 1.00 0.00 C ATOM 723 O ASN A 43 1.804 -11.272 1.728 1.00 0.00 O ATOM 724 CB ASN A 43 1.991 -11.307 4.913 1.00 0.00 C ATOM 725 CG ASN A 43 2.896 -10.059 4.900 1.00 0.00 C ATOM 726 OD1 ASN A 43 4.037 -10.141 4.443 1.00 0.00 O ATOM 727 ND2 ASN A 43 2.405 -8.882 5.386 1.00 0.00 N ATOM 0 H ASN A 43 -0.405 -12.264 5.183 1.00 0.00 H new ATOM 0 HA ASN A 43 0.729 -10.124 3.710 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.584 -11.449 5.914 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.588 -12.190 4.684 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.986 -8.044 5.376 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.457 -8.840 5.759 1.00 0.00 H new ATOM 734 N ILE A 44 0.608 -13.093 2.296 1.00 0.00 N ATOM 735 CA ILE A 44 0.679 -13.852 1.032 1.00 0.00 C ATOM 736 C ILE A 44 -0.152 -13.138 -0.024 1.00 0.00 C ATOM 737 O ILE A 44 0.279 -12.862 -1.144 1.00 0.00 O ATOM 738 CB ILE A 44 0.193 -15.283 1.206 1.00 0.00 C ATOM 739 CG1 ILE A 44 1.146 -15.983 2.197 1.00 0.00 C ATOM 740 CG2 ILE A 44 0.045 -16.058 -0.135 1.00 0.00 C ATOM 741 CD1 ILE A 44 0.492 -17.219 2.771 1.00 0.00 C ATOM 0 H ILE A 44 0.080 -13.598 3.008 1.00 0.00 H new ATOM 0 HA ILE A 44 1.721 -13.901 0.716 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.820 -15.270 1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.072 -16.255 1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.412 -15.297 3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.305 -17.070 0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.674 -15.546 -0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.011 -16.102 -0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.176 -17.702 3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.421 -16.937 3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.249 -17.910 1.964 1.00 0.00 H new ATOM 753 N VAL A 45 -1.380 -12.752 0.419 1.00 0.00 N ATOM 754 CA VAL A 45 -2.383 -11.983 -0.315 1.00 0.00 C ATOM 755 C VAL A 45 -1.955 -10.525 -0.552 1.00 0.00 C ATOM 756 O VAL A 45 -2.258 -9.959 -1.597 1.00 0.00 O ATOM 757 CB VAL A 45 -3.764 -12.054 0.336 1.00 0.00 C ATOM 758 CG1 VAL A 45 -4.108 -13.497 0.749 1.00 0.00 C ATOM 759 CG2 VAL A 45 -4.858 -11.533 -0.628 1.00 0.00 C ATOM 0 H VAL A 45 -1.700 -12.992 1.357 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.460 -12.458 -1.293 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.734 -11.423 1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.096 -13.518 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.105 -14.138 -0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.367 -13.858 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.831 -11.594 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.648 -10.496 -0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.866 -12.142 -1.532 1.00 0.00 H new ATOM 769 N TYR A 46 -1.172 -9.885 0.391 1.00 0.00 N ATOM 770 CA TYR A 46 -0.619 -8.515 0.316 1.00 0.00 C ATOM 771 C TYR A 46 0.338 -8.395 -0.846 1.00 0.00 C ATOM 772 O TYR A 46 0.099 -7.574 -1.717 1.00 0.00 O ATOM 773 CB TYR A 46 0.116 -8.076 1.646 1.00 0.00 C ATOM 774 CG TYR A 46 -0.075 -6.634 2.094 1.00 0.00 C ATOM 775 CD1 TYR A 46 -0.164 -6.397 3.458 1.00 0.00 C ATOM 776 CD2 TYR A 46 -0.223 -5.534 1.255 1.00 0.00 C ATOM 777 CE1 TYR A 46 -0.688 -5.222 3.932 1.00 0.00 C ATOM 778 CE2 TYR A 46 -0.559 -4.297 1.758 1.00 0.00 C ATOM 779 CZ TYR A 46 -0.836 -4.143 3.091 1.00 0.00 C ATOM 780 OH TYR A 46 -1.282 -2.898 3.568 1.00 0.00 O ATOM 0 H TYR A 46 -0.908 -10.351 1.259 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.469 -7.848 0.173 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.221 -8.729 2.451 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.184 -8.253 1.518 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.183 -7.146 4.154 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.072 -5.652 0.192 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.985 -5.143 4.967 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.604 -3.443 1.098 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.260 -2.903 3.630 1.00 0.00 H new ATOM 790 N ASN A 47 1.331 -9.325 -0.932 1.00 0.00 N ATOM 791 CA ASN A 47 2.351 -9.512 -1.974 1.00 0.00 C ATOM 792 C ASN A 47 1.795 -9.804 -3.349 1.00 0.00 C ATOM 793 O ASN A 47 2.335 -9.406 -4.380 1.00 0.00 O ATOM 794 CB ASN A 47 3.247 -10.694 -1.527 1.00 0.00 C ATOM 795 CG ASN A 47 4.207 -10.033 -0.566 1.00 0.00 C ATOM 796 OD1 ASN A 47 5.199 -9.452 -1.009 1.00 0.00 O ATOM 797 ND2 ASN A 47 3.833 -9.959 0.732 1.00 0.00 N ATOM 0 H ASN A 47 1.437 -10.024 -0.197 1.00 0.00 H new ATOM 0 HA ASN A 47 2.898 -8.574 -2.073 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.668 -11.482 -1.045 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.766 -11.150 -2.370 1.00 0.00 H new ATOM 0 HD21 ASN A 47 4.381 -9.404 1.390 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.003 -10.458 1.053 1.00 0.00 H new ATOM 804 N GLU A 48 0.616 -10.466 -3.339 1.00 0.00 N ATOM 805 CA GLU A 48 -0.209 -10.756 -4.525 1.00 0.00 C ATOM 806 C GLU A 48 -0.953 -9.521 -5.046 1.00 0.00 C ATOM 807 O GLU A 48 -0.969 -9.230 -6.239 1.00 0.00 O ATOM 808 CB GLU A 48 -1.230 -11.902 -4.291 1.00 0.00 C ATOM 809 CG GLU A 48 -1.888 -12.392 -5.599 1.00 0.00 C ATOM 810 CD GLU A 48 -2.527 -13.770 -5.447 1.00 0.00 C ATOM 811 OE1 GLU A 48 -3.727 -13.909 -5.803 1.00 0.00 O ATOM 812 OE2 GLU A 48 -1.817 -14.712 -4.998 1.00 0.00 O ATOM 0 H GLU A 48 0.203 -10.822 -2.477 1.00 0.00 H new ATOM 0 HA GLU A 48 0.507 -11.080 -5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.726 -12.739 -3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.005 -11.558 -3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.647 -11.675 -5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.138 -12.427 -6.389 1.00 0.00 H new ATOM 819 N TYR A 49 -1.540 -8.744 -4.094 1.00 0.00 N ATOM 820 CA TYR A 49 -2.272 -7.489 -4.224 1.00 0.00 C ATOM 821 C TYR A 49 -1.379 -6.335 -4.682 1.00 0.00 C ATOM 822 O TYR A 49 -1.696 -5.657 -5.648 1.00 0.00 O ATOM 823 CB TYR A 49 -3.065 -7.199 -2.887 1.00 0.00 C ATOM 824 CG TYR A 49 -3.288 -5.757 -2.494 1.00 0.00 C ATOM 825 CD1 TYR A 49 -4.133 -4.924 -3.189 1.00 0.00 C ATOM 826 CD2 TYR A 49 -2.392 -5.200 -1.610 1.00 0.00 C ATOM 827 CE1 TYR A 49 -4.087 -3.574 -2.935 1.00 0.00 C ATOM 828 CE2 TYR A 49 -2.255 -3.837 -1.471 1.00 0.00 C ATOM 829 CZ TYR A 49 -3.176 -3.012 -2.082 1.00 0.00 C ATOM 830 OH TYR A 49 -3.195 -1.604 -1.960 1.00 0.00 O ATOM 0 H TYR A 49 -1.497 -9.029 -3.116 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.007 -7.587 -5.023 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.041 -7.678 -2.967 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.535 -7.690 -2.071 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.820 -5.323 -3.921 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.778 -5.852 -1.007 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.799 -2.930 -3.429 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.442 -3.422 -0.894 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.046 -1.258 -2.301 1.00 0.00 H new ATOM 840 N ILE A 50 -0.233 -6.090 -3.993 1.00 0.00 N ATOM 841 CA ILE A 50 0.700 -4.984 -4.290 1.00 0.00 C ATOM 842 C ILE A 50 1.551 -5.131 -5.541 1.00 0.00 C ATOM 843 O ILE A 50 2.177 -4.174 -5.998 1.00 0.00 O ATOM 844 CB ILE A 50 1.641 -4.601 -3.162 1.00 0.00 C ATOM 845 CG1 ILE A 50 2.515 -5.771 -2.684 1.00 0.00 C ATOM 846 CG2 ILE A 50 0.837 -3.999 -2.027 1.00 0.00 C ATOM 847 CD1 ILE A 50 3.345 -5.593 -1.416 1.00 0.00 C ATOM 0 H ILE A 50 0.067 -6.666 -3.207 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.032 -4.192 -4.452 1.00 0.00 H new ATOM 0 HB ILE A 50 2.342 -3.858 -3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.863 -6.632 -2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.199 -6.026 -3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.507 -3.722 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.312 -3.112 -2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.112 -4.729 -1.667 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.904 -6.507 -1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.041 -4.765 -1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.684 -5.380 -0.576 1.00 0.00 H new ATOM 859 N SER A 51 1.534 -6.334 -6.148 1.00 0.00 N ATOM 860 CA SER A 51 2.165 -6.692 -7.421 1.00 0.00 C ATOM 861 C SER A 51 1.227 -6.326 -8.584 1.00 0.00 C ATOM 862 O SER A 51 0.894 -7.129 -9.446 1.00 0.00 O ATOM 863 CB SER A 51 2.537 -8.197 -7.521 1.00 0.00 C ATOM 864 OG SER A 51 3.493 -8.539 -6.521 1.00 0.00 O ATOM 0 H SER A 51 1.047 -7.127 -5.731 1.00 0.00 H new ATOM 0 HA SER A 51 3.095 -6.127 -7.477 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.642 -8.808 -7.402 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.942 -8.413 -8.510 1.00 0.00 H new ATOM 0 HG SER A 51 3.036 -8.678 -5.665 1.00 0.00 H new ATOM 870 N HIS A 52 0.767 -5.058 -8.571 1.00 0.00 N ATOM 871 CA HIS A 52 -0.183 -4.394 -9.443 1.00 0.00 C ATOM 872 C HIS A 52 0.311 -2.945 -9.388 1.00 0.00 C ATOM 873 O HIS A 52 1.493 -2.702 -9.150 1.00 0.00 O ATOM 874 CB HIS A 52 -1.624 -4.574 -8.854 1.00 0.00 C ATOM 875 CG HIS A 52 -2.329 -5.887 -9.146 1.00 0.00 C ATOM 876 ND1 HIS A 52 -3.267 -6.084 -10.148 1.00 0.00 N ATOM 877 CD2 HIS A 52 -2.338 -7.037 -8.414 1.00 0.00 C ATOM 878 CE1 HIS A 52 -3.798 -7.321 -9.956 1.00 0.00 C ATOM 879 NE2 HIS A 52 -3.269 -7.932 -8.922 1.00 0.00 N ATOM 0 H HIS A 52 1.103 -4.411 -7.858 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.241 -4.770 -10.464 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.565 -4.454 -7.772 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.248 -3.763 -9.231 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -3.512 -5.426 -10.888 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.708 -7.225 -7.557 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.566 -7.751 -10.582 1.00 0.00 H new ATOM 887 N ARG A 53 -0.555 -1.900 -9.549 1.00 0.00 N ATOM 888 CA ARG A 53 -0.173 -0.478 -9.456 1.00 0.00 C ATOM 889 C ARG A 53 0.149 0.029 -8.045 1.00 0.00 C ATOM 890 O ARG A 53 1.060 0.815 -7.806 1.00 0.00 O ATOM 891 CB ARG A 53 -1.180 0.484 -10.144 1.00 0.00 C ATOM 892 CG ARG A 53 -2.652 0.313 -9.737 1.00 0.00 C ATOM 893 CD ARG A 53 -3.172 1.118 -8.521 1.00 0.00 C ATOM 894 NE ARG A 53 -4.675 0.998 -8.505 1.00 0.00 N ATOM 895 CZ ARG A 53 -5.533 2.025 -8.208 1.00 0.00 C ATOM 896 NH1 ARG A 53 -5.067 3.270 -7.907 1.00 0.00 N ATOM 897 NH2 ARG A 53 -6.878 1.792 -8.203 1.00 0.00 N ATOM 0 H ARG A 53 -1.546 -2.035 -9.749 1.00 0.00 H new ATOM 0 HA ARG A 53 0.764 -0.459 -10.013 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.880 1.509 -9.928 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.103 0.350 -11.223 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.268 0.574 -10.597 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.821 -0.744 -9.533 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.747 0.731 -7.595 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.872 2.163 -8.597 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.081 0.090 -8.731 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.063 3.451 -7.900 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.722 4.021 -7.689 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.235 0.861 -8.419 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.526 2.549 -7.983 1.00 0.00 H new ATOM 911 N GLU A 54 -0.666 -0.448 -7.095 1.00 0.00 N ATOM 912 CA GLU A 54 -0.831 -0.169 -5.684 1.00 0.00 C ATOM 913 C GLU A 54 0.296 -0.409 -4.699 1.00 0.00 C ATOM 914 O GLU A 54 -0.012 -0.453 -3.512 1.00 0.00 O ATOM 915 CB GLU A 54 -2.099 -0.939 -5.223 1.00 0.00 C ATOM 916 CG GLU A 54 -2.053 -2.444 -5.561 1.00 0.00 C ATOM 917 CD GLU A 54 -3.255 -2.835 -6.427 1.00 0.00 C ATOM 918 OE1 GLU A 54 -3.918 -3.856 -6.111 1.00 0.00 O ATOM 919 OE2 GLU A 54 -3.520 -2.125 -7.433 1.00 0.00 O ATOM 0 H GLU A 54 -1.338 -1.166 -7.365 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.884 0.919 -5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.218 -0.819 -4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.977 -0.495 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.127 -2.677 -6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.053 -3.030 -4.642 1.00 0.00 H new ATOM 926 N HIS A 55 1.567 -0.656 -5.145 1.00 0.00 N ATOM 927 CA HIS A 55 2.753 -1.065 -4.367 1.00 0.00 C ATOM 928 C HIS A 55 3.099 -0.452 -2.993 1.00 0.00 C ATOM 929 O HIS A 55 4.098 0.226 -2.786 1.00 0.00 O ATOM 930 CB HIS A 55 4.024 -1.353 -5.223 1.00 0.00 C ATOM 931 CG HIS A 55 4.883 -2.489 -4.677 1.00 0.00 C ATOM 932 ND1 HIS A 55 6.047 -2.941 -5.273 1.00 0.00 N ATOM 933 CD2 HIS A 55 4.678 -3.319 -3.610 1.00 0.00 C ATOM 934 CE1 HIS A 55 6.475 -4.010 -4.551 1.00 0.00 C ATOM 935 NE2 HIS A 55 5.680 -4.273 -3.536 1.00 0.00 N ATOM 0 H HIS A 55 1.792 -0.564 -6.135 1.00 0.00 H new ATOM 0 HA HIS A 55 2.305 -1.994 -4.014 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.719 -1.596 -6.241 1.00 0.00 H new ATOM 0 HB3 HIS A 55 4.627 -0.447 -5.279 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.850 -3.242 -2.921 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.364 -4.577 -4.783 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.780 -5.017 -2.845 1.00 0.00 H new ATOM 943 N ILE A 56 2.218 -0.788 -2.021 1.00 0.00 N ATOM 944 CA ILE A 56 2.129 -0.516 -0.594 1.00 0.00 C ATOM 945 C ILE A 56 2.901 -1.583 0.206 1.00 0.00 C ATOM 946 O ILE A 56 3.378 -2.582 -0.319 1.00 0.00 O ATOM 947 CB ILE A 56 0.624 -0.436 -0.257 1.00 0.00 C ATOM 948 CG1 ILE A 56 0.167 0.970 -0.690 1.00 0.00 C ATOM 949 CG2 ILE A 56 0.142 -0.712 1.195 1.00 0.00 C ATOM 950 CD1 ILE A 56 -1.337 1.061 -0.571 1.00 0.00 C ATOM 0 H ILE A 56 1.417 -1.359 -2.290 1.00 0.00 H new ATOM 0 HA ILE A 56 2.599 0.428 -0.317 1.00 0.00 H new ATOM 0 HB ILE A 56 0.173 -1.273 -0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.640 1.728 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.475 1.166 -1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.942 -0.611 1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.426 -1.723 1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.604 0.004 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.667 2.054 -0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.799 0.312 -1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.632 0.883 0.463 1.00 0.00 H new ATOM 962 N HIS A 57 2.986 -1.399 1.535 1.00 0.00 N ATOM 963 CA HIS A 57 3.429 -2.353 2.534 1.00 0.00 C ATOM 964 C HIS A 57 2.398 -2.268 3.654 1.00 0.00 C ATOM 965 O HIS A 57 1.779 -1.225 3.839 1.00 0.00 O ATOM 966 CB HIS A 57 4.815 -2.000 3.131 1.00 0.00 C ATOM 967 CG HIS A 57 5.402 -3.066 4.031 1.00 0.00 C ATOM 968 ND1 HIS A 57 6.397 -2.784 4.941 1.00 0.00 N ATOM 969 CD2 HIS A 57 5.101 -4.388 4.211 1.00 0.00 C ATOM 970 CE1 HIS A 57 6.627 -3.923 5.639 1.00 0.00 C ATOM 971 NE2 HIS A 57 5.856 -4.912 5.238 1.00 0.00 N ATOM 0 H HIS A 57 2.724 -0.508 1.958 1.00 0.00 H new ATOM 0 HA HIS A 57 3.521 -3.340 2.082 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.510 -1.809 2.314 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.727 -1.073 3.697 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.376 -4.941 3.632 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.357 -4.009 6.431 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.824 -5.862 5.608 1.00 0.00 H new ATOM 979 N MET A 58 2.235 -3.326 4.494 1.00 0.00 N ATOM 980 CA MET A 58 1.351 -3.444 5.671 1.00 0.00 C ATOM 981 C MET A 58 1.602 -2.438 6.778 1.00 0.00 C ATOM 982 O MET A 58 0.757 -2.047 7.578 1.00 0.00 O ATOM 983 CB MET A 58 1.585 -4.876 6.203 1.00 0.00 C ATOM 984 CG MET A 58 0.555 -5.551 7.127 1.00 0.00 C ATOM 985 SD MET A 58 -1.018 -4.681 7.461 1.00 0.00 S ATOM 986 CE MET A 58 -0.512 -4.562 9.159 1.00 0.00 C ATOM 0 H MET A 58 2.765 -4.185 4.347 1.00 0.00 H new ATOM 0 HA MET A 58 0.326 -3.239 5.361 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.710 -5.524 5.335 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.536 -4.869 6.735 1.00 0.00 H new ATOM 0 HG2 MET A 58 0.312 -6.523 6.698 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.041 -5.738 8.085 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.393 -4.490 9.797 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.061 -5.448 9.431 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.107 -3.675 9.293 1.00 0.00 H new ATOM 996 N ASN A 59 2.860 -1.976 6.779 1.00 0.00 N ATOM 997 CA ASN A 59 3.433 -1.031 7.684 1.00 0.00 C ATOM 998 C ASN A 59 3.198 0.453 7.242 1.00 0.00 C ATOM 999 O ASN A 59 3.577 1.384 7.942 1.00 0.00 O ATOM 1000 CB ASN A 59 4.885 -1.519 7.933 1.00 0.00 C ATOM 1001 CG ASN A 59 5.000 -2.932 8.576 1.00 0.00 C ATOM 1002 OD1 ASN A 59 5.686 -3.005 9.597 1.00 0.00 O ATOM 1003 ND2 ASN A 59 4.463 -4.079 8.055 1.00 0.00 N ATOM 0 H ASN A 59 3.537 -2.292 6.084 1.00 0.00 H new ATOM 0 HA ASN A 59 2.939 -0.994 8.655 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.419 -1.524 6.983 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.389 -0.800 8.579 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.633 -4.975 8.512 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.893 -4.037 7.210 1.00 0.00 H new ATOM 1010 N ALA A 60 2.460 0.693 6.090 1.00 0.00 N ATOM 1011 CA ALA A 60 1.918 1.983 5.577 1.00 0.00 C ATOM 1012 C ALA A 60 0.549 2.343 6.191 1.00 0.00 C ATOM 1013 O ALA A 60 -0.171 3.248 5.770 1.00 0.00 O ATOM 1014 CB ALA A 60 1.758 1.961 4.028 1.00 0.00 C ATOM 0 H ALA A 60 2.222 -0.077 5.464 1.00 0.00 H new ATOM 0 HA ALA A 60 2.648 2.737 5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.361 2.918 3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.729 1.787 3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.072 1.163 3.744 1.00 0.00 H new ATOM 1020 N THR A 61 0.178 1.575 7.233 1.00 0.00 N ATOM 1021 CA THR A 61 -1.073 1.614 7.968 1.00 0.00 C ATOM 1022 C THR A 61 -0.835 2.032 9.430 1.00 0.00 C ATOM 1023 O THR A 61 0.301 2.123 9.894 1.00 0.00 O ATOM 1024 CB THR A 61 -1.779 0.238 7.873 1.00 0.00 C ATOM 1025 OG1 THR A 61 -1.240 -0.777 8.724 1.00 0.00 O ATOM 1026 CG2 THR A 61 -1.762 -0.332 6.436 1.00 0.00 C ATOM 0 H THR A 61 0.804 0.859 7.601 1.00 0.00 H new ATOM 0 HA THR A 61 -1.727 2.364 7.523 1.00 0.00 H new ATOM 0 HB THR A 61 -2.793 0.467 8.201 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.416 -1.131 8.330 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.269 -1.297 6.421 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.275 0.357 5.765 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.731 -0.459 6.107 1.00 0.00 H new ATOM 1034 N GLN A 62 -1.933 2.212 10.234 1.00 0.00 N ATOM 1035 CA GLN A 62 -1.935 2.502 11.676 1.00 0.00 C ATOM 1036 C GLN A 62 -1.837 1.227 12.543 1.00 0.00 C ATOM 1037 O GLN A 62 -1.903 1.258 13.770 1.00 0.00 O ATOM 1038 CB GLN A 62 -3.254 3.255 12.052 1.00 0.00 C ATOM 1039 CG GLN A 62 -4.536 2.483 11.643 1.00 0.00 C ATOM 1040 CD GLN A 62 -5.801 2.965 12.366 1.00 0.00 C ATOM 1041 OE1 GLN A 62 -5.914 4.071 12.906 1.00 0.00 O ATOM 1042 NE2 GLN A 62 -6.822 2.063 12.360 1.00 0.00 N ATOM 0 H GLN A 62 -2.879 2.152 9.857 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.056 3.114 11.878 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.271 3.430 13.128 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.257 4.233 11.570 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.682 2.583 10.567 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.392 1.422 11.848 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.700 1.158 11.906 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.708 2.293 12.809 1.00 0.00 H new ATOM 1051 N TRP A 63 -1.715 0.071 11.858 1.00 0.00 N ATOM 1052 CA TRP A 63 -1.634 -1.283 12.334 1.00 0.00 C ATOM 1053 C TRP A 63 -0.145 -1.673 12.317 1.00 0.00 C ATOM 1054 O TRP A 63 0.462 -1.841 11.263 1.00 0.00 O ATOM 1055 CB TRP A 63 -2.575 -2.177 11.479 1.00 0.00 C ATOM 1056 CG TRP A 63 -4.001 -1.618 11.211 1.00 0.00 C ATOM 1057 CD1 TRP A 63 -4.974 -1.295 12.118 1.00 0.00 C ATOM 1058 CD2 TRP A 63 -4.635 -1.499 9.909 1.00 0.00 C ATOM 1059 NE1 TRP A 63 -6.164 -0.988 11.472 1.00 0.00 N ATOM 1060 CE2 TRP A 63 -5.955 -1.117 10.113 1.00 0.00 C ATOM 1061 CE3 TRP A 63 -4.189 -1.754 8.638 1.00 0.00 C ATOM 1062 CZ2 TRP A 63 -6.817 -0.993 9.059 1.00 0.00 C ATOM 1063 CZ3 TRP A 63 -5.044 -1.556 7.572 1.00 0.00 C ATOM 1064 CH2 TRP A 63 -6.364 -1.203 7.766 1.00 0.00 C ATOM 0 H TRP A 63 -1.667 0.092 10.839 1.00 0.00 H new ATOM 0 HA TRP A 63 -1.985 -1.413 13.358 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -2.093 -2.360 10.519 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -2.674 -3.142 11.975 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -4.835 -1.281 13.189 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.038 -0.715 11.922 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -3.181 -2.105 8.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -7.850 -0.732 9.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -4.672 -1.680 6.566 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -7.032 -1.092 6.925 1.00 0.00 H new ATOM 1075 N GLU A 64 0.479 -1.769 13.530 1.00 0.00 N ATOM 1076 CA GLU A 64 1.897 -2.016 13.821 1.00 0.00 C ATOM 1077 C GLU A 64 2.422 -3.385 13.394 1.00 0.00 C ATOM 1078 O GLU A 64 3.605 -3.606 13.150 1.00 0.00 O ATOM 1079 CB GLU A 64 2.096 -1.791 15.351 1.00 0.00 C ATOM 1080 CG GLU A 64 3.496 -2.101 15.917 1.00 0.00 C ATOM 1081 CD GLU A 64 3.615 -1.559 17.341 1.00 0.00 C ATOM 1082 OE1 GLU A 64 2.840 -2.024 18.219 1.00 0.00 O ATOM 1083 OE2 GLU A 64 4.482 -0.673 17.569 1.00 0.00 O ATOM 0 H GLU A 64 -0.057 -1.664 14.392 1.00 0.00 H new ATOM 0 HA GLU A 64 2.485 -1.321 13.222 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.860 -0.751 15.576 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.370 -2.405 15.883 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.669 -3.177 15.913 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.261 -1.653 15.283 1.00 0.00 H new ATOM 1090 N THR A 65 1.492 -4.345 13.297 1.00 0.00 N ATOM 1091 CA THR A 65 1.729 -5.715 12.918 1.00 0.00 C ATOM 1092 C THR A 65 0.410 -6.082 12.282 1.00 0.00 C ATOM 1093 O THR A 65 -0.557 -5.321 12.369 1.00 0.00 O ATOM 1094 CB THR A 65 2.138 -6.581 14.127 1.00 0.00 C ATOM 1095 OG1 THR A 65 2.096 -7.984 13.886 1.00 0.00 O ATOM 1096 CG2 THR A 65 1.281 -6.267 15.373 1.00 0.00 C ATOM 0 H THR A 65 0.508 -4.161 13.494 1.00 0.00 H new ATOM 0 HA THR A 65 2.567 -5.873 12.240 1.00 0.00 H new ATOM 0 HB THR A 65 3.179 -6.311 14.306 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.369 -8.463 14.696 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.600 -6.898 16.203 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.405 -5.219 15.645 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.232 -6.462 15.152 1.00 0.00 H new ATOM 1104 N LEU A 66 0.301 -7.286 11.646 1.00 0.00 N ATOM 1105 CA LEU A 66 -0.889 -7.851 10.979 1.00 0.00 C ATOM 1106 C LEU A 66 -2.042 -8.066 11.943 1.00 0.00 C ATOM 1107 O LEU A 66 -3.196 -7.934 11.571 1.00 0.00 O ATOM 1108 CB LEU A 66 -0.558 -9.132 10.157 1.00 0.00 C ATOM 1109 CG LEU A 66 -1.406 -9.465 8.878 1.00 0.00 C ATOM 1110 CD1 LEU A 66 -1.027 -8.559 7.700 1.00 0.00 C ATOM 1111 CD2 LEU A 66 -2.941 -9.507 8.981 1.00 0.00 C ATOM 0 H LEU A 66 1.098 -7.920 11.588 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.222 -7.103 10.260 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.485 -9.063 9.849 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.636 -9.984 10.833 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.124 -10.507 8.726 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.634 -8.818 6.832 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.205 -7.518 7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.027 -8.697 7.460 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.364 -9.751 8.007 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.236 -10.266 9.706 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.311 -8.534 9.304 1.00 0.00 H new ATOM 1123 N THR A 67 -1.735 -8.261 13.254 1.00 0.00 N ATOM 1124 CA THR A 67 -2.648 -8.498 14.365 1.00 0.00 C ATOM 1125 C THR A 67 -3.722 -7.433 14.585 1.00 0.00 C ATOM 1126 O THR A 67 -4.896 -7.753 14.658 1.00 0.00 O ATOM 1127 CB THR A 67 -1.872 -8.573 15.705 1.00 0.00 C ATOM 1128 OG1 THR A 67 -0.686 -9.355 15.600 1.00 0.00 O ATOM 1129 CG2 THR A 67 -2.780 -9.212 16.760 1.00 0.00 C ATOM 0 H THR A 67 -0.764 -8.253 13.567 1.00 0.00 H new ATOM 0 HA THR A 67 -3.136 -9.431 14.082 1.00 0.00 H new ATOM 0 HB THR A 67 -1.584 -7.559 15.980 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.229 -9.374 16.467 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.248 -9.272 17.710 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.677 -8.605 16.884 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.062 -10.214 16.438 1.00 0.00 H new ATOM 1137 N ASP A 68 -3.375 -6.124 14.635 1.00 0.00 N ATOM 1138 CA ASP A 68 -4.281 -4.976 14.790 1.00 0.00 C ATOM 1139 C ASP A 68 -5.129 -4.603 13.599 1.00 0.00 C ATOM 1140 O ASP A 68 -6.212 -4.043 13.740 1.00 0.00 O ATOM 1141 CB ASP A 68 -3.633 -3.788 15.522 1.00 0.00 C ATOM 1142 CG ASP A 68 -3.454 -4.031 17.031 1.00 0.00 C ATOM 1143 OD1 ASP A 68 -3.925 -5.075 17.553 1.00 0.00 O ATOM 1144 OD2 ASP A 68 -2.829 -3.148 17.680 1.00 0.00 O ATOM 0 H ASP A 68 -2.400 -5.832 14.564 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.046 -5.360 15.464 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.660 -3.581 15.076 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.247 -2.900 15.374 1.00 0.00 H new ATOM 1149 N PHE A 69 -4.660 -4.944 12.380 1.00 0.00 N ATOM 1150 CA PHE A 69 -5.360 -4.838 11.110 1.00 0.00 C ATOM 1151 C PHE A 69 -6.445 -5.924 10.997 1.00 0.00 C ATOM 1152 O PHE A 69 -7.568 -5.670 10.572 1.00 0.00 O ATOM 1153 CB PHE A 69 -4.256 -4.828 10.028 1.00 0.00 C ATOM 1154 CG PHE A 69 -4.676 -5.250 8.659 1.00 0.00 C ATOM 1155 CD1 PHE A 69 -3.968 -6.257 8.075 1.00 0.00 C ATOM 1156 CD2 PHE A 69 -5.822 -4.769 8.047 1.00 0.00 C ATOM 1157 CE1 PHE A 69 -4.452 -6.871 6.955 1.00 0.00 C ATOM 1158 CE2 PHE A 69 -6.305 -5.373 6.910 1.00 0.00 C ATOM 1159 CZ PHE A 69 -5.628 -6.448 6.377 1.00 0.00 C ATOM 0 H PHE A 69 -3.720 -5.324 12.264 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.941 -3.924 10.991 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.845 -3.820 9.966 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.448 -5.482 10.356 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.024 -6.570 8.497 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.338 -3.917 8.464 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.908 -7.696 6.519 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.206 -5.008 6.439 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.019 -6.957 5.508 1.00 0.00 H new ATOM 1169 N THR A 70 -6.098 -7.133 11.497 1.00 0.00 N ATOM 1170 CA THR A 70 -6.912 -8.352 11.631 1.00 0.00 C ATOM 1171 C THR A 70 -7.982 -8.167 12.705 1.00 0.00 C ATOM 1172 O THR A 70 -9.114 -8.617 12.551 1.00 0.00 O ATOM 1173 CB THR A 70 -5.990 -9.556 11.801 1.00 0.00 C ATOM 1174 OG1 THR A 70 -6.051 -10.471 10.712 1.00 0.00 O ATOM 1175 CG2 THR A 70 -6.047 -10.316 13.123 1.00 0.00 C ATOM 0 H THR A 70 -5.153 -7.288 11.848 1.00 0.00 H new ATOM 0 HA THR A 70 -7.484 -8.553 10.725 1.00 0.00 H new ATOM 0 HB THR A 70 -5.021 -9.058 11.815 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.439 -11.218 10.878 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.338 -11.144 13.098 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.790 -9.643 13.941 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.054 -10.705 13.276 1.00 0.00 H new ATOM 1183 N LYS A 71 -7.646 -7.387 13.796 1.00 0.00 N ATOM 1184 CA LYS A 71 -8.603 -6.910 14.806 1.00 0.00 C ATOM 1185 C LYS A 71 -9.683 -5.952 14.219 1.00 0.00 C ATOM 1186 O LYS A 71 -10.866 -6.129 14.485 1.00 0.00 O ATOM 1187 CB LYS A 71 -7.976 -6.169 16.043 1.00 0.00 C ATOM 1188 CG LYS A 71 -6.908 -6.926 16.867 1.00 0.00 C ATOM 1189 CD LYS A 71 -7.288 -8.403 17.078 1.00 0.00 C ATOM 1190 CE LYS A 71 -6.272 -9.310 17.780 1.00 0.00 C ATOM 1191 NZ LYS A 71 -6.926 -10.554 18.254 1.00 0.00 N ATOM 0 H LYS A 71 -6.689 -7.083 13.978 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.042 -7.848 15.147 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.530 -5.240 15.687 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.788 -5.895 16.717 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.947 -6.868 16.357 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.785 -6.441 17.835 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.214 -8.432 17.652 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.504 -8.836 16.101 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.461 -9.557 17.094 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.826 -8.782 18.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.223 -11.157 18.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.684 -10.314 18.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.330 -11.064 17.443 1.00 0.00 H new ATOM 1205 N TRP A 72 -9.284 -4.935 13.384 1.00 0.00 N ATOM 1206 CA TRP A 72 -10.157 -3.963 12.700 1.00 0.00 C ATOM 1207 C TRP A 72 -11.017 -4.557 11.569 1.00 0.00 C ATOM 1208 O TRP A 72 -12.228 -4.398 11.550 1.00 0.00 O ATOM 1209 CB TRP A 72 -9.325 -2.744 12.158 1.00 0.00 C ATOM 1210 CG TRP A 72 -10.071 -1.699 11.305 1.00 0.00 C ATOM 1211 CD1 TRP A 72 -10.865 -0.656 11.685 1.00 0.00 C ATOM 1212 CD2 TRP A 72 -10.159 -1.769 9.865 1.00 0.00 C ATOM 1213 NE1 TRP A 72 -11.437 -0.072 10.575 1.00 0.00 N ATOM 1214 CE2 TRP A 72 -11.016 -0.753 9.448 1.00 0.00 C ATOM 1215 CE3 TRP A 72 -9.583 -2.618 8.961 1.00 0.00 C ATOM 1216 CZ2 TRP A 72 -11.264 -0.540 8.117 1.00 0.00 C ATOM 1217 CZ3 TRP A 72 -9.835 -2.407 7.626 1.00 0.00 C ATOM 1218 CH2 TRP A 72 -10.630 -1.357 7.199 1.00 0.00 C ATOM 0 H TRP A 72 -8.299 -4.779 13.172 1.00 0.00 H new ATOM 0 HA TRP A 72 -10.857 -3.628 13.465 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -8.886 -2.230 13.013 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -8.500 -3.137 11.564 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -11.022 -0.336 12.704 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -12.067 0.730 10.584 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -8.949 -3.430 9.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -11.935 0.243 7.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -9.404 -3.075 6.895 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -10.756 -1.175 6.142 1.00 0.00 H new ATOM 1229 N LEU A 73 -10.401 -5.256 10.581 1.00 0.00 N ATOM 1230 CA LEU A 73 -10.989 -5.913 9.390 1.00 0.00 C ATOM 1231 C LEU A 73 -11.912 -7.064 9.687 1.00 0.00 C ATOM 1232 O LEU A 73 -12.962 -7.249 9.069 1.00 0.00 O ATOM 1233 CB LEU A 73 -9.839 -6.330 8.448 1.00 0.00 C ATOM 1234 CG LEU A 73 -10.010 -7.435 7.354 1.00 0.00 C ATOM 1235 CD1 LEU A 73 -10.258 -6.731 6.037 1.00 0.00 C ATOM 1236 CD2 LEU A 73 -8.714 -8.245 7.191 1.00 0.00 C ATOM 0 H LEU A 73 -9.389 -5.384 10.602 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.640 -5.184 8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.515 -5.426 7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.013 -6.646 9.085 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.825 -8.101 7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.383 -7.471 5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.161 -6.125 6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.409 -6.089 5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.856 -9.008 6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.904 -7.579 6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.462 -8.723 8.138 1.00 0.00 H new ATOM 1248 N GLY A 74 -11.536 -7.819 10.758 1.00 0.00 N ATOM 1249 CA GLY A 74 -12.298 -8.848 11.458 1.00 0.00 C ATOM 1250 C GLY A 74 -13.538 -8.333 12.137 1.00 0.00 C ATOM 1251 O GLY A 74 -14.518 -9.043 12.343 1.00 0.00 O ATOM 0 H GLY A 74 -10.613 -7.699 11.174 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.581 -9.624 10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.656 -9.318 12.203 1.00 0.00 H new ATOM 1255 N ARG A 75 -13.503 -7.028 12.519 1.00 0.00 N ATOM 1256 CA ARG A 75 -14.600 -6.338 13.198 1.00 0.00 C ATOM 1257 C ARG A 75 -15.725 -5.897 12.281 1.00 0.00 C ATOM 1258 O ARG A 75 -16.835 -5.622 12.728 1.00 0.00 O ATOM 1259 CB ARG A 75 -14.083 -5.053 13.884 1.00 0.00 C ATOM 1260 CG ARG A 75 -14.853 -4.576 15.117 1.00 0.00 C ATOM 1261 CD ARG A 75 -14.015 -3.586 15.935 1.00 0.00 C ATOM 1262 NE ARG A 75 -14.864 -2.955 17.010 1.00 0.00 N ATOM 1263 CZ ARG A 75 -15.613 -1.821 16.829 1.00 0.00 C ATOM 1264 NH1 ARG A 75 -15.640 -1.176 15.627 1.00 0.00 N ATOM 1265 NH2 ARG A 75 -16.345 -1.332 17.872 1.00 0.00 N ATOM 0 H ARG A 75 -12.694 -6.429 12.355 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.987 -7.073 13.904 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.045 -5.216 14.173 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.087 -4.249 13.148 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.785 -4.102 14.808 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -15.121 -5.431 15.737 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.167 -4.101 16.386 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.609 -2.814 15.281 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.882 -3.399 17.928 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.096 -1.536 14.843 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.204 -0.334 15.513 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.331 -1.809 18.773 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.906 -0.489 17.750 1.00 0.00 H new ATOM 1279 N GLU A 76 -15.438 -5.760 10.962 1.00 0.00 N ATOM 1280 CA GLU A 76 -16.341 -5.175 9.990 1.00 0.00 C ATOM 1281 C GLU A 76 -17.361 -6.136 9.395 1.00 0.00 C ATOM 1282 O GLU A 76 -18.366 -5.714 8.828 1.00 0.00 O ATOM 1283 CB GLU A 76 -15.532 -4.512 8.844 1.00 0.00 C ATOM 1284 CG GLU A 76 -14.739 -3.289 9.331 1.00 0.00 C ATOM 1285 CD GLU A 76 -13.969 -2.683 8.164 1.00 0.00 C ATOM 1286 OE1 GLU A 76 -14.333 -1.558 7.729 1.00 0.00 O ATOM 1287 OE2 GLU A 76 -13.006 -3.340 7.692 1.00 0.00 O ATOM 0 H GLU A 76 -14.553 -6.064 10.557 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.917 -4.437 10.548 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.845 -5.242 8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.212 -4.209 8.048 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.417 -2.549 9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.049 -3.582 10.123 1.00 0.00 H new ATOM 1294 N GLY A 77 -17.088 -7.469 9.477 1.00 0.00 N ATOM 1295 CA GLY A 77 -17.953 -8.494 8.893 1.00 0.00 C ATOM 1296 C GLY A 77 -17.463 -8.913 7.538 1.00 0.00 C ATOM 1297 O GLY A 77 -18.194 -9.491 6.747 1.00 0.00 O ATOM 0 H GLY A 77 -16.265 -7.844 9.949 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.990 -9.361 9.553 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -18.970 -8.111 8.812 1.00 0.00 H new ATOM 1301 N LEU A 78 -16.168 -8.631 7.244 1.00 0.00 N ATOM 1302 CA LEU A 78 -15.508 -8.975 5.986 1.00 0.00 C ATOM 1303 C LEU A 78 -14.680 -10.187 6.145 1.00 0.00 C ATOM 1304 O LEU A 78 -14.647 -11.009 5.253 1.00 0.00 O ATOM 1305 CB LEU A 78 -14.555 -7.919 5.369 1.00 0.00 C ATOM 1306 CG LEU A 78 -15.100 -6.500 5.543 1.00 0.00 C ATOM 1307 CD1 LEU A 78 -13.936 -5.507 5.556 1.00 0.00 C ATOM 1308 CD2 LEU A 78 -16.187 -6.235 4.487 1.00 0.00 C ATOM 0 H LEU A 78 -15.552 -8.148 7.898 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.360 -9.087 5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.575 -7.993 5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.416 -8.129 4.308 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.598 -6.371 6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.322 -4.495 5.680 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.265 -5.743 6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.390 -5.574 4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.576 -5.224 4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.759 -6.340 3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.998 -6.953 4.611 1.00 0.00 H new ATOM 1320 N CYS A 79 -13.937 -10.315 7.255 1.00 0.00 N ATOM 1321 CA CYS A 79 -13.030 -11.432 7.490 1.00 0.00 C ATOM 1322 C CYS A 79 -13.155 -12.064 8.874 1.00 0.00 C ATOM 1323 O CYS A 79 -13.523 -11.436 9.858 1.00 0.00 O ATOM 1324 CB CYS A 79 -11.559 -11.073 7.166 1.00 0.00 C ATOM 1325 SG CYS A 79 -11.338 -10.091 5.641 1.00 0.00 S ATOM 0 H CYS A 79 -13.954 -9.637 8.017 1.00 0.00 H new ATOM 0 HA CYS A 79 -13.353 -12.199 6.786 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -11.141 -10.517 8.005 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.984 -11.995 7.076 1.00 0.00 H new ATOM 0 HG CYS A 79 -11.616 -10.828 4.606 1.00 0.00 H new ATOM 1331 N LYS A 80 -12.806 -13.362 8.983 1.00 0.00 N ATOM 1332 CA LYS A 80 -12.744 -14.178 10.180 1.00 0.00 C ATOM 1333 C LYS A 80 -11.270 -14.403 10.487 1.00 0.00 C ATOM 1334 O LYS A 80 -10.476 -14.493 9.568 1.00 0.00 O ATOM 1335 CB LYS A 80 -13.489 -15.522 9.905 1.00 0.00 C ATOM 1336 CG LYS A 80 -14.480 -15.927 11.003 1.00 0.00 C ATOM 1337 CD LYS A 80 -15.653 -14.955 11.218 1.00 0.00 C ATOM 1338 CE LYS A 80 -17.025 -15.564 10.881 1.00 0.00 C ATOM 1339 NZ LYS A 80 -17.095 -16.021 9.473 1.00 0.00 N ATOM 0 H LYS A 80 -12.540 -13.898 8.157 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.223 -13.701 11.035 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.025 -15.441 8.959 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.751 -16.316 9.786 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.884 -16.910 10.761 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.936 -16.028 11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.656 -14.626 12.257 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.497 -14.068 10.603 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.222 -16.405 11.546 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.805 -14.824 11.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.898 -15.561 8.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.213 -15.770 8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.223 -17.053 9.449 1.00 0.00 H new ATOM 1353 N VAL A 81 -10.796 -14.440 11.749 1.00 0.00 N ATOM 1354 CA VAL A 81 -9.374 -14.472 12.027 1.00 0.00 C ATOM 1355 C VAL A 81 -8.973 -15.531 13.032 1.00 0.00 C ATOM 1356 O VAL A 81 -9.666 -15.817 14.010 1.00 0.00 O ATOM 1357 CB VAL A 81 -8.922 -13.077 12.453 1.00 0.00 C ATOM 1358 CG1 VAL A 81 -10.048 -12.255 13.122 1.00 0.00 C ATOM 1359 CG2 VAL A 81 -8.314 -12.369 11.238 1.00 0.00 C ATOM 0 H VAL A 81 -11.388 -14.448 12.580 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.861 -14.760 11.110 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.162 -13.174 13.228 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.665 -11.274 13.402 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.876 -12.135 12.423 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.398 -12.776 14.013 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.986 -11.370 11.526 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.460 -12.941 10.873 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.063 -12.292 10.450 1.00 0.00 H new ATOM 1369 N ASP A 82 -7.766 -16.117 12.770 1.00 0.00 N ATOM 1370 CA ASP A 82 -7.078 -17.130 13.582 1.00 0.00 C ATOM 1371 C ASP A 82 -5.565 -16.864 13.608 1.00 0.00 C ATOM 1372 O ASP A 82 -5.017 -16.274 12.674 1.00 0.00 O ATOM 1373 CB ASP A 82 -7.287 -18.577 13.036 1.00 0.00 C ATOM 1374 CG ASP A 82 -8.765 -18.973 13.093 1.00 0.00 C ATOM 1375 OD1 ASP A 82 -9.311 -19.061 14.225 1.00 0.00 O ATOM 1376 OD2 ASP A 82 -9.364 -19.192 12.007 1.00 0.00 O ATOM 0 H ASP A 82 -7.230 -15.871 11.937 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.509 -17.057 14.580 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.929 -18.638 12.008 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.695 -19.280 13.622 1.00 0.00 H new ATOM 1381 N GLU A 83 -4.829 -17.323 14.672 1.00 0.00 N ATOM 1382 CA GLU A 83 -3.374 -17.224 14.775 1.00 0.00 C ATOM 1383 C GLU A 83 -2.745 -18.579 15.098 1.00 0.00 C ATOM 1384 O GLU A 83 -3.253 -19.378 15.890 1.00 0.00 O ATOM 1385 CB GLU A 83 -2.875 -16.125 15.748 1.00 0.00 C ATOM 1386 CG GLU A 83 -1.363 -15.827 15.595 1.00 0.00 C ATOM 1387 CD GLU A 83 -0.927 -14.610 16.410 1.00 0.00 C ATOM 1388 OE1 GLU A 83 -1.725 -14.122 17.255 1.00 0.00 O ATOM 1389 OE2 GLU A 83 0.231 -14.158 16.200 1.00 0.00 O ATOM 0 H GLU A 83 -5.257 -17.774 15.480 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.038 -16.909 13.787 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.440 -15.209 15.575 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.077 -16.435 16.773 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.789 -16.698 15.912 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.133 -15.659 14.543 1.00 0.00 H new ATOM 1396 N THR A 84 -1.594 -18.820 14.416 1.00 0.00 N ATOM 1397 CA THR A 84 -0.728 -19.991 14.410 1.00 0.00 C ATOM 1398 C THR A 84 0.669 -19.608 14.799 1.00 0.00 C ATOM 1399 O THR A 84 0.985 -18.420 14.872 1.00 0.00 O ATOM 1400 CB THR A 84 -0.584 -20.566 12.965 1.00 0.00 C ATOM 1401 OG1 THR A 84 0.068 -19.722 12.019 1.00 0.00 O ATOM 1402 CG2 THR A 84 -1.953 -20.828 12.338 1.00 0.00 C ATOM 0 H THR A 84 -1.224 -18.105 13.790 1.00 0.00 H new ATOM 0 HA THR A 84 -1.174 -20.709 15.098 1.00 0.00 H new ATOM 0 HB THR A 84 0.017 -21.460 13.133 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.533 -19.551 11.265 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.822 -21.228 11.332 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.500 -21.548 12.946 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.514 -19.895 12.287 1.00 0.00 H new ATOM 1410 N PRO A 85 1.576 -20.594 14.948 1.00 0.00 N ATOM 1411 CA PRO A 85 2.994 -20.330 15.016 1.00 0.00 C ATOM 1412 C PRO A 85 3.704 -19.824 13.737 1.00 0.00 C ATOM 1413 O PRO A 85 4.905 -19.573 13.804 1.00 0.00 O ATOM 1414 CB PRO A 85 3.580 -21.662 15.505 1.00 0.00 C ATOM 1415 CG PRO A 85 2.414 -22.476 16.062 1.00 0.00 C ATOM 1416 CD PRO A 85 1.284 -22.020 15.162 1.00 0.00 C ATOM 0 HA PRO A 85 3.161 -19.475 15.671 1.00 0.00 H new ATOM 0 HB2 PRO A 85 4.068 -22.194 14.688 1.00 0.00 H new ATOM 0 HB3 PRO A 85 4.336 -21.494 16.272 1.00 0.00 H new ATOM 0 HG2 PRO A 85 2.590 -23.549 15.991 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.220 -22.254 17.111 1.00 0.00 H new ATOM 0 HD2 PRO A 85 1.270 -22.573 14.223 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.311 -22.165 15.632 1.00 0.00 H new ATOM 1424 N LYS A 86 3.007 -19.668 12.580 1.00 0.00 N ATOM 1425 CA LYS A 86 3.583 -19.209 11.329 1.00 0.00 C ATOM 1426 C LYS A 86 3.024 -17.840 10.905 1.00 0.00 C ATOM 1427 O LYS A 86 3.435 -17.261 9.899 1.00 0.00 O ATOM 1428 CB LYS A 86 3.364 -20.304 10.255 1.00 0.00 C ATOM 1429 CG LYS A 86 4.216 -20.143 8.985 1.00 0.00 C ATOM 1430 CD LYS A 86 4.290 -21.436 8.164 1.00 0.00 C ATOM 1431 CE LYS A 86 2.955 -21.853 7.530 1.00 0.00 C ATOM 1432 NZ LYS A 86 3.111 -23.099 6.742 1.00 0.00 N ATOM 0 H LYS A 86 2.009 -19.867 12.511 1.00 0.00 H new ATOM 0 HA LYS A 86 4.654 -19.051 11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.579 -21.276 10.699 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.312 -20.309 9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.798 -19.348 8.368 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.224 -19.834 9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.031 -21.311 7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.642 -22.242 8.807 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.208 -22.002 8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.588 -21.054 6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.196 -23.362 6.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.807 -22.946 5.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.439 -23.865 7.365 1.00 0.00 H new ATOM 1446 N GLY A 87 2.045 -17.285 11.675 1.00 0.00 N ATOM 1447 CA GLY A 87 1.425 -15.996 11.376 1.00 0.00 C ATOM 1448 C GLY A 87 -0.045 -15.938 11.632 1.00 0.00 C ATOM 1449 O GLY A 87 -0.639 -16.854 12.209 1.00 0.00 O ATOM 0 H GLY A 87 1.676 -17.731 12.515 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.915 -15.225 11.971 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.608 -15.754 10.329 1.00 0.00 H new ATOM 1453 N TRP A 88 -0.680 -14.841 11.119 1.00 0.00 N ATOM 1454 CA TRP A 88 -2.114 -14.575 11.138 1.00 0.00 C ATOM 1455 C TRP A 88 -2.749 -15.061 9.841 1.00 0.00 C ATOM 1456 O TRP A 88 -2.365 -14.700 8.731 1.00 0.00 O ATOM 1457 CB TRP A 88 -2.456 -13.069 11.365 1.00 0.00 C ATOM 1458 CG TRP A 88 -2.395 -12.655 12.817 1.00 0.00 C ATOM 1459 CD1 TRP A 88 -1.391 -12.102 13.543 1.00 0.00 C ATOM 1460 CD2 TRP A 88 -3.512 -12.767 13.702 1.00 0.00 C ATOM 1461 NE1 TRP A 88 -1.826 -11.850 14.827 1.00 0.00 N ATOM 1462 CE2 TRP A 88 -3.127 -12.285 14.938 1.00 0.00 C ATOM 1463 CE3 TRP A 88 -4.778 -13.178 13.475 1.00 0.00 C ATOM 1464 CZ2 TRP A 88 -4.031 -12.197 15.959 1.00 0.00 C ATOM 1465 CZ3 TRP A 88 -5.675 -13.121 14.523 1.00 0.00 C ATOM 1466 CH2 TRP A 88 -5.339 -12.527 15.717 1.00 0.00 C ATOM 0 H TRP A 88 -0.159 -14.093 10.662 1.00 0.00 H new ATOM 0 HA TRP A 88 -2.524 -15.122 11.987 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -1.763 -12.455 10.790 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.455 -12.868 10.979 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -0.399 -11.891 13.171 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -1.277 -11.415 15.568 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -5.080 -13.540 12.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.720 -11.873 16.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.659 -13.551 14.403 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.099 -12.323 16.457 1.00 0.00 H new ATOM 1477 N TYR A 89 -3.792 -15.906 9.992 1.00 0.00 N ATOM 1478 CA TYR A 89 -4.563 -16.518 8.932 1.00 0.00 C ATOM 1479 C TYR A 89 -5.920 -15.907 9.097 1.00 0.00 C ATOM 1480 O TYR A 89 -6.507 -15.916 10.179 1.00 0.00 O ATOM 1481 CB TYR A 89 -4.612 -18.073 9.059 1.00 0.00 C ATOM 1482 CG TYR A 89 -3.233 -18.564 8.720 1.00 0.00 C ATOM 1483 CD1 TYR A 89 -2.208 -18.484 9.641 1.00 0.00 C ATOM 1484 CD2 TYR A 89 -2.931 -18.924 7.424 1.00 0.00 C ATOM 1485 CE1 TYR A 89 -0.896 -18.634 9.247 1.00 0.00 C ATOM 1486 CE2 TYR A 89 -1.622 -19.112 7.026 1.00 0.00 C ATOM 1487 CZ TYR A 89 -0.594 -18.953 7.943 1.00 0.00 C ATOM 1488 OH TYR A 89 0.764 -19.099 7.580 1.00 0.00 O ATOM 0 H TYR A 89 -4.123 -16.183 10.916 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.132 -16.342 7.947 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.895 -18.373 10.068 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.354 -18.496 8.381 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.437 -18.302 10.681 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.729 -19.061 6.710 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.101 -18.500 9.965 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -1.400 -19.382 6.004 1.00 0.00 H new ATOM 0 HH TYR A 89 0.826 -19.326 6.629 1.00 0.00 H new ATOM 1498 N ILE A 90 -6.419 -15.330 8.002 1.00 0.00 N ATOM 1499 CA ILE A 90 -7.708 -14.705 7.893 1.00 0.00 C ATOM 1500 C ILE A 90 -8.481 -15.570 6.910 1.00 0.00 C ATOM 1501 O ILE A 90 -7.981 -15.971 5.862 1.00 0.00 O ATOM 1502 CB ILE A 90 -7.668 -13.213 7.480 1.00 0.00 C ATOM 1503 CG1 ILE A 90 -7.671 -12.892 5.962 1.00 0.00 C ATOM 1504 CG2 ILE A 90 -6.445 -12.520 8.114 1.00 0.00 C ATOM 1505 CD1 ILE A 90 -7.871 -11.406 5.664 1.00 0.00 C ATOM 0 H ILE A 90 -5.894 -15.292 7.128 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.191 -14.658 8.869 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.618 -12.832 7.853 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.728 -13.220 5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.463 -13.463 5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.427 -11.471 7.817 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.510 -12.589 9.200 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.532 -13.010 7.774 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.863 -11.247 4.586 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.827 -11.078 6.072 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.065 -10.832 6.121 1.00 0.00 H new ATOM 1517 N GLN A 91 -9.752 -15.857 7.186 1.00 0.00 N ATOM 1518 CA GLN A 91 -10.677 -16.478 6.280 1.00 0.00 C ATOM 1519 C GLN A 91 -11.706 -15.428 6.075 1.00 0.00 C ATOM 1520 O GLN A 91 -12.292 -14.962 7.032 1.00 0.00 O ATOM 1521 CB GLN A 91 -11.278 -17.804 6.794 1.00 0.00 C ATOM 1522 CG GLN A 91 -12.517 -18.259 5.985 1.00 0.00 C ATOM 1523 CD GLN A 91 -12.677 -19.773 6.020 1.00 0.00 C ATOM 1524 OE1 GLN A 91 -12.838 -20.386 7.079 1.00 0.00 O ATOM 1525 NE2 GLN A 91 -12.623 -20.406 4.816 1.00 0.00 N ATOM 0 H GLN A 91 -10.170 -15.648 8.093 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.188 -16.792 5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.517 -18.583 6.751 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.557 -17.689 7.841 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.412 -17.787 6.391 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.422 -17.925 4.952 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.489 -19.866 3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -12.717 -21.421 4.769 1.00 0.00 H new ATOM 1534 N TYR A 92 -11.953 -15.010 4.820 1.00 0.00 N ATOM 1535 CA TYR A 92 -12.941 -14.013 4.444 1.00 0.00 C ATOM 1536 C TYR A 92 -14.376 -14.580 4.548 1.00 0.00 C ATOM 1537 O TYR A 92 -14.603 -15.779 4.393 1.00 0.00 O ATOM 1538 CB TYR A 92 -12.454 -13.231 3.185 1.00 0.00 C ATOM 1539 CG TYR A 92 -13.473 -12.428 2.396 1.00 0.00 C ATOM 1540 CD1 TYR A 92 -14.286 -13.014 1.455 1.00 0.00 C ATOM 1541 CD2 TYR A 92 -13.673 -11.090 2.654 1.00 0.00 C ATOM 1542 CE1 TYR A 92 -15.316 -12.339 0.841 1.00 0.00 C ATOM 1543 CE2 TYR A 92 -14.724 -10.399 2.100 1.00 0.00 C ATOM 1544 CZ TYR A 92 -15.523 -11.014 1.153 1.00 0.00 C ATOM 1545 OH TYR A 92 -16.558 -10.331 0.505 1.00 0.00 O ATOM 0 H TYR A 92 -11.443 -15.379 4.017 1.00 0.00 H new ATOM 0 HA TYR A 92 -13.036 -13.195 5.158 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -11.666 -12.548 3.502 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -11.998 -13.949 2.504 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -14.109 -14.045 1.187 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.987 -10.571 3.308 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.952 -12.840 0.126 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -14.925 -9.382 2.402 1.00 0.00 H new ATOM 0 HH TYR A 92 -16.393 -9.366 0.552 1.00 0.00 H new ATOM 1555 N ILE A 93 -15.339 -13.703 4.906 1.00 0.00 N ATOM 1556 CA ILE A 93 -16.769 -13.825 5.114 1.00 0.00 C ATOM 1557 C ILE A 93 -17.395 -13.555 3.776 1.00 0.00 C ATOM 1558 O ILE A 93 -17.199 -12.471 3.235 1.00 0.00 O ATOM 1559 CB ILE A 93 -17.219 -12.738 6.122 1.00 0.00 C ATOM 1560 CG1 ILE A 93 -16.578 -13.078 7.494 1.00 0.00 C ATOM 1561 CG2 ILE A 93 -18.745 -12.449 6.082 1.00 0.00 C ATOM 1562 CD1 ILE A 93 -17.265 -12.597 8.768 1.00 0.00 C ATOM 0 H ILE A 93 -15.063 -12.737 5.080 1.00 0.00 H new ATOM 0 HA ILE A 93 -17.051 -14.803 5.503 1.00 0.00 H new ATOM 0 HB ILE A 93 -16.845 -11.753 5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -16.490 -14.163 7.557 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -15.565 -12.675 7.493 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -18.989 -11.678 6.813 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -19.024 -12.105 5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -19.294 -13.360 6.319 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -16.689 -12.918 9.636 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -17.330 -11.509 8.758 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -18.268 -13.020 8.822 1.00 0.00 H new ATOM 1574 N ASP A 94 -18.175 -14.493 3.162 1.00 0.00 N ATOM 1575 CA ASP A 94 -18.799 -14.233 1.859 1.00 0.00 C ATOM 1576 C ASP A 94 -20.039 -13.406 1.996 1.00 0.00 C ATOM 1577 O ASP A 94 -21.149 -13.902 2.167 1.00 0.00 O ATOM 1578 CB ASP A 94 -19.041 -15.403 0.851 1.00 0.00 C ATOM 1579 CG ASP A 94 -19.668 -16.687 1.413 1.00 0.00 C ATOM 1580 OD1 ASP A 94 -20.049 -16.729 2.611 1.00 0.00 O ATOM 1581 OD2 ASP A 94 -19.771 -17.661 0.618 1.00 0.00 O ATOM 0 H ASP A 94 -18.375 -15.414 3.551 1.00 0.00 H new ATOM 0 HA ASP A 94 -17.988 -13.691 1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -19.683 -15.034 0.051 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -18.085 -15.663 0.398 1.00 0.00 H new ATOM 1586 N ARG A 95 -19.791 -12.077 1.896 1.00 0.00 N ATOM 1587 CA ARG A 95 -20.656 -10.912 1.901 1.00 0.00 C ATOM 1588 C ARG A 95 -21.956 -11.086 1.124 1.00 0.00 C ATOM 1589 O ARG A 95 -22.969 -11.527 1.658 1.00 0.00 O ATOM 1590 CB ARG A 95 -19.757 -9.771 1.436 1.00 0.00 C ATOM 1591 CG ARG A 95 -18.745 -9.395 2.540 1.00 0.00 C ATOM 1592 CD ARG A 95 -19.229 -8.224 3.403 1.00 0.00 C ATOM 1593 NE ARG A 95 -20.379 -8.635 4.280 1.00 0.00 N ATOM 1594 CZ ARG A 95 -20.883 -7.836 5.272 1.00 0.00 C ATOM 1595 NH1 ARG A 95 -20.350 -6.605 5.520 1.00 0.00 N ATOM 1596 NH2 ARG A 95 -21.929 -8.284 6.028 1.00 0.00 N ATOM 0 H ARG A 95 -18.822 -11.773 1.795 1.00 0.00 H new ATOM 0 HA ARG A 95 -21.059 -10.707 2.893 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -19.225 -10.065 0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -20.364 -8.903 1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -18.567 -10.262 3.176 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -17.791 -9.135 2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -18.408 -7.861 4.021 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -19.535 -7.398 2.761 1.00 0.00 H new ATOM 0 HE ARG A 95 -20.803 -9.550 4.129 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -19.565 -6.268 4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -20.737 -6.022 6.262 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -22.328 -9.206 5.851 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -22.311 -7.696 6.769 1.00 0.00 H new ATOM 1610 N ASP A 96 -21.925 -10.837 -0.193 1.00 0.00 N ATOM 1611 CA ASP A 96 -22.927 -11.348 -1.121 1.00 0.00 C ATOM 1612 C ASP A 96 -22.262 -12.533 -1.838 1.00 0.00 C ATOM 1613 O ASP A 96 -21.449 -12.195 -2.691 1.00 0.00 O ATOM 1614 CB ASP A 96 -23.414 -10.233 -2.088 1.00 0.00 C ATOM 1615 CG ASP A 96 -24.508 -10.659 -3.075 1.00 0.00 C ATOM 1616 OD1 ASP A 96 -25.525 -11.250 -2.625 1.00 0.00 O ATOM 1617 OD2 ASP A 96 -24.336 -10.386 -4.294 1.00 0.00 O ATOM 0 H ASP A 96 -21.201 -10.274 -0.639 1.00 0.00 H new ATOM 0 HA ASP A 96 -23.832 -11.681 -0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -23.786 -9.397 -1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -22.558 -9.866 -2.655 1.00 0.00 H new ATOM 1622 N PRO A 97 -22.461 -13.874 -1.637 1.00 0.00 N ATOM 1623 CA PRO A 97 -21.761 -14.993 -2.311 1.00 0.00 C ATOM 1624 C PRO A 97 -21.811 -15.024 -3.830 1.00 0.00 C ATOM 1625 O PRO A 97 -20.860 -15.494 -4.454 1.00 0.00 O ATOM 1626 CB PRO A 97 -22.392 -16.260 -1.744 1.00 0.00 C ATOM 1627 CG PRO A 97 -22.801 -15.827 -0.339 1.00 0.00 C ATOM 1628 CD PRO A 97 -23.223 -14.360 -0.505 1.00 0.00 C ATOM 0 HA PRO A 97 -20.695 -14.881 -2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -23.249 -16.585 -2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -21.686 -17.090 -1.723 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -23.620 -16.436 0.043 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -21.975 -15.927 0.365 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -24.295 -14.276 -0.686 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -23.005 -13.783 0.394 1.00 0.00 H new ATOM 1636 N GLU A 98 -22.866 -14.396 -4.433 1.00 0.00 N ATOM 1637 CA GLU A 98 -23.019 -14.070 -5.846 1.00 0.00 C ATOM 1638 C GLU A 98 -21.911 -13.125 -6.285 1.00 0.00 C ATOM 1639 O GLU A 98 -21.330 -13.292 -7.336 1.00 0.00 O ATOM 1640 CB GLU A 98 -24.400 -13.445 -6.131 1.00 0.00 C ATOM 1641 CG GLU A 98 -25.570 -14.382 -5.766 1.00 0.00 C ATOM 1642 CD GLU A 98 -26.921 -13.728 -6.068 1.00 0.00 C ATOM 1643 OE1 GLU A 98 -27.957 -14.403 -5.819 1.00 0.00 O ATOM 1644 OE2 GLU A 98 -26.947 -12.563 -6.545 1.00 0.00 O ATOM 0 H GLU A 98 -23.674 -14.093 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 98 -22.948 -14.996 -6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -24.496 -12.516 -5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -24.465 -13.186 -7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -25.481 -15.313 -6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -25.516 -14.639 -4.708 1.00 0.00 H new ATOM 1651 N THR A 99 -21.454 -12.183 -5.406 1.00 0.00 N ATOM 1652 CA THR A 99 -20.268 -11.345 -5.638 1.00 0.00 C ATOM 1653 C THR A 99 -18.972 -12.157 -5.625 1.00 0.00 C ATOM 1654 O THR A 99 -18.173 -11.980 -6.519 1.00 0.00 O ATOM 1655 CB THR A 99 -20.215 -10.054 -4.785 1.00 0.00 C ATOM 1656 OG1 THR A 99 -19.905 -8.912 -5.575 1.00 0.00 O ATOM 1657 CG2 THR A 99 -19.214 -10.051 -3.619 1.00 0.00 C ATOM 0 H THR A 99 -21.912 -11.994 -4.514 1.00 0.00 H new ATOM 0 HA THR A 99 -20.375 -10.967 -6.655 1.00 0.00 H new ATOM 0 HB THR A 99 -21.221 -10.019 -4.366 1.00 0.00 H new ATOM 0 HG1 THR A 99 -18.935 -8.853 -5.698 1.00 0.00 H new ATOM 0 HG21 THR A 99 -19.268 -9.096 -3.096 1.00 0.00 H new ATOM 0 HG22 THR A 99 -19.458 -10.858 -2.928 1.00 0.00 H new ATOM 0 HG23 THR A 99 -18.205 -10.197 -4.005 1.00 0.00 H new ATOM 1665 N ILE A 100 -18.749 -13.146 -4.704 1.00 0.00 N ATOM 1666 CA ILE A 100 -17.594 -14.052 -4.664 1.00 0.00 C ATOM 1667 C ILE A 100 -17.567 -14.993 -5.882 1.00 0.00 C ATOM 1668 O ILE A 100 -16.580 -15.031 -6.605 1.00 0.00 O ATOM 1669 CB ILE A 100 -17.698 -14.852 -3.365 1.00 0.00 C ATOM 1670 CG1 ILE A 100 -17.286 -14.002 -2.140 1.00 0.00 C ATOM 1671 CG2 ILE A 100 -16.769 -16.091 -3.348 1.00 0.00 C ATOM 1672 CD1 ILE A 100 -18.107 -12.770 -1.765 1.00 0.00 C ATOM 0 H ILE A 100 -19.407 -13.327 -3.945 1.00 0.00 H new ATOM 0 HA ILE A 100 -16.667 -13.479 -4.698 1.00 0.00 H new ATOM 0 HB ILE A 100 -18.743 -15.157 -3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -17.276 -14.663 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -16.260 -13.673 -2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -16.885 -16.620 -2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.034 -16.756 -4.170 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.733 -15.771 -3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -17.673 -12.299 -0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -18.101 -12.063 -2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -19.133 -13.068 -1.550 1.00 0.00 H new ATOM 1684 N ARG A 101 -18.688 -15.695 -6.219 1.00 0.00 N ATOM 1685 CA ARG A 101 -18.825 -16.585 -7.380 1.00 0.00 C ATOM 1686 C ARG A 101 -18.825 -15.862 -8.729 1.00 0.00 C ATOM 1687 O ARG A 101 -18.354 -16.395 -9.733 1.00 0.00 O ATOM 1688 CB ARG A 101 -20.075 -17.491 -7.245 1.00 0.00 C ATOM 1689 CG ARG A 101 -20.011 -18.432 -6.020 1.00 0.00 C ATOM 1690 CD ARG A 101 -21.086 -19.530 -6.024 1.00 0.00 C ATOM 1691 NE ARG A 101 -20.838 -20.452 -7.189 1.00 0.00 N ATOM 1692 CZ ARG A 101 -21.662 -21.496 -7.514 1.00 0.00 C ATOM 1693 NH1 ARG A 101 -22.779 -21.763 -6.776 1.00 0.00 N ATOM 1694 NH2 ARG A 101 -21.360 -22.278 -8.590 1.00 0.00 N ATOM 0 H ARG A 101 -19.542 -15.646 -5.663 1.00 0.00 H new ATOM 0 HA ARG A 101 -17.929 -17.205 -7.375 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -20.964 -16.865 -7.169 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -20.183 -18.089 -8.150 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -19.027 -18.900 -5.984 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -20.115 -17.838 -5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -21.057 -20.089 -5.089 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -22.078 -19.086 -6.100 1.00 0.00 H new ATOM 0 HE ARG A 101 -20.013 -20.290 -7.766 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -23.009 -21.181 -5.970 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -23.384 -22.544 -7.030 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -20.526 -22.083 -9.144 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -21.968 -23.058 -8.840 1.00 0.00 H new ATOM 1708 N ARG A 102 -19.278 -14.568 -8.760 1.00 0.00 N ATOM 1709 CA ARG A 102 -19.186 -13.679 -9.924 1.00 0.00 C ATOM 1710 C ARG A 102 -17.785 -13.131 -10.064 1.00 0.00 C ATOM 1711 O ARG A 102 -17.277 -13.056 -11.185 1.00 0.00 O ATOM 1712 CB ARG A 102 -20.203 -12.527 -9.985 1.00 0.00 C ATOM 1713 CG ARG A 102 -21.602 -13.101 -10.244 1.00 0.00 C ATOM 1714 CD ARG A 102 -22.715 -12.065 -10.365 1.00 0.00 C ATOM 1715 NE ARG A 102 -22.711 -11.177 -9.148 1.00 0.00 N ATOM 1716 CZ ARG A 102 -23.778 -10.416 -8.756 1.00 0.00 C ATOM 1717 NH1 ARG A 102 -24.931 -10.391 -9.484 1.00 0.00 N ATOM 1718 NH2 ARG A 102 -23.685 -9.679 -7.610 1.00 0.00 N ATOM 0 H ARG A 102 -19.721 -14.125 -7.955 1.00 0.00 H new ATOM 0 HA ARG A 102 -19.445 -14.323 -10.765 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -20.194 -11.968 -9.049 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -19.932 -11.828 -10.776 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -21.572 -13.688 -11.162 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -21.852 -13.787 -9.434 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -22.573 -11.467 -11.265 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -23.680 -12.562 -10.462 1.00 0.00 H new ATOM 0 HE ARG A 102 -21.863 -11.141 -8.583 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -25.008 -10.946 -10.336 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -25.716 -9.817 -9.176 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -22.828 -9.700 -7.058 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -24.473 -9.107 -7.306 1.00 0.00 H new ATOM 1732 N GLN A 103 -17.122 -12.806 -8.904 1.00 0.00 N ATOM 1733 CA GLN A 103 -15.739 -12.344 -8.808 1.00 0.00 C ATOM 1734 C GLN A 103 -14.691 -13.333 -9.312 1.00 0.00 C ATOM 1735 O GLN A 103 -13.693 -12.929 -9.894 1.00 0.00 O ATOM 1736 CB GLN A 103 -15.409 -11.638 -7.461 1.00 0.00 C ATOM 1737 CG GLN A 103 -16.078 -10.235 -7.510 1.00 0.00 C ATOM 1738 CD GLN A 103 -16.118 -9.360 -6.252 1.00 0.00 C ATOM 1739 OE1 GLN A 103 -17.167 -8.950 -5.735 1.00 0.00 O ATOM 1740 NE2 GLN A 103 -14.906 -8.978 -5.782 1.00 0.00 N ATOM 0 H GLN A 103 -17.574 -12.869 -7.992 1.00 0.00 H new ATOM 0 HA GLN A 103 -15.664 -11.544 -9.544 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -15.788 -12.217 -6.619 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.331 -11.547 -7.327 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -15.573 -9.662 -8.287 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -17.108 -10.378 -7.838 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -14.055 -9.327 -6.222 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -14.845 -8.341 -4.988 1.00 0.00 H new ATOM 1749 N LEU A 104 -14.915 -14.659 -9.130 1.00 0.00 N ATOM 1750 CA LEU A 104 -14.071 -15.719 -9.678 1.00 0.00 C ATOM 1751 C LEU A 104 -14.383 -16.072 -11.138 1.00 0.00 C ATOM 1752 O LEU A 104 -13.503 -16.124 -11.990 1.00 0.00 O ATOM 1753 CB LEU A 104 -14.050 -17.071 -8.888 1.00 0.00 C ATOM 1754 CG LEU A 104 -14.539 -17.091 -7.436 1.00 0.00 C ATOM 1755 CD1 LEU A 104 -14.424 -18.504 -6.835 1.00 0.00 C ATOM 1756 CD2 LEU A 104 -13.820 -16.084 -6.541 1.00 0.00 C ATOM 0 H LEU A 104 -15.703 -15.014 -8.588 1.00 0.00 H new ATOM 0 HA LEU A 104 -13.092 -15.249 -9.586 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.651 -17.788 -9.447 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -13.024 -17.440 -8.895 1.00 0.00 H new ATOM 0 HG LEU A 104 -15.587 -16.794 -7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -14.777 -18.491 -5.804 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -15.030 -19.198 -7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.383 -18.825 -6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.215 -16.151 -5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -12.753 -16.304 -6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -13.979 -15.077 -6.926 1.00 0.00 H new ATOM 1768 N GLU A 105 -15.665 -16.461 -11.401 1.00 0.00 N ATOM 1769 CA GLU A 105 -16.122 -17.048 -12.660 1.00 0.00 C ATOM 1770 C GLU A 105 -16.493 -16.135 -13.842 1.00 0.00 C ATOM 1771 O GLU A 105 -15.943 -16.277 -14.928 1.00 0.00 O ATOM 1772 CB GLU A 105 -17.305 -18.021 -12.364 1.00 0.00 C ATOM 1773 CG GLU A 105 -17.052 -19.005 -11.197 1.00 0.00 C ATOM 1774 CD GLU A 105 -18.222 -19.986 -11.094 1.00 0.00 C ATOM 1775 OE1 GLU A 105 -18.430 -20.767 -12.060 1.00 0.00 O ATOM 1776 OE2 GLU A 105 -18.923 -19.966 -10.045 1.00 0.00 O ATOM 0 H GLU A 105 -16.414 -16.365 -10.715 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.220 -17.535 -13.031 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -18.195 -17.433 -12.140 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -17.521 -18.595 -13.265 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -16.121 -19.548 -11.361 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -16.940 -18.456 -10.262 1.00 0.00 H new