ATOM 10 N VAL A 2 -0.205 3.765 7.158 1.00 0.00 N ATOM 11 CA VAL A 2 0.744 4.706 6.483 1.00 0.00 C ATOM 12 C VAL A 2 0.409 4.704 4.984 1.00 0.00 C ATOM 13 O VAL A 2 0.050 3.671 4.449 1.00 0.00 O ATOM 14 CB VAL A 2 2.204 4.222 6.680 1.00 0.00 C ATOM 15 CG1 VAL A 2 3.204 5.336 6.276 1.00 0.00 C ATOM 16 CG2 VAL A 2 2.468 3.781 8.135 1.00 0.00 C ATOM 17 H VAL A 2 -0.016 2.802 7.121 1.00 0.00 H ATOM 18 HA VAL A 2 0.612 5.703 6.880 1.00 0.00 H ATOM 19 HB VAL A 2 2.364 3.385 6.017 1.00 0.00 H ATOM 20 HG11 VAL A 2 3.054 6.227 6.868 1.00 0.00 H ATOM 21 HG12 VAL A 2 4.217 4.994 6.427 1.00 0.00 H ATOM 22 HG13 VAL A 2 3.088 5.585 5.229 1.00 0.00 H ATOM 23 HG21 VAL A 2 2.295 4.599 8.820 1.00 0.00 H ATOM 24 HG22 VAL A 2 1.832 2.954 8.415 1.00 0.00 H ATOM 25 HG23 VAL A 2 3.495 3.460 8.239 1.00 0.00 H ATOM 26 N SER A 3 0.525 5.835 4.347 1.00 0.00 N ATOM 27 CA SER A 3 0.221 5.897 2.887 1.00 0.00 C ATOM 28 C SER A 3 1.482 5.368 2.186 1.00 0.00 C ATOM 29 O SER A 3 2.528 5.311 2.806 1.00 0.00 O ATOM 30 CB SER A 3 -0.030 7.355 2.439 1.00 0.00 C ATOM 31 OG SER A 3 -0.774 7.960 3.490 1.00 0.00 O ATOM 32 H SER A 3 0.809 6.646 4.807 1.00 0.00 H ATOM 33 HA SER A 3 -0.619 5.253 2.675 1.00 0.00 H ATOM 34 HB2 SER A 3 0.889 7.899 2.280 1.00 0.00 H ATOM 35 HB3 SER A 3 -0.619 7.371 1.534 1.00 0.00 H ATOM 36 HG SER A 3 -0.555 8.898 3.532 1.00 0.00 H ATOM 37 N CYS A 4 1.362 5.009 0.938 1.00 0.00 N ATOM 38 CA CYS A 4 2.532 4.484 0.162 1.00 0.00 C ATOM 39 C CYS A 4 2.422 4.967 -1.286 1.00 0.00 C ATOM 40 O CYS A 4 1.391 5.467 -1.688 1.00 0.00 O ATOM 41 CB CYS A 4 2.558 2.954 0.131 1.00 0.00 C ATOM 42 SG CYS A 4 3.857 2.298 -0.946 1.00 0.00 S ATOM 43 H CYS A 4 0.491 5.090 0.491 1.00 0.00 H ATOM 44 HA CYS A 4 3.448 4.873 0.586 1.00 0.00 H ATOM 45 HB2 CYS A 4 2.726 2.584 1.132 1.00 0.00 H ATOM 46 HB3 CYS A 4 1.608 2.575 -0.216 1.00 0.00 H ATOM 47 N LEU A 5 3.463 4.803 -2.048 1.00 0.00 N ATOM 48 CA LEU A 5 3.468 5.236 -3.465 1.00 0.00 C ATOM 49 C LEU A 5 3.698 3.992 -4.321 1.00 0.00 C ATOM 50 O LEU A 5 4.624 3.251 -4.051 1.00 0.00 O ATOM 51 CB LEU A 5 4.604 6.284 -3.611 1.00 0.00 C ATOM 52 CG LEU A 5 5.149 6.319 -5.050 1.00 0.00 C ATOM 53 CD1 LEU A 5 4.052 6.721 -6.042 1.00 0.00 C ATOM 54 CD2 LEU A 5 6.282 7.336 -5.164 1.00 0.00 C ATOM 55 H LEU A 5 4.278 4.370 -1.709 1.00 0.00 H ATOM 56 HA LEU A 5 2.511 5.668 -3.723 1.00 0.00 H ATOM 57 HB2 LEU A 5 4.231 7.259 -3.344 1.00 0.00 H ATOM 58 HB3 LEU A 5 5.411 6.032 -2.937 1.00 0.00 H ATOM 59 HG LEU A 5 5.528 5.329 -5.258 1.00 0.00 H ATOM 60 HD11 LEU A 5 3.235 6.023 -6.005 1.00 0.00 H ATOM 61 HD12 LEU A 5 3.671 7.705 -5.813 1.00 0.00 H ATOM 62 HD13 LEU A 5 4.441 6.729 -7.051 1.00 0.00 H ATOM 63 HD21 LEU A 5 7.093 7.077 -4.502 1.00 0.00 H ATOM 64 HD22 LEU A 5 6.656 7.350 -6.179 1.00 0.00 H ATOM 65 HD23 LEU A 5 5.920 8.323 -4.914 1.00 0.00 H ATOM 66 N CYS A 6 2.876 3.783 -5.320 1.00 0.00 N ATOM 67 CA CYS A 6 3.044 2.591 -6.204 1.00 0.00 C ATOM 68 C CYS A 6 3.804 2.968 -7.482 1.00 0.00 C ATOM 69 O CYS A 6 3.731 4.084 -7.953 1.00 0.00 O ATOM 70 CB CYS A 6 1.701 2.059 -6.588 1.00 0.00 C ATOM 71 SG CYS A 6 0.630 1.547 -5.230 1.00 0.00 S ATOM 72 H CYS A 6 2.138 4.410 -5.501 1.00 0.00 H ATOM 73 HA CYS A 6 3.577 1.827 -5.665 1.00 0.00 H ATOM 74 HB2 CYS A 6 1.187 2.803 -7.173 1.00 0.00 H ATOM 75 HB3 CYS A 6 1.864 1.212 -7.236 1.00 0.00 H ATOM 76 N ASP A 7 4.517 2.030 -8.045 1.00 0.00 N ATOM 77 CA ASP A 7 5.291 2.328 -9.304 1.00 0.00 C ATOM 78 C ASP A 7 4.408 2.767 -10.482 1.00 0.00 C ATOM 79 O ASP A 7 4.868 3.310 -11.466 1.00 0.00 O ATOM 80 CB ASP A 7 6.089 1.067 -9.677 1.00 0.00 C ATOM 81 CG ASP A 7 7.088 0.783 -8.558 1.00 0.00 C ATOM 82 OD1 ASP A 7 7.902 1.643 -8.274 1.00 0.00 O ATOM 83 OD2 ASP A 7 7.027 -0.283 -7.975 1.00 0.00 O ATOM 84 H ASP A 7 4.557 1.127 -7.658 1.00 0.00 H ATOM 85 HA ASP A 7 5.970 3.140 -9.094 1.00 0.00 H ATOM 86 HB2 ASP A 7 5.433 0.219 -9.807 1.00 0.00 H ATOM 87 HB3 ASP A 7 6.626 1.242 -10.595 1.00 0.00 H ATOM 237 N SER A 19 -0.438 7.829 -2.690 1.00 0.00 N ATOM 238 CA SER A 19 -1.918 7.650 -2.497 1.00 0.00 C ATOM 239 C SER A 19 -2.241 6.172 -2.196 1.00 0.00 C ATOM 240 O SER A 19 -3.390 5.783 -2.115 1.00 0.00 O ATOM 241 CB SER A 19 -2.625 8.136 -3.792 1.00 0.00 C ATOM 242 OG SER A 19 -4.025 7.917 -3.628 1.00 0.00 O ATOM 243 H SER A 19 0.051 7.227 -3.289 1.00 0.00 H ATOM 244 HA SER A 19 -2.241 8.248 -1.656 1.00 0.00 H ATOM 245 HB2 SER A 19 -2.458 9.196 -3.937 1.00 0.00 H ATOM 246 HB3 SER A 19 -2.273 7.593 -4.657 1.00 0.00 H ATOM 247 HG SER A 19 -4.180 7.123 -3.088 1.00 0.00 H ATOM 248 N GLY A 20 -1.212 5.386 -2.052 1.00 0.00 N ATOM 249 CA GLY A 20 -1.355 3.951 -1.756 1.00 0.00 C ATOM 250 C GLY A 20 -1.282 3.818 -0.245 1.00 0.00 C ATOM 251 O GLY A 20 -1.367 4.805 0.465 1.00 0.00 O ATOM 252 H GLY A 20 -0.310 5.708 -2.126 1.00 0.00 H ATOM 253 HA2 GLY A 20 -2.313 3.652 -2.108 1.00 0.00 H ATOM 254 HA3 GLY A 20 -0.561 3.384 -2.220 1.00 0.00 H ATOM 255 N THR A 21 -1.112 2.640 0.272 1.00 0.00 N ATOM 256 CA THR A 21 -1.042 2.481 1.725 1.00 0.00 C ATOM 257 C THR A 21 -0.151 1.296 1.931 1.00 0.00 C ATOM 258 O THR A 21 0.042 0.454 1.081 1.00 0.00 O ATOM 259 CB THR A 21 -2.445 2.210 2.289 1.00 0.00 C ATOM 260 OG1 THR A 21 -3.232 3.346 1.961 1.00 0.00 O ATOM 261 CG2 THR A 21 -2.528 2.172 3.827 1.00 0.00 C ATOM 262 H THR A 21 -1.010 1.808 -0.230 1.00 0.00 H ATOM 263 HA THR A 21 -0.565 3.339 2.141 1.00 0.00 H ATOM 264 HB THR A 21 -2.852 1.319 1.852 1.00 0.00 H ATOM 265 HG1 THR A 21 -2.709 4.025 1.511 1.00 0.00 H ATOM 266 HG21 THR A 21 -1.896 1.397 4.238 1.00 0.00 H ATOM 267 HG22 THR A 21 -2.237 3.125 4.237 1.00 0.00 H ATOM 268 HG23 THR A 21 -3.547 1.969 4.125 1.00 0.00 H ATOM 269 N LEU A 22 0.382 1.296 3.090 1.00 0.00 N ATOM 270 CA LEU A 22 1.294 0.211 3.514 1.00 0.00 C ATOM 271 C LEU A 22 0.587 -0.571 4.607 1.00 0.00 C ATOM 272 O LEU A 22 -0.098 -0.041 5.465 1.00 0.00 O ATOM 273 CB LEU A 22 2.603 0.836 4.001 1.00 0.00 C ATOM 274 CG LEU A 22 3.631 -0.198 4.585 1.00 0.00 C ATOM 275 CD1 LEU A 22 4.885 -0.228 3.671 1.00 0.00 C ATOM 276 CD2 LEU A 22 4.067 0.258 5.983 1.00 0.00 C ATOM 277 H LEU A 22 0.140 2.058 3.644 1.00 0.00 H ATOM 278 HA LEU A 22 1.479 -0.433 2.671 1.00 0.00 H ATOM 279 HB2 LEU A 22 3.024 1.215 3.092 1.00 0.00 H ATOM 280 HB3 LEU A 22 2.404 1.657 4.663 1.00 0.00 H ATOM 281 HG LEU A 22 3.217 -1.194 4.647 1.00 0.00 H ATOM 282 HD11 LEU A 22 5.331 0.757 3.631 1.00 0.00 H ATOM 283 HD12 LEU A 22 5.618 -0.923 4.053 1.00 0.00 H ATOM 284 HD13 LEU A 22 4.618 -0.521 2.665 1.00 0.00 H ATOM 285 HD21 LEU A 22 3.199 0.358 6.616 1.00 0.00 H ATOM 286 HD22 LEU A 22 4.741 -0.463 6.424 1.00 0.00 H ATOM 287 HD23 LEU A 22 4.570 1.213 5.932 1.00 0.00 H ATOM 288 N TRP A 23 0.823 -1.836 4.492 1.00 0.00 N ATOM 289 CA TRP A 23 0.269 -2.853 5.404 1.00 0.00 C ATOM 290 C TRP A 23 1.452 -3.423 6.170 1.00 0.00 C ATOM 291 O TRP A 23 2.459 -3.807 5.608 1.00 0.00 O ATOM 292 CB TRP A 23 -0.474 -3.908 4.527 1.00 0.00 C ATOM 293 CG TRP A 23 -1.828 -3.270 4.160 1.00 0.00 C ATOM 294 CD1 TRP A 23 -2.171 -2.623 3.003 1.00 0.00 C ATOM 295 CD2 TRP A 23 -2.875 -3.235 5.001 1.00 0.00 C ATOM 296 NE1 TRP A 23 -3.412 -2.232 3.226 1.00 0.00 N ATOM 297 CE2 TRP A 23 -3.926 -2.549 4.398 1.00 0.00 C ATOM 298 CE3 TRP A 23 -3.018 -3.749 6.292 1.00 0.00 C ATOM 299 CZ2 TRP A 23 -5.122 -2.362 5.074 1.00 0.00 C ATOM 300 CZ3 TRP A 23 -4.226 -3.549 6.960 1.00 0.00 C ATOM 301 CH2 TRP A 23 -5.270 -2.860 6.356 1.00 0.00 C ATOM 302 H TRP A 23 1.415 -2.105 3.761 1.00 0.00 H ATOM 303 HA TRP A 23 -0.412 -2.373 6.094 1.00 0.00 H ATOM 304 HB2 TRP A 23 0.076 -4.111 3.620 1.00 0.00 H ATOM 305 HB3 TRP A 23 -0.641 -4.835 5.057 1.00 0.00 H ATOM 306 HD1 TRP A 23 -1.585 -2.465 2.116 1.00 0.00 H ATOM 307 HE1 TRP A 23 -3.942 -1.729 2.562 1.00 0.00 H ATOM 308 HE3 TRP A 23 -2.218 -4.319 6.762 1.00 0.00 H ATOM 309 HZ2 TRP A 23 -5.937 -1.833 4.603 1.00 0.00 H ATOM 310 HZ3 TRP A 23 -4.357 -3.919 7.959 1.00 0.00 H ATOM 311 HH2 TRP A 23 -6.197 -2.707 6.886 1.00 0.00 H ATOM 312 N LEU A 24 1.281 -3.470 7.461 1.00 0.00 N ATOM 313 CA LEU A 24 2.355 -3.998 8.358 1.00 0.00 C ATOM 314 C LEU A 24 2.177 -5.504 8.491 1.00 0.00 C ATOM 315 O LEU A 24 3.030 -6.221 8.971 1.00 0.00 O ATOM 316 CB LEU A 24 2.231 -3.348 9.739 1.00 0.00 C ATOM 317 CG LEU A 24 1.828 -1.869 9.619 1.00 0.00 C ATOM 318 CD1 LEU A 24 1.746 -1.257 11.030 1.00 0.00 C ATOM 319 CD2 LEU A 24 2.853 -1.087 8.783 1.00 0.00 C ATOM 320 H LEU A 24 0.447 -3.142 7.837 1.00 0.00 H ATOM 321 HA LEU A 24 3.309 -3.791 7.913 1.00 0.00 H ATOM 322 HB2 LEU A 24 1.514 -3.889 10.342 1.00 0.00 H ATOM 323 HB3 LEU A 24 3.192 -3.419 10.219 1.00 0.00 H ATOM 324 HG LEU A 24 0.862 -1.847 9.137 1.00 0.00 H ATOM 325 HD11 LEU A 24 2.699 -1.344 11.535 1.00 0.00 H ATOM 326 HD12 LEU A 24 1.487 -0.210 10.973 1.00 0.00 H ATOM 327 HD13 LEU A 24 0.997 -1.766 11.619 1.00 0.00 H ATOM 328 HD21 LEU A 24 3.833 -1.143 9.234 1.00 0.00 H ATOM 329 HD22 LEU A 24 2.910 -1.492 7.784 1.00 0.00 H ATOM 330 HD23 LEU A 24 2.568 -0.048 8.710 1.00 0.00 H ATOM 331 N TYR A 25 1.019 -5.891 8.039 1.00 0.00 N ATOM 332 CA TYR A 25 0.592 -7.320 8.044 1.00 0.00 C ATOM 333 C TYR A 25 1.647 -8.106 7.267 1.00 0.00 C ATOM 334 O TYR A 25 2.150 -7.611 6.278 1.00 0.00 O ATOM 335 CB TYR A 25 -0.766 -7.435 7.348 1.00 0.00 C ATOM 336 CG TYR A 25 -1.910 -6.781 8.140 1.00 0.00 C ATOM 337 CD1 TYR A 25 -1.718 -6.036 9.293 1.00 0.00 C ATOM 338 CD2 TYR A 25 -3.196 -6.960 7.677 1.00 0.00 C ATOM 339 CE1 TYR A 25 -2.796 -5.492 9.951 1.00 0.00 C ATOM 340 CE2 TYR A 25 -4.273 -6.416 8.338 1.00 0.00 C ATOM 341 CZ TYR A 25 -4.075 -5.672 9.487 1.00 0.00 C ATOM 342 OH TYR A 25 -5.108 -5.086 10.183 1.00 0.00 O ATOM 343 H TYR A 25 0.436 -5.189 7.691 1.00 0.00 H ATOM 344 HA TYR A 25 0.558 -7.672 9.066 1.00 0.00 H ATOM 345 HB2 TYR A 25 -0.670 -7.013 6.358 1.00 0.00 H ATOM 346 HB3 TYR A 25 -1.058 -8.446 7.187 1.00 0.00 H ATOM 347 HD1 TYR A 25 -0.730 -5.872 9.697 1.00 0.00 H ATOM 348 HD2 TYR A 25 -3.362 -7.538 6.780 1.00 0.00 H ATOM 349 HE1 TYR A 25 -2.643 -4.915 10.847 1.00 0.00 H ATOM 350 HE2 TYR A 25 -5.266 -6.581 7.938 1.00 0.00 H ATOM 351 HH TYR A 25 -5.883 -5.648 10.098 1.00 0.00 H ATOM 352 N PRO A 26 1.959 -9.302 7.693 1.00 0.00 N ATOM 353 CA PRO A 26 3.208 -9.967 7.254 1.00 0.00 C ATOM 354 C PRO A 26 3.259 -10.244 5.759 1.00 0.00 C ATOM 355 O PRO A 26 4.311 -10.477 5.196 1.00 0.00 O ATOM 356 CB PRO A 26 3.266 -11.227 8.127 1.00 0.00 C ATOM 357 CG PRO A 26 1.767 -11.543 8.387 1.00 0.00 C ATOM 358 CD PRO A 26 1.155 -10.147 8.627 1.00 0.00 C ATOM 359 HA PRO A 26 4.008 -9.291 7.461 1.00 0.00 H ATOM 360 HB2 PRO A 26 3.751 -12.038 7.601 1.00 0.00 H ATOM 361 HB3 PRO A 26 3.793 -11.030 9.051 1.00 0.00 H ATOM 362 HG2 PRO A 26 1.314 -12.021 7.529 1.00 0.00 H ATOM 363 HG3 PRO A 26 1.643 -12.170 9.260 1.00 0.00 H ATOM 364 HD2 PRO A 26 0.107 -10.117 8.361 1.00 0.00 H ATOM 365 HD3 PRO A 26 1.299 -9.813 9.645 1.00 0.00 H ATOM 366 N SER A 27 2.102 -10.184 5.176 1.00 0.00 N ATOM 367 CA SER A 27 1.955 -10.438 3.708 1.00 0.00 C ATOM 368 C SER A 27 1.525 -9.195 2.932 1.00 0.00 C ATOM 369 O SER A 27 1.241 -9.235 1.748 1.00 0.00 O ATOM 370 CB SER A 27 0.935 -11.548 3.536 1.00 0.00 C ATOM 371 OG SER A 27 -0.185 -11.110 4.306 1.00 0.00 O ATOM 372 H SER A 27 1.325 -9.952 5.733 1.00 0.00 H ATOM 373 HA SER A 27 2.902 -10.768 3.306 1.00 0.00 H ATOM 374 HB2 SER A 27 0.698 -11.641 2.486 1.00 0.00 H ATOM 375 HB3 SER A 27 1.306 -12.487 3.920 1.00 0.00 H ATOM 376 HG SER A 27 -0.918 -10.901 3.713 1.00 0.00 H ATOM 377 N GLY A 28 1.484 -8.103 3.633 1.00 0.00 N ATOM 378 CA GLY A 28 1.089 -6.845 2.988 1.00 0.00 C ATOM 379 C GLY A 28 -0.366 -6.721 2.684 1.00 0.00 C ATOM 380 O GLY A 28 -1.210 -6.699 3.557 1.00 0.00 O ATOM 381 H GLY A 28 1.715 -8.111 4.581 1.00 0.00 H ATOM 382 HA2 GLY A 28 1.356 -6.021 3.616 1.00 0.00 H ATOM 383 HA3 GLY A 28 1.627 -6.791 2.055 1.00 0.00 H ATOM 384 N CYS A 29 -0.585 -6.634 1.412 1.00 0.00 N ATOM 385 CA CYS A 29 -1.950 -6.497 0.900 1.00 0.00 C ATOM 386 C CYS A 29 -2.938 -7.481 1.567 1.00 0.00 C ATOM 387 O CYS A 29 -2.803 -8.687 1.448 1.00 0.00 O ATOM 388 CB CYS A 29 -1.950 -6.711 -0.614 1.00 0.00 C ATOM 389 SG CYS A 29 -3.167 -5.633 -1.400 1.00 0.00 S ATOM 390 H CYS A 29 0.175 -6.658 0.816 1.00 0.00 H ATOM 391 HA CYS A 29 -2.199 -5.480 1.091 1.00 0.00 H ATOM 392 HB2 CYS A 29 -0.981 -6.492 -1.030 1.00 0.00 H ATOM 393 HB3 CYS A 29 -2.196 -7.740 -0.848 1.00 0.00 H ATOM 394 N PRO A 30 -3.906 -6.944 2.272 1.00 0.00 N ATOM 395 CA PRO A 30 -4.988 -7.743 2.840 1.00 0.00 C ATOM 396 C PRO A 30 -6.028 -7.995 1.738 1.00 0.00 C ATOM 397 O PRO A 30 -6.125 -7.335 0.720 1.00 0.00 O ATOM 398 CB PRO A 30 -5.487 -6.909 4.018 1.00 0.00 C ATOM 399 CG PRO A 30 -5.225 -5.453 3.592 1.00 0.00 C ATOM 400 CD PRO A 30 -4.055 -5.510 2.599 1.00 0.00 C ATOM 401 HA PRO A 30 -4.585 -8.667 3.232 1.00 0.00 H ATOM 402 HB2 PRO A 30 -6.538 -7.079 4.204 1.00 0.00 H ATOM 403 HB3 PRO A 30 -4.919 -7.147 4.907 1.00 0.00 H ATOM 404 HG2 PRO A 30 -6.068 -4.974 3.127 1.00 0.00 H ATOM 405 HG3 PRO A 30 -4.934 -4.884 4.460 1.00 0.00 H ATOM 406 HD2 PRO A 30 -4.313 -4.984 1.693 1.00 0.00 H ATOM 407 HD3 PRO A 30 -3.144 -5.152 3.032 1.00 0.00 H ATOM 408 N SER A 31 -6.796 -8.989 2.015 1.00 0.00 N ATOM 409 CA SER A 31 -7.869 -9.441 1.132 1.00 0.00 C ATOM 410 C SER A 31 -8.904 -8.354 1.187 1.00 0.00 C ATOM 411 O SER A 31 -9.561 -8.153 2.192 1.00 0.00 O ATOM 412 CB SER A 31 -8.381 -10.782 1.671 1.00 0.00 C ATOM 413 OG SER A 31 -8.530 -10.519 3.063 1.00 0.00 O ATOM 414 H SER A 31 -6.660 -9.446 2.842 1.00 0.00 H ATOM 415 HA SER A 31 -7.432 -9.463 0.155 1.00 0.00 H ATOM 416 HB2 SER A 31 -9.339 -11.043 1.246 1.00 0.00 H ATOM 417 HB3 SER A 31 -7.675 -11.586 1.518 1.00 0.00 H ATOM 418 HG SER A 31 -9.041 -9.699 3.163 1.00 0.00 H ATOM 419 N GLY A 32 -8.973 -7.707 0.074 1.00 0.00 N ATOM 420 CA GLY A 32 -9.897 -6.580 -0.143 1.00 0.00 C ATOM 421 C GLY A 32 -9.059 -5.500 -0.817 1.00 0.00 C ATOM 422 O GLY A 32 -9.602 -4.478 -1.178 1.00 0.00 O ATOM 423 H GLY A 32 -8.387 -7.981 -0.654 1.00 0.00 H ATOM 424 HA2 GLY A 32 -10.712 -6.873 -0.788 1.00 0.00 H ATOM 425 HA3 GLY A 32 -10.257 -6.221 0.805 1.00 0.00 H ATOM 426 N TRP A 33 -7.773 -5.761 -0.950 1.00 0.00 N ATOM 427 CA TRP A 33 -6.841 -4.814 -1.586 1.00 0.00 C ATOM 428 C TRP A 33 -6.342 -5.560 -2.828 1.00 0.00 C ATOM 429 O TRP A 33 -6.921 -6.557 -3.223 1.00 0.00 O ATOM 430 CB TRP A 33 -5.720 -4.495 -0.535 1.00 0.00 C ATOM 431 CG TRP A 33 -6.292 -3.608 0.583 1.00 0.00 C ATOM 432 CD1 TRP A 33 -7.363 -3.880 1.381 1.00 0.00 C ATOM 433 CD2 TRP A 33 -5.819 -2.389 0.900 1.00 0.00 C ATOM 434 NE1 TRP A 33 -7.465 -2.792 2.125 1.00 0.00 N ATOM 435 CE2 TRP A 33 -6.584 -1.830 1.914 1.00 0.00 C ATOM 436 CE3 TRP A 33 -4.753 -1.678 0.366 1.00 0.00 C ATOM 437 CZ2 TRP A 33 -6.287 -0.556 2.391 1.00 0.00 C ATOM 438 CZ3 TRP A 33 -4.461 -0.420 0.836 1.00 0.00 C ATOM 439 CH2 TRP A 33 -5.220 0.150 1.845 1.00 0.00 C ATOM 440 H TRP A 33 -7.330 -6.587 -0.650 1.00 0.00 H ATOM 441 HA TRP A 33 -7.384 -3.949 -1.919 1.00 0.00 H ATOM 442 HB2 TRP A 33 -5.350 -5.409 -0.107 1.00 0.00 H ATOM 443 HB3 TRP A 33 -4.886 -3.984 -0.979 1.00 0.00 H ATOM 444 HD1 TRP A 33 -7.969 -4.774 1.409 1.00 0.00 H ATOM 445 HE1 TRP A 33 -8.175 -2.697 2.796 1.00 0.00 H ATOM 446 HE3 TRP A 33 -4.134 -2.098 -0.411 1.00 0.00 H ATOM 447 HZ2 TRP A 33 -6.881 -0.114 3.178 1.00 0.00 H ATOM 448 HZ3 TRP A 33 -3.640 0.116 0.400 1.00 0.00 H ATOM 449 HH2 TRP A 33 -4.978 1.145 2.190 1.00 0.00 H ATOM 450 N HIS A 34 -5.282 -5.069 -3.400 1.00 0.00 N ATOM 451 CA HIS A 34 -4.685 -5.679 -4.619 1.00 0.00 C ATOM 452 C HIS A 34 -3.202 -6.013 -4.517 1.00 0.00 C ATOM 453 O HIS A 34 -2.838 -7.120 -4.175 1.00 0.00 O ATOM 454 CB HIS A 34 -4.933 -4.723 -5.842 1.00 0.00 C ATOM 455 CG HIS A 34 -6.370 -4.902 -6.334 1.00 0.00 C ATOM 456 ND1 HIS A 34 -6.752 -5.717 -7.263 1.00 0.00 N ATOM 457 CD2 HIS A 34 -7.533 -4.280 -5.933 1.00 0.00 C ATOM 458 CE1 HIS A 34 -8.034 -5.617 -7.430 1.00 0.00 C ATOM 459 NE2 HIS A 34 -8.560 -4.733 -6.622 1.00 0.00 N ATOM 460 H HIS A 34 -4.892 -4.295 -2.983 1.00 0.00 H ATOM 461 HA HIS A 34 -5.194 -6.579 -4.751 1.00 0.00 H ATOM 462 HB2 HIS A 34 -4.813 -3.691 -5.543 1.00 0.00 H ATOM 463 HB3 HIS A 34 -4.261 -4.941 -6.661 1.00 0.00 H ATOM 464 HD1 HIS A 34 -6.178 -6.324 -7.778 1.00 0.00 H ATOM 465 HD2 HIS A 34 -7.587 -3.527 -5.164 1.00 0.00 H ATOM 466 HE1 HIS A 34 -8.604 -6.191 -8.148 1.00 0.00 H ATOM 467 N ASN A 35 -2.420 -5.031 -4.850 1.00 0.00 N ATOM 468 CA ASN A 35 -0.928 -5.031 -4.852 1.00 0.00 C ATOM 469 C ASN A 35 -0.444 -4.082 -5.936 1.00 0.00 C ATOM 470 O ASN A 35 -1.105 -3.886 -6.939 1.00 0.00 O ATOM 471 CB ASN A 35 -0.341 -6.413 -5.159 1.00 0.00 C ATOM 472 CG ASN A 35 -0.768 -6.925 -6.538 1.00 0.00 C ATOM 473 OD1 ASN A 35 -0.136 -6.653 -7.537 1.00 0.00 O ATOM 474 ND2 ASN A 35 -1.828 -7.668 -6.639 1.00 0.00 N ATOM 475 H ASN A 35 -2.877 -4.231 -5.130 1.00 0.00 H ATOM 476 HA ASN A 35 -0.587 -4.661 -3.898 1.00 0.00 H ATOM 477 HB2 ASN A 35 0.730 -6.324 -5.151 1.00 0.00 H ATOM 478 HB3 ASN A 35 -0.651 -7.104 -4.395 1.00 0.00 H ATOM 479 HD21 ASN A 35 -2.338 -7.883 -5.824 1.00 0.00 H ATOM 480 HD22 ASN A 35 -2.108 -8.003 -7.515 1.00 0.00 H ATOM 481 N CYS A 36 0.701 -3.500 -5.700 1.00 0.00 N ATOM 482 CA CYS A 36 1.264 -2.555 -6.710 1.00 0.00 C ATOM 483 C CYS A 36 2.794 -2.592 -6.604 1.00 0.00 C ATOM 484 O CYS A 36 3.514 -2.701 -7.576 1.00 0.00 O ATOM 485 CB CYS A 36 0.688 -1.176 -6.404 1.00 0.00 C ATOM 486 SG CYS A 36 1.203 -0.353 -4.880 1.00 0.00 S ATOM 487 H CYS A 36 1.177 -3.693 -4.863 1.00 0.00 H ATOM 488 HA CYS A 36 0.976 -2.877 -7.703 1.00 0.00 H ATOM 489 HB2 CYS A 36 0.931 -0.543 -7.242 1.00 0.00 H ATOM 490 HB3 CYS A 36 -0.390 -1.261 -6.379 1.00 0.00 H ATOM 491 N LYS A 37 3.253 -2.515 -5.386 1.00 0.00 N ATOM 492 CA LYS A 37 4.711 -2.538 -5.109 1.00 0.00 C ATOM 493 C LYS A 37 5.171 -4.003 -4.941 1.00 0.00 C ATOM 494 O LYS A 37 5.339 -4.495 -3.841 1.00 0.00 O ATOM 495 CB LYS A 37 4.969 -1.734 -3.812 1.00 0.00 C ATOM 496 CG LYS A 37 4.709 -0.213 -4.018 1.00 0.00 C ATOM 497 CD LYS A 37 5.590 0.407 -5.142 1.00 0.00 C ATOM 498 CE LYS A 37 7.059 0.051 -4.956 1.00 0.00 C ATOM 499 NZ LYS A 37 7.897 0.897 -5.848 1.00 0.00 N ATOM 500 H LYS A 37 2.634 -2.428 -4.639 1.00 0.00 H ATOM 501 HA LYS A 37 5.213 -2.082 -5.949 1.00 0.00 H ATOM 502 HB2 LYS A 37 4.265 -2.126 -3.091 1.00 0.00 H ATOM 503 HB3 LYS A 37 5.948 -1.908 -3.394 1.00 0.00 H ATOM 504 HG2 LYS A 37 3.665 -0.061 -4.255 1.00 0.00 H ATOM 505 HG3 LYS A 37 4.923 0.324 -3.104 1.00 0.00 H ATOM 506 HD2 LYS A 37 5.252 0.069 -6.111 1.00 0.00 H ATOM 507 HD3 LYS A 37 5.501 1.480 -5.099 1.00 0.00 H ATOM 508 HE2 LYS A 37 7.358 0.216 -3.930 1.00 0.00 H ATOM 509 HE3 LYS A 37 7.225 -0.989 -5.204 1.00 0.00 H ATOM 510 HZ1 LYS A 37 7.347 1.583 -6.415 1.00 0.00 H ATOM 511 HZ2 LYS A 37 8.660 1.392 -5.351 1.00 0.00 H ATOM 512 HZ3 LYS A 37 8.282 0.325 -6.643 1.00 0.00 H ATOM 513 N ALA A 38 5.364 -4.656 -6.058 1.00 0.00 N ATOM 514 CA ALA A 38 5.815 -6.090 -6.066 1.00 0.00 C ATOM 515 C ALA A 38 7.339 -6.118 -5.845 1.00 0.00 C ATOM 516 O ALA A 38 8.088 -6.756 -6.559 1.00 0.00 O ATOM 517 CB ALA A 38 5.444 -6.720 -7.432 1.00 0.00 C ATOM 518 H ALA A 38 5.203 -4.178 -6.896 1.00 0.00 H ATOM 519 HA ALA A 38 5.336 -6.618 -5.254 1.00 0.00 H ATOM 520 HB1 ALA A 38 4.375 -6.683 -7.588 1.00 0.00 H ATOM 521 HB2 ALA A 38 5.940 -6.196 -8.235 1.00 0.00 H ATOM 522 HB3 ALA A 38 5.767 -7.752 -7.452 1.00 0.00 H ATOM 523 N HIS A 39 7.723 -5.403 -4.827 1.00 0.00 N ATOM 524 CA HIS A 39 9.154 -5.277 -4.425 1.00 0.00 C ATOM 525 C HIS A 39 9.291 -5.139 -2.915 1.00 0.00 C ATOM 526 O HIS A 39 10.035 -5.871 -2.295 1.00 0.00 O ATOM 527 CB HIS A 39 9.785 -4.035 -5.087 1.00 0.00 C ATOM 528 CG HIS A 39 10.123 -4.349 -6.541 1.00 0.00 C ATOM 529 ND1 HIS A 39 11.215 -4.922 -6.924 1.00 0.00 N ATOM 530 CD2 HIS A 39 9.423 -4.125 -7.711 1.00 0.00 C ATOM 531 CE1 HIS A 39 11.207 -5.049 -8.215 1.00 0.00 C ATOM 532 NE2 HIS A 39 10.110 -4.566 -8.744 1.00 0.00 N ATOM 533 H HIS A 39 7.025 -4.949 -4.314 1.00 0.00 H ATOM 534 HA HIS A 39 9.680 -6.170 -4.736 1.00 0.00 H ATOM 535 HB2 HIS A 39 9.095 -3.206 -5.067 1.00 0.00 H ATOM 536 HB3 HIS A 39 10.693 -3.749 -4.574 1.00 0.00 H ATOM 537 HD1 HIS A 39 11.939 -5.217 -6.330 1.00 0.00 H ATOM 538 HD2 HIS A 39 8.451 -3.657 -7.777 1.00 0.00 H ATOM 539 HE1 HIS A 39 12.002 -5.498 -8.792 1.00 0.00 H ATOM 540 N GLY A 40 8.580 -4.212 -2.337 1.00 0.00 N ATOM 541 CA GLY A 40 8.677 -4.026 -0.871 1.00 0.00 C ATOM 542 C GLY A 40 7.707 -2.928 -0.462 1.00 0.00 C ATOM 543 O GLY A 40 6.642 -2.845 -1.041 1.00 0.00 O ATOM 544 H GLY A 40 7.975 -3.629 -2.833 1.00 0.00 H ATOM 545 HA2 GLY A 40 8.407 -4.938 -0.371 1.00 0.00 H ATOM 546 HA3 GLY A 40 9.693 -3.759 -0.644 1.00 0.00 H ATOM 547 N PRO A 41 8.068 -2.108 0.495 1.00 0.00 N ATOM 548 CA PRO A 41 9.417 -2.041 1.116 1.00 0.00 C ATOM 549 C PRO A 41 9.787 -3.236 2.008 1.00 0.00 C ATOM 550 O PRO A 41 8.964 -3.992 2.478 1.00 0.00 O ATOM 551 CB PRO A 41 9.385 -0.690 1.848 1.00 0.00 C ATOM 552 CG PRO A 41 7.915 -0.594 2.309 1.00 0.00 C ATOM 553 CD PRO A 41 7.125 -1.117 1.084 1.00 0.00 C ATOM 554 HA PRO A 41 10.145 -2.003 0.325 1.00 0.00 H ATOM 555 HB2 PRO A 41 10.064 -0.670 2.687 1.00 0.00 H ATOM 556 HB3 PRO A 41 9.620 0.118 1.169 1.00 0.00 H ATOM 557 HG2 PRO A 41 7.749 -1.216 3.174 1.00 0.00 H ATOM 558 HG3 PRO A 41 7.637 0.426 2.535 1.00 0.00 H ATOM 559 HD2 PRO A 41 6.208 -1.616 1.361 1.00 0.00 H ATOM 560 HD3 PRO A 41 6.927 -0.341 0.359 1.00 0.00 H ATOM 561 N THR A 42 11.059 -3.365 2.228 1.00 0.00 N ATOM 562 CA THR A 42 11.629 -4.457 3.062 1.00 0.00 C ATOM 563 C THR A 42 11.362 -4.278 4.569 1.00 0.00 C ATOM 564 O THR A 42 12.186 -4.654 5.381 1.00 0.00 O ATOM 565 CB THR A 42 13.133 -4.473 2.734 1.00 0.00 C ATOM 566 OG1 THR A 42 13.441 -3.086 2.615 1.00 0.00 O ATOM 567 CG2 THR A 42 13.413 -4.996 1.318 1.00 0.00 C ATOM 568 H THR A 42 11.716 -2.736 1.854 1.00 0.00 H ATOM 569 HA THR A 42 11.178 -5.391 2.760 1.00 0.00 H ATOM 570 HB THR A 42 13.734 -4.939 3.503 1.00 0.00 H ATOM 571 HG1 THR A 42 14.022 -2.853 3.346 1.00 0.00 H ATOM 572 HG21 THR A 42 12.922 -4.382 0.579 1.00 0.00 H ATOM 573 HG22 THR A 42 14.476 -4.983 1.126 1.00 0.00 H ATOM 574 HG23 THR A 42 13.057 -6.010 1.211 1.00 0.00 H ATOM 575 N ILE A 43 10.234 -3.712 4.907 1.00 0.00 N ATOM 576 CA ILE A 43 9.889 -3.497 6.359 1.00 0.00 C ATOM 577 C ILE A 43 8.398 -3.760 6.622 1.00 0.00 C ATOM 578 O ILE A 43 8.024 -4.363 7.608 1.00 0.00 O ATOM 579 CB ILE A 43 10.264 -2.027 6.776 1.00 0.00 C ATOM 580 CG1 ILE A 43 9.585 -0.983 5.836 1.00 0.00 C ATOM 581 CG2 ILE A 43 11.811 -1.866 6.751 1.00 0.00 C ATOM 582 CD1 ILE A 43 9.954 0.460 6.244 1.00 0.00 C ATOM 583 H ILE A 43 9.626 -3.443 4.183 1.00 0.00 H ATOM 584 HA ILE A 43 10.454 -4.200 6.956 1.00 0.00 H ATOM 585 HB ILE A 43 9.910 -1.869 7.786 1.00 0.00 H ATOM 586 HG12 ILE A 43 9.892 -1.153 4.816 1.00 0.00 H ATOM 587 HG13 ILE A 43 8.511 -1.073 5.896 1.00 0.00 H ATOM 588 HG21 ILE A 43 12.267 -2.585 7.416 1.00 0.00 H ATOM 589 HG22 ILE A 43 12.198 -2.030 5.757 1.00 0.00 H ATOM 590 HG23 ILE A 43 12.106 -0.880 7.076 1.00 0.00 H ATOM 591 HD11 ILE A 43 9.649 0.656 7.262 1.00 0.00 H ATOM 592 HD12 ILE A 43 11.015 0.633 6.158 1.00 0.00 H ATOM 593 HD13 ILE A 43 9.447 1.160 5.595 1.00 0.00 H ATOM 594 N GLY A 44 7.594 -3.288 5.716 1.00 0.00 N ATOM 595 CA GLY A 44 6.108 -3.427 5.755 1.00 0.00 C ATOM 596 C GLY A 44 5.775 -3.521 4.266 1.00 0.00 C ATOM 597 O GLY A 44 6.628 -3.188 3.467 1.00 0.00 O ATOM 598 H GLY A 44 7.960 -2.811 4.946 1.00 0.00 H ATOM 599 HA2 GLY A 44 5.827 -4.335 6.269 1.00 0.00 H ATOM 600 HA3 GLY A 44 5.648 -2.556 6.195 1.00 0.00 H ATOM 601 N TRP A 45 4.604 -3.935 3.877 1.00 0.00 N ATOM 602 CA TRP A 45 4.343 -4.015 2.401 1.00 0.00 C ATOM 603 C TRP A 45 3.527 -2.822 1.905 1.00 0.00 C ATOM 604 O TRP A 45 2.777 -2.214 2.640 1.00 0.00 O ATOM 605 CB TRP A 45 3.529 -5.225 2.032 1.00 0.00 C ATOM 606 CG TRP A 45 4.027 -6.587 2.563 1.00 0.00 C ATOM 607 CD1 TRP A 45 4.130 -6.968 3.874 1.00 0.00 C ATOM 608 CD2 TRP A 45 4.383 -7.627 1.774 1.00 0.00 C ATOM 609 NE1 TRP A 45 4.538 -8.219 3.782 1.00 0.00 N ATOM 610 CE2 TRP A 45 4.719 -8.708 2.572 1.00 0.00 C ATOM 611 CE3 TRP A 45 4.454 -7.759 0.386 1.00 0.00 C ATOM 612 CZ2 TRP A 45 5.117 -9.915 2.015 1.00 0.00 C ATOM 613 CZ3 TRP A 45 4.857 -8.968 -0.184 1.00 0.00 C ATOM 614 CH2 TRP A 45 5.188 -10.047 0.633 1.00 0.00 C ATOM 615 H TRP A 45 3.907 -4.173 4.528 1.00 0.00 H ATOM 616 HA TRP A 45 5.280 -4.039 1.860 1.00 0.00 H ATOM 617 HB2 TRP A 45 2.553 -5.025 2.431 1.00 0.00 H ATOM 618 HB3 TRP A 45 3.434 -5.290 0.958 1.00 0.00 H ATOM 619 HD1 TRP A 45 3.924 -6.400 4.770 1.00 0.00 H ATOM 620 HE1 TRP A 45 4.706 -8.792 4.565 1.00 0.00 H ATOM 621 HE3 TRP A 45 4.198 -6.926 -0.251 1.00 0.00 H ATOM 622 HZ2 TRP A 45 5.354 -10.746 2.663 1.00 0.00 H ATOM 623 HZ3 TRP A 45 4.911 -9.067 -1.258 1.00 0.00 H ATOM 624 HH2 TRP A 45 5.502 -10.984 0.196 1.00 0.00 H ATOM 625 N CYS A 46 3.698 -2.543 0.649 1.00 0.00 N ATOM 626 CA CYS A 46 2.976 -1.415 0.002 1.00 0.00 C ATOM 627 C CYS A 46 1.873 -1.947 -0.932 1.00 0.00 C ATOM 628 O CYS A 46 2.151 -2.730 -1.821 1.00 0.00 O ATOM 629 CB CYS A 46 3.994 -0.617 -0.776 1.00 0.00 C ATOM 630 SG CYS A 46 4.772 0.795 0.037 1.00 0.00 S ATOM 631 H CYS A 46 4.315 -3.082 0.108 1.00 0.00 H ATOM 632 HA CYS A 46 2.537 -0.779 0.764 1.00 0.00 H ATOM 633 HB2 CYS A 46 4.797 -1.280 -1.067 1.00 0.00 H ATOM 634 HB3 CYS A 46 3.537 -0.272 -1.691 1.00 0.00 H ATOM 635 N CYS A 47 0.656 -1.525 -0.712 1.00 0.00 N ATOM 636 CA CYS A 47 -0.480 -1.971 -1.567 1.00 0.00 C ATOM 637 C CYS A 47 -1.547 -0.890 -1.623 1.00 0.00 C ATOM 638 O CYS A 47 -1.427 0.163 -1.023 1.00 0.00 O ATOM 639 CB CYS A 47 -1.131 -3.269 -1.023 1.00 0.00 C ATOM 640 SG CYS A 47 -2.104 -4.153 -2.267 1.00 0.00 S ATOM 641 H CYS A 47 0.471 -0.903 0.017 1.00 0.00 H ATOM 642 HA CYS A 47 -0.111 -2.080 -2.570 1.00 0.00 H ATOM 643 HB2 CYS A 47 -0.357 -3.937 -0.682 1.00 0.00 H ATOM 644 HB3 CYS A 47 -1.783 -3.048 -0.191 1.00 0.00 H ATOM 645 N LYS A 48 -2.581 -1.204 -2.351 1.00 0.00 N ATOM 646 CA LYS A 48 -3.711 -0.245 -2.513 1.00 0.00 C ATOM 647 C LYS A 48 -4.937 -1.123 -2.507 1.00 0.00 C ATOM 648 O LYS A 48 -4.839 -2.303 -2.804 1.00 0.00 O ATOM 649 CB LYS A 48 -3.532 0.540 -3.851 1.00 0.00 C ATOM 650 CG LYS A 48 -2.166 1.279 -3.728 1.00 0.00 C ATOM 651 CD LYS A 48 -2.056 2.572 -4.551 1.00 0.00 C ATOM 652 CE LYS A 48 -2.157 2.341 -6.050 1.00 0.00 C ATOM 653 NZ LYS A 48 -1.595 3.540 -6.718 1.00 0.00 N ATOM 654 H LYS A 48 -2.629 -2.094 -2.784 1.00 0.00 H ATOM 655 HA LYS A 48 -3.758 0.417 -1.655 1.00 0.00 H ATOM 656 HB2 LYS A 48 -3.537 -0.154 -4.681 1.00 0.00 H ATOM 657 HB3 LYS A 48 -4.351 1.234 -3.976 1.00 0.00 H ATOM 658 HG2 LYS A 48 -2.014 1.552 -2.698 1.00 0.00 H ATOM 659 HG3 LYS A 48 -1.366 0.604 -4.000 1.00 0.00 H ATOM 660 HD2 LYS A 48 -2.836 3.251 -4.233 1.00 0.00 H ATOM 661 HD3 LYS A 48 -1.103 3.027 -4.322 1.00 0.00 H ATOM 662 HE2 LYS A 48 -1.576 1.476 -6.343 1.00 0.00 H ATOM 663 HE3 LYS A 48 -3.184 2.203 -6.359 1.00 0.00 H ATOM 664 HZ1 LYS A 48 -1.087 4.196 -6.081 1.00 0.00 H ATOM 665 HZ2 LYS A 48 -0.843 3.308 -7.405 1.00 0.00 H ATOM 666 HZ3 LYS A 48 -2.287 4.068 -7.277 1.00 0.00 H ATOM 667 N GLN A 49 -6.034 -0.521 -2.152 1.00 0.00 N ATOM 668 CA GLN A 49 -7.293 -1.236 -2.084 1.00 0.00 C ATOM 669 C GLN A 49 -7.842 -1.695 -3.443 1.00 0.00 C ATOM 670 O GLN A 49 -7.346 -1.193 -4.435 1.00 0.00 O ATOM 671 CB GLN A 49 -8.253 -0.285 -1.357 1.00 0.00 C ATOM 672 CG GLN A 49 -8.973 -1.202 -0.463 1.00 0.00 C ATOM 673 CD GLN A 49 -10.179 -0.599 0.223 1.00 0.00 C ATOM 674 OE1 GLN A 49 -10.200 0.550 0.614 1.00 0.00 O ATOM 675 NE2 GLN A 49 -11.226 -1.344 0.404 1.00 0.00 N ATOM 676 OXT GLN A 49 -8.730 -2.529 -3.407 1.00 0.00 O ATOM 677 H GLN A 49 -6.102 0.410 -1.903 1.00 0.00 H ATOM 678 HA GLN A 49 -7.090 -2.112 -1.495 1.00 0.00 H ATOM 679 HB2 GLN A 49 -7.755 0.472 -0.772 1.00 0.00 H ATOM 680 HB3 GLN A 49 -8.931 0.181 -2.059 1.00 0.00 H ATOM 681 HG2 GLN A 49 -9.210 -2.055 -1.056 1.00 0.00 H ATOM 682 HG3 GLN A 49 -8.258 -1.476 0.291 1.00 0.00 H ATOM 683 HE21 GLN A 49 -11.232 -2.268 0.077 1.00 0.00 H ATOM 684 HE22 GLN A 49 -11.994 -0.965 0.869 1.00 0.00 H