USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 665 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 58 CYS SG : rot 180:sc= -1.36 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 39 HIS : no HD1:sc= 0.972 K(o=2.2,f=-2.4!) USER MOD Set 2.2: A 41 SER OG : rot -112:sc= 1.19 USER MOD Set 3.1: A 23 CYS SG : rot 161:sc= 1.98! USER MOD Set 3.2: A 26 CYS SG : rot 56:sc= -2.43! USER MOD Set 3.3: A 51 HIS : no HD1:sc= -0.532 K(o=-22,f=-23) USER MOD Set 3.4: A 71 CYS SG : rot -90:sc= -10.2! USER MOD Set 3.5: A 74 CYS SG : rot -97:sc= -11.2! USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -174:sc= 0.485 (180deg=0.38) USER MOD Single : A 27 SER OG : rot -31:sc= 0.21 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 94:sc= 1.23 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc=-0.00277 X(o=-0.0028,f=0) USER MOD Single : A 35 SER OG : rot -88:sc= 1.26 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 178:sc= -0.264 USER MOD Single : A 49 THR OG1 : rot -109:sc= 1.21 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.168 K(o=0.17,f=-2.5!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.106 K(o=0.11,f=-1.9!) USER MOD Single : A 80 HIS : no HE2:sc= 0.306 K(o=0.31,f=-1.3) USER MOD Single : A 84 ASN : amide:sc=-0.00402 X(o=-0.004,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0.814 K(o=0.81,f=-0.012) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot -21:sc= 0.266 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -37:sc= 0.573 USER MOD Single : A 100 SER OG : rot -71:sc= 1.42 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 261 N PRO A 18 59.316 49.652 46.105 1.00 0.00 N ATOM 262 CA PRO A 18 59.017 49.719 47.535 1.00 0.00 C ATOM 263 C PRO A 18 59.941 48.823 48.371 1.00 0.00 C ATOM 264 O PRO A 18 60.047 47.621 48.131 1.00 0.00 O ATOM 265 CB PRO A 18 57.553 49.291 47.663 1.00 0.00 C ATOM 266 CG PRO A 18 57.372 48.334 46.484 1.00 0.00 C ATOM 267 CD PRO A 18 58.241 48.968 45.401 1.00 0.00 C ATOM 0 HA PRO A 18 59.183 50.725 47.922 1.00 0.00 H new ATOM 0 HB2 PRO A 18 57.358 48.799 48.616 1.00 0.00 H new ATOM 0 HB3 PRO A 18 56.876 50.143 47.599 1.00 0.00 H new ATOM 0 HG2 PRO A 18 57.702 47.324 46.728 1.00 0.00 H new ATOM 0 HG3 PRO A 18 56.329 48.263 46.176 1.00 0.00 H new ATOM 0 HD2 PRO A 18 58.637 48.211 44.724 1.00 0.00 H new ATOM 0 HD3 PRO A 18 57.664 49.667 44.795 1.00 0.00 H new ATOM 275 N GLY A 19 60.542 49.394 49.419 1.00 0.00 N ATOM 276 CA GLY A 19 61.497 48.681 50.272 1.00 0.00 C ATOM 277 C GLY A 19 62.888 48.550 49.663 1.00 0.00 C ATOM 278 O GLY A 19 63.272 49.293 48.761 1.00 0.00 O ATOM 0 H GLY A 19 60.381 50.361 49.699 1.00 0.00 H new ATOM 0 HA2 GLY A 19 61.576 49.201 51.226 1.00 0.00 H new ATOM 0 HA3 GLY A 19 61.108 47.685 50.483 1.00 0.00 H new ATOM 282 N VAL A 20 63.664 47.617 50.207 1.00 0.00 N ATOM 283 CA VAL A 20 64.992 47.259 49.699 1.00 0.00 C ATOM 284 C VAL A 20 65.177 45.736 49.716 1.00 0.00 C ATOM 285 O VAL A 20 64.510 45.026 50.473 1.00 0.00 O ATOM 286 CB VAL A 20 66.101 47.929 50.529 1.00 0.00 C ATOM 287 CG1 VAL A 20 67.372 48.165 49.695 1.00 0.00 C ATOM 288 CG2 VAL A 20 65.746 49.281 51.170 1.00 0.00 C ATOM 0 H VAL A 20 63.386 47.077 51.027 1.00 0.00 H new ATOM 0 HA VAL A 20 65.066 47.617 48.672 1.00 0.00 H new ATOM 0 HB VAL A 20 66.252 47.208 51.332 1.00 0.00 H new ATOM 0 HG11 VAL A 20 68.132 48.640 50.316 1.00 0.00 H new ATOM 0 HG12 VAL A 20 67.748 47.210 49.327 1.00 0.00 H new ATOM 0 HG13 VAL A 20 67.138 48.812 48.850 1.00 0.00 H new ATOM 0 HG21 VAL A 20 66.604 49.655 51.729 1.00 0.00 H new ATOM 0 HG22 VAL A 20 65.481 49.995 50.390 1.00 0.00 H new ATOM 0 HG23 VAL A 20 64.901 49.152 51.846 1.00 0.00 H new ATOM 298 N TYR A 21 66.130 45.235 48.931 1.00 0.00 N ATOM 299 CA TYR A 21 66.614 43.853 49.031 1.00 0.00 C ATOM 300 C TYR A 21 67.998 43.840 49.685 1.00 0.00 C ATOM 301 O TYR A 21 68.756 44.802 49.555 1.00 0.00 O ATOM 302 CB TYR A 21 66.606 43.163 47.661 1.00 0.00 C ATOM 303 CG TYR A 21 65.218 42.829 47.141 1.00 0.00 C ATOM 304 CD1 TYR A 21 64.608 41.614 47.517 1.00 0.00 C ATOM 305 CD2 TYR A 21 64.528 43.719 46.293 1.00 0.00 C ATOM 306 CE1 TYR A 21 63.317 41.293 47.059 1.00 0.00 C ATOM 307 CE2 TYR A 21 63.234 43.403 45.832 1.00 0.00 C ATOM 308 CZ TYR A 21 62.623 42.191 46.217 1.00 0.00 C ATOM 309 OH TYR A 21 61.370 41.877 45.792 1.00 0.00 O ATOM 0 H TYR A 21 66.593 45.778 48.202 1.00 0.00 H new ATOM 0 HA TYR A 21 65.938 43.279 49.665 1.00 0.00 H new ATOM 0 HB2 TYR A 21 67.107 43.808 46.939 1.00 0.00 H new ATOM 0 HB3 TYR A 21 67.189 42.244 47.726 1.00 0.00 H new ATOM 0 HD1 TYR A 21 65.135 40.926 48.161 1.00 0.00 H new ATOM 0 HD2 TYR A 21 64.993 44.647 45.995 1.00 0.00 H new ATOM 0 HE1 TYR A 21 62.857 40.361 47.351 1.00 0.00 H new ATOM 0 HE2 TYR A 21 62.710 44.089 45.183 1.00 0.00 H new ATOM 0 HH TYR A 21 61.028 42.597 45.222 1.00 0.00 H new ATOM 319 N VAL A 22 68.325 42.776 50.416 1.00 0.00 N ATOM 320 CA VAL A 22 69.594 42.635 51.149 1.00 0.00 C ATOM 321 C VAL A 22 70.133 41.215 51.025 1.00 0.00 C ATOM 322 O VAL A 22 69.366 40.284 50.771 1.00 0.00 O ATOM 323 CB VAL A 22 69.492 43.055 52.635 1.00 0.00 C ATOM 324 CG1 VAL A 22 68.583 44.272 52.863 1.00 0.00 C ATOM 325 CG2 VAL A 22 68.934 41.973 53.573 1.00 0.00 C ATOM 0 H VAL A 22 67.709 41.970 50.521 1.00 0.00 H new ATOM 0 HA VAL A 22 70.297 43.326 50.683 1.00 0.00 H new ATOM 0 HB VAL A 22 70.534 43.270 52.871 1.00 0.00 H new ATOM 0 HG11 VAL A 22 68.557 44.512 53.926 1.00 0.00 H new ATOM 0 HG12 VAL A 22 68.972 45.126 52.307 1.00 0.00 H new ATOM 0 HG13 VAL A 22 67.575 44.043 52.518 1.00 0.00 H new ATOM 0 HG21 VAL A 22 68.899 42.358 54.592 1.00 0.00 H new ATOM 0 HG22 VAL A 22 67.928 41.699 53.254 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.578 41.094 53.538 1.00 0.00 H new ATOM 335 N CYS A 23 71.435 41.022 51.241 1.00 0.00 N ATOM 336 CA CYS A 23 72.017 39.685 51.133 1.00 0.00 C ATOM 337 C CYS A 23 71.376 38.694 52.130 1.00 0.00 C ATOM 338 O CYS A 23 71.021 39.045 53.258 1.00 0.00 O ATOM 339 CB CYS A 23 73.544 39.754 51.261 1.00 0.00 C ATOM 340 SG CYS A 23 74.253 38.091 51.061 1.00 0.00 S ATOM 0 H CYS A 23 72.095 41.759 51.487 1.00 0.00 H new ATOM 0 HA CYS A 23 71.791 39.292 50.142 1.00 0.00 H new ATOM 0 HB2 CYS A 23 73.952 40.427 50.506 1.00 0.00 H new ATOM 0 HB3 CYS A 23 73.819 40.162 52.234 1.00 0.00 H new ATOM 0 HG CYS A 23 75.517 38.190 50.773 1.00 0.00 H new ATOM 345 N ALA A 24 71.305 37.429 51.709 1.00 0.00 N ATOM 346 CA ALA A 24 70.924 36.310 52.562 1.00 0.00 C ATOM 347 C ALA A 24 71.774 36.227 53.849 1.00 0.00 C ATOM 348 O ALA A 24 71.273 35.762 54.876 1.00 0.00 O ATOM 349 CB ALA A 24 71.045 35.023 51.742 1.00 0.00 C ATOM 0 H ALA A 24 71.515 37.153 50.750 1.00 0.00 H new ATOM 0 HA ALA A 24 69.896 36.456 52.894 1.00 0.00 H new ATOM 0 HB1 ALA A 24 70.765 34.170 52.360 1.00 0.00 H new ATOM 0 HB2 ALA A 24 70.383 35.078 50.878 1.00 0.00 H new ATOM 0 HB3 ALA A 24 72.074 34.903 51.403 1.00 0.00 H new ATOM 355 N LYS A 25 73.035 36.692 53.797 1.00 0.00 N ATOM 356 CA LYS A 25 73.990 36.682 54.909 1.00 0.00 C ATOM 357 C LYS A 25 74.746 37.979 55.158 1.00 0.00 C ATOM 358 O LYS A 25 74.922 38.362 56.311 1.00 0.00 O ATOM 359 CB LYS A 25 74.962 35.534 54.694 1.00 0.00 C ATOM 360 CG LYS A 25 74.505 34.403 55.620 1.00 0.00 C ATOM 361 CD LYS A 25 75.191 33.087 55.317 1.00 0.00 C ATOM 362 CE LYS A 25 76.502 32.880 56.081 1.00 0.00 C ATOM 363 NZ LYS A 25 77.630 33.666 55.532 1.00 0.00 N ATOM 0 H LYS A 25 73.427 37.099 52.947 1.00 0.00 H new ATOM 0 HA LYS A 25 73.395 36.555 55.813 1.00 0.00 H new ATOM 0 HB2 LYS A 25 74.957 35.210 53.653 1.00 0.00 H new ATOM 0 HB3 LYS A 25 75.982 35.839 54.928 1.00 0.00 H new ATOM 0 HG2 LYS A 25 74.705 34.683 56.654 1.00 0.00 H new ATOM 0 HG3 LYS A 25 73.426 34.276 55.527 1.00 0.00 H new ATOM 0 HD2 LYS A 25 74.510 32.270 55.556 1.00 0.00 H new ATOM 0 HD3 LYS A 25 75.393 33.032 54.247 1.00 0.00 H new ATOM 0 HE2 LYS A 25 76.353 33.153 57.126 1.00 0.00 H new ATOM 0 HE3 LYS A 25 76.762 31.822 56.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 78.507 33.406 56.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 77.732 33.465 54.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 77.444 34.680 55.667 1.00 0.00 H new ATOM 377 N CYS A 26 75.189 38.648 54.107 1.00 0.00 N ATOM 378 CA CYS A 26 76.042 39.821 54.176 1.00 0.00 C ATOM 379 C CYS A 26 75.265 41.043 54.729 1.00 0.00 C ATOM 380 O CYS A 26 75.872 42.027 55.154 1.00 0.00 O ATOM 381 CB CYS A 26 76.638 40.032 52.772 1.00 0.00 C ATOM 382 SG CYS A 26 77.197 38.488 52.006 1.00 0.00 S ATOM 0 H CYS A 26 74.957 38.380 53.151 1.00 0.00 H new ATOM 0 HA CYS A 26 76.862 39.684 54.880 1.00 0.00 H new ATOM 0 HB2 CYS A 26 75.890 40.500 52.132 1.00 0.00 H new ATOM 0 HB3 CYS A 26 77.478 40.724 52.839 1.00 0.00 H new ATOM 0 HG CYS A 26 76.214 37.637 51.977 1.00 0.00 H new ATOM 387 N SER A 27 73.925 40.964 54.651 1.00 0.00 N ATOM 388 CA SER A 27 72.909 41.943 55.082 1.00 0.00 C ATOM 389 C SER A 27 73.052 43.328 54.449 1.00 0.00 C ATOM 390 O SER A 27 72.332 44.262 54.809 1.00 0.00 O ATOM 391 CB SER A 27 72.734 41.991 56.611 1.00 0.00 C ATOM 392 OG SER A 27 73.752 42.726 57.264 1.00 0.00 O ATOM 0 H SER A 27 73.484 40.137 54.248 1.00 0.00 H new ATOM 0 HA SER A 27 71.971 41.560 54.679 1.00 0.00 H new ATOM 0 HB2 SER A 27 71.766 42.434 56.846 1.00 0.00 H new ATOM 0 HB3 SER A 27 72.722 40.973 57.001 1.00 0.00 H new ATOM 0 HG SER A 27 74.590 42.641 56.762 1.00 0.00 H new ATOM 398 N TYR A 28 73.953 43.441 53.467 1.00 0.00 N ATOM 399 CA TYR A 28 74.220 44.662 52.731 1.00 0.00 C ATOM 400 C TYR A 28 73.062 44.949 51.774 1.00 0.00 C ATOM 401 O TYR A 28 72.607 44.052 51.065 1.00 0.00 O ATOM 402 CB TYR A 28 75.570 44.559 52.032 1.00 0.00 C ATOM 403 CG TYR A 28 76.231 45.894 51.722 1.00 0.00 C ATOM 404 CD1 TYR A 28 75.750 46.733 50.693 1.00 0.00 C ATOM 405 CD2 TYR A 28 77.340 46.299 52.483 1.00 0.00 C ATOM 406 CE1 TYR A 28 76.375 47.970 50.438 1.00 0.00 C ATOM 407 CE2 TYR A 28 77.974 47.530 52.225 1.00 0.00 C ATOM 408 CZ TYR A 28 77.492 48.372 51.205 1.00 0.00 C ATOM 409 OH TYR A 28 78.088 49.576 50.987 1.00 0.00 O ATOM 0 H TYR A 28 74.529 42.657 53.160 1.00 0.00 H new ATOM 0 HA TYR A 28 74.285 45.512 53.410 1.00 0.00 H new ATOM 0 HB2 TYR A 28 76.243 43.973 52.657 1.00 0.00 H new ATOM 0 HB3 TYR A 28 75.440 44.009 51.100 1.00 0.00 H new ATOM 0 HD1 TYR A 28 74.901 46.426 50.100 1.00 0.00 H new ATOM 0 HD2 TYR A 28 77.710 45.661 53.272 1.00 0.00 H new ATOM 0 HE1 TYR A 28 76.000 48.612 49.655 1.00 0.00 H new ATOM 0 HE2 TYR A 28 78.831 47.828 52.811 1.00 0.00 H new ATOM 0 HH TYR A 28 78.839 49.686 51.606 1.00 0.00 H new ATOM 419 N GLU A 29 72.568 46.184 51.769 1.00 0.00 N ATOM 420 CA GLU A 29 71.267 46.510 51.184 1.00 0.00 C ATOM 421 C GLU A 29 71.445 46.992 49.742 1.00 0.00 C ATOM 422 O GLU A 29 71.963 48.086 49.506 1.00 0.00 O ATOM 423 CB GLU A 29 70.515 47.507 52.087 1.00 0.00 C ATOM 424 CG GLU A 29 70.609 47.119 53.576 1.00 0.00 C ATOM 425 CD GLU A 29 69.646 47.867 54.508 1.00 0.00 C ATOM 426 OE1 GLU A 29 68.875 48.750 54.065 1.00 0.00 O ATOM 427 OE2 GLU A 29 69.695 47.551 55.720 1.00 0.00 O ATOM 0 H GLU A 29 73.055 46.986 52.169 1.00 0.00 H new ATOM 0 HA GLU A 29 70.643 45.618 51.131 1.00 0.00 H new ATOM 0 HB2 GLU A 29 70.927 48.506 51.946 1.00 0.00 H new ATOM 0 HB3 GLU A 29 69.468 47.549 51.788 1.00 0.00 H new ATOM 0 HG2 GLU A 29 70.422 46.049 53.669 1.00 0.00 H new ATOM 0 HG3 GLU A 29 71.629 47.295 53.917 1.00 0.00 H new ATOM 434 N LEU A 30 71.093 46.145 48.772 1.00 0.00 N ATOM 435 CA LEU A 30 71.453 46.294 47.366 1.00 0.00 C ATOM 436 C LEU A 30 70.398 45.674 46.429 1.00 0.00 C ATOM 437 O LEU A 30 70.024 44.508 46.529 1.00 0.00 O ATOM 438 CB LEU A 30 72.886 45.752 47.147 1.00 0.00 C ATOM 439 CG LEU A 30 73.106 44.254 47.464 1.00 0.00 C ATOM 440 CD1 LEU A 30 72.980 43.382 46.218 1.00 0.00 C ATOM 441 CD2 LEU A 30 74.514 44.002 48.006 1.00 0.00 C ATOM 0 H LEU A 30 70.532 45.312 48.952 1.00 0.00 H new ATOM 0 HA LEU A 30 71.460 47.351 47.101 1.00 0.00 H new ATOM 0 HB2 LEU A 30 73.163 45.926 46.107 1.00 0.00 H new ATOM 0 HB3 LEU A 30 73.571 46.336 47.762 1.00 0.00 H new ATOM 0 HG LEU A 30 72.341 43.999 48.197 1.00 0.00 H new ATOM 0 HD11 LEU A 30 73.142 42.338 46.487 1.00 0.00 H new ATOM 0 HD12 LEU A 30 71.983 43.497 45.793 1.00 0.00 H new ATOM 0 HD13 LEU A 30 73.725 43.687 45.483 1.00 0.00 H new ATOM 0 HD21 LEU A 30 74.637 42.940 48.219 1.00 0.00 H new ATOM 0 HD22 LEU A 30 75.250 44.311 47.264 1.00 0.00 H new ATOM 0 HD23 LEU A 30 74.659 44.575 48.922 1.00 0.00 H new ATOM 453 N PHE A 31 69.937 46.506 45.502 1.00 0.00 N ATOM 454 CA PHE A 31 69.149 46.201 44.300 1.00 0.00 C ATOM 455 C PHE A 31 69.073 47.452 43.393 1.00 0.00 C ATOM 456 O PHE A 31 68.988 48.572 43.900 1.00 0.00 O ATOM 457 CB PHE A 31 67.715 45.801 44.700 1.00 0.00 C ATOM 458 CG PHE A 31 67.173 44.633 43.904 1.00 0.00 C ATOM 459 CD1 PHE A 31 67.635 43.330 44.176 1.00 0.00 C ATOM 460 CD2 PHE A 31 66.214 44.837 42.896 1.00 0.00 C ATOM 461 CE1 PHE A 31 67.149 42.237 43.438 1.00 0.00 C ATOM 462 CE2 PHE A 31 65.731 43.744 42.157 1.00 0.00 C ATOM 463 CZ PHE A 31 66.200 42.446 42.423 1.00 0.00 C ATOM 0 H PHE A 31 70.119 47.507 45.574 1.00 0.00 H new ATOM 0 HA PHE A 31 69.629 45.380 43.767 1.00 0.00 H new ATOM 0 HB2 PHE A 31 67.699 45.548 45.760 1.00 0.00 H new ATOM 0 HB3 PHE A 31 67.056 46.659 44.567 1.00 0.00 H new ATOM 0 HD1 PHE A 31 68.366 43.170 44.955 1.00 0.00 H new ATOM 0 HD2 PHE A 31 65.849 45.832 42.690 1.00 0.00 H new ATOM 0 HE1 PHE A 31 67.504 41.239 43.650 1.00 0.00 H new ATOM 0 HE2 PHE A 31 64.996 43.902 41.381 1.00 0.00 H new ATOM 0 HZ PHE A 31 65.831 41.610 41.848 1.00 0.00 H new ATOM 473 N SER A 32 69.046 47.289 42.069 1.00 0.00 N ATOM 474 CA SER A 32 68.733 48.290 41.067 1.00 0.00 C ATOM 475 C SER A 32 67.462 47.868 40.340 1.00 0.00 C ATOM 476 O SER A 32 67.436 46.803 39.732 1.00 0.00 O ATOM 477 CB SER A 32 69.909 48.411 40.086 1.00 0.00 C ATOM 478 OG SER A 32 70.787 47.296 40.022 1.00 0.00 O ATOM 0 H SER A 32 69.259 46.386 41.646 1.00 0.00 H new ATOM 0 HA SER A 32 68.572 49.262 41.532 1.00 0.00 H new ATOM 0 HB2 SER A 32 69.507 48.589 39.089 1.00 0.00 H new ATOM 0 HB3 SER A 32 70.492 49.292 40.356 1.00 0.00 H new ATOM 0 HG SER A 32 70.508 46.701 39.295 1.00 0.00 H new ATOM 484 N SER A 33 66.402 48.678 40.361 1.00 0.00 N ATOM 485 CA SER A 33 65.113 48.320 39.736 1.00 0.00 C ATOM 486 C SER A 33 65.192 48.100 38.221 1.00 0.00 C ATOM 487 O SER A 33 64.324 47.443 37.655 1.00 0.00 O ATOM 488 CB SER A 33 64.048 49.379 40.036 1.00 0.00 C ATOM 489 OG SER A 33 64.074 49.718 41.408 1.00 0.00 O ATOM 0 H SER A 33 66.405 49.596 40.806 1.00 0.00 H new ATOM 0 HA SER A 33 64.836 47.365 40.182 1.00 0.00 H new ATOM 0 HB2 SER A 33 64.227 50.267 39.430 1.00 0.00 H new ATOM 0 HB3 SER A 33 63.062 49.001 39.765 1.00 0.00 H new ATOM 0 HG SER A 33 63.391 50.397 41.590 1.00 0.00 H new ATOM 495 N HIS A 34 66.254 48.578 37.562 1.00 0.00 N ATOM 496 CA HIS A 34 66.537 48.308 36.148 1.00 0.00 C ATOM 497 C HIS A 34 66.860 46.832 35.831 1.00 0.00 C ATOM 498 O HIS A 34 66.857 46.409 34.676 1.00 0.00 O ATOM 499 CB HIS A 34 67.694 49.209 35.722 1.00 0.00 C ATOM 500 CG HIS A 34 67.769 49.355 34.228 1.00 0.00 C ATOM 501 ND1 HIS A 34 66.954 50.153 33.460 1.00 0.00 N ATOM 502 CD2 HIS A 34 68.554 48.631 33.374 1.00 0.00 C ATOM 503 CE1 HIS A 34 67.254 49.929 32.171 1.00 0.00 C ATOM 504 NE2 HIS A 34 68.225 49.006 32.064 1.00 0.00 N ATOM 0 H HIS A 34 66.953 49.174 38.005 1.00 0.00 H new ATOM 0 HA HIS A 34 65.628 48.522 35.585 1.00 0.00 H new ATOM 0 HB2 HIS A 34 67.575 50.192 36.177 1.00 0.00 H new ATOM 0 HB3 HIS A 34 68.632 48.796 36.094 1.00 0.00 H new ATOM 0 HD2 HIS A 34 69.296 47.900 33.658 1.00 0.00 H new ATOM 0 HE1 HIS A 34 66.780 50.422 31.335 1.00 0.00 H new ATOM 0 HE2 HIS A 34 68.639 48.650 31.203 1.00 0.00 H new ATOM 512 N SER A 35 67.089 46.026 36.868 1.00 0.00 N ATOM 513 CA SER A 35 67.180 44.584 36.830 1.00 0.00 C ATOM 514 C SER A 35 65.869 43.909 36.428 1.00 0.00 C ATOM 515 O SER A 35 65.835 42.728 36.093 1.00 0.00 O ATOM 516 CB SER A 35 67.577 44.113 38.225 1.00 0.00 C ATOM 517 OG SER A 35 66.567 44.409 39.166 1.00 0.00 O ATOM 0 H SER A 35 67.223 46.395 37.810 1.00 0.00 H new ATOM 0 HA SER A 35 67.916 44.309 36.074 1.00 0.00 H new ATOM 0 HB2 SER A 35 67.762 43.039 38.211 1.00 0.00 H new ATOM 0 HB3 SER A 35 68.509 44.593 38.523 1.00 0.00 H new ATOM 0 HG SER A 35 66.708 45.310 39.525 1.00 0.00 H new ATOM 523 N LYS A 36 64.763 44.644 36.508 1.00 0.00 N ATOM 524 CA LYS A 36 63.411 44.101 36.365 1.00 0.00 C ATOM 525 C LYS A 36 62.873 44.248 34.937 1.00 0.00 C ATOM 526 O LYS A 36 63.103 45.256 34.267 1.00 0.00 O ATOM 527 CB LYS A 36 62.538 44.785 37.431 1.00 0.00 C ATOM 528 CG LYS A 36 61.294 43.979 37.829 1.00 0.00 C ATOM 529 CD LYS A 36 60.536 44.608 39.012 1.00 0.00 C ATOM 530 CE LYS A 36 61.418 44.744 40.266 1.00 0.00 C ATOM 531 NZ LYS A 36 60.632 44.879 41.511 1.00 0.00 N ATOM 0 H LYS A 36 64.779 45.650 36.677 1.00 0.00 H new ATOM 0 HA LYS A 36 63.405 43.024 36.531 1.00 0.00 H new ATOM 0 HB2 LYS A 36 63.142 44.964 38.320 1.00 0.00 H new ATOM 0 HB3 LYS A 36 62.223 45.759 37.058 1.00 0.00 H new ATOM 0 HG2 LYS A 36 60.625 43.904 36.972 1.00 0.00 H new ATOM 0 HG3 LYS A 36 61.592 42.964 38.091 1.00 0.00 H new ATOM 0 HD2 LYS A 36 60.167 45.592 38.722 1.00 0.00 H new ATOM 0 HD3 LYS A 36 59.665 43.997 39.248 1.00 0.00 H new ATOM 0 HE2 LYS A 36 62.066 43.871 40.344 1.00 0.00 H new ATOM 0 HE3 LYS A 36 62.066 45.613 40.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 61.278 44.967 42.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 60.032 45.727 41.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 60.032 44.039 41.636 1.00 0.00 H new ATOM 545 N TYR A 37 62.098 43.261 34.486 1.00 0.00 N ATOM 546 CA TYR A 37 61.256 43.376 33.291 1.00 0.00 C ATOM 547 C TYR A 37 59.841 42.850 33.529 1.00 0.00 C ATOM 548 O TYR A 37 59.538 42.229 34.547 1.00 0.00 O ATOM 549 CB TYR A 37 61.910 42.723 32.061 1.00 0.00 C ATOM 550 CG TYR A 37 62.052 41.210 32.080 1.00 0.00 C ATOM 551 CD1 TYR A 37 63.168 40.600 32.688 1.00 0.00 C ATOM 552 CD2 TYR A 37 61.083 40.411 31.441 1.00 0.00 C ATOM 553 CE1 TYR A 37 63.307 39.197 32.662 1.00 0.00 C ATOM 554 CE2 TYR A 37 61.216 39.010 31.421 1.00 0.00 C ATOM 555 CZ TYR A 37 62.324 38.396 32.042 1.00 0.00 C ATOM 556 OH TYR A 37 62.434 37.039 32.028 1.00 0.00 O ATOM 0 H TYR A 37 62.035 42.351 34.942 1.00 0.00 H new ATOM 0 HA TYR A 37 61.164 44.441 33.076 1.00 0.00 H new ATOM 0 HB2 TYR A 37 61.328 42.998 31.181 1.00 0.00 H new ATOM 0 HB3 TYR A 37 62.903 43.155 31.935 1.00 0.00 H new ATOM 0 HD1 TYR A 37 63.917 41.208 33.174 1.00 0.00 H new ATOM 0 HD2 TYR A 37 60.233 40.876 30.964 1.00 0.00 H new ATOM 0 HE1 TYR A 37 64.169 38.733 33.118 1.00 0.00 H new ATOM 0 HE2 TYR A 37 60.469 38.404 30.930 1.00 0.00 H new ATOM 0 HH TYR A 37 61.665 36.653 31.558 1.00 0.00 H new ATOM 566 N ALA A 38 58.966 43.135 32.569 1.00 0.00 N ATOM 567 CA ALA A 38 57.559 42.744 32.620 1.00 0.00 C ATOM 568 C ALA A 38 57.392 41.245 32.308 1.00 0.00 C ATOM 569 O ALA A 38 57.686 40.798 31.199 1.00 0.00 O ATOM 570 CB ALA A 38 56.759 43.639 31.665 1.00 0.00 C ATOM 0 H ALA A 38 59.216 43.649 31.724 1.00 0.00 H new ATOM 0 HA ALA A 38 57.169 42.887 33.628 1.00 0.00 H new ATOM 0 HB1 ALA A 38 55.707 43.355 31.696 1.00 0.00 H new ATOM 0 HB2 ALA A 38 56.863 44.680 31.970 1.00 0.00 H new ATOM 0 HB3 ALA A 38 57.138 43.518 30.650 1.00 0.00 H new ATOM 576 N HIS A 39 56.904 40.468 33.278 1.00 0.00 N ATOM 577 CA HIS A 39 56.578 39.057 33.103 1.00 0.00 C ATOM 578 C HIS A 39 55.439 38.622 34.034 1.00 0.00 C ATOM 579 O HIS A 39 55.240 39.207 35.096 1.00 0.00 O ATOM 580 CB HIS A 39 57.829 38.184 33.323 1.00 0.00 C ATOM 581 CG HIS A 39 57.857 36.989 32.405 1.00 0.00 C ATOM 582 ND1 HIS A 39 57.676 35.663 32.734 1.00 0.00 N ATOM 583 CD2 HIS A 39 58.051 37.045 31.052 1.00 0.00 C ATOM 584 CE1 HIS A 39 57.760 34.941 31.605 1.00 0.00 C ATOM 585 NE2 HIS A 39 58.005 35.738 30.547 1.00 0.00 N ATOM 0 H HIS A 39 56.723 40.811 34.221 1.00 0.00 H new ATOM 0 HA HIS A 39 56.233 38.919 32.078 1.00 0.00 H new ATOM 0 HB2 HIS A 39 58.723 38.786 33.161 1.00 0.00 H new ATOM 0 HB3 HIS A 39 57.856 37.845 34.359 1.00 0.00 H new ATOM 0 HD2 HIS A 39 58.212 37.942 30.472 1.00 0.00 H new ATOM 0 HE1 HIS A 39 57.647 33.868 31.552 1.00 0.00 H new ATOM 0 HE2 HIS A 39 58.131 35.450 29.577 1.00 0.00 H new ATOM 593 N SER A 40 54.716 37.571 33.646 1.00 0.00 N ATOM 594 CA SER A 40 53.663 36.940 34.437 1.00 0.00 C ATOM 595 C SER A 40 53.863 35.425 34.449 1.00 0.00 C ATOM 596 O SER A 40 53.463 34.734 33.514 1.00 0.00 O ATOM 597 CB SER A 40 52.299 37.372 33.920 1.00 0.00 C ATOM 598 OG SER A 40 51.267 36.990 34.805 1.00 0.00 O ATOM 0 H SER A 40 54.853 37.121 32.741 1.00 0.00 H new ATOM 0 HA SER A 40 53.716 37.267 35.475 1.00 0.00 H new ATOM 0 HB2 SER A 40 52.285 38.454 33.787 1.00 0.00 H new ATOM 0 HB3 SER A 40 52.123 36.928 32.940 1.00 0.00 H new ATOM 0 HG SER A 40 50.403 37.283 34.446 1.00 0.00 H new ATOM 604 N SER A 41 54.580 34.901 35.449 1.00 0.00 N ATOM 605 CA SER A 41 54.916 33.472 35.565 1.00 0.00 C ATOM 606 C SER A 41 55.398 33.105 36.979 1.00 0.00 C ATOM 607 O SER A 41 55.865 33.985 37.706 1.00 0.00 O ATOM 608 CB SER A 41 56.021 33.103 34.552 1.00 0.00 C ATOM 609 OG SER A 41 57.270 33.696 34.869 1.00 0.00 O ATOM 0 H SER A 41 54.951 35.464 36.214 1.00 0.00 H new ATOM 0 HA SER A 41 54.005 32.911 35.355 1.00 0.00 H new ATOM 0 HB2 SER A 41 56.134 32.019 34.522 1.00 0.00 H new ATOM 0 HB3 SER A 41 55.715 33.419 33.555 1.00 0.00 H new ATOM 0 HG SER A 41 57.497 34.364 34.189 1.00 0.00 H new ATOM 615 N PRO A 42 55.395 31.811 37.364 1.00 0.00 N ATOM 616 CA PRO A 42 56.313 31.314 38.392 1.00 0.00 C ATOM 617 C PRO A 42 57.782 31.508 37.962 1.00 0.00 C ATOM 618 O PRO A 42 58.060 31.685 36.773 1.00 0.00 O ATOM 619 CB PRO A 42 55.960 29.833 38.567 1.00 0.00 C ATOM 620 CG PRO A 42 55.451 29.436 37.181 1.00 0.00 C ATOM 621 CD PRO A 42 54.718 30.694 36.714 1.00 0.00 C ATOM 0 HA PRO A 42 56.210 31.858 39.331 1.00 0.00 H new ATOM 0 HB2 PRO A 42 56.828 29.243 38.863 1.00 0.00 H new ATOM 0 HB3 PRO A 42 55.199 29.687 39.334 1.00 0.00 H new ATOM 0 HG2 PRO A 42 56.269 29.172 36.510 1.00 0.00 H new ATOM 0 HG3 PRO A 42 54.786 28.574 37.226 1.00 0.00 H new ATOM 0 HD2 PRO A 42 54.758 30.790 35.629 1.00 0.00 H new ATOM 0 HD3 PRO A 42 53.665 30.659 36.992 1.00 0.00 H new ATOM 629 N TRP A 43 58.702 31.493 38.937 1.00 0.00 N ATOM 630 CA TRP A 43 60.169 31.560 38.781 1.00 0.00 C ATOM 631 C TRP A 43 60.682 32.391 37.577 1.00 0.00 C ATOM 632 O TRP A 43 61.361 31.845 36.699 1.00 0.00 O ATOM 633 CB TRP A 43 60.759 30.141 38.843 1.00 0.00 C ATOM 634 CG TRP A 43 60.375 29.313 40.038 1.00 0.00 C ATOM 635 CD1 TRP A 43 59.987 28.020 39.982 1.00 0.00 C ATOM 636 CD2 TRP A 43 60.343 29.669 41.466 1.00 0.00 C ATOM 637 NE1 TRP A 43 59.709 27.554 41.249 1.00 0.00 N ATOM 638 CE2 TRP A 43 59.876 28.533 42.198 1.00 0.00 C ATOM 639 CE3 TRP A 43 60.646 30.823 42.217 1.00 0.00 C ATOM 640 CZ2 TRP A 43 59.680 28.554 43.588 1.00 0.00 C ATOM 641 CZ3 TRP A 43 60.458 30.856 43.619 1.00 0.00 C ATOM 642 CH2 TRP A 43 59.965 29.730 44.301 1.00 0.00 C ATOM 0 H TRP A 43 58.429 31.430 39.918 1.00 0.00 H new ATOM 0 HA TRP A 43 60.543 32.139 39.626 1.00 0.00 H new ATOM 0 HB2 TRP A 43 60.457 29.605 37.943 1.00 0.00 H new ATOM 0 HB3 TRP A 43 61.846 30.221 38.816 1.00 0.00 H new ATOM 0 HD1 TRP A 43 59.906 27.437 39.077 1.00 0.00 H new ATOM 0 HE1 TRP A 43 59.415 26.599 41.456 1.00 0.00 H new ATOM 0 HE3 TRP A 43 61.029 31.698 41.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 59.315 27.677 44.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 60.695 31.754 44.170 1.00 0.00 H new ATOM 0 HH2 TRP A 43 59.806 29.769 45.369 1.00 0.00 H new ATOM 653 N PRO A 44 60.361 33.701 37.512 1.00 0.00 N ATOM 654 CA PRO A 44 60.831 34.595 36.455 1.00 0.00 C ATOM 655 C PRO A 44 62.339 34.887 36.575 1.00 0.00 C ATOM 656 O PRO A 44 63.045 34.340 37.427 1.00 0.00 O ATOM 657 CB PRO A 44 59.964 35.855 36.603 1.00 0.00 C ATOM 658 CG PRO A 44 59.731 35.927 38.109 1.00 0.00 C ATOM 659 CD PRO A 44 59.569 34.454 38.481 1.00 0.00 C ATOM 0 HA PRO A 44 60.728 34.155 35.463 1.00 0.00 H new ATOM 0 HB2 PRO A 44 60.473 36.743 36.229 1.00 0.00 H new ATOM 0 HB3 PRO A 44 59.027 35.769 36.052 1.00 0.00 H new ATOM 0 HG2 PRO A 44 60.570 36.388 38.629 1.00 0.00 H new ATOM 0 HG3 PRO A 44 58.843 36.509 38.356 1.00 0.00 H new ATOM 0 HD2 PRO A 44 59.917 34.268 39.497 1.00 0.00 H new ATOM 0 HD3 PRO A 44 58.521 34.156 38.444 1.00 0.00 H new ATOM 667 N ALA A 45 62.839 35.770 35.709 1.00 0.00 N ATOM 668 CA ALA A 45 64.225 36.219 35.710 1.00 0.00 C ATOM 669 C ALA A 45 64.346 37.743 35.860 1.00 0.00 C ATOM 670 O ALA A 45 63.385 38.484 35.665 1.00 0.00 O ATOM 671 CB ALA A 45 64.902 35.716 34.431 1.00 0.00 C ATOM 0 H ALA A 45 62.277 36.199 34.974 1.00 0.00 H new ATOM 0 HA ALA A 45 64.732 35.800 36.579 1.00 0.00 H new ATOM 0 HB1 ALA A 45 65.941 36.044 34.416 1.00 0.00 H new ATOM 0 HB2 ALA A 45 64.865 34.627 34.404 1.00 0.00 H new ATOM 0 HB3 ALA A 45 64.382 36.119 33.562 1.00 0.00 H new ATOM 677 N PHE A 46 65.564 38.177 36.163 1.00 0.00 N ATOM 678 CA PHE A 46 66.033 39.567 36.144 1.00 0.00 C ATOM 679 C PHE A 46 67.074 39.745 35.025 1.00 0.00 C ATOM 680 O PHE A 46 67.685 38.773 34.586 1.00 0.00 O ATOM 681 CB PHE A 46 66.561 39.923 37.544 1.00 0.00 C ATOM 682 CG PHE A 46 65.461 40.018 38.593 1.00 0.00 C ATOM 683 CD1 PHE A 46 64.916 38.852 39.166 1.00 0.00 C ATOM 684 CD2 PHE A 46 64.946 41.273 38.970 1.00 0.00 C ATOM 685 CE1 PHE A 46 63.856 38.941 40.088 1.00 0.00 C ATOM 686 CE2 PHE A 46 63.894 41.363 39.898 1.00 0.00 C ATOM 687 CZ PHE A 46 63.347 40.197 40.458 1.00 0.00 C ATOM 0 H PHE A 46 66.300 37.531 36.447 1.00 0.00 H new ATOM 0 HA PHE A 46 65.224 40.261 35.917 1.00 0.00 H new ATOM 0 HB2 PHE A 46 67.286 39.171 37.854 1.00 0.00 H new ATOM 0 HB3 PHE A 46 67.090 40.875 37.495 1.00 0.00 H new ATOM 0 HD1 PHE A 46 65.314 37.885 38.896 1.00 0.00 H new ATOM 0 HD2 PHE A 46 65.362 42.173 38.543 1.00 0.00 H new ATOM 0 HE1 PHE A 46 63.433 38.042 40.512 1.00 0.00 H new ATOM 0 HE2 PHE A 46 63.506 42.330 40.181 1.00 0.00 H new ATOM 0 HZ PHE A 46 62.538 40.266 41.170 1.00 0.00 H new ATOM 697 N THR A 47 67.269 40.957 34.515 1.00 0.00 N ATOM 698 CA THR A 47 68.249 41.251 33.448 1.00 0.00 C ATOM 699 C THR A 47 69.695 41.250 33.933 1.00 0.00 C ATOM 700 O THR A 47 70.592 40.798 33.225 1.00 0.00 O ATOM 701 CB THR A 47 67.995 42.635 32.833 1.00 0.00 C ATOM 702 OG1 THR A 47 67.623 43.558 33.829 1.00 0.00 O ATOM 703 CG2 THR A 47 66.879 42.607 31.791 1.00 0.00 C ATOM 0 H THR A 47 66.751 41.778 34.827 1.00 0.00 H new ATOM 0 HA THR A 47 68.113 40.452 32.720 1.00 0.00 H new ATOM 0 HB THR A 47 68.928 42.932 32.354 1.00 0.00 H new ATOM 0 HG1 THR A 47 67.501 44.443 33.426 1.00 0.00 H new ATOM 0 HG21 THR A 47 66.736 43.608 31.384 1.00 0.00 H new ATOM 0 HG22 THR A 47 67.150 41.924 30.986 1.00 0.00 H new ATOM 0 HG23 THR A 47 65.954 42.269 32.258 1.00 0.00 H new ATOM 711 N GLU A 48 69.911 41.753 35.143 1.00 0.00 N ATOM 712 CA GLU A 48 71.160 41.804 35.883 1.00 0.00 C ATOM 713 C GLU A 48 71.026 41.199 37.284 1.00 0.00 C ATOM 714 O GLU A 48 69.946 40.897 37.788 1.00 0.00 O ATOM 715 CB GLU A 48 71.653 43.259 35.989 1.00 0.00 C ATOM 716 CG GLU A 48 70.604 44.315 36.225 1.00 0.00 C ATOM 717 CD GLU A 48 71.157 45.692 36.611 1.00 0.00 C ATOM 718 OE1 GLU A 48 71.949 46.243 35.815 1.00 0.00 O ATOM 719 OE2 GLU A 48 70.772 46.222 37.683 1.00 0.00 O ATOM 0 H GLU A 48 69.148 42.171 35.675 1.00 0.00 H new ATOM 0 HA GLU A 48 71.887 41.207 35.333 1.00 0.00 H new ATOM 0 HB2 GLU A 48 72.379 43.314 36.800 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.183 43.506 35.069 1.00 0.00 H new ATOM 0 HG2 GLU A 48 70.004 44.420 35.321 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.935 43.973 37.014 1.00 0.00 H new ATOM 726 N THR A 49 72.181 41.099 37.928 1.00 0.00 N ATOM 727 CA THR A 49 72.341 40.790 39.362 1.00 0.00 C ATOM 728 C THR A 49 73.347 41.737 40.020 1.00 0.00 C ATOM 729 O THR A 49 74.439 41.949 39.498 1.00 0.00 O ATOM 730 CB THR A 49 72.737 39.327 39.625 1.00 0.00 C ATOM 731 OG1 THR A 49 73.711 38.869 38.716 1.00 0.00 O ATOM 732 CG2 THR A 49 71.541 38.386 39.541 1.00 0.00 C ATOM 0 H THR A 49 73.075 41.235 37.456 1.00 0.00 H new ATOM 0 HA THR A 49 71.360 40.939 39.813 1.00 0.00 H new ATOM 0 HB THR A 49 73.144 39.317 40.636 1.00 0.00 H new ATOM 0 HG1 THR A 49 73.306 38.223 38.101 1.00 0.00 H new ATOM 0 HG21 THR A 49 71.868 37.364 39.733 1.00 0.00 H new ATOM 0 HG22 THR A 49 70.798 38.675 40.284 1.00 0.00 H new ATOM 0 HG23 THR A 49 71.101 38.445 38.545 1.00 0.00 H new ATOM 740 N ILE A 50 72.975 42.316 41.169 1.00 0.00 N ATOM 741 CA ILE A 50 73.640 43.487 41.764 1.00 0.00 C ATOM 742 C ILE A 50 74.765 43.131 42.751 1.00 0.00 C ATOM 743 O ILE A 50 75.575 43.980 43.121 1.00 0.00 O ATOM 744 CB ILE A 50 72.567 44.374 42.426 1.00 0.00 C ATOM 745 CG1 ILE A 50 71.277 44.531 41.581 1.00 0.00 C ATOM 746 CG2 ILE A 50 73.097 45.788 42.738 1.00 0.00 C ATOM 747 CD1 ILE A 50 70.201 43.452 41.783 1.00 0.00 C ATOM 0 H ILE A 50 72.188 41.978 41.723 1.00 0.00 H new ATOM 0 HA ILE A 50 74.141 44.030 40.962 1.00 0.00 H new ATOM 0 HB ILE A 50 72.319 43.846 43.347 1.00 0.00 H new ATOM 0 HG12 ILE A 50 70.836 45.502 41.806 1.00 0.00 H new ATOM 0 HG13 ILE A 50 71.556 44.544 40.527 1.00 0.00 H new ATOM 0 HG21 ILE A 50 72.307 46.378 43.203 1.00 0.00 H new ATOM 0 HG22 ILE A 50 73.946 45.717 43.418 1.00 0.00 H new ATOM 0 HG23 ILE A 50 73.413 46.270 41.813 1.00 0.00 H new ATOM 0 HD11 ILE A 50 69.346 43.666 41.141 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.612 42.476 41.527 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.880 43.448 42.825 1.00 0.00 H new ATOM 759 N HIS A 51 74.819 41.876 43.193 1.00 0.00 N ATOM 760 CA HIS A 51 75.852 41.372 44.112 1.00 0.00 C ATOM 761 C HIS A 51 77.288 41.643 43.591 1.00 0.00 C ATOM 762 O HIS A 51 77.520 41.535 42.384 1.00 0.00 O ATOM 763 CB HIS A 51 75.627 39.871 44.378 1.00 0.00 C ATOM 764 CG HIS A 51 75.284 39.567 45.815 1.00 0.00 C ATOM 765 ND1 HIS A 51 74.070 39.782 46.431 1.00 0.00 N ATOM 766 CD2 HIS A 51 76.132 39.065 46.766 1.00 0.00 C ATOM 767 CE1 HIS A 51 74.189 39.427 47.722 1.00 0.00 C ATOM 768 NE2 HIS A 51 75.434 38.998 47.971 1.00 0.00 N ATOM 0 H HIS A 51 74.139 41.166 42.922 1.00 0.00 H new ATOM 0 HA HIS A 51 75.759 41.917 45.051 1.00 0.00 H new ATOM 0 HB2 HIS A 51 74.823 39.511 43.735 1.00 0.00 H new ATOM 0 HB3 HIS A 51 76.526 39.321 44.102 1.00 0.00 H new ATOM 0 HD2 HIS A 51 77.160 38.773 46.610 1.00 0.00 H new ATOM 0 HE1 HIS A 51 73.396 39.480 48.453 1.00 0.00 H new ATOM 0 HE2 HIS A 51 75.800 38.683 48.869 1.00 0.00 H new ATOM 776 N PRO A 52 78.256 41.989 44.466 1.00 0.00 N ATOM 777 CA PRO A 52 79.599 42.414 44.060 1.00 0.00 C ATOM 778 C PRO A 52 80.408 41.296 43.389 1.00 0.00 C ATOM 779 O PRO A 52 80.271 40.127 43.711 1.00 0.00 O ATOM 780 CB PRO A 52 80.281 42.919 45.338 1.00 0.00 C ATOM 781 CG PRO A 52 79.563 42.149 46.445 1.00 0.00 C ATOM 782 CD PRO A 52 78.134 42.064 45.914 1.00 0.00 C ATOM 0 HA PRO A 52 79.536 43.193 43.300 1.00 0.00 H new ATOM 0 HB2 PRO A 52 81.351 42.712 45.332 1.00 0.00 H new ATOM 0 HB3 PRO A 52 80.166 43.996 45.457 1.00 0.00 H new ATOM 0 HG2 PRO A 52 79.998 41.162 46.600 1.00 0.00 H new ATOM 0 HG3 PRO A 52 79.611 42.672 47.400 1.00 0.00 H new ATOM 0 HD2 PRO A 52 77.621 41.188 46.310 1.00 0.00 H new ATOM 0 HD3 PRO A 52 77.553 42.936 46.213 1.00 0.00 H new ATOM 790 N ASP A 53 81.362 41.669 42.544 1.00 0.00 N ATOM 791 CA ASP A 53 82.205 40.854 41.647 1.00 0.00 C ATOM 792 C ASP A 53 83.247 39.984 42.383 1.00 0.00 C ATOM 793 O ASP A 53 84.108 39.342 41.782 1.00 0.00 O ATOM 794 CB ASP A 53 82.849 41.800 40.617 1.00 0.00 C ATOM 795 CG ASP A 53 83.600 42.943 41.301 1.00 0.00 C ATOM 796 OD1 ASP A 53 82.929 43.860 41.839 1.00 0.00 O ATOM 797 OD2 ASP A 53 84.845 42.892 41.399 1.00 0.00 O ATOM 0 H ASP A 53 81.597 42.657 42.453 1.00 0.00 H new ATOM 0 HA ASP A 53 81.572 40.123 41.144 1.00 0.00 H new ATOM 0 HB2 ASP A 53 83.537 41.238 39.985 1.00 0.00 H new ATOM 0 HB3 ASP A 53 82.078 42.209 39.964 1.00 0.00 H new ATOM 802 N SER A 54 83.126 39.946 43.706 1.00 0.00 N ATOM 803 CA SER A 54 83.687 38.912 44.587 1.00 0.00 C ATOM 804 C SER A 54 82.905 37.591 44.624 1.00 0.00 C ATOM 805 O SER A 54 83.370 36.592 45.172 1.00 0.00 O ATOM 806 CB SER A 54 83.769 39.458 46.006 1.00 0.00 C ATOM 807 OG SER A 54 85.024 40.066 46.235 1.00 0.00 O ATOM 0 H SER A 54 82.614 40.662 44.221 1.00 0.00 H new ATOM 0 HA SER A 54 84.666 38.676 44.170 1.00 0.00 H new ATOM 0 HB2 SER A 54 82.972 40.184 46.168 1.00 0.00 H new ATOM 0 HB3 SER A 54 83.615 38.650 46.721 1.00 0.00 H new ATOM 0 HG SER A 54 85.057 40.412 47.151 1.00 0.00 H new ATOM 813 N VAL A 55 81.701 37.596 44.069 1.00 0.00 N ATOM 814 CA VAL A 55 80.883 36.405 43.815 1.00 0.00 C ATOM 815 C VAL A 55 81.410 35.602 42.626 1.00 0.00 C ATOM 816 O VAL A 55 82.295 36.017 41.875 1.00 0.00 O ATOM 817 CB VAL A 55 79.380 36.725 43.664 1.00 0.00 C ATOM 818 CG1 VAL A 55 78.831 37.421 44.914 1.00 0.00 C ATOM 819 CG2 VAL A 55 79.034 37.480 42.375 1.00 0.00 C ATOM 0 H VAL A 55 81.245 38.458 43.770 1.00 0.00 H new ATOM 0 HA VAL A 55 80.973 35.780 44.704 1.00 0.00 H new ATOM 0 HB VAL A 55 78.874 35.764 43.569 1.00 0.00 H new ATOM 0 HG11 VAL A 55 77.771 37.633 44.776 1.00 0.00 H new ATOM 0 HG12 VAL A 55 78.962 36.771 45.779 1.00 0.00 H new ATOM 0 HG13 VAL A 55 79.369 38.355 45.077 1.00 0.00 H new ATOM 0 HG21 VAL A 55 77.961 37.669 42.341 1.00 0.00 H new ATOM 0 HG22 VAL A 55 79.570 38.429 42.354 1.00 0.00 H new ATOM 0 HG23 VAL A 55 79.325 36.880 41.513 1.00 0.00 H new ATOM 829 N THR A 56 80.867 34.401 42.483 1.00 0.00 N ATOM 830 CA THR A 56 81.319 33.385 41.527 1.00 0.00 C ATOM 831 C THR A 56 80.160 32.618 40.916 1.00 0.00 C ATOM 832 O THR A 56 79.087 32.501 41.497 1.00 0.00 O ATOM 833 CB THR A 56 82.321 32.443 42.203 1.00 0.00 C ATOM 834 OG1 THR A 56 82.790 31.461 41.315 1.00 0.00 O ATOM 835 CG2 THR A 56 81.788 31.713 43.439 1.00 0.00 C ATOM 0 H THR A 56 80.074 34.092 43.045 1.00 0.00 H new ATOM 0 HA THR A 56 81.818 33.895 40.703 1.00 0.00 H new ATOM 0 HB THR A 56 83.119 33.114 42.521 1.00 0.00 H new ATOM 0 HG1 THR A 56 83.428 30.879 41.778 1.00 0.00 H new ATOM 0 HG21 THR A 56 82.568 31.071 43.847 1.00 0.00 H new ATOM 0 HG22 THR A 56 81.488 32.443 44.191 1.00 0.00 H new ATOM 0 HG23 THR A 56 80.927 31.105 43.160 1.00 0.00 H new ATOM 843 N LYS A 57 80.363 32.064 39.727 1.00 0.00 N ATOM 844 CA LYS A 57 79.437 31.159 39.081 1.00 0.00 C ATOM 845 C LYS A 57 80.104 29.943 38.469 1.00 0.00 C ATOM 846 O LYS A 57 81.269 29.973 38.079 1.00 0.00 O ATOM 847 CB LYS A 57 78.623 31.902 38.047 1.00 0.00 C ATOM 848 CG LYS A 57 79.200 33.040 37.225 1.00 0.00 C ATOM 849 CD LYS A 57 80.425 32.722 36.366 1.00 0.00 C ATOM 850 CE LYS A 57 80.632 33.887 35.393 1.00 0.00 C ATOM 851 NZ LYS A 57 81.901 33.757 34.646 1.00 0.00 N ATOM 0 H LYS A 57 81.202 32.241 39.175 1.00 0.00 H new ATOM 0 HA LYS A 57 78.779 30.776 39.861 1.00 0.00 H new ATOM 0 HB2 LYS A 57 78.262 31.156 37.339 1.00 0.00 H new ATOM 0 HB3 LYS A 57 77.750 32.301 38.564 1.00 0.00 H new ATOM 0 HG2 LYS A 57 78.415 33.417 36.570 1.00 0.00 H new ATOM 0 HG3 LYS A 57 79.464 33.850 37.905 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.306 32.587 36.993 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.277 31.790 35.820 1.00 0.00 H new ATOM 0 HE2 LYS A 57 79.799 33.927 34.691 1.00 0.00 H new ATOM 0 HE3 LYS A 57 80.629 34.827 35.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 82.006 34.563 33.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 82.698 33.744 35.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 81.893 32.872 34.100 1.00 0.00 H new ATOM 865 N CYS A 58 79.306 28.897 38.325 1.00 0.00 N ATOM 866 CA CYS A 58 79.724 27.615 37.767 1.00 0.00 C ATOM 867 C CYS A 58 78.697 26.999 36.789 1.00 0.00 C ATOM 868 O CYS A 58 77.504 27.300 36.855 1.00 0.00 O ATOM 869 CB CYS A 58 80.131 26.694 38.928 1.00 0.00 C ATOM 870 SG CYS A 58 78.940 26.647 40.300 1.00 0.00 S ATOM 0 H CYS A 58 78.324 28.914 38.599 1.00 0.00 H new ATOM 0 HA CYS A 58 80.593 27.766 37.127 1.00 0.00 H new ATOM 0 HB2 CYS A 58 80.265 25.683 38.544 1.00 0.00 H new ATOM 0 HB3 CYS A 58 81.098 27.019 39.313 1.00 0.00 H new ATOM 0 HG CYS A 58 79.374 25.842 41.224 1.00 0.00 H new ATOM 876 N PRO A 59 79.131 26.160 35.832 1.00 0.00 N ATOM 877 CA PRO A 59 78.233 25.563 34.849 1.00 0.00 C ATOM 878 C PRO A 59 77.372 24.426 35.405 1.00 0.00 C ATOM 879 O PRO A 59 77.745 23.708 36.336 1.00 0.00 O ATOM 880 CB PRO A 59 79.126 25.073 33.710 1.00 0.00 C ATOM 881 CG PRO A 59 80.459 24.792 34.404 1.00 0.00 C ATOM 882 CD PRO A 59 80.515 25.850 35.507 1.00 0.00 C ATOM 0 HA PRO A 59 77.508 26.307 34.518 1.00 0.00 H new ATOM 0 HB2 PRO A 59 78.721 24.177 33.238 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.230 25.825 32.928 1.00 0.00 H new ATOM 0 HG2 PRO A 59 80.494 23.782 34.814 1.00 0.00 H new ATOM 0 HG3 PRO A 59 81.298 24.885 33.715 1.00 0.00 H new ATOM 0 HD2 PRO A 59 81.047 25.475 36.381 1.00 0.00 H new ATOM 0 HD3 PRO A 59 81.046 26.740 35.168 1.00 0.00 H new ATOM 890 N GLU A 60 76.227 24.239 34.758 1.00 0.00 N ATOM 891 CA GLU A 60 75.406 23.037 34.867 1.00 0.00 C ATOM 892 C GLU A 60 75.995 21.794 34.170 1.00 0.00 C ATOM 893 O GLU A 60 77.009 21.826 33.467 1.00 0.00 O ATOM 894 CB GLU A 60 73.995 23.316 34.342 1.00 0.00 C ATOM 895 CG GLU A 60 73.200 24.295 35.197 1.00 0.00 C ATOM 896 CD GLU A 60 72.565 23.572 36.386 1.00 0.00 C ATOM 897 OE1 GLU A 60 73.284 22.921 37.182 1.00 0.00 O ATOM 898 OE2 GLU A 60 71.315 23.613 36.478 1.00 0.00 O ATOM 0 H GLU A 60 75.833 24.937 34.127 1.00 0.00 H new ATOM 0 HA GLU A 60 75.378 22.793 35.929 1.00 0.00 H new ATOM 0 HB2 GLU A 60 74.067 23.710 33.328 1.00 0.00 H new ATOM 0 HB3 GLU A 60 73.448 22.375 34.281 1.00 0.00 H new ATOM 0 HG2 GLU A 60 73.854 25.090 35.554 1.00 0.00 H new ATOM 0 HG3 GLU A 60 72.424 24.767 34.594 1.00 0.00 H new ATOM 905 N LYS A 61 75.320 20.659 34.396 1.00 0.00 N ATOM 906 CA LYS A 61 75.697 19.314 33.959 1.00 0.00 C ATOM 907 C LYS A 61 74.709 18.699 32.981 1.00 0.00 C ATOM 908 O LYS A 61 75.061 18.198 31.918 1.00 0.00 O ATOM 909 CB LYS A 61 75.959 18.401 35.165 1.00 0.00 C ATOM 910 CG LYS A 61 75.125 18.708 36.410 1.00 0.00 C ATOM 911 CD LYS A 61 75.799 19.746 37.318 1.00 0.00 C ATOM 912 CE LYS A 61 74.848 20.271 38.400 1.00 0.00 C ATOM 913 NZ LYS A 61 74.562 19.267 39.449 1.00 0.00 N ATOM 0 H LYS A 61 74.445 20.658 34.920 1.00 0.00 H new ATOM 0 HA LYS A 61 76.628 19.416 33.402 1.00 0.00 H new ATOM 0 HB2 LYS A 61 75.771 17.370 34.867 1.00 0.00 H new ATOM 0 HB3 LYS A 61 77.014 18.469 35.429 1.00 0.00 H new ATOM 0 HG2 LYS A 61 74.144 19.075 36.107 1.00 0.00 H new ATOM 0 HG3 LYS A 61 74.961 17.788 36.972 1.00 0.00 H new ATOM 0 HD2 LYS A 61 76.674 19.300 37.791 1.00 0.00 H new ATOM 0 HD3 LYS A 61 76.154 20.580 36.713 1.00 0.00 H new ATOM 0 HE2 LYS A 61 75.284 21.157 38.861 1.00 0.00 H new ATOM 0 HE3 LYS A 61 73.912 20.581 37.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 73.915 19.675 40.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 74.120 18.430 39.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 75.449 18.989 39.915 1.00 0.00 H new ATOM 927 N ASN A 62 73.441 18.825 33.331 1.00 0.00 N ATOM 928 CA ASN A 62 72.286 18.457 32.529 1.00 0.00 C ATOM 929 C ASN A 62 71.710 19.630 31.732 1.00 0.00 C ATOM 930 O ASN A 62 70.731 19.442 31.016 1.00 0.00 O ATOM 931 CB ASN A 62 71.277 17.754 33.454 1.00 0.00 C ATOM 932 CG ASN A 62 71.018 18.488 34.763 1.00 0.00 C ATOM 933 OD1 ASN A 62 71.314 19.663 34.923 1.00 0.00 O ATOM 934 ND2 ASN A 62 70.550 17.797 35.770 1.00 0.00 N ATOM 0 H ASN A 62 73.174 19.210 34.237 1.00 0.00 H new ATOM 0 HA ASN A 62 72.580 17.759 31.745 1.00 0.00 H new ATOM 0 HB2 ASN A 62 70.333 17.637 32.922 1.00 0.00 H new ATOM 0 HB3 ASN A 62 71.643 16.752 33.678 1.00 0.00 H new ATOM 0 HD21 ASN A 62 70.434 18.239 36.682 1.00 0.00 H new ATOM 0 HD22 ASN A 62 70.301 16.816 35.643 1.00 0.00 H new ATOM 941 N ARG A 63 72.323 20.820 31.811 1.00 0.00 N ATOM 942 CA ARG A 63 71.906 22.015 31.086 1.00 0.00 C ATOM 943 C ARG A 63 73.083 22.711 30.393 1.00 0.00 C ATOM 944 O ARG A 63 73.611 23.676 30.936 1.00 0.00 O ATOM 945 CB ARG A 63 71.087 22.955 31.990 1.00 0.00 C ATOM 946 CG ARG A 63 69.925 22.224 32.670 1.00 0.00 C ATOM 947 CD ARG A 63 68.834 23.153 33.208 1.00 0.00 C ATOM 948 NE ARG A 63 69.275 23.864 34.420 1.00 0.00 N ATOM 949 CZ ARG A 63 68.614 24.788 35.088 1.00 0.00 C ATOM 950 NH1 ARG A 63 67.475 25.291 34.706 1.00 0.00 N ATOM 951 NH2 ARG A 63 69.126 25.211 36.198 1.00 0.00 N ATOM 0 H ARG A 63 73.143 20.975 32.398 1.00 0.00 H new ATOM 0 HA ARG A 63 71.241 21.703 30.281 1.00 0.00 H new ATOM 0 HB2 ARG A 63 71.739 23.387 32.750 1.00 0.00 H new ATOM 0 HB3 ARG A 63 70.698 23.782 31.396 1.00 0.00 H new ATOM 0 HG2 ARG A 63 69.478 21.531 31.957 1.00 0.00 H new ATOM 0 HG3 ARG A 63 70.317 21.626 33.493 1.00 0.00 H new ATOM 0 HD2 ARG A 63 68.561 23.877 32.440 1.00 0.00 H new ATOM 0 HD3 ARG A 63 67.939 22.572 33.432 1.00 0.00 H new ATOM 0 HE ARG A 63 70.195 23.613 34.783 1.00 0.00 H new ATOM 0 HH11 ARG A 63 67.041 24.971 33.840 1.00 0.00 H new ATOM 0 HH12 ARG A 63 67.017 26.005 35.273 1.00 0.00 H new ATOM 0 HH21 ARG A 63 70.013 24.830 36.529 1.00 0.00 H new ATOM 0 HH22 ARG A 63 68.643 25.926 36.743 1.00 0.00 H new ATOM 965 N PRO A 64 73.491 22.272 29.188 1.00 0.00 N ATOM 966 CA PRO A 64 74.577 22.882 28.407 1.00 0.00 C ATOM 967 C PRO A 64 74.185 24.241 27.784 1.00 0.00 C ATOM 968 O PRO A 64 74.458 24.524 26.619 1.00 0.00 O ATOM 969 CB PRO A 64 74.967 21.803 27.385 1.00 0.00 C ATOM 970 CG PRO A 64 73.645 21.084 27.121 1.00 0.00 C ATOM 971 CD PRO A 64 72.974 21.098 28.494 1.00 0.00 C ATOM 0 HA PRO A 64 75.430 23.157 29.027 1.00 0.00 H new ATOM 0 HB2 PRO A 64 75.378 22.239 26.475 1.00 0.00 H new ATOM 0 HB3 PRO A 64 75.722 21.125 27.782 1.00 0.00 H new ATOM 0 HG2 PRO A 64 73.045 21.601 26.372 1.00 0.00 H new ATOM 0 HG3 PRO A 64 73.802 20.068 26.758 1.00 0.00 H new ATOM 0 HD2 PRO A 64 71.890 21.150 28.397 1.00 0.00 H new ATOM 0 HD3 PRO A 64 73.201 20.187 29.048 1.00 0.00 H new ATOM 979 N GLU A 65 73.450 25.059 28.538 1.00 0.00 N ATOM 980 CA GLU A 65 72.832 26.320 28.150 1.00 0.00 C ATOM 981 C GLU A 65 72.729 27.323 29.321 1.00 0.00 C ATOM 982 O GLU A 65 72.149 28.399 29.199 1.00 0.00 O ATOM 983 CB GLU A 65 71.448 26.077 27.504 1.00 0.00 C ATOM 984 CG GLU A 65 70.994 24.656 27.197 1.00 0.00 C ATOM 985 CD GLU A 65 69.885 24.599 26.146 1.00 0.00 C ATOM 986 OE1 GLU A 65 68.737 25.015 26.423 1.00 0.00 O ATOM 987 OE2 GLU A 65 70.156 24.114 25.018 1.00 0.00 O ATOM 0 H GLU A 65 73.258 24.835 29.514 1.00 0.00 H new ATOM 0 HA GLU A 65 73.488 26.776 27.409 1.00 0.00 H new ATOM 0 HB2 GLU A 65 70.700 26.522 28.160 1.00 0.00 H new ATOM 0 HB3 GLU A 65 71.424 26.635 26.568 1.00 0.00 H new ATOM 0 HG2 GLU A 65 71.848 24.075 26.849 1.00 0.00 H new ATOM 0 HG3 GLU A 65 70.642 24.186 28.115 1.00 0.00 H new ATOM 994 N ALA A 66 73.259 26.951 30.488 1.00 0.00 N ATOM 995 CA ALA A 66 72.988 27.610 31.755 1.00 0.00 C ATOM 996 C ALA A 66 74.137 27.476 32.761 1.00 0.00 C ATOM 997 O ALA A 66 74.802 26.442 32.872 1.00 0.00 O ATOM 998 CB ALA A 66 71.694 27.028 32.340 1.00 0.00 C ATOM 0 H ALA A 66 73.903 26.164 30.574 1.00 0.00 H new ATOM 0 HA ALA A 66 72.880 28.677 31.563 1.00 0.00 H new ATOM 0 HB1 ALA A 66 71.475 27.512 33.292 1.00 0.00 H new ATOM 0 HB2 ALA A 66 70.871 27.202 31.647 1.00 0.00 H new ATOM 0 HB3 ALA A 66 71.816 25.956 32.497 1.00 0.00 H new ATOM 1004 N LEU A 67 74.305 28.537 33.541 1.00 0.00 N ATOM 1005 CA LEU A 67 75.140 28.575 34.737 1.00 0.00 C ATOM 1006 C LEU A 67 74.286 28.700 36.003 1.00 0.00 C ATOM 1007 O LEU A 67 73.268 29.395 36.050 1.00 0.00 O ATOM 1008 CB LEU A 67 76.190 29.703 34.677 1.00 0.00 C ATOM 1009 CG LEU A 67 77.365 29.461 33.710 1.00 0.00 C ATOM 1010 CD1 LEU A 67 77.027 29.789 32.256 1.00 0.00 C ATOM 1011 CD2 LEU A 67 78.544 30.340 34.120 1.00 0.00 C ATOM 0 H LEU A 67 73.847 29.428 33.351 1.00 0.00 H new ATOM 0 HA LEU A 67 75.680 27.629 34.776 1.00 0.00 H new ATOM 0 HB2 LEU A 67 75.689 30.627 34.389 1.00 0.00 H new ATOM 0 HB3 LEU A 67 76.592 29.856 35.679 1.00 0.00 H new ATOM 0 HG LEU A 67 77.602 28.399 33.772 1.00 0.00 H new ATOM 0 HD11 LEU A 67 77.897 29.597 31.628 1.00 0.00 H new ATOM 0 HD12 LEU A 67 76.196 29.165 31.926 1.00 0.00 H new ATOM 0 HD13 LEU A 67 76.746 30.839 32.176 1.00 0.00 H new ATOM 0 HD21 LEU A 67 79.378 30.172 33.438 1.00 0.00 H new ATOM 0 HD22 LEU A 67 78.248 31.388 34.079 1.00 0.00 H new ATOM 0 HD23 LEU A 67 78.849 30.088 35.136 1.00 0.00 H new ATOM 1023 N LYS A 68 74.764 28.056 37.061 1.00 0.00 N ATOM 1024 CA LYS A 68 74.357 28.275 38.459 1.00 0.00 C ATOM 1025 C LYS A 68 75.326 29.272 39.117 1.00 0.00 C ATOM 1026 O LYS A 68 76.541 29.129 38.995 1.00 0.00 O ATOM 1027 CB LYS A 68 74.279 26.917 39.187 1.00 0.00 C ATOM 1028 CG LYS A 68 75.461 26.004 38.857 1.00 0.00 C ATOM 1029 CD LYS A 68 75.451 24.820 39.791 1.00 0.00 C ATOM 1030 CE LYS A 68 76.769 24.066 39.576 1.00 0.00 C ATOM 1031 NZ LYS A 68 77.269 23.433 40.816 1.00 0.00 N ATOM 0 H LYS A 68 75.478 27.333 36.973 1.00 0.00 H new ATOM 0 HA LYS A 68 73.363 28.717 38.517 1.00 0.00 H new ATOM 0 HB2 LYS A 68 74.246 27.087 40.263 1.00 0.00 H new ATOM 0 HB3 LYS A 68 73.350 26.416 38.915 1.00 0.00 H new ATOM 0 HG2 LYS A 68 75.397 25.666 37.823 1.00 0.00 H new ATOM 0 HG3 LYS A 68 76.398 26.552 38.956 1.00 0.00 H new ATOM 0 HD2 LYS A 68 75.359 25.147 40.827 1.00 0.00 H new ATOM 0 HD3 LYS A 68 74.599 24.173 39.584 1.00 0.00 H new ATOM 0 HE2 LYS A 68 76.625 23.300 38.814 1.00 0.00 H new ATOM 0 HE3 LYS A 68 77.521 24.757 39.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 78.161 22.937 40.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 77.433 24.164 41.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 76.565 22.753 41.167 1.00 0.00 H new ATOM 1045 N VAL A 69 74.820 30.298 39.798 1.00 0.00 N ATOM 1046 CA VAL A 69 75.636 31.402 40.329 1.00 0.00 C ATOM 1047 C VAL A 69 75.542 31.468 41.852 1.00 0.00 C ATOM 1048 O VAL A 69 74.444 31.477 42.414 1.00 0.00 O ATOM 1049 CB VAL A 69 75.201 32.758 39.735 1.00 0.00 C ATOM 1050 CG1 VAL A 69 76.182 33.858 40.154 1.00 0.00 C ATOM 1051 CG2 VAL A 69 75.018 32.751 38.210 1.00 0.00 C ATOM 0 H VAL A 69 73.825 30.393 40.002 1.00 0.00 H new ATOM 0 HA VAL A 69 76.668 31.204 40.040 1.00 0.00 H new ATOM 0 HB VAL A 69 74.213 32.962 40.147 1.00 0.00 H new ATOM 0 HG11 VAL A 69 75.864 34.810 39.729 1.00 0.00 H new ATOM 0 HG12 VAL A 69 76.200 33.934 41.241 1.00 0.00 H new ATOM 0 HG13 VAL A 69 77.180 33.613 39.791 1.00 0.00 H new ATOM 0 HG21 VAL A 69 74.712 33.742 37.876 1.00 0.00 H new ATOM 0 HG22 VAL A 69 75.960 32.481 37.732 1.00 0.00 H new ATOM 0 HG23 VAL A 69 74.252 32.024 37.939 1.00 0.00 H new ATOM 1061 N SER A 70 76.678 31.571 42.540 1.00 0.00 N ATOM 1062 CA SER A 70 76.677 31.700 44.013 1.00 0.00 C ATOM 1063 C SER A 70 77.436 32.889 44.597 1.00 0.00 C ATOM 1064 O SER A 70 78.476 33.338 44.116 1.00 0.00 O ATOM 1065 CB SER A 70 77.065 30.402 44.720 1.00 0.00 C ATOM 1066 OG SER A 70 78.322 29.900 44.315 1.00 0.00 O ATOM 0 H SER A 70 77.606 31.569 42.116 1.00 0.00 H new ATOM 0 HA SER A 70 75.630 31.920 44.223 1.00 0.00 H new ATOM 0 HB2 SER A 70 77.079 30.573 45.796 1.00 0.00 H new ATOM 0 HB3 SER A 70 76.301 29.649 44.527 1.00 0.00 H new ATOM 0 HG SER A 70 78.516 29.072 44.802 1.00 0.00 H new ATOM 1072 N CYS A 71 76.918 33.357 45.737 1.00 0.00 N ATOM 1073 CA CYS A 71 77.629 34.286 46.587 1.00 0.00 C ATOM 1074 C CYS A 71 78.666 33.459 47.354 1.00 0.00 C ATOM 1075 O CYS A 71 78.415 32.954 48.441 1.00 0.00 O ATOM 1076 CB CYS A 71 76.621 35.045 47.460 1.00 0.00 C ATOM 1077 SG CYS A 71 77.536 36.146 48.581 1.00 0.00 S ATOM 0 H CYS A 71 75.996 33.097 46.086 1.00 0.00 H new ATOM 0 HA CYS A 71 78.163 35.064 46.042 1.00 0.00 H new ATOM 0 HB2 CYS A 71 75.940 35.623 46.835 1.00 0.00 H new ATOM 0 HB3 CYS A 71 76.013 34.344 48.032 1.00 0.00 H new ATOM 0 HG CYS A 71 77.809 35.513 49.683 1.00 0.00 H new ATOM 1082 N GLY A 72 79.798 33.185 46.715 1.00 0.00 N ATOM 1083 CA GLY A 72 80.807 32.299 47.298 1.00 0.00 C ATOM 1084 C GLY A 72 81.502 32.887 48.531 1.00 0.00 C ATOM 1085 O GLY A 72 82.112 32.124 49.281 1.00 0.00 O ATOM 0 H GLY A 72 80.042 33.560 45.798 1.00 0.00 H new ATOM 0 HA2 GLY A 72 80.335 31.356 47.573 1.00 0.00 H new ATOM 0 HA3 GLY A 72 81.558 32.071 46.542 1.00 0.00 H new ATOM 1089 N LYS A 73 81.359 34.196 48.787 1.00 0.00 N ATOM 1090 CA LYS A 73 81.819 34.884 49.993 1.00 0.00 C ATOM 1091 C LYS A 73 81.077 34.404 51.241 1.00 0.00 C ATOM 1092 O LYS A 73 81.713 33.901 52.168 1.00 0.00 O ATOM 1093 CB LYS A 73 81.631 36.390 49.810 1.00 0.00 C ATOM 1094 CG LYS A 73 82.860 37.156 49.312 1.00 0.00 C ATOM 1095 CD LYS A 73 83.805 37.420 50.489 1.00 0.00 C ATOM 1096 CE LYS A 73 83.350 38.572 51.398 1.00 0.00 C ATOM 1097 NZ LYS A 73 84.403 38.911 52.383 1.00 0.00 N ATOM 0 H LYS A 73 80.900 34.826 48.129 1.00 0.00 H new ATOM 0 HA LYS A 73 82.874 34.654 50.140 1.00 0.00 H new ATOM 0 HB2 LYS A 73 80.814 36.553 49.107 1.00 0.00 H new ATOM 0 HB3 LYS A 73 81.321 36.818 50.763 1.00 0.00 H new ATOM 0 HG2 LYS A 73 83.373 36.581 48.541 1.00 0.00 H new ATOM 0 HG3 LYS A 73 82.555 38.099 48.857 1.00 0.00 H new ATOM 0 HD2 LYS A 73 83.892 36.511 51.085 1.00 0.00 H new ATOM 0 HD3 LYS A 73 84.799 37.644 50.102 1.00 0.00 H new ATOM 0 HE2 LYS A 73 83.116 39.448 50.793 1.00 0.00 H new ATOM 0 HE3 LYS A 73 82.435 38.291 51.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 84.075 39.692 52.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 84.607 38.079 52.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 85.267 39.201 51.882 1.00 0.00 H new ATOM 1111 N CYS A 74 79.755 34.518 51.238 1.00 0.00 N ATOM 1112 CA CYS A 74 78.865 34.176 52.324 1.00 0.00 C ATOM 1113 C CYS A 74 78.329 32.731 52.195 1.00 0.00 C ATOM 1114 O CYS A 74 77.806 32.171 53.161 1.00 0.00 O ATOM 1115 CB CYS A 74 77.828 35.297 52.333 1.00 0.00 C ATOM 1116 SG CYS A 74 76.924 35.464 50.768 1.00 0.00 S ATOM 0 H CYS A 74 79.252 34.874 50.425 1.00 0.00 H new ATOM 0 HA CYS A 74 79.348 34.133 53.300 1.00 0.00 H new ATOM 0 HB2 CYS A 74 77.115 35.114 53.137 1.00 0.00 H new ATOM 0 HB3 CYS A 74 78.327 36.240 52.557 1.00 0.00 H new ATOM 0 HG CYS A 74 77.470 36.399 50.049 1.00 0.00 H new ATOM 1121 N GLY A 75 78.553 32.127 51.030 1.00 0.00 N ATOM 1122 CA GLY A 75 78.401 30.713 50.735 1.00 0.00 C ATOM 1123 C GLY A 75 77.009 30.322 50.230 1.00 0.00 C ATOM 1124 O GLY A 75 76.512 29.253 50.587 1.00 0.00 O ATOM 0 H GLY A 75 78.867 32.653 50.214 1.00 0.00 H new ATOM 0 HA2 GLY A 75 79.140 30.428 49.986 1.00 0.00 H new ATOM 0 HA3 GLY A 75 78.623 30.140 51.635 1.00 0.00 H new ATOM 1128 N ASN A 76 76.367 31.180 49.429 1.00 0.00 N ATOM 1129 CA ASN A 76 74.975 31.033 49.016 1.00 0.00 C ATOM 1130 C ASN A 76 74.803 30.517 47.578 1.00 0.00 C ATOM 1131 O ASN A 76 75.319 29.474 47.184 1.00 0.00 O ATOM 1132 CB ASN A 76 74.170 32.282 49.428 1.00 0.00 C ATOM 1133 CG ASN A 76 72.662 32.031 49.417 1.00 0.00 C ATOM 1134 OD1 ASN A 76 72.202 30.906 49.428 1.00 0.00 O ATOM 1135 ND2 ASN A 76 71.843 33.042 49.309 1.00 0.00 N ATOM 0 H ASN A 76 76.814 32.012 49.044 1.00 0.00 H new ATOM 0 HA ASN A 76 74.518 30.211 49.567 1.00 0.00 H new ATOM 0 HB2 ASN A 76 74.476 32.596 50.426 1.00 0.00 H new ATOM 0 HB3 ASN A 76 74.404 33.102 48.750 1.00 0.00 H new ATOM 0 HD21 ASN A 76 70.839 32.879 49.236 1.00 0.00 H new ATOM 0 HD22 ASN A 76 72.207 33.995 49.298 1.00 0.00 H new ATOM 1142 N GLY A 77 74.012 31.247 46.812 1.00 0.00 N ATOM 1143 CA GLY A 77 73.438 30.895 45.531 1.00 0.00 C ATOM 1144 C GLY A 77 72.491 31.998 45.067 1.00 0.00 C ATOM 1145 O GLY A 77 71.268 31.859 45.074 1.00 0.00 O ATOM 0 H GLY A 77 73.732 32.185 47.099 1.00 0.00 H new ATOM 0 HA2 GLY A 77 74.229 30.749 44.796 1.00 0.00 H new ATOM 0 HA3 GLY A 77 72.899 29.951 45.611 1.00 0.00 H new ATOM 1149 N LEU A 78 73.092 33.148 44.763 1.00 0.00 N ATOM 1150 CA LEU A 78 72.423 34.413 44.430 1.00 0.00 C ATOM 1151 C LEU A 78 71.498 34.348 43.210 1.00 0.00 C ATOM 1152 O LEU A 78 70.644 35.208 43.036 1.00 0.00 O ATOM 1153 CB LEU A 78 73.492 35.499 44.270 1.00 0.00 C ATOM 1154 CG LEU A 78 74.380 35.428 43.012 1.00 0.00 C ATOM 1155 CD1 LEU A 78 73.793 36.182 41.813 1.00 0.00 C ATOM 1156 CD2 LEU A 78 75.732 36.070 43.313 1.00 0.00 C ATOM 0 H LEU A 78 74.108 33.231 44.740 1.00 0.00 H new ATOM 0 HA LEU A 78 71.751 34.651 45.254 1.00 0.00 H new ATOM 0 HB2 LEU A 78 72.994 36.468 44.278 1.00 0.00 H new ATOM 0 HB3 LEU A 78 74.141 35.467 45.145 1.00 0.00 H new ATOM 0 HG LEU A 78 74.461 34.371 42.757 1.00 0.00 H new ATOM 0 HD11 LEU A 78 74.467 36.092 40.961 1.00 0.00 H new ATOM 0 HD12 LEU A 78 72.823 35.756 41.555 1.00 0.00 H new ATOM 0 HD13 LEU A 78 73.671 37.234 42.069 1.00 0.00 H new ATOM 0 HD21 LEU A 78 76.363 36.022 42.426 1.00 0.00 H new ATOM 0 HD22 LEU A 78 75.585 37.112 43.598 1.00 0.00 H new ATOM 0 HD23 LEU A 78 76.215 35.535 44.131 1.00 0.00 H new ATOM 1168 N GLY A 79 71.671 33.326 42.380 1.00 0.00 N ATOM 1169 CA GLY A 79 70.709 32.922 41.352 1.00 0.00 C ATOM 1170 C GLY A 79 71.309 31.985 40.305 1.00 0.00 C ATOM 1171 O GLY A 79 72.262 31.253 40.551 1.00 0.00 O ATOM 0 H GLY A 79 72.504 32.738 42.401 1.00 0.00 H new ATOM 0 HA2 GLY A 79 69.862 32.429 41.829 1.00 0.00 H new ATOM 0 HA3 GLY A 79 70.322 33.812 40.855 1.00 0.00 H new ATOM 1175 N HIS A 80 70.749 32.015 39.105 1.00 0.00 N ATOM 1176 CA HIS A 80 71.240 31.348 37.912 1.00 0.00 C ATOM 1177 C HIS A 80 71.461 32.385 36.811 1.00 0.00 C ATOM 1178 O HIS A 80 70.860 33.450 36.862 1.00 0.00 O ATOM 1179 CB HIS A 80 70.204 30.315 37.504 1.00 0.00 C ATOM 1180 CG HIS A 80 69.942 29.290 38.574 1.00 0.00 C ATOM 1181 ND1 HIS A 80 69.095 29.459 39.644 1.00 0.00 N ATOM 1182 CD2 HIS A 80 70.601 28.106 38.756 1.00 0.00 C ATOM 1183 CE1 HIS A 80 69.266 28.421 40.478 1.00 0.00 C ATOM 1184 NE2 HIS A 80 70.151 27.552 39.961 1.00 0.00 N ATOM 0 H HIS A 80 69.890 32.536 38.929 1.00 0.00 H new ATOM 0 HA HIS A 80 72.192 30.850 38.094 1.00 0.00 H new ATOM 0 HB2 HIS A 80 69.271 30.822 37.258 1.00 0.00 H new ATOM 0 HB3 HIS A 80 70.540 29.809 36.599 1.00 0.00 H new ATOM 0 HD1 HIS A 80 68.450 30.237 39.780 1.00 0.00 H new ATOM 0 HD2 HIS A 80 71.335 27.676 38.091 1.00 0.00 H new ATOM 0 HE1 HIS A 80 68.765 28.302 41.427 1.00 0.00 H new ATOM 1192 N GLU A 81 72.257 32.071 35.797 1.00 0.00 N ATOM 1193 CA GLU A 81 72.538 32.904 34.626 1.00 0.00 C ATOM 1194 C GLU A 81 72.506 32.017 33.376 1.00 0.00 C ATOM 1195 O GLU A 81 73.363 31.157 33.171 1.00 0.00 O ATOM 1196 CB GLU A 81 73.906 33.571 34.815 1.00 0.00 C ATOM 1197 CG GLU A 81 74.288 34.568 33.701 1.00 0.00 C ATOM 1198 CD GLU A 81 75.613 35.312 33.980 1.00 0.00 C ATOM 1199 OE1 GLU A 81 76.424 34.823 34.804 1.00 0.00 O ATOM 1200 OE2 GLU A 81 75.844 36.404 33.396 1.00 0.00 O ATOM 0 H GLU A 81 72.753 31.180 35.764 1.00 0.00 H new ATOM 0 HA GLU A 81 71.790 33.688 34.508 1.00 0.00 H new ATOM 0 HB2 GLU A 81 73.913 34.094 35.772 1.00 0.00 H new ATOM 0 HB3 GLU A 81 74.670 32.796 34.870 1.00 0.00 H new ATOM 0 HG2 GLU A 81 74.372 34.032 32.755 1.00 0.00 H new ATOM 0 HG3 GLU A 81 73.487 35.297 33.584 1.00 0.00 H new ATOM 1207 N PHE A 82 71.474 32.170 32.554 1.00 0.00 N ATOM 1208 CA PHE A 82 71.321 31.387 31.324 1.00 0.00 C ATOM 1209 C PHE A 82 72.210 31.989 30.219 1.00 0.00 C ATOM 1210 O PHE A 82 72.131 33.193 29.966 1.00 0.00 O ATOM 1211 CB PHE A 82 69.830 31.350 30.954 1.00 0.00 C ATOM 1212 CG PHE A 82 69.334 30.036 30.390 1.00 0.00 C ATOM 1213 CD1 PHE A 82 68.813 29.049 31.253 1.00 0.00 C ATOM 1214 CD2 PHE A 82 69.349 29.816 29.002 1.00 0.00 C ATOM 1215 CE1 PHE A 82 68.292 27.853 30.726 1.00 0.00 C ATOM 1216 CE2 PHE A 82 68.849 28.611 28.481 1.00 0.00 C ATOM 1217 CZ PHE A 82 68.312 27.635 29.338 1.00 0.00 C ATOM 0 H PHE A 82 70.720 32.837 32.717 1.00 0.00 H new ATOM 0 HA PHE A 82 71.651 30.357 31.460 1.00 0.00 H new ATOM 0 HB2 PHE A 82 69.246 31.588 31.843 1.00 0.00 H new ATOM 0 HB3 PHE A 82 69.634 32.136 30.225 1.00 0.00 H new ATOM 0 HD1 PHE A 82 68.814 29.212 32.321 1.00 0.00 H new ATOM 0 HD2 PHE A 82 69.744 30.571 28.338 1.00 0.00 H new ATOM 0 HE1 PHE A 82 67.878 27.105 31.386 1.00 0.00 H new ATOM 0 HE2 PHE A 82 68.877 28.434 27.416 1.00 0.00 H new ATOM 0 HZ PHE A 82 67.915 26.717 28.930 1.00 0.00 H new ATOM 1227 N LEU A 83 73.085 31.193 29.591 1.00 0.00 N ATOM 1228 CA LEU A 83 74.229 31.722 28.830 1.00 0.00 C ATOM 1229 C LEU A 83 74.643 30.852 27.634 1.00 0.00 C ATOM 1230 O LEU A 83 74.416 29.647 27.584 1.00 0.00 O ATOM 1231 CB LEU A 83 75.425 31.925 29.782 1.00 0.00 C ATOM 1232 CG LEU A 83 76.422 33.033 29.388 1.00 0.00 C ATOM 1233 CD1 LEU A 83 75.809 34.432 29.493 1.00 0.00 C ATOM 1234 CD2 LEU A 83 77.642 32.985 30.309 1.00 0.00 C ATOM 0 H LEU A 83 73.023 30.175 29.594 1.00 0.00 H new ATOM 0 HA LEU A 83 73.908 32.673 28.404 1.00 0.00 H new ATOM 0 HB2 LEU A 83 75.039 32.148 30.776 1.00 0.00 H new ATOM 0 HB3 LEU A 83 75.969 30.983 29.856 1.00 0.00 H new ATOM 0 HG LEU A 83 76.701 32.850 28.350 1.00 0.00 H new ATOM 0 HD11 LEU A 83 76.551 35.177 29.205 1.00 0.00 H new ATOM 0 HD12 LEU A 83 74.947 34.502 28.829 1.00 0.00 H new ATOM 0 HD13 LEU A 83 75.492 34.614 30.520 1.00 0.00 H new ATOM 0 HD21 LEU A 83 78.343 33.770 30.026 1.00 0.00 H new ATOM 0 HD22 LEU A 83 77.325 33.136 31.341 1.00 0.00 H new ATOM 0 HD23 LEU A 83 78.129 32.014 30.218 1.00 0.00 H new ATOM 1246 N ASN A 84 75.275 31.507 26.662 1.00 0.00 N ATOM 1247 CA ASN A 84 75.676 31.041 25.327 1.00 0.00 C ATOM 1248 C ASN A 84 74.525 30.632 24.391 1.00 0.00 C ATOM 1249 O ASN A 84 74.715 30.476 23.182 1.00 0.00 O ATOM 1250 CB ASN A 84 76.773 29.987 25.436 1.00 0.00 C ATOM 1251 CG ASN A 84 77.953 30.419 26.228 1.00 0.00 C ATOM 1252 OD1 ASN A 84 78.781 31.204 25.807 1.00 0.00 O ATOM 1253 ND2 ASN A 84 78.074 29.849 27.391 1.00 0.00 N ATOM 0 H ASN A 84 75.549 32.480 26.800 1.00 0.00 H new ATOM 0 HA ASN A 84 76.087 31.914 24.820 1.00 0.00 H new ATOM 0 HB2 ASN A 84 76.355 29.088 25.889 1.00 0.00 H new ATOM 0 HB3 ASN A 84 77.102 29.715 24.433 1.00 0.00 H new ATOM 0 HD21 ASN A 84 78.881 30.056 27.979 1.00 0.00 H new ATOM 0 HD22 ASN A 84 77.362 29.195 27.715 1.00 0.00 H new ATOM 1260 N ASP A 85 73.323 30.554 24.949 1.00 0.00 N ATOM 1261 CA ASP A 85 72.086 30.104 24.304 1.00 0.00 C ATOM 1262 C ASP A 85 71.277 31.244 23.670 1.00 0.00 C ATOM 1263 O ASP A 85 70.340 30.999 22.918 1.00 0.00 O ATOM 1264 CB ASP A 85 71.232 29.378 25.345 1.00 0.00 C ATOM 1265 CG ASP A 85 70.178 28.487 24.680 1.00 0.00 C ATOM 1266 OD1 ASP A 85 70.572 27.556 23.947 1.00 0.00 O ATOM 1267 OD2 ASP A 85 68.959 28.698 24.910 1.00 0.00 O ATOM 0 H ASP A 85 73.172 30.818 25.923 1.00 0.00 H new ATOM 0 HA ASP A 85 72.365 29.439 23.486 1.00 0.00 H new ATOM 0 HB2 ASP A 85 71.873 28.771 25.984 1.00 0.00 H new ATOM 0 HB3 ASP A 85 70.740 30.108 25.988 1.00 0.00 H new ATOM 1272 N GLY A 86 71.626 32.497 23.981 1.00 0.00 N ATOM 1273 CA GLY A 86 70.908 33.702 23.576 1.00 0.00 C ATOM 1274 C GLY A 86 71.577 34.581 22.503 1.00 0.00 C ATOM 1275 O GLY A 86 71.794 35.769 22.763 1.00 0.00 O ATOM 0 H GLY A 86 72.451 32.704 24.545 1.00 0.00 H new ATOM 0 HA2 GLY A 86 69.926 33.405 23.208 1.00 0.00 H new ATOM 0 HA3 GLY A 86 70.744 34.314 24.463 1.00 0.00 H new ATOM 1279 N PRO A 87 71.905 34.076 21.293 1.00 0.00 N ATOM 1280 CA PRO A 87 72.509 34.891 20.236 1.00 0.00 C ATOM 1281 C PRO A 87 71.503 35.860 19.594 1.00 0.00 C ATOM 1282 O PRO A 87 71.903 36.937 19.153 1.00 0.00 O ATOM 1283 CB PRO A 87 73.053 33.883 19.218 1.00 0.00 C ATOM 1284 CG PRO A 87 72.087 32.706 19.337 1.00 0.00 C ATOM 1285 CD PRO A 87 71.710 32.714 20.816 1.00 0.00 C ATOM 0 HA PRO A 87 73.294 35.535 20.633 1.00 0.00 H new ATOM 0 HB2 PRO A 87 73.062 34.295 18.209 1.00 0.00 H new ATOM 0 HB3 PRO A 87 74.076 33.589 19.451 1.00 0.00 H new ATOM 0 HG2 PRO A 87 71.214 32.835 18.698 1.00 0.00 H new ATOM 0 HG3 PRO A 87 72.558 31.767 19.046 1.00 0.00 H new ATOM 0 HD2 PRO A 87 70.675 32.401 20.953 1.00 0.00 H new ATOM 0 HD3 PRO A 87 72.331 32.015 21.377 1.00 0.00 H new ATOM 1293 N LYS A 88 70.213 35.502 19.591 1.00 0.00 N ATOM 1294 CA LYS A 88 69.065 36.214 19.022 1.00 0.00 C ATOM 1295 C LYS A 88 68.355 36.985 20.142 1.00 0.00 C ATOM 1296 O LYS A 88 68.973 37.848 20.761 1.00 0.00 O ATOM 1297 CB LYS A 88 68.196 35.194 18.263 1.00 0.00 C ATOM 1298 CG LYS A 88 68.923 34.617 17.042 1.00 0.00 C ATOM 1299 CD LYS A 88 68.207 33.416 16.419 1.00 0.00 C ATOM 1300 CE LYS A 88 68.196 32.189 17.343 1.00 0.00 C ATOM 1301 NZ LYS A 88 67.880 30.955 16.591 1.00 0.00 N ATOM 0 H LYS A 88 69.921 34.627 20.027 1.00 0.00 H new ATOM 0 HA LYS A 88 69.351 36.969 18.290 1.00 0.00 H new ATOM 0 HB2 LYS A 88 67.917 34.383 18.936 1.00 0.00 H new ATOM 0 HB3 LYS A 88 67.271 35.673 17.942 1.00 0.00 H new ATOM 0 HG2 LYS A 88 69.029 35.398 16.289 1.00 0.00 H new ATOM 0 HG3 LYS A 88 69.929 34.318 17.335 1.00 0.00 H new ATOM 0 HD2 LYS A 88 67.181 33.694 16.179 1.00 0.00 H new ATOM 0 HD3 LYS A 88 68.695 33.154 15.480 1.00 0.00 H new ATOM 0 HE2 LYS A 88 69.168 32.085 17.825 1.00 0.00 H new ATOM 0 HE3 LYS A 88 67.461 32.334 18.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 67.880 30.143 17.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 66.942 31.047 16.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 68.596 30.806 15.851 1.00 0.00 H new ATOM 1315 N ARG A 89 67.113 36.632 20.519 1.00 0.00 N ATOM 1316 CA ARG A 89 66.695 36.652 21.910 1.00 0.00 C ATOM 1317 C ARG A 89 67.370 35.509 22.687 1.00 0.00 C ATOM 1318 O ARG A 89 68.520 35.186 22.417 1.00 0.00 O ATOM 1319 CB ARG A 89 65.189 36.665 22.074 1.00 0.00 C ATOM 1320 CG ARG A 89 64.555 37.930 21.566 1.00 0.00 C ATOM 1321 CD ARG A 89 64.456 38.157 20.058 1.00 0.00 C ATOM 1322 NE ARG A 89 63.684 37.076 19.409 1.00 0.00 N ATOM 1323 CZ ARG A 89 63.926 36.490 18.251 1.00 0.00 C ATOM 1324 NH1 ARG A 89 64.843 36.887 17.419 1.00 0.00 N ATOM 1325 NH2 ARG A 89 63.257 35.443 17.895 1.00 0.00 N ATOM 0 H ARG A 89 66.388 36.330 19.868 1.00 0.00 H new ATOM 0 HA ARG A 89 67.032 37.594 22.343 1.00 0.00 H new ATOM 0 HB2 ARG A 89 64.764 35.813 21.543 1.00 0.00 H new ATOM 0 HB3 ARG A 89 64.942 36.539 23.128 1.00 0.00 H new ATOM 0 HG2 ARG A 89 63.545 37.978 21.973 1.00 0.00 H new ATOM 0 HG3 ARG A 89 65.109 38.768 21.989 1.00 0.00 H new ATOM 0 HD2 ARG A 89 63.979 39.117 19.862 1.00 0.00 H new ATOM 0 HD3 ARG A 89 65.456 38.204 19.627 1.00 0.00 H new ATOM 0 HE ARG A 89 62.865 36.743 19.918 1.00 0.00 H new ATOM 0 HH11 ARG A 89 65.424 37.694 17.647 1.00 0.00 H new ATOM 0 HH12 ARG A 89 64.982 36.391 16.538 1.00 0.00 H new ATOM 0 HH21 ARG A 89 62.537 35.064 18.510 1.00 0.00 H new ATOM 0 HH22 ARG A 89 63.449 34.995 16.999 1.00 0.00 H new ATOM 1339 N GLY A 90 66.691 34.954 23.693 1.00 0.00 N ATOM 1340 CA GLY A 90 67.287 34.113 24.729 1.00 0.00 C ATOM 1341 C GLY A 90 68.246 34.883 25.642 1.00 0.00 C ATOM 1342 O GLY A 90 69.002 34.287 26.400 1.00 0.00 O ATOM 0 H GLY A 90 65.686 35.081 23.811 1.00 0.00 H new ATOM 0 HA2 GLY A 90 66.494 33.672 25.333 1.00 0.00 H new ATOM 0 HA3 GLY A 90 67.824 33.290 24.258 1.00 0.00 H new ATOM 1346 N GLN A 91 68.244 36.210 25.502 1.00 0.00 N ATOM 1347 CA GLN A 91 69.195 37.127 26.110 1.00 0.00 C ATOM 1348 C GLN A 91 68.993 37.320 27.622 1.00 0.00 C ATOM 1349 O GLN A 91 67.892 37.116 28.131 1.00 0.00 O ATOM 1350 CB GLN A 91 69.118 38.480 25.393 1.00 0.00 C ATOM 1351 CG GLN A 91 69.880 38.527 24.070 1.00 0.00 C ATOM 1352 CD GLN A 91 69.864 39.944 23.503 1.00 0.00 C ATOM 1353 OE1 GLN A 91 70.372 40.877 24.104 1.00 0.00 O ATOM 1354 NE2 GLN A 91 69.257 40.169 22.363 1.00 0.00 N ATOM 0 H GLN A 91 67.546 36.691 24.935 1.00 0.00 H new ATOM 0 HA GLN A 91 70.183 36.681 25.995 1.00 0.00 H new ATOM 0 HB2 GLN A 91 68.072 38.722 25.206 1.00 0.00 H new ATOM 0 HB3 GLN A 91 69.511 39.253 26.054 1.00 0.00 H new ATOM 0 HG2 GLN A 91 70.909 38.200 24.222 1.00 0.00 H new ATOM 0 HG3 GLN A 91 69.429 37.837 23.357 1.00 0.00 H new ATOM 0 HE21 GLN A 91 68.829 39.397 21.852 1.00 0.00 H new ATOM 0 HE22 GLN A 91 69.213 41.116 21.987 1.00 0.00 H new ATOM 1363 N SER A 92 70.069 37.758 28.291 1.00 0.00 N ATOM 1364 CA SER A 92 70.138 38.354 29.638 1.00 0.00 C ATOM 1365 C SER A 92 68.977 38.011 30.575 1.00 0.00 C ATOM 1366 O SER A 92 68.064 38.803 30.815 1.00 0.00 O ATOM 1367 CB SER A 92 70.240 39.864 29.545 1.00 0.00 C ATOM 1368 OG SER A 92 71.345 40.265 28.753 1.00 0.00 O ATOM 0 H SER A 92 70.996 37.700 27.869 1.00 0.00 H new ATOM 0 HA SER A 92 71.031 37.909 30.077 1.00 0.00 H new ATOM 0 HB2 SER A 92 69.321 40.266 29.118 1.00 0.00 H new ATOM 0 HB3 SER A 92 70.337 40.285 30.546 1.00 0.00 H new ATOM 0 HG SER A 92 71.380 41.244 28.712 1.00 0.00 H new ATOM 1374 N ARG A 93 69.063 36.806 31.119 1.00 0.00 N ATOM 1375 CA ARG A 93 68.133 36.276 32.121 1.00 0.00 C ATOM 1376 C ARG A 93 68.851 35.590 33.281 1.00 0.00 C ATOM 1377 O ARG A 93 69.340 34.462 33.177 1.00 0.00 O ATOM 1378 CB ARG A 93 67.027 35.421 31.475 1.00 0.00 C ATOM 1379 CG ARG A 93 67.486 34.249 30.586 1.00 0.00 C ATOM 1380 CD ARG A 93 66.312 33.436 30.009 1.00 0.00 C ATOM 1381 NE ARG A 93 65.525 32.747 31.059 1.00 0.00 N ATOM 1382 CZ ARG A 93 65.514 31.461 31.367 1.00 0.00 C ATOM 1383 NH1 ARG A 93 66.149 30.556 30.677 1.00 0.00 N ATOM 1384 NH2 ARG A 93 64.846 31.067 32.409 1.00 0.00 N ATOM 0 H ARG A 93 69.801 36.146 30.872 1.00 0.00 H new ATOM 0 HA ARG A 93 67.623 37.126 32.575 1.00 0.00 H new ATOM 0 HB2 ARG A 93 66.400 35.019 32.271 1.00 0.00 H new ATOM 0 HB3 ARG A 93 66.397 36.077 30.874 1.00 0.00 H new ATOM 0 HG2 ARG A 93 68.090 34.637 29.766 1.00 0.00 H new ATOM 0 HG3 ARG A 93 68.127 33.588 31.169 1.00 0.00 H new ATOM 0 HD2 ARG A 93 65.657 34.101 29.446 1.00 0.00 H new ATOM 0 HD3 ARG A 93 66.697 32.698 29.306 1.00 0.00 H new ATOM 0 HE ARG A 93 64.912 33.342 31.617 1.00 0.00 H new ATOM 0 HH11 ARG A 93 66.688 30.827 29.855 1.00 0.00 H new ATOM 0 HH12 ARG A 93 66.107 29.577 30.959 1.00 0.00 H new ATOM 0 HH21 ARG A 93 64.339 31.746 32.977 1.00 0.00 H new ATOM 0 HH22 ARG A 93 64.828 30.078 32.659 1.00 0.00 H new ATOM 1398 N PHE A 94 68.840 36.279 34.414 1.00 0.00 N ATOM 1399 CA PHE A 94 69.260 35.784 35.714 1.00 0.00 C ATOM 1400 C PHE A 94 68.063 35.221 36.486 1.00 0.00 C ATOM 1401 O PHE A 94 67.194 35.976 36.921 1.00 0.00 O ATOM 1402 CB PHE A 94 69.926 36.903 36.517 1.00 0.00 C ATOM 1403 CG PHE A 94 71.336 37.250 36.090 1.00 0.00 C ATOM 1404 CD1 PHE A 94 72.437 36.578 36.656 1.00 0.00 C ATOM 1405 CD2 PHE A 94 71.547 38.272 35.151 1.00 0.00 C ATOM 1406 CE1 PHE A 94 73.745 36.950 36.300 1.00 0.00 C ATOM 1407 CE2 PHE A 94 72.853 38.640 34.788 1.00 0.00 C ATOM 1408 CZ PHE A 94 73.951 37.988 35.375 1.00 0.00 C ATOM 0 H PHE A 94 68.521 37.247 34.451 1.00 0.00 H new ATOM 0 HA PHE A 94 69.983 34.982 35.561 1.00 0.00 H new ATOM 0 HB2 PHE A 94 69.310 37.799 36.442 1.00 0.00 H new ATOM 0 HB3 PHE A 94 69.942 36.614 37.568 1.00 0.00 H new ATOM 0 HD1 PHE A 94 72.276 35.778 37.363 1.00 0.00 H new ATOM 0 HD2 PHE A 94 70.702 38.777 34.706 1.00 0.00 H new ATOM 0 HE1 PHE A 94 74.590 36.439 36.737 1.00 0.00 H new ATOM 0 HE2 PHE A 94 73.013 39.422 34.060 1.00 0.00 H new ATOM 0 HZ PHE A 94 74.956 38.285 35.115 1.00 0.00 H new ATOM 1418 N CYS A 95 67.981 33.902 36.665 1.00 0.00 N ATOM 1419 CA CYS A 95 66.831 33.253 37.291 1.00 0.00 C ATOM 1420 C CYS A 95 67.090 32.980 38.787 1.00 0.00 C ATOM 1421 O CYS A 95 67.946 32.167 39.142 1.00 0.00 O ATOM 1422 CB CYS A 95 66.512 31.982 36.490 1.00 0.00 C ATOM 1423 SG CYS A 95 64.865 32.104 35.733 1.00 0.00 S ATOM 0 H CYS A 95 68.713 33.253 36.379 1.00 0.00 H new ATOM 0 HA CYS A 95 65.959 33.907 37.268 1.00 0.00 H new ATOM 0 HB2 CYS A 95 67.265 31.835 35.716 1.00 0.00 H new ATOM 0 HB3 CYS A 95 66.554 31.112 37.145 1.00 0.00 H new ATOM 0 HG CYS A 95 64.157 32.986 36.374 1.00 0.00 H new ATOM 1429 N ILE A 96 66.372 33.668 39.674 1.00 0.00 N ATOM 1430 CA ILE A 96 66.703 33.797 41.105 1.00 0.00 C ATOM 1431 C ILE A 96 65.708 33.051 42.022 1.00 0.00 C ATOM 1432 O ILE A 96 64.591 32.744 41.609 1.00 0.00 O ATOM 1433 CB ILE A 96 66.798 35.306 41.435 1.00 0.00 C ATOM 1434 CG1 ILE A 96 67.389 35.578 42.829 1.00 0.00 C ATOM 1435 CG2 ILE A 96 65.445 36.025 41.283 1.00 0.00 C ATOM 1436 CD1 ILE A 96 67.979 36.988 42.966 1.00 0.00 C ATOM 0 H ILE A 96 65.520 34.167 39.417 1.00 0.00 H new ATOM 0 HA ILE A 96 67.662 33.316 41.300 1.00 0.00 H new ATOM 0 HB ILE A 96 67.488 35.717 40.698 1.00 0.00 H new ATOM 0 HG12 ILE A 96 66.611 35.441 43.580 1.00 0.00 H new ATOM 0 HG13 ILE A 96 68.166 34.843 43.038 1.00 0.00 H new ATOM 0 HG21 ILE A 96 65.565 37.081 41.526 1.00 0.00 H new ATOM 0 HG22 ILE A 96 65.094 35.926 40.256 1.00 0.00 H new ATOM 0 HG23 ILE A 96 64.717 35.577 41.960 1.00 0.00 H new ATOM 0 HD11 ILE A 96 68.380 37.119 43.971 1.00 0.00 H new ATOM 0 HD12 ILE A 96 68.778 37.121 42.237 1.00 0.00 H new ATOM 0 HD13 ILE A 96 67.199 37.728 42.788 1.00 0.00 H new ATOM 1448 N PHE A 97 66.099 32.777 43.271 1.00 0.00 N ATOM 1449 CA PHE A 97 65.282 32.080 44.278 1.00 0.00 C ATOM 1450 C PHE A 97 64.919 32.937 45.502 1.00 0.00 C ATOM 1451 O PHE A 97 65.627 33.877 45.860 1.00 0.00 O ATOM 1452 CB PHE A 97 66.007 30.805 44.721 1.00 0.00 C ATOM 1453 CG PHE A 97 65.645 29.599 43.878 1.00 0.00 C ATOM 1454 CD1 PHE A 97 66.265 29.397 42.630 1.00 0.00 C ATOM 1455 CD2 PHE A 97 64.636 28.717 44.309 1.00 0.00 C ATOM 1456 CE1 PHE A 97 65.876 28.317 41.815 1.00 0.00 C ATOM 1457 CE2 PHE A 97 64.245 27.641 43.492 1.00 0.00 C ATOM 1458 CZ PHE A 97 64.865 27.441 42.246 1.00 0.00 C ATOM 0 H PHE A 97 67.019 33.041 43.623 1.00 0.00 H new ATOM 0 HA PHE A 97 64.333 31.842 43.797 1.00 0.00 H new ATOM 0 HB2 PHE A 97 67.083 30.968 44.669 1.00 0.00 H new ATOM 0 HB3 PHE A 97 65.765 30.599 45.764 1.00 0.00 H new ATOM 0 HD1 PHE A 97 67.040 30.072 42.298 1.00 0.00 H new ATOM 0 HD2 PHE A 97 64.162 28.867 45.268 1.00 0.00 H new ATOM 0 HE1 PHE A 97 66.354 28.162 40.859 1.00 0.00 H new ATOM 0 HE2 PHE A 97 63.468 26.968 43.822 1.00 0.00 H new ATOM 0 HZ PHE A 97 64.564 26.614 41.620 1.00 0.00 H new ATOM 1468 N SER A 98 63.863 32.543 46.227 1.00 0.00 N ATOM 1469 CA SER A 98 63.447 33.183 47.489 1.00 0.00 C ATOM 1470 C SER A 98 64.496 33.118 48.609 1.00 0.00 C ATOM 1471 O SER A 98 64.515 33.984 49.477 1.00 0.00 O ATOM 1472 CB SER A 98 62.140 32.571 47.988 1.00 0.00 C ATOM 1473 OG SER A 98 62.245 31.174 48.195 1.00 0.00 O ATOM 0 H SER A 98 63.265 31.763 45.953 1.00 0.00 H new ATOM 0 HA SER A 98 63.316 34.238 47.248 1.00 0.00 H new ATOM 0 HB2 SER A 98 61.849 33.053 48.921 1.00 0.00 H new ATOM 0 HB3 SER A 98 61.349 32.770 47.265 1.00 0.00 H new ATOM 0 HG SER A 98 61.387 30.825 48.515 1.00 0.00 H new ATOM 1479 N SER A 99 65.396 32.131 48.572 1.00 0.00 N ATOM 1480 CA SER A 99 66.565 32.022 49.465 1.00 0.00 C ATOM 1481 C SER A 99 67.874 32.608 48.898 1.00 0.00 C ATOM 1482 O SER A 99 68.913 32.528 49.557 1.00 0.00 O ATOM 1483 CB SER A 99 66.743 30.584 49.948 1.00 0.00 C ATOM 1484 OG SER A 99 67.654 30.541 51.029 1.00 0.00 O ATOM 0 H SER A 99 65.335 31.363 47.904 1.00 0.00 H new ATOM 0 HA SER A 99 66.340 32.658 50.321 1.00 0.00 H new ATOM 0 HB2 SER A 99 65.781 30.175 50.257 1.00 0.00 H new ATOM 0 HB3 SER A 99 67.107 29.961 49.131 1.00 0.00 H new ATOM 0 HG SER A 99 68.370 31.194 50.880 1.00 0.00 H new ATOM 1490 N SER A 100 67.874 33.197 47.696 1.00 0.00 N ATOM 1491 CA SER A 100 69.073 33.834 47.126 1.00 0.00 C ATOM 1492 C SER A 100 69.440 35.133 47.851 1.00 0.00 C ATOM 1493 O SER A 100 70.618 35.439 48.018 1.00 0.00 O ATOM 1494 CB SER A 100 68.864 34.124 45.646 1.00 0.00 C ATOM 1495 OG SER A 100 68.764 32.926 44.895 1.00 0.00 O ATOM 0 H SER A 100 67.052 33.247 47.094 1.00 0.00 H new ATOM 0 HA SER A 100 69.897 33.133 47.255 1.00 0.00 H new ATOM 0 HB2 SER A 100 67.958 34.715 45.514 1.00 0.00 H new ATOM 0 HB3 SER A 100 69.693 34.723 45.270 1.00 0.00 H new ATOM 0 HG SER A 100 69.644 32.497 44.845 1.00 0.00 H new ATOM 1501 N LEU A 101 68.423 35.881 48.291 1.00 0.00 N ATOM 1502 CA LEU A 101 68.534 37.126 49.063 1.00 0.00 C ATOM 1503 C LEU A 101 67.212 37.483 49.771 1.00 0.00 C ATOM 1504 O LEU A 101 66.163 36.931 49.438 1.00 0.00 O ATOM 1505 CB LEU A 101 69.043 38.271 48.163 1.00 0.00 C ATOM 1506 CG LEU A 101 68.540 38.361 46.708 1.00 0.00 C ATOM 1507 CD1 LEU A 101 67.027 38.556 46.601 1.00 0.00 C ATOM 1508 CD2 LEU A 101 69.216 39.543 46.012 1.00 0.00 C ATOM 0 H LEU A 101 67.453 35.624 48.111 1.00 0.00 H new ATOM 0 HA LEU A 101 69.268 36.972 49.854 1.00 0.00 H new ATOM 0 HB2 LEU A 101 68.795 39.211 48.655 1.00 0.00 H new ATOM 0 HB3 LEU A 101 70.131 38.205 48.131 1.00 0.00 H new ATOM 0 HG LEU A 101 68.790 37.411 46.236 1.00 0.00 H new ATOM 0 HD11 LEU A 101 66.741 38.611 45.551 1.00 0.00 H new ATOM 0 HD12 LEU A 101 66.518 37.715 47.072 1.00 0.00 H new ATOM 0 HD13 LEU A 101 66.743 39.481 47.104 1.00 0.00 H new ATOM 0 HD21 LEU A 101 68.863 39.610 44.983 1.00 0.00 H new ATOM 0 HD22 LEU A 101 68.971 40.465 46.540 1.00 0.00 H new ATOM 0 HD23 LEU A 101 70.296 39.398 46.016 1.00 0.00 H new ATOM 1520 N LYS A 102 67.249 38.385 50.761 1.00 0.00 N ATOM 1521 CA LYS A 102 66.112 38.785 51.602 1.00 0.00 C ATOM 1522 C LYS A 102 65.542 40.150 51.200 1.00 0.00 C ATOM 1523 O LYS A 102 66.161 40.901 50.453 1.00 0.00 O ATOM 1524 CB LYS A 102 66.476 38.747 53.094 1.00 0.00 C ATOM 1525 CG LYS A 102 67.588 37.768 53.512 1.00 0.00 C ATOM 1526 CD LYS A 102 67.696 37.571 55.033 1.00 0.00 C ATOM 1527 CE LYS A 102 66.520 36.732 55.549 1.00 0.00 C ATOM 1528 NZ LYS A 102 66.575 36.495 57.008 1.00 0.00 N ATOM 0 H LYS A 102 68.108 38.877 51.008 1.00 0.00 H new ATOM 0 HA LYS A 102 65.323 38.052 51.433 1.00 0.00 H new ATOM 0 HB2 LYS A 102 66.775 39.750 53.396 1.00 0.00 H new ATOM 0 HB3 LYS A 102 65.576 38.500 53.657 1.00 0.00 H new ATOM 0 HG2 LYS A 102 67.406 36.802 53.041 1.00 0.00 H new ATOM 0 HG3 LYS A 102 68.543 38.132 53.133 1.00 0.00 H new ATOM 0 HD2 LYS A 102 68.637 37.078 55.276 1.00 0.00 H new ATOM 0 HD3 LYS A 102 67.706 38.540 55.532 1.00 0.00 H new ATOM 0 HE2 LYS A 102 65.586 37.237 55.303 1.00 0.00 H new ATOM 0 HE3 LYS A 102 66.510 35.773 55.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 65.756 35.924 57.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 67.452 35.988 57.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 66.556 37.406 57.509 1.00 0.00 H new ATOM 1542 N PHE A 103 64.363 40.474 51.721 1.00 0.00 N ATOM 1543 CA PHE A 103 63.598 41.682 51.468 1.00 0.00 C ATOM 1544 C PHE A 103 63.259 42.381 52.786 1.00 0.00 C ATOM 1545 O PHE A 103 62.783 41.749 53.734 1.00 0.00 O ATOM 1546 CB PHE A 103 62.327 41.269 50.724 1.00 0.00 C ATOM 1547 CG PHE A 103 61.435 42.409 50.260 1.00 0.00 C ATOM 1548 CD1 PHE A 103 61.943 43.422 49.425 1.00 0.00 C ATOM 1549 CD2 PHE A 103 60.084 42.450 50.658 1.00 0.00 C ATOM 1550 CE1 PHE A 103 61.113 44.474 49.003 1.00 0.00 C ATOM 1551 CE2 PHE A 103 59.251 43.501 50.232 1.00 0.00 C ATOM 1552 CZ PHE A 103 59.768 44.515 49.407 1.00 0.00 C ATOM 0 H PHE A 103 63.887 39.854 52.376 1.00 0.00 H new ATOM 0 HA PHE A 103 64.173 42.387 50.868 1.00 0.00 H new ATOM 0 HB2 PHE A 103 62.613 40.679 49.854 1.00 0.00 H new ATOM 0 HB3 PHE A 103 61.743 40.617 51.374 1.00 0.00 H new ATOM 0 HD1 PHE A 103 62.975 43.390 49.108 1.00 0.00 H new ATOM 0 HD2 PHE A 103 59.686 41.672 51.292 1.00 0.00 H new ATOM 0 HE1 PHE A 103 61.509 45.252 48.367 1.00 0.00 H new ATOM 0 HE2 PHE A 103 58.216 43.529 50.538 1.00 0.00 H new ATOM 0 HZ PHE A 103 59.131 45.325 49.084 1.00 0.00 H new ATOM 1562 N VAL A 104 63.493 43.686 52.816 1.00 0.00 N ATOM 1563 CA VAL A 104 63.185 44.606 53.912 1.00 0.00 C ATOM 1564 C VAL A 104 62.293 45.758 53.422 1.00 0.00 C ATOM 1565 O VAL A 104 62.778 46.788 52.944 1.00 0.00 O ATOM 1566 CB VAL A 104 64.479 45.044 54.632 1.00 0.00 C ATOM 1567 CG1 VAL A 104 65.499 45.824 53.795 1.00 0.00 C ATOM 1568 CG2 VAL A 104 64.161 45.840 55.904 1.00 0.00 C ATOM 0 H VAL A 104 63.930 44.164 52.028 1.00 0.00 H new ATOM 0 HA VAL A 104 62.594 44.095 54.672 1.00 0.00 H new ATOM 0 HB VAL A 104 64.963 44.096 54.865 1.00 0.00 H new ATOM 0 HG11 VAL A 104 66.362 46.073 54.413 1.00 0.00 H new ATOM 0 HG12 VAL A 104 65.821 45.213 52.952 1.00 0.00 H new ATOM 0 HG13 VAL A 104 65.041 46.741 53.425 1.00 0.00 H new ATOM 0 HG21 VAL A 104 65.091 46.135 56.390 1.00 0.00 H new ATOM 0 HG22 VAL A 104 63.589 46.731 55.643 1.00 0.00 H new ATOM 0 HG23 VAL A 104 63.577 45.221 56.584 1.00 0.00 H new ATOM 1578 N PRO A 105 60.958 45.618 53.507 1.00 0.00 N ATOM 1579 CA PRO A 105 60.071 46.711 53.164 1.00 0.00 C ATOM 1580 C PRO A 105 59.930 47.704 54.315 1.00 0.00 C ATOM 1581 O PRO A 105 59.843 47.344 55.490 1.00 0.00 O ATOM 1582 CB PRO A 105 58.734 46.085 52.807 1.00 0.00 C ATOM 1583 CG PRO A 105 58.713 44.813 53.663 1.00 0.00 C ATOM 1584 CD PRO A 105 60.188 44.418 53.805 1.00 0.00 C ATOM 0 HA PRO A 105 60.470 47.283 52.327 1.00 0.00 H new ATOM 0 HB2 PRO A 105 57.901 46.747 53.046 1.00 0.00 H new ATOM 0 HB3 PRO A 105 58.665 45.857 51.743 1.00 0.00 H new ATOM 0 HG2 PRO A 105 58.257 44.997 54.636 1.00 0.00 H new ATOM 0 HG3 PRO A 105 58.135 44.022 53.184 1.00 0.00 H new ATOM 0 HD2 PRO A 105 60.400 44.059 54.812 1.00 0.00 H new ATOM 0 HD3 PRO A 105 60.443 43.611 53.118 1.00 0.00 H new ATOM 1592 N LYS A 106 59.853 48.979 53.942 1.00 0.00 N ATOM 1593 CA LYS A 106 59.721 50.151 54.774 1.00 0.00 C ATOM 1594 C LYS A 106 58.453 50.945 54.482 1.00 0.00 C ATOM 1595 O LYS A 106 57.713 50.674 53.540 1.00 0.00 O ATOM 1596 CB LYS A 106 60.985 51.007 54.648 1.00 0.00 C ATOM 1597 CG LYS A 106 61.786 51.111 55.954 1.00 0.00 C ATOM 1598 CD LYS A 106 62.467 49.771 56.255 1.00 0.00 C ATOM 1599 CE LYS A 106 62.904 49.651 57.711 1.00 0.00 C ATOM 1600 NZ LYS A 106 64.177 50.347 58.015 1.00 0.00 N ATOM 0 H LYS A 106 59.885 49.231 52.954 1.00 0.00 H new ATOM 0 HA LYS A 106 59.618 49.825 55.809 1.00 0.00 H new ATOM 0 HB2 LYS A 106 61.624 50.586 53.872 1.00 0.00 H new ATOM 0 HB3 LYS A 106 60.705 52.009 54.322 1.00 0.00 H new ATOM 0 HG2 LYS A 106 62.535 51.899 55.870 1.00 0.00 H new ATOM 0 HG3 LYS A 106 61.125 51.386 56.776 1.00 0.00 H new ATOM 0 HD2 LYS A 106 61.782 48.957 56.017 1.00 0.00 H new ATOM 0 HD3 LYS A 106 63.336 49.656 55.608 1.00 0.00 H new ATOM 0 HE2 LYS A 106 62.119 50.055 58.350 1.00 0.00 H new ATOM 0 HE3 LYS A 106 63.009 48.596 57.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 64.410 50.222 59.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 64.939 49.947 57.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 64.077 51.361 57.807 1.00 0.00 H new