USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 583 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 Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 150:sc= -0.318 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 121:sc= -0.946 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.761 K(o=-0.76,f=-0.017) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.84 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -4.15 K(o=-4.2,f=-0.048) USER MOD Single : A 74 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.2) USER MOD Single : A 78 SER OG : rot -57:sc= 0.756 USER MOD Single : A 79 LYS NZ :NH3+ 158:sc= -0.0233 (180deg=-0.552) USER MOD Single : A 82 ASN : amide:sc= -0.0399 X(o=-0.04,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 157:sc= -0.478 USER MOD Single : A 100 ASN : amide:sc=-0.00163 X(o=-0.0016,f=0) USER MOD ----------------------------------------------------------------- ATOM 246 N GLU A 20 20.685 27.301 -16.356 1.00 5.10 N ATOM 247 CA GLU A 20 19.853 27.537 -15.182 1.00 23.10 C ATOM 248 C GLU A 20 18.424 27.882 -15.589 1.00 13.21 C ATOM 249 O GLU A 20 17.982 29.027 -15.487 1.00 73.21 O ATOM 250 CB GLU A 20 20.440 28.666 -14.332 1.00 20.21 C ATOM 251 CG GLU A 20 20.902 29.863 -15.145 1.00 51.32 C ATOM 252 CD GLU A 20 21.484 30.966 -14.282 1.00 33.44 C ATOM 253 OE1 GLU A 20 22.356 30.663 -13.441 1.00 14.45 O ATOM 254 OE2 GLU A 20 21.067 32.131 -14.448 1.00 14.12 O ATOM 0 HA GLU A 20 19.833 26.621 -14.592 1.00 23.10 H new ATOM 0 HB2 GLU A 20 19.691 28.994 -13.612 1.00 20.21 H new ATOM 0 HB3 GLU A 20 21.283 28.278 -13.761 1.00 20.21 H new ATOM 0 HG2 GLU A 20 21.651 29.539 -15.868 1.00 51.32 H new ATOM 0 HG3 GLU A 20 20.060 30.258 -15.714 1.00 51.32 H new ATOM 261 N PRO A 21 17.683 26.869 -16.062 1.00 54.31 N ATOM 262 CA PRO A 21 16.292 27.040 -16.494 1.00 43.13 C ATOM 263 C PRO A 21 15.351 27.312 -15.326 1.00 23.14 C ATOM 264 O PRO A 21 14.461 28.157 -15.416 1.00 64.51 O ATOM 265 CB PRO A 21 15.957 25.698 -17.150 1.00 2.03 C ATOM 266 CG PRO A 21 16.880 24.721 -16.506 1.00 50.33 C ATOM 267 CD PRO A 21 18.145 25.479 -16.211 1.00 52.12 C ATOM 0 HA PRO A 21 16.174 27.896 -17.158 1.00 43.13 H new ATOM 0 HB2 PRO A 21 14.914 25.426 -16.985 1.00 2.03 H new ATOM 0 HB3 PRO A 21 16.110 25.735 -18.229 1.00 2.03 H new ATOM 0 HG2 PRO A 21 16.445 24.317 -15.592 1.00 50.33 H new ATOM 0 HG3 PRO A 21 17.076 23.876 -17.166 1.00 50.33 H new ATOM 0 HD2 PRO A 21 18.628 25.117 -15.304 1.00 52.12 H new ATOM 0 HD3 PRO A 21 18.870 25.381 -17.019 1.00 52.12 H new ATOM 275 N GLY A 22 15.555 26.590 -14.228 1.00 15.15 N ATOM 276 CA GLY A 22 14.716 26.769 -13.057 1.00 22.05 C ATOM 277 C GLY A 22 14.678 28.209 -12.585 1.00 41.23 C ATOM 278 O GLY A 22 13.734 28.625 -11.914 1.00 32.11 O ATOM 0 H GLY A 22 16.285 25.885 -14.129 1.00 15.15 H new ATOM 0 HA2 GLY A 22 13.703 26.438 -13.286 1.00 22.05 H new ATOM 0 HA3 GLY A 22 15.084 26.135 -12.250 1.00 22.05 H new ATOM 282 N SER A 23 15.708 28.972 -12.936 1.00 42.50 N ATOM 283 CA SER A 23 15.791 30.373 -12.540 1.00 4.33 C ATOM 284 C SER A 23 14.511 31.118 -12.904 1.00 35.13 C ATOM 285 O SER A 23 13.905 30.863 -13.944 1.00 44.32 O ATOM 286 CB SER A 23 16.992 31.044 -13.209 1.00 45.12 C ATOM 287 OG SER A 23 16.866 32.455 -13.188 1.00 54.33 O ATOM 0 H SER A 23 16.496 28.644 -13.494 1.00 42.50 H new ATOM 0 HA SER A 23 15.918 30.411 -11.458 1.00 4.33 H new ATOM 0 HB2 SER A 23 17.908 30.750 -12.697 1.00 45.12 H new ATOM 0 HB3 SER A 23 17.078 30.699 -14.239 1.00 45.12 H new ATOM 0 HG SER A 23 17.647 32.860 -13.620 1.00 54.33 H new ATOM 293 N GLY A 24 14.103 32.040 -12.037 1.00 51.42 N ATOM 294 CA GLY A 24 12.897 32.808 -12.284 1.00 15.41 C ATOM 295 C GLY A 24 11.872 32.649 -11.178 1.00 53.35 C ATOM 296 O GLY A 24 10.674 32.823 -11.403 1.00 33.23 O ATOM 0 H GLY A 24 14.586 32.268 -11.168 1.00 51.42 H new ATOM 0 HA2 GLY A 24 13.156 33.862 -12.387 1.00 15.41 H new ATOM 0 HA3 GLY A 24 12.457 32.494 -13.231 1.00 15.41 H new ATOM 300 N VAL A 25 12.342 32.316 -9.981 1.00 3.33 N ATOM 301 CA VAL A 25 11.458 32.133 -8.836 1.00 23.21 C ATOM 302 C VAL A 25 12.116 32.622 -7.550 1.00 74.51 C ATOM 303 O VAL A 25 13.341 32.704 -7.460 1.00 14.23 O ATOM 304 CB VAL A 25 11.059 30.655 -8.666 1.00 24.11 C ATOM 305 CG1 VAL A 25 9.888 30.525 -7.704 1.00 71.04 C ATOM 306 CG2 VAL A 25 10.724 30.035 -10.014 1.00 42.53 C ATOM 0 H VAL A 25 13.331 32.167 -9.778 1.00 3.33 H new ATOM 0 HA VAL A 25 10.562 32.723 -9.030 1.00 23.21 H new ATOM 0 HB VAL A 25 11.906 30.114 -8.244 1.00 24.11 H new ATOM 0 HG11 VAL A 25 9.620 29.474 -7.597 1.00 71.04 H new ATOM 0 HG12 VAL A 25 10.169 30.929 -6.732 1.00 71.04 H new ATOM 0 HG13 VAL A 25 9.034 31.079 -8.094 1.00 71.04 H new ATOM 0 HG21 VAL A 25 10.444 28.991 -9.875 1.00 42.53 H new ATOM 0 HG22 VAL A 25 9.893 30.576 -10.467 1.00 42.53 H new ATOM 0 HG23 VAL A 25 11.594 30.093 -10.668 1.00 42.53 H new ATOM 316 N ARG A 26 11.293 32.944 -6.557 1.00 62.11 N ATOM 317 CA ARG A 26 11.795 33.425 -5.276 1.00 14.44 C ATOM 318 C ARG A 26 11.259 32.574 -4.128 1.00 2.22 C ATOM 319 O ARG A 26 10.167 32.822 -3.615 1.00 45.31 O ATOM 320 CB ARG A 26 11.400 34.889 -5.067 1.00 22.44 C ATOM 321 CG ARG A 26 11.930 35.483 -3.772 1.00 12.20 C ATOM 322 CD ARG A 26 10.878 36.334 -3.078 1.00 54.34 C ATOM 323 NE ARG A 26 11.004 37.748 -3.421 1.00 43.32 N ATOM 324 CZ ARG A 26 12.020 38.511 -3.031 1.00 73.23 C ATOM 325 NH1 ARG A 26 12.992 37.998 -2.290 1.00 33.13 N ATOM 326 NH2 ARG A 26 12.064 39.789 -3.384 1.00 4.34 N ATOM 0 H ARG A 26 10.277 32.880 -6.615 1.00 62.11 H new ATOM 0 HA ARG A 26 12.882 33.347 -5.287 1.00 14.44 H new ATOM 0 HB2 ARG A 26 11.769 35.480 -5.906 1.00 22.44 H new ATOM 0 HB3 ARG A 26 10.313 34.968 -5.075 1.00 22.44 H new ATOM 0 HG2 ARG A 26 12.248 34.681 -3.106 1.00 12.20 H new ATOM 0 HG3 ARG A 26 12.810 36.091 -3.982 1.00 12.20 H new ATOM 0 HD2 ARG A 26 9.885 35.981 -3.356 1.00 54.34 H new ATOM 0 HD3 ARG A 26 10.969 36.213 -1.998 1.00 54.34 H new ATOM 0 HE ARG A 26 10.273 38.173 -3.991 1.00 43.32 H new ATOM 0 HH11 ARG A 26 12.961 37.015 -2.018 1.00 33.13 H new ATOM 0 HH12 ARG A 26 13.771 38.586 -1.992 1.00 33.13 H new ATOM 0 HH21 ARG A 26 11.318 40.186 -3.955 1.00 4.34 H new ATOM 0 HH22 ARG A 26 12.844 40.374 -3.084 1.00 4.34 H new ATOM 340 N ILE A 27 12.034 31.571 -3.731 1.00 24.13 N ATOM 341 CA ILE A 27 11.638 30.684 -2.644 1.00 2.12 C ATOM 342 C ILE A 27 11.849 31.348 -1.288 1.00 2.44 C ATOM 343 O ILE A 27 12.779 32.135 -1.107 1.00 52.13 O ATOM 344 CB ILE A 27 12.424 29.360 -2.682 1.00 44.33 C ATOM 345 CG1 ILE A 27 12.332 28.727 -4.072 1.00 41.22 C ATOM 346 CG2 ILE A 27 11.901 28.403 -1.622 1.00 63.42 C ATOM 347 CD1 ILE A 27 13.478 29.103 -4.985 1.00 4.13 C ATOM 0 H ILE A 27 12.940 31.352 -4.146 1.00 24.13 H new ATOM 0 HA ILE A 27 10.578 30.472 -2.781 1.00 2.12 H new ATOM 0 HB ILE A 27 13.472 29.570 -2.468 1.00 44.33 H new ATOM 0 HG12 ILE A 27 12.303 27.642 -3.967 1.00 41.22 H new ATOM 0 HG13 ILE A 27 11.394 29.028 -4.538 1.00 41.22 H new ATOM 0 HG21 ILE A 27 12.466 27.472 -1.662 1.00 63.42 H new ATOM 0 HG22 ILE A 27 12.014 28.855 -0.636 1.00 63.42 H new ATOM 0 HG23 ILE A 27 10.847 28.195 -1.807 1.00 63.42 H new ATOM 0 HD11 ILE A 27 13.347 28.618 -5.952 1.00 4.13 H new ATOM 0 HD12 ILE A 27 13.496 30.184 -5.120 1.00 4.13 H new ATOM 0 HD13 ILE A 27 14.419 28.778 -4.541 1.00 4.13 H new ATOM 359 N VAL A 28 10.980 31.025 -0.335 1.00 4.12 N ATOM 360 CA VAL A 28 11.073 31.588 1.007 1.00 12.00 C ATOM 361 C VAL A 28 10.558 30.605 2.052 1.00 33.21 C ATOM 362 O VAL A 28 9.365 30.574 2.357 1.00 43.01 O ATOM 363 CB VAL A 28 10.279 32.903 1.120 1.00 52.01 C ATOM 364 CG1 VAL A 28 10.389 33.475 2.525 1.00 23.31 C ATOM 365 CG2 VAL A 28 10.764 33.908 0.087 1.00 43.43 C ATOM 0 H VAL A 28 10.204 30.377 -0.467 1.00 4.12 H new ATOM 0 HA VAL A 28 12.128 31.792 1.193 1.00 12.00 H new ATOM 0 HB VAL A 28 9.228 32.691 0.922 1.00 52.01 H new ATOM 0 HG11 VAL A 28 9.822 34.404 2.585 1.00 23.31 H new ATOM 0 HG12 VAL A 28 9.989 32.758 3.242 1.00 23.31 H new ATOM 0 HG13 VAL A 28 11.436 33.674 2.756 1.00 23.31 H new ATOM 0 HG21 VAL A 28 10.192 34.831 0.181 1.00 43.43 H new ATOM 0 HG22 VAL A 28 11.821 34.117 0.251 1.00 43.43 H new ATOM 0 HG23 VAL A 28 10.627 33.497 -0.913 1.00 43.43 H new ATOM 375 N VAL A 29 11.465 29.802 2.599 1.00 31.31 N ATOM 376 CA VAL A 29 11.103 28.817 3.612 1.00 1.50 C ATOM 377 C VAL A 29 10.807 29.488 4.949 1.00 53.13 C ATOM 378 O VAL A 29 11.691 30.079 5.567 1.00 64.01 O ATOM 379 CB VAL A 29 12.222 27.777 3.809 1.00 51.42 C ATOM 380 CG1 VAL A 29 11.788 26.707 4.798 1.00 31.25 C ATOM 381 CG2 VAL A 29 12.612 27.156 2.476 1.00 11.40 C ATOM 0 H VAL A 29 12.456 29.814 2.358 1.00 31.31 H new ATOM 0 HA VAL A 29 10.206 28.311 3.255 1.00 1.50 H new ATOM 0 HB VAL A 29 13.097 28.283 4.218 1.00 51.42 H new ATOM 0 HG11 VAL A 29 12.591 25.981 4.924 1.00 31.25 H new ATOM 0 HG12 VAL A 29 11.562 27.170 5.759 1.00 31.25 H new ATOM 0 HG13 VAL A 29 10.899 26.202 4.421 1.00 31.25 H new ATOM 0 HG21 VAL A 29 13.404 26.424 2.634 1.00 11.40 H new ATOM 0 HG22 VAL A 29 11.745 26.664 2.036 1.00 11.40 H new ATOM 0 HG23 VAL A 29 12.968 27.935 1.802 1.00 11.40 H new ATOM 391 N GLU A 30 9.556 29.391 5.389 1.00 50.33 N ATOM 392 CA GLU A 30 9.143 29.989 6.653 1.00 43.51 C ATOM 393 C GLU A 30 9.147 28.952 7.772 1.00 2.54 C ATOM 394 O GLU A 30 8.134 28.305 8.038 1.00 52.54 O ATOM 395 CB GLU A 30 7.750 30.607 6.520 1.00 74.24 C ATOM 396 CG GLU A 30 7.403 31.575 7.638 1.00 21.35 C ATOM 397 CD GLU A 30 6.082 32.282 7.409 1.00 14.34 C ATOM 398 OE1 GLU A 30 6.084 33.350 6.762 1.00 71.21 O ATOM 399 OE2 GLU A 30 5.045 31.767 7.878 1.00 13.31 O ATOM 0 H GLU A 30 8.812 28.904 4.889 1.00 50.33 H new ATOM 0 HA GLU A 30 9.857 30.773 6.905 1.00 43.51 H new ATOM 0 HB2 GLU A 30 7.683 31.129 5.565 1.00 74.24 H new ATOM 0 HB3 GLU A 30 7.008 29.809 6.499 1.00 74.24 H new ATOM 0 HG2 GLU A 30 7.362 31.033 8.583 1.00 21.35 H new ATOM 0 HG3 GLU A 30 8.196 32.317 7.730 1.00 21.35 H new ATOM 406 N TYR A 31 10.294 28.800 8.425 1.00 20.20 N ATOM 407 CA TYR A 31 10.432 27.840 9.514 1.00 71.22 C ATOM 408 C TYR A 31 10.722 28.550 10.833 1.00 61.24 C ATOM 409 O TYR A 31 11.063 29.733 10.853 1.00 74.01 O ATOM 410 CB TYR A 31 11.548 26.841 9.203 1.00 41.31 C ATOM 411 CG TYR A 31 12.929 27.456 9.208 1.00 5.21 C ATOM 412 CD1 TYR A 31 13.470 28.008 8.053 1.00 24.15 C ATOM 413 CD2 TYR A 31 13.693 27.486 10.369 1.00 43.35 C ATOM 414 CE1 TYR A 31 14.732 28.570 8.054 1.00 62.03 C ATOM 415 CE2 TYR A 31 14.956 28.048 10.378 1.00 34.44 C ATOM 416 CZ TYR A 31 15.471 28.588 9.218 1.00 32.35 C ATOM 417 OH TYR A 31 16.728 29.148 9.223 1.00 34.11 O ATOM 0 H TYR A 31 11.141 29.329 8.219 1.00 20.20 H new ATOM 0 HA TYR A 31 9.489 27.302 9.612 1.00 71.22 H new ATOM 0 HB2 TYR A 31 11.516 26.034 9.935 1.00 41.31 H new ATOM 0 HB3 TYR A 31 11.362 26.394 8.227 1.00 41.31 H new ATOM 0 HD1 TYR A 31 12.894 27.997 7.139 1.00 24.15 H new ATOM 0 HD2 TYR A 31 13.293 27.063 11.279 1.00 43.35 H new ATOM 0 HE1 TYR A 31 15.138 28.993 7.147 1.00 62.03 H new ATOM 0 HE2 TYR A 31 15.536 28.064 11.289 1.00 34.44 H new ATOM 0 HH TYR A 31 16.918 29.517 10.111 1.00 34.11 H new ATOM 427 N CYS A 32 10.585 27.818 11.933 1.00 3.04 N ATOM 428 CA CYS A 32 10.832 28.375 13.258 1.00 62.21 C ATOM 429 C CYS A 32 12.329 28.447 13.547 1.00 12.41 C ATOM 430 O CYS A 32 12.966 27.433 13.830 1.00 52.32 O ATOM 431 CB CYS A 32 10.135 27.531 14.327 1.00 64.31 C ATOM 432 SG CYS A 32 10.631 27.934 16.033 1.00 52.52 S ATOM 0 H CYS A 32 10.304 26.837 11.933 1.00 3.04 H new ATOM 0 HA CYS A 32 10.426 29.386 13.281 1.00 62.21 H new ATOM 0 HB2 CYS A 32 9.057 27.663 14.233 1.00 64.31 H new ATOM 0 HB3 CYS A 32 10.345 26.478 14.138 1.00 64.31 H new ATOM 437 N GLU A 33 12.882 29.654 13.474 1.00 22.11 N ATOM 438 CA GLU A 33 14.304 29.858 13.728 1.00 54.25 C ATOM 439 C GLU A 33 14.693 29.326 15.104 1.00 71.24 C ATOM 440 O GLU A 33 15.511 28.415 15.236 1.00 1.42 O ATOM 441 CB GLU A 33 14.654 31.344 13.626 1.00 41.24 C ATOM 442 CG GLU A 33 15.430 31.702 12.369 1.00 25.44 C ATOM 443 CD GLU A 33 15.476 33.196 12.117 1.00 2.23 C ATOM 444 OE1 GLU A 33 15.484 33.964 13.102 1.00 51.55 O ATOM 445 OE2 GLU A 33 15.505 33.597 10.935 1.00 54.12 O ATOM 0 H GLU A 33 12.368 30.504 13.242 1.00 22.11 H new ATOM 0 HA GLU A 33 14.865 29.307 12.973 1.00 54.25 H new ATOM 0 HB2 GLU A 33 13.734 31.928 13.654 1.00 41.24 H new ATOM 0 HB3 GLU A 33 15.240 31.631 14.499 1.00 41.24 H new ATOM 0 HG2 GLU A 33 16.447 31.320 12.454 1.00 25.44 H new ATOM 0 HG3 GLU A 33 14.974 31.207 11.512 1.00 25.44 H new ATOM 452 N PRO A 34 14.094 29.907 16.154 1.00 73.24 N ATOM 453 CA PRO A 34 14.361 29.508 17.538 1.00 24.35 C ATOM 454 C PRO A 34 13.805 28.125 17.861 1.00 10.23 C ATOM 455 O PRO A 34 12.986 27.970 18.768 1.00 43.30 O ATOM 456 CB PRO A 34 13.642 30.579 18.362 1.00 42.22 C ATOM 457 CG PRO A 34 12.562 31.082 17.468 1.00 75.21 C ATOM 458 CD PRO A 34 13.108 30.998 16.070 1.00 62.34 C ATOM 0 HA PRO A 34 15.429 29.439 17.743 1.00 24.35 H new ATOM 0 HB2 PRO A 34 13.232 30.162 19.282 1.00 42.22 H new ATOM 0 HB3 PRO A 34 14.323 31.380 18.650 1.00 42.22 H new ATOM 0 HG2 PRO A 34 11.659 30.481 17.571 1.00 75.21 H new ATOM 0 HG3 PRO A 34 12.293 32.108 17.721 1.00 75.21 H new ATOM 0 HD2 PRO A 34 12.325 30.777 15.345 1.00 62.34 H new ATOM 0 HD3 PRO A 34 13.571 31.936 15.762 1.00 62.34 H new ATOM 466 N CYS A 35 14.254 27.122 17.114 1.00 4.42 N ATOM 467 CA CYS A 35 13.802 25.752 17.320 1.00 32.04 C ATOM 468 C CYS A 35 14.904 24.757 16.969 1.00 31.54 C ATOM 469 O CYS A 35 15.170 23.819 17.720 1.00 71.43 O ATOM 470 CB CYS A 35 12.558 25.471 16.476 1.00 54.14 C ATOM 471 SG CYS A 35 11.024 26.189 17.149 1.00 64.54 S ATOM 0 H CYS A 35 14.931 27.233 16.360 1.00 4.42 H new ATOM 0 HA CYS A 35 13.552 25.633 18.374 1.00 32.04 H new ATOM 0 HB2 CYS A 35 12.718 25.861 15.471 1.00 54.14 H new ATOM 0 HB3 CYS A 35 12.431 24.392 16.383 1.00 54.14 H new ATOM 476 N GLY A 36 15.542 24.969 15.822 1.00 22.34 N ATOM 477 CA GLY A 36 16.608 24.083 15.392 1.00 72.24 C ATOM 478 C GLY A 36 16.326 23.449 14.044 1.00 53.13 C ATOM 479 O GLY A 36 16.975 22.477 13.659 1.00 63.25 O ATOM 0 H GLY A 36 15.340 25.738 15.183 1.00 22.34 H new ATOM 0 HA2 GLY A 36 17.542 24.642 15.339 1.00 72.24 H new ATOM 0 HA3 GLY A 36 16.748 23.299 16.137 1.00 72.24 H new ATOM 483 N PHE A 37 15.353 24.000 13.325 1.00 71.51 N ATOM 484 CA PHE A 37 14.984 23.480 12.013 1.00 10.22 C ATOM 485 C PHE A 37 15.899 24.042 10.929 1.00 54.32 C ATOM 486 O PHE A 37 15.878 23.585 9.787 1.00 71.51 O ATOM 487 CB PHE A 37 13.527 23.824 11.696 1.00 2.32 C ATOM 488 CG PHE A 37 12.535 22.995 12.461 1.00 44.11 C ATOM 489 CD1 PHE A 37 12.677 21.619 12.539 1.00 20.01 C ATOM 490 CD2 PHE A 37 11.462 23.592 13.102 1.00 32.21 C ATOM 491 CE1 PHE A 37 11.765 20.854 13.241 1.00 23.24 C ATOM 492 CE2 PHE A 37 10.547 22.832 13.806 1.00 20.34 C ATOM 493 CZ PHE A 37 10.700 21.461 13.877 1.00 73.11 C ATOM 0 H PHE A 37 14.806 24.806 13.629 1.00 71.51 H new ATOM 0 HA PHE A 37 15.098 22.396 12.034 1.00 10.22 H new ATOM 0 HB2 PHE A 37 13.355 24.877 11.916 1.00 2.32 H new ATOM 0 HB3 PHE A 37 13.354 23.689 10.628 1.00 2.32 H new ATOM 0 HD1 PHE A 37 13.509 21.139 12.046 1.00 20.01 H new ATOM 0 HD2 PHE A 37 11.339 24.664 13.051 1.00 32.21 H new ATOM 0 HE1 PHE A 37 11.885 19.782 13.292 1.00 23.24 H new ATOM 0 HE2 PHE A 37 9.714 23.309 14.300 1.00 20.34 H new ATOM 0 HZ PHE A 37 9.988 20.865 14.429 1.00 73.11 H new ATOM 503 N GLU A 38 16.700 25.038 11.296 1.00 74.20 N ATOM 504 CA GLU A 38 17.621 25.663 10.354 1.00 15.43 C ATOM 505 C GLU A 38 18.691 24.675 9.902 1.00 24.33 C ATOM 506 O GLU A 38 19.345 24.876 8.879 1.00 32.11 O ATOM 507 CB GLU A 38 18.279 26.890 10.989 1.00 13.20 C ATOM 508 CG GLU A 38 19.224 27.626 10.054 1.00 54.20 C ATOM 509 CD GLU A 38 19.724 28.932 10.640 1.00 50.34 C ATOM 510 OE1 GLU A 38 19.687 29.078 11.879 1.00 4.35 O ATOM 511 OE2 GLU A 38 20.152 29.808 9.859 1.00 34.00 O ATOM 0 H GLU A 38 16.730 25.429 12.238 1.00 74.20 H new ATOM 0 HA GLU A 38 17.050 25.977 9.480 1.00 15.43 H new ATOM 0 HB2 GLU A 38 17.501 27.578 11.321 1.00 13.20 H new ATOM 0 HB3 GLU A 38 18.829 26.578 11.877 1.00 13.20 H new ATOM 0 HG2 GLU A 38 20.075 26.985 9.825 1.00 54.20 H new ATOM 0 HG3 GLU A 38 18.714 27.826 9.112 1.00 54.20 H new ATOM 518 N ALA A 39 18.865 23.606 10.673 1.00 4.45 N ATOM 519 CA ALA A 39 19.855 22.586 10.353 1.00 61.44 C ATOM 520 C ALA A 39 19.408 21.742 9.164 1.00 71.32 C ATOM 521 O ALA A 39 20.179 21.500 8.235 1.00 42.34 O ATOM 522 CB ALA A 39 20.112 21.701 11.563 1.00 24.24 C ATOM 0 H ALA A 39 18.333 23.425 11.524 1.00 4.45 H new ATOM 0 HA ALA A 39 20.783 23.089 10.081 1.00 61.44 H new ATOM 0 HB1 ALA A 39 20.854 20.944 11.309 1.00 24.24 H new ATOM 0 HB2 ALA A 39 20.483 22.310 12.387 1.00 24.24 H new ATOM 0 HB3 ALA A 39 19.184 21.214 11.861 1.00 24.24 H new ATOM 528 N THR A 40 18.157 21.294 9.199 1.00 35.11 N ATOM 529 CA THR A 40 17.607 20.475 8.126 1.00 42.32 C ATOM 530 C THR A 40 17.309 21.317 6.890 1.00 65.51 C ATOM 531 O THR A 40 16.955 20.786 5.837 1.00 54.31 O ATOM 532 CB THR A 40 16.317 19.760 8.569 1.00 71.01 C ATOM 533 OG1 THR A 40 16.542 19.061 9.798 1.00 70.40 O ATOM 534 CG2 THR A 40 15.846 18.783 7.502 1.00 23.23 C ATOM 0 H THR A 40 17.505 21.485 9.960 1.00 35.11 H new ATOM 0 HA THR A 40 18.361 19.727 7.881 1.00 42.32 H new ATOM 0 HB THR A 40 15.543 20.513 8.717 1.00 71.01 H new ATOM 0 HG1 THR A 40 15.717 18.610 10.074 1.00 70.40 H new ATOM 0 HG21 THR A 40 14.934 18.290 7.837 1.00 23.23 H new ATOM 0 HG22 THR A 40 15.647 19.323 6.576 1.00 23.23 H new ATOM 0 HG23 THR A 40 16.619 18.035 7.327 1.00 23.23 H new ATOM 542 N TYR A 41 17.457 22.630 7.025 1.00 73.34 N ATOM 543 CA TYR A 41 17.202 23.545 5.918 1.00 33.24 C ATOM 544 C TYR A 41 18.507 23.974 5.254 1.00 35.33 C ATOM 545 O TYR A 41 18.571 24.144 4.036 1.00 35.10 O ATOM 546 CB TYR A 41 16.439 24.775 6.412 1.00 4.54 C ATOM 547 CG TYR A 41 16.358 25.887 5.391 1.00 13.52 C ATOM 548 CD1 TYR A 41 16.032 25.619 4.068 1.00 52.55 C ATOM 549 CD2 TYR A 41 16.606 27.207 5.751 1.00 73.34 C ATOM 550 CE1 TYR A 41 15.957 26.632 3.131 1.00 11.32 C ATOM 551 CE2 TYR A 41 16.532 28.226 4.821 1.00 13.22 C ATOM 552 CZ TYR A 41 16.207 27.934 3.513 1.00 64.12 C ATOM 553 OH TYR A 41 16.132 28.946 2.583 1.00 25.14 O ATOM 0 H TYR A 41 17.752 23.085 7.889 1.00 73.34 H new ATOM 0 HA TYR A 41 16.595 23.022 5.179 1.00 33.24 H new ATOM 0 HB2 TYR A 41 15.429 24.477 6.693 1.00 4.54 H new ATOM 0 HB3 TYR A 41 16.922 25.154 7.313 1.00 4.54 H new ATOM 0 HD1 TYR A 41 15.834 24.601 3.766 1.00 52.55 H new ATOM 0 HD2 TYR A 41 16.861 27.439 6.774 1.00 73.34 H new ATOM 0 HE1 TYR A 41 15.704 26.406 2.106 1.00 11.32 H new ATOM 0 HE2 TYR A 41 16.728 29.246 5.117 1.00 13.22 H new ATOM 0 HH TYR A 41 15.458 29.599 2.864 1.00 25.14 H new ATOM 563 N LEU A 42 19.546 24.146 6.064 1.00 54.32 N ATOM 564 CA LEU A 42 20.851 24.555 5.557 1.00 60.24 C ATOM 565 C LEU A 42 21.611 23.362 4.986 1.00 61.31 C ATOM 566 O LEU A 42 22.517 23.524 4.169 1.00 11.42 O ATOM 567 CB LEU A 42 21.670 25.211 6.670 1.00 61.25 C ATOM 568 CG LEU A 42 21.800 26.733 6.599 1.00 25.40 C ATOM 569 CD1 LEU A 42 20.431 27.390 6.672 1.00 31.32 C ATOM 570 CD2 LEU A 42 22.699 27.243 7.716 1.00 44.22 C ATOM 0 H LEU A 42 19.510 24.009 7.074 1.00 54.32 H new ATOM 0 HA LEU A 42 20.692 25.278 4.757 1.00 60.24 H new ATOM 0 HB2 LEU A 42 21.220 24.949 7.628 1.00 61.25 H new ATOM 0 HB3 LEU A 42 22.671 24.780 6.660 1.00 61.25 H new ATOM 0 HG LEU A 42 22.255 26.996 5.644 1.00 25.40 H new ATOM 0 HD11 LEU A 42 20.544 28.473 6.620 1.00 31.32 H new ATOM 0 HD12 LEU A 42 19.819 27.049 5.837 1.00 31.32 H new ATOM 0 HD13 LEU A 42 19.948 27.120 7.611 1.00 31.32 H new ATOM 0 HD21 LEU A 42 22.781 28.328 7.651 1.00 44.22 H new ATOM 0 HD22 LEU A 42 22.272 26.969 8.681 1.00 44.22 H new ATOM 0 HD23 LEU A 42 23.689 26.798 7.618 1.00 44.22 H new ATOM 582 N GLU A 43 21.234 22.163 5.421 1.00 51.44 N ATOM 583 CA GLU A 43 21.880 20.943 4.951 1.00 12.22 C ATOM 584 C GLU A 43 21.700 20.777 3.445 1.00 51.20 C ATOM 585 O GLU A 43 22.630 21.001 2.669 1.00 71.33 O ATOM 586 CB GLU A 43 21.310 19.725 5.681 1.00 23.03 C ATOM 587 CG GLU A 43 22.156 19.271 6.859 1.00 64.43 C ATOM 588 CD GLU A 43 21.912 17.820 7.227 1.00 3.12 C ATOM 589 OE1 GLU A 43 21.034 17.189 6.603 1.00 21.44 O ATOM 590 OE2 GLU A 43 22.600 17.317 8.140 1.00 65.42 O ATOM 0 H GLU A 43 20.486 22.011 6.097 1.00 51.44 H new ATOM 0 HA GLU A 43 22.946 21.021 5.165 1.00 12.22 H new ATOM 0 HB2 GLU A 43 20.306 19.961 6.035 1.00 23.03 H new ATOM 0 HB3 GLU A 43 21.214 18.901 4.974 1.00 23.03 H new ATOM 0 HG2 GLU A 43 23.210 19.409 6.619 1.00 64.43 H new ATOM 0 HG3 GLU A 43 21.940 19.902 7.721 1.00 64.43 H new ATOM 597 N LEU A 44 20.498 20.383 3.039 1.00 41.23 N ATOM 598 CA LEU A 44 20.195 20.186 1.625 1.00 12.14 C ATOM 599 C LEU A 44 20.364 21.486 0.846 1.00 45.13 C ATOM 600 O LEU A 44 20.397 21.484 -0.384 1.00 71.25 O ATOM 601 CB LEU A 44 18.768 19.660 1.458 1.00 1.33 C ATOM 602 CG LEU A 44 17.649 20.684 1.649 1.00 53.44 C ATOM 603 CD1 LEU A 44 17.801 21.400 2.982 1.00 41.33 C ATOM 604 CD2 LEU A 44 17.640 21.685 0.502 1.00 64.22 C ATOM 0 H LEU A 44 19.718 20.194 3.668 1.00 41.23 H new ATOM 0 HA LEU A 44 20.896 19.452 1.227 1.00 12.14 H new ATOM 0 HB2 LEU A 44 18.675 19.231 0.460 1.00 1.33 H new ATOM 0 HB3 LEU A 44 18.616 18.848 2.169 1.00 1.33 H new ATOM 0 HG LEU A 44 16.696 20.155 1.651 1.00 53.44 H new ATOM 0 HD11 LEU A 44 16.995 22.125 3.100 1.00 41.33 H new ATOM 0 HD12 LEU A 44 17.756 20.673 3.793 1.00 41.33 H new ATOM 0 HD13 LEU A 44 18.761 21.916 3.010 1.00 41.33 H new ATOM 0 HD21 LEU A 44 16.837 22.406 0.655 1.00 64.22 H new ATOM 0 HD22 LEU A 44 18.596 22.208 0.468 1.00 64.22 H new ATOM 0 HD23 LEU A 44 17.481 21.159 -0.439 1.00 64.22 H new ATOM 616 N ALA A 45 20.474 22.595 1.570 1.00 23.34 N ATOM 617 CA ALA A 45 20.645 23.901 0.947 1.00 42.11 C ATOM 618 C ALA A 45 22.013 24.018 0.282 1.00 33.52 C ATOM 619 O ALA A 45 22.136 24.564 -0.814 1.00 61.41 O ATOM 620 CB ALA A 45 20.461 25.006 1.977 1.00 62.30 C ATOM 0 H ALA A 45 20.448 22.615 2.589 1.00 23.34 H new ATOM 0 HA ALA A 45 19.884 24.009 0.174 1.00 42.11 H new ATOM 0 HB1 ALA A 45 20.592 25.976 1.497 1.00 62.30 H new ATOM 0 HB2 ALA A 45 19.459 24.944 2.403 1.00 62.30 H new ATOM 0 HB3 ALA A 45 21.200 24.891 2.770 1.00 62.30 H new ATOM 626 N SER A 46 23.038 23.501 0.953 1.00 15.41 N ATOM 627 CA SER A 46 24.397 23.552 0.429 1.00 64.20 C ATOM 628 C SER A 46 24.477 22.885 -0.941 1.00 33.32 C ATOM 629 O SER A 46 25.401 23.136 -1.713 1.00 24.20 O ATOM 630 CB SER A 46 25.365 22.870 1.398 1.00 64.03 C ATOM 631 OG SER A 46 25.632 23.696 2.518 1.00 30.20 O ATOM 0 H SER A 46 22.952 23.042 1.860 1.00 15.41 H new ATOM 0 HA SER A 46 24.679 24.599 0.321 1.00 64.20 H new ATOM 0 HB2 SER A 46 24.942 21.923 1.733 1.00 64.03 H new ATOM 0 HB3 SER A 46 26.297 22.638 0.883 1.00 64.03 H new ATOM 0 HG SER A 46 26.252 23.237 3.123 1.00 30.20 H new ATOM 637 N ALA A 47 23.500 22.033 -1.235 1.00 14.14 N ATOM 638 CA ALA A 47 23.457 21.331 -2.511 1.00 74.31 C ATOM 639 C ALA A 47 22.363 21.895 -3.412 1.00 32.15 C ATOM 640 O ALA A 47 22.482 21.875 -4.637 1.00 12.43 O ATOM 641 CB ALA A 47 23.242 19.841 -2.287 1.00 3.10 C ATOM 0 H ALA A 47 22.728 21.813 -0.606 1.00 14.14 H new ATOM 0 HA ALA A 47 24.415 21.478 -3.010 1.00 74.31 H new ATOM 0 HB1 ALA A 47 23.212 19.329 -3.249 1.00 3.10 H new ATOM 0 HB2 ALA A 47 24.061 19.441 -1.689 1.00 3.10 H new ATOM 0 HB3 ALA A 47 22.299 19.684 -1.763 1.00 3.10 H new ATOM 647 N VAL A 48 21.297 22.397 -2.796 1.00 74.44 N ATOM 648 CA VAL A 48 20.181 22.967 -3.543 1.00 23.23 C ATOM 649 C VAL A 48 20.632 24.160 -4.378 1.00 72.44 C ATOM 650 O VAL A 48 19.971 24.540 -5.345 1.00 14.22 O ATOM 651 CB VAL A 48 19.046 23.412 -2.602 1.00 10.50 C ATOM 652 CG1 VAL A 48 19.254 24.852 -2.158 1.00 41.55 C ATOM 653 CG2 VAL A 48 17.695 23.245 -3.281 1.00 42.13 C ATOM 0 H VAL A 48 21.183 22.421 -1.783 1.00 74.44 H new ATOM 0 HA VAL A 48 19.809 22.184 -4.204 1.00 23.23 H new ATOM 0 HB VAL A 48 19.063 22.778 -1.716 1.00 10.50 H new ATOM 0 HG11 VAL A 48 18.442 25.149 -1.494 1.00 41.55 H new ATOM 0 HG12 VAL A 48 20.204 24.936 -1.630 1.00 41.55 H new ATOM 0 HG13 VAL A 48 19.265 25.504 -3.031 1.00 41.55 H new ATOM 0 HG21 VAL A 48 16.904 23.564 -2.602 1.00 42.13 H new ATOM 0 HG22 VAL A 48 17.664 23.853 -4.185 1.00 42.13 H new ATOM 0 HG23 VAL A 48 17.547 22.198 -3.544 1.00 42.13 H new ATOM 663 N LYS A 49 21.762 24.746 -4.000 1.00 43.54 N ATOM 664 CA LYS A 49 22.304 25.896 -4.715 1.00 64.12 C ATOM 665 C LYS A 49 22.925 25.469 -6.041 1.00 61.34 C ATOM 666 O LYS A 49 23.004 26.258 -6.982 1.00 65.11 O ATOM 667 CB LYS A 49 23.351 26.609 -3.856 1.00 50.44 C ATOM 668 CG LYS A 49 23.908 27.869 -4.497 1.00 72.24 C ATOM 669 CD LYS A 49 22.798 28.811 -4.932 1.00 13.14 C ATOM 670 CE LYS A 49 21.918 29.215 -3.758 1.00 64.20 C ATOM 671 NZ LYS A 49 21.317 30.563 -3.953 1.00 44.23 N ATOM 0 H LYS A 49 22.321 24.444 -3.202 1.00 43.54 H new ATOM 0 HA LYS A 49 21.484 26.583 -4.923 1.00 64.12 H new ATOM 0 HB2 LYS A 49 22.906 26.867 -2.895 1.00 50.44 H new ATOM 0 HB3 LYS A 49 24.172 25.921 -3.653 1.00 50.44 H new ATOM 0 HG2 LYS A 49 24.563 28.379 -3.790 1.00 72.24 H new ATOM 0 HG3 LYS A 49 24.517 27.600 -5.360 1.00 72.24 H new ATOM 0 HD2 LYS A 49 23.232 29.702 -5.386 1.00 13.14 H new ATOM 0 HD3 LYS A 49 22.188 28.329 -5.696 1.00 13.14 H new ATOM 0 HE2 LYS A 49 21.124 28.479 -3.629 1.00 64.20 H new ATOM 0 HE3 LYS A 49 22.509 29.210 -2.842 1.00 64.20 H new ATOM 0 HZ1 LYS A 49 20.725 30.801 -3.132 1.00 44.23 H new ATOM 0 HZ2 LYS A 49 22.074 31.270 -4.051 1.00 44.23 H new ATOM 0 HZ3 LYS A 49 20.732 30.561 -4.813 1.00 44.23 H new ATOM 685 N GLU A 50 23.362 24.215 -6.109 1.00 22.15 N ATOM 686 CA GLU A 50 23.975 23.684 -7.321 1.00 11.24 C ATOM 687 C GLU A 50 22.913 23.341 -8.362 1.00 3.52 C ATOM 688 O GLU A 50 23.234 22.954 -9.485 1.00 20.01 O ATOM 689 CB GLU A 50 24.807 22.441 -6.996 1.00 54.51 C ATOM 690 CG GLU A 50 25.684 21.979 -8.147 1.00 71.31 C ATOM 691 CD GLU A 50 26.671 20.905 -7.733 1.00 22.21 C ATOM 692 OE1 GLU A 50 26.226 19.795 -7.375 1.00 33.33 O ATOM 693 OE2 GLU A 50 27.890 21.175 -7.767 1.00 41.35 O ATOM 0 H GLU A 50 23.303 23.548 -5.339 1.00 22.15 H new ATOM 0 HA GLU A 50 24.629 24.452 -7.734 1.00 11.24 H new ATOM 0 HB2 GLU A 50 25.437 22.651 -6.132 1.00 54.51 H new ATOM 0 HB3 GLU A 50 24.137 21.629 -6.712 1.00 54.51 H new ATOM 0 HG2 GLU A 50 25.053 21.597 -8.949 1.00 71.31 H new ATOM 0 HG3 GLU A 50 26.229 22.833 -8.549 1.00 71.31 H new ATOM 700 N GLN A 51 21.649 23.487 -7.979 1.00 72.10 N ATOM 701 CA GLN A 51 20.540 23.192 -8.879 1.00 21.42 C ATOM 702 C GLN A 51 20.079 24.450 -9.606 1.00 12.42 C ATOM 703 O GLN A 51 19.990 24.473 -10.834 1.00 20.14 O ATOM 704 CB GLN A 51 19.373 22.581 -8.101 1.00 0.12 C ATOM 705 CG GLN A 51 19.761 21.364 -7.278 1.00 23.54 C ATOM 706 CD GLN A 51 20.232 20.205 -8.135 1.00 0.30 C ATOM 707 OE1 GLN A 51 21.425 19.906 -8.194 1.00 41.43 O ATOM 708 NE2 GLN A 51 19.295 19.545 -8.805 1.00 53.43 N ATOM 0 H GLN A 51 21.367 23.807 -7.053 1.00 72.10 H new ATOM 0 HA GLN A 51 20.889 22.474 -9.621 1.00 21.42 H new ATOM 0 HB2 GLN A 51 18.953 23.338 -7.439 1.00 0.12 H new ATOM 0 HB3 GLN A 51 18.588 22.299 -8.802 1.00 0.12 H new ATOM 0 HG2 GLN A 51 20.552 21.639 -6.580 1.00 23.54 H new ATOM 0 HG3 GLN A 51 18.906 21.046 -6.682 1.00 23.54 H new ATOM 0 HE21 GLN A 51 18.318 19.827 -8.727 1.00 53.43 H new ATOM 0 HE22 GLN A 51 19.552 18.756 -9.398 1.00 53.43 H new ATOM 717 N TYR A 52 19.786 25.496 -8.840 1.00 62.23 N ATOM 718 CA TYR A 52 19.331 26.758 -9.411 1.00 62.25 C ATOM 719 C TYR A 52 19.997 27.942 -8.717 1.00 31.33 C ATOM 720 O TYR A 52 19.404 28.613 -7.872 1.00 33.53 O ATOM 721 CB TYR A 52 17.810 26.874 -9.297 1.00 43.54 C ATOM 722 CG TYR A 52 17.218 26.017 -8.202 1.00 12.22 C ATOM 723 CD1 TYR A 52 17.591 26.194 -6.875 1.00 62.14 C ATOM 724 CD2 TYR A 52 16.283 25.031 -8.493 1.00 64.05 C ATOM 725 CE1 TYR A 52 17.053 25.412 -5.872 1.00 11.44 C ATOM 726 CE2 TYR A 52 15.739 24.246 -7.496 1.00 33.32 C ATOM 727 CZ TYR A 52 16.127 24.440 -6.187 1.00 30.13 C ATOM 728 OH TYR A 52 15.587 23.660 -5.189 1.00 44.24 O ATOM 0 H TYR A 52 19.856 25.494 -7.822 1.00 62.23 H new ATOM 0 HA TYR A 52 19.612 26.774 -10.464 1.00 62.25 H new ATOM 0 HB2 TYR A 52 17.546 27.916 -9.114 1.00 43.54 H new ATOM 0 HB3 TYR A 52 17.360 26.594 -10.249 1.00 43.54 H new ATOM 0 HD1 TYR A 52 18.314 26.956 -6.624 1.00 62.14 H new ATOM 0 HD2 TYR A 52 15.977 24.876 -9.517 1.00 64.05 H new ATOM 0 HE1 TYR A 52 17.356 25.561 -4.846 1.00 11.44 H new ATOM 0 HE2 TYR A 52 15.013 23.484 -7.740 1.00 33.32 H new ATOM 0 HH TYR A 52 14.950 23.025 -5.579 1.00 44.24 H new ATOM 738 N PRO A 53 21.260 28.206 -9.081 1.00 4.10 N ATOM 739 CA PRO A 53 22.035 29.310 -8.507 1.00 24.13 C ATOM 740 C PRO A 53 21.518 30.674 -8.951 1.00 63.11 C ATOM 741 O PRO A 53 21.973 31.709 -8.467 1.00 4.15 O ATOM 742 CB PRO A 53 23.447 29.071 -9.048 1.00 3.13 C ATOM 743 CG PRO A 53 23.245 28.304 -10.308 1.00 62.34 C ATOM 744 CD PRO A 53 22.030 27.448 -10.082 1.00 34.00 C ATOM 0 HA PRO A 53 21.978 29.325 -7.419 1.00 24.13 H new ATOM 0 HB2 PRO A 53 23.963 30.012 -9.236 1.00 3.13 H new ATOM 0 HB3 PRO A 53 24.054 28.511 -8.337 1.00 3.13 H new ATOM 0 HG2 PRO A 53 23.097 28.975 -11.154 1.00 62.34 H new ATOM 0 HG3 PRO A 53 24.117 27.691 -10.536 1.00 62.34 H new ATOM 0 HD2 PRO A 53 21.462 27.305 -11.002 1.00 34.00 H new ATOM 0 HD3 PRO A 53 22.299 26.457 -9.716 1.00 34.00 H new ATOM 752 N GLY A 54 20.564 30.667 -9.877 1.00 14.24 N ATOM 753 CA GLY A 54 20.000 31.910 -10.370 1.00 43.23 C ATOM 754 C GLY A 54 18.841 32.398 -9.524 1.00 71.32 C ATOM 755 O GLY A 54 18.668 33.602 -9.331 1.00 61.51 O ATOM 0 H GLY A 54 20.172 29.823 -10.294 1.00 14.24 H new ATOM 0 HA2 GLY A 54 20.777 32.674 -10.391 1.00 43.23 H new ATOM 0 HA3 GLY A 54 19.662 31.770 -11.397 1.00 43.23 H new ATOM 759 N ILE A 55 18.044 31.462 -9.020 1.00 31.20 N ATOM 760 CA ILE A 55 16.895 31.803 -8.191 1.00 12.42 C ATOM 761 C ILE A 55 17.323 32.583 -6.952 1.00 30.41 C ATOM 762 O ILE A 55 18.480 32.981 -6.827 1.00 44.34 O ATOM 763 CB ILE A 55 16.124 30.545 -7.751 1.00 21.32 C ATOM 764 CG1 ILE A 55 16.974 29.709 -6.791 1.00 12.30 C ATOM 765 CG2 ILE A 55 15.720 29.720 -8.964 1.00 11.03 C ATOM 766 CD1 ILE A 55 16.537 29.817 -5.347 1.00 11.32 C ATOM 0 H ILE A 55 18.173 30.462 -9.171 1.00 31.20 H new ATOM 0 HA ILE A 55 16.240 32.425 -8.801 1.00 12.42 H new ATOM 0 HB ILE A 55 15.219 30.856 -7.229 1.00 21.32 H new ATOM 0 HG12 ILE A 55 16.932 28.664 -7.098 1.00 12.30 H new ATOM 0 HG13 ILE A 55 18.014 30.024 -6.872 1.00 12.30 H new ATOM 0 HG21 ILE A 55 15.176 28.834 -8.637 1.00 11.03 H new ATOM 0 HG22 ILE A 55 15.082 30.318 -9.615 1.00 11.03 H new ATOM 0 HG23 ILE A 55 16.613 29.416 -9.511 1.00 11.03 H new ATOM 0 HD11 ILE A 55 17.183 29.199 -4.724 1.00 11.32 H new ATOM 0 HD12 ILE A 55 16.606 30.855 -5.023 1.00 11.32 H new ATOM 0 HD13 ILE A 55 15.507 29.475 -5.252 1.00 11.32 H new ATOM 778 N GLU A 56 16.381 32.794 -6.038 1.00 4.04 N ATOM 779 CA GLU A 56 16.662 33.525 -4.808 1.00 24.15 C ATOM 780 C GLU A 56 15.906 32.918 -3.629 1.00 63.22 C ATOM 781 O GLU A 56 14.702 33.124 -3.479 1.00 74.40 O ATOM 782 CB GLU A 56 16.284 34.999 -4.966 1.00 34.11 C ATOM 783 CG GLU A 56 17.482 35.928 -5.066 1.00 33.12 C ATOM 784 CD GLU A 56 18.264 36.013 -3.770 1.00 20.54 C ATOM 785 OE1 GLU A 56 17.629 36.129 -2.701 1.00 12.24 O ATOM 786 OE2 GLU A 56 19.510 35.962 -3.824 1.00 5.41 O ATOM 0 H GLU A 56 15.418 32.470 -6.126 1.00 4.04 H new ATOM 0 HA GLU A 56 17.731 33.451 -4.609 1.00 24.15 H new ATOM 0 HB2 GLU A 56 15.670 35.114 -5.859 1.00 34.11 H new ATOM 0 HB3 GLU A 56 15.671 35.301 -4.117 1.00 34.11 H new ATOM 0 HG2 GLU A 56 18.141 35.580 -5.862 1.00 33.12 H new ATOM 0 HG3 GLU A 56 17.142 36.925 -5.347 1.00 33.12 H new ATOM 793 N ILE A 57 16.622 32.169 -2.797 1.00 42.11 N ATOM 794 CA ILE A 57 16.020 31.533 -1.632 1.00 74.34 C ATOM 795 C ILE A 57 16.540 32.149 -0.338 1.00 54.53 C ATOM 796 O ILE A 57 17.716 32.494 -0.233 1.00 22.42 O ATOM 797 CB ILE A 57 16.296 30.018 -1.613 1.00 34.41 C ATOM 798 CG1 ILE A 57 15.890 29.421 -0.264 1.00 24.43 C ATOM 799 CG2 ILE A 57 17.764 29.743 -1.900 1.00 42.11 C ATOM 800 CD1 ILE A 57 14.416 29.565 0.043 1.00 41.04 C ATOM 0 H ILE A 57 17.620 31.988 -2.908 1.00 42.11 H new ATOM 0 HA ILE A 57 14.945 31.698 -1.703 1.00 74.34 H new ATOM 0 HB ILE A 57 15.699 29.545 -2.393 1.00 34.41 H new ATOM 0 HG12 ILE A 57 16.154 28.364 -0.250 1.00 24.43 H new ATOM 0 HG13 ILE A 57 16.466 29.904 0.526 1.00 24.43 H new ATOM 0 HG21 ILE A 57 17.943 28.668 -1.883 1.00 42.11 H new ATOM 0 HG22 ILE A 57 18.023 30.138 -2.882 1.00 42.11 H new ATOM 0 HG23 ILE A 57 18.380 30.225 -1.141 1.00 42.11 H new ATOM 0 HD11 ILE A 57 14.201 29.119 1.014 1.00 41.04 H new ATOM 0 HD12 ILE A 57 14.150 30.622 0.062 1.00 41.04 H new ATOM 0 HD13 ILE A 57 13.833 29.058 -0.726 1.00 41.04 H new ATOM 812 N GLU A 58 15.654 32.284 0.644 1.00 3.22 N ATOM 813 CA GLU A 58 16.025 32.859 1.932 1.00 21.31 C ATOM 814 C GLU A 58 15.188 32.257 3.057 1.00 3.04 C ATOM 815 O GLU A 58 14.244 31.507 2.810 1.00 11.14 O ATOM 816 CB GLU A 58 15.849 34.378 1.907 1.00 0.54 C ATOM 817 CG GLU A 58 17.032 35.119 1.306 1.00 72.54 C ATOM 818 CD GLU A 58 18.320 34.879 2.069 1.00 14.15 C ATOM 819 OE1 GLU A 58 18.244 34.496 3.256 1.00 43.15 O ATOM 820 OE2 GLU A 58 19.403 35.075 1.480 1.00 23.21 O ATOM 0 H GLU A 58 14.676 32.004 0.573 1.00 3.22 H new ATOM 0 HA GLU A 58 17.073 32.625 2.117 1.00 21.31 H new ATOM 0 HB2 GLU A 58 14.952 34.622 1.338 1.00 0.54 H new ATOM 0 HB3 GLU A 58 15.688 34.733 2.925 1.00 0.54 H new ATOM 0 HG2 GLU A 58 17.164 34.806 0.270 1.00 72.54 H new ATOM 0 HG3 GLU A 58 16.817 36.187 1.291 1.00 72.54 H new ATOM 827 N SER A 59 15.543 32.591 4.294 1.00 13.12 N ATOM 828 CA SER A 59 14.828 32.081 5.458 1.00 20.14 C ATOM 829 C SER A 59 13.904 33.147 6.039 1.00 53.05 C ATOM 830 O SER A 59 14.261 34.323 6.107 1.00 11.15 O ATOM 831 CB SER A 59 15.818 31.612 6.526 1.00 4.52 C ATOM 832 OG SER A 59 16.463 32.714 7.142 1.00 20.12 O ATOM 0 H SER A 59 16.321 33.212 4.516 1.00 13.12 H new ATOM 0 HA SER A 59 14.221 31.234 5.138 1.00 20.14 H new ATOM 0 HB2 SER A 59 15.293 31.025 7.280 1.00 4.52 H new ATOM 0 HB3 SER A 59 16.563 30.957 6.074 1.00 4.52 H new ATOM 0 HG SER A 59 17.089 32.388 7.822 1.00 20.12 H new ATOM 838 N ARG A 60 12.714 32.727 6.454 1.00 35.54 N ATOM 839 CA ARG A 60 11.736 33.644 7.028 1.00 44.24 C ATOM 840 C ARG A 60 11.189 33.102 8.345 1.00 41.51 C ATOM 841 O ARG A 60 11.425 31.947 8.699 1.00 25.34 O ATOM 842 CB ARG A 60 10.588 33.880 6.044 1.00 23.25 C ATOM 843 CG ARG A 60 10.070 35.309 6.044 1.00 22.32 C ATOM 844 CD ARG A 60 11.152 36.293 5.629 1.00 0.51 C ATOM 845 NE ARG A 60 11.720 36.998 6.775 1.00 20.03 N ATOM 846 CZ ARG A 60 12.697 37.893 6.678 1.00 61.43 C ATOM 847 NH1 ARG A 60 13.212 38.190 5.493 1.00 53.54 N ATOM 848 NH2 ARG A 60 13.161 38.492 7.767 1.00 61.40 N ATOM 0 H ARG A 60 12.403 31.757 6.404 1.00 35.54 H new ATOM 0 HA ARG A 60 12.236 34.592 7.226 1.00 44.24 H new ATOM 0 HB2 ARG A 60 10.924 33.624 5.039 1.00 23.25 H new ATOM 0 HB3 ARG A 60 9.767 33.205 6.287 1.00 23.25 H new ATOM 0 HG2 ARG A 60 9.222 35.390 5.363 1.00 22.32 H new ATOM 0 HG3 ARG A 60 9.706 35.565 7.039 1.00 22.32 H new ATOM 0 HD2 ARG A 60 11.944 35.760 5.102 1.00 0.51 H new ATOM 0 HD3 ARG A 60 10.735 37.017 4.929 1.00 0.51 H new ATOM 0 HE ARG A 60 11.346 36.792 7.701 1.00 20.03 H new ATOM 0 HH11 ARG A 60 12.858 37.731 4.654 1.00 53.54 H new ATOM 0 HH12 ARG A 60 13.962 38.877 5.421 1.00 53.54 H new ATOM 0 HH21 ARG A 60 12.768 38.266 8.680 1.00 61.40 H new ATOM 0 HH22 ARG A 60 13.911 39.179 7.691 1.00 61.40 H new ATOM 862 N LEU A 61 10.458 33.944 9.066 1.00 14.45 N ATOM 863 CA LEU A 61 9.877 33.551 10.345 1.00 34.24 C ATOM 864 C LEU A 61 8.386 33.262 10.200 1.00 11.15 C ATOM 865 O LEU A 61 7.696 33.891 9.399 1.00 3.32 O ATOM 866 CB LEU A 61 10.096 34.649 11.387 1.00 1.12 C ATOM 867 CG LEU A 61 11.328 34.492 12.279 1.00 22.20 C ATOM 868 CD1 LEU A 61 11.226 33.223 13.111 1.00 2.24 C ATOM 869 CD2 LEU A 61 12.597 34.480 11.439 1.00 52.04 C ATOM 0 H LEU A 61 10.253 34.904 8.787 1.00 14.45 H new ATOM 0 HA LEU A 61 10.375 32.640 10.677 1.00 34.24 H new ATOM 0 HB2 LEU A 61 10.167 35.605 10.868 1.00 1.12 H new ATOM 0 HB3 LEU A 61 9.214 34.697 12.025 1.00 1.12 H new ATOM 0 HG LEU A 61 11.373 35.344 12.957 1.00 22.20 H new ATOM 0 HD11 LEU A 61 12.111 33.128 13.740 1.00 2.24 H new ATOM 0 HD12 LEU A 61 10.338 33.271 13.741 1.00 2.24 H new ATOM 0 HD13 LEU A 61 11.156 32.359 12.450 1.00 2.24 H new ATOM 0 HD21 LEU A 61 13.464 34.368 12.091 1.00 52.04 H new ATOM 0 HD22 LEU A 61 12.561 33.647 10.737 1.00 52.04 H new ATOM 0 HD23 LEU A 61 12.677 35.417 10.887 1.00 52.04 H new ATOM 881 N GLY A 62 7.894 32.307 10.984 1.00 63.42 N ATOM 882 CA GLY A 62 6.488 31.953 10.929 1.00 70.22 C ATOM 883 C GLY A 62 5.803 32.090 12.274 1.00 74.32 C ATOM 884 O GLY A 62 4.699 32.627 12.365 1.00 64.45 O ATOM 0 H GLY A 62 8.444 31.772 11.656 1.00 63.42 H new ATOM 0 HA2 GLY A 62 5.984 32.590 10.202 1.00 70.22 H new ATOM 0 HA3 GLY A 62 6.388 30.926 10.577 1.00 70.22 H new ATOM 888 N GLY A 63 6.458 31.601 13.323 1.00 75.13 N ATOM 889 CA GLY A 63 5.888 31.680 14.655 1.00 22.53 C ATOM 890 C GLY A 63 6.525 30.695 15.617 1.00 54.53 C ATOM 891 O GLY A 63 7.215 31.091 16.556 1.00 3.33 O ATOM 0 H GLY A 63 7.373 31.152 13.274 1.00 75.13 H new ATOM 0 HA2 GLY A 63 6.012 32.692 15.041 1.00 22.53 H new ATOM 0 HA3 GLY A 63 4.816 31.489 14.600 1.00 22.53 H new ATOM 895 N THR A 64 6.291 29.408 15.384 1.00 62.52 N ATOM 896 CA THR A 64 6.844 28.364 16.238 1.00 60.02 C ATOM 897 C THR A 64 6.493 26.978 15.709 1.00 25.22 C ATOM 898 O THR A 64 5.378 26.743 15.246 1.00 44.35 O ATOM 899 CB THR A 64 6.333 28.493 17.685 1.00 3.22 C ATOM 900 OG1 THR A 64 7.047 27.592 18.539 1.00 73.32 O ATOM 901 CG2 THR A 64 4.843 28.199 17.761 1.00 14.33 C ATOM 0 H THR A 64 5.722 29.063 14.611 1.00 62.52 H new ATOM 0 HA THR A 64 7.927 28.490 16.230 1.00 60.02 H new ATOM 0 HB THR A 64 6.502 29.518 18.017 1.00 3.22 H new ATOM 0 HG1 THR A 64 6.717 27.681 19.458 1.00 73.32 H new ATOM 0 HG21 THR A 64 4.505 28.296 18.793 1.00 14.33 H new ATOM 0 HG22 THR A 64 4.300 28.906 17.133 1.00 14.33 H new ATOM 0 HG23 THR A 64 4.654 27.184 17.412 1.00 14.33 H new ATOM 909 N GLY A 65 7.454 26.061 15.783 1.00 73.13 N ATOM 910 CA GLY A 65 7.226 24.709 15.308 1.00 31.52 C ATOM 911 C GLY A 65 6.472 24.675 13.994 1.00 74.41 C ATOM 912 O GLY A 65 5.521 23.909 13.836 1.00 40.23 O ATOM 0 H GLY A 65 8.385 26.231 16.163 1.00 73.13 H new ATOM 0 HA2 GLY A 65 8.184 24.204 15.187 1.00 31.52 H new ATOM 0 HA3 GLY A 65 6.665 24.153 16.059 1.00 31.52 H new ATOM 916 N ALA A 66 6.895 25.508 13.049 1.00 72.32 N ATOM 917 CA ALA A 66 6.253 25.570 11.742 1.00 72.43 C ATOM 918 C ALA A 66 7.264 25.345 10.622 1.00 12.33 C ATOM 919 O ALA A 66 8.473 25.423 10.840 1.00 42.44 O ATOM 920 CB ALA A 66 5.551 26.907 11.561 1.00 11.43 C ATOM 0 H ALA A 66 7.680 26.149 13.164 1.00 72.32 H new ATOM 0 HA ALA A 66 5.511 24.773 11.692 1.00 72.43 H new ATOM 0 HB1 ALA A 66 5.076 26.939 10.580 1.00 11.43 H new ATOM 0 HB2 ALA A 66 4.793 27.028 12.335 1.00 11.43 H new ATOM 0 HB3 ALA A 66 6.280 27.714 11.638 1.00 11.43 H new ATOM 926 N PHE A 67 6.761 25.066 9.424 1.00 20.45 N ATOM 927 CA PHE A 67 7.621 24.828 8.271 1.00 51.11 C ATOM 928 C PHE A 67 6.905 25.196 6.974 1.00 4.03 C ATOM 929 O PHE A 67 7.010 24.488 5.973 1.00 24.05 O ATOM 930 CB PHE A 67 8.058 23.362 8.227 1.00 1.41 C ATOM 931 CG PHE A 67 9.467 23.171 7.744 1.00 43.53 C ATOM 932 CD1 PHE A 67 9.755 23.175 6.388 1.00 23.14 C ATOM 933 CD2 PHE A 67 10.504 22.988 8.645 1.00 71.14 C ATOM 934 CE1 PHE A 67 11.051 23.000 5.940 1.00 21.22 C ATOM 935 CE2 PHE A 67 11.801 22.813 8.202 1.00 25.23 C ATOM 936 CZ PHE A 67 12.075 22.817 6.849 1.00 43.55 C ATOM 0 H PHE A 67 5.763 24.999 9.227 1.00 20.45 H new ATOM 0 HA PHE A 67 8.504 25.460 8.371 1.00 51.11 H new ATOM 0 HB2 PHE A 67 7.963 22.933 9.224 1.00 1.41 H new ATOM 0 HB3 PHE A 67 7.381 22.809 7.576 1.00 1.41 H new ATOM 0 HD1 PHE A 67 8.958 23.316 5.673 1.00 23.14 H new ATOM 0 HD2 PHE A 67 10.296 22.982 9.705 1.00 71.14 H new ATOM 0 HE1 PHE A 67 11.263 23.006 4.881 1.00 21.22 H new ATOM 0 HE2 PHE A 67 12.601 22.673 8.914 1.00 25.23 H new ATOM 0 HZ PHE A 67 13.088 22.677 6.502 1.00 43.55 H new ATOM 946 N GLU A 68 6.178 26.308 7.002 1.00 52.30 N ATOM 947 CA GLU A 68 5.444 26.769 5.829 1.00 13.44 C ATOM 948 C GLU A 68 6.402 27.207 4.725 1.00 33.40 C ATOM 949 O GLU A 68 7.179 28.146 4.899 1.00 31.31 O ATOM 950 CB GLU A 68 4.517 27.928 6.204 1.00 73.24 C ATOM 951 CG GLU A 68 3.605 27.622 7.380 1.00 11.11 C ATOM 952 CD GLU A 68 2.435 26.737 6.997 1.00 62.51 C ATOM 953 OE1 GLU A 68 2.676 25.606 6.525 1.00 31.20 O ATOM 954 OE2 GLU A 68 1.279 27.175 7.170 1.00 75.14 O ATOM 0 H GLU A 68 6.081 26.906 7.823 1.00 52.30 H new ATOM 0 HA GLU A 68 4.844 25.938 5.457 1.00 13.44 H new ATOM 0 HB2 GLU A 68 5.122 28.803 6.442 1.00 73.24 H new ATOM 0 HB3 GLU A 68 3.906 28.188 5.339 1.00 73.24 H new ATOM 0 HG2 GLU A 68 4.183 27.134 8.165 1.00 11.11 H new ATOM 0 HG3 GLU A 68 3.228 28.557 7.795 1.00 11.11 H new ATOM 961 N ILE A 69 6.340 26.519 3.590 1.00 70.31 N ATOM 962 CA ILE A 69 7.201 26.836 2.457 1.00 31.33 C ATOM 963 C ILE A 69 6.510 27.793 1.493 1.00 53.25 C ATOM 964 O ILE A 69 5.310 27.680 1.244 1.00 70.11 O ATOM 965 CB ILE A 69 7.616 25.565 1.693 1.00 51.05 C ATOM 966 CG1 ILE A 69 8.330 24.590 2.630 1.00 24.42 C ATOM 967 CG2 ILE A 69 8.508 25.924 0.513 1.00 13.03 C ATOM 968 CD1 ILE A 69 8.736 23.295 1.961 1.00 54.02 C ATOM 0 H ILE A 69 5.703 25.739 3.430 1.00 70.31 H new ATOM 0 HA ILE A 69 8.093 27.314 2.862 1.00 31.33 H new ATOM 0 HB ILE A 69 6.718 25.080 1.311 1.00 51.05 H new ATOM 0 HG12 ILE A 69 9.218 25.074 3.036 1.00 24.42 H new ATOM 0 HG13 ILE A 69 7.677 24.365 3.473 1.00 24.42 H new ATOM 0 HG21 ILE A 69 8.793 25.015 -0.017 1.00 13.03 H new ATOM 0 HG22 ILE A 69 7.967 26.585 -0.164 1.00 13.03 H new ATOM 0 HG23 ILE A 69 9.404 26.429 0.874 1.00 13.03 H new ATOM 0 HD11 ILE A 69 9.237 22.653 2.685 1.00 54.02 H new ATOM 0 HD12 ILE A 69 7.849 22.789 1.579 1.00 54.02 H new ATOM 0 HD13 ILE A 69 9.415 23.509 1.136 1.00 54.02 H new ATOM 980 N GLU A 70 7.276 28.735 0.951 1.00 62.31 N ATOM 981 CA GLU A 70 6.737 29.711 0.012 1.00 11.40 C ATOM 982 C GLU A 70 7.554 29.737 -1.276 1.00 64.12 C ATOM 983 O GLU A 70 8.588 30.401 -1.355 1.00 1.55 O ATOM 984 CB GLU A 70 6.719 31.104 0.645 1.00 14.31 C ATOM 985 CG GLU A 70 5.836 31.201 1.878 1.00 25.14 C ATOM 986 CD GLU A 70 5.684 32.625 2.376 1.00 33.04 C ATOM 987 OE1 GLU A 70 6.673 33.385 2.315 1.00 34.12 O ATOM 988 OE2 GLU A 70 4.574 32.979 2.827 1.00 1.32 O ATOM 0 H GLU A 70 8.271 28.842 1.146 1.00 62.31 H new ATOM 0 HA GLU A 70 5.716 29.416 -0.232 1.00 11.40 H new ATOM 0 HB2 GLU A 70 7.737 31.384 0.915 1.00 14.31 H new ATOM 0 HB3 GLU A 70 6.375 31.826 -0.096 1.00 14.31 H new ATOM 0 HG2 GLU A 70 4.852 30.793 1.648 1.00 25.14 H new ATOM 0 HG3 GLU A 70 6.258 30.585 2.672 1.00 25.14 H new ATOM 995 N ILE A 71 7.084 29.008 -2.283 1.00 10.41 N ATOM 996 CA ILE A 71 7.770 28.948 -3.567 1.00 65.33 C ATOM 997 C ILE A 71 7.737 30.299 -4.273 1.00 0.10 C ATOM 998 O ILE A 71 8.556 30.574 -5.148 1.00 64.14 O ATOM 999 CB ILE A 71 7.146 27.884 -4.490 1.00 21.04 C ATOM 1000 CG1 ILE A 71 7.908 27.816 -5.815 1.00 13.21 C ATOM 1001 CG2 ILE A 71 5.676 28.191 -4.732 1.00 71.35 C ATOM 1002 CD1 ILE A 71 9.386 27.544 -5.649 1.00 24.32 C ATOM 0 H ILE A 71 6.231 28.451 -2.234 1.00 10.41 H new ATOM 0 HA ILE A 71 8.805 28.675 -3.358 1.00 65.33 H new ATOM 0 HB ILE A 71 7.219 26.912 -4.002 1.00 21.04 H new ATOM 0 HG12 ILE A 71 7.471 27.035 -6.437 1.00 13.21 H new ATOM 0 HG13 ILE A 71 7.778 28.758 -6.348 1.00 13.21 H new ATOM 0 HG21 ILE A 71 5.248 27.431 -5.386 1.00 71.35 H new ATOM 0 HG22 ILE A 71 5.143 28.193 -3.781 1.00 71.35 H new ATOM 0 HG23 ILE A 71 5.581 29.169 -5.203 1.00 71.35 H new ATOM 0 HD11 ILE A 71 9.862 27.509 -6.629 1.00 24.32 H new ATOM 0 HD12 ILE A 71 9.838 28.338 -5.054 1.00 24.32 H new ATOM 0 HD13 ILE A 71 9.526 26.588 -5.144 1.00 24.32 H new ATOM 1014 N ASN A 72 6.784 31.140 -3.884 1.00 42.10 N ATOM 1015 CA ASN A 72 6.644 32.465 -4.479 1.00 24.54 C ATOM 1016 C ASN A 72 6.228 33.491 -3.429 1.00 63.21 C ATOM 1017 O ASN A 72 5.484 34.425 -3.721 1.00 14.52 O ATOM 1018 CB ASN A 72 5.617 32.432 -5.612 1.00 32.23 C ATOM 1019 CG ASN A 72 6.246 32.111 -6.954 1.00 0.13 C ATOM 1020 OD1 ASN A 72 6.370 32.980 -7.817 1.00 71.32 O ATOM 1021 ND2 ASN A 72 6.647 30.858 -7.135 1.00 12.03 N ATOM 0 H ASN A 72 6.098 30.928 -3.160 1.00 42.10 H new ATOM 0 HA ASN A 72 7.612 32.759 -4.884 1.00 24.54 H new ATOM 0 HB2 ASN A 72 4.853 31.688 -5.385 1.00 32.23 H new ATOM 0 HB3 ASN A 72 5.114 33.397 -5.671 1.00 32.23 H new ATOM 0 HD21 ASN A 72 7.078 30.583 -8.018 1.00 12.03 H new ATOM 0 HD22 ASN A 72 6.524 30.171 -6.391 1.00 12.03 H new ATOM 1028 N GLY A 73 6.716 33.309 -2.205 1.00 51.15 N ATOM 1029 CA GLY A 73 6.384 34.227 -1.131 1.00 64.31 C ATOM 1030 C GLY A 73 5.066 33.887 -0.465 1.00 0.13 C ATOM 1031 O GLY A 73 4.698 34.494 0.541 1.00 72.14 O ATOM 0 H GLY A 73 7.335 32.543 -1.939 1.00 51.15 H new ATOM 0 HA2 GLY A 73 7.179 34.212 -0.385 1.00 64.31 H new ATOM 0 HA3 GLY A 73 6.337 35.242 -1.526 1.00 64.31 H new ATOM 1035 N GLN A 74 4.353 32.916 -1.027 1.00 4.22 N ATOM 1036 CA GLN A 74 3.067 32.499 -0.481 1.00 41.31 C ATOM 1037 C GLN A 74 3.079 31.015 -0.132 1.00 62.32 C ATOM 1038 O GLN A 74 3.753 30.218 -0.786 1.00 65.11 O ATOM 1039 CB GLN A 74 1.947 32.791 -1.481 1.00 15.44 C ATOM 1040 CG GLN A 74 1.416 34.214 -1.402 1.00 25.02 C ATOM 1041 CD GLN A 74 0.753 34.517 -0.073 1.00 34.41 C ATOM 1042 OE1 GLN A 74 -0.404 34.160 0.152 1.00 72.32 O ATOM 1043 NE2 GLN A 74 1.483 35.178 0.817 1.00 2.11 N ATOM 0 H GLN A 74 4.644 32.404 -1.860 1.00 4.22 H new ATOM 0 HA GLN A 74 2.887 33.066 0.432 1.00 41.31 H new ATOM 0 HB2 GLN A 74 2.315 32.605 -2.490 1.00 15.44 H new ATOM 0 HB3 GLN A 74 1.126 32.096 -1.307 1.00 15.44 H new ATOM 0 HG2 GLN A 74 2.237 34.913 -1.562 1.00 25.02 H new ATOM 0 HG3 GLN A 74 0.699 34.375 -2.207 1.00 25.02 H new ATOM 0 HE21 GLN A 74 2.438 35.455 0.589 1.00 2.11 H new ATOM 0 HE22 GLN A 74 1.089 35.409 1.729 1.00 2.11 H new ATOM 1052 N LEU A 75 2.330 30.649 0.902 1.00 12.20 N ATOM 1053 CA LEU A 75 2.254 29.259 1.339 1.00 42.33 C ATOM 1054 C LEU A 75 1.690 28.371 0.234 1.00 4.40 C ATOM 1055 O LEU A 75 0.604 28.625 -0.287 1.00 22.40 O ATOM 1056 CB LEU A 75 1.387 29.145 2.593 1.00 34.14 C ATOM 1057 CG LEU A 75 1.209 27.736 3.161 1.00 62.05 C ATOM 1058 CD1 LEU A 75 2.562 27.092 3.423 1.00 53.01 C ATOM 1059 CD2 LEU A 75 0.379 27.775 4.435 1.00 33.20 C ATOM 0 H LEU A 75 1.766 31.296 1.454 1.00 12.20 H new ATOM 0 HA LEU A 75 3.264 28.921 1.571 1.00 42.33 H new ATOM 0 HB2 LEU A 75 1.821 29.776 3.369 1.00 34.14 H new ATOM 0 HB3 LEU A 75 0.401 29.551 2.367 1.00 34.14 H new ATOM 0 HG LEU A 75 0.678 27.132 2.425 1.00 62.05 H new ATOM 0 HD11 LEU A 75 2.416 26.090 3.827 1.00 53.01 H new ATOM 0 HD12 LEU A 75 3.122 27.029 2.490 1.00 53.01 H new ATOM 0 HD13 LEU A 75 3.119 27.695 4.140 1.00 53.01 H new ATOM 0 HD21 LEU A 75 0.263 26.764 4.825 1.00 33.20 H new ATOM 0 HD22 LEU A 75 0.881 28.395 5.178 1.00 33.20 H new ATOM 0 HD23 LEU A 75 -0.603 28.195 4.217 1.00 33.20 H new ATOM 1071 N VAL A 76 2.435 27.328 -0.117 1.00 63.14 N ATOM 1072 CA VAL A 76 2.009 26.400 -1.158 1.00 34.22 C ATOM 1073 C VAL A 76 1.853 24.988 -0.604 1.00 62.25 C ATOM 1074 O VAL A 76 1.070 24.190 -1.120 1.00 63.25 O ATOM 1075 CB VAL A 76 3.007 26.373 -2.330 1.00 42.11 C ATOM 1076 CG1 VAL A 76 2.996 27.701 -3.072 1.00 32.11 C ATOM 1077 CG2 VAL A 76 4.406 26.044 -1.831 1.00 11.15 C ATOM 0 H VAL A 76 3.337 27.104 0.304 1.00 63.14 H new ATOM 0 HA VAL A 76 1.044 26.754 -1.522 1.00 34.22 H new ATOM 0 HB VAL A 76 2.701 25.592 -3.026 1.00 42.11 H new ATOM 0 HG11 VAL A 76 3.708 27.663 -3.897 1.00 32.11 H new ATOM 0 HG12 VAL A 76 1.997 27.891 -3.463 1.00 32.11 H new ATOM 0 HG13 VAL A 76 3.276 28.502 -2.388 1.00 32.11 H new ATOM 0 HG21 VAL A 76 5.098 26.029 -2.673 1.00 11.15 H new ATOM 0 HG22 VAL A 76 4.724 26.800 -1.113 1.00 11.15 H new ATOM 0 HG23 VAL A 76 4.400 25.066 -1.349 1.00 11.15 H new ATOM 1087 N PHE A 77 2.604 24.685 0.449 1.00 10.35 N ATOM 1088 CA PHE A 77 2.550 23.368 1.074 1.00 44.44 C ATOM 1089 C PHE A 77 3.022 23.434 2.523 1.00 14.14 C ATOM 1090 O PHE A 77 4.105 23.942 2.813 1.00 70.11 O ATOM 1091 CB PHE A 77 3.410 22.374 0.291 1.00 43.14 C ATOM 1092 CG PHE A 77 2.738 21.841 -0.942 1.00 50.13 C ATOM 1093 CD1 PHE A 77 1.735 20.890 -0.844 1.00 64.22 C ATOM 1094 CD2 PHE A 77 3.108 22.292 -2.199 1.00 61.10 C ATOM 1095 CE1 PHE A 77 1.116 20.397 -1.977 1.00 52.22 C ATOM 1096 CE2 PHE A 77 2.492 21.803 -3.336 1.00 12.23 C ATOM 1097 CZ PHE A 77 1.494 20.855 -3.224 1.00 54.33 C ATOM 0 H PHE A 77 3.258 25.333 0.888 1.00 10.35 H new ATOM 0 HA PHE A 77 1.514 23.030 1.063 1.00 44.44 H new ATOM 0 HB2 PHE A 77 4.343 22.859 0.005 1.00 43.14 H new ATOM 0 HB3 PHE A 77 3.671 21.540 0.942 1.00 43.14 H new ATOM 0 HD1 PHE A 77 1.434 20.530 0.129 1.00 64.22 H new ATOM 0 HD2 PHE A 77 3.887 23.034 -2.292 1.00 61.10 H new ATOM 0 HE1 PHE A 77 0.337 19.654 -1.887 1.00 52.22 H new ATOM 0 HE2 PHE A 77 2.791 22.162 -4.310 1.00 12.23 H new ATOM 0 HZ PHE A 77 1.010 20.472 -4.110 1.00 54.33 H new ATOM 1107 N SER A 78 2.199 22.917 3.431 1.00 42.33 N ATOM 1108 CA SER A 78 2.529 22.921 4.851 1.00 33.32 C ATOM 1109 C SER A 78 3.138 21.586 5.271 1.00 42.43 C ATOM 1110 O SER A 78 2.826 20.541 4.700 1.00 21.24 O ATOM 1111 CB SER A 78 1.279 23.208 5.686 1.00 41.34 C ATOM 1112 OG SER A 78 0.691 24.443 5.315 1.00 43.33 O ATOM 0 H SER A 78 1.300 22.491 3.208 1.00 42.33 H new ATOM 0 HA SER A 78 3.263 23.707 5.026 1.00 33.32 H new ATOM 0 HB2 SER A 78 0.556 22.403 5.553 1.00 41.34 H new ATOM 0 HB3 SER A 78 1.541 23.230 6.744 1.00 41.34 H new ATOM 0 HG SER A 78 1.349 25.162 5.416 1.00 43.33 H new ATOM 1118 N LYS A 79 4.010 21.630 6.272 1.00 1.44 N ATOM 1119 CA LYS A 79 4.664 20.427 6.771 1.00 21.44 C ATOM 1120 C LYS A 79 4.361 20.216 8.251 1.00 13.24 C ATOM 1121 O LYS A 79 4.035 19.107 8.677 1.00 4.24 O ATOM 1122 CB LYS A 79 6.177 20.517 6.558 1.00 52.40 C ATOM 1123 CG LYS A 79 6.688 19.625 5.441 1.00 61.34 C ATOM 1124 CD LYS A 79 6.130 20.045 4.091 1.00 34.14 C ATOM 1125 CE LYS A 79 7.120 20.904 3.321 1.00 3.42 C ATOM 1126 NZ LYS A 79 8.293 20.115 2.854 1.00 44.11 N ATOM 0 H LYS A 79 4.280 22.487 6.754 1.00 1.44 H new ATOM 0 HA LYS A 79 4.275 19.575 6.213 1.00 21.44 H new ATOM 0 HB2 LYS A 79 6.443 21.551 6.337 1.00 52.40 H new ATOM 0 HB3 LYS A 79 6.683 20.249 7.486 1.00 52.40 H new ATOM 0 HG2 LYS A 79 7.777 19.663 5.413 1.00 61.34 H new ATOM 0 HG3 LYS A 79 6.410 18.591 5.644 1.00 61.34 H new ATOM 0 HD2 LYS A 79 5.884 19.159 3.506 1.00 34.14 H new ATOM 0 HD3 LYS A 79 5.202 20.599 4.236 1.00 34.14 H new ATOM 0 HE2 LYS A 79 6.620 21.354 2.463 1.00 3.42 H new ATOM 0 HE3 LYS A 79 7.462 21.722 3.956 1.00 3.42 H new ATOM 0 HZ1 LYS A 79 8.741 20.601 2.051 1.00 44.11 H new ATOM 0 HZ2 LYS A 79 8.980 20.023 3.629 1.00 44.11 H new ATOM 0 HZ3 LYS A 79 7.979 19.170 2.555 1.00 44.11 H new ATOM 1140 N LEU A 80 4.467 21.287 9.030 1.00 25.14 N ATOM 1141 CA LEU A 80 4.203 21.220 10.463 1.00 33.15 C ATOM 1142 C LEU A 80 2.849 20.573 10.737 1.00 31.24 C ATOM 1143 O LEU A 80 2.656 19.929 11.768 1.00 13.44 O ATOM 1144 CB LEU A 80 4.244 22.621 11.076 1.00 43.02 C ATOM 1145 CG LEU A 80 3.009 23.492 10.845 1.00 74.54 C ATOM 1146 CD1 LEU A 80 2.952 24.619 11.863 1.00 12.23 C ATOM 1147 CD2 LEU A 80 3.006 24.049 9.429 1.00 63.14 C ATOM 0 H LEU A 80 4.734 22.212 8.693 1.00 25.14 H new ATOM 0 HA LEU A 80 4.979 20.607 10.922 1.00 33.15 H new ATOM 0 HB2 LEU A 80 4.397 22.521 12.151 1.00 43.02 H new ATOM 0 HB3 LEU A 80 5.113 23.145 10.677 1.00 43.02 H new ATOM 0 HG LEU A 80 2.122 22.871 10.972 1.00 74.54 H new ATOM 0 HD11 LEU A 80 2.066 25.228 11.682 1.00 12.23 H new ATOM 0 HD12 LEU A 80 2.905 24.200 12.868 1.00 12.23 H new ATOM 0 HD13 LEU A 80 3.844 25.239 11.770 1.00 12.23 H new ATOM 0 HD21 LEU A 80 2.120 24.666 9.283 1.00 63.14 H new ATOM 0 HD22 LEU A 80 3.899 24.654 9.274 1.00 63.14 H new ATOM 0 HD23 LEU A 80 2.997 23.226 8.714 1.00 63.14 H new ATOM 1159 N GLU A 81 1.916 20.747 9.806 1.00 23.42 N ATOM 1160 CA GLU A 81 0.581 20.178 9.948 1.00 61.23 C ATOM 1161 C GLU A 81 0.482 18.836 9.229 1.00 64.45 C ATOM 1162 O GLU A 81 -0.016 17.857 9.784 1.00 41.44 O ATOM 1163 CB GLU A 81 -0.470 21.143 9.395 1.00 2.25 C ATOM 1164 CG GLU A 81 -0.279 21.475 7.925 1.00 61.40 C ATOM 1165 CD GLU A 81 -1.146 22.632 7.470 1.00 15.14 C ATOM 1166 OE1 GLU A 81 -1.256 23.622 8.224 1.00 44.54 O ATOM 1167 OE2 GLU A 81 -1.716 22.548 6.363 1.00 73.14 O ATOM 0 H GLU A 81 2.060 21.277 8.946 1.00 23.42 H new ATOM 0 HA GLU A 81 0.394 20.017 11.010 1.00 61.23 H new ATOM 0 HB2 GLU A 81 -1.460 20.708 9.535 1.00 2.25 H new ATOM 0 HB3 GLU A 81 -0.443 22.066 9.974 1.00 2.25 H new ATOM 0 HG2 GLU A 81 0.768 21.718 7.745 1.00 61.40 H new ATOM 0 HG3 GLU A 81 -0.510 20.595 7.325 1.00 61.40 H new ATOM 1174 N ASN A 82 0.961 18.798 7.989 1.00 11.41 N ATOM 1175 CA ASN A 82 0.926 17.577 7.193 1.00 51.34 C ATOM 1176 C ASN A 82 1.612 16.429 7.927 1.00 54.02 C ATOM 1177 O ASN A 82 1.003 15.391 8.183 1.00 64.34 O ATOM 1178 CB ASN A 82 1.601 17.807 5.839 1.00 51.12 C ATOM 1179 CG ASN A 82 1.368 16.660 4.875 1.00 63.13 C ATOM 1180 OD1 ASN A 82 0.402 16.662 4.112 1.00 61.23 O ATOM 1181 ND2 ASN A 82 2.256 15.672 4.905 1.00 13.43 N ATOM 0 H ASN A 82 1.378 19.599 7.514 1.00 11.41 H new ATOM 0 HA ASN A 82 -0.118 17.309 7.031 1.00 51.34 H new ATOM 0 HB2 ASN A 82 1.223 18.730 5.400 1.00 51.12 H new ATOM 0 HB3 ASN A 82 2.672 17.941 5.988 1.00 51.12 H new ATOM 0 HD21 ASN A 82 2.152 14.874 4.279 1.00 13.43 H new ATOM 0 HD22 ASN A 82 3.042 15.712 5.554 1.00 13.43 H new ATOM 1188 N GLY A 83 2.883 16.624 8.264 1.00 51.41 N ATOM 1189 CA GLY A 83 3.630 15.597 8.966 1.00 44.51 C ATOM 1190 C GLY A 83 5.129 15.799 8.863 1.00 63.22 C ATOM 1191 O GLY A 83 5.887 15.314 9.702 1.00 70.41 O ATOM 0 H GLY A 83 3.409 17.475 8.063 1.00 51.41 H new ATOM 0 HA2 GLY A 83 3.338 15.593 10.016 1.00 44.51 H new ATOM 0 HA3 GLY A 83 3.369 14.620 8.559 1.00 44.51 H new ATOM 1236 N TYR A 87 11.117 16.603 0.565 1.00 1.54 N ATOM 1237 CA TYR A 87 11.762 15.873 -0.519 1.00 23.41 C ATOM 1238 C TYR A 87 12.539 16.820 -1.428 1.00 1.21 C ATOM 1239 O TYR A 87 12.026 17.859 -1.843 1.00 20.23 O ATOM 1240 CB TYR A 87 10.721 15.105 -1.335 1.00 21.53 C ATOM 1241 CG TYR A 87 9.709 14.369 -0.486 1.00 23.43 C ATOM 1242 CD1 TYR A 87 10.081 13.267 0.275 1.00 71.24 C ATOM 1243 CD2 TYR A 87 8.381 14.776 -0.443 1.00 45.03 C ATOM 1244 CE1 TYR A 87 9.160 12.591 1.051 1.00 55.10 C ATOM 1245 CE2 TYR A 87 7.454 14.107 0.331 1.00 15.25 C ATOM 1246 CZ TYR A 87 7.847 13.015 1.076 1.00 3.23 C ATOM 1247 OH TYR A 87 6.927 12.346 1.850 1.00 73.45 O ATOM 0 HA TYR A 87 12.464 15.165 -0.078 1.00 23.41 H new ATOM 0 HB2 TYR A 87 10.196 15.803 -1.988 1.00 21.53 H new ATOM 0 HB3 TYR A 87 11.232 14.389 -1.979 1.00 21.53 H new ATOM 0 HD1 TYR A 87 11.108 12.934 0.259 1.00 71.24 H new ATOM 0 HD2 TYR A 87 8.069 15.630 -1.025 1.00 45.03 H new ATOM 0 HE1 TYR A 87 9.466 11.735 1.635 1.00 55.10 H new ATOM 0 HE2 TYR A 87 6.426 14.437 0.353 1.00 15.25 H new ATOM 0 HH TYR A 87 6.049 12.772 1.757 1.00 73.45 H new ATOM 1257 N GLU A 88 13.780 16.453 -1.733 1.00 73.43 N ATOM 1258 CA GLU A 88 14.628 17.270 -2.593 1.00 70.40 C ATOM 1259 C GLU A 88 13.946 17.540 -3.931 1.00 43.22 C ATOM 1260 O GLU A 88 14.084 18.621 -4.504 1.00 42.22 O ATOM 1261 CB GLU A 88 15.974 16.579 -2.824 1.00 74.22 C ATOM 1262 CG GLU A 88 15.852 15.214 -3.482 1.00 4.44 C ATOM 1263 CD GLU A 88 17.006 14.294 -3.133 1.00 11.14 C ATOM 1264 OE1 GLU A 88 18.107 14.808 -2.844 1.00 22.43 O ATOM 1265 OE2 GLU A 88 16.808 13.061 -3.149 1.00 0.43 O ATOM 0 H GLU A 88 14.220 15.596 -1.398 1.00 73.43 H new ATOM 0 HA GLU A 88 14.798 18.223 -2.093 1.00 70.40 H new ATOM 0 HB2 GLU A 88 16.599 17.219 -3.447 1.00 74.22 H new ATOM 0 HB3 GLU A 88 16.485 16.468 -1.868 1.00 74.22 H new ATOM 0 HG2 GLU A 88 14.915 14.749 -3.175 1.00 4.44 H new ATOM 0 HG3 GLU A 88 15.806 15.339 -4.564 1.00 4.44 H new ATOM 1272 N LYS A 89 13.210 16.550 -4.424 1.00 63.05 N ATOM 1273 CA LYS A 89 12.506 16.679 -5.694 1.00 73.14 C ATOM 1274 C LYS A 89 11.243 17.519 -5.533 1.00 50.31 C ATOM 1275 O LYS A 89 10.703 18.039 -6.510 1.00 34.41 O ATOM 1276 CB LYS A 89 12.145 15.297 -6.244 1.00 34.15 C ATOM 1277 CG LYS A 89 11.006 14.624 -5.497 1.00 13.31 C ATOM 1278 CD LYS A 89 10.914 13.145 -5.834 1.00 4.42 C ATOM 1279 CE LYS A 89 10.174 12.372 -4.753 1.00 42.23 C ATOM 1280 NZ LYS A 89 10.196 10.905 -5.007 1.00 51.15 N ATOM 0 H LYS A 89 13.086 15.649 -3.963 1.00 63.05 H new ATOM 0 HA LYS A 89 13.169 17.182 -6.398 1.00 73.14 H new ATOM 0 HB2 LYS A 89 11.872 15.393 -7.295 1.00 34.15 H new ATOM 0 HB3 LYS A 89 13.026 14.656 -6.200 1.00 34.15 H new ATOM 0 HG2 LYS A 89 11.152 14.745 -4.424 1.00 13.31 H new ATOM 0 HG3 LYS A 89 10.065 15.114 -5.748 1.00 13.31 H new ATOM 0 HD2 LYS A 89 10.402 13.019 -6.788 1.00 4.42 H new ATOM 0 HD3 LYS A 89 11.917 12.735 -5.954 1.00 4.42 H new ATOM 0 HE2 LYS A 89 10.627 12.580 -3.783 1.00 42.23 H new ATOM 0 HE3 LYS A 89 9.141 12.716 -4.703 1.00 42.23 H new ATOM 0 HZ1 LYS A 89 9.681 10.414 -4.248 1.00 51.15 H new ATOM 0 HZ2 LYS A 89 9.741 10.704 -5.920 1.00 51.15 H new ATOM 0 HZ3 LYS A 89 11.181 10.571 -5.030 1.00 51.15 H new ATOM 1294 N ASP A 90 10.779 17.650 -4.295 1.00 71.23 N ATOM 1295 CA ASP A 90 9.581 18.430 -4.006 1.00 61.30 C ATOM 1296 C ASP A 90 9.903 19.920 -3.953 1.00 34.02 C ATOM 1297 O ASP A 90 9.039 20.762 -4.205 1.00 22.34 O ATOM 1298 CB ASP A 90 8.962 17.981 -2.681 1.00 42.12 C ATOM 1299 CG ASP A 90 7.792 18.850 -2.265 1.00 52.33 C ATOM 1300 OD1 ASP A 90 7.036 19.294 -3.155 1.00 42.33 O ATOM 1301 OD2 ASP A 90 7.631 19.086 -1.050 1.00 32.13 O ATOM 0 H ASP A 90 11.214 17.226 -3.476 1.00 71.23 H new ATOM 0 HA ASP A 90 8.864 18.260 -4.809 1.00 61.30 H new ATOM 0 HB2 ASP A 90 8.629 16.947 -2.771 1.00 42.12 H new ATOM 0 HB3 ASP A 90 9.723 18.004 -1.901 1.00 42.12 H new ATOM 1306 N LEU A 91 11.149 20.240 -3.623 1.00 30.55 N ATOM 1307 CA LEU A 91 11.585 21.629 -3.535 1.00 30.11 C ATOM 1308 C LEU A 91 12.018 22.151 -4.901 1.00 73.02 C ATOM 1309 O LEU A 91 11.953 23.352 -5.167 1.00 32.33 O ATOM 1310 CB LEU A 91 12.737 21.760 -2.538 1.00 4.54 C ATOM 1311 CG LEU A 91 12.416 21.393 -1.089 1.00 22.34 C ATOM 1312 CD1 LEU A 91 13.682 21.391 -0.245 1.00 71.54 C ATOM 1313 CD2 LEU A 91 11.389 22.354 -0.509 1.00 50.44 C ATOM 0 H LEU A 91 11.876 19.556 -3.412 1.00 30.55 H new ATOM 0 HA LEU A 91 10.743 22.227 -3.188 1.00 30.11 H new ATOM 0 HB2 LEU A 91 13.559 21.129 -2.878 1.00 4.54 H new ATOM 0 HB3 LEU A 91 13.095 22.789 -2.560 1.00 4.54 H new ATOM 0 HG LEU A 91 11.993 20.389 -1.075 1.00 22.34 H new ATOM 0 HD11 LEU A 91 13.433 21.128 0.783 1.00 71.54 H new ATOM 0 HD12 LEU A 91 14.386 20.662 -0.646 1.00 71.54 H new ATOM 0 HD13 LEU A 91 14.135 22.382 -0.266 1.00 71.54 H new ATOM 0 HD21 LEU A 91 11.173 22.077 0.523 1.00 50.44 H new ATOM 0 HD22 LEU A 91 11.784 23.369 -0.537 1.00 50.44 H new ATOM 0 HD23 LEU A 91 10.472 22.305 -1.097 1.00 50.44 H new ATOM 1325 N ILE A 92 12.457 21.241 -5.764 1.00 50.44 N ATOM 1326 CA ILE A 92 12.897 21.610 -7.104 1.00 52.12 C ATOM 1327 C ILE A 92 11.723 21.647 -8.077 1.00 44.04 C ATOM 1328 O ILE A 92 11.727 22.414 -9.039 1.00 53.15 O ATOM 1329 CB ILE A 92 13.960 20.632 -7.637 1.00 23.42 C ATOM 1330 CG1 ILE A 92 14.608 21.189 -8.906 1.00 52.30 C ATOM 1331 CG2 ILE A 92 13.339 19.270 -7.907 1.00 73.43 C ATOM 1332 CD1 ILE A 92 16.119 21.216 -8.852 1.00 22.23 C ATOM 0 H ILE A 92 12.517 20.244 -5.559 1.00 50.44 H new ATOM 0 HA ILE A 92 13.336 22.605 -7.029 1.00 52.12 H new ATOM 0 HB ILE A 92 14.734 20.513 -6.879 1.00 23.42 H new ATOM 0 HG12 ILE A 92 14.294 20.587 -9.759 1.00 52.30 H new ATOM 0 HG13 ILE A 92 14.241 22.201 -9.078 1.00 52.30 H new ATOM 0 HG21 ILE A 92 14.103 18.590 -8.283 1.00 73.43 H new ATOM 0 HG22 ILE A 92 12.921 18.871 -6.983 1.00 73.43 H new ATOM 0 HG23 ILE A 92 12.547 19.372 -8.649 1.00 73.43 H new ATOM 0 HD11 ILE A 92 16.509 21.623 -9.785 1.00 22.23 H new ATOM 0 HD12 ILE A 92 16.442 21.842 -8.020 1.00 22.23 H new ATOM 0 HD13 ILE A 92 16.496 20.203 -8.712 1.00 22.23 H new ATOM 1344 N GLU A 93 10.720 20.814 -7.818 1.00 64.24 N ATOM 1345 CA GLU A 93 9.539 20.753 -8.672 1.00 25.54 C ATOM 1346 C GLU A 93 8.664 21.988 -8.479 1.00 65.22 C ATOM 1347 O GLU A 93 7.712 22.209 -9.226 1.00 52.11 O ATOM 1348 CB GLU A 93 8.730 19.489 -8.371 1.00 5.14 C ATOM 1349 CG GLU A 93 7.982 19.546 -7.049 1.00 65.33 C ATOM 1350 CD GLU A 93 6.588 20.123 -7.193 1.00 34.22 C ATOM 1351 OE1 GLU A 93 5.961 19.902 -8.250 1.00 51.24 O ATOM 1352 OE2 GLU A 93 6.123 20.795 -6.249 1.00 32.24 O ATOM 0 H GLU A 93 10.701 20.173 -7.025 1.00 64.24 H new ATOM 0 HA GLU A 93 9.873 20.724 -9.709 1.00 25.54 H new ATOM 0 HB2 GLU A 93 8.015 19.325 -9.177 1.00 5.14 H new ATOM 0 HB3 GLU A 93 9.402 18.631 -8.362 1.00 5.14 H new ATOM 0 HG2 GLU A 93 7.914 18.542 -6.630 1.00 65.33 H new ATOM 0 HG3 GLU A 93 8.550 20.149 -6.340 1.00 65.33 H new ATOM 1359 N ALA A 94 8.995 22.789 -7.472 1.00 23.24 N ATOM 1360 CA ALA A 94 8.242 24.002 -7.181 1.00 55.11 C ATOM 1361 C ALA A 94 8.592 25.115 -8.163 1.00 63.32 C ATOM 1362 O ALA A 94 7.708 25.732 -8.758 1.00 22.21 O ATOM 1363 CB ALA A 94 8.501 24.455 -5.752 1.00 44.51 C ATOM 0 H ALA A 94 9.780 22.619 -6.844 1.00 23.24 H new ATOM 0 HA ALA A 94 7.181 23.776 -7.292 1.00 55.11 H new ATOM 0 HB1 ALA A 94 7.932 25.362 -5.549 1.00 44.51 H new ATOM 0 HB2 ALA A 94 8.193 23.671 -5.060 1.00 44.51 H new ATOM 0 HB3 ALA A 94 9.564 24.657 -5.621 1.00 44.51 H new ATOM 1369 N ILE A 95 9.887 25.366 -8.328 1.00 13.04 N ATOM 1370 CA ILE A 95 10.353 26.404 -9.238 1.00 41.30 C ATOM 1371 C ILE A 95 10.217 25.963 -10.691 1.00 55.13 C ATOM 1372 O ILE A 95 10.149 26.792 -11.599 1.00 10.43 O ATOM 1373 CB ILE A 95 11.822 26.777 -8.962 1.00 71.42 C ATOM 1374 CG1 ILE A 95 12.724 25.555 -9.149 1.00 1.02 C ATOM 1375 CG2 ILE A 95 11.970 27.342 -7.558 1.00 22.14 C ATOM 1376 CD1 ILE A 95 13.249 25.401 -10.559 1.00 50.21 C ATOM 0 H ILE A 95 10.631 24.865 -7.843 1.00 13.04 H new ATOM 0 HA ILE A 95 9.726 27.279 -9.066 1.00 41.30 H new ATOM 0 HB ILE A 95 12.128 27.543 -9.674 1.00 71.42 H new ATOM 0 HG12 ILE A 95 13.567 25.628 -8.462 1.00 1.02 H new ATOM 0 HG13 ILE A 95 12.168 24.658 -8.877 1.00 1.02 H new ATOM 0 HG21 ILE A 95 13.013 27.601 -7.378 1.00 22.14 H new ATOM 0 HG22 ILE A 95 11.352 28.235 -7.458 1.00 22.14 H new ATOM 0 HG23 ILE A 95 11.650 26.596 -6.830 1.00 22.14 H new ATOM 0 HD11 ILE A 95 13.880 24.514 -10.617 1.00 50.21 H new ATOM 0 HD12 ILE A 95 12.412 25.296 -11.249 1.00 50.21 H new ATOM 0 HD13 ILE A 95 13.833 26.281 -10.828 1.00 50.21 H new ATOM 1388 N ARG A 96 10.175 24.652 -10.904 1.00 73.04 N ATOM 1389 CA ARG A 96 10.045 24.100 -12.248 1.00 2.04 C ATOM 1390 C ARG A 96 8.688 24.450 -12.851 1.00 31.24 C ATOM 1391 O ARG A 96 8.566 24.640 -14.061 1.00 13.43 O ATOM 1392 CB ARG A 96 10.226 22.581 -12.218 1.00 13.25 C ATOM 1393 CG ARG A 96 11.662 22.134 -12.434 1.00 42.24 C ATOM 1394 CD ARG A 96 12.113 22.384 -13.865 1.00 5.31 C ATOM 1395 NE ARG A 96 11.808 21.256 -14.740 1.00 61.13 N ATOM 1396 CZ ARG A 96 12.093 21.234 -16.037 1.00 65.05 C ATOM 1397 NH1 ARG A 96 12.688 22.273 -16.606 1.00 43.35 N ATOM 1398 NH2 ARG A 96 11.784 20.170 -16.768 1.00 43.41 N ATOM 0 H ARG A 96 10.229 23.952 -10.164 1.00 73.04 H new ATOM 0 HA ARG A 96 10.824 24.540 -12.871 1.00 2.04 H new ATOM 0 HB2 ARG A 96 9.877 22.201 -11.258 1.00 13.25 H new ATOM 0 HB3 ARG A 96 9.596 22.133 -12.986 1.00 13.25 H new ATOM 0 HG2 ARG A 96 12.318 22.667 -11.746 1.00 42.24 H new ATOM 0 HG3 ARG A 96 11.753 21.073 -12.203 1.00 42.24 H new ATOM 0 HD2 ARG A 96 11.626 23.281 -14.247 1.00 5.31 H new ATOM 0 HD3 ARG A 96 13.186 22.574 -13.879 1.00 5.31 H new ATOM 0 HE ARG A 96 11.351 20.440 -14.333 1.00 61.13 H new ATOM 0 HH11 ARG A 96 12.928 23.092 -16.047 1.00 43.35 H new ATOM 0 HH12 ARG A 96 12.906 22.253 -17.602 1.00 43.35 H new ATOM 0 HH21 ARG A 96 11.327 19.368 -16.334 1.00 43.41 H new ATOM 0 HH22 ARG A 96 12.003 20.154 -17.764 1.00 43.41 H new ATOM 1412 N ARG A 97 7.671 24.532 -11.999 1.00 21.23 N ATOM 1413 CA ARG A 97 6.323 24.857 -12.448 1.00 34.44 C ATOM 1414 C ARG A 97 6.068 26.359 -12.361 1.00 71.42 C ATOM 1415 O ARG A 97 5.383 26.932 -13.208 1.00 31.32 O ATOM 1416 CB ARG A 97 5.288 24.104 -11.609 1.00 51.00 C ATOM 1417 CG ARG A 97 5.073 22.667 -12.054 1.00 34.44 C ATOM 1418 CD ARG A 97 4.493 21.818 -10.933 1.00 31.30 C ATOM 1419 NE ARG A 97 3.895 20.583 -11.435 1.00 12.44 N ATOM 1420 CZ ARG A 97 3.294 19.689 -10.658 1.00 12.35 C ATOM 1421 NH1 ARG A 97 3.211 19.892 -9.350 1.00 21.42 N ATOM 1422 NH2 ARG A 97 2.773 18.590 -11.188 1.00 45.25 N ATOM 0 H ARG A 97 7.755 24.378 -10.994 1.00 21.23 H new ATOM 0 HA ARG A 97 6.230 24.550 -13.490 1.00 34.44 H new ATOM 0 HB2 ARG A 97 5.605 24.109 -10.566 1.00 51.00 H new ATOM 0 HB3 ARG A 97 4.338 24.636 -11.656 1.00 51.00 H new ATOM 0 HG2 ARG A 97 4.401 22.647 -12.912 1.00 34.44 H new ATOM 0 HG3 ARG A 97 6.021 22.241 -12.382 1.00 34.44 H new ATOM 0 HD2 ARG A 97 5.279 21.576 -10.218 1.00 31.30 H new ATOM 0 HD3 ARG A 97 3.739 22.393 -10.395 1.00 31.30 H new ATOM 0 HE ARG A 97 3.942 20.397 -12.437 1.00 12.44 H new ATOM 0 HH11 ARG A 97 3.609 20.736 -8.939 1.00 21.42 H new ATOM 0 HH12 ARG A 97 2.749 19.204 -8.755 1.00 21.42 H new ATOM 0 HH21 ARG A 97 2.834 18.431 -12.194 1.00 45.25 H new ATOM 0 HH22 ARG A 97 2.312 17.904 -10.590 1.00 45.25 H new ATOM 1436 N ALA A 98 6.624 26.990 -11.332 1.00 32.40 N ATOM 1437 CA ALA A 98 6.458 28.424 -11.136 1.00 2.42 C ATOM 1438 C ALA A 98 7.084 29.211 -12.282 1.00 42.13 C ATOM 1439 O ALA A 98 6.491 30.161 -12.793 1.00 12.24 O ATOM 1440 CB ALA A 98 7.067 28.849 -9.808 1.00 12.15 C ATOM 0 H ALA A 98 7.193 26.530 -10.621 1.00 32.40 H new ATOM 0 HA ALA A 98 5.390 28.642 -11.121 1.00 2.42 H new ATOM 0 HB1 ALA A 98 6.936 29.923 -9.675 1.00 12.15 H new ATOM 0 HB2 ALA A 98 6.572 28.319 -8.994 1.00 12.15 H new ATOM 0 HB3 ALA A 98 8.130 28.610 -9.802 1.00 12.15 H new ATOM 1446 N SER A 99 8.287 28.810 -12.682 1.00 74.22 N ATOM 1447 CA SER A 99 8.995 29.481 -13.766 1.00 22.42 C ATOM 1448 C SER A 99 8.342 29.178 -15.111 1.00 64.31 C ATOM 1449 O SER A 99 8.625 29.835 -16.112 1.00 71.52 O ATOM 1450 CB SER A 99 10.462 29.048 -13.789 1.00 64.42 C ATOM 1451 OG SER A 99 11.231 29.800 -12.867 1.00 11.24 O ATOM 0 H SER A 99 8.791 28.024 -12.272 1.00 74.22 H new ATOM 0 HA SER A 99 8.943 30.556 -13.591 1.00 22.42 H new ATOM 0 HB2 SER A 99 10.535 27.987 -13.548 1.00 64.42 H new ATOM 0 HB3 SER A 99 10.866 29.175 -14.793 1.00 64.42 H new ATOM 0 HG SER A 99 12.038 29.298 -12.628 1.00 11.24 H new ATOM 1457 N ASN A 100 7.467 28.177 -15.125 1.00 43.52 N ATOM 1458 CA ASN A 100 6.774 27.786 -16.347 1.00 33.10 C ATOM 1459 C ASN A 100 5.888 28.919 -16.857 1.00 22.22 C ATOM 1460 O ASN A 100 5.635 29.031 -18.055 1.00 54.33 O ATOM 1461 CB ASN A 100 5.928 26.535 -16.100 1.00 25.33 C ATOM 1462 CG ASN A 100 5.629 25.777 -17.379 1.00 24.02 C ATOM 1463 OD1 ASN A 100 4.495 25.768 -17.857 1.00 42.24 O ATOM 1464 ND2 ASN A 100 6.649 25.136 -17.939 1.00 33.24 N ATOM 0 H ASN A 100 7.222 27.623 -14.305 1.00 43.52 H new ATOM 0 HA ASN A 100 7.525 27.566 -17.106 1.00 33.10 H new ATOM 0 HB2 ASN A 100 6.451 25.878 -15.405 1.00 25.33 H new ATOM 0 HB3 ASN A 100 4.991 26.822 -15.623 1.00 25.33 H new ATOM 0 HD21 ASN A 100 6.509 24.609 -18.801 1.00 33.24 H new ATOM 0 HD22 ASN A 100 7.572 25.171 -17.507 1.00 33.24 H new