USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 302 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.067 X(o=-0.067,f=-0.24) USER MOD Single : A 27 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0078) USER MOD Single : A 28 THR OG1 : rot 170:sc= 0.299 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -177:sc= -1.81 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 159:sc= 0.0219 USER MOD ----------------------------------------------------------------- ATOM 247 N GLU A 16 -8.979 19.732 -16.621 1.00 35.03 N ATOM 248 CA GLU A 16 -8.603 20.964 -17.305 1.00 34.25 C ATOM 249 C GLU A 16 -9.048 22.186 -16.507 1.00 11.41 C ATOM 250 O GLU A 16 -8.221 22.952 -16.012 1.00 41.20 O ATOM 251 CB GLU A 16 -9.218 21.004 -18.705 1.00 70.22 C ATOM 252 CG GLU A 16 -8.202 20.828 -19.821 1.00 62.10 C ATOM 253 CD GLU A 16 -7.817 22.142 -20.472 1.00 51.13 C ATOM 254 OE1 GLU A 16 -7.540 23.111 -19.735 1.00 45.24 O ATOM 255 OE2 GLU A 16 -7.793 22.201 -21.720 1.00 34.24 O ATOM 0 HA GLU A 16 -7.517 20.984 -17.393 1.00 34.25 H new ATOM 0 HB2 GLU A 16 -9.972 20.220 -18.784 1.00 70.22 H new ATOM 0 HB3 GLU A 16 -9.732 21.956 -18.840 1.00 70.22 H new ATOM 0 HG2 GLU A 16 -7.308 20.349 -19.421 1.00 62.10 H new ATOM 0 HG3 GLU A 16 -8.611 20.158 -20.577 1.00 62.10 H new ATOM 262 N ARG A 17 -10.360 22.362 -16.387 1.00 41.43 N ATOM 263 CA ARG A 17 -10.915 23.492 -15.652 1.00 13.20 C ATOM 264 C ARG A 17 -12.432 23.371 -15.533 1.00 43.14 C ATOM 265 O ARG A 17 -13.052 22.545 -16.203 1.00 54.12 O ATOM 266 CB ARG A 17 -10.550 24.807 -16.343 1.00 54.14 C ATOM 267 CG ARG A 17 -11.609 25.297 -17.318 1.00 63.44 C ATOM 268 CD ARG A 17 -11.818 24.309 -18.456 1.00 2.12 C ATOM 269 NE ARG A 17 -10.772 24.414 -19.470 1.00 74.53 N ATOM 270 CZ ARG A 17 -10.773 25.327 -20.435 1.00 20.12 C ATOM 271 NH1 ARG A 17 -11.758 26.210 -20.515 1.00 52.50 N ATOM 272 NH2 ARG A 17 -9.786 25.358 -21.321 1.00 51.13 N ATOM 0 H ARG A 17 -11.058 21.737 -16.789 1.00 41.43 H new ATOM 0 HA ARG A 17 -10.487 23.486 -14.649 1.00 13.20 H new ATOM 0 HB2 ARG A 17 -10.384 25.572 -15.585 1.00 54.14 H new ATOM 0 HB3 ARG A 17 -9.608 24.678 -16.877 1.00 54.14 H new ATOM 0 HG2 ARG A 17 -12.550 25.449 -16.789 1.00 63.44 H new ATOM 0 HG3 ARG A 17 -11.312 26.264 -17.724 1.00 63.44 H new ATOM 0 HD2 ARG A 17 -11.836 23.295 -18.057 1.00 2.12 H new ATOM 0 HD3 ARG A 17 -12.789 24.487 -18.917 1.00 2.12 H new ATOM 0 HE ARG A 17 -9.998 23.750 -19.435 1.00 74.53 H new ATOM 0 HH11 ARG A 17 -12.518 26.190 -19.835 1.00 52.50 H new ATOM 0 HH12 ARG A 17 -11.756 26.910 -21.257 1.00 52.50 H new ATOM 0 HH21 ARG A 17 -9.026 24.681 -21.262 1.00 51.13 H new ATOM 0 HH22 ARG A 17 -9.787 26.059 -22.062 1.00 51.13 H new ATOM 286 N ILE A 18 -13.021 24.199 -14.677 1.00 61.03 N ATOM 287 CA ILE A 18 -14.464 24.185 -14.472 1.00 21.32 C ATOM 288 C ILE A 18 -15.197 24.751 -15.683 1.00 73.30 C ATOM 289 O ILE A 18 -15.092 25.939 -15.987 1.00 0.13 O ATOM 290 CB ILE A 18 -14.863 24.991 -13.222 1.00 25.15 C ATOM 291 CG1 ILE A 18 -14.076 24.505 -12.002 1.00 61.04 C ATOM 292 CG2 ILE A 18 -16.359 24.877 -12.973 1.00 11.02 C ATOM 293 CD1 ILE A 18 -14.654 23.260 -11.367 1.00 71.23 C ATOM 0 H ILE A 18 -12.521 24.888 -14.114 1.00 61.03 H new ATOM 0 HA ILE A 18 -14.752 23.143 -14.330 1.00 21.32 H new ATOM 0 HB ILE A 18 -14.622 26.040 -13.393 1.00 25.15 H new ATOM 0 HG12 ILE A 18 -13.046 24.307 -12.299 1.00 61.04 H new ATOM 0 HG13 ILE A 18 -14.045 25.302 -11.259 1.00 61.04 H new ATOM 0 HG21 ILE A 18 -16.625 25.452 -12.086 1.00 11.02 H new ATOM 0 HG22 ILE A 18 -16.902 25.266 -13.834 1.00 11.02 H new ATOM 0 HG23 ILE A 18 -16.624 23.831 -12.820 1.00 11.02 H new ATOM 0 HD11 ILE A 18 -14.046 22.973 -10.509 1.00 71.23 H new ATOM 0 HD12 ILE A 18 -15.674 23.459 -11.038 1.00 71.23 H new ATOM 0 HD13 ILE A 18 -14.659 22.449 -12.095 1.00 71.23 H new ATOM 305 N VAL A 19 -15.943 23.892 -16.371 1.00 64.24 N ATOM 306 CA VAL A 19 -16.697 24.306 -17.548 1.00 42.23 C ATOM 307 C VAL A 19 -17.706 25.394 -17.199 1.00 74.22 C ATOM 308 O VAL A 19 -17.697 26.476 -17.787 1.00 70.50 O ATOM 309 CB VAL A 19 -17.440 23.117 -18.186 1.00 44.33 C ATOM 310 CG1 VAL A 19 -18.009 23.508 -19.542 1.00 0.25 C ATOM 311 CG2 VAL A 19 -16.513 21.917 -18.314 1.00 52.41 C ATOM 0 H VAL A 19 -16.041 22.905 -16.133 1.00 64.24 H new ATOM 0 HA VAL A 19 -15.975 24.700 -18.264 1.00 42.23 H new ATOM 0 HB VAL A 19 -18.270 22.839 -17.537 1.00 44.33 H new ATOM 0 HG11 VAL A 19 -18.530 22.655 -19.977 1.00 0.25 H new ATOM 0 HG12 VAL A 19 -18.707 24.336 -19.419 1.00 0.25 H new ATOM 0 HG13 VAL A 19 -17.198 23.813 -20.203 1.00 0.25 H new ATOM 0 HG21 VAL A 19 -17.054 21.086 -18.767 1.00 52.41 H new ATOM 0 HG22 VAL A 19 -15.661 22.180 -18.941 1.00 52.41 H new ATOM 0 HG23 VAL A 19 -16.159 21.624 -17.326 1.00 52.41 H new ATOM 321 N ARG A 20 -18.576 25.100 -16.238 1.00 71.33 N ATOM 322 CA ARG A 20 -19.593 26.053 -15.811 1.00 34.52 C ATOM 323 C ARG A 20 -20.138 25.685 -14.434 1.00 31.14 C ATOM 324 O ARG A 20 -19.613 24.796 -13.763 1.00 71.42 O ATOM 325 CB ARG A 20 -20.736 26.101 -16.827 1.00 12.13 C ATOM 326 CG ARG A 20 -21.457 24.774 -16.997 1.00 24.31 C ATOM 327 CD ARG A 20 -21.031 24.069 -18.276 1.00 15.13 C ATOM 328 NE ARG A 20 -22.087 24.083 -19.285 1.00 43.22 N ATOM 329 CZ ARG A 20 -22.211 23.159 -20.231 1.00 52.12 C ATOM 330 NH1 ARG A 20 -21.351 22.152 -20.296 1.00 40.34 N ATOM 331 NH2 ARG A 20 -23.198 23.241 -21.114 1.00 72.43 N ATOM 0 H ARG A 20 -18.597 24.210 -15.741 1.00 71.33 H new ATOM 0 HA ARG A 20 -19.130 27.038 -15.749 1.00 34.52 H new ATOM 0 HB2 ARG A 20 -21.456 26.858 -16.516 1.00 12.13 H new ATOM 0 HB3 ARG A 20 -20.340 26.416 -17.792 1.00 12.13 H new ATOM 0 HG2 ARG A 20 -21.249 24.133 -16.140 1.00 24.31 H new ATOM 0 HG3 ARG A 20 -22.534 24.943 -17.015 1.00 24.31 H new ATOM 0 HD2 ARG A 20 -20.140 24.552 -18.677 1.00 15.13 H new ATOM 0 HD3 ARG A 20 -20.760 23.038 -18.049 1.00 15.13 H new ATOM 0 HE ARG A 20 -22.766 24.844 -19.262 1.00 43.22 H new ATOM 0 HH11 ARG A 20 -20.592 22.085 -19.618 1.00 40.34 H new ATOM 0 HH12 ARG A 20 -21.449 21.444 -21.024 1.00 40.34 H new ATOM 0 HH21 ARG A 20 -23.862 24.014 -21.066 1.00 72.43 H new ATOM 0 HH22 ARG A 20 -23.293 22.531 -21.840 1.00 72.43 H new ATOM 345 N LYS A 21 -21.194 26.375 -14.017 1.00 51.52 N ATOM 346 CA LYS A 21 -21.812 26.122 -12.721 1.00 4.52 C ATOM 347 C LYS A 21 -23.276 26.549 -12.723 1.00 50.11 C ATOM 348 O LYS A 21 -23.687 27.392 -13.521 1.00 3.32 O ATOM 349 CB LYS A 21 -21.054 26.866 -11.618 1.00 54.33 C ATOM 350 CG LYS A 21 -21.254 28.372 -11.652 1.00 70.45 C ATOM 351 CD LYS A 21 -20.829 29.020 -10.346 1.00 15.33 C ATOM 352 CE LYS A 21 -21.806 30.105 -9.919 1.00 13.13 C ATOM 353 NZ LYS A 21 -21.164 31.110 -9.027 1.00 51.21 N ATOM 0 H LYS A 21 -21.640 27.115 -14.559 1.00 51.52 H new ATOM 0 HA LYS A 21 -21.765 25.050 -12.527 1.00 4.52 H new ATOM 0 HB2 LYS A 21 -21.376 26.487 -10.648 1.00 54.33 H new ATOM 0 HB3 LYS A 21 -19.990 26.647 -11.709 1.00 54.33 H new ATOM 0 HG2 LYS A 21 -20.679 28.798 -12.474 1.00 70.45 H new ATOM 0 HG3 LYS A 21 -22.303 28.596 -11.846 1.00 70.45 H new ATOM 0 HD2 LYS A 21 -20.763 28.261 -9.566 1.00 15.33 H new ATOM 0 HD3 LYS A 21 -19.833 29.449 -10.458 1.00 15.33 H new ATOM 0 HE2 LYS A 21 -22.203 30.605 -10.803 1.00 13.13 H new ATOM 0 HE3 LYS A 21 -22.652 29.650 -9.404 1.00 13.13 H new ATOM 0 HZ1 LYS A 21 -21.863 31.832 -8.758 1.00 51.21 H new ATOM 0 HZ2 LYS A 21 -20.808 30.638 -8.172 1.00 51.21 H new ATOM 0 HZ3 LYS A 21 -20.373 31.563 -9.527 1.00 51.21 H new ATOM 367 N LYS A 22 -24.060 25.963 -11.825 1.00 22.33 N ATOM 368 CA LYS A 22 -25.478 26.284 -11.720 1.00 74.55 C ATOM 369 C LYS A 22 -26.095 25.631 -10.487 1.00 63.34 C ATOM 370 O LYS A 22 -25.720 24.521 -10.109 1.00 22.43 O ATOM 371 CB LYS A 22 -26.220 25.824 -12.978 1.00 42.51 C ATOM 372 CG LYS A 22 -26.427 24.321 -13.047 1.00 53.43 C ATOM 373 CD LYS A 22 -27.884 23.949 -12.826 1.00 24.23 C ATOM 374 CE LYS A 22 -28.548 23.505 -14.120 1.00 35.24 C ATOM 375 NZ LYS A 22 -30.024 23.704 -14.082 1.00 43.41 N ATOM 0 H LYS A 22 -23.737 25.262 -11.158 1.00 22.33 H new ATOM 0 HA LYS A 22 -25.574 27.365 -11.623 1.00 74.55 H new ATOM 0 HB2 LYS A 22 -27.191 26.318 -13.018 1.00 42.51 H new ATOM 0 HB3 LYS A 22 -25.662 26.146 -13.857 1.00 42.51 H new ATOM 0 HG2 LYS A 22 -26.099 23.952 -14.019 1.00 53.43 H new ATOM 0 HG3 LYS A 22 -25.807 23.832 -12.295 1.00 53.43 H new ATOM 0 HD2 LYS A 22 -27.948 23.148 -12.089 1.00 24.23 H new ATOM 0 HD3 LYS A 22 -28.421 24.804 -12.415 1.00 24.23 H new ATOM 0 HE2 LYS A 22 -28.127 24.065 -14.955 1.00 35.24 H new ATOM 0 HE3 LYS A 22 -28.328 22.453 -14.299 1.00 35.24 H new ATOM 0 HZ1 LYS A 22 -30.440 23.390 -14.982 1.00 43.41 H new ATOM 0 HZ2 LYS A 22 -30.429 23.150 -13.301 1.00 43.41 H new ATOM 0 HZ3 LYS A 22 -30.235 24.712 -13.937 1.00 43.41 H new ATOM 389 N ILE A 23 -27.042 26.326 -9.867 1.00 20.43 N ATOM 390 CA ILE A 23 -27.711 25.811 -8.678 1.00 54.44 C ATOM 391 C ILE A 23 -29.162 25.449 -8.978 1.00 11.51 C ATOM 392 O ILE A 23 -29.796 26.048 -9.847 1.00 61.13 O ATOM 393 CB ILE A 23 -27.676 26.833 -7.526 1.00 73.22 C ATOM 394 CG1 ILE A 23 -28.797 27.861 -7.693 1.00 31.13 C ATOM 395 CG2 ILE A 23 -26.321 27.522 -7.471 1.00 13.51 C ATOM 396 CD1 ILE A 23 -30.058 27.508 -6.935 1.00 51.22 C ATOM 0 H ILE A 23 -27.363 27.246 -10.167 1.00 20.43 H new ATOM 0 HA ILE A 23 -27.171 24.915 -8.374 1.00 54.44 H new ATOM 0 HB ILE A 23 -27.831 26.304 -6.585 1.00 73.22 H new ATOM 0 HG12 ILE A 23 -28.440 28.834 -7.355 1.00 31.13 H new ATOM 0 HG13 ILE A 23 -29.035 27.959 -8.752 1.00 31.13 H new ATOM 0 HG21 ILE A 23 -26.312 28.241 -6.652 1.00 13.51 H new ATOM 0 HG22 ILE A 23 -25.541 26.778 -7.310 1.00 13.51 H new ATOM 0 HG23 ILE A 23 -26.138 28.041 -8.412 1.00 13.51 H new ATOM 0 HD11 ILE A 23 -30.809 28.280 -7.099 1.00 51.22 H new ATOM 0 HD12 ILE A 23 -30.439 26.550 -7.289 1.00 51.22 H new ATOM 0 HD13 ILE A 23 -29.835 27.439 -5.870 1.00 51.22 H new ATOM 408 N VAL A 24 -29.683 24.467 -8.251 1.00 34.45 N ATOM 409 CA VAL A 24 -31.061 24.026 -8.436 1.00 1.23 C ATOM 410 C VAL A 24 -31.751 23.801 -7.095 1.00 40.21 C ATOM 411 O VAL A 24 -31.281 23.021 -6.266 1.00 11.53 O ATOM 412 CB VAL A 24 -31.129 22.727 -9.260 1.00 23.20 C ATOM 413 CG1 VAL A 24 -32.331 22.747 -10.191 1.00 73.01 C ATOM 414 CG2 VAL A 24 -29.841 22.526 -10.044 1.00 24.33 C ATOM 0 H VAL A 24 -29.172 23.961 -7.528 1.00 34.45 H new ATOM 0 HA VAL A 24 -31.577 24.819 -8.978 1.00 1.23 H new ATOM 0 HB VAL A 24 -31.245 21.888 -8.574 1.00 23.20 H new ATOM 0 HG11 VAL A 24 -32.362 21.821 -10.765 1.00 73.01 H new ATOM 0 HG12 VAL A 24 -33.245 22.841 -9.604 1.00 73.01 H new ATOM 0 HG13 VAL A 24 -32.249 23.594 -10.873 1.00 73.01 H new ATOM 0 HG21 VAL A 24 -29.906 21.603 -10.621 1.00 24.33 H new ATOM 0 HG22 VAL A 24 -29.692 23.367 -10.721 1.00 24.33 H new ATOM 0 HG23 VAL A 24 -29.000 22.463 -9.353 1.00 24.33 H new ATOM 424 N HIS A 25 -32.870 24.489 -6.889 1.00 5.24 N ATOM 425 CA HIS A 25 -33.626 24.364 -5.648 1.00 32.31 C ATOM 426 C HIS A 25 -32.746 24.673 -4.441 1.00 24.21 C ATOM 427 O HIS A 25 -33.005 24.203 -3.334 1.00 72.10 O ATOM 428 CB HIS A 25 -34.209 22.956 -5.521 1.00 71.15 C ATOM 429 CG HIS A 25 -35.578 22.927 -4.915 1.00 32.22 C ATOM 430 ND1 HIS A 25 -36.611 23.731 -5.348 1.00 42.34 N ATOM 431 CD2 HIS A 25 -36.082 22.183 -3.903 1.00 35.41 C ATOM 432 CE1 HIS A 25 -37.690 23.484 -4.628 1.00 55.34 C ATOM 433 NE2 HIS A 25 -37.397 22.548 -3.744 1.00 63.04 N ATOM 0 H HIS A 25 -33.273 25.138 -7.565 1.00 5.24 H new ATOM 0 HA HIS A 25 -34.442 25.087 -5.675 1.00 32.31 H new ATOM 0 HB2 HIS A 25 -34.248 22.497 -6.509 1.00 71.15 H new ATOM 0 HB3 HIS A 25 -33.539 22.348 -4.914 1.00 71.15 H new ATOM 0 HD2 HIS A 25 -35.549 21.440 -3.327 1.00 35.41 H new ATOM 0 HE1 HIS A 25 -38.650 23.966 -4.743 1.00 55.34 H new ATOM 0 HE2 HIS A 25 -38.042 22.159 -3.056 1.00 63.04 H new ATOM 441 N GLY A 26 -31.702 25.466 -4.663 1.00 40.22 N ATOM 442 CA GLY A 26 -30.799 25.823 -3.585 1.00 3.40 C ATOM 443 C GLY A 26 -29.596 24.904 -3.508 1.00 43.51 C ATOM 444 O GLY A 26 -28.822 24.962 -2.553 1.00 54.10 O ATOM 0 H GLY A 26 -31.466 25.867 -5.570 1.00 40.22 H new ATOM 0 HA2 GLY A 26 -30.460 26.849 -3.724 1.00 3.40 H new ATOM 0 HA3 GLY A 26 -31.338 25.791 -2.638 1.00 3.40 H new ATOM 448 N ASN A 27 -29.438 24.053 -4.516 1.00 71.23 N ATOM 449 CA ASN A 27 -28.321 23.116 -4.558 1.00 35.44 C ATOM 450 C ASN A 27 -27.330 23.498 -5.653 1.00 13.35 C ATOM 451 O ASN A 27 -27.594 23.306 -6.840 1.00 31.10 O ATOM 452 CB ASN A 27 -28.832 21.692 -4.791 1.00 3.12 C ATOM 453 CG ASN A 27 -29.812 21.247 -3.723 1.00 11.12 C ATOM 454 OD1 ASN A 27 -29.420 20.688 -2.699 1.00 22.42 O ATOM 455 ND2 ASN A 27 -31.095 21.494 -3.958 1.00 14.40 N ATOM 0 H ASN A 27 -30.069 23.993 -5.315 1.00 71.23 H new ATOM 0 HA ASN A 27 -27.807 23.159 -3.598 1.00 35.44 H new ATOM 0 HB2 ASN A 27 -29.313 21.637 -5.767 1.00 3.12 H new ATOM 0 HB3 ASN A 27 -27.986 21.005 -4.813 1.00 3.12 H new ATOM 0 HD21 ASN A 27 -31.801 21.218 -3.276 1.00 14.40 H new ATOM 0 HD22 ASN A 27 -31.375 21.960 -4.821 1.00 14.40 H new ATOM 462 N THR A 28 -26.187 24.041 -5.245 1.00 52.21 N ATOM 463 CA THR A 28 -25.156 24.452 -6.190 1.00 74.42 C ATOM 464 C THR A 28 -24.529 23.244 -6.878 1.00 0.41 C ATOM 465 O THR A 28 -24.352 22.191 -6.265 1.00 54.44 O ATOM 466 CB THR A 28 -24.049 25.265 -5.495 1.00 4.21 C ATOM 467 OG1 THR A 28 -24.613 26.073 -4.456 1.00 41.42 O ATOM 468 CG2 THR A 28 -23.320 26.151 -6.494 1.00 64.11 C ATOM 0 H THR A 28 -25.952 24.206 -4.266 1.00 52.21 H new ATOM 0 HA THR A 28 -25.643 25.080 -6.936 1.00 74.42 H new ATOM 0 HB THR A 28 -23.333 24.566 -5.063 1.00 4.21 H new ATOM 0 HG1 THR A 28 -23.893 26.463 -3.918 1.00 41.42 H new ATOM 0 HG21 THR A 28 -22.542 26.716 -5.980 1.00 64.11 H new ATOM 0 HG22 THR A 28 -22.867 25.531 -7.267 1.00 64.11 H new ATOM 0 HG23 THR A 28 -24.028 26.842 -6.952 1.00 64.11 H new ATOM 476 N SER A 29 -24.193 23.404 -8.154 1.00 53.40 N ATOM 477 CA SER A 29 -23.588 22.326 -8.926 1.00 62.32 C ATOM 478 C SER A 29 -22.514 22.867 -9.866 1.00 35.41 C ATOM 479 O SER A 29 -22.768 23.774 -10.659 1.00 24.12 O ATOM 480 CB SER A 29 -24.657 21.582 -9.729 1.00 11.21 C ATOM 481 OG SER A 29 -25.660 21.055 -8.877 1.00 43.33 O ATOM 0 H SER A 29 -24.330 24.270 -8.675 1.00 53.40 H new ATOM 0 HA SER A 29 -23.120 21.632 -8.228 1.00 62.32 H new ATOM 0 HB2 SER A 29 -25.110 22.259 -10.453 1.00 11.21 H new ATOM 0 HB3 SER A 29 -24.194 20.773 -10.295 1.00 11.21 H new ATOM 0 HG SER A 29 -26.332 20.586 -9.414 1.00 43.33 H new ATOM 487 N TYR A 30 -21.315 22.303 -9.771 1.00 35.11 N ATOM 488 CA TYR A 30 -20.202 22.729 -10.610 1.00 2.00 C ATOM 489 C TYR A 30 -19.957 21.732 -11.738 1.00 71.23 C ATOM 490 O TYR A 30 -19.745 20.543 -11.497 1.00 65.30 O ATOM 491 CB TYR A 30 -18.934 22.886 -9.769 1.00 44.44 C ATOM 492 CG TYR A 30 -18.843 24.215 -9.053 1.00 31.43 C ATOM 493 CD1 TYR A 30 -19.903 24.688 -8.289 1.00 41.45 C ATOM 494 CD2 TYR A 30 -17.697 24.995 -9.138 1.00 42.41 C ATOM 495 CE1 TYR A 30 -19.825 25.902 -7.634 1.00 24.22 C ATOM 496 CE2 TYR A 30 -17.609 26.209 -8.485 1.00 11.45 C ATOM 497 CZ TYR A 30 -18.676 26.658 -7.734 1.00 42.41 C ATOM 498 OH TYR A 30 -18.593 27.867 -7.081 1.00 74.02 O ATOM 0 H TYR A 30 -21.089 21.550 -9.121 1.00 35.11 H new ATOM 0 HA TYR A 30 -20.460 23.692 -11.051 1.00 2.00 H new ATOM 0 HB2 TYR A 30 -18.894 22.083 -9.033 1.00 44.44 H new ATOM 0 HB3 TYR A 30 -18.063 22.770 -10.414 1.00 44.44 H new ATOM 0 HD1 TYR A 30 -20.803 24.097 -8.206 1.00 41.45 H new ATOM 0 HD2 TYR A 30 -16.860 24.646 -9.725 1.00 42.41 H new ATOM 0 HE1 TYR A 30 -20.659 26.257 -7.047 1.00 24.22 H new ATOM 0 HE2 TYR A 30 -16.710 26.803 -8.562 1.00 11.45 H new ATOM 0 HH TYR A 30 -17.718 28.272 -7.253 1.00 74.02 H new ATOM 508 N LEU A 31 -19.988 22.225 -12.971 1.00 71.25 N ATOM 509 CA LEU A 31 -19.769 21.379 -14.139 1.00 70.45 C ATOM 510 C LEU A 31 -18.309 21.425 -14.580 1.00 13.24 C ATOM 511 O LEU A 31 -17.837 22.439 -15.093 1.00 42.50 O ATOM 512 CB LEU A 31 -20.675 21.820 -15.290 1.00 60.44 C ATOM 513 CG LEU A 31 -20.989 20.756 -16.343 1.00 20.21 C ATOM 514 CD1 LEU A 31 -21.202 19.401 -15.686 1.00 23.04 C ATOM 515 CD2 LEU A 31 -22.212 21.154 -17.156 1.00 13.35 C ATOM 0 H LEU A 31 -20.163 23.206 -13.188 1.00 71.25 H new ATOM 0 HA LEU A 31 -20.014 20.353 -13.864 1.00 70.45 H new ATOM 0 HB2 LEU A 31 -21.616 22.175 -14.870 1.00 60.44 H new ATOM 0 HB3 LEU A 31 -20.208 22.669 -15.789 1.00 60.44 H new ATOM 0 HG LEU A 31 -20.137 20.680 -17.019 1.00 20.21 H new ATOM 0 HD11 LEU A 31 -21.424 18.657 -16.451 1.00 23.04 H new ATOM 0 HD12 LEU A 31 -20.299 19.111 -15.149 1.00 23.04 H new ATOM 0 HD13 LEU A 31 -22.036 19.463 -14.987 1.00 23.04 H new ATOM 0 HD21 LEU A 31 -22.420 20.385 -17.900 1.00 13.35 H new ATOM 0 HD22 LEU A 31 -23.071 21.260 -16.493 1.00 13.35 H new ATOM 0 HD23 LEU A 31 -22.022 22.103 -17.658 1.00 13.35 H new ATOM 527 N VAL A 32 -17.600 20.320 -14.377 1.00 62.50 N ATOM 528 CA VAL A 32 -16.195 20.233 -14.756 1.00 24.31 C ATOM 529 C VAL A 32 -15.973 19.143 -15.799 1.00 21.13 C ATOM 530 O VAL A 32 -16.622 18.097 -15.768 1.00 3.01 O ATOM 531 CB VAL A 32 -15.300 19.949 -13.534 1.00 74.44 C ATOM 532 CG1 VAL A 32 -15.434 18.497 -13.101 1.00 32.24 C ATOM 533 CG2 VAL A 32 -13.851 20.289 -13.845 1.00 2.40 C ATOM 0 H VAL A 32 -17.975 19.472 -13.952 1.00 62.50 H new ATOM 0 HA VAL A 32 -15.922 21.199 -15.181 1.00 24.31 H new ATOM 0 HB VAL A 32 -15.629 20.581 -12.709 1.00 74.44 H new ATOM 0 HG11 VAL A 32 -14.795 18.315 -12.237 1.00 32.24 H new ATOM 0 HG12 VAL A 32 -16.471 18.291 -12.836 1.00 32.24 H new ATOM 0 HG13 VAL A 32 -15.132 17.844 -13.920 1.00 32.24 H new ATOM 0 HG21 VAL A 32 -13.233 20.082 -12.971 1.00 2.40 H new ATOM 0 HG22 VAL A 32 -13.507 19.684 -14.684 1.00 2.40 H new ATOM 0 HG23 VAL A 32 -13.772 21.345 -14.103 1.00 2.40 H new ATOM 543 N LYS A 33 -15.051 19.394 -16.722 1.00 52.22 N ATOM 544 CA LYS A 33 -14.741 18.434 -17.775 1.00 42.51 C ATOM 545 C LYS A 33 -13.585 17.529 -17.362 1.00 70.33 C ATOM 546 O LYS A 33 -13.233 17.454 -16.185 1.00 32.30 O ATOM 547 CB LYS A 33 -14.391 19.166 -19.073 1.00 71.32 C ATOM 548 CG LYS A 33 -13.186 20.082 -18.950 1.00 20.15 C ATOM 549 CD LYS A 33 -12.888 20.791 -20.260 1.00 23.11 C ATOM 550 CE LYS A 33 -13.667 22.092 -20.380 1.00 23.14 C ATOM 551 NZ LYS A 33 -13.193 22.919 -21.524 1.00 60.40 N ATOM 0 H LYS A 33 -14.505 20.255 -16.762 1.00 52.22 H new ATOM 0 HA LYS A 33 -15.623 17.815 -17.940 1.00 42.51 H new ATOM 0 HB2 LYS A 33 -14.199 18.431 -19.854 1.00 71.32 H new ATOM 0 HB3 LYS A 33 -15.252 19.753 -19.392 1.00 71.32 H new ATOM 0 HG2 LYS A 33 -13.367 20.820 -18.169 1.00 20.15 H new ATOM 0 HG3 LYS A 33 -12.316 19.501 -18.644 1.00 20.15 H new ATOM 0 HD2 LYS A 33 -11.820 20.998 -20.328 1.00 23.11 H new ATOM 0 HD3 LYS A 33 -13.140 20.137 -21.095 1.00 23.11 H new ATOM 0 HE2 LYS A 33 -14.727 21.870 -20.507 1.00 23.14 H new ATOM 0 HE3 LYS A 33 -13.569 22.661 -19.455 1.00 23.14 H new ATOM 0 HZ1 LYS A 33 -13.749 23.797 -21.572 1.00 60.40 H new ATOM 0 HZ2 LYS A 33 -12.188 23.152 -21.391 1.00 60.40 H new ATOM 0 HZ3 LYS A 33 -13.310 22.386 -22.410 1.00 60.40 H new ATOM 565 N TRP A 34 -12.998 16.845 -18.338 1.00 33.33 N ATOM 566 CA TRP A 34 -11.881 15.945 -18.075 1.00 3.02 C ATOM 567 C TRP A 34 -10.750 16.177 -19.071 1.00 23.52 C ATOM 568 O TRP A 34 -10.670 15.509 -20.102 1.00 75.40 O ATOM 569 CB TRP A 34 -12.345 14.489 -18.141 1.00 1.14 C ATOM 570 CG TRP A 34 -13.774 14.302 -17.730 1.00 10.14 C ATOM 571 CD1 TRP A 34 -14.340 14.669 -16.542 1.00 21.31 C ATOM 572 CD2 TRP A 34 -14.817 13.701 -18.505 1.00 11.33 C ATOM 573 NE1 TRP A 34 -15.672 14.332 -16.532 1.00 20.20 N ATOM 574 CE2 TRP A 34 -15.990 13.738 -17.725 1.00 24.13 C ATOM 575 CE3 TRP A 34 -14.875 13.138 -19.782 1.00 74.12 C ATOM 576 CZ2 TRP A 34 -17.203 13.231 -18.182 1.00 13.43 C ATOM 577 CZ3 TRP A 34 -16.081 12.635 -20.234 1.00 43.41 C ATOM 578 CH2 TRP A 34 -17.231 12.685 -19.436 1.00 55.42 C ATOM 0 H TRP A 34 -13.277 16.897 -19.318 1.00 33.33 H new ATOM 0 HA TRP A 34 -11.507 16.154 -17.073 1.00 3.02 H new ATOM 0 HB2 TRP A 34 -12.216 14.120 -19.158 1.00 1.14 H new ATOM 0 HB3 TRP A 34 -11.707 13.882 -17.498 1.00 1.14 H new ATOM 0 HD1 TRP A 34 -13.817 15.153 -15.730 1.00 21.31 H new ATOM 0 HE1 TRP A 34 -16.319 14.497 -15.761 1.00 20.20 H new ATOM 0 HE3 TRP A 34 -13.994 13.096 -20.405 1.00 74.12 H new ATOM 0 HZ2 TRP A 34 -18.091 13.267 -17.568 1.00 13.43 H new ATOM 0 HZ3 TRP A 34 -16.137 12.196 -21.219 1.00 43.41 H new ATOM 0 HH2 TRP A 34 -18.158 12.285 -19.818 1.00 55.42 H new ATOM 754 N GLU A 45 -20.724 18.213 -10.432 1.00 20.04 N ATOM 755 CA GLU A 45 -20.247 17.957 -9.078 1.00 2.24 C ATOM 756 C GLU A 45 -20.634 19.097 -8.140 1.00 4.30 C ATOM 757 O GLU A 45 -20.285 20.255 -8.374 1.00 54.20 O ATOM 758 CB GLU A 45 -18.728 17.773 -9.075 1.00 22.03 C ATOM 759 CG GLU A 45 -18.277 16.429 -9.622 1.00 4.22 C ATOM 760 CD GLU A 45 -17.498 15.617 -8.605 1.00 72.11 C ATOM 761 OE1 GLU A 45 -17.895 15.613 -7.421 1.00 4.43 O ATOM 762 OE2 GLU A 45 -16.493 14.985 -8.993 1.00 54.51 O ATOM 0 HA GLU A 45 -20.718 17.041 -8.722 1.00 2.24 H new ATOM 0 HB2 GLU A 45 -18.273 18.568 -9.666 1.00 22.03 H new ATOM 0 HB3 GLU A 45 -18.359 17.883 -8.055 1.00 22.03 H new ATOM 0 HG2 GLU A 45 -19.150 15.861 -9.944 1.00 4.22 H new ATOM 0 HG3 GLU A 45 -17.658 16.589 -10.505 1.00 4.22 H new ATOM 769 N THR A 46 -21.357 18.761 -7.077 1.00 14.55 N ATOM 770 CA THR A 46 -21.794 19.755 -6.104 1.00 43.51 C ATOM 771 C THR A 46 -20.667 20.725 -5.766 1.00 12.12 C ATOM 772 O THR A 46 -19.492 20.365 -5.812 1.00 64.22 O ATOM 773 CB THR A 46 -22.291 19.091 -4.806 1.00 51.24 C ATOM 774 OG1 THR A 46 -21.751 17.770 -4.695 1.00 35.45 O ATOM 775 CG2 THR A 46 -23.811 19.028 -4.779 1.00 2.02 C ATOM 0 H THR A 46 -21.653 17.808 -6.867 1.00 14.55 H new ATOM 0 HA THR A 46 -22.618 20.303 -6.561 1.00 43.51 H new ATOM 0 HB THR A 46 -21.953 19.693 -3.962 1.00 51.24 H new ATOM 0 HG1 THR A 46 -22.108 17.337 -3.891 1.00 35.45 H new ATOM 0 HG21 THR A 46 -24.139 18.555 -3.853 1.00 2.02 H new ATOM 0 HG22 THR A 46 -24.218 20.038 -4.835 1.00 2.02 H new ATOM 0 HG23 THR A 46 -24.166 18.446 -5.629 1.00 2.02 H new ATOM 783 N GLU A 47 -21.035 21.956 -5.425 1.00 2.41 N ATOM 784 CA GLU A 47 -20.053 22.978 -5.079 1.00 31.32 C ATOM 785 C GLU A 47 -19.206 22.537 -3.888 1.00 53.13 C ATOM 786 O GLU A 47 -18.086 23.011 -3.700 1.00 41.53 O ATOM 787 CB GLU A 47 -20.752 24.301 -4.760 1.00 1.02 C ATOM 788 CG GLU A 47 -19.874 25.287 -4.008 1.00 21.03 C ATOM 789 CD GLU A 47 -20.566 26.613 -3.760 1.00 40.30 C ATOM 790 OE1 GLU A 47 -21.809 26.622 -3.643 1.00 71.12 O ATOM 791 OE2 GLU A 47 -19.863 27.643 -3.683 1.00 13.01 O ATOM 0 H GLU A 47 -22.005 22.270 -5.381 1.00 2.41 H new ATOM 0 HA GLU A 47 -19.396 23.120 -5.937 1.00 31.32 H new ATOM 0 HB2 GLU A 47 -21.085 24.760 -5.691 1.00 1.02 H new ATOM 0 HB3 GLU A 47 -21.644 24.097 -4.168 1.00 1.02 H new ATOM 0 HG2 GLU A 47 -19.580 24.851 -3.053 1.00 21.03 H new ATOM 0 HG3 GLU A 47 -18.959 25.459 -4.575 1.00 21.03 H new ATOM 798 N ASP A 48 -19.750 21.628 -3.087 1.00 74.43 N ATOM 799 CA ASP A 48 -19.046 21.122 -1.915 1.00 21.21 C ATOM 800 C ASP A 48 -18.322 19.818 -2.236 1.00 50.14 C ATOM 801 O ASP A 48 -17.662 19.235 -1.376 1.00 71.53 O ATOM 802 CB ASP A 48 -20.025 20.905 -0.760 1.00 25.13 C ATOM 803 CG ASP A 48 -20.026 22.060 0.223 1.00 64.53 C ATOM 804 OD1 ASP A 48 -19.594 23.167 -0.162 1.00 30.31 O ATOM 805 OD2 ASP A 48 -20.459 21.856 1.376 1.00 41.30 O ATOM 0 H ASP A 48 -20.677 21.226 -3.228 1.00 74.43 H new ATOM 0 HA ASP A 48 -18.305 21.864 -1.619 1.00 21.21 H new ATOM 0 HB2 ASP A 48 -21.030 20.771 -1.160 1.00 25.13 H new ATOM 0 HB3 ASP A 48 -19.765 19.985 -0.235 1.00 25.13 H new ATOM 810 N ASP A 49 -18.451 19.367 -3.479 1.00 73.40 N ATOM 811 CA ASP A 49 -17.810 18.132 -3.914 1.00 64.44 C ATOM 812 C ASP A 49 -16.863 18.393 -5.081 1.00 45.44 C ATOM 813 O ASP A 49 -16.127 17.503 -5.508 1.00 61.11 O ATOM 814 CB ASP A 49 -18.863 17.099 -4.318 1.00 53.13 C ATOM 815 CG ASP A 49 -19.716 16.653 -3.147 1.00 4.04 C ATOM 816 OD1 ASP A 49 -20.304 17.526 -2.475 1.00 61.01 O ATOM 817 OD2 ASP A 49 -19.794 15.431 -2.901 1.00 23.15 O ATOM 0 H ASP A 49 -18.994 19.838 -4.203 1.00 73.40 H new ATOM 0 HA ASP A 49 -17.230 17.740 -3.079 1.00 64.44 H new ATOM 0 HB2 ASP A 49 -19.505 17.522 -5.091 1.00 53.13 H new ATOM 0 HB3 ASP A 49 -18.368 16.231 -4.754 1.00 53.13 H new ATOM 822 N ILE A 50 -16.887 19.619 -5.593 1.00 54.32 N ATOM 823 CA ILE A 50 -16.031 19.998 -6.711 1.00 32.45 C ATOM 824 C ILE A 50 -14.775 20.712 -6.223 1.00 60.33 C ATOM 825 O ILE A 50 -13.703 20.577 -6.814 1.00 73.30 O ATOM 826 CB ILE A 50 -16.774 20.910 -7.705 1.00 25.30 C ATOM 827 CG1 ILE A 50 -15.891 21.200 -8.921 1.00 10.33 C ATOM 828 CG2 ILE A 50 -17.191 22.205 -7.025 1.00 54.02 C ATOM 829 CD1 ILE A 50 -16.413 20.595 -10.205 1.00 20.32 C ATOM 0 H ILE A 50 -17.490 20.367 -5.251 1.00 54.32 H new ATOM 0 HA ILE A 50 -15.748 19.076 -7.219 1.00 32.45 H new ATOM 0 HB ILE A 50 -17.673 20.396 -8.046 1.00 25.30 H new ATOM 0 HG12 ILE A 50 -15.803 22.279 -9.047 1.00 10.33 H new ATOM 0 HG13 ILE A 50 -14.888 20.818 -8.731 1.00 10.33 H new ATOM 0 HG21 ILE A 50 -17.715 22.839 -7.740 1.00 54.02 H new ATOM 0 HG22 ILE A 50 -17.851 21.980 -6.188 1.00 54.02 H new ATOM 0 HG23 ILE A 50 -16.306 22.725 -6.659 1.00 54.02 H new ATOM 0 HD11 ILE A 50 -15.737 20.841 -11.024 1.00 20.32 H new ATOM 0 HD12 ILE A 50 -16.475 19.512 -10.098 1.00 20.32 H new ATOM 0 HD13 ILE A 50 -17.404 20.995 -10.419 1.00 20.32 H new ATOM 841 N ARG A 51 -14.914 21.470 -5.141 1.00 54.41 N ATOM 842 CA ARG A 51 -13.791 22.206 -4.574 1.00 24.55 C ATOM 843 C ARG A 51 -12.892 21.280 -3.758 1.00 41.41 C ATOM 844 O ARG A 51 -11.738 21.606 -3.477 1.00 50.10 O ATOM 845 CB ARG A 51 -14.295 23.350 -3.693 1.00 40.30 C ATOM 846 CG ARG A 51 -14.446 22.972 -2.229 1.00 21.42 C ATOM 847 CD ARG A 51 -15.592 21.994 -2.022 1.00 13.25 C ATOM 848 NE ARG A 51 -15.572 21.401 -0.687 1.00 2.51 N ATOM 849 CZ ARG A 51 -15.862 22.075 0.421 1.00 60.22 C ATOM 850 NH1 ARG A 51 -16.194 23.357 0.354 1.00 63.34 N ATOM 851 NH2 ARG A 51 -15.821 21.466 1.599 1.00 72.52 N ATOM 0 H ARG A 51 -15.794 21.591 -4.639 1.00 54.41 H new ATOM 0 HA ARG A 51 -13.208 22.620 -5.397 1.00 24.55 H new ATOM 0 HB2 ARG A 51 -13.605 24.190 -3.773 1.00 40.30 H new ATOM 0 HB3 ARG A 51 -15.258 23.692 -4.072 1.00 40.30 H new ATOM 0 HG2 ARG A 51 -13.518 22.528 -1.869 1.00 21.42 H new ATOM 0 HG3 ARG A 51 -14.621 23.870 -1.636 1.00 21.42 H new ATOM 0 HD2 ARG A 51 -16.540 22.509 -2.176 1.00 13.25 H new ATOM 0 HD3 ARG A 51 -15.534 21.204 -2.770 1.00 13.25 H new ATOM 0 HE ARG A 51 -15.322 20.416 -0.601 1.00 2.51 H new ATOM 0 HH11 ARG A 51 -16.227 23.829 -0.550 1.00 63.34 H new ATOM 0 HH12 ARG A 51 -16.416 23.872 1.206 1.00 63.34 H new ATOM 0 HH21 ARG A 51 -15.567 20.480 1.655 1.00 72.52 H new ATOM 0 HH22 ARG A 51 -16.044 21.984 2.449 1.00 72.52 H new ATOM 865 N THR A 52 -13.429 20.124 -3.380 1.00 2.41 N ATOM 866 CA THR A 52 -12.677 19.153 -2.596 1.00 32.23 C ATOM 867 C THR A 52 -11.903 18.199 -3.498 1.00 23.11 C ATOM 868 O THR A 52 -10.855 17.679 -3.115 1.00 23.51 O ATOM 869 CB THR A 52 -13.604 18.334 -1.678 1.00 12.15 C ATOM 870 OG1 THR A 52 -12.833 17.415 -0.896 1.00 4.31 O ATOM 871 CG2 THR A 52 -14.637 17.571 -2.493 1.00 51.00 C ATOM 0 H THR A 52 -14.382 19.838 -3.604 1.00 2.41 H new ATOM 0 HA THR A 52 -11.976 19.718 -1.982 1.00 32.23 H new ATOM 0 HB THR A 52 -14.125 19.025 -1.016 1.00 12.15 H new ATOM 0 HG1 THR A 52 -13.430 16.900 -0.314 1.00 4.31 H new ATOM 0 HG21 THR A 52 -15.280 17.000 -1.823 1.00 51.00 H new ATOM 0 HG22 THR A 52 -15.242 18.275 -3.064 1.00 51.00 H new ATOM 0 HG23 THR A 52 -14.130 16.890 -3.177 1.00 51.00 H new ATOM 879 N LYS A 53 -12.424 17.973 -4.699 1.00 13.50 N ATOM 880 CA LYS A 53 -11.781 17.083 -5.658 1.00 51.31 C ATOM 881 C LYS A 53 -11.050 17.880 -6.734 1.00 74.24 C ATOM 882 O LYS A 53 -10.017 17.448 -7.246 1.00 74.42 O ATOM 883 CB LYS A 53 -12.818 16.163 -6.306 1.00 31.35 C ATOM 884 CG LYS A 53 -13.644 15.376 -5.302 1.00 64.13 C ATOM 885 CD LYS A 53 -14.947 14.888 -5.913 1.00 24.10 C ATOM 886 CE LYS A 53 -14.811 13.475 -6.459 1.00 73.30 C ATOM 887 NZ LYS A 53 -16.102 12.734 -6.408 1.00 13.34 N ATOM 0 H LYS A 53 -13.291 18.395 -5.032 1.00 13.50 H new ATOM 0 HA LYS A 53 -11.052 16.477 -5.121 1.00 51.31 H new ATOM 0 HB2 LYS A 53 -13.487 16.762 -6.924 1.00 31.35 H new ATOM 0 HB3 LYS A 53 -12.308 15.466 -6.971 1.00 31.35 H new ATOM 0 HG2 LYS A 53 -13.067 14.523 -4.944 1.00 64.13 H new ATOM 0 HG3 LYS A 53 -13.859 16.002 -4.436 1.00 64.13 H new ATOM 0 HD2 LYS A 53 -15.735 14.914 -5.161 1.00 24.10 H new ATOM 0 HD3 LYS A 53 -15.249 15.562 -6.715 1.00 24.10 H new ATOM 0 HE2 LYS A 53 -14.456 13.516 -7.489 1.00 73.30 H new ATOM 0 HE3 LYS A 53 -14.059 12.934 -5.884 1.00 73.30 H new ATOM 0 HZ1 LYS A 53 -15.967 11.776 -6.789 1.00 13.34 H new ATOM 0 HZ2 LYS A 53 -16.428 12.672 -5.422 1.00 13.34 H new ATOM 0 HZ3 LYS A 53 -16.813 13.236 -6.977 1.00 13.34 H new ATOM 901 N TYR A 54 -11.592 19.045 -7.072 1.00 72.41 N ATOM 902 CA TYR A 54 -10.992 19.901 -8.088 1.00 60.22 C ATOM 903 C TYR A 54 -10.839 21.330 -7.576 1.00 31.43 C ATOM 904 O TYR A 54 -10.946 22.289 -8.338 1.00 1.52 O ATOM 905 CB TYR A 54 -11.842 19.891 -9.360 1.00 1.51 C ATOM 906 CG TYR A 54 -12.357 18.520 -9.734 1.00 20.00 C ATOM 907 CD1 TYR A 54 -11.491 17.528 -10.176 1.00 60.41 C ATOM 908 CD2 TYR A 54 -13.710 18.216 -9.644 1.00 40.32 C ATOM 909 CE1 TYR A 54 -11.957 16.274 -10.520 1.00 34.44 C ATOM 910 CE2 TYR A 54 -14.185 16.964 -9.984 1.00 51.42 C ATOM 911 CZ TYR A 54 -13.305 15.997 -10.422 1.00 31.32 C ATOM 912 OH TYR A 54 -13.773 14.748 -10.762 1.00 15.34 O ATOM 0 H TYR A 54 -12.446 19.418 -6.657 1.00 72.41 H new ATOM 0 HA TYR A 54 -10.001 19.509 -8.318 1.00 60.22 H new ATOM 0 HB2 TYR A 54 -12.689 20.564 -9.226 1.00 1.51 H new ATOM 0 HB3 TYR A 54 -11.250 20.285 -10.186 1.00 1.51 H new ATOM 0 HD1 TYR A 54 -10.435 17.741 -10.252 1.00 60.41 H new ATOM 0 HD2 TYR A 54 -14.402 18.971 -9.302 1.00 40.32 H new ATOM 0 HE1 TYR A 54 -11.270 15.515 -10.864 1.00 34.44 H new ATOM 0 HE2 TYR A 54 -15.240 16.744 -9.907 1.00 51.42 H new ATOM 0 HH TYR A 54 -14.640 14.595 -10.331 1.00 15.34 H new ATOM 922 N GLY A 55 -10.587 21.462 -6.277 1.00 34.22 N ATOM 923 CA GLY A 55 -10.423 22.776 -5.683 1.00 70.20 C ATOM 924 C GLY A 55 -9.405 23.622 -6.421 1.00 51.42 C ATOM 925 O GLY A 55 -9.423 24.850 -6.327 1.00 20.32 O ATOM 0 H GLY A 55 -10.494 20.683 -5.626 1.00 34.22 H new ATOM 0 HA2 GLY A 55 -11.383 23.291 -5.677 1.00 70.20 H new ATOM 0 HA3 GLY A 55 -10.114 22.666 -4.644 1.00 70.20 H new ATOM 929 N ASP A 56 -8.514 22.966 -7.157 1.00 13.35 N ATOM 930 CA ASP A 56 -7.483 23.667 -7.913 1.00 72.45 C ATOM 931 C ASP A 56 -8.107 24.611 -8.936 1.00 1.51 C ATOM 932 O ASP A 56 -7.794 25.802 -8.969 1.00 0.45 O ATOM 933 CB ASP A 56 -6.569 22.664 -8.619 1.00 25.03 C ATOM 934 CG ASP A 56 -5.109 22.861 -8.261 1.00 25.12 C ATOM 935 OD1 ASP A 56 -4.488 23.802 -8.798 1.00 13.35 O ATOM 936 OD2 ASP A 56 -4.586 22.073 -7.445 1.00 1.15 O ATOM 0 H ASP A 56 -8.485 21.950 -7.246 1.00 13.35 H new ATOM 0 HA ASP A 56 -6.892 24.257 -7.213 1.00 72.45 H new ATOM 0 HB2 ASP A 56 -6.872 21.651 -8.353 1.00 25.03 H new ATOM 0 HB3 ASP A 56 -6.692 22.761 -9.698 1.00 25.03 H new ATOM 941 N LEU A 57 -8.990 24.073 -9.770 1.00 4.01 N ATOM 942 CA LEU A 57 -9.657 24.868 -10.795 1.00 73.30 C ATOM 943 C LEU A 57 -10.857 25.608 -10.214 1.00 54.50 C ATOM 944 O LEU A 57 -11.180 26.718 -10.638 1.00 51.31 O ATOM 945 CB LEU A 57 -10.107 23.972 -11.950 1.00 60.24 C ATOM 946 CG LEU A 57 -10.455 22.528 -11.584 1.00 41.54 C ATOM 947 CD1 LEU A 57 -11.605 22.023 -12.441 1.00 60.24 C ATOM 948 CD2 LEU A 57 -9.236 21.630 -11.740 1.00 14.30 C ATOM 0 H LEU A 57 -9.261 23.090 -9.757 1.00 4.01 H new ATOM 0 HA LEU A 57 -8.946 25.604 -11.170 1.00 73.30 H new ATOM 0 HB2 LEU A 57 -10.980 24.427 -12.418 1.00 60.24 H new ATOM 0 HB3 LEU A 57 -9.316 23.955 -12.700 1.00 60.24 H new ATOM 0 HG LEU A 57 -10.769 22.503 -10.540 1.00 41.54 H new ATOM 0 HD11 LEU A 57 -11.839 20.994 -12.167 1.00 60.24 H new ATOM 0 HD12 LEU A 57 -12.482 22.650 -12.279 1.00 60.24 H new ATOM 0 HD13 LEU A 57 -11.320 22.062 -13.492 1.00 60.24 H new ATOM 0 HD21 LEU A 57 -9.502 20.607 -11.475 1.00 14.30 H new ATOM 0 HD22 LEU A 57 -8.892 21.660 -12.774 1.00 14.30 H new ATOM 0 HD23 LEU A 57 -8.440 21.980 -11.083 1.00 14.30 H new ATOM 960 N VAL A 58 -11.514 24.988 -9.239 1.00 72.11 N ATOM 961 CA VAL A 58 -12.677 25.589 -8.597 1.00 42.40 C ATOM 962 C VAL A 58 -12.351 26.979 -8.062 1.00 12.23 C ATOM 963 O VAL A 58 -13.159 27.902 -8.169 1.00 33.14 O ATOM 964 CB VAL A 58 -13.195 24.714 -7.440 1.00 42.13 C ATOM 965 CG1 VAL A 58 -14.359 25.394 -6.736 1.00 3.13 C ATOM 966 CG2 VAL A 58 -13.600 23.340 -7.953 1.00 11.34 C ATOM 0 H VAL A 58 -11.260 24.069 -8.876 1.00 72.11 H new ATOM 0 HA VAL A 58 -13.453 25.668 -9.358 1.00 42.40 H new ATOM 0 HB VAL A 58 -12.390 24.584 -6.716 1.00 42.13 H new ATOM 0 HG11 VAL A 58 -14.712 24.761 -5.922 1.00 3.13 H new ATOM 0 HG12 VAL A 58 -14.031 26.353 -6.334 1.00 3.13 H new ATOM 0 HG13 VAL A 58 -15.169 25.556 -7.447 1.00 3.13 H new ATOM 0 HG21 VAL A 58 -13.964 22.734 -7.123 1.00 11.34 H new ATOM 0 HG22 VAL A 58 -14.389 23.448 -8.697 1.00 11.34 H new ATOM 0 HG23 VAL A 58 -12.737 22.852 -8.407 1.00 11.34 H new ATOM 976 N ASP A 59 -11.163 27.122 -7.486 1.00 64.21 N ATOM 977 CA ASP A 59 -10.728 28.400 -6.935 1.00 13.22 C ATOM 978 C ASP A 59 -10.204 29.317 -8.036 1.00 32.21 C ATOM 979 O ASP A 59 -9.689 30.401 -7.762 1.00 14.01 O ATOM 980 CB ASP A 59 -9.645 28.182 -5.877 1.00 14.20 C ATOM 981 CG ASP A 59 -10.146 27.377 -4.694 1.00 3.44 C ATOM 982 OD1 ASP A 59 -11.357 27.078 -4.650 1.00 31.01 O ATOM 983 OD2 ASP A 59 -9.326 27.048 -3.811 1.00 20.33 O ATOM 0 H ASP A 59 -10.483 26.368 -7.388 1.00 64.21 H new ATOM 0 HA ASP A 59 -11.589 28.878 -6.469 1.00 13.22 H new ATOM 0 HB2 ASP A 59 -8.797 27.668 -6.330 1.00 14.20 H new ATOM 0 HB3 ASP A 59 -9.282 29.149 -5.528 1.00 14.20 H new ATOM 988 N ASP A 60 -10.338 28.873 -9.281 1.00 2.50 N ATOM 989 CA ASP A 60 -9.878 29.654 -10.424 1.00 22.31 C ATOM 990 C ASP A 60 -11.048 30.046 -11.321 1.00 21.33 C ATOM 991 O ASP A 60 -10.936 30.956 -12.142 1.00 14.32 O ATOM 992 CB ASP A 60 -8.846 28.861 -11.228 1.00 32.22 C ATOM 993 CG ASP A 60 -7.434 29.059 -10.713 1.00 31.12 C ATOM 994 OD1 ASP A 60 -6.984 30.222 -10.647 1.00 42.13 O ATOM 995 OD2 ASP A 60 -6.780 28.051 -10.374 1.00 64.24 O ATOM 0 H ASP A 60 -10.761 27.977 -9.525 1.00 2.50 H new ATOM 0 HA ASP A 60 -9.412 30.564 -10.047 1.00 22.31 H new ATOM 0 HB2 ASP A 60 -9.098 27.801 -11.191 1.00 32.22 H new ATOM 0 HB3 ASP A 60 -8.894 29.164 -12.274 1.00 32.22 H new ATOM 1000 N PHE A 61 -12.169 29.351 -11.159 1.00 14.54 N ATOM 1001 CA PHE A 61 -13.360 29.625 -11.955 1.00 0.41 C ATOM 1002 C PHE A 61 -14.357 30.472 -11.169 1.00 32.42 C ATOM 1003 O PHE A 61 -14.741 31.558 -11.601 1.00 74.54 O ATOM 1004 CB PHE A 61 -14.019 28.316 -12.393 1.00 22.20 C ATOM 1005 CG PHE A 61 -15.317 28.513 -13.122 1.00 34.43 C ATOM 1006 CD1 PHE A 61 -15.329 28.810 -14.475 1.00 35.30 C ATOM 1007 CD2 PHE A 61 -16.526 28.401 -12.453 1.00 61.13 C ATOM 1008 CE1 PHE A 61 -16.523 28.991 -15.149 1.00 3.02 C ATOM 1009 CE2 PHE A 61 -17.722 28.581 -13.122 1.00 31.32 C ATOM 1010 CZ PHE A 61 -17.721 28.877 -14.471 1.00 5.32 C ATOM 0 H PHE A 61 -12.278 28.594 -10.484 1.00 14.54 H new ATOM 0 HA PHE A 61 -13.054 30.183 -12.840 1.00 0.41 H new ATOM 0 HB2 PHE A 61 -13.330 27.769 -13.036 1.00 22.20 H new ATOM 0 HB3 PHE A 61 -14.196 27.696 -11.514 1.00 22.20 H new ATOM 0 HD1 PHE A 61 -14.395 28.901 -15.010 1.00 35.30 H new ATOM 0 HD2 PHE A 61 -16.533 28.171 -11.398 1.00 61.13 H new ATOM 0 HE1 PHE A 61 -16.519 29.221 -16.204 1.00 3.02 H new ATOM 0 HE2 PHE A 61 -18.657 28.490 -12.590 1.00 31.32 H new ATOM 0 HZ PHE A 61 -18.655 29.019 -14.995 1.00 5.32 H new