USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 LYS NZ :NH3+ -154:sc= 1.16 (180deg=-0.224) USER MOD Set 1.2: A 43 THR OG1 : rot 180:sc= 0.85 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.405 X(o=-0.41,f=-0.9) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.955 USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0405) USER MOD Single : A 48 SER OG : rot -66:sc= 0.845 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00227) USER MOD Single : A 57 THR OG1 : rot -31:sc= 0.605 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.0586 X(o=-0.059,f=-0.52) USER MOD Single : A 66 SER OG : rot 90:sc= 0.811 USER MOD Single : A 67 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.11) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.363 USER MOD ----------------------------------------------------------------- ATOM 273 N ARG A 18 -8.055 -9.355 -0.818 1.00 54.55 N ATOM 274 CA ARG A 18 -7.802 -9.507 0.619 1.00 74.24 C ATOM 275 C ARG A 18 -7.235 -8.214 1.221 1.00 32.44 C ATOM 276 O ARG A 18 -6.509 -7.469 0.560 1.00 62.35 O ATOM 277 CB ARG A 18 -6.834 -10.677 0.851 1.00 0.44 C ATOM 278 CG ARG A 18 -5.646 -10.676 -0.104 1.00 23.13 C ATOM 279 CD ARG A 18 -4.700 -11.846 0.141 1.00 24.14 C ATOM 280 NE ARG A 18 -3.702 -11.960 -0.923 1.00 44.30 N ATOM 281 CZ ARG A 18 -2.413 -11.868 -0.741 1.00 12.12 C ATOM 282 NH1 ARG A 18 -1.930 -11.656 0.439 1.00 55.34 N ATOM 283 NH2 ARG A 18 -1.614 -11.988 -1.748 1.00 34.43 N ATOM 0 HA ARG A 18 -8.748 -9.718 1.118 1.00 74.24 H new ATOM 0 HB2 ARG A 18 -6.467 -10.638 1.877 1.00 0.44 H new ATOM 0 HB3 ARG A 18 -7.377 -11.616 0.743 1.00 0.44 H new ATOM 0 HG2 ARG A 18 -6.009 -10.715 -1.131 1.00 23.13 H new ATOM 0 HG3 ARG A 18 -5.097 -9.740 0.004 1.00 23.13 H new ATOM 0 HD2 ARG A 18 -4.198 -11.715 1.100 1.00 24.14 H new ATOM 0 HD3 ARG A 18 -5.273 -12.771 0.205 1.00 24.14 H new ATOM 0 HE ARG A 18 -4.037 -12.123 -1.873 1.00 44.30 H new ATOM 0 HH11 ARG A 18 -2.558 -11.559 1.237 1.00 55.34 H new ATOM 0 HH12 ARG A 18 -0.921 -11.586 0.572 1.00 55.34 H new ATOM 0 HH21 ARG A 18 -1.991 -12.154 -2.681 1.00 34.43 H new ATOM 0 HH22 ARG A 18 -0.606 -11.917 -1.610 1.00 34.43 H new ATOM 297 N LYS A 19 -7.578 -7.952 2.475 1.00 51.20 N ATOM 298 CA LYS A 19 -7.131 -6.739 3.166 1.00 34.03 C ATOM 299 C LYS A 19 -5.960 -7.018 4.125 1.00 50.14 C ATOM 300 O LYS A 19 -5.945 -8.026 4.835 1.00 12.31 O ATOM 301 CB LYS A 19 -8.302 -6.105 3.929 1.00 50.52 C ATOM 302 CG LYS A 19 -9.294 -5.359 3.036 1.00 52.12 C ATOM 303 CD LYS A 19 -10.456 -4.776 3.843 1.00 71.04 C ATOM 304 CE LYS A 19 -11.315 -3.825 3.013 1.00 11.14 C ATOM 305 NZ LYS A 19 -10.571 -2.595 2.618 1.00 12.41 N ATOM 0 H LYS A 19 -8.167 -8.563 3.041 1.00 51.20 H new ATOM 0 HA LYS A 19 -6.772 -6.043 2.408 1.00 34.03 H new ATOM 0 HB2 LYS A 19 -8.834 -6.886 4.472 1.00 50.52 H new ATOM 0 HB3 LYS A 19 -7.906 -5.413 4.672 1.00 50.52 H new ATOM 0 HG2 LYS A 19 -8.777 -4.556 2.510 1.00 52.12 H new ATOM 0 HG3 LYS A 19 -9.683 -6.038 2.277 1.00 52.12 H new ATOM 0 HD2 LYS A 19 -11.077 -5.588 4.221 1.00 71.04 H new ATOM 0 HD3 LYS A 19 -10.063 -4.245 4.710 1.00 71.04 H new ATOM 0 HE2 LYS A 19 -11.663 -4.340 2.118 1.00 11.14 H new ATOM 0 HE3 LYS A 19 -12.200 -3.545 3.584 1.00 11.14 H new ATOM 0 HZ1 LYS A 19 -11.244 -1.817 2.464 1.00 12.41 H new ATOM 0 HZ2 LYS A 19 -9.907 -2.333 3.374 1.00 12.41 H new ATOM 0 HZ3 LYS A 19 -10.043 -2.775 1.740 1.00 12.41 H new ATOM 319 N VAL A 20 -4.987 -6.108 4.139 1.00 74.11 N ATOM 320 CA VAL A 20 -3.811 -6.203 5.019 1.00 52.43 C ATOM 321 C VAL A 20 -3.672 -4.936 5.882 1.00 32.41 C ATOM 322 O VAL A 20 -4.421 -3.976 5.706 1.00 64.30 O ATOM 323 CB VAL A 20 -2.509 -6.411 4.195 1.00 30.02 C ATOM 324 CG1 VAL A 20 -2.553 -7.734 3.432 1.00 22.21 C ATOM 325 CG2 VAL A 20 -2.280 -5.242 3.236 1.00 72.42 C ATOM 0 H VAL A 20 -4.987 -5.281 3.542 1.00 74.11 H new ATOM 0 HA VAL A 20 -3.958 -7.066 5.668 1.00 52.43 H new ATOM 0 HB VAL A 20 -1.672 -6.449 4.892 1.00 30.02 H new ATOM 0 HG11 VAL A 20 -1.631 -7.857 2.863 1.00 22.21 H new ATOM 0 HG12 VAL A 20 -2.656 -8.558 4.138 1.00 22.21 H new ATOM 0 HG13 VAL A 20 -3.403 -7.732 2.750 1.00 22.21 H new ATOM 0 HG21 VAL A 20 -1.363 -5.410 2.670 1.00 72.42 H new ATOM 0 HG22 VAL A 20 -3.122 -5.165 2.548 1.00 72.42 H new ATOM 0 HG23 VAL A 20 -2.191 -4.317 3.805 1.00 72.42 H new ATOM 335 N ARG A 21 -2.709 -4.924 6.803 1.00 1.44 N ATOM 336 CA ARG A 21 -2.536 -3.786 7.721 1.00 4.22 C ATOM 337 C ARG A 21 -1.143 -3.143 7.587 1.00 73.24 C ATOM 338 O ARG A 21 -0.119 -3.832 7.594 1.00 11.33 O ATOM 339 CB ARG A 21 -2.787 -4.234 9.172 1.00 2.02 C ATOM 340 CG ARG A 21 -2.547 -3.137 10.207 1.00 1.43 C ATOM 341 CD ARG A 21 -3.065 -3.525 11.590 1.00 13.04 C ATOM 342 NE ARG A 21 -2.512 -4.795 12.063 1.00 12.11 N ATOM 343 CZ ARG A 21 -2.007 -4.982 13.253 1.00 40.40 C ATOM 344 NH1 ARG A 21 -1.895 -3.997 14.087 1.00 2.34 N ATOM 345 NH2 ARG A 21 -1.613 -6.162 13.602 1.00 22.15 N ATOM 0 H ARG A 21 -2.039 -5.681 6.937 1.00 1.44 H new ATOM 0 HA ARG A 21 -3.269 -3.027 7.448 1.00 4.22 H new ATOM 0 HB2 ARG A 21 -3.815 -4.586 9.261 1.00 2.02 H new ATOM 0 HB3 ARG A 21 -2.140 -5.081 9.398 1.00 2.02 H new ATOM 0 HG2 ARG A 21 -1.480 -2.924 10.267 1.00 1.43 H new ATOM 0 HG3 ARG A 21 -3.037 -2.219 9.882 1.00 1.43 H new ATOM 0 HD2 ARG A 21 -2.816 -2.737 12.301 1.00 13.04 H new ATOM 0 HD3 ARG A 21 -4.152 -3.595 11.560 1.00 13.04 H new ATOM 0 HE ARG A 21 -2.522 -5.587 11.420 1.00 12.11 H new ATOM 0 HH11 ARG A 21 -2.203 -3.063 13.817 1.00 2.34 H new ATOM 0 HH12 ARG A 21 -1.499 -4.156 15.013 1.00 2.34 H new ATOM 0 HH21 ARG A 21 -1.697 -6.941 12.950 1.00 22.15 H new ATOM 0 HH22 ARG A 21 -1.218 -6.314 14.530 1.00 22.15 H new ATOM 359 N ALA A 22 -1.118 -1.816 7.454 1.00 22.15 N ATOM 360 CA ALA A 22 0.138 -1.062 7.347 1.00 62.04 C ATOM 361 C ALA A 22 0.801 -0.852 8.720 1.00 12.54 C ATOM 362 O ALA A 22 0.154 -0.392 9.665 1.00 33.41 O ATOM 363 CB ALA A 22 -0.123 0.284 6.674 1.00 55.54 C ATOM 0 H ALA A 22 -1.956 -1.236 7.417 1.00 22.15 H new ATOM 0 HA ALA A 22 0.828 -1.647 6.739 1.00 62.04 H new ATOM 0 HB1 ALA A 22 0.812 0.840 6.597 1.00 55.54 H new ATOM 0 HB2 ALA A 22 -0.530 0.119 5.677 1.00 55.54 H new ATOM 0 HB3 ALA A 22 -0.837 0.855 7.268 1.00 55.54 H new ATOM 369 N ILE A 23 2.088 -1.187 8.827 1.00 4.53 N ATOM 370 CA ILE A 23 2.829 -1.018 10.088 1.00 23.41 C ATOM 371 C ILE A 23 3.611 0.309 10.123 1.00 14.03 C ATOM 372 O ILE A 23 3.796 0.899 11.189 1.00 71.42 O ATOM 373 CB ILE A 23 3.791 -2.209 10.356 1.00 41.15 C ATOM 374 CG1 ILE A 23 4.728 -2.442 9.158 1.00 51.22 C ATOM 375 CG2 ILE A 23 2.993 -3.476 10.673 1.00 33.32 C ATOM 376 CD1 ILE A 23 5.676 -3.611 9.330 1.00 64.21 C ATOM 0 H ILE A 23 2.641 -1.575 8.063 1.00 4.53 H new ATOM 0 HA ILE A 23 2.082 -0.994 10.881 1.00 23.41 H new ATOM 0 HB ILE A 23 4.408 -1.962 11.220 1.00 41.15 H new ATOM 0 HG12 ILE A 23 4.124 -2.606 8.265 1.00 51.22 H new ATOM 0 HG13 ILE A 23 5.312 -1.538 8.986 1.00 51.22 H new ATOM 0 HG21 ILE A 23 3.680 -4.302 10.858 1.00 33.32 H new ATOM 0 HG22 ILE A 23 2.380 -3.308 11.559 1.00 33.32 H new ATOM 0 HG23 ILE A 23 2.350 -3.722 9.828 1.00 33.32 H new ATOM 0 HD11 ILE A 23 6.301 -3.706 8.442 1.00 64.21 H new ATOM 0 HD12 ILE A 23 6.308 -3.442 10.202 1.00 64.21 H new ATOM 0 HD13 ILE A 23 5.102 -4.527 9.470 1.00 64.21 H new ATOM 388 N TYR A 24 4.053 0.790 8.957 1.00 5.51 N ATOM 389 CA TYR A 24 4.738 2.091 8.866 1.00 54.24 C ATOM 390 C TYR A 24 3.938 3.073 7.993 1.00 34.41 C ATOM 391 O TYR A 24 3.198 2.663 7.101 1.00 62.02 O ATOM 392 CB TYR A 24 6.153 1.929 8.285 1.00 21.15 C ATOM 393 CG TYR A 24 7.028 0.936 9.031 1.00 12.53 C ATOM 394 CD1 TYR A 24 7.403 1.157 10.353 1.00 54.40 C ATOM 395 CD2 TYR A 24 7.478 -0.224 8.410 1.00 35.03 C ATOM 396 CE1 TYR A 24 8.200 0.251 11.029 1.00 65.04 C ATOM 397 CE2 TYR A 24 8.273 -1.131 9.080 1.00 14.35 C ATOM 398 CZ TYR A 24 8.629 -0.890 10.387 1.00 10.52 C ATOM 399 OH TYR A 24 9.425 -1.794 11.054 1.00 13.31 O ATOM 0 H TYR A 24 3.952 0.304 8.066 1.00 5.51 H new ATOM 0 HA TYR A 24 4.813 2.492 9.877 1.00 54.24 H new ATOM 0 HB2 TYR A 24 6.072 1.613 7.245 1.00 21.15 H new ATOM 0 HB3 TYR A 24 6.646 2.901 8.285 1.00 21.15 H new ATOM 0 HD1 TYR A 24 7.066 2.050 10.859 1.00 54.40 H new ATOM 0 HD2 TYR A 24 7.200 -0.418 7.385 1.00 35.03 H new ATOM 0 HE1 TYR A 24 8.484 0.437 12.054 1.00 65.04 H new ATOM 0 HE2 TYR A 24 8.614 -2.026 8.581 1.00 14.35 H new ATOM 0 HH TYR A 24 9.638 -2.543 10.459 1.00 13.31 H new ATOM 409 N ASP A 25 4.082 4.370 8.263 1.00 4.13 N ATOM 410 CA ASP A 25 3.406 5.405 7.473 1.00 41.41 C ATOM 411 C ASP A 25 4.317 5.912 6.340 1.00 62.21 C ATOM 412 O ASP A 25 5.511 6.139 6.547 1.00 2.20 O ATOM 413 CB ASP A 25 2.980 6.567 8.383 1.00 23.55 C ATOM 414 CG ASP A 25 4.163 7.275 9.032 1.00 52.51 C ATOM 415 OD1 ASP A 25 4.955 6.609 9.733 1.00 41.05 O ATOM 416 OD2 ASP A 25 4.306 8.503 8.850 1.00 32.12 O ATOM 0 H ASP A 25 4.660 4.731 9.022 1.00 4.13 H new ATOM 0 HA ASP A 25 2.516 4.968 7.020 1.00 41.41 H new ATOM 0 HB2 ASP A 25 2.407 7.288 7.800 1.00 23.55 H new ATOM 0 HB3 ASP A 25 2.318 6.188 9.162 1.00 23.55 H new ATOM 421 N PHE A 26 3.756 6.092 5.144 1.00 34.23 N ATOM 422 CA PHE A 26 4.553 6.505 3.983 1.00 24.42 C ATOM 423 C PHE A 26 3.722 7.296 2.959 1.00 72.21 C ATOM 424 O PHE A 26 2.618 6.893 2.581 1.00 73.23 O ATOM 425 CB PHE A 26 5.176 5.271 3.313 1.00 3.32 C ATOM 426 CG PHE A 26 6.066 5.589 2.133 1.00 32.20 C ATOM 427 CD1 PHE A 26 7.372 6.019 2.324 1.00 41.05 C ATOM 428 CD2 PHE A 26 5.595 5.459 0.833 1.00 52.32 C ATOM 429 CE1 PHE A 26 8.188 6.311 1.246 1.00 43.40 C ATOM 430 CE2 PHE A 26 6.406 5.750 -0.247 1.00 43.31 C ATOM 431 CZ PHE A 26 7.704 6.176 -0.041 1.00 70.03 C ATOM 0 H PHE A 26 2.763 5.961 4.952 1.00 34.23 H new ATOM 0 HA PHE A 26 5.340 7.167 4.344 1.00 24.42 H new ATOM 0 HB2 PHE A 26 5.757 4.723 4.055 1.00 3.32 H new ATOM 0 HB3 PHE A 26 4.376 4.608 2.982 1.00 3.32 H new ATOM 0 HD1 PHE A 26 7.756 6.127 3.328 1.00 41.05 H new ATOM 0 HD2 PHE A 26 4.582 5.126 0.664 1.00 52.32 H new ATOM 0 HE1 PHE A 26 9.202 6.644 1.410 1.00 43.40 H new ATOM 0 HE2 PHE A 26 6.025 5.644 -1.252 1.00 43.31 H new ATOM 0 HZ PHE A 26 8.339 6.403 -0.884 1.00 70.03 H new ATOM 441 N GLU A 27 4.265 8.427 2.519 1.00 65.00 N ATOM 442 CA GLU A 27 3.647 9.233 1.464 1.00 44.52 C ATOM 443 C GLU A 27 4.296 8.933 0.109 1.00 40.42 C ATOM 444 O GLU A 27 5.514 8.799 0.012 1.00 31.05 O ATOM 445 CB GLU A 27 3.769 10.729 1.792 1.00 34.01 C ATOM 446 CG GLU A 27 2.999 11.148 3.041 1.00 35.34 C ATOM 447 CD GLU A 27 3.106 12.637 3.319 1.00 74.31 C ATOM 448 OE1 GLU A 27 2.548 13.436 2.531 1.00 55.24 O ATOM 449 OE2 GLU A 27 3.741 13.019 4.326 1.00 24.42 O ATOM 0 H GLU A 27 5.139 8.811 2.878 1.00 65.00 H new ATOM 0 HA GLU A 27 2.590 8.973 1.407 1.00 44.52 H new ATOM 0 HB2 GLU A 27 4.822 10.978 1.924 1.00 34.01 H new ATOM 0 HB3 GLU A 27 3.409 11.309 0.942 1.00 34.01 H new ATOM 0 HG2 GLU A 27 1.949 10.878 2.924 1.00 35.34 H new ATOM 0 HG3 GLU A 27 3.377 10.593 3.900 1.00 35.34 H new ATOM 456 N ALA A 28 3.475 8.829 -0.932 1.00 15.11 N ATOM 457 CA ALA A 28 3.950 8.451 -2.265 1.00 13.23 C ATOM 458 C ALA A 28 5.015 9.415 -2.808 1.00 23.31 C ATOM 459 O ALA A 28 4.697 10.507 -3.277 1.00 55.11 O ATOM 460 CB ALA A 28 2.776 8.367 -3.236 1.00 24.05 C ATOM 0 H ALA A 28 2.471 9.002 -0.880 1.00 15.11 H new ATOM 0 HA ALA A 28 4.421 7.473 -2.171 1.00 13.23 H new ATOM 0 HB1 ALA A 28 3.140 8.085 -4.224 1.00 24.05 H new ATOM 0 HB2 ALA A 28 2.066 7.619 -2.884 1.00 24.05 H new ATOM 0 HB3 ALA A 28 2.282 9.337 -3.294 1.00 24.05 H new ATOM 466 N ALA A 29 6.282 9.012 -2.719 1.00 53.32 N ATOM 467 CA ALA A 29 7.381 9.764 -3.339 1.00 14.35 C ATOM 468 C ALA A 29 7.350 9.606 -4.868 1.00 33.13 C ATOM 469 O ALA A 29 7.720 10.513 -5.614 1.00 2.44 O ATOM 470 CB ALA A 29 8.721 9.295 -2.780 1.00 23.31 C ATOM 0 H ALA A 29 6.576 8.170 -2.225 1.00 53.32 H new ATOM 0 HA ALA A 29 7.255 10.821 -3.103 1.00 14.35 H new ATOM 0 HB1 ALA A 29 9.528 9.860 -3.247 1.00 23.31 H new ATOM 0 HB2 ALA A 29 8.742 9.456 -1.702 1.00 23.31 H new ATOM 0 HB3 ALA A 29 8.852 8.234 -2.991 1.00 23.31 H new ATOM 476 N GLU A 30 6.902 8.435 -5.317 1.00 62.35 N ATOM 477 CA GLU A 30 6.722 8.147 -6.742 1.00 21.34 C ATOM 478 C GLU A 30 5.249 8.320 -7.144 1.00 53.02 C ATOM 479 O GLU A 30 4.346 8.053 -6.350 1.00 4.10 O ATOM 480 CB GLU A 30 7.179 6.714 -7.048 1.00 1.10 C ATOM 481 CG GLU A 30 8.662 6.466 -6.781 1.00 22.31 C ATOM 482 CD GLU A 30 9.566 7.296 -7.680 1.00 51.13 C ATOM 483 OE1 GLU A 30 9.569 7.057 -8.907 1.00 22.23 O ATOM 484 OE2 GLU A 30 10.272 8.190 -7.167 1.00 35.15 O ATOM 0 H GLU A 30 6.653 7.658 -4.705 1.00 62.35 H new ATOM 0 HA GLU A 30 7.326 8.849 -7.317 1.00 21.34 H new ATOM 0 HB2 GLU A 30 6.591 6.020 -6.448 1.00 1.10 H new ATOM 0 HB3 GLU A 30 6.966 6.491 -8.093 1.00 1.10 H new ATOM 0 HG2 GLU A 30 8.883 6.696 -5.739 1.00 22.31 H new ATOM 0 HG3 GLU A 30 8.882 5.409 -6.928 1.00 22.31 H new ATOM 491 N ASP A 31 5.001 8.751 -8.377 1.00 60.12 N ATOM 492 CA ASP A 31 3.630 8.976 -8.856 1.00 50.55 C ATOM 493 C ASP A 31 2.852 7.657 -9.009 1.00 62.43 C ATOM 494 O ASP A 31 1.619 7.644 -9.008 1.00 21.53 O ATOM 495 CB ASP A 31 3.663 9.738 -10.181 1.00 51.54 C ATOM 496 CG ASP A 31 4.366 11.076 -10.041 1.00 52.33 C ATOM 497 OD1 ASP A 31 3.706 12.063 -9.655 1.00 42.24 O ATOM 498 OD2 ASP A 31 5.585 11.145 -10.302 1.00 1.02 O ATOM 0 H ASP A 31 5.726 8.953 -9.066 1.00 60.12 H new ATOM 0 HA ASP A 31 3.106 9.573 -8.109 1.00 50.55 H new ATOM 0 HB2 ASP A 31 4.172 9.137 -10.934 1.00 51.54 H new ATOM 0 HB3 ASP A 31 2.644 9.897 -10.535 1.00 51.54 H new ATOM 503 N ASN A 32 3.577 6.549 -9.140 1.00 65.51 N ATOM 504 CA ASN A 32 2.960 5.216 -9.188 1.00 23.02 C ATOM 505 C ASN A 32 2.688 4.666 -7.778 1.00 21.31 C ATOM 506 O ASN A 32 2.007 3.653 -7.622 1.00 74.14 O ATOM 507 CB ASN A 32 3.865 4.238 -9.947 1.00 23.12 C ATOM 508 CG ASN A 32 5.257 4.155 -9.342 1.00 33.04 C ATOM 509 OD1 ASN A 32 6.169 4.864 -9.756 1.00 42.01 O ATOM 510 ND2 ASN A 32 5.433 3.308 -8.345 1.00 31.21 N ATOM 0 H ASN A 32 4.594 6.543 -9.215 1.00 65.51 H new ATOM 0 HA ASN A 32 2.007 5.317 -9.708 1.00 23.02 H new ATOM 0 HB2 ASN A 32 3.410 3.248 -9.944 1.00 23.12 H new ATOM 0 HB3 ASN A 32 3.942 4.550 -10.988 1.00 23.12 H new ATOM 0 HD21 ASN A 32 6.346 3.230 -7.897 1.00 31.21 H new ATOM 0 HD22 ASN A 32 4.656 2.731 -8.022 1.00 31.21 H new ATOM 517 N GLU A 33 3.225 5.340 -6.763 1.00 43.22 N ATOM 518 CA GLU A 33 3.155 4.858 -5.376 1.00 63.44 C ATOM 519 C GLU A 33 1.850 5.305 -4.688 1.00 22.34 C ATOM 520 O GLU A 33 1.163 6.217 -5.155 1.00 24.21 O ATOM 521 CB GLU A 33 4.373 5.379 -4.588 1.00 22.34 C ATOM 522 CG GLU A 33 4.745 4.546 -3.355 1.00 73.02 C ATOM 523 CD GLU A 33 5.576 3.307 -3.682 1.00 3.54 C ATOM 524 OE1 GLU A 33 5.784 3.013 -4.880 1.00 52.44 O ATOM 525 OE2 GLU A 33 6.049 2.633 -2.736 1.00 32.01 O ATOM 0 H GLU A 33 3.717 6.227 -6.871 1.00 43.22 H new ATOM 0 HA GLU A 33 3.165 3.768 -5.392 1.00 63.44 H new ATOM 0 HB2 GLU A 33 5.233 5.416 -5.257 1.00 22.34 H new ATOM 0 HB3 GLU A 33 4.172 6.402 -4.271 1.00 22.34 H new ATOM 0 HG2 GLU A 33 5.301 5.173 -2.658 1.00 73.02 H new ATOM 0 HG3 GLU A 33 3.832 4.237 -2.847 1.00 73.02 H new ATOM 532 N LEU A 34 1.517 4.652 -3.578 1.00 70.34 N ATOM 533 CA LEU A 34 0.291 4.950 -2.826 1.00 63.22 C ATOM 534 C LEU A 34 0.612 5.724 -1.531 1.00 5.24 C ATOM 535 O LEU A 34 1.457 5.304 -0.743 1.00 15.22 O ATOM 536 CB LEU A 34 -0.433 3.632 -2.480 1.00 31.00 C ATOM 537 CG LEU A 34 -1.977 3.685 -2.463 1.00 32.22 C ATOM 538 CD1 LEU A 34 -2.554 2.337 -2.040 1.00 3.54 C ATOM 539 CD2 LEU A 34 -2.502 4.799 -1.559 1.00 2.14 C ATOM 0 H LEU A 34 2.082 3.906 -3.173 1.00 70.34 H new ATOM 0 HA LEU A 34 -0.353 5.574 -3.446 1.00 63.22 H new ATOM 0 HB2 LEU A 34 -0.124 2.873 -3.199 1.00 31.00 H new ATOM 0 HB3 LEU A 34 -0.091 3.301 -1.500 1.00 31.00 H new ATOM 0 HG LEU A 34 -2.305 3.908 -3.478 1.00 32.22 H new ATOM 0 HD11 LEU A 34 -3.643 2.393 -2.034 1.00 3.54 H new ATOM 0 HD12 LEU A 34 -2.234 1.568 -2.743 1.00 3.54 H new ATOM 0 HD13 LEU A 34 -2.198 2.086 -1.041 1.00 3.54 H new ATOM 0 HD21 LEU A 34 -3.592 4.799 -1.577 1.00 2.14 H new ATOM 0 HD22 LEU A 34 -2.156 4.633 -0.539 1.00 2.14 H new ATOM 0 HD23 LEU A 34 -2.133 5.761 -1.915 1.00 2.14 H new ATOM 551 N THR A 35 -0.070 6.847 -1.313 1.00 32.25 N ATOM 552 CA THR A 35 0.060 7.597 -0.056 1.00 20.12 C ATOM 553 C THR A 35 -0.952 7.099 0.982 1.00 54.31 C ATOM 554 O THR A 35 -2.153 7.074 0.716 1.00 64.33 O ATOM 555 CB THR A 35 -0.167 9.119 -0.258 1.00 4.55 C ATOM 556 OG1 THR A 35 0.805 9.656 -1.169 1.00 32.53 O ATOM 557 CG2 THR A 35 -0.084 9.871 1.065 1.00 12.41 C ATOM 0 H THR A 35 -0.717 7.260 -1.985 1.00 32.25 H new ATOM 0 HA THR A 35 1.079 7.432 0.295 1.00 20.12 H new ATOM 0 HB THR A 35 -1.167 9.248 -0.673 1.00 4.55 H new ATOM 0 HG1 THR A 35 0.647 10.616 -1.287 1.00 32.53 H new ATOM 0 HG21 THR A 35 -0.247 10.934 0.890 1.00 12.41 H new ATOM 0 HG22 THR A 35 -0.847 9.494 1.746 1.00 12.41 H new ATOM 0 HG23 THR A 35 0.902 9.723 1.506 1.00 12.41 H new ATOM 565 N PHE A 36 -0.467 6.696 2.157 1.00 53.44 N ATOM 566 CA PHE A 36 -1.349 6.285 3.258 1.00 32.04 C ATOM 567 C PHE A 36 -0.593 6.189 4.590 1.00 73.22 C ATOM 568 O PHE A 36 0.635 6.307 4.635 1.00 10.33 O ATOM 569 CB PHE A 36 -2.049 4.954 2.942 1.00 4.43 C ATOM 570 CG PHE A 36 -1.115 3.805 2.648 1.00 41.23 C ATOM 571 CD1 PHE A 36 -0.630 3.596 1.364 1.00 3.42 C ATOM 572 CD2 PHE A 36 -0.736 2.922 3.650 1.00 42.25 C ATOM 573 CE1 PHE A 36 0.208 2.537 1.085 1.00 11.21 C ATOM 574 CE2 PHE A 36 0.103 1.860 3.372 1.00 34.34 C ATOM 575 CZ PHE A 36 0.573 1.667 2.089 1.00 43.50 C ATOM 0 H PHE A 36 0.528 6.644 2.374 1.00 53.44 H new ATOM 0 HA PHE A 36 -2.109 7.059 3.362 1.00 32.04 H new ATOM 0 HB2 PHE A 36 -2.682 4.683 3.787 1.00 4.43 H new ATOM 0 HB3 PHE A 36 -2.706 5.099 2.084 1.00 4.43 H new ATOM 0 HD1 PHE A 36 -0.913 4.273 0.572 1.00 3.42 H new ATOM 0 HD2 PHE A 36 -1.100 3.067 4.656 1.00 42.25 H new ATOM 0 HE1 PHE A 36 0.578 2.390 0.081 1.00 11.21 H new ATOM 0 HE2 PHE A 36 0.391 1.180 4.160 1.00 34.34 H new ATOM 0 HZ PHE A 36 1.226 0.835 1.872 1.00 43.50 H new ATOM 585 N LYS A 37 -1.330 5.972 5.678 1.00 35.44 N ATOM 586 CA LYS A 37 -0.738 5.957 7.021 1.00 31.21 C ATOM 587 C LYS A 37 -0.876 4.588 7.705 1.00 1.50 C ATOM 588 O LYS A 37 -1.759 3.792 7.376 1.00 33.45 O ATOM 589 CB LYS A 37 -1.383 7.049 7.887 1.00 1.33 C ATOM 590 CG LYS A 37 -1.265 8.449 7.290 1.00 73.11 C ATOM 591 CD LYS A 37 0.192 8.881 7.127 1.00 30.23 C ATOM 592 CE LYS A 37 0.320 10.153 6.294 1.00 73.31 C ATOM 593 NZ LYS A 37 -0.438 11.289 6.874 1.00 12.31 N ATOM 0 H LYS A 37 -2.336 5.804 5.660 1.00 35.44 H new ATOM 0 HA LYS A 37 0.328 6.155 6.911 1.00 31.21 H new ATOM 0 HB2 LYS A 37 -2.437 6.812 8.031 1.00 1.33 H new ATOM 0 HB3 LYS A 37 -0.917 7.042 8.872 1.00 1.33 H new ATOM 0 HG2 LYS A 37 -1.761 8.472 6.320 1.00 73.11 H new ATOM 0 HG3 LYS A 37 -1.785 9.161 7.931 1.00 73.11 H new ATOM 0 HD2 LYS A 37 0.634 9.045 8.110 1.00 30.23 H new ATOM 0 HD3 LYS A 37 0.757 8.079 6.653 1.00 30.23 H new ATOM 0 HE2 LYS A 37 1.372 10.426 6.212 1.00 73.31 H new ATOM 0 HE3 LYS A 37 -0.038 9.959 5.283 1.00 73.31 H new ATOM 0 HZ1 LYS A 37 -0.212 12.160 6.352 1.00 12.31 H new ATOM 0 HZ2 LYS A 37 -1.458 11.098 6.804 1.00 12.31 H new ATOM 0 HZ3 LYS A 37 -0.176 11.407 7.873 1.00 12.31 H new ATOM 607 N ALA A 38 0.008 4.329 8.667 1.00 22.12 N ATOM 608 CA ALA A 38 0.001 3.068 9.410 1.00 35.33 C ATOM 609 C ALA A 38 -1.321 2.863 10.164 1.00 61.33 C ATOM 610 O ALA A 38 -1.793 3.752 10.874 1.00 12.31 O ATOM 611 CB ALA A 38 1.176 3.028 10.377 1.00 34.30 C ATOM 0 H ALA A 38 0.741 4.978 8.952 1.00 22.12 H new ATOM 0 HA ALA A 38 0.099 2.254 8.692 1.00 35.33 H new ATOM 0 HB1 ALA A 38 1.164 2.086 10.926 1.00 34.30 H new ATOM 0 HB2 ALA A 38 2.109 3.111 9.820 1.00 34.30 H new ATOM 0 HB3 ALA A 38 1.098 3.858 11.079 1.00 34.30 H new ATOM 617 N GLY A 39 -1.915 1.684 10.011 1.00 54.14 N ATOM 618 CA GLY A 39 -3.189 1.398 10.664 1.00 70.15 C ATOM 619 C GLY A 39 -4.361 1.284 9.692 1.00 23.24 C ATOM 620 O GLY A 39 -5.409 0.735 10.042 1.00 21.42 O ATOM 0 H GLY A 39 -1.541 0.920 9.448 1.00 54.14 H new ATOM 0 HA2 GLY A 39 -3.100 0.467 11.224 1.00 70.15 H new ATOM 0 HA3 GLY A 39 -3.402 2.185 11.387 1.00 70.15 H new ATOM 624 N GLU A 40 -4.209 1.826 8.479 1.00 54.02 N ATOM 625 CA GLU A 40 -5.235 1.659 7.438 1.00 61.42 C ATOM 626 C GLU A 40 -5.284 0.206 6.942 1.00 63.13 C ATOM 627 O GLU A 40 -4.247 -0.438 6.752 1.00 12.44 O ATOM 628 CB GLU A 40 -5.003 2.617 6.252 1.00 2.34 C ATOM 629 CG GLU A 40 -5.356 4.072 6.551 1.00 40.03 C ATOM 630 CD GLU A 40 -5.296 4.963 5.315 1.00 11.44 C ATOM 631 OE1 GLU A 40 -6.197 4.848 4.449 1.00 73.35 O ATOM 632 OE2 GLU A 40 -4.350 5.777 5.205 1.00 22.55 O ATOM 0 H GLU A 40 -3.399 2.377 8.194 1.00 54.02 H new ATOM 0 HA GLU A 40 -6.195 1.907 7.890 1.00 61.42 H new ATOM 0 HB2 GLU A 40 -3.956 2.562 5.953 1.00 2.34 H new ATOM 0 HB3 GLU A 40 -5.595 2.277 5.402 1.00 2.34 H new ATOM 0 HG2 GLU A 40 -6.358 4.117 6.977 1.00 40.03 H new ATOM 0 HG3 GLU A 40 -4.671 4.459 7.305 1.00 40.03 H new ATOM 639 N ILE A 41 -6.497 -0.305 6.752 1.00 22.24 N ATOM 640 CA ILE A 41 -6.704 -1.668 6.259 1.00 24.03 C ATOM 641 C ILE A 41 -6.800 -1.682 4.718 1.00 61.40 C ATOM 642 O ILE A 41 -7.819 -1.304 4.137 1.00 25.24 O ATOM 643 CB ILE A 41 -7.975 -2.295 6.891 1.00 32.14 C ATOM 644 CG1 ILE A 41 -7.901 -2.232 8.428 1.00 74.22 C ATOM 645 CG2 ILE A 41 -8.156 -3.735 6.426 1.00 32.41 C ATOM 646 CD1 ILE A 41 -6.728 -2.990 9.024 1.00 51.12 C ATOM 0 H ILE A 41 -7.360 0.208 6.933 1.00 22.24 H new ATOM 0 HA ILE A 41 -5.844 -2.270 6.554 1.00 24.03 H new ATOM 0 HB ILE A 41 -8.839 -1.718 6.561 1.00 32.14 H new ATOM 0 HG12 ILE A 41 -7.839 -1.188 8.736 1.00 74.22 H new ATOM 0 HG13 ILE A 41 -8.826 -2.632 8.842 1.00 74.22 H new ATOM 0 HG21 ILE A 41 -9.053 -4.154 6.882 1.00 32.41 H new ATOM 0 HG22 ILE A 41 -8.256 -3.757 5.341 1.00 32.41 H new ATOM 0 HG23 ILE A 41 -7.289 -4.325 6.723 1.00 32.41 H new ATOM 0 HD11 ILE A 41 -6.748 -2.896 10.110 1.00 51.12 H new ATOM 0 HD12 ILE A 41 -6.798 -4.043 8.749 1.00 51.12 H new ATOM 0 HD13 ILE A 41 -5.795 -2.576 8.641 1.00 51.12 H new ATOM 658 N ILE A 42 -5.722 -2.127 4.075 1.00 54.15 N ATOM 659 CA ILE A 42 -5.552 -1.995 2.619 1.00 54.31 C ATOM 660 C ILE A 42 -6.061 -3.217 1.839 1.00 21.32 C ATOM 661 O ILE A 42 -5.626 -4.340 2.080 1.00 41.14 O ATOM 662 CB ILE A 42 -4.053 -1.808 2.274 1.00 61.42 C ATOM 663 CG1 ILE A 42 -3.420 -0.751 3.187 1.00 64.52 C ATOM 664 CG2 ILE A 42 -3.880 -1.425 0.804 1.00 22.04 C ATOM 665 CD1 ILE A 42 -1.912 -0.712 3.104 1.00 52.33 C ATOM 0 H ILE A 42 -4.941 -2.588 4.542 1.00 54.15 H new ATOM 0 HA ILE A 42 -6.143 -1.127 2.325 1.00 54.31 H new ATOM 0 HB ILE A 42 -3.542 -2.756 2.440 1.00 61.42 H new ATOM 0 HG12 ILE A 42 -3.816 0.230 2.924 1.00 64.52 H new ATOM 0 HG13 ILE A 42 -3.715 -0.948 4.218 1.00 64.52 H new ATOM 0 HG21 ILE A 42 -2.820 -1.299 0.583 1.00 22.04 H new ATOM 0 HG22 ILE A 42 -4.291 -2.212 0.172 1.00 22.04 H new ATOM 0 HG23 ILE A 42 -4.406 -0.491 0.607 1.00 22.04 H new ATOM 0 HD11 ILE A 42 -1.530 0.058 3.775 1.00 52.33 H new ATOM 0 HD12 ILE A 42 -1.506 -1.681 3.395 1.00 52.33 H new ATOM 0 HD13 ILE A 42 -1.610 -0.485 2.082 1.00 52.33 H new ATOM 677 N THR A 43 -6.966 -2.990 0.889 1.00 1.41 N ATOM 678 CA THR A 43 -7.383 -4.050 -0.044 1.00 23.23 C ATOM 679 C THR A 43 -6.372 -4.179 -1.191 1.00 42.32 C ATOM 680 O THR A 43 -6.262 -3.283 -2.031 1.00 30.14 O ATOM 681 CB THR A 43 -8.785 -3.780 -0.654 1.00 1.41 C ATOM 682 OG1 THR A 43 -9.755 -3.609 0.388 1.00 11.43 O ATOM 683 CG2 THR A 43 -9.219 -4.930 -1.560 1.00 15.33 C ATOM 0 H THR A 43 -7.425 -2.091 0.741 1.00 1.41 H new ATOM 0 HA THR A 43 -7.428 -4.973 0.534 1.00 23.23 H new ATOM 0 HB THR A 43 -8.720 -2.868 -1.248 1.00 1.41 H new ATOM 0 HG1 THR A 43 -10.635 -3.438 -0.009 1.00 11.43 H new ATOM 0 HG21 THR A 43 -10.204 -4.715 -1.974 1.00 15.33 H new ATOM 0 HG22 THR A 43 -8.501 -5.044 -2.372 1.00 15.33 H new ATOM 0 HG23 THR A 43 -9.262 -5.853 -0.981 1.00 15.33 H new ATOM 691 N VAL A 44 -5.615 -5.272 -1.220 1.00 21.14 N ATOM 692 CA VAL A 44 -4.640 -5.487 -2.295 1.00 24.21 C ATOM 693 C VAL A 44 -5.341 -5.914 -3.601 1.00 30.33 C ATOM 694 O VAL A 44 -5.864 -7.023 -3.723 1.00 14.24 O ATOM 695 CB VAL A 44 -3.541 -6.514 -1.897 1.00 33.20 C ATOM 696 CG1 VAL A 44 -4.144 -7.857 -1.502 1.00 11.34 C ATOM 697 CG2 VAL A 44 -2.515 -6.680 -3.022 1.00 15.10 C ATOM 0 H VAL A 44 -5.653 -6.016 -0.523 1.00 21.14 H new ATOM 0 HA VAL A 44 -4.142 -4.533 -2.466 1.00 24.21 H new ATOM 0 HB VAL A 44 -3.024 -6.120 -1.022 1.00 33.20 H new ATOM 0 HG11 VAL A 44 -3.346 -8.548 -1.231 1.00 11.34 H new ATOM 0 HG12 VAL A 44 -4.811 -7.720 -0.651 1.00 11.34 H new ATOM 0 HG13 VAL A 44 -4.707 -8.264 -2.342 1.00 11.34 H new ATOM 0 HG21 VAL A 44 -1.757 -7.403 -2.720 1.00 15.10 H new ATOM 0 HG22 VAL A 44 -3.016 -7.035 -3.922 1.00 15.10 H new ATOM 0 HG23 VAL A 44 -2.040 -5.720 -3.226 1.00 15.10 H new ATOM 707 N LEU A 45 -5.356 -5.000 -4.569 1.00 13.32 N ATOM 708 CA LEU A 45 -6.054 -5.203 -5.845 1.00 61.14 C ATOM 709 C LEU A 45 -5.264 -6.120 -6.791 1.00 31.15 C ATOM 710 O LEU A 45 -5.828 -6.716 -7.712 1.00 72.10 O ATOM 711 CB LEU A 45 -6.297 -3.844 -6.522 1.00 74.53 C ATOM 712 CG LEU A 45 -6.985 -2.785 -5.644 1.00 32.14 C ATOM 713 CD1 LEU A 45 -7.147 -1.470 -6.408 1.00 71.01 C ATOM 714 CD2 LEU A 45 -8.335 -3.292 -5.144 1.00 71.41 C ATOM 0 H LEU A 45 -4.886 -4.098 -4.495 1.00 13.32 H new ATOM 0 HA LEU A 45 -7.006 -5.690 -5.631 1.00 61.14 H new ATOM 0 HB2 LEU A 45 -5.339 -3.447 -6.857 1.00 74.53 H new ATOM 0 HB3 LEU A 45 -6.905 -4.004 -7.413 1.00 74.53 H new ATOM 0 HG LEU A 45 -6.351 -2.597 -4.777 1.00 32.14 H new ATOM 0 HD11 LEU A 45 -7.636 -0.735 -5.768 1.00 71.01 H new ATOM 0 HD12 LEU A 45 -6.166 -1.098 -6.704 1.00 71.01 H new ATOM 0 HD13 LEU A 45 -7.755 -1.638 -7.297 1.00 71.01 H new ATOM 0 HD21 LEU A 45 -8.804 -2.527 -4.525 1.00 71.41 H new ATOM 0 HD22 LEU A 45 -8.978 -3.515 -5.995 1.00 71.41 H new ATOM 0 HD23 LEU A 45 -8.188 -4.197 -4.554 1.00 71.41 H new ATOM 726 N ASP A 46 -3.954 -6.215 -6.568 1.00 34.12 N ATOM 727 CA ASP A 46 -3.087 -7.060 -7.397 1.00 32.42 C ATOM 728 C ASP A 46 -1.804 -7.454 -6.646 1.00 34.42 C ATOM 729 O ASP A 46 -1.072 -6.593 -6.152 1.00 35.30 O ATOM 730 CB ASP A 46 -2.725 -6.336 -8.698 1.00 60.13 C ATOM 731 CG ASP A 46 -1.958 -7.228 -9.658 1.00 11.45 C ATOM 732 OD1 ASP A 46 -0.718 -7.304 -9.553 1.00 13.34 O ATOM 733 OD2 ASP A 46 -2.595 -7.866 -10.522 1.00 11.23 O ATOM 0 H ASP A 46 -3.467 -5.719 -5.821 1.00 34.12 H new ATOM 0 HA ASP A 46 -3.638 -7.971 -7.632 1.00 32.42 H new ATOM 0 HB2 ASP A 46 -3.636 -5.984 -9.181 1.00 60.13 H new ATOM 0 HB3 ASP A 46 -2.126 -5.455 -8.467 1.00 60.13 H new ATOM 738 N ASP A 47 -1.546 -8.758 -6.567 1.00 44.41 N ATOM 739 CA ASP A 47 -0.336 -9.280 -5.921 1.00 74.40 C ATOM 740 C ASP A 47 0.418 -10.243 -6.858 1.00 1.53 C ATOM 741 O ASP A 47 1.227 -11.055 -6.411 1.00 4.30 O ATOM 742 CB ASP A 47 -0.727 -10.002 -4.625 1.00 51.31 C ATOM 743 CG ASP A 47 -1.583 -11.236 -4.880 1.00 4.05 C ATOM 744 OD1 ASP A 47 -2.645 -11.113 -5.527 1.00 51.34 O ATOM 745 OD2 ASP A 47 -1.206 -12.339 -4.428 1.00 31.53 O ATOM 0 H ASP A 47 -2.161 -9.479 -6.944 1.00 44.41 H new ATOM 0 HA ASP A 47 0.328 -8.447 -5.692 1.00 74.40 H new ATOM 0 HB2 ASP A 47 0.176 -10.295 -4.089 1.00 51.31 H new ATOM 0 HB3 ASP A 47 -1.272 -9.313 -3.979 1.00 51.31 H new ATOM 750 N SER A 48 0.167 -10.123 -8.165 1.00 12.22 N ATOM 751 CA SER A 48 0.740 -11.055 -9.157 1.00 72.52 C ATOM 752 C SER A 48 2.276 -10.998 -9.189 1.00 12.02 C ATOM 753 O SER A 48 2.931 -11.893 -9.724 1.00 63.34 O ATOM 754 CB SER A 48 0.171 -10.777 -10.557 1.00 13.00 C ATOM 755 OG SER A 48 0.480 -9.463 -10.998 1.00 64.34 O ATOM 0 H SER A 48 -0.425 -9.396 -8.565 1.00 12.22 H new ATOM 0 HA SER A 48 0.455 -12.061 -8.849 1.00 72.52 H new ATOM 0 HB2 SER A 48 0.574 -11.502 -11.264 1.00 13.00 H new ATOM 0 HB3 SER A 48 -0.911 -10.911 -10.544 1.00 13.00 H new ATOM 0 HG SER A 48 0.015 -8.811 -10.433 1.00 64.34 H new ATOM 761 N ASP A 49 2.842 -9.938 -8.621 1.00 72.15 N ATOM 762 CA ASP A 49 4.292 -9.825 -8.441 1.00 53.34 C ATOM 763 C ASP A 49 4.634 -9.429 -6.996 1.00 63.54 C ATOM 764 O ASP A 49 4.223 -8.370 -6.527 1.00 64.54 O ATOM 765 CB ASP A 49 4.884 -8.794 -9.414 1.00 70.24 C ATOM 766 CG ASP A 49 5.065 -9.350 -10.815 1.00 23.32 C ATOM 767 OD1 ASP A 49 6.050 -10.086 -11.041 1.00 60.20 O ATOM 768 OD2 ASP A 49 4.243 -9.049 -11.701 1.00 3.01 O ATOM 0 H ASP A 49 2.316 -9.136 -8.273 1.00 72.15 H new ATOM 0 HA ASP A 49 4.729 -10.801 -8.652 1.00 53.34 H new ATOM 0 HB2 ASP A 49 4.231 -7.922 -9.455 1.00 70.24 H new ATOM 0 HB3 ASP A 49 5.848 -8.454 -9.035 1.00 70.24 H new ATOM 773 N PRO A 50 5.403 -10.272 -6.271 1.00 33.13 N ATOM 774 CA PRO A 50 5.845 -9.965 -4.898 1.00 35.33 C ATOM 775 C PRO A 50 6.549 -8.603 -4.789 1.00 23.52 C ATOM 776 O PRO A 50 6.562 -7.979 -3.726 1.00 21.10 O ATOM 777 CB PRO A 50 6.830 -11.100 -4.579 1.00 32.03 C ATOM 778 CG PRO A 50 6.413 -12.226 -5.462 1.00 72.11 C ATOM 779 CD PRO A 50 5.889 -11.592 -6.723 1.00 75.13 C ATOM 0 HA PRO A 50 5.002 -9.901 -4.210 1.00 35.33 H new ATOM 0 HB2 PRO A 50 7.858 -10.800 -4.780 1.00 32.03 H new ATOM 0 HB3 PRO A 50 6.781 -11.383 -3.527 1.00 32.03 H new ATOM 0 HG2 PRO A 50 7.254 -12.885 -5.677 1.00 72.11 H new ATOM 0 HG3 PRO A 50 5.646 -12.834 -4.983 1.00 72.11 H new ATOM 0 HD2 PRO A 50 6.670 -11.495 -7.478 1.00 75.13 H new ATOM 0 HD3 PRO A 50 5.088 -12.184 -7.167 1.00 75.13 H new ATOM 787 N ASN A 51 7.139 -8.151 -5.897 1.00 62.14 N ATOM 788 CA ASN A 51 7.859 -6.873 -5.934 1.00 21.35 C ATOM 789 C ASN A 51 6.939 -5.701 -6.319 1.00 44.20 C ATOM 790 O ASN A 51 7.321 -4.541 -6.190 1.00 14.21 O ATOM 791 CB ASN A 51 9.032 -6.960 -6.918 1.00 2.51 C ATOM 792 CG ASN A 51 10.017 -8.052 -6.545 1.00 22.25 C ATOM 793 OD1 ASN A 51 10.960 -7.829 -5.788 1.00 54.34 O ATOM 794 ND2 ASN A 51 9.818 -9.242 -7.073 1.00 51.12 N ATOM 0 H ASN A 51 7.133 -8.652 -6.785 1.00 62.14 H new ATOM 0 HA ASN A 51 8.234 -6.680 -4.929 1.00 21.35 H new ATOM 0 HB2 ASN A 51 8.649 -7.147 -7.921 1.00 2.51 H new ATOM 0 HB3 ASN A 51 9.550 -6.001 -6.948 1.00 2.51 H new ATOM 0 HD21 ASN A 51 10.455 -10.009 -6.857 1.00 51.12 H new ATOM 0 HD22 ASN A 51 9.027 -9.397 -7.698 1.00 51.12 H new ATOM 801 N TRP A 52 5.727 -6.004 -6.784 1.00 53.32 N ATOM 802 CA TRP A 52 4.783 -4.965 -7.226 1.00 2.43 C ATOM 803 C TRP A 52 3.365 -5.217 -6.694 1.00 40.31 C ATOM 804 O TRP A 52 2.559 -5.891 -7.336 1.00 50.21 O ATOM 805 CB TRP A 52 4.761 -4.867 -8.763 1.00 62.01 C ATOM 806 CG TRP A 52 6.075 -4.433 -9.354 1.00 45.53 C ATOM 807 CD1 TRP A 52 7.049 -5.237 -9.874 1.00 13.44 C ATOM 808 CD2 TRP A 52 6.556 -3.088 -9.476 1.00 55.23 C ATOM 809 NE1 TRP A 52 8.102 -4.474 -10.313 1.00 31.55 N ATOM 810 CE2 TRP A 52 7.823 -3.155 -10.083 1.00 21.31 C ATOM 811 CE3 TRP A 52 6.035 -1.836 -9.140 1.00 34.51 C ATOM 812 CZ2 TRP A 52 8.581 -2.016 -10.349 1.00 72.32 C ATOM 813 CZ3 TRP A 52 6.788 -0.706 -9.404 1.00 41.41 C ATOM 814 CH2 TRP A 52 8.047 -0.802 -10.006 1.00 70.04 C ATOM 0 H TRP A 52 5.372 -6.957 -6.866 1.00 53.32 H new ATOM 0 HA TRP A 52 5.131 -4.018 -6.814 1.00 2.43 H new ATOM 0 HB2 TRP A 52 4.488 -5.837 -9.177 1.00 62.01 H new ATOM 0 HB3 TRP A 52 3.986 -4.162 -9.063 1.00 62.01 H new ATOM 0 HD1 TRP A 52 6.998 -6.314 -9.931 1.00 13.44 H new ATOM 0 HE1 TRP A 52 8.955 -4.833 -10.742 1.00 31.55 H new ATOM 0 HE3 TRP A 52 5.061 -1.752 -8.682 1.00 34.51 H new ATOM 0 HZ2 TRP A 52 9.555 -2.088 -10.809 1.00 72.32 H new ATOM 0 HZ3 TRP A 52 6.398 0.266 -9.141 1.00 41.41 H new ATOM 0 HH2 TRP A 52 8.609 0.099 -10.204 1.00 70.04 H new ATOM 825 N TRP A 53 3.082 -4.685 -5.509 1.00 22.35 N ATOM 826 CA TRP A 53 1.744 -4.777 -4.904 1.00 71.13 C ATOM 827 C TRP A 53 0.890 -3.536 -5.221 1.00 23.03 C ATOM 828 O TRP A 53 1.323 -2.400 -5.006 1.00 21.30 O ATOM 829 CB TRP A 53 1.854 -4.933 -3.378 1.00 42.42 C ATOM 830 CG TRP A 53 2.192 -6.320 -2.909 1.00 71.33 C ATOM 831 CD1 TRP A 53 3.080 -7.194 -3.471 1.00 41.33 C ATOM 832 CD2 TRP A 53 1.650 -6.980 -1.757 1.00 64.42 C ATOM 833 NE1 TRP A 53 3.112 -8.361 -2.743 1.00 52.14 N ATOM 834 CE2 TRP A 53 2.244 -8.252 -1.685 1.00 34.53 C ATOM 835 CE3 TRP A 53 0.715 -6.617 -0.779 1.00 52.11 C ATOM 836 CZ2 TRP A 53 1.935 -9.161 -0.677 1.00 63.34 C ATOM 837 CZ3 TRP A 53 0.409 -7.520 0.221 1.00 12.21 C ATOM 838 CH2 TRP A 53 1.019 -8.780 0.267 1.00 42.43 C ATOM 0 H TRP A 53 3.762 -4.181 -4.940 1.00 22.35 H new ATOM 0 HA TRP A 53 1.257 -5.653 -5.332 1.00 71.13 H new ATOM 0 HB2 TRP A 53 2.615 -4.245 -3.011 1.00 42.42 H new ATOM 0 HB3 TRP A 53 0.908 -4.633 -2.927 1.00 42.42 H new ATOM 0 HD1 TRP A 53 3.669 -6.998 -4.355 1.00 41.33 H new ATOM 0 HE1 TRP A 53 3.688 -9.176 -2.955 1.00 52.14 H new ATOM 0 HE3 TRP A 53 0.241 -5.647 -0.806 1.00 52.11 H new ATOM 0 HZ2 TRP A 53 2.402 -10.134 -0.641 1.00 63.34 H new ATOM 0 HZ3 TRP A 53 -0.312 -7.250 0.979 1.00 12.21 H new ATOM 0 HH2 TRP A 53 0.762 -9.464 1.062 1.00 42.43 H new ATOM 849 N LYS A 54 -0.322 -3.760 -5.726 1.00 10.52 N ATOM 850 CA LYS A 54 -1.288 -2.674 -5.955 1.00 72.14 C ATOM 851 C LYS A 54 -2.417 -2.746 -4.915 1.00 54.42 C ATOM 852 O LYS A 54 -3.039 -3.794 -4.745 1.00 2.03 O ATOM 853 CB LYS A 54 -1.882 -2.768 -7.368 1.00 14.14 C ATOM 854 CG LYS A 54 -2.725 -1.556 -7.763 1.00 65.34 C ATOM 855 CD LYS A 54 -3.498 -1.802 -9.057 1.00 64.41 C ATOM 856 CE LYS A 54 -4.280 -0.567 -9.497 1.00 30.03 C ATOM 857 NZ LYS A 54 -3.396 0.487 -10.061 1.00 52.14 N ATOM 0 H LYS A 54 -0.664 -4.685 -5.987 1.00 10.52 H new ATOM 0 HA LYS A 54 -0.765 -1.723 -5.856 1.00 72.14 H new ATOM 0 HB2 LYS A 54 -1.071 -2.885 -8.086 1.00 14.14 H new ATOM 0 HB3 LYS A 54 -2.498 -3.665 -7.435 1.00 14.14 H new ATOM 0 HG2 LYS A 54 -3.424 -1.322 -6.960 1.00 65.34 H new ATOM 0 HG3 LYS A 54 -2.078 -0.687 -7.885 1.00 65.34 H new ATOM 0 HD2 LYS A 54 -2.803 -2.092 -9.845 1.00 64.41 H new ATOM 0 HD3 LYS A 54 -4.186 -2.636 -8.916 1.00 64.41 H new ATOM 0 HE2 LYS A 54 -5.021 -0.855 -10.243 1.00 30.03 H new ATOM 0 HE3 LYS A 54 -4.826 -0.163 -8.645 1.00 30.03 H new ATOM 0 HZ1 LYS A 54 -3.972 1.299 -10.362 1.00 52.14 H new ATOM 0 HZ2 LYS A 54 -2.716 0.794 -9.336 1.00 52.14 H new ATOM 0 HZ3 LYS A 54 -2.881 0.106 -10.880 1.00 52.14 H new ATOM 871 N GLY A 55 -2.688 -1.635 -4.228 1.00 54.54 N ATOM 872 CA GLY A 55 -3.678 -1.654 -3.153 1.00 61.23 C ATOM 873 C GLY A 55 -4.625 -0.457 -3.147 1.00 23.34 C ATOM 874 O GLY A 55 -4.436 0.511 -3.885 1.00 32.21 O ATOM 0 H GLY A 55 -2.247 -0.730 -4.392 1.00 54.54 H new ATOM 0 HA2 GLY A 55 -4.267 -2.568 -3.234 1.00 61.23 H new ATOM 0 HA3 GLY A 55 -3.157 -1.695 -2.196 1.00 61.23 H new ATOM 878 N GLU A 56 -5.650 -0.541 -2.301 1.00 24.32 N ATOM 879 CA GLU A 56 -6.638 0.532 -2.136 1.00 1.10 C ATOM 880 C GLU A 56 -6.690 1.014 -0.676 1.00 41.10 C ATOM 881 O GLU A 56 -6.865 0.211 0.244 1.00 42.03 O ATOM 882 CB GLU A 56 -8.029 0.026 -2.555 1.00 53.31 C ATOM 883 CG GLU A 56 -9.153 1.035 -2.333 1.00 10.13 C ATOM 884 CD GLU A 56 -10.538 0.432 -2.525 1.00 55.44 C ATOM 885 OE1 GLU A 56 -11.108 -0.080 -1.538 1.00 42.05 O ATOM 886 OE2 GLU A 56 -11.065 0.475 -3.660 1.00 20.24 O ATOM 0 H GLU A 56 -5.822 -1.354 -1.709 1.00 24.32 H new ATOM 0 HA GLU A 56 -6.341 1.369 -2.768 1.00 1.10 H new ATOM 0 HB2 GLU A 56 -8.002 -0.245 -3.610 1.00 53.31 H new ATOM 0 HB3 GLU A 56 -8.256 -0.883 -1.998 1.00 53.31 H new ATOM 0 HG2 GLU A 56 -9.076 1.441 -1.324 1.00 10.13 H new ATOM 0 HG3 GLU A 56 -9.027 1.869 -3.023 1.00 10.13 H new ATOM 893 N THR A 57 -6.540 2.321 -0.465 1.00 21.23 N ATOM 894 CA THR A 57 -6.661 2.915 0.877 1.00 33.23 C ATOM 895 C THR A 57 -7.682 4.055 0.869 1.00 3.31 C ATOM 896 O THR A 57 -8.258 4.377 -0.169 1.00 71.34 O ATOM 897 CB THR A 57 -5.312 3.476 1.390 1.00 32.23 C ATOM 898 OG1 THR A 57 -4.940 4.638 0.631 1.00 13.42 O ATOM 899 CG2 THR A 57 -4.207 2.425 1.300 1.00 63.04 C ATOM 0 H THR A 57 -6.334 2.994 -1.203 1.00 21.23 H new ATOM 0 HA THR A 57 -6.986 2.115 1.542 1.00 33.23 H new ATOM 0 HB THR A 57 -5.439 3.751 2.437 1.00 32.23 H new ATOM 0 HG1 THR A 57 -5.285 4.556 -0.283 1.00 13.42 H new ATOM 0 HG21 THR A 57 -3.272 2.848 1.667 1.00 63.04 H new ATOM 0 HG22 THR A 57 -4.477 1.560 1.906 1.00 63.04 H new ATOM 0 HG23 THR A 57 -4.083 2.116 0.262 1.00 63.04 H new ATOM 907 N HIS A 58 -7.900 4.679 2.027 1.00 32.31 N ATOM 908 CA HIS A 58 -8.814 5.821 2.117 1.00 50.33 C ATOM 909 C HIS A 58 -8.075 7.137 1.824 1.00 51.21 C ATOM 910 O HIS A 58 -8.673 8.214 1.815 1.00 43.02 O ATOM 911 CB HIS A 58 -9.478 5.865 3.497 1.00 62.14 C ATOM 912 CG HIS A 58 -10.353 4.677 3.764 1.00 34.21 C ATOM 913 ND1 HIS A 58 -10.106 3.757 4.764 1.00 12.34 N ATOM 914 CD2 HIS A 58 -11.485 4.257 3.147 1.00 3.43 C ATOM 915 CE1 HIS A 58 -11.042 2.828 4.747 1.00 1.50 C ATOM 916 NE2 HIS A 58 -11.888 3.107 3.778 1.00 33.44 N ATOM 0 H HIS A 58 -7.461 4.417 2.910 1.00 32.31 H new ATOM 0 HA HIS A 58 -9.593 5.699 1.364 1.00 50.33 H new ATOM 0 HB2 HIS A 58 -8.706 5.920 4.264 1.00 62.14 H new ATOM 0 HB3 HIS A 58 -10.074 6.774 3.579 1.00 62.14 H new ATOM 0 HD2 HIS A 58 -11.977 4.738 2.315 1.00 3.43 H new ATOM 0 HE1 HIS A 58 -11.104 1.982 5.415 1.00 1.50 H new ATOM 0 HE2 HIS A 58 -12.712 2.556 3.535 1.00 33.44 H new ATOM 925 N GLN A 59 -6.769 7.039 1.595 1.00 64.34 N ATOM 926 CA GLN A 59 -5.954 8.193 1.207 1.00 10.13 C ATOM 927 C GLN A 59 -5.641 8.157 -0.307 1.00 61.33 C ATOM 928 O GLN A 59 -5.097 9.114 -0.865 1.00 51.23 O ATOM 929 CB GLN A 59 -4.660 8.215 2.040 1.00 33.43 C ATOM 930 CG GLN A 59 -3.830 9.492 1.895 1.00 3.24 C ATOM 931 CD GLN A 59 -4.548 10.743 2.388 1.00 45.24 C ATOM 932 OE1 GLN A 59 -5.390 10.689 3.281 1.00 11.43 O ATOM 933 NE2 GLN A 59 -4.206 11.884 1.825 1.00 13.51 N ATOM 0 H GLN A 59 -6.246 6.167 1.671 1.00 64.34 H new ATOM 0 HA GLN A 59 -6.513 9.107 1.406 1.00 10.13 H new ATOM 0 HB2 GLN A 59 -4.918 8.082 3.091 1.00 33.43 H new ATOM 0 HB3 GLN A 59 -4.044 7.363 1.753 1.00 33.43 H new ATOM 0 HG2 GLN A 59 -2.898 9.375 2.449 1.00 3.24 H new ATOM 0 HG3 GLN A 59 -3.563 9.625 0.847 1.00 3.24 H new ATOM 0 HE21 GLN A 59 -3.503 11.897 1.086 1.00 13.51 H new ATOM 0 HE22 GLN A 59 -4.644 12.754 2.129 1.00 13.51 H new ATOM 942 N GLY A 60 -5.981 7.042 -0.965 1.00 52.44 N ATOM 943 CA GLY A 60 -5.818 6.938 -2.416 1.00 64.12 C ATOM 944 C GLY A 60 -5.637 5.504 -2.922 1.00 51.41 C ATOM 945 O GLY A 60 -5.872 4.538 -2.191 1.00 5.24 O ATOM 0 H GLY A 60 -6.366 6.209 -0.520 1.00 52.44 H new ATOM 0 HA2 GLY A 60 -6.690 7.376 -2.901 1.00 64.12 H new ATOM 0 HA3 GLY A 60 -4.954 7.530 -2.718 1.00 64.12 H new ATOM 949 N ILE A 61 -5.225 5.368 -4.187 1.00 15.25 N ATOM 950 CA ILE A 61 -4.972 4.055 -4.808 1.00 33.15 C ATOM 951 C ILE A 61 -3.663 4.074 -5.626 1.00 65.14 C ATOM 952 O ILE A 61 -3.400 5.014 -6.385 1.00 31.34 O ATOM 953 CB ILE A 61 -6.144 3.619 -5.730 1.00 4.51 C ATOM 954 CG1 ILE A 61 -7.444 3.473 -4.917 1.00 54.01 C ATOM 955 CG2 ILE A 61 -5.809 2.314 -6.459 1.00 60.34 C ATOM 956 CD1 ILE A 61 -8.637 3.024 -5.736 1.00 22.53 C ATOM 0 H ILE A 61 -5.057 6.158 -4.810 1.00 15.25 H new ATOM 0 HA ILE A 61 -4.882 3.335 -3.995 1.00 33.15 H new ATOM 0 HB ILE A 61 -6.294 4.394 -6.481 1.00 4.51 H new ATOM 0 HG12 ILE A 61 -7.278 2.757 -4.112 1.00 54.01 H new ATOM 0 HG13 ILE A 61 -7.677 4.430 -4.449 1.00 54.01 H new ATOM 0 HG21 ILE A 61 -6.645 2.029 -7.098 1.00 60.34 H new ATOM 0 HG22 ILE A 61 -4.917 2.457 -7.070 1.00 60.34 H new ATOM 0 HG23 ILE A 61 -5.626 1.526 -5.729 1.00 60.34 H new ATOM 0 HD11 ILE A 61 -9.512 2.945 -5.091 1.00 22.53 H new ATOM 0 HD12 ILE A 61 -8.831 3.751 -6.524 1.00 22.53 H new ATOM 0 HD13 ILE A 61 -8.427 2.052 -6.182 1.00 22.53 H new ATOM 968 N GLY A 62 -2.845 3.032 -5.472 1.00 51.11 N ATOM 969 CA GLY A 62 -1.556 2.979 -6.160 1.00 53.52 C ATOM 970 C GLY A 62 -0.733 1.741 -5.810 1.00 64.01 C ATOM 971 O GLY A 62 -1.265 0.751 -5.300 1.00 11.43 O ATOM 0 H GLY A 62 -3.049 2.223 -4.885 1.00 51.11 H new ATOM 0 HA2 GLY A 62 -1.726 3.001 -7.236 1.00 53.52 H new ATOM 0 HA3 GLY A 62 -0.982 3.871 -5.909 1.00 53.52 H new ATOM 975 N LEU A 63 0.562 1.805 -6.098 1.00 0.21 N ATOM 976 CA LEU A 63 1.498 0.717 -5.781 1.00 73.33 C ATOM 977 C LEU A 63 2.262 1.016 -4.479 1.00 34.23 C ATOM 978 O LEU A 63 2.351 2.164 -4.055 1.00 15.10 O ATOM 979 CB LEU A 63 2.507 0.539 -6.930 1.00 55.02 C ATOM 980 CG LEU A 63 1.898 0.252 -8.315 1.00 24.34 C ATOM 981 CD1 LEU A 63 2.971 0.292 -9.401 1.00 52.44 C ATOM 982 CD2 LEU A 63 1.180 -1.095 -8.321 1.00 72.23 C ATOM 0 H LEU A 63 0.997 2.606 -6.556 1.00 0.21 H new ATOM 0 HA LEU A 63 0.922 -0.199 -5.651 1.00 73.33 H new ATOM 0 HB2 LEU A 63 3.113 1.442 -7.000 1.00 55.02 H new ATOM 0 HB3 LEU A 63 3.181 -0.278 -6.674 1.00 55.02 H new ATOM 0 HG LEU A 63 1.167 1.032 -8.530 1.00 24.34 H new ATOM 0 HD11 LEU A 63 2.516 0.086 -10.370 1.00 52.44 H new ATOM 0 HD12 LEU A 63 3.433 1.279 -9.419 1.00 52.44 H new ATOM 0 HD13 LEU A 63 3.731 -0.461 -9.190 1.00 52.44 H new ATOM 0 HD21 LEU A 63 0.757 -1.278 -9.309 1.00 72.23 H new ATOM 0 HD22 LEU A 63 1.889 -1.886 -8.078 1.00 72.23 H new ATOM 0 HD23 LEU A 63 0.380 -1.084 -7.581 1.00 72.23 H new ATOM 994 N PHE A 64 2.804 -0.018 -3.844 1.00 44.01 N ATOM 995 CA PHE A 64 3.655 0.171 -2.659 1.00 53.41 C ATOM 996 C PHE A 64 4.729 -0.932 -2.545 1.00 62.52 C ATOM 997 O PHE A 64 4.771 -1.684 -1.568 1.00 12.35 O ATOM 998 CB PHE A 64 2.795 0.264 -1.379 1.00 21.34 C ATOM 999 CG PHE A 64 1.778 -0.847 -1.217 1.00 11.11 C ATOM 1000 CD1 PHE A 64 0.647 -0.896 -2.024 1.00 4.50 C ATOM 1001 CD2 PHE A 64 1.947 -1.831 -0.256 1.00 51.11 C ATOM 1002 CE1 PHE A 64 -0.285 -1.904 -1.879 1.00 34.43 C ATOM 1003 CE2 PHE A 64 1.015 -2.843 -0.109 1.00 72.05 C ATOM 1004 CZ PHE A 64 -0.101 -2.878 -0.921 1.00 21.33 C ATOM 0 H PHE A 64 2.675 -0.991 -4.122 1.00 44.01 H new ATOM 0 HA PHE A 64 4.185 1.116 -2.776 1.00 53.41 H new ATOM 0 HB2 PHE A 64 3.456 0.262 -0.513 1.00 21.34 H new ATOM 0 HB3 PHE A 64 2.272 1.220 -1.378 1.00 21.34 H new ATOM 0 HD1 PHE A 64 0.495 -0.135 -2.775 1.00 4.50 H new ATOM 0 HD2 PHE A 64 2.816 -1.808 0.385 1.00 51.11 H new ATOM 0 HE1 PHE A 64 -1.157 -1.929 -2.515 1.00 34.43 H new ATOM 0 HE2 PHE A 64 1.161 -3.606 0.641 1.00 72.05 H new ATOM 0 HZ PHE A 64 -0.829 -3.667 -0.806 1.00 21.33 H new ATOM 1014 N PRO A 65 5.634 -1.024 -3.548 1.00 73.34 N ATOM 1015 CA PRO A 65 6.723 -2.023 -3.571 1.00 23.24 C ATOM 1016 C PRO A 65 7.723 -1.850 -2.419 1.00 3.15 C ATOM 1017 O PRO A 65 8.465 -2.777 -2.085 1.00 35.22 O ATOM 1018 CB PRO A 65 7.429 -1.761 -4.914 1.00 71.03 C ATOM 1019 CG PRO A 65 6.457 -0.974 -5.724 1.00 75.32 C ATOM 1020 CD PRO A 65 5.674 -0.157 -4.740 1.00 51.52 C ATOM 0 HA PRO A 65 6.330 -3.033 -3.459 1.00 23.24 H new ATOM 0 HB2 PRO A 65 8.358 -1.209 -4.769 1.00 71.03 H new ATOM 0 HB3 PRO A 65 7.688 -2.696 -5.411 1.00 71.03 H new ATOM 0 HG2 PRO A 65 6.972 -0.335 -6.441 1.00 75.32 H new ATOM 0 HG3 PRO A 65 5.802 -1.631 -6.296 1.00 75.32 H new ATOM 0 HD2 PRO A 65 6.159 0.796 -4.530 1.00 51.52 H new ATOM 0 HD3 PRO A 65 4.673 0.069 -5.109 1.00 51.52 H new ATOM 1028 N SER A 66 7.738 -0.657 -1.820 1.00 31.13 N ATOM 1029 CA SER A 66 8.689 -0.320 -0.747 1.00 44.35 C ATOM 1030 C SER A 66 8.611 -1.297 0.441 1.00 11.02 C ATOM 1031 O SER A 66 9.542 -1.379 1.239 1.00 14.31 O ATOM 1032 CB SER A 66 8.438 1.112 -0.256 1.00 70.53 C ATOM 1033 OG SER A 66 8.470 2.040 -1.332 1.00 3.41 O ATOM 0 H SER A 66 7.098 0.101 -2.059 1.00 31.13 H new ATOM 0 HA SER A 66 9.690 -0.402 -1.170 1.00 44.35 H new ATOM 0 HB2 SER A 66 7.470 1.163 0.243 1.00 70.53 H new ATOM 0 HB3 SER A 66 9.192 1.383 0.483 1.00 70.53 H new ATOM 0 HG SER A 66 7.570 2.135 -1.709 1.00 3.41 H new ATOM 1039 N ASN A 67 7.492 -2.018 0.554 1.00 60.11 N ATOM 1040 CA ASN A 67 7.316 -3.047 1.593 1.00 51.21 C ATOM 1041 C ASN A 67 7.385 -2.468 3.021 1.00 74.14 C ATOM 1042 O ASN A 67 8.418 -2.527 3.688 1.00 70.53 O ATOM 1043 CB ASN A 67 8.332 -4.188 1.422 1.00 33.24 C ATOM 1044 CG ASN A 67 8.157 -5.284 2.459 1.00 21.42 C ATOM 1045 OD1 ASN A 67 7.381 -6.214 2.275 1.00 20.12 O ATOM 1046 ND2 ASN A 67 8.864 -5.179 3.565 1.00 23.13 N ATOM 0 H ASN A 67 6.687 -1.910 -0.064 1.00 60.11 H new ATOM 0 HA ASN A 67 6.312 -3.451 1.460 1.00 51.21 H new ATOM 0 HB2 ASN A 67 8.228 -4.616 0.425 1.00 33.24 H new ATOM 0 HB3 ASN A 67 9.342 -3.784 1.492 1.00 33.24 H new ATOM 0 HD21 ASN A 67 8.773 -5.884 4.297 1.00 23.13 H new ATOM 0 HD22 ASN A 67 9.502 -4.393 3.690 1.00 23.13 H new ATOM 1053 N PHE A 68 6.286 -1.865 3.462 1.00 51.15 N ATOM 1054 CA PHE A 68 6.168 -1.355 4.837 1.00 4.32 C ATOM 1055 C PHE A 68 4.810 -1.744 5.448 1.00 74.25 C ATOM 1056 O PHE A 68 4.315 -1.106 6.382 1.00 40.33 O ATOM 1057 CB PHE A 68 6.371 0.169 4.853 1.00 52.00 C ATOM 1058 CG PHE A 68 5.609 0.892 3.778 1.00 5.11 C ATOM 1059 CD1 PHE A 68 4.283 1.239 3.959 1.00 40.21 C ATOM 1060 CD2 PHE A 68 6.222 1.218 2.575 1.00 31.10 C ATOM 1061 CE1 PHE A 68 3.587 1.890 2.967 1.00 42.04 C ATOM 1062 CE2 PHE A 68 5.526 1.872 1.581 1.00 72.33 C ATOM 1063 CZ PHE A 68 4.206 2.209 1.777 1.00 71.32 C ATOM 0 H PHE A 68 5.456 -1.714 2.889 1.00 51.15 H new ATOM 0 HA PHE A 68 6.946 -1.810 5.449 1.00 4.32 H new ATOM 0 HB2 PHE A 68 6.067 0.557 5.825 1.00 52.00 H new ATOM 0 HB3 PHE A 68 7.433 0.386 4.742 1.00 52.00 H new ATOM 0 HD1 PHE A 68 3.789 0.997 4.888 1.00 40.21 H new ATOM 0 HD2 PHE A 68 7.258 0.956 2.416 1.00 31.10 H new ATOM 0 HE1 PHE A 68 2.551 2.152 3.121 1.00 42.04 H new ATOM 0 HE2 PHE A 68 6.015 2.119 0.651 1.00 72.33 H new ATOM 0 HZ PHE A 68 3.657 2.722 1.001 1.00 71.32 H new ATOM 1073 N VAL A 69 4.223 -2.820 4.918 1.00 25.30 N ATOM 1074 CA VAL A 69 2.935 -3.344 5.396 1.00 13.14 C ATOM 1075 C VAL A 69 3.022 -4.863 5.613 1.00 2.32 C ATOM 1076 O VAL A 69 4.020 -5.492 5.250 1.00 54.50 O ATOM 1077 CB VAL A 69 1.787 -3.051 4.387 1.00 31.03 C ATOM 1078 CG1 VAL A 69 1.712 -1.562 4.054 1.00 11.21 C ATOM 1079 CG2 VAL A 69 1.954 -3.882 3.117 1.00 5.33 C ATOM 0 H VAL A 69 4.624 -3.354 4.147 1.00 25.30 H new ATOM 0 HA VAL A 69 2.714 -2.842 6.338 1.00 13.14 H new ATOM 0 HB VAL A 69 0.847 -3.336 4.860 1.00 31.03 H new ATOM 0 HG11 VAL A 69 0.901 -1.388 3.347 1.00 11.21 H new ATOM 0 HG12 VAL A 69 1.527 -0.994 4.966 1.00 11.21 H new ATOM 0 HG13 VAL A 69 2.655 -1.240 3.611 1.00 11.21 H new ATOM 0 HG21 VAL A 69 1.140 -3.660 2.427 1.00 5.33 H new ATOM 0 HG22 VAL A 69 2.906 -3.638 2.645 1.00 5.33 H new ATOM 0 HG23 VAL A 69 1.936 -4.942 3.371 1.00 5.33 H new ATOM 1089 N THR A 70 1.981 -5.454 6.195 1.00 41.20 N ATOM 1090 CA THR A 70 1.942 -6.910 6.390 1.00 41.21 C ATOM 1091 C THR A 70 0.516 -7.421 6.631 1.00 71.20 C ATOM 1092 O THR A 70 -0.420 -6.641 6.822 1.00 43.44 O ATOM 1093 CB THR A 70 2.842 -7.360 7.571 1.00 51.25 C ATOM 1094 OG1 THR A 70 2.828 -8.794 7.685 1.00 32.32 O ATOM 1095 CG2 THR A 70 2.376 -6.737 8.886 1.00 42.41 C ATOM 0 H THR A 70 1.159 -4.957 6.538 1.00 41.20 H new ATOM 0 HA THR A 70 2.322 -7.343 5.465 1.00 41.21 H new ATOM 0 HB THR A 70 3.858 -7.021 7.368 1.00 51.25 H new ATOM 0 HG1 THR A 70 3.400 -9.068 8.432 1.00 32.32 H new ATOM 0 HG21 THR A 70 3.025 -7.070 9.696 1.00 42.41 H new ATOM 0 HG22 THR A 70 2.419 -5.651 8.809 1.00 42.41 H new ATOM 0 HG23 THR A 70 1.351 -7.046 9.092 1.00 42.41 H new ATOM 1103 N ALA A 71 0.360 -8.741 6.621 1.00 32.24 N ATOM 1104 CA ALA A 71 -0.933 -9.375 6.885 1.00 62.41 C ATOM 1105 C ALA A 71 -1.009 -9.844 8.342 1.00 40.34 C ATOM 1106 O ALA A 71 -0.445 -10.880 8.703 1.00 75.20 O ATOM 1107 CB ALA A 71 -1.159 -10.547 5.930 1.00 44.44 C ATOM 0 H ALA A 71 1.117 -9.399 6.432 1.00 32.24 H new ATOM 0 HA ALA A 71 -1.721 -8.640 6.718 1.00 62.41 H new ATOM 0 HB1 ALA A 71 -2.125 -11.007 6.140 1.00 44.44 H new ATOM 0 HB2 ALA A 71 -1.145 -10.186 4.902 1.00 44.44 H new ATOM 0 HB3 ALA A 71 -0.369 -11.285 6.066 1.00 44.44 H new