USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=11 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 Single : A 19 LYS NZ :NH3+ 157:sc= -0.162 (180deg=-0.79) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.973 USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= 0.223 (180deg=0.187) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 48 SER OG : rot -97:sc= 0.171 USER MOD Single : A 51 ASN : amide:sc= 0.415 X(o=0.41,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -114:sc= -0.821 (180deg=-2.72!) USER MOD Single : A 57 THR OG1 : rot 143:sc= 0.229 USER MOD Single : A 58 HIS : no HD1:sc= -0.0011 X(o=-0.0011,f=-0.0011) USER MOD Single : A 59 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.71) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.072) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0145 USER MOD ----------------------------------------------------------------- ATOM 273 N ARG A 18 -7.856 -9.077 -1.364 1.00 14.22 N ATOM 274 CA ARG A 18 -7.365 -9.305 0.002 1.00 72.23 C ATOM 275 C ARG A 18 -6.750 -8.032 0.603 1.00 73.44 C ATOM 276 O ARG A 18 -6.378 -7.107 -0.117 1.00 2.22 O ATOM 277 CB ARG A 18 -6.359 -10.472 0.022 1.00 52.14 C ATOM 278 CG ARG A 18 -5.288 -10.408 -1.067 1.00 11.54 C ATOM 279 CD ARG A 18 -4.469 -11.697 -1.129 1.00 44.23 C ATOM 280 NE ARG A 18 -3.786 -11.864 -2.416 1.00 62.31 N ATOM 281 CZ ARG A 18 -3.352 -13.011 -2.868 1.00 44.41 C ATOM 282 NH1 ARG A 18 -3.430 -14.083 -2.143 1.00 23.25 N ATOM 283 NH2 ARG A 18 -2.836 -13.084 -4.050 1.00 65.14 N ATOM 0 HA ARG A 18 -8.218 -9.574 0.625 1.00 72.23 H new ATOM 0 HB2 ARG A 18 -5.868 -10.495 0.995 1.00 52.14 H new ATOM 0 HB3 ARG A 18 -6.907 -11.409 -0.080 1.00 52.14 H new ATOM 0 HG2 ARG A 18 -5.761 -10.230 -2.033 1.00 11.54 H new ATOM 0 HG3 ARG A 18 -4.625 -9.564 -0.877 1.00 11.54 H new ATOM 0 HD2 ARG A 18 -3.731 -11.694 -0.327 1.00 44.23 H new ATOM 0 HD3 ARG A 18 -5.125 -12.550 -0.956 1.00 44.23 H new ATOM 0 HE ARG A 18 -3.641 -11.035 -2.993 1.00 62.31 H new ATOM 0 HH11 ARG A 18 -3.834 -14.038 -1.207 1.00 23.25 H new ATOM 0 HH12 ARG A 18 -3.087 -14.972 -2.508 1.00 23.25 H new ATOM 0 HH21 ARG A 18 -2.768 -12.247 -4.629 1.00 65.14 H new ATOM 0 HH22 ARG A 18 -2.497 -13.978 -4.404 1.00 65.14 H new ATOM 297 N LYS A 19 -6.656 -7.985 1.929 1.00 34.21 N ATOM 298 CA LYS A 19 -6.287 -6.744 2.626 1.00 54.21 C ATOM 299 C LYS A 19 -5.162 -6.963 3.653 1.00 2.44 C ATOM 300 O LYS A 19 -5.075 -8.017 4.290 1.00 11.41 O ATOM 301 CB LYS A 19 -7.542 -6.164 3.296 1.00 13.22 C ATOM 302 CG LYS A 19 -8.678 -5.924 2.301 1.00 0.43 C ATOM 303 CD LYS A 19 -10.007 -5.605 2.975 1.00 44.12 C ATOM 304 CE LYS A 19 -11.140 -5.568 1.951 1.00 54.44 C ATOM 305 NZ LYS A 19 -11.241 -6.853 1.202 1.00 13.34 N ATOM 0 H LYS A 19 -6.827 -8.781 2.543 1.00 34.21 H new ATOM 0 HA LYS A 19 -5.896 -6.037 1.895 1.00 54.21 H new ATOM 0 HB2 LYS A 19 -7.883 -6.847 4.074 1.00 13.22 H new ATOM 0 HB3 LYS A 19 -7.287 -5.224 3.786 1.00 13.22 H new ATOM 0 HG2 LYS A 19 -8.406 -5.101 1.640 1.00 0.43 H new ATOM 0 HG3 LYS A 19 -8.798 -6.809 1.676 1.00 0.43 H new ATOM 0 HD2 LYS A 19 -10.223 -6.355 3.736 1.00 44.12 H new ATOM 0 HD3 LYS A 19 -9.940 -4.644 3.485 1.00 44.12 H new ATOM 0 HE2 LYS A 19 -12.084 -5.366 2.458 1.00 54.44 H new ATOM 0 HE3 LYS A 19 -10.973 -4.750 1.251 1.00 54.44 H new ATOM 0 HZ1 LYS A 19 -12.203 -6.957 0.820 1.00 13.34 H new ATOM 0 HZ2 LYS A 19 -10.556 -6.854 0.420 1.00 13.34 H new ATOM 0 HZ3 LYS A 19 -11.035 -7.646 1.843 1.00 13.34 H new ATOM 319 N VAL A 20 -4.301 -5.958 3.794 1.00 13.24 N ATOM 320 CA VAL A 20 -3.154 -6.020 4.708 1.00 44.23 C ATOM 321 C VAL A 20 -3.142 -4.832 5.691 1.00 55.33 C ATOM 322 O VAL A 20 -3.677 -3.760 5.400 1.00 12.31 O ATOM 323 CB VAL A 20 -1.818 -6.047 3.919 1.00 14.11 C ATOM 324 CG1 VAL A 20 -1.673 -7.347 3.124 1.00 42.43 C ATOM 325 CG2 VAL A 20 -1.719 -4.839 2.987 1.00 3.24 C ATOM 0 H VAL A 20 -4.375 -5.079 3.282 1.00 13.24 H new ATOM 0 HA VAL A 20 -3.255 -6.942 5.280 1.00 44.23 H new ATOM 0 HB VAL A 20 -1.002 -5.998 4.640 1.00 14.11 H new ATOM 0 HG11 VAL A 20 -0.728 -7.338 2.581 1.00 42.43 H new ATOM 0 HG12 VAL A 20 -1.691 -8.196 3.808 1.00 42.43 H new ATOM 0 HG13 VAL A 20 -2.497 -7.434 2.416 1.00 42.43 H new ATOM 0 HG21 VAL A 20 -0.775 -4.876 2.443 1.00 3.24 H new ATOM 0 HG22 VAL A 20 -2.547 -4.857 2.279 1.00 3.24 H new ATOM 0 HG23 VAL A 20 -1.763 -3.922 3.574 1.00 3.24 H new ATOM 335 N ARG A 21 -2.518 -5.028 6.853 1.00 53.31 N ATOM 336 CA ARG A 21 -2.439 -3.989 7.889 1.00 42.34 C ATOM 337 C ARG A 21 -1.150 -3.157 7.752 1.00 33.10 C ATOM 338 O ARG A 21 -0.057 -3.708 7.612 1.00 45.41 O ATOM 339 CB ARG A 21 -2.488 -4.632 9.286 1.00 53.40 C ATOM 340 CG ARG A 21 -2.636 -3.622 10.423 1.00 73.13 C ATOM 341 CD ARG A 21 -2.414 -4.252 11.798 1.00 0.53 C ATOM 342 NE ARG A 21 -3.292 -5.395 12.054 1.00 53.54 N ATOM 343 CZ ARG A 21 -4.023 -5.531 13.127 1.00 74.15 C ATOM 344 NH1 ARG A 21 -4.096 -4.582 14.001 1.00 63.44 N ATOM 345 NH2 ARG A 21 -4.699 -6.613 13.315 1.00 53.22 N ATOM 0 H ARG A 21 -2.056 -5.902 7.105 1.00 53.31 H new ATOM 0 HA ARG A 21 -3.293 -3.324 7.759 1.00 42.34 H new ATOM 0 HB2 ARG A 21 -3.322 -5.333 9.324 1.00 53.40 H new ATOM 0 HB3 ARG A 21 -1.577 -5.210 9.442 1.00 53.40 H new ATOM 0 HG2 ARG A 21 -1.922 -2.811 10.279 1.00 73.13 H new ATOM 0 HG3 ARG A 21 -3.632 -3.181 10.386 1.00 73.13 H new ATOM 0 HD2 ARG A 21 -1.376 -4.573 11.881 1.00 0.53 H new ATOM 0 HD3 ARG A 21 -2.576 -3.497 12.567 1.00 0.53 H new ATOM 0 HE ARG A 21 -3.335 -6.132 11.350 1.00 53.54 H new ATOM 0 HH11 ARG A 21 -3.579 -3.715 13.856 1.00 63.44 H new ATOM 0 HH12 ARG A 21 -4.671 -4.700 14.835 1.00 63.44 H new ATOM 0 HH21 ARG A 21 -4.663 -7.363 12.625 1.00 53.22 H new ATOM 0 HH22 ARG A 21 -5.270 -6.718 14.154 1.00 53.22 H new ATOM 359 N ALA A 22 -1.282 -1.831 7.793 1.00 34.43 N ATOM 360 CA ALA A 22 -0.125 -0.930 7.718 1.00 4.22 C ATOM 361 C ALA A 22 0.593 -0.803 9.072 1.00 12.11 C ATOM 362 O ALA A 22 -0.024 -0.455 10.081 1.00 64.00 O ATOM 363 CB ALA A 22 -0.563 0.447 7.227 1.00 31.42 C ATOM 0 H ALA A 22 -2.179 -1.353 7.878 1.00 34.43 H new ATOM 0 HA ALA A 22 0.582 -1.362 7.009 1.00 4.22 H new ATOM 0 HB1 ALA A 22 0.303 1.107 7.175 1.00 31.42 H new ATOM 0 HB2 ALA A 22 -1.009 0.355 6.237 1.00 31.42 H new ATOM 0 HB3 ALA A 22 -1.296 0.863 7.918 1.00 31.42 H new ATOM 369 N ILE A 23 1.896 -1.089 9.092 1.00 31.54 N ATOM 370 CA ILE A 23 2.708 -0.937 10.309 1.00 24.44 C ATOM 371 C ILE A 23 3.659 0.269 10.207 1.00 41.45 C ATOM 372 O ILE A 23 3.977 0.910 11.210 1.00 3.42 O ATOM 373 CB ILE A 23 3.520 -2.221 10.621 1.00 5.22 C ATOM 374 CG1 ILE A 23 4.375 -2.630 9.409 1.00 75.45 C ATOM 375 CG2 ILE A 23 2.585 -3.359 11.032 1.00 2.43 C ATOM 376 CD1 ILE A 23 5.232 -3.857 9.643 1.00 12.42 C ATOM 0 H ILE A 23 2.415 -1.427 8.282 1.00 31.54 H new ATOM 0 HA ILE A 23 2.011 -0.762 11.128 1.00 24.44 H new ATOM 0 HB ILE A 23 4.190 -2.010 11.454 1.00 5.22 H new ATOM 0 HG12 ILE A 23 3.717 -2.816 8.560 1.00 75.45 H new ATOM 0 HG13 ILE A 23 5.021 -1.796 9.135 1.00 75.45 H new ATOM 0 HG21 ILE A 23 3.172 -4.252 11.247 1.00 2.43 H new ATOM 0 HG22 ILE A 23 2.027 -3.068 11.922 1.00 2.43 H new ATOM 0 HG23 ILE A 23 1.889 -3.569 10.220 1.00 2.43 H new ATOM 0 HD11 ILE A 23 5.803 -4.079 8.742 1.00 12.42 H new ATOM 0 HD12 ILE A 23 5.917 -3.670 10.470 1.00 12.42 H new ATOM 0 HD13 ILE A 23 4.593 -4.706 9.886 1.00 12.42 H new ATOM 388 N TYR A 24 4.120 0.573 8.992 1.00 55.34 N ATOM 389 CA TYR A 24 4.942 1.766 8.748 1.00 51.21 C ATOM 390 C TYR A 24 4.283 2.668 7.699 1.00 65.54 C ATOM 391 O TYR A 24 3.620 2.182 6.782 1.00 12.41 O ATOM 392 CB TYR A 24 6.351 1.366 8.290 1.00 21.21 C ATOM 393 CG TYR A 24 7.087 0.482 9.282 1.00 41.54 C ATOM 394 CD1 TYR A 24 7.349 0.926 10.574 1.00 30.31 C ATOM 395 CD2 TYR A 24 7.515 -0.793 8.930 1.00 24.35 C ATOM 396 CE1 TYR A 24 8.012 0.124 11.483 1.00 30.30 C ATOM 397 CE2 TYR A 24 8.178 -1.599 9.835 1.00 71.12 C ATOM 398 CZ TYR A 24 8.427 -1.136 11.109 1.00 74.23 C ATOM 399 OH TYR A 24 9.092 -1.934 12.012 1.00 32.33 O ATOM 0 H TYR A 24 3.940 0.011 8.160 1.00 55.34 H new ATOM 0 HA TYR A 24 5.024 2.320 9.683 1.00 51.21 H new ATOM 0 HB2 TYR A 24 6.279 0.844 7.336 1.00 21.21 H new ATOM 0 HB3 TYR A 24 6.937 2.269 8.116 1.00 21.21 H new ATOM 0 HD1 TYR A 24 7.029 1.914 10.871 1.00 30.31 H new ATOM 0 HD2 TYR A 24 7.326 -1.160 7.932 1.00 24.35 H new ATOM 0 HE1 TYR A 24 8.204 0.483 12.483 1.00 30.30 H new ATOM 0 HE2 TYR A 24 8.500 -2.588 9.545 1.00 71.12 H new ATOM 0 HH TYR A 24 9.314 -2.790 11.590 1.00 32.33 H new ATOM 409 N ASP A 25 4.465 3.981 7.830 1.00 15.15 N ATOM 410 CA ASP A 25 3.811 4.937 6.932 1.00 22.23 C ATOM 411 C ASP A 25 4.711 5.338 5.758 1.00 34.32 C ATOM 412 O ASP A 25 5.941 5.320 5.859 1.00 44.33 O ATOM 413 CB ASP A 25 3.371 6.174 7.718 1.00 11.21 C ATOM 414 CG ASP A 25 4.522 7.060 8.160 1.00 23.42 C ATOM 415 OD1 ASP A 25 5.362 6.601 8.959 1.00 20.21 O ATOM 416 OD2 ASP A 25 4.569 8.234 7.731 1.00 21.35 O ATOM 0 H ASP A 25 5.056 4.407 8.544 1.00 15.15 H new ATOM 0 HA ASP A 25 2.935 4.446 6.509 1.00 22.23 H new ATOM 0 HB2 ASP A 25 2.689 6.760 7.103 1.00 11.21 H new ATOM 0 HB3 ASP A 25 2.812 5.854 8.598 1.00 11.21 H new ATOM 421 N PHE A 26 4.086 5.713 4.647 1.00 13.51 N ATOM 422 CA PHE A 26 4.813 6.103 3.438 1.00 14.43 C ATOM 423 C PHE A 26 3.957 7.027 2.562 1.00 23.22 C ATOM 424 O PHE A 26 2.736 6.870 2.480 1.00 33.12 O ATOM 425 CB PHE A 26 5.232 4.852 2.652 1.00 41.51 C ATOM 426 CG PHE A 26 6.134 5.131 1.472 1.00 51.21 C ATOM 427 CD1 PHE A 26 7.505 5.252 1.650 1.00 53.44 C ATOM 428 CD2 PHE A 26 5.616 5.268 0.189 1.00 23.43 C ATOM 429 CE1 PHE A 26 8.339 5.504 0.580 1.00 53.24 C ATOM 430 CE2 PHE A 26 6.449 5.520 -0.884 1.00 23.34 C ATOM 431 CZ PHE A 26 7.810 5.639 -0.689 1.00 12.43 C ATOM 0 H PHE A 26 3.071 5.756 4.556 1.00 13.51 H new ATOM 0 HA PHE A 26 5.708 6.651 3.732 1.00 14.43 H new ATOM 0 HB2 PHE A 26 5.741 4.166 3.329 1.00 41.51 H new ATOM 0 HB3 PHE A 26 4.336 4.343 2.297 1.00 41.51 H new ATOM 0 HD1 PHE A 26 7.925 5.147 2.640 1.00 53.44 H new ATOM 0 HD2 PHE A 26 4.552 5.177 0.030 1.00 23.43 H new ATOM 0 HE1 PHE A 26 9.404 5.596 0.734 1.00 53.24 H new ATOM 0 HE2 PHE A 26 6.035 5.624 -1.876 1.00 23.34 H new ATOM 0 HZ PHE A 26 8.461 5.837 -1.528 1.00 12.43 H new ATOM 441 N GLU A 27 4.601 7.997 1.916 1.00 60.42 N ATOM 442 CA GLU A 27 3.897 8.957 1.057 1.00 13.02 C ATOM 443 C GLU A 27 4.377 8.865 -0.399 1.00 14.11 C ATOM 444 O GLU A 27 5.573 8.729 -0.671 1.00 2.22 O ATOM 445 CB GLU A 27 4.076 10.380 1.601 1.00 14.23 C ATOM 446 CG GLU A 27 3.527 10.548 3.015 1.00 53.42 C ATOM 447 CD GLU A 27 3.690 11.959 3.553 1.00 43.53 C ATOM 448 OE1 GLU A 27 4.794 12.297 4.018 1.00 0.11 O ATOM 449 OE2 GLU A 27 2.706 12.731 3.532 1.00 55.32 O ATOM 0 H GLU A 27 5.609 8.142 1.969 1.00 60.42 H new ATOM 0 HA GLU A 27 2.836 8.707 1.067 1.00 13.02 H new ATOM 0 HB2 GLU A 27 5.136 10.635 1.595 1.00 14.23 H new ATOM 0 HB3 GLU A 27 3.575 11.084 0.936 1.00 14.23 H new ATOM 0 HG2 GLU A 27 2.470 10.283 3.022 1.00 53.42 H new ATOM 0 HG3 GLU A 27 4.035 9.851 3.681 1.00 53.42 H new ATOM 456 N ALA A 28 3.428 8.948 -1.324 1.00 1.42 N ATOM 457 CA ALA A 28 3.696 8.765 -2.752 1.00 62.22 C ATOM 458 C ALA A 28 4.567 9.884 -3.345 1.00 61.20 C ATOM 459 O ALA A 28 4.114 11.017 -3.513 1.00 23.21 O ATOM 460 CB ALA A 28 2.379 8.674 -3.519 1.00 75.33 C ATOM 0 H ALA A 28 2.450 9.144 -1.109 1.00 1.42 H new ATOM 0 HA ALA A 28 4.257 7.836 -2.854 1.00 62.22 H new ATOM 0 HB1 ALA A 28 2.585 8.538 -4.581 1.00 75.33 H new ATOM 0 HB2 ALA A 28 1.801 7.827 -3.150 1.00 75.33 H new ATOM 0 HB3 ALA A 28 1.810 9.592 -3.375 1.00 75.33 H new ATOM 466 N ALA A 29 5.816 9.556 -3.663 1.00 31.02 N ATOM 467 CA ALA A 29 6.697 10.482 -4.378 1.00 20.21 C ATOM 468 C ALA A 29 6.238 10.635 -5.836 1.00 20.54 C ATOM 469 O ALA A 29 6.097 11.746 -6.352 1.00 52.15 O ATOM 470 CB ALA A 29 8.138 9.991 -4.317 1.00 42.53 C ATOM 0 H ALA A 29 6.243 8.657 -3.438 1.00 31.02 H new ATOM 0 HA ALA A 29 6.645 11.459 -3.897 1.00 20.21 H new ATOM 0 HB1 ALA A 29 8.783 10.688 -4.852 1.00 42.53 H new ATOM 0 HB2 ALA A 29 8.457 9.927 -3.277 1.00 42.53 H new ATOM 0 HB3 ALA A 29 8.207 9.006 -4.778 1.00 42.53 H new ATOM 476 N GLU A 30 5.994 9.500 -6.487 1.00 34.02 N ATOM 477 CA GLU A 30 5.455 9.470 -7.852 1.00 23.12 C ATOM 478 C GLU A 30 3.968 9.089 -7.849 1.00 51.31 C ATOM 479 O GLU A 30 3.399 8.766 -6.807 1.00 23.21 O ATOM 480 CB GLU A 30 6.241 8.464 -8.710 1.00 31.12 C ATOM 481 CG GLU A 30 7.694 8.856 -8.966 1.00 52.42 C ATOM 482 CD GLU A 30 7.824 10.061 -9.884 1.00 32.44 C ATOM 483 OE1 GLU A 30 7.578 9.915 -11.101 1.00 22.01 O ATOM 484 OE2 GLU A 30 8.173 11.158 -9.401 1.00 32.31 O ATOM 0 H GLU A 30 6.162 8.576 -6.088 1.00 34.02 H new ATOM 0 HA GLU A 30 5.558 10.469 -8.276 1.00 23.12 H new ATOM 0 HB2 GLU A 30 6.221 7.491 -8.218 1.00 31.12 H new ATOM 0 HB3 GLU A 30 5.734 8.348 -9.668 1.00 31.12 H new ATOM 0 HG2 GLU A 30 8.180 9.075 -8.015 1.00 52.42 H new ATOM 0 HG3 GLU A 30 8.222 8.010 -9.407 1.00 52.42 H new ATOM 491 N ASP A 31 3.344 9.113 -9.026 1.00 74.25 N ATOM 492 CA ASP A 31 1.937 8.706 -9.171 1.00 4.24 C ATOM 493 C ASP A 31 1.755 7.179 -9.020 1.00 22.15 C ATOM 494 O ASP A 31 0.634 6.669 -9.079 1.00 23.11 O ATOM 495 CB ASP A 31 1.398 9.165 -10.528 1.00 5.23 C ATOM 496 CG ASP A 31 1.395 10.675 -10.668 1.00 62.24 C ATOM 497 OD1 ASP A 31 2.468 11.253 -10.928 1.00 52.12 O ATOM 498 OD2 ASP A 31 0.322 11.293 -10.510 1.00 11.02 O ATOM 0 H ASP A 31 3.786 9.409 -9.896 1.00 74.25 H new ATOM 0 HA ASP A 31 1.373 9.184 -8.370 1.00 4.24 H new ATOM 0 HB2 ASP A 31 2.004 8.730 -11.323 1.00 5.23 H new ATOM 0 HB3 ASP A 31 0.383 8.789 -10.659 1.00 5.23 H new ATOM 503 N ASN A 32 2.864 6.459 -8.852 1.00 0.20 N ATOM 504 CA ASN A 32 2.835 5.001 -8.694 1.00 2.23 C ATOM 505 C ASN A 32 2.600 4.595 -7.228 1.00 64.03 C ATOM 506 O ASN A 32 1.741 3.767 -6.939 1.00 41.44 O ATOM 507 CB ASN A 32 4.150 4.398 -9.196 1.00 1.54 C ATOM 508 CG ASN A 32 4.450 4.751 -10.643 1.00 4.32 C ATOM 509 OD1 ASN A 32 3.427 4.813 -11.476 1.00 43.42 O flip ATOM 510 ND2 ASN A 32 5.602 4.943 -11.020 1.00 12.11 N flip ATOM 0 H ASN A 32 3.800 6.863 -8.821 1.00 0.20 H new ATOM 0 HA ASN A 32 2.004 4.616 -9.286 1.00 2.23 H new ATOM 0 HB2 ASN A 32 4.968 4.747 -8.565 1.00 1.54 H new ATOM 0 HB3 ASN A 32 4.109 3.314 -9.093 1.00 1.54 H new ATOM 0 HD21 ASN A 32 6.372 4.889 -10.354 1.00 12.11 H new ATOM 0 HD22 ASN A 32 5.789 5.157 -12.000 1.00 12.11 H new ATOM 517 N GLU A 33 3.368 5.186 -6.314 1.00 23.13 N ATOM 518 CA GLU A 33 3.295 4.841 -4.883 1.00 74.05 C ATOM 519 C GLU A 33 1.946 5.246 -4.251 1.00 31.51 C ATOM 520 O GLU A 33 1.200 6.054 -4.805 1.00 62.50 O ATOM 521 CB GLU A 33 4.449 5.507 -4.109 1.00 64.24 C ATOM 522 CG GLU A 33 5.848 5.033 -4.505 1.00 63.23 C ATOM 523 CD GLU A 33 6.327 5.619 -5.825 1.00 21.41 C ATOM 524 OE1 GLU A 33 6.746 6.794 -5.838 1.00 2.11 O ATOM 525 OE2 GLU A 33 6.284 4.908 -6.851 1.00 53.54 O ATOM 0 H GLU A 33 4.052 5.910 -6.534 1.00 23.13 H new ATOM 0 HA GLU A 33 3.383 3.757 -4.814 1.00 74.05 H new ATOM 0 HB2 GLU A 33 4.391 6.585 -4.257 1.00 64.24 H new ATOM 0 HB3 GLU A 33 4.307 5.323 -3.044 1.00 64.24 H new ATOM 0 HG2 GLU A 33 6.552 5.303 -3.718 1.00 63.23 H new ATOM 0 HG3 GLU A 33 5.850 3.945 -4.576 1.00 63.23 H new ATOM 532 N LEU A 34 1.641 4.674 -3.081 1.00 54.54 N ATOM 533 CA LEU A 34 0.399 4.991 -2.351 1.00 55.00 C ATOM 534 C LEU A 34 0.705 5.770 -1.050 1.00 61.41 C ATOM 535 O LEU A 34 1.588 5.387 -0.282 1.00 44.54 O ATOM 536 CB LEU A 34 -0.361 3.688 -2.023 1.00 20.42 C ATOM 537 CG LEU A 34 -1.902 3.768 -2.051 1.00 11.11 C ATOM 538 CD1 LEU A 34 -2.516 2.420 -1.688 1.00 61.02 C ATOM 539 CD2 LEU A 34 -2.437 4.860 -1.128 1.00 24.52 C ATOM 0 H LEU A 34 2.235 3.988 -2.615 1.00 54.54 H new ATOM 0 HA LEU A 34 -0.223 5.622 -2.986 1.00 55.00 H new ATOM 0 HB2 LEU A 34 -0.046 2.921 -2.730 1.00 20.42 H new ATOM 0 HB3 LEU A 34 -0.054 3.353 -1.032 1.00 20.42 H new ATOM 0 HG LEU A 34 -2.192 4.029 -3.069 1.00 11.11 H new ATOM 0 HD11 LEU A 34 -3.603 2.497 -1.713 1.00 61.02 H new ATOM 0 HD12 LEU A 34 -2.189 1.666 -2.404 1.00 61.02 H new ATOM 0 HD13 LEU A 34 -2.196 2.132 -0.687 1.00 61.02 H new ATOM 0 HD21 LEU A 34 -3.526 4.880 -1.180 1.00 24.52 H new ATOM 0 HD22 LEU A 34 -2.126 4.655 -0.104 1.00 24.52 H new ATOM 0 HD23 LEU A 34 -2.041 5.826 -1.440 1.00 24.52 H new ATOM 551 N THR A 35 -0.034 6.854 -0.807 1.00 4.32 N ATOM 552 CA THR A 35 0.146 7.673 0.406 1.00 34.44 C ATOM 553 C THR A 35 -0.783 7.222 1.547 1.00 12.22 C ATOM 554 O THR A 35 -2.005 7.340 1.443 1.00 11.41 O ATOM 555 CB THR A 35 -0.126 9.177 0.118 1.00 12.20 C ATOM 556 OG1 THR A 35 0.761 9.658 -0.903 1.00 54.44 O ATOM 557 CG2 THR A 35 0.048 10.027 1.375 1.00 1.13 C ATOM 0 H THR A 35 -0.766 7.191 -1.432 1.00 4.32 H new ATOM 0 HA THR A 35 1.183 7.536 0.713 1.00 34.44 H new ATOM 0 HB THR A 35 -1.159 9.263 -0.220 1.00 12.20 H new ATOM 0 HG1 THR A 35 0.578 10.605 -1.076 1.00 54.44 H new ATOM 0 HG21 THR A 35 -0.150 11.072 1.138 1.00 1.13 H new ATOM 0 HG22 THR A 35 -0.650 9.691 2.141 1.00 1.13 H new ATOM 0 HG23 THR A 35 1.068 9.926 1.744 1.00 1.13 H new ATOM 565 N PHE A 36 -0.203 6.707 2.637 1.00 0.22 N ATOM 566 CA PHE A 36 -0.983 6.335 3.832 1.00 54.45 C ATOM 567 C PHE A 36 -0.083 6.151 5.068 1.00 34.42 C ATOM 568 O PHE A 36 1.144 6.221 4.974 1.00 62.34 O ATOM 569 CB PHE A 36 -1.800 5.061 3.572 1.00 43.31 C ATOM 570 CG PHE A 36 -0.975 3.841 3.243 1.00 71.05 C ATOM 571 CD1 PHE A 36 -0.644 3.542 1.927 1.00 52.32 C ATOM 572 CD2 PHE A 36 -0.544 2.984 4.245 1.00 60.45 C ATOM 573 CE1 PHE A 36 0.099 2.418 1.622 1.00 34.35 C ATOM 574 CE2 PHE A 36 0.198 1.859 3.943 1.00 72.32 C ATOM 575 CZ PHE A 36 0.519 1.576 2.631 1.00 62.15 C ATOM 0 H PHE A 36 0.799 6.537 2.720 1.00 0.22 H new ATOM 0 HA PHE A 36 -1.668 7.157 4.041 1.00 54.45 H new ATOM 0 HB2 PHE A 36 -2.405 4.847 4.453 1.00 43.31 H new ATOM 0 HB3 PHE A 36 -2.490 5.249 2.749 1.00 43.31 H new ATOM 0 HD1 PHE A 36 -0.972 4.196 1.133 1.00 52.32 H new ATOM 0 HD2 PHE A 36 -0.792 3.199 5.274 1.00 60.45 H new ATOM 0 HE1 PHE A 36 0.351 2.199 0.595 1.00 34.35 H new ATOM 0 HE2 PHE A 36 0.527 1.201 4.734 1.00 72.32 H new ATOM 0 HZ PHE A 36 1.099 0.696 2.394 1.00 62.15 H new ATOM 585 N LYS A 37 -0.699 5.911 6.229 1.00 72.10 N ATOM 586 CA LYS A 37 0.049 5.755 7.483 1.00 44.11 C ATOM 587 C LYS A 37 -0.345 4.475 8.241 1.00 74.23 C ATOM 588 O LYS A 37 -1.202 3.710 7.796 1.00 2.54 O ATOM 589 CB LYS A 37 -0.140 6.990 8.380 1.00 75.24 C ATOM 590 CG LYS A 37 0.596 8.235 7.877 1.00 43.13 C ATOM 591 CD LYS A 37 0.524 9.394 8.868 1.00 52.55 C ATOM 592 CE LYS A 37 1.401 10.568 8.432 1.00 24.52 C ATOM 593 NZ LYS A 37 2.854 10.224 8.427 1.00 52.12 N ATOM 0 H LYS A 37 -1.710 5.820 6.328 1.00 72.10 H new ATOM 0 HA LYS A 37 1.103 5.663 7.220 1.00 44.11 H new ATOM 0 HB2 LYS A 37 -1.204 7.214 8.456 1.00 75.24 H new ATOM 0 HB3 LYS A 37 0.208 6.754 9.386 1.00 75.24 H new ATOM 0 HG2 LYS A 37 1.640 7.985 7.689 1.00 43.13 H new ATOM 0 HG3 LYS A 37 0.167 8.547 6.925 1.00 43.13 H new ATOM 0 HD2 LYS A 37 -0.509 9.728 8.963 1.00 52.55 H new ATOM 0 HD3 LYS A 37 0.840 9.050 9.853 1.00 52.55 H new ATOM 0 HE2 LYS A 37 1.103 10.889 7.434 1.00 24.52 H new ATOM 0 HE3 LYS A 37 1.233 11.412 9.101 1.00 24.52 H new ATOM 0 HZ1 LYS A 37 3.410 11.070 8.191 1.00 52.12 H new ATOM 0 HZ2 LYS A 37 3.132 9.878 9.368 1.00 52.12 H new ATOM 0 HZ3 LYS A 37 3.033 9.483 7.719 1.00 52.12 H new ATOM 607 N ALA A 38 0.296 4.251 9.390 1.00 30.32 N ATOM 608 CA ALA A 38 0.050 3.049 10.199 1.00 12.24 C ATOM 609 C ALA A 38 -1.409 2.955 10.671 1.00 22.31 C ATOM 610 O ALA A 38 -2.047 3.964 10.973 1.00 12.40 O ATOM 611 CB ALA A 38 0.998 3.012 11.392 1.00 31.34 C ATOM 0 H ALA A 38 0.991 4.885 9.784 1.00 30.32 H new ATOM 0 HA ALA A 38 0.239 2.185 9.562 1.00 12.24 H new ATOM 0 HB1 ALA A 38 0.805 2.116 11.983 1.00 31.34 H new ATOM 0 HB2 ALA A 38 2.029 2.997 11.037 1.00 31.34 H new ATOM 0 HB3 ALA A 38 0.839 3.896 12.010 1.00 31.34 H new ATOM 617 N GLY A 39 -1.928 1.731 10.735 1.00 25.40 N ATOM 618 CA GLY A 39 -3.323 1.520 11.112 1.00 63.21 C ATOM 619 C GLY A 39 -4.251 1.370 9.910 1.00 53.14 C ATOM 620 O GLY A 39 -5.327 0.772 10.009 1.00 50.31 O ATOM 0 H GLY A 39 -1.409 0.877 10.533 1.00 25.40 H new ATOM 0 HA2 GLY A 39 -3.394 0.627 11.733 1.00 63.21 H new ATOM 0 HA3 GLY A 39 -3.660 2.359 11.721 1.00 63.21 H new ATOM 624 N GLU A 40 -3.836 1.921 8.772 1.00 44.23 N ATOM 625 CA GLU A 40 -4.600 1.813 7.526 1.00 3.25 C ATOM 626 C GLU A 40 -4.653 0.362 7.025 1.00 44.45 C ATOM 627 O GLU A 40 -3.657 -0.363 7.085 1.00 44.55 O ATOM 628 CB GLU A 40 -3.968 2.707 6.449 1.00 4.11 C ATOM 629 CG GLU A 40 -3.979 4.198 6.785 1.00 42.10 C ATOM 630 CD GLU A 40 -5.371 4.802 6.740 1.00 15.20 C ATOM 631 OE1 GLU A 40 -6.067 4.802 7.776 1.00 71.30 O ATOM 632 OE2 GLU A 40 -5.784 5.269 5.660 1.00 11.42 O ATOM 0 H GLU A 40 -2.969 2.451 8.684 1.00 44.23 H new ATOM 0 HA GLU A 40 -5.620 2.141 7.727 1.00 3.25 H new ATOM 0 HB2 GLU A 40 -2.938 2.390 6.289 1.00 4.11 H new ATOM 0 HB3 GLU A 40 -4.498 2.554 5.509 1.00 4.11 H new ATOM 0 HG2 GLU A 40 -3.556 4.345 7.779 1.00 42.10 H new ATOM 0 HG3 GLU A 40 -3.335 4.728 6.083 1.00 42.10 H new ATOM 639 N ILE A 41 -5.817 -0.059 6.544 1.00 31.34 N ATOM 640 CA ILE A 41 -5.972 -1.386 5.940 1.00 74.54 C ATOM 641 C ILE A 41 -5.991 -1.276 4.409 1.00 21.21 C ATOM 642 O ILE A 41 -6.928 -0.730 3.825 1.00 41.55 O ATOM 643 CB ILE A 41 -7.268 -2.084 6.430 1.00 11.13 C ATOM 644 CG1 ILE A 41 -7.249 -2.227 7.963 1.00 65.55 C ATOM 645 CG2 ILE A 41 -7.436 -3.449 5.763 1.00 53.12 C ATOM 646 CD1 ILE A 41 -6.071 -3.020 8.494 1.00 13.42 C ATOM 0 H ILE A 41 -6.672 0.498 6.559 1.00 31.34 H new ATOM 0 HA ILE A 41 -5.120 -1.991 6.250 1.00 74.54 H new ATOM 0 HB ILE A 41 -8.120 -1.465 6.149 1.00 11.13 H new ATOM 0 HG12 ILE A 41 -7.236 -1.233 8.410 1.00 65.55 H new ATOM 0 HG13 ILE A 41 -8.172 -2.709 8.284 1.00 65.55 H new ATOM 0 HG21 ILE A 41 -8.351 -3.919 6.122 1.00 53.12 H new ATOM 0 HG22 ILE A 41 -7.494 -3.321 4.682 1.00 53.12 H new ATOM 0 HG23 ILE A 41 -6.583 -4.081 6.008 1.00 53.12 H new ATOM 0 HD11 ILE A 41 -6.130 -3.075 9.581 1.00 13.42 H new ATOM 0 HD12 ILE A 41 -6.093 -4.027 8.078 1.00 13.42 H new ATOM 0 HD13 ILE A 41 -5.142 -2.528 8.206 1.00 13.42 H new ATOM 658 N ILE A 42 -4.946 -1.788 3.767 1.00 44.51 N ATOM 659 CA ILE A 42 -4.780 -1.638 2.321 1.00 2.30 C ATOM 660 C ILE A 42 -5.410 -2.811 1.563 1.00 54.14 C ATOM 661 O ILE A 42 -4.965 -3.955 1.684 1.00 42.40 O ATOM 662 CB ILE A 42 -3.285 -1.528 1.910 1.00 64.32 C ATOM 663 CG1 ILE A 42 -2.576 -0.387 2.668 1.00 75.34 C ATOM 664 CG2 ILE A 42 -3.160 -1.315 0.401 1.00 20.50 C ATOM 665 CD1 ILE A 42 -2.258 -0.701 4.118 1.00 54.12 C ATOM 0 H ILE A 42 -4.199 -2.312 4.224 1.00 44.51 H new ATOM 0 HA ILE A 42 -5.288 -0.711 2.055 1.00 2.30 H new ATOM 0 HB ILE A 42 -2.797 -2.465 2.178 1.00 64.32 H new ATOM 0 HG12 ILE A 42 -1.648 -0.144 2.150 1.00 75.34 H new ATOM 0 HG13 ILE A 42 -3.204 0.503 2.631 1.00 75.34 H new ATOM 0 HG21 ILE A 42 -2.107 -1.240 0.130 1.00 20.50 H new ATOM 0 HG22 ILE A 42 -3.611 -2.157 -0.124 1.00 20.50 H new ATOM 0 HG23 ILE A 42 -3.673 -0.396 0.120 1.00 20.50 H new ATOM 0 HD11 ILE A 42 -1.761 0.155 4.575 1.00 54.12 H new ATOM 0 HD12 ILE A 42 -3.182 -0.913 4.655 1.00 54.12 H new ATOM 0 HD13 ILE A 42 -1.602 -1.570 4.167 1.00 54.12 H new ATOM 677 N THR A 43 -6.452 -2.524 0.790 1.00 15.34 N ATOM 678 CA THR A 43 -7.079 -3.536 -0.065 1.00 23.30 C ATOM 679 C THR A 43 -6.278 -3.702 -1.363 1.00 63.22 C ATOM 680 O THR A 43 -6.324 -2.838 -2.236 1.00 41.32 O ATOM 681 CB THR A 43 -8.538 -3.135 -0.410 1.00 33.12 C ATOM 682 OG1 THR A 43 -9.296 -2.941 0.794 1.00 11.05 O ATOM 683 CG2 THR A 43 -9.223 -4.195 -1.264 1.00 3.34 C ATOM 0 H THR A 43 -6.883 -1.601 0.735 1.00 15.34 H new ATOM 0 HA THR A 43 -7.090 -4.480 0.480 1.00 23.30 H new ATOM 0 HB THR A 43 -8.496 -2.206 -0.978 1.00 33.12 H new ATOM 0 HG1 THR A 43 -10.214 -2.687 0.565 1.00 11.05 H new ATOM 0 HG21 THR A 43 -10.243 -3.880 -1.486 1.00 3.34 H new ATOM 0 HG22 THR A 43 -8.672 -4.324 -2.196 1.00 3.34 H new ATOM 0 HG23 THR A 43 -9.245 -5.140 -0.722 1.00 3.34 H new ATOM 691 N VAL A 44 -5.547 -4.808 -1.500 1.00 44.34 N ATOM 692 CA VAL A 44 -4.674 -5.003 -2.665 1.00 3.02 C ATOM 693 C VAL A 44 -5.457 -5.504 -3.889 1.00 30.43 C ATOM 694 O VAL A 44 -5.915 -6.647 -3.938 1.00 63.53 O ATOM 695 CB VAL A 44 -3.474 -5.950 -2.359 1.00 43.33 C ATOM 696 CG1 VAL A 44 -3.935 -7.307 -1.840 1.00 41.45 C ATOM 697 CG2 VAL A 44 -2.582 -6.117 -3.594 1.00 55.41 C ATOM 0 H VAL A 44 -5.539 -5.576 -0.829 1.00 44.34 H new ATOM 0 HA VAL A 44 -4.264 -4.021 -2.902 1.00 3.02 H new ATOM 0 HB VAL A 44 -2.888 -5.482 -1.568 1.00 43.33 H new ATOM 0 HG11 VAL A 44 -3.066 -7.934 -1.640 1.00 41.45 H new ATOM 0 HG12 VAL A 44 -4.504 -7.171 -0.920 1.00 41.45 H new ATOM 0 HG13 VAL A 44 -4.565 -7.788 -2.588 1.00 41.45 H new ATOM 0 HG21 VAL A 44 -1.752 -6.782 -3.356 1.00 55.41 H new ATOM 0 HG22 VAL A 44 -3.166 -6.543 -4.410 1.00 55.41 H new ATOM 0 HG23 VAL A 44 -2.193 -5.145 -3.896 1.00 55.41 H new ATOM 707 N LEU A 45 -5.600 -4.625 -4.877 1.00 62.43 N ATOM 708 CA LEU A 45 -6.344 -4.935 -6.100 1.00 31.43 C ATOM 709 C LEU A 45 -5.527 -5.839 -7.031 1.00 31.34 C ATOM 710 O LEU A 45 -6.081 -6.648 -7.776 1.00 54.11 O ATOM 711 CB LEU A 45 -6.689 -3.634 -6.841 1.00 53.22 C ATOM 712 CG LEU A 45 -7.390 -2.556 -5.999 1.00 12.25 C ATOM 713 CD1 LEU A 45 -7.533 -1.260 -6.795 1.00 34.43 C ATOM 714 CD2 LEU A 45 -8.751 -3.049 -5.512 1.00 12.01 C ATOM 0 H LEU A 45 -5.208 -3.684 -4.856 1.00 62.43 H new ATOM 0 HA LEU A 45 -7.256 -5.459 -5.816 1.00 31.43 H new ATOM 0 HB2 LEU A 45 -5.769 -3.212 -7.245 1.00 53.22 H new ATOM 0 HB3 LEU A 45 -7.327 -3.879 -7.690 1.00 53.22 H new ATOM 0 HG LEU A 45 -6.773 -2.351 -5.124 1.00 12.25 H new ATOM 0 HD11 LEU A 45 -8.032 -0.509 -6.182 1.00 34.43 H new ATOM 0 HD12 LEU A 45 -6.545 -0.898 -7.081 1.00 34.43 H new ATOM 0 HD13 LEU A 45 -8.124 -1.447 -7.691 1.00 34.43 H new ATOM 0 HD21 LEU A 45 -9.229 -2.270 -4.918 1.00 12.01 H new ATOM 0 HD22 LEU A 45 -9.379 -3.289 -6.370 1.00 12.01 H new ATOM 0 HD23 LEU A 45 -8.617 -3.941 -4.900 1.00 12.01 H new ATOM 726 N ASP A 46 -4.207 -5.690 -6.976 1.00 4.51 N ATOM 727 CA ASP A 46 -3.311 -6.401 -7.890 1.00 1.04 C ATOM 728 C ASP A 46 -1.985 -6.778 -7.209 1.00 53.03 C ATOM 729 O ASP A 46 -1.121 -5.924 -7.001 1.00 64.53 O ATOM 730 CB ASP A 46 -3.037 -5.519 -9.118 1.00 54.32 C ATOM 731 CG ASP A 46 -2.150 -6.195 -10.150 1.00 42.33 C ATOM 732 OD1 ASP A 46 -0.923 -6.272 -9.933 1.00 54.53 O ATOM 733 OD2 ASP A 46 -2.674 -6.633 -11.196 1.00 2.14 O ATOM 0 H ASP A 46 -3.731 -5.083 -6.308 1.00 4.51 H new ATOM 0 HA ASP A 46 -3.799 -7.327 -8.195 1.00 1.04 H new ATOM 0 HB2 ASP A 46 -3.985 -5.249 -9.583 1.00 54.32 H new ATOM 0 HB3 ASP A 46 -2.565 -4.591 -8.794 1.00 54.32 H new ATOM 738 N ASP A 47 -1.826 -8.046 -6.847 1.00 73.31 N ATOM 739 CA ASP A 47 -0.535 -8.546 -6.367 1.00 63.12 C ATOM 740 C ASP A 47 0.232 -9.247 -7.504 1.00 4.45 C ATOM 741 O ASP A 47 0.508 -10.449 -7.452 1.00 15.12 O ATOM 742 CB ASP A 47 -0.717 -9.465 -5.147 1.00 60.24 C ATOM 743 CG ASP A 47 -1.836 -10.477 -5.321 1.00 64.13 C ATOM 744 OD1 ASP A 47 -1.625 -11.500 -6.006 1.00 24.35 O ATOM 745 OD2 ASP A 47 -2.932 -10.268 -4.761 1.00 21.24 O ATOM 0 H ASP A 47 -2.568 -8.746 -6.875 1.00 73.31 H new ATOM 0 HA ASP A 47 0.064 -7.696 -6.041 1.00 63.12 H new ATOM 0 HB2 ASP A 47 0.217 -9.995 -4.957 1.00 60.24 H new ATOM 0 HB3 ASP A 47 -0.922 -8.854 -4.268 1.00 60.24 H new ATOM 750 N SER A 48 0.554 -8.459 -8.539 1.00 75.32 N ATOM 751 CA SER A 48 1.293 -8.929 -9.726 1.00 63.22 C ATOM 752 C SER A 48 2.415 -9.914 -9.373 1.00 50.15 C ATOM 753 O SER A 48 2.463 -11.033 -9.888 1.00 73.22 O ATOM 754 CB SER A 48 1.896 -7.724 -10.466 1.00 33.54 C ATOM 755 OG SER A 48 2.718 -8.128 -11.551 1.00 3.02 O ATOM 0 H SER A 48 0.309 -7.470 -8.579 1.00 75.32 H new ATOM 0 HA SER A 48 0.580 -9.456 -10.360 1.00 63.22 H new ATOM 0 HB2 SER A 48 1.093 -7.086 -10.836 1.00 33.54 H new ATOM 0 HB3 SER A 48 2.483 -7.126 -9.769 1.00 33.54 H new ATOM 0 HG SER A 48 3.656 -8.131 -11.267 1.00 3.02 H new ATOM 761 N ASP A 49 3.309 -9.486 -8.494 1.00 34.32 N ATOM 762 CA ASP A 49 4.456 -10.294 -8.091 1.00 20.13 C ATOM 763 C ASP A 49 4.907 -9.915 -6.671 1.00 41.31 C ATOM 764 O ASP A 49 4.654 -8.801 -6.219 1.00 71.43 O ATOM 765 CB ASP A 49 5.604 -10.120 -9.095 1.00 11.22 C ATOM 766 CG ASP A 49 6.044 -8.675 -9.232 1.00 23.13 C ATOM 767 OD1 ASP A 49 5.432 -7.931 -10.027 1.00 45.11 O ATOM 768 OD2 ASP A 49 7.011 -8.282 -8.545 1.00 74.04 O ATOM 0 H ASP A 49 3.263 -8.574 -8.040 1.00 34.32 H new ATOM 0 HA ASP A 49 4.162 -11.344 -8.084 1.00 20.13 H new ATOM 0 HB2 ASP A 49 6.453 -10.726 -8.779 1.00 11.22 H new ATOM 0 HB3 ASP A 49 5.290 -10.494 -10.069 1.00 11.22 H new ATOM 773 N PRO A 50 5.569 -10.836 -5.941 1.00 24.44 N ATOM 774 CA PRO A 50 5.991 -10.608 -4.541 1.00 33.31 C ATOM 775 C PRO A 50 6.770 -9.294 -4.311 1.00 3.50 C ATOM 776 O PRO A 50 6.974 -8.888 -3.164 1.00 65.33 O ATOM 777 CB PRO A 50 6.885 -11.824 -4.228 1.00 25.53 C ATOM 778 CG PRO A 50 7.163 -12.470 -5.547 1.00 10.34 C ATOM 779 CD PRO A 50 5.966 -12.174 -6.404 1.00 62.41 C ATOM 0 HA PRO A 50 5.120 -10.507 -3.893 1.00 33.31 H new ATOM 0 HB2 PRO A 50 7.810 -11.515 -3.740 1.00 25.53 H new ATOM 0 HB3 PRO A 50 6.383 -12.515 -3.551 1.00 25.53 H new ATOM 0 HG2 PRO A 50 8.073 -12.071 -5.994 1.00 10.34 H new ATOM 0 HG3 PRO A 50 7.308 -13.544 -5.434 1.00 10.34 H new ATOM 0 HD2 PRO A 50 6.215 -12.179 -7.465 1.00 62.41 H new ATOM 0 HD3 PRO A 50 5.172 -12.906 -6.259 1.00 62.41 H new ATOM 787 N ASN A 51 7.206 -8.638 -5.389 1.00 74.43 N ATOM 788 CA ASN A 51 7.946 -7.375 -5.271 1.00 63.35 C ATOM 789 C ASN A 51 7.019 -6.152 -5.418 1.00 11.54 C ATOM 790 O ASN A 51 7.252 -5.116 -4.800 1.00 51.23 O ATOM 791 CB ASN A 51 9.058 -7.306 -6.329 1.00 24.11 C ATOM 792 CG ASN A 51 9.864 -8.588 -6.411 1.00 33.55 C ATOM 793 OD1 ASN A 51 10.819 -8.789 -5.669 1.00 35.45 O ATOM 794 ND2 ASN A 51 9.497 -9.464 -7.325 1.00 13.40 N ATOM 0 H ASN A 51 7.062 -8.956 -6.348 1.00 74.43 H new ATOM 0 HA ASN A 51 8.386 -7.350 -4.274 1.00 63.35 H new ATOM 0 HB2 ASN A 51 8.616 -7.096 -7.303 1.00 24.11 H new ATOM 0 HB3 ASN A 51 9.725 -6.476 -6.096 1.00 24.11 H new ATOM 0 HD21 ASN A 51 10.012 -10.338 -7.430 1.00 13.40 H new ATOM 0 HD22 ASN A 51 8.698 -9.268 -7.928 1.00 13.40 H new ATOM 801 N TRP A 52 5.962 -6.278 -6.229 1.00 21.34 N ATOM 802 CA TRP A 52 5.072 -5.142 -6.532 1.00 62.20 C ATOM 803 C TRP A 52 3.595 -5.453 -6.246 1.00 45.01 C ATOM 804 O TRP A 52 2.985 -6.310 -6.891 1.00 20.31 O ATOM 805 CB TRP A 52 5.236 -4.716 -8.000 1.00 73.14 C ATOM 806 CG TRP A 52 6.589 -4.142 -8.304 1.00 60.35 C ATOM 807 CD1 TRP A 52 7.724 -4.831 -8.612 1.00 54.43 C ATOM 808 CD2 TRP A 52 6.949 -2.755 -8.319 1.00 42.52 C ATOM 809 NE1 TRP A 52 8.766 -3.963 -8.820 1.00 53.12 N ATOM 810 CE2 TRP A 52 8.313 -2.681 -8.647 1.00 62.22 C ATOM 811 CE3 TRP A 52 6.245 -1.570 -8.091 1.00 24.22 C ATOM 812 CZ2 TRP A 52 8.991 -1.469 -8.750 1.00 44.31 C ATOM 813 CZ3 TRP A 52 6.918 -0.367 -8.193 1.00 61.42 C ATOM 814 CH2 TRP A 52 8.278 -0.326 -8.521 1.00 73.54 C ATOM 0 H TRP A 52 5.699 -7.150 -6.688 1.00 21.34 H new ATOM 0 HA TRP A 52 5.367 -4.326 -5.872 1.00 62.20 H new ATOM 0 HB2 TRP A 52 5.062 -5.579 -8.643 1.00 73.14 H new ATOM 0 HB3 TRP A 52 4.472 -3.977 -8.244 1.00 73.14 H new ATOM 0 HD1 TRP A 52 7.793 -5.906 -8.682 1.00 54.43 H new ATOM 0 HE1 TRP A 52 9.720 -4.228 -9.063 1.00 53.12 H new ATOM 0 HE3 TRP A 52 5.195 -1.593 -7.840 1.00 24.22 H new ATOM 0 HZ2 TRP A 52 10.041 -1.434 -9.001 1.00 44.31 H new ATOM 0 HZ3 TRP A 52 6.386 0.556 -8.017 1.00 61.42 H new ATOM 0 HH2 TRP A 52 8.775 0.630 -8.595 1.00 73.54 H new ATOM 825 N TRP A 53 3.023 -4.732 -5.277 1.00 62.04 N ATOM 826 CA TRP A 53 1.603 -4.870 -4.912 1.00 51.11 C ATOM 827 C TRP A 53 0.851 -3.536 -5.100 1.00 4.41 C ATOM 828 O TRP A 53 1.329 -2.478 -4.675 1.00 54.04 O ATOM 829 CB TRP A 53 1.468 -5.332 -3.450 1.00 22.32 C ATOM 830 CG TRP A 53 1.849 -6.770 -3.203 1.00 75.53 C ATOM 831 CD1 TRP A 53 2.921 -7.444 -3.711 1.00 55.35 C ATOM 832 CD2 TRP A 53 1.156 -7.703 -2.361 1.00 62.14 C ATOM 833 NE1 TRP A 53 2.933 -8.735 -3.244 1.00 14.15 N ATOM 834 CE2 TRP A 53 1.862 -8.918 -2.413 1.00 1.45 C ATOM 835 CE3 TRP A 53 0.005 -7.627 -1.568 1.00 72.33 C ATOM 836 CZ2 TRP A 53 1.455 -10.048 -1.705 1.00 34.12 C ATOM 837 CZ3 TRP A 53 -0.396 -8.748 -0.865 1.00 55.25 C ATOM 838 CH2 TRP A 53 0.326 -9.945 -0.938 1.00 74.02 C ATOM 0 H TRP A 53 3.526 -4.038 -4.723 1.00 62.04 H new ATOM 0 HA TRP A 53 1.161 -5.617 -5.571 1.00 51.11 H new ATOM 0 HB2 TRP A 53 2.090 -4.693 -2.823 1.00 22.32 H new ATOM 0 HB3 TRP A 53 0.436 -5.184 -3.131 1.00 22.32 H new ATOM 0 HD1 TRP A 53 3.654 -7.023 -4.383 1.00 55.35 H new ATOM 0 HE1 TRP A 53 3.628 -9.443 -3.479 1.00 14.15 H new ATOM 0 HE3 TRP A 53 -0.560 -6.709 -1.506 1.00 72.33 H new ATOM 0 HZ2 TRP A 53 2.011 -10.972 -1.760 1.00 34.12 H new ATOM 0 HZ3 TRP A 53 -1.282 -8.699 -0.249 1.00 55.25 H new ATOM 0 HH2 TRP A 53 -0.014 -10.804 -0.378 1.00 74.02 H new ATOM 849 N LYS A 54 -0.321 -3.597 -5.734 1.00 25.03 N ATOM 850 CA LYS A 54 -1.174 -2.415 -5.944 1.00 75.11 C ATOM 851 C LYS A 54 -2.422 -2.471 -5.049 1.00 73.33 C ATOM 852 O LYS A 54 -3.219 -3.406 -5.146 1.00 12.32 O ATOM 853 CB LYS A 54 -1.603 -2.320 -7.418 1.00 33.15 C ATOM 854 CG LYS A 54 -2.522 -1.138 -7.717 1.00 2.24 C ATOM 855 CD LYS A 54 -2.988 -1.104 -9.173 1.00 62.14 C ATOM 856 CE LYS A 54 -1.851 -0.815 -10.155 1.00 21.23 C ATOM 857 NZ LYS A 54 -1.034 -2.017 -10.476 1.00 34.21 N ATOM 0 H LYS A 54 -0.708 -4.460 -6.116 1.00 25.03 H new ATOM 0 HA LYS A 54 -0.593 -1.532 -5.679 1.00 75.11 H new ATOM 0 HB2 LYS A 54 -0.712 -2.243 -8.042 1.00 33.15 H new ATOM 0 HB3 LYS A 54 -2.110 -3.243 -7.699 1.00 33.15 H new ATOM 0 HG2 LYS A 54 -3.392 -1.186 -7.063 1.00 2.24 H new ATOM 0 HG3 LYS A 54 -2.000 -0.210 -7.486 1.00 2.24 H new ATOM 0 HD2 LYS A 54 -3.445 -2.061 -9.425 1.00 62.14 H new ATOM 0 HD3 LYS A 54 -3.760 -0.343 -9.285 1.00 62.14 H new ATOM 0 HE2 LYS A 54 -2.270 -0.411 -11.077 1.00 21.23 H new ATOM 0 HE3 LYS A 54 -1.204 -0.045 -9.735 1.00 21.23 H new ATOM 0 HZ1 LYS A 54 -0.070 -1.890 -10.107 1.00 34.21 H new ATOM 0 HZ2 LYS A 54 -1.465 -2.856 -10.039 1.00 34.21 H new ATOM 0 HZ3 LYS A 54 -0.995 -2.145 -11.507 1.00 34.21 H new ATOM 871 N GLY A 55 -2.607 -1.460 -4.201 1.00 74.34 N ATOM 872 CA GLY A 55 -3.720 -1.471 -3.254 1.00 23.42 C ATOM 873 C GLY A 55 -4.554 -0.192 -3.253 1.00 63.00 C ATOM 874 O GLY A 55 -4.202 0.798 -3.896 1.00 1.23 O ATOM 0 H GLY A 55 -2.010 -0.635 -4.150 1.00 74.34 H new ATOM 0 HA2 GLY A 55 -4.370 -2.315 -3.484 1.00 23.42 H new ATOM 0 HA3 GLY A 55 -3.327 -1.636 -2.251 1.00 23.42 H new ATOM 878 N GLU A 56 -5.666 -0.224 -2.516 1.00 1.40 N ATOM 879 CA GLU A 56 -6.565 0.926 -2.382 1.00 72.15 C ATOM 880 C GLU A 56 -6.787 1.274 -0.901 1.00 41.43 C ATOM 881 O GLU A 56 -6.994 0.387 -0.067 1.00 14.23 O ATOM 882 CB GLU A 56 -7.918 0.623 -3.047 1.00 52.22 C ATOM 883 CG GLU A 56 -8.911 1.785 -2.988 1.00 25.44 C ATOM 884 CD GLU A 56 -10.298 1.413 -3.500 1.00 13.45 C ATOM 885 OE1 GLU A 56 -10.509 1.416 -4.732 1.00 0.25 O ATOM 886 OE2 GLU A 56 -11.190 1.126 -2.668 1.00 2.44 O ATOM 0 H GLU A 56 -5.969 -1.047 -1.995 1.00 1.40 H new ATOM 0 HA GLU A 56 -6.101 1.779 -2.878 1.00 72.15 H new ATOM 0 HB2 GLU A 56 -7.748 0.356 -4.090 1.00 52.22 H new ATOM 0 HB3 GLU A 56 -8.363 -0.247 -2.564 1.00 52.22 H new ATOM 0 HG2 GLU A 56 -8.992 2.134 -1.959 1.00 25.44 H new ATOM 0 HG3 GLU A 56 -8.524 2.616 -3.577 1.00 25.44 H new ATOM 893 N THR A 57 -6.737 2.565 -0.583 1.00 51.22 N ATOM 894 CA THR A 57 -6.997 3.054 0.783 1.00 54.43 C ATOM 895 C THR A 57 -8.065 4.155 0.770 1.00 54.44 C ATOM 896 O THR A 57 -8.746 4.363 -0.236 1.00 34.04 O ATOM 897 CB THR A 57 -5.717 3.623 1.446 1.00 14.32 C ATOM 898 OG1 THR A 57 -5.288 4.813 0.762 1.00 54.31 O ATOM 899 CG2 THR A 57 -4.590 2.597 1.447 1.00 31.20 C ATOM 0 H THR A 57 -6.518 3.302 -1.253 1.00 51.22 H new ATOM 0 HA THR A 57 -7.345 2.197 1.360 1.00 54.43 H new ATOM 0 HB THR A 57 -5.960 3.867 2.480 1.00 14.32 H new ATOM 0 HG1 THR A 57 -4.937 5.456 1.413 1.00 54.31 H new ATOM 0 HG21 THR A 57 -3.707 3.027 1.919 1.00 31.20 H new ATOM 0 HG22 THR A 57 -4.903 1.713 2.002 1.00 31.20 H new ATOM 0 HG23 THR A 57 -4.353 2.316 0.421 1.00 31.20 H new ATOM 907 N HIS A 58 -8.224 4.852 1.893 1.00 15.44 N ATOM 908 CA HIS A 58 -9.132 6.000 1.975 1.00 42.13 C ATOM 909 C HIS A 58 -8.564 7.209 1.205 1.00 54.34 C ATOM 910 O HIS A 58 -9.293 8.146 0.872 1.00 54.34 O ATOM 911 CB HIS A 58 -9.365 6.373 3.449 1.00 62.03 C ATOM 912 CG HIS A 58 -10.402 7.438 3.655 1.00 34.24 C ATOM 913 ND1 HIS A 58 -10.094 8.734 4.012 1.00 32.12 N ATOM 914 CD2 HIS A 58 -11.753 7.392 3.566 1.00 54.21 C ATOM 915 CE1 HIS A 58 -11.202 9.434 4.133 1.00 55.11 C ATOM 916 NE2 HIS A 58 -12.221 8.647 3.869 1.00 33.03 N ATOM 0 H HIS A 58 -7.735 4.643 2.763 1.00 15.44 H new ATOM 0 HA HIS A 58 -10.082 5.723 1.517 1.00 42.13 H new ATOM 0 HB2 HIS A 58 -9.664 5.479 3.996 1.00 62.03 H new ATOM 0 HB3 HIS A 58 -8.423 6.710 3.881 1.00 62.03 H new ATOM 0 HD2 HIS A 58 -12.350 6.530 3.306 1.00 54.21 H new ATOM 0 HE1 HIS A 58 -11.263 10.478 4.403 1.00 55.11 H new ATOM 0 HE2 HIS A 58 -13.202 8.924 3.886 1.00 33.03 H new ATOM 925 N GLN A 59 -7.259 7.176 0.928 1.00 73.40 N ATOM 926 CA GLN A 59 -6.579 8.267 0.221 1.00 11.31 C ATOM 927 C GLN A 59 -6.603 8.058 -1.307 1.00 5.21 C ATOM 928 O GLN A 59 -6.752 9.016 -2.074 1.00 31.23 O ATOM 929 CB GLN A 59 -5.128 8.377 0.717 1.00 13.30 C ATOM 930 CG GLN A 59 -4.423 9.665 0.296 1.00 24.52 C ATOM 931 CD GLN A 59 -5.063 10.909 0.896 1.00 63.15 C ATOM 932 OE1 GLN A 59 -5.626 10.871 1.988 1.00 33.21 O ATOM 933 NE2 GLN A 59 -4.976 12.024 0.198 1.00 60.33 N ATOM 0 H GLN A 59 -6.647 6.401 1.184 1.00 73.40 H new ATOM 0 HA GLN A 59 -7.112 9.193 0.435 1.00 11.31 H new ATOM 0 HB2 GLN A 59 -5.121 8.310 1.805 1.00 13.30 H new ATOM 0 HB3 GLN A 59 -4.561 7.525 0.341 1.00 13.30 H new ATOM 0 HG2 GLN A 59 -3.377 9.617 0.599 1.00 24.52 H new ATOM 0 HG3 GLN A 59 -4.437 9.743 -0.791 1.00 24.52 H new ATOM 0 HE21 GLN A 59 -4.502 12.024 -0.705 1.00 60.33 H new ATOM 0 HE22 GLN A 59 -5.382 12.886 0.561 1.00 60.33 H new ATOM 942 N GLY A 60 -6.446 6.810 -1.748 1.00 71.42 N ATOM 943 CA GLY A 60 -6.465 6.517 -3.179 1.00 72.43 C ATOM 944 C GLY A 60 -5.893 5.145 -3.530 1.00 12.14 C ATOM 945 O GLY A 60 -5.778 4.272 -2.670 1.00 30.32 O ATOM 0 H GLY A 60 -6.307 5.999 -1.146 1.00 71.42 H new ATOM 0 HA2 GLY A 60 -7.492 6.576 -3.540 1.00 72.43 H new ATOM 0 HA3 GLY A 60 -5.897 7.284 -3.706 1.00 72.43 H new ATOM 949 N ILE A 61 -5.532 4.959 -4.801 1.00 2.23 N ATOM 950 CA ILE A 61 -4.983 3.683 -5.289 1.00 33.51 C ATOM 951 C ILE A 61 -3.522 3.850 -5.736 1.00 40.55 C ATOM 952 O ILE A 61 -3.199 4.786 -6.469 1.00 31.21 O ATOM 953 CB ILE A 61 -5.812 3.139 -6.484 1.00 63.41 C ATOM 954 CG1 ILE A 61 -7.293 2.993 -6.094 1.00 51.40 C ATOM 955 CG2 ILE A 61 -5.246 1.802 -6.970 1.00 43.34 C ATOM 956 CD1 ILE A 61 -8.186 2.517 -7.223 1.00 50.30 C ATOM 0 H ILE A 61 -5.609 5.679 -5.519 1.00 2.23 H new ATOM 0 HA ILE A 61 -5.033 2.974 -4.462 1.00 33.51 H new ATOM 0 HB ILE A 61 -5.743 3.856 -7.302 1.00 63.41 H new ATOM 0 HG12 ILE A 61 -7.371 2.292 -5.263 1.00 51.40 H new ATOM 0 HG13 ILE A 61 -7.660 3.955 -5.736 1.00 51.40 H new ATOM 0 HG21 ILE A 61 -5.841 1.438 -7.808 1.00 43.34 H new ATOM 0 HG22 ILE A 61 -4.213 1.939 -7.291 1.00 43.34 H new ATOM 0 HG23 ILE A 61 -5.280 1.076 -6.158 1.00 43.34 H new ATOM 0 HD11 ILE A 61 -9.213 2.440 -6.867 1.00 50.30 H new ATOM 0 HD12 ILE A 61 -8.140 3.228 -8.048 1.00 50.30 H new ATOM 0 HD13 ILE A 61 -7.847 1.540 -7.567 1.00 50.30 H new ATOM 968 N GLY A 62 -2.652 2.939 -5.305 1.00 74.25 N ATOM 969 CA GLY A 62 -1.238 3.027 -5.664 1.00 54.30 C ATOM 970 C GLY A 62 -0.445 1.758 -5.358 1.00 32.05 C ATOM 971 O GLY A 62 -1.016 0.685 -5.155 1.00 1.21 O ATOM 0 H GLY A 62 -2.896 2.143 -4.716 1.00 74.25 H new ATOM 0 HA2 GLY A 62 -1.156 3.248 -6.728 1.00 54.30 H new ATOM 0 HA3 GLY A 62 -0.788 3.863 -5.129 1.00 54.30 H new ATOM 975 N LEU A 63 0.878 1.889 -5.326 1.00 12.23 N ATOM 976 CA LEU A 63 1.791 0.762 -5.106 1.00 44.44 C ATOM 977 C LEU A 63 2.520 0.879 -3.758 1.00 22.42 C ATOM 978 O LEU A 63 2.745 1.980 -3.251 1.00 70.45 O ATOM 979 CB LEU A 63 2.828 0.703 -6.244 1.00 45.13 C ATOM 980 CG LEU A 63 2.258 0.482 -7.656 1.00 52.12 C ATOM 981 CD1 LEU A 63 3.346 0.640 -8.712 1.00 44.43 C ATOM 982 CD2 LEU A 63 1.612 -0.895 -7.762 1.00 43.32 C ATOM 0 H LEU A 63 1.353 2.783 -5.452 1.00 12.23 H new ATOM 0 HA LEU A 63 1.196 -0.151 -5.093 1.00 44.44 H new ATOM 0 HB2 LEU A 63 3.395 1.634 -6.243 1.00 45.13 H new ATOM 0 HB3 LEU A 63 3.533 -0.100 -6.027 1.00 45.13 H new ATOM 0 HG LEU A 63 1.495 1.240 -7.836 1.00 52.12 H new ATOM 0 HD11 LEU A 63 2.919 0.479 -9.702 1.00 44.43 H new ATOM 0 HD12 LEU A 63 3.764 1.645 -8.656 1.00 44.43 H new ATOM 0 HD13 LEU A 63 4.135 -0.091 -8.534 1.00 44.43 H new ATOM 0 HD21 LEU A 63 1.214 -1.034 -8.767 1.00 43.32 H new ATOM 0 HD22 LEU A 63 2.358 -1.663 -7.557 1.00 43.32 H new ATOM 0 HD23 LEU A 63 0.802 -0.973 -7.037 1.00 43.32 H new ATOM 994 N PHE A 64 2.886 -0.267 -3.183 1.00 74.30 N ATOM 995 CA PHE A 64 3.691 -0.308 -1.954 1.00 41.23 C ATOM 996 C PHE A 64 4.728 -1.452 -1.998 1.00 61.04 C ATOM 997 O PHE A 64 4.697 -2.377 -1.182 1.00 13.22 O ATOM 998 CB PHE A 64 2.773 -0.425 -0.719 1.00 15.53 C ATOM 999 CG PHE A 64 1.738 -1.531 -0.791 1.00 33.30 C ATOM 1000 CD1 PHE A 64 0.596 -1.384 -1.571 1.00 41.34 C ATOM 1001 CD2 PHE A 64 1.894 -2.705 -0.063 1.00 42.13 C ATOM 1002 CE1 PHE A 64 -0.361 -2.380 -1.623 1.00 71.31 C ATOM 1003 CE2 PHE A 64 0.937 -3.704 -0.117 1.00 22.04 C ATOM 1004 CZ PHE A 64 -0.190 -3.539 -0.895 1.00 24.42 C ATOM 0 H PHE A 64 2.638 -1.186 -3.549 1.00 74.30 H new ATOM 0 HA PHE A 64 4.249 0.625 -1.878 1.00 41.23 H new ATOM 0 HB2 PHE A 64 3.394 -0.586 0.162 1.00 15.53 H new ATOM 0 HB3 PHE A 64 2.258 0.525 -0.577 1.00 15.53 H new ATOM 0 HD1 PHE A 64 0.455 -0.479 -2.144 1.00 41.34 H new ATOM 0 HD2 PHE A 64 2.772 -2.839 0.552 1.00 42.13 H new ATOM 0 HE1 PHE A 64 -1.242 -2.251 -2.234 1.00 71.31 H new ATOM 0 HE2 PHE A 64 1.073 -4.613 0.450 1.00 22.04 H new ATOM 0 HZ PHE A 64 -0.938 -4.317 -0.934 1.00 24.42 H new ATOM 1014 N PRO A 65 5.684 -1.383 -2.951 1.00 62.35 N ATOM 1015 CA PRO A 65 6.656 -2.471 -3.199 1.00 44.42 C ATOM 1016 C PRO A 65 7.624 -2.724 -2.027 1.00 23.44 C ATOM 1017 O PRO A 65 8.097 -3.845 -1.833 1.00 13.51 O ATOM 1018 CB PRO A 65 7.426 -1.986 -4.438 1.00 70.24 C ATOM 1019 CG PRO A 65 7.263 -0.503 -4.438 1.00 45.43 C ATOM 1020 CD PRO A 65 5.902 -0.235 -3.858 1.00 72.43 C ATOM 0 HA PRO A 65 6.147 -3.426 -3.331 1.00 44.42 H new ATOM 0 HB2 PRO A 65 8.478 -2.267 -4.384 1.00 70.24 H new ATOM 0 HB3 PRO A 65 7.024 -2.427 -5.350 1.00 70.24 H new ATOM 0 HG2 PRO A 65 8.041 -0.025 -3.843 1.00 45.43 H new ATOM 0 HG3 PRO A 65 7.342 -0.102 -5.448 1.00 45.43 H new ATOM 0 HD2 PRO A 65 5.874 0.713 -3.320 1.00 72.43 H new ATOM 0 HD3 PRO A 65 5.138 -0.185 -4.633 1.00 72.43 H new ATOM 1028 N SER A 66 7.918 -1.682 -1.247 1.00 63.45 N ATOM 1029 CA SER A 66 8.825 -1.811 -0.089 1.00 72.22 C ATOM 1030 C SER A 66 8.258 -2.761 0.980 1.00 35.43 C ATOM 1031 O SER A 66 8.991 -3.263 1.835 1.00 24.43 O ATOM 1032 CB SER A 66 9.097 -0.437 0.538 1.00 12.32 C ATOM 1033 OG SER A 66 9.949 -0.539 1.669 1.00 22.11 O ATOM 0 H SER A 66 7.547 -0.742 -1.389 1.00 63.45 H new ATOM 0 HA SER A 66 9.759 -2.234 -0.459 1.00 72.22 H new ATOM 0 HB2 SER A 66 9.553 0.219 -0.204 1.00 12.32 H new ATOM 0 HB3 SER A 66 8.154 0.023 0.833 1.00 12.32 H new ATOM 0 HG SER A 66 10.104 0.353 2.044 1.00 22.11 H new ATOM 1039 N ASN A 67 6.949 -3.006 0.917 1.00 75.10 N ATOM 1040 CA ASN A 67 6.257 -3.893 1.859 1.00 15.33 C ATOM 1041 C ASN A 67 6.432 -3.413 3.317 1.00 3.45 C ATOM 1042 O ASN A 67 6.972 -4.121 4.169 1.00 33.03 O ATOM 1043 CB ASN A 67 6.736 -5.347 1.691 1.00 32.31 C ATOM 1044 CG ASN A 67 5.841 -6.344 2.409 1.00 71.23 C ATOM 1045 OD1 ASN A 67 4.851 -6.816 1.861 1.00 31.43 O ATOM 1046 ND2 ASN A 67 6.175 -6.671 3.640 1.00 32.30 N ATOM 0 H ASN A 67 6.336 -2.596 0.212 1.00 75.10 H new ATOM 0 HA ASN A 67 5.192 -3.859 1.630 1.00 15.33 H new ATOM 0 HB2 ASN A 67 6.771 -5.594 0.630 1.00 32.31 H new ATOM 0 HB3 ASN A 67 7.753 -5.437 2.073 1.00 32.31 H new ATOM 0 HD21 ASN A 67 5.604 -7.334 4.164 1.00 32.30 H new ATOM 0 HD22 ASN A 67 7.005 -6.261 4.069 1.00 32.30 H new ATOM 1053 N PHE A 68 5.987 -2.186 3.580 1.00 64.04 N ATOM 1054 CA PHE A 68 5.946 -1.627 4.944 1.00 41.24 C ATOM 1055 C PHE A 68 4.614 -1.972 5.632 1.00 23.53 C ATOM 1056 O PHE A 68 4.197 -1.330 6.601 1.00 53.32 O ATOM 1057 CB PHE A 68 6.171 -0.101 4.899 1.00 43.11 C ATOM 1058 CG PHE A 68 5.658 0.560 3.640 1.00 51.05 C ATOM 1059 CD1 PHE A 68 4.310 0.827 3.470 1.00 25.01 C ATOM 1060 CD2 PHE A 68 6.535 0.904 2.620 1.00 60.21 C ATOM 1061 CE1 PHE A 68 3.847 1.419 2.310 1.00 21.31 C ATOM 1062 CE2 PHE A 68 6.079 1.497 1.461 1.00 75.15 C ATOM 1063 CZ PHE A 68 4.732 1.755 1.305 1.00 65.12 C ATOM 0 H PHE A 68 5.644 -1.548 2.862 1.00 64.04 H new ATOM 0 HA PHE A 68 6.748 -2.074 5.531 1.00 41.24 H new ATOM 0 HB2 PHE A 68 5.682 0.353 5.761 1.00 43.11 H new ATOM 0 HB3 PHE A 68 7.238 0.101 4.994 1.00 43.11 H new ATOM 0 HD1 PHE A 68 3.612 0.570 4.253 1.00 25.01 H new ATOM 0 HD2 PHE A 68 7.590 0.704 2.736 1.00 60.21 H new ATOM 0 HE1 PHE A 68 2.792 1.619 2.190 1.00 21.31 H new ATOM 0 HE2 PHE A 68 6.774 1.759 0.677 1.00 75.15 H new ATOM 0 HZ PHE A 68 4.371 2.219 0.399 1.00 65.12 H new ATOM 1073 N VAL A 69 3.967 -3.016 5.120 1.00 35.33 N ATOM 1074 CA VAL A 69 2.706 -3.524 5.659 1.00 62.11 C ATOM 1075 C VAL A 69 2.798 -5.041 5.893 1.00 33.52 C ATOM 1076 O VAL A 69 3.817 -5.661 5.576 1.00 32.14 O ATOM 1077 CB VAL A 69 1.531 -3.239 4.687 1.00 23.51 C ATOM 1078 CG1 VAL A 69 1.395 -1.739 4.419 1.00 22.02 C ATOM 1079 CG2 VAL A 69 1.712 -4.010 3.377 1.00 33.25 C ATOM 0 H VAL A 69 4.305 -3.539 4.312 1.00 35.33 H new ATOM 0 HA VAL A 69 2.521 -3.013 6.604 1.00 62.11 H new ATOM 0 HB VAL A 69 0.611 -3.582 5.160 1.00 23.51 H new ATOM 0 HG11 VAL A 69 0.564 -1.565 3.735 1.00 22.02 H new ATOM 0 HG12 VAL A 69 1.207 -1.217 5.357 1.00 22.02 H new ATOM 0 HG13 VAL A 69 2.316 -1.364 3.974 1.00 22.02 H new ATOM 0 HG21 VAL A 69 0.877 -3.795 2.710 1.00 33.25 H new ATOM 0 HG22 VAL A 69 2.644 -3.705 2.901 1.00 33.25 H new ATOM 0 HG23 VAL A 69 1.744 -5.079 3.586 1.00 33.25 H new ATOM 1089 N THR A 70 1.744 -5.637 6.444 1.00 24.25 N ATOM 1090 CA THR A 70 1.689 -7.096 6.629 1.00 31.11 C ATOM 1091 C THR A 70 0.280 -7.572 6.991 1.00 74.55 C ATOM 1092 O THR A 70 -0.507 -6.834 7.584 1.00 30.11 O ATOM 1093 CB THR A 70 2.672 -7.594 7.721 1.00 12.31 C ATOM 1094 OG1 THR A 70 2.564 -9.023 7.868 1.00 41.51 O ATOM 1095 CG2 THR A 70 2.402 -6.914 9.062 1.00 32.35 C ATOM 0 H THR A 70 0.916 -5.140 6.771 1.00 24.25 H new ATOM 0 HA THR A 70 1.983 -7.520 5.669 1.00 31.11 H new ATOM 0 HB THR A 70 3.683 -7.336 7.406 1.00 12.31 H new ATOM 0 HG1 THR A 70 3.189 -9.329 8.558 1.00 41.51 H new ATOM 0 HG21 THR A 70 3.107 -7.284 9.806 1.00 32.35 H new ATOM 0 HG22 THR A 70 2.521 -5.836 8.954 1.00 32.35 H new ATOM 0 HG23 THR A 70 1.385 -7.136 9.384 1.00 32.35 H new ATOM 1103 N ALA A 71 -0.032 -8.810 6.628 1.00 23.01 N ATOM 1104 CA ALA A 71 -1.323 -9.417 6.962 1.00 14.22 C ATOM 1105 C ALA A 71 -1.206 -10.307 8.209 1.00 62.21 C ATOM 1106 O ALA A 71 -0.429 -11.267 8.230 1.00 42.30 O ATOM 1107 CB ALA A 71 -1.842 -10.224 5.778 1.00 62.02 C ATOM 0 H ALA A 71 0.592 -9.419 6.099 1.00 23.01 H new ATOM 0 HA ALA A 71 -2.032 -8.619 7.184 1.00 14.22 H new ATOM 0 HB1 ALA A 71 -2.802 -10.671 6.035 1.00 62.02 H new ATOM 0 HB2 ALA A 71 -1.967 -9.567 4.917 1.00 62.02 H new ATOM 0 HB3 ALA A 71 -1.129 -11.011 5.534 1.00 62.02 H new