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 Single : A 19 LYS NZ :NH3+ 164:sc= -0.0634 (180deg=-0.315) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc= -0.292 F(o=-1.8!,f=-0.29) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.449 USER MOD Single : A 37 LYS NZ :NH3+ -116:sc= 0.472 (180deg=-0.457) USER MOD Single : A 43 THR OG1 : rot 176:sc= -0.811 USER MOD Single : A 48 SER OG : rot 180:sc= 0.156 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.577 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.3) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0615 X(o=-0.061,f=-0.16) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 273 N ARG A 18 -8.864 -9.814 -0.250 1.00 42.01 N ATOM 274 CA ARG A 18 -7.811 -9.805 0.784 1.00 12.34 C ATOM 275 C ARG A 18 -7.333 -8.379 1.137 1.00 30.53 C ATOM 276 O ARG A 18 -7.255 -7.499 0.273 1.00 14.15 O ATOM 277 CB ARG A 18 -6.605 -10.654 0.333 1.00 50.34 C ATOM 278 CG ARG A 18 -5.896 -10.138 -0.925 1.00 52.32 C ATOM 279 CD ARG A 18 -6.699 -10.409 -2.194 1.00 34.33 C ATOM 280 NE ARG A 18 -6.138 -9.744 -3.367 1.00 12.41 N ATOM 281 CZ ARG A 18 -6.236 -10.205 -4.584 1.00 3.53 C ATOM 282 NH1 ARG A 18 -6.804 -11.346 -4.813 1.00 52.33 N ATOM 283 NH2 ARG A 18 -5.750 -9.530 -5.572 1.00 33.24 N ATOM 0 HA ARG A 18 -8.255 -10.235 1.682 1.00 12.34 H new ATOM 0 HB2 ARG A 18 -5.883 -10.698 1.149 1.00 50.34 H new ATOM 0 HB3 ARG A 18 -6.943 -11.674 0.151 1.00 50.34 H new ATOM 0 HG2 ARG A 18 -5.724 -9.066 -0.829 1.00 52.32 H new ATOM 0 HG3 ARG A 18 -4.918 -10.612 -1.008 1.00 52.32 H new ATOM 0 HD2 ARG A 18 -6.736 -11.484 -2.373 1.00 34.33 H new ATOM 0 HD3 ARG A 18 -7.726 -10.074 -2.048 1.00 34.33 H new ATOM 0 HE ARG A 18 -5.639 -8.866 -3.226 1.00 12.41 H new ATOM 0 HH11 ARG A 18 -7.180 -11.893 -4.039 1.00 52.33 H new ATOM 0 HH12 ARG A 18 -6.876 -11.698 -5.768 1.00 52.33 H new ATOM 0 HH21 ARG A 18 -5.289 -8.636 -5.401 1.00 33.24 H new ATOM 0 HH22 ARG A 18 -5.827 -9.891 -6.523 1.00 33.24 H new ATOM 297 N LYS A 19 -6.992 -8.172 2.409 1.00 32.13 N ATOM 298 CA LYS A 19 -6.576 -6.852 2.907 1.00 45.24 C ATOM 299 C LYS A 19 -5.362 -6.958 3.842 1.00 61.34 C ATOM 300 O LYS A 19 -5.184 -7.957 4.542 1.00 15.55 O ATOM 301 CB LYS A 19 -7.744 -6.171 3.641 1.00 44.20 C ATOM 302 CG LYS A 19 -8.950 -5.898 2.746 1.00 2.22 C ATOM 303 CD LYS A 19 -10.136 -5.339 3.524 1.00 23.14 C ATOM 304 CE LYS A 19 -11.340 -5.110 2.614 1.00 1.34 C ATOM 305 NZ LYS A 19 -11.770 -6.365 1.935 1.00 11.25 N ATOM 0 H LYS A 19 -6.994 -8.903 3.120 1.00 32.13 H new ATOM 0 HA LYS A 19 -6.286 -6.249 2.047 1.00 45.24 H new ATOM 0 HB2 LYS A 19 -8.055 -6.801 4.474 1.00 44.20 H new ATOM 0 HB3 LYS A 19 -7.396 -5.229 4.066 1.00 44.20 H new ATOM 0 HG2 LYS A 19 -8.667 -5.193 1.964 1.00 2.22 H new ATOM 0 HG3 LYS A 19 -9.247 -6.822 2.250 1.00 2.22 H new ATOM 0 HD2 LYS A 19 -10.407 -6.030 4.322 1.00 23.14 H new ATOM 0 HD3 LYS A 19 -9.852 -4.399 3.998 1.00 23.14 H new ATOM 0 HE2 LYS A 19 -12.168 -4.713 3.201 1.00 1.34 H new ATOM 0 HE3 LYS A 19 -11.091 -4.359 1.865 1.00 1.34 H new ATOM 0 HZ1 LYS A 19 -12.728 -6.241 1.550 1.00 11.25 H new ATOM 0 HZ2 LYS A 19 -11.111 -6.584 1.161 1.00 11.25 H new ATOM 0 HZ3 LYS A 19 -11.771 -7.147 2.620 1.00 11.25 H new ATOM 319 N VAL A 20 -4.529 -5.919 3.852 1.00 31.31 N ATOM 320 CA VAL A 20 -3.325 -5.891 4.691 1.00 3.42 C ATOM 321 C VAL A 20 -3.299 -4.644 5.594 1.00 24.53 C ATOM 322 O VAL A 20 -3.791 -3.580 5.217 1.00 42.22 O ATOM 323 CB VAL A 20 -2.034 -5.928 3.828 1.00 63.44 C ATOM 324 CG1 VAL A 20 -1.934 -7.243 3.055 1.00 40.03 C ATOM 325 CG2 VAL A 20 -1.977 -4.737 2.873 1.00 42.12 C ATOM 0 H VAL A 20 -4.664 -5.080 3.287 1.00 31.31 H new ATOM 0 HA VAL A 20 -3.357 -6.781 5.319 1.00 3.42 H new ATOM 0 HB VAL A 20 -1.180 -5.861 4.502 1.00 63.44 H new ATOM 0 HG11 VAL A 20 -1.022 -7.246 2.458 1.00 40.03 H new ATOM 0 HG12 VAL A 20 -1.911 -8.077 3.757 1.00 40.03 H new ATOM 0 HG13 VAL A 20 -2.798 -7.346 2.398 1.00 40.03 H new ATOM 0 HG21 VAL A 20 -1.063 -4.788 2.281 1.00 42.12 H new ATOM 0 HG22 VAL A 20 -2.841 -4.761 2.209 1.00 42.12 H new ATOM 0 HG23 VAL A 20 -1.986 -3.810 3.446 1.00 42.12 H new ATOM 335 N ARG A 21 -2.733 -4.782 6.791 1.00 1.12 N ATOM 336 CA ARG A 21 -2.636 -3.661 7.734 1.00 63.43 C ATOM 337 C ARG A 21 -1.282 -2.946 7.595 1.00 25.50 C ATOM 338 O ARG A 21 -0.236 -3.595 7.501 1.00 43.15 O ATOM 339 CB ARG A 21 -2.807 -4.164 9.176 1.00 14.20 C ATOM 340 CG ARG A 21 -3.104 -3.052 10.181 1.00 0.32 C ATOM 341 CD ARG A 21 -3.009 -3.542 11.624 1.00 12.43 C ATOM 342 NE ARG A 21 -1.623 -3.641 12.079 1.00 73.32 N ATOM 343 CZ ARG A 21 -1.054 -4.736 12.499 1.00 24.45 C ATOM 344 NH1 ARG A 21 -1.708 -5.851 12.549 1.00 21.55 N ATOM 345 NH2 ARG A 21 0.177 -4.705 12.883 1.00 4.21 N ATOM 0 H ARG A 21 -2.334 -5.656 7.134 1.00 1.12 H new ATOM 0 HA ARG A 21 -3.432 -2.953 7.501 1.00 63.43 H new ATOM 0 HB2 ARG A 21 -3.617 -4.893 9.204 1.00 14.20 H new ATOM 0 HB3 ARG A 21 -1.899 -4.684 9.480 1.00 14.20 H new ATOM 0 HG2 ARG A 21 -2.403 -2.231 10.030 1.00 0.32 H new ATOM 0 HG3 ARG A 21 -4.103 -2.656 9.998 1.00 0.32 H new ATOM 0 HD2 ARG A 21 -3.556 -2.860 12.275 1.00 12.43 H new ATOM 0 HD3 ARG A 21 -3.489 -4.517 11.708 1.00 12.43 H new ATOM 0 HE ARG A 21 -1.060 -2.791 12.067 1.00 73.32 H new ATOM 0 HH11 ARG A 21 -2.685 -5.883 12.257 1.00 21.55 H new ATOM 0 HH12 ARG A 21 -1.247 -6.698 12.880 1.00 21.55 H new ATOM 0 HH21 ARG A 21 0.698 -3.828 12.857 1.00 4.21 H new ATOM 0 HH22 ARG A 21 0.630 -5.557 13.213 1.00 4.21 H new ATOM 359 N ALA A 22 -1.298 -1.618 7.582 1.00 4.14 N ATOM 360 CA ALA A 22 -0.059 -0.837 7.499 1.00 52.13 C ATOM 361 C ALA A 22 0.660 -0.775 8.855 1.00 12.02 C ATOM 362 O ALA A 22 0.097 -0.297 9.842 1.00 34.00 O ATOM 363 CB ALA A 22 -0.365 0.569 7.003 1.00 60.35 C ATOM 0 H ALA A 22 -2.149 -1.057 7.627 1.00 4.14 H new ATOM 0 HA ALA A 22 0.606 -1.334 6.793 1.00 52.13 H new ATOM 0 HB1 ALA A 22 0.560 1.143 6.944 1.00 60.35 H new ATOM 0 HB2 ALA A 22 -0.822 0.515 6.015 1.00 60.35 H new ATOM 0 HB3 ALA A 22 -1.052 1.057 7.694 1.00 60.35 H new ATOM 369 N ILE A 23 1.903 -1.255 8.900 1.00 1.22 N ATOM 370 CA ILE A 23 2.718 -1.185 10.122 1.00 11.31 C ATOM 371 C ILE A 23 3.613 0.062 10.125 1.00 23.52 C ATOM 372 O ILE A 23 3.940 0.601 11.182 1.00 52.15 O ATOM 373 CB ILE A 23 3.589 -2.457 10.319 1.00 22.24 C ATOM 374 CG1 ILE A 23 4.458 -2.730 9.079 1.00 41.35 C ATOM 375 CG2 ILE A 23 2.704 -3.664 10.639 1.00 20.21 C ATOM 376 CD1 ILE A 23 5.348 -3.954 9.206 1.00 61.43 C ATOM 0 H ILE A 23 2.370 -1.696 8.108 1.00 1.22 H new ATOM 0 HA ILE A 23 2.019 -1.121 10.956 1.00 11.31 H new ATOM 0 HB ILE A 23 4.258 -2.285 11.162 1.00 22.24 H new ATOM 0 HG12 ILE A 23 3.808 -2.854 8.213 1.00 41.35 H new ATOM 0 HG13 ILE A 23 5.083 -1.858 8.886 1.00 41.35 H new ATOM 0 HG21 ILE A 23 3.328 -4.547 10.774 1.00 20.21 H new ATOM 0 HG22 ILE A 23 2.144 -3.472 11.554 1.00 20.21 H new ATOM 0 HG23 ILE A 23 2.009 -3.834 9.817 1.00 20.21 H new ATOM 0 HD11 ILE A 23 5.928 -4.078 8.292 1.00 61.43 H new ATOM 0 HD12 ILE A 23 6.025 -3.826 10.051 1.00 61.43 H new ATOM 0 HD13 ILE A 23 4.731 -4.838 9.367 1.00 61.43 H new ATOM 388 N TYR A 24 4.003 0.516 8.935 1.00 12.52 N ATOM 389 CA TYR A 24 4.796 1.744 8.792 1.00 4.42 C ATOM 390 C TYR A 24 4.155 2.691 7.767 1.00 5.22 C ATOM 391 O TYR A 24 3.559 2.246 6.784 1.00 64.13 O ATOM 392 CB TYR A 24 6.236 1.419 8.371 1.00 43.44 C ATOM 393 CG TYR A 24 6.975 0.526 9.352 1.00 64.21 C ATOM 394 CD1 TYR A 24 7.165 0.922 10.671 1.00 70.42 C ATOM 395 CD2 TYR A 24 7.471 -0.716 8.962 1.00 3.40 C ATOM 396 CE1 TYR A 24 7.832 0.112 11.569 1.00 41.52 C ATOM 397 CE2 TYR A 24 8.139 -1.529 9.857 1.00 62.34 C ATOM 398 CZ TYR A 24 8.315 -1.111 11.157 1.00 75.43 C ATOM 399 OH TYR A 24 8.984 -1.922 12.050 1.00 65.31 O ATOM 0 H TYR A 24 3.784 0.054 8.052 1.00 12.52 H new ATOM 0 HA TYR A 24 4.818 2.240 9.763 1.00 4.42 H new ATOM 0 HB2 TYR A 24 6.219 0.934 7.395 1.00 43.44 H new ATOM 0 HB3 TYR A 24 6.789 2.351 8.254 1.00 43.44 H new ATOM 0 HD1 TYR A 24 6.785 1.878 10.999 1.00 70.42 H new ATOM 0 HD2 TYR A 24 7.331 -1.048 7.944 1.00 3.40 H new ATOM 0 HE1 TYR A 24 7.974 0.436 12.589 1.00 41.52 H new ATOM 0 HE2 TYR A 24 8.521 -2.488 9.539 1.00 62.34 H new ATOM 0 HH TYR A 24 9.258 -2.748 11.600 1.00 65.31 H new ATOM 409 N ASP A 25 4.276 3.993 8.004 1.00 33.14 N ATOM 410 CA ASP A 25 3.710 4.996 7.100 1.00 30.50 C ATOM 411 C ASP A 25 4.606 5.220 5.877 1.00 31.24 C ATOM 412 O ASP A 25 5.825 5.035 5.936 1.00 11.43 O ATOM 413 CB ASP A 25 3.504 6.317 7.844 1.00 21.40 C ATOM 414 CG ASP A 25 4.794 6.860 8.423 1.00 1.45 C ATOM 415 OD1 ASP A 25 5.209 6.385 9.500 1.00 13.15 O ATOM 416 OD2 ASP A 25 5.405 7.755 7.797 1.00 62.12 O ATOM 0 H ASP A 25 4.760 4.381 8.813 1.00 33.14 H new ATOM 0 HA ASP A 25 2.748 4.623 6.749 1.00 30.50 H new ATOM 0 HB2 ASP A 25 3.077 7.052 7.162 1.00 21.40 H new ATOM 0 HB3 ASP A 25 2.782 6.170 8.647 1.00 21.40 H new ATOM 421 N PHE A 26 3.997 5.626 4.769 1.00 33.51 N ATOM 422 CA PHE A 26 4.741 5.905 3.545 1.00 55.34 C ATOM 423 C PHE A 26 4.013 6.922 2.668 1.00 11.34 C ATOM 424 O PHE A 26 2.883 6.694 2.232 1.00 75.15 O ATOM 425 CB PHE A 26 4.983 4.611 2.756 1.00 61.51 C ATOM 426 CG PHE A 26 5.756 4.818 1.474 1.00 54.31 C ATOM 427 CD1 PHE A 26 7.141 4.920 1.489 1.00 34.33 C ATOM 428 CD2 PHE A 26 5.099 4.906 0.254 1.00 65.14 C ATOM 429 CE1 PHE A 26 7.850 5.108 0.318 1.00 55.21 C ATOM 430 CE2 PHE A 26 5.805 5.092 -0.918 1.00 71.12 C ATOM 431 CZ PHE A 26 7.180 5.193 -0.885 1.00 42.44 C ATOM 0 H PHE A 26 2.990 5.770 4.692 1.00 33.51 H new ATOM 0 HA PHE A 26 5.701 6.332 3.834 1.00 55.34 H new ATOM 0 HB2 PHE A 26 5.525 3.907 3.387 1.00 61.51 H new ATOM 0 HB3 PHE A 26 4.022 4.154 2.521 1.00 61.51 H new ATOM 0 HD1 PHE A 26 7.671 4.852 2.428 1.00 34.33 H new ATOM 0 HD2 PHE A 26 4.022 4.828 0.221 1.00 65.14 H new ATOM 0 HE1 PHE A 26 8.927 5.188 0.344 1.00 55.21 H new ATOM 0 HE2 PHE A 26 5.281 5.158 -1.860 1.00 71.12 H new ATOM 0 HZ PHE A 26 7.733 5.339 -1.801 1.00 42.44 H new ATOM 441 N GLU A 27 4.663 8.051 2.429 1.00 41.21 N ATOM 442 CA GLU A 27 4.170 9.031 1.468 1.00 3.21 C ATOM 443 C GLU A 27 4.657 8.637 0.062 1.00 4.34 C ATOM 444 O GLU A 27 5.856 8.428 -0.139 1.00 52.41 O ATOM 445 CB GLU A 27 4.679 10.436 1.834 1.00 40.04 C ATOM 446 CG GLU A 27 3.720 11.562 1.453 1.00 52.10 C ATOM 447 CD GLU A 27 2.832 12.009 2.613 1.00 23.44 C ATOM 448 OE1 GLU A 27 2.080 11.176 3.170 1.00 41.12 O ATOM 449 OE2 GLU A 27 2.896 13.202 2.980 1.00 24.33 O ATOM 0 H GLU A 27 5.535 8.313 2.888 1.00 41.21 H new ATOM 0 HA GLU A 27 3.080 9.047 1.486 1.00 3.21 H new ATOM 0 HB2 GLU A 27 4.863 10.477 2.908 1.00 40.04 H new ATOM 0 HB3 GLU A 27 5.636 10.605 1.340 1.00 40.04 H new ATOM 0 HG2 GLU A 27 4.295 12.415 1.093 1.00 52.10 H new ATOM 0 HG3 GLU A 27 3.090 11.231 0.627 1.00 52.10 H new ATOM 456 N ALA A 28 3.738 8.528 -0.901 1.00 53.42 N ATOM 457 CA ALA A 28 4.074 8.046 -2.251 1.00 42.00 C ATOM 458 C ALA A 28 5.293 8.766 -2.846 1.00 74.51 C ATOM 459 O ALA A 28 5.242 9.963 -3.139 1.00 40.24 O ATOM 460 CB ALA A 28 2.874 8.194 -3.181 1.00 24.41 C ATOM 0 H ALA A 28 2.754 8.766 -0.775 1.00 53.42 H new ATOM 0 HA ALA A 28 4.335 6.992 -2.156 1.00 42.00 H new ATOM 0 HB1 ALA A 28 3.138 7.834 -4.175 1.00 24.41 H new ATOM 0 HB2 ALA A 28 2.039 7.611 -2.793 1.00 24.41 H new ATOM 0 HB3 ALA A 28 2.587 9.244 -3.240 1.00 24.41 H new ATOM 466 N ALA A 29 6.398 8.035 -3.011 1.00 2.22 N ATOM 467 CA ALA A 29 7.608 8.595 -3.617 1.00 71.31 C ATOM 468 C ALA A 29 7.329 9.053 -5.056 1.00 13.24 C ATOM 469 O ALA A 29 7.700 10.158 -5.456 1.00 63.12 O ATOM 470 CB ALA A 29 8.748 7.583 -3.581 1.00 11.32 C ATOM 0 H ALA A 29 6.480 7.057 -2.734 1.00 2.22 H new ATOM 0 HA ALA A 29 7.911 9.466 -3.035 1.00 71.31 H new ATOM 0 HB1 ALA A 29 9.637 8.020 -4.036 1.00 11.32 H new ATOM 0 HB2 ALA A 29 8.964 7.315 -2.547 1.00 11.32 H new ATOM 0 HB3 ALA A 29 8.459 6.689 -4.134 1.00 11.32 H new ATOM 476 N GLU A 30 6.678 8.186 -5.829 1.00 24.05 N ATOM 477 CA GLU A 30 6.192 8.538 -7.167 1.00 4.42 C ATOM 478 C GLU A 30 4.657 8.528 -7.214 1.00 51.12 C ATOM 479 O GLU A 30 4.007 7.878 -6.399 1.00 23.24 O ATOM 480 CB GLU A 30 6.760 7.580 -8.222 1.00 10.52 C ATOM 481 CG GLU A 30 8.279 7.630 -8.340 1.00 14.24 C ATOM 482 CD GLU A 30 8.806 6.839 -9.525 1.00 34.33 C ATOM 483 OE1 GLU A 30 8.807 7.383 -10.650 1.00 4.12 O ATOM 484 OE2 GLU A 30 9.220 5.674 -9.342 1.00 41.32 O ATOM 0 H GLU A 30 6.472 7.226 -5.551 1.00 24.05 H new ATOM 0 HA GLU A 30 6.537 9.547 -7.392 1.00 4.42 H new ATOM 0 HB2 GLU A 30 6.457 6.562 -7.977 1.00 10.52 H new ATOM 0 HB3 GLU A 30 6.321 7.819 -9.191 1.00 10.52 H new ATOM 0 HG2 GLU A 30 8.597 8.668 -8.432 1.00 14.24 H new ATOM 0 HG3 GLU A 30 8.723 7.241 -7.424 1.00 14.24 H new ATOM 491 N ASP A 31 4.087 9.237 -8.185 1.00 4.23 N ATOM 492 CA ASP A 31 2.629 9.411 -8.282 1.00 71.34 C ATOM 493 C ASP A 31 1.873 8.081 -8.488 1.00 45.42 C ATOM 494 O ASP A 31 0.676 7.993 -8.214 1.00 51.23 O ATOM 495 CB ASP A 31 2.308 10.374 -9.421 1.00 71.43 C ATOM 496 CG ASP A 31 3.027 11.700 -9.255 1.00 53.40 C ATOM 497 OD1 ASP A 31 2.463 12.609 -8.616 1.00 54.41 O ATOM 498 OD2 ASP A 31 4.168 11.830 -9.750 1.00 52.11 O ATOM 0 H ASP A 31 4.612 9.706 -8.924 1.00 4.23 H new ATOM 0 HA ASP A 31 2.289 9.819 -7.330 1.00 71.34 H new ATOM 0 HB2 ASP A 31 2.593 9.922 -10.371 1.00 71.43 H new ATOM 0 HB3 ASP A 31 1.232 10.546 -9.460 1.00 71.43 H new ATOM 503 N ASN A 32 2.569 7.057 -8.981 1.00 42.14 N ATOM 504 CA ASN A 32 1.961 5.733 -9.199 1.00 45.20 C ATOM 505 C ASN A 32 1.935 4.896 -7.902 1.00 62.45 C ATOM 506 O ASN A 32 1.394 3.789 -7.875 1.00 3.21 O ATOM 507 CB ASN A 32 2.731 4.978 -10.287 1.00 41.43 C ATOM 508 CG ASN A 32 4.192 4.787 -9.926 1.00 54.34 C ATOM 509 OD1 ASN A 32 4.487 3.730 -9.198 1.00 63.53 O flip ATOM 510 ND2 ASN A 32 5.047 5.595 -10.280 1.00 62.50 N flip ATOM 0 H ASN A 32 3.554 7.113 -9.239 1.00 42.14 H new ATOM 0 HA ASN A 32 0.930 5.889 -9.518 1.00 45.20 H new ATOM 0 HB2 ASN A 32 2.268 4.005 -10.449 1.00 41.43 H new ATOM 0 HB3 ASN A 32 2.659 5.525 -11.227 1.00 41.43 H new ATOM 0 HD21 ASN A 32 4.783 6.403 -10.844 1.00 62.50 H new ATOM 0 HD22 ASN A 32 6.021 5.458 -10.010 1.00 62.50 H new ATOM 517 N GLU A 33 2.543 5.425 -6.845 1.00 42.41 N ATOM 518 CA GLU A 33 2.590 4.759 -5.537 1.00 4.14 C ATOM 519 C GLU A 33 1.458 5.250 -4.620 1.00 2.20 C ATOM 520 O GLU A 33 0.814 6.263 -4.899 1.00 12.13 O ATOM 521 CB GLU A 33 3.960 4.973 -4.879 1.00 74.40 C ATOM 522 CG GLU A 33 5.107 4.317 -5.645 1.00 2.12 C ATOM 523 CD GLU A 33 6.461 4.534 -4.990 1.00 14.52 C ATOM 524 OE1 GLU A 33 6.764 3.841 -3.998 1.00 32.33 O ATOM 525 OE2 GLU A 33 7.228 5.400 -5.466 1.00 74.21 O ATOM 0 H GLU A 33 3.019 6.327 -6.865 1.00 42.41 H new ATOM 0 HA GLU A 33 2.444 3.690 -5.695 1.00 4.14 H new ATOM 0 HB2 GLU A 33 4.152 6.043 -4.796 1.00 74.40 H new ATOM 0 HB3 GLU A 33 3.935 4.574 -3.865 1.00 74.40 H new ATOM 0 HG2 GLU A 33 4.917 3.247 -5.727 1.00 2.12 H new ATOM 0 HG3 GLU A 33 5.133 4.714 -6.660 1.00 2.12 H new ATOM 532 N LEU A 34 1.214 4.531 -3.529 1.00 1.11 N ATOM 533 CA LEU A 34 0.067 4.823 -2.661 1.00 25.12 C ATOM 534 C LEU A 34 0.500 5.588 -1.395 1.00 42.25 C ATOM 535 O LEU A 34 1.296 5.098 -0.596 1.00 51.32 O ATOM 536 CB LEU A 34 -0.634 3.506 -2.263 1.00 61.14 C ATOM 537 CG LEU A 34 -2.171 3.567 -2.125 1.00 24.21 C ATOM 538 CD1 LEU A 34 -2.716 2.223 -1.657 1.00 72.13 C ATOM 539 CD2 LEU A 34 -2.615 4.685 -1.184 1.00 52.41 C ATOM 0 H LEU A 34 1.788 3.746 -3.222 1.00 1.11 H new ATOM 0 HA LEU A 34 -0.626 5.455 -3.216 1.00 25.12 H new ATOM 0 HB2 LEU A 34 -0.386 2.748 -3.006 1.00 61.14 H new ATOM 0 HB3 LEU A 34 -0.218 3.170 -1.313 1.00 61.14 H new ATOM 0 HG LEU A 34 -2.581 3.791 -3.110 1.00 24.21 H new ATOM 0 HD11 LEU A 34 -3.800 2.282 -1.565 1.00 72.13 H new ATOM 0 HD12 LEU A 34 -2.455 1.452 -2.382 1.00 72.13 H new ATOM 0 HD13 LEU A 34 -2.283 1.972 -0.689 1.00 72.13 H new ATOM 0 HD21 LEU A 34 -3.703 4.692 -1.116 1.00 52.41 H new ATOM 0 HD22 LEU A 34 -2.190 4.518 -0.194 1.00 52.41 H new ATOM 0 HD23 LEU A 34 -2.269 5.644 -1.570 1.00 52.41 H new ATOM 551 N THR A 35 -0.046 6.792 -1.226 1.00 13.20 N ATOM 552 CA THR A 35 0.211 7.614 -0.034 1.00 21.41 C ATOM 553 C THR A 35 -0.759 7.267 1.104 1.00 42.01 C ATOM 554 O THR A 35 -1.977 7.385 0.949 1.00 70.24 O ATOM 555 CB THR A 35 0.075 9.126 -0.354 1.00 24.12 C ATOM 556 OG1 THR A 35 1.112 9.543 -1.254 1.00 32.54 O ATOM 557 CG2 THR A 35 0.137 9.974 0.913 1.00 1.02 C ATOM 0 H THR A 35 -0.674 7.226 -1.902 1.00 13.20 H new ATOM 0 HA THR A 35 1.232 7.398 0.280 1.00 21.41 H new ATOM 0 HB THR A 35 -0.898 9.273 -0.822 1.00 24.12 H new ATOM 0 HG1 THR A 35 1.012 10.498 -1.448 1.00 32.54 H new ATOM 0 HG21 THR A 35 0.039 11.027 0.651 1.00 1.02 H new ATOM 0 HG22 THR A 35 -0.675 9.689 1.582 1.00 1.02 H new ATOM 0 HG23 THR A 35 1.092 9.812 1.413 1.00 1.02 H new ATOM 565 N PHE A 36 -0.217 6.832 2.240 1.00 1.13 N ATOM 566 CA PHE A 36 -1.029 6.559 3.435 1.00 62.03 C ATOM 567 C PHE A 36 -0.161 6.475 4.705 1.00 4.40 C ATOM 568 O PHE A 36 1.069 6.582 4.648 1.00 30.45 O ATOM 569 CB PHE A 36 -1.849 5.267 3.259 1.00 15.05 C ATOM 570 CG PHE A 36 -1.021 4.024 3.030 1.00 41.43 C ATOM 571 CD1 PHE A 36 -0.597 3.680 1.755 1.00 65.21 C ATOM 572 CD2 PHE A 36 -0.679 3.192 4.088 1.00 35.10 C ATOM 573 CE1 PHE A 36 0.150 2.540 1.539 1.00 73.54 C ATOM 574 CE2 PHE A 36 0.068 2.049 3.877 1.00 3.31 C ATOM 575 CZ PHE A 36 0.482 1.722 2.602 1.00 73.34 C ATOM 0 H PHE A 36 0.781 6.660 2.363 1.00 1.13 H new ATOM 0 HA PHE A 36 -1.718 7.395 3.556 1.00 62.03 H new ATOM 0 HB2 PHE A 36 -2.465 5.119 4.146 1.00 15.05 H new ATOM 0 HB3 PHE A 36 -2.529 5.395 2.417 1.00 15.05 H new ATOM 0 HD1 PHE A 36 -0.855 4.313 0.919 1.00 65.21 H new ATOM 0 HD2 PHE A 36 -1.001 3.442 5.088 1.00 35.10 H new ATOM 0 HE1 PHE A 36 0.475 2.287 0.540 1.00 73.54 H new ATOM 0 HE2 PHE A 36 0.328 1.412 4.709 1.00 3.31 H new ATOM 0 HZ PHE A 36 1.065 0.828 2.435 1.00 73.34 H new ATOM 585 N LYS A 37 -0.810 6.287 5.850 1.00 4.35 N ATOM 586 CA LYS A 37 -0.119 6.241 7.144 1.00 44.33 C ATOM 587 C LYS A 37 -0.314 4.892 7.858 1.00 4.32 C ATOM 588 O LYS A 37 -1.171 4.088 7.482 1.00 33.42 O ATOM 589 CB LYS A 37 -0.606 7.393 8.042 1.00 32.21 C ATOM 590 CG LYS A 37 -0.225 8.784 7.532 1.00 64.31 C ATOM 591 CD LYS A 37 1.290 8.957 7.443 1.00 53.41 C ATOM 592 CE LYS A 37 1.692 10.376 7.048 1.00 71.54 C ATOM 593 NZ LYS A 37 1.212 10.754 5.689 1.00 22.35 N ATOM 0 H LYS A 37 -1.820 6.163 5.913 1.00 4.35 H new ATOM 0 HA LYS A 37 0.948 6.354 6.951 1.00 44.33 H new ATOM 0 HB2 LYS A 37 -1.691 7.335 8.133 1.00 32.21 H new ATOM 0 HB3 LYS A 37 -0.195 7.259 9.042 1.00 32.21 H new ATOM 0 HG2 LYS A 37 -0.668 8.945 6.549 1.00 64.31 H new ATOM 0 HG3 LYS A 37 -0.639 9.542 8.197 1.00 64.31 H new ATOM 0 HD2 LYS A 37 1.738 8.710 8.405 1.00 53.41 H new ATOM 0 HD3 LYS A 37 1.691 8.253 6.714 1.00 53.41 H new ATOM 0 HE2 LYS A 37 1.292 11.079 7.778 1.00 71.54 H new ATOM 0 HE3 LYS A 37 2.778 10.464 7.083 1.00 71.54 H new ATOM 0 HZ1 LYS A 37 2.028 10.920 5.066 1.00 22.35 H new ATOM 0 HZ2 LYS A 37 0.631 9.985 5.300 1.00 22.35 H new ATOM 0 HZ3 LYS A 37 0.642 11.621 5.751 1.00 22.35 H new ATOM 607 N ALA A 38 0.490 4.658 8.894 1.00 72.40 N ATOM 608 CA ALA A 38 0.437 3.407 9.656 1.00 14.02 C ATOM 609 C ALA A 38 -0.893 3.255 10.413 1.00 61.15 C ATOM 610 O ALA A 38 -1.393 4.206 11.018 1.00 13.11 O ATOM 611 CB ALA A 38 1.612 3.331 10.626 1.00 4.35 C ATOM 0 H ALA A 38 1.190 5.321 9.228 1.00 72.40 H new ATOM 0 HA ALA A 38 0.505 2.583 8.945 1.00 14.02 H new ATOM 0 HB1 ALA A 38 1.562 2.397 11.186 1.00 4.35 H new ATOM 0 HB2 ALA A 38 2.548 3.369 10.068 1.00 4.35 H new ATOM 0 HB3 ALA A 38 1.568 4.172 11.318 1.00 4.35 H new ATOM 617 N GLY A 39 -1.463 2.050 10.376 1.00 31.51 N ATOM 618 CA GLY A 39 -2.742 1.794 11.033 1.00 23.03 C ATOM 619 C GLY A 39 -3.887 1.582 10.047 1.00 55.12 C ATOM 620 O GLY A 39 -4.854 0.883 10.350 1.00 22.54 O ATOM 0 H GLY A 39 -1.061 1.242 9.901 1.00 31.51 H new ATOM 0 HA2 GLY A 39 -2.648 0.913 11.667 1.00 23.03 H new ATOM 0 HA3 GLY A 39 -2.983 2.633 11.686 1.00 23.03 H new ATOM 624 N GLU A 40 -3.778 2.181 8.863 1.00 24.03 N ATOM 625 CA GLU A 40 -4.828 2.073 7.840 1.00 53.34 C ATOM 626 C GLU A 40 -4.849 0.687 7.170 1.00 31.24 C ATOM 627 O GLU A 40 -3.835 -0.018 7.126 1.00 25.01 O ATOM 628 CB GLU A 40 -4.649 3.173 6.782 1.00 20.14 C ATOM 629 CG GLU A 40 -4.797 4.587 7.338 1.00 4.21 C ATOM 630 CD GLU A 40 -4.673 5.672 6.274 1.00 4.21 C ATOM 631 OE1 GLU A 40 -5.611 5.828 5.460 1.00 12.14 O ATOM 632 OE2 GLU A 40 -3.652 6.388 6.255 1.00 32.33 O ATOM 0 H GLU A 40 -2.976 2.746 8.584 1.00 24.03 H new ATOM 0 HA GLU A 40 -5.787 2.203 8.342 1.00 53.34 H new ATOM 0 HB2 GLU A 40 -3.663 3.072 6.328 1.00 20.14 H new ATOM 0 HB3 GLU A 40 -5.382 3.025 5.989 1.00 20.14 H new ATOM 0 HG2 GLU A 40 -5.767 4.677 7.827 1.00 4.21 H new ATOM 0 HG3 GLU A 40 -4.038 4.750 8.103 1.00 4.21 H new ATOM 639 N ILE A 41 -6.020 0.298 6.660 1.00 65.44 N ATOM 640 CA ILE A 41 -6.188 -0.986 5.963 1.00 34.12 C ATOM 641 C ILE A 41 -6.109 -0.817 4.434 1.00 72.24 C ATOM 642 O ILE A 41 -6.844 -0.020 3.841 1.00 73.11 O ATOM 643 CB ILE A 41 -7.540 -1.656 6.331 1.00 21.42 C ATOM 644 CG1 ILE A 41 -7.598 -1.949 7.838 1.00 61.13 C ATOM 645 CG2 ILE A 41 -7.747 -2.938 5.527 1.00 73.23 C ATOM 646 CD1 ILE A 41 -6.527 -2.911 8.323 1.00 13.41 C ATOM 0 H ILE A 41 -6.872 0.855 6.716 1.00 65.44 H new ATOM 0 HA ILE A 41 -5.369 -1.627 6.290 1.00 34.12 H new ATOM 0 HB ILE A 41 -8.345 -0.965 6.080 1.00 21.42 H new ATOM 0 HG12 ILE A 41 -7.503 -1.010 8.384 1.00 61.13 H new ATOM 0 HG13 ILE A 41 -8.578 -2.361 8.080 1.00 61.13 H new ATOM 0 HG21 ILE A 41 -8.700 -3.390 5.802 1.00 73.23 H new ATOM 0 HG22 ILE A 41 -7.750 -2.703 4.463 1.00 73.23 H new ATOM 0 HG23 ILE A 41 -6.939 -3.637 5.742 1.00 73.23 H new ATOM 0 HD11 ILE A 41 -6.636 -3.066 9.396 1.00 13.41 H new ATOM 0 HD12 ILE A 41 -6.634 -3.865 7.806 1.00 13.41 H new ATOM 0 HD13 ILE A 41 -5.542 -2.494 8.115 1.00 13.41 H new ATOM 658 N ILE A 42 -5.219 -1.580 3.802 1.00 40.01 N ATOM 659 CA ILE A 42 -5.031 -1.523 2.350 1.00 23.21 C ATOM 660 C ILE A 42 -5.634 -2.762 1.663 1.00 41.30 C ATOM 661 O ILE A 42 -5.195 -3.889 1.904 1.00 24.43 O ATOM 662 CB ILE A 42 -3.525 -1.430 1.956 1.00 54.12 C ATOM 663 CG1 ILE A 42 -2.814 -0.264 2.679 1.00 2.40 C ATOM 664 CG2 ILE A 42 -3.375 -1.286 0.440 1.00 62.22 C ATOM 665 CD1 ILE A 42 -2.506 -0.525 4.141 1.00 22.14 C ATOM 0 H ILE A 42 -4.612 -2.250 4.275 1.00 40.01 H new ATOM 0 HA ILE A 42 -5.544 -0.622 2.014 1.00 23.21 H new ATOM 0 HB ILE A 42 -3.046 -2.357 2.273 1.00 54.12 H new ATOM 0 HG12 ILE A 42 -1.882 -0.044 2.158 1.00 2.40 H new ATOM 0 HG13 ILE A 42 -3.438 0.627 2.606 1.00 2.40 H new ATOM 0 HG21 ILE A 42 -2.318 -1.223 0.183 1.00 62.22 H new ATOM 0 HG22 ILE A 42 -3.817 -2.152 -0.053 1.00 62.22 H new ATOM 0 HG23 ILE A 42 -3.884 -0.381 0.108 1.00 62.22 H new ATOM 0 HD11 ILE A 42 -2.008 0.345 4.569 1.00 22.14 H new ATOM 0 HD12 ILE A 42 -3.434 -0.713 4.680 1.00 22.14 H new ATOM 0 HD13 ILE A 42 -1.854 -1.395 4.226 1.00 22.14 H new ATOM 677 N THR A 43 -6.640 -2.558 0.815 1.00 3.44 N ATOM 678 CA THR A 43 -7.191 -3.658 0.005 1.00 61.55 C ATOM 679 C THR A 43 -6.326 -3.868 -1.243 1.00 23.33 C ATOM 680 O THR A 43 -6.358 -3.059 -2.168 1.00 13.42 O ATOM 681 CB THR A 43 -8.653 -3.379 -0.436 1.00 63.43 C ATOM 682 OG1 THR A 43 -9.497 -3.209 0.712 1.00 45.04 O ATOM 683 CG2 THR A 43 -9.198 -4.517 -1.298 1.00 12.52 C ATOM 0 H THR A 43 -7.090 -1.655 0.667 1.00 3.44 H new ATOM 0 HA THR A 43 -7.187 -4.553 0.627 1.00 61.55 H new ATOM 0 HB THR A 43 -8.650 -2.463 -1.027 1.00 63.43 H new ATOM 0 HG1 THR A 43 -10.401 -2.969 0.420 1.00 45.04 H new ATOM 0 HG21 THR A 43 -10.224 -4.292 -1.591 1.00 12.52 H new ATOM 0 HG22 THR A 43 -8.581 -4.625 -2.190 1.00 12.52 H new ATOM 0 HG23 THR A 43 -9.179 -5.446 -0.729 1.00 12.52 H new ATOM 691 N VAL A 44 -5.556 -4.955 -1.276 1.00 3.24 N ATOM 692 CA VAL A 44 -4.600 -5.179 -2.369 1.00 33.23 C ATOM 693 C VAL A 44 -5.261 -5.815 -3.608 1.00 3.03 C ATOM 694 O VAL A 44 -5.667 -6.979 -3.597 1.00 54.44 O ATOM 695 CB VAL A 44 -3.384 -6.027 -1.905 1.00 72.02 C ATOM 696 CG1 VAL A 44 -3.828 -7.363 -1.316 1.00 34.12 C ATOM 697 CG2 VAL A 44 -2.396 -6.231 -3.055 1.00 14.24 C ATOM 0 H VAL A 44 -5.572 -5.689 -0.568 1.00 3.24 H new ATOM 0 HA VAL A 44 -4.237 -4.193 -2.661 1.00 33.23 H new ATOM 0 HB VAL A 44 -2.875 -5.476 -1.114 1.00 72.02 H new ATOM 0 HG11 VAL A 44 -2.952 -7.931 -1.002 1.00 34.12 H new ATOM 0 HG12 VAL A 44 -4.473 -7.185 -0.456 1.00 34.12 H new ATOM 0 HG13 VAL A 44 -4.376 -7.929 -2.070 1.00 34.12 H new ATOM 0 HG21 VAL A 44 -1.552 -6.827 -2.708 1.00 14.24 H new ATOM 0 HG22 VAL A 44 -2.894 -6.749 -3.875 1.00 14.24 H new ATOM 0 HG23 VAL A 44 -2.037 -5.262 -3.403 1.00 14.24 H new ATOM 707 N LEU A 45 -5.359 -5.028 -4.675 1.00 44.41 N ATOM 708 CA LEU A 45 -5.972 -5.466 -5.933 1.00 74.31 C ATOM 709 C LEU A 45 -5.002 -6.336 -6.751 1.00 33.41 C ATOM 710 O LEU A 45 -5.375 -7.392 -7.269 1.00 73.50 O ATOM 711 CB LEU A 45 -6.387 -4.235 -6.751 1.00 13.10 C ATOM 712 CG LEU A 45 -7.314 -3.243 -6.025 1.00 53.35 C ATOM 713 CD1 LEU A 45 -7.553 -2.004 -6.884 1.00 31.21 C ATOM 714 CD2 LEU A 45 -8.636 -3.912 -5.651 1.00 45.54 C ATOM 0 H LEU A 45 -5.017 -4.067 -4.696 1.00 44.41 H new ATOM 0 HA LEU A 45 -6.849 -6.069 -5.700 1.00 74.31 H new ATOM 0 HB2 LEU A 45 -5.486 -3.705 -7.061 1.00 13.10 H new ATOM 0 HB3 LEU A 45 -6.885 -4.574 -7.659 1.00 13.10 H new ATOM 0 HG LEU A 45 -6.824 -2.927 -5.104 1.00 53.35 H new ATOM 0 HD11 LEU A 45 -8.210 -1.315 -6.354 1.00 31.21 H new ATOM 0 HD12 LEU A 45 -6.601 -1.513 -7.088 1.00 31.21 H new ATOM 0 HD13 LEU A 45 -8.018 -2.298 -7.825 1.00 31.21 H new ATOM 0 HD21 LEU A 45 -9.276 -3.193 -5.139 1.00 45.54 H new ATOM 0 HD22 LEU A 45 -9.135 -4.263 -6.555 1.00 45.54 H new ATOM 0 HD23 LEU A 45 -8.442 -4.758 -4.992 1.00 45.54 H new ATOM 726 N ASP A 46 -3.757 -5.882 -6.860 1.00 40.02 N ATOM 727 CA ASP A 46 -2.725 -6.602 -7.618 1.00 55.10 C ATOM 728 C ASP A 46 -1.561 -7.032 -6.711 1.00 53.12 C ATOM 729 O ASP A 46 -0.686 -6.232 -6.389 1.00 5.01 O ATOM 730 CB ASP A 46 -2.195 -5.727 -8.763 1.00 41.42 C ATOM 731 CG ASP A 46 -3.240 -5.452 -9.831 1.00 21.31 C ATOM 732 OD1 ASP A 46 -4.197 -4.693 -9.563 1.00 41.21 O ATOM 733 OD2 ASP A 46 -3.110 -5.995 -10.949 1.00 63.30 O ATOM 0 H ASP A 46 -3.432 -5.015 -6.433 1.00 40.02 H new ATOM 0 HA ASP A 46 -3.185 -7.499 -8.032 1.00 55.10 H new ATOM 0 HB2 ASP A 46 -1.841 -4.780 -8.356 1.00 41.42 H new ATOM 0 HB3 ASP A 46 -1.336 -6.218 -9.221 1.00 41.42 H new ATOM 738 N ASP A 47 -1.564 -8.295 -6.291 1.00 21.12 N ATOM 739 CA ASP A 47 -0.482 -8.852 -5.466 1.00 24.05 C ATOM 740 C ASP A 47 0.391 -9.821 -6.286 1.00 2.14 C ATOM 741 O ASP A 47 1.106 -10.656 -5.733 1.00 51.44 O ATOM 742 CB ASP A 47 -1.078 -9.560 -4.241 1.00 51.03 C ATOM 743 CG ASP A 47 -1.971 -10.729 -4.621 1.00 70.12 C ATOM 744 OD1 ASP A 47 -3.014 -10.502 -5.273 1.00 72.21 O ATOM 745 OD2 ASP A 47 -1.639 -11.876 -4.262 1.00 3.10 O ATOM 0 H ASP A 47 -2.307 -8.960 -6.508 1.00 21.12 H new ATOM 0 HA ASP A 47 0.157 -8.037 -5.127 1.00 24.05 H new ATOM 0 HB2 ASP A 47 -0.270 -9.917 -3.603 1.00 51.03 H new ATOM 0 HB3 ASP A 47 -1.653 -8.843 -3.655 1.00 51.03 H new ATOM 750 N SER A 48 0.339 -9.673 -7.608 1.00 4.31 N ATOM 751 CA SER A 48 1.047 -10.565 -8.542 1.00 63.31 C ATOM 752 C SER A 48 2.552 -10.674 -8.242 1.00 63.32 C ATOM 753 O SER A 48 3.032 -11.709 -7.774 1.00 30.22 O ATOM 754 CB SER A 48 0.851 -10.071 -9.979 1.00 40.40 C ATOM 755 OG SER A 48 1.328 -8.741 -10.137 1.00 71.33 O ATOM 0 H SER A 48 -0.193 -8.934 -8.068 1.00 4.31 H new ATOM 0 HA SER A 48 0.618 -11.559 -8.416 1.00 63.31 H new ATOM 0 HB2 SER A 48 1.376 -10.732 -10.668 1.00 40.40 H new ATOM 0 HB3 SER A 48 -0.207 -10.114 -10.240 1.00 40.40 H new ATOM 0 HG SER A 48 1.192 -8.453 -11.064 1.00 71.33 H new ATOM 761 N ASP A 49 3.296 -9.612 -8.525 1.00 34.44 N ATOM 762 CA ASP A 49 4.745 -9.607 -8.322 1.00 2.24 C ATOM 763 C ASP A 49 5.119 -9.005 -6.957 1.00 21.32 C ATOM 764 O ASP A 49 4.707 -7.892 -6.636 1.00 13.21 O ATOM 765 CB ASP A 49 5.427 -8.820 -9.441 1.00 62.21 C ATOM 766 CG ASP A 49 5.197 -9.445 -10.803 1.00 44.52 C ATOM 767 OD1 ASP A 49 5.888 -10.433 -11.135 1.00 43.43 O ATOM 768 OD2 ASP A 49 4.332 -8.949 -11.554 1.00 74.14 O ATOM 0 H ASP A 49 2.921 -8.739 -8.897 1.00 34.44 H new ATOM 0 HA ASP A 49 5.090 -10.641 -8.341 1.00 2.24 H new ATOM 0 HB2 ASP A 49 5.051 -7.797 -9.444 1.00 62.21 H new ATOM 0 HB3 ASP A 49 6.498 -8.766 -9.244 1.00 62.21 H new ATOM 773 N PRO A 50 5.927 -9.721 -6.147 1.00 13.33 N ATOM 774 CA PRO A 50 6.351 -9.248 -4.810 1.00 20.21 C ATOM 775 C PRO A 50 7.036 -7.865 -4.832 1.00 10.21 C ATOM 776 O PRO A 50 7.163 -7.212 -3.795 1.00 71.21 O ATOM 777 CB PRO A 50 7.342 -10.329 -4.350 1.00 72.14 C ATOM 778 CG PRO A 50 6.953 -11.550 -5.118 1.00 41.33 C ATOM 779 CD PRO A 50 6.484 -11.055 -6.458 1.00 54.30 C ATOM 0 HA PRO A 50 5.494 -9.113 -4.150 1.00 20.21 H new ATOM 0 HB2 PRO A 50 8.371 -10.039 -4.562 1.00 72.14 H new ATOM 0 HB3 PRO A 50 7.273 -10.498 -3.275 1.00 72.14 H new ATOM 0 HG2 PRO A 50 7.798 -12.231 -5.226 1.00 41.33 H new ATOM 0 HG3 PRO A 50 6.164 -12.100 -4.606 1.00 41.33 H new ATOM 0 HD2 PRO A 50 7.303 -10.993 -7.174 1.00 54.30 H new ATOM 0 HD3 PRO A 50 5.732 -11.715 -6.891 1.00 54.30 H new ATOM 787 N ASN A 51 7.485 -7.432 -6.013 1.00 30.35 N ATOM 788 CA ASN A 51 8.137 -6.124 -6.162 1.00 61.13 C ATOM 789 C ASN A 51 7.110 -4.992 -6.334 1.00 51.14 C ATOM 790 O ASN A 51 7.393 -3.835 -6.022 1.00 30.24 O ATOM 791 CB ASN A 51 9.092 -6.127 -7.363 1.00 12.54 C ATOM 792 CG ASN A 51 10.009 -7.336 -7.382 1.00 51.13 C ATOM 793 OD1 ASN A 51 11.043 -7.360 -6.721 1.00 63.15 O ATOM 794 ND2 ASN A 51 9.660 -8.337 -8.164 1.00 21.11 N ATOM 0 H ASN A 51 7.410 -7.965 -6.879 1.00 30.35 H new ATOM 0 HA ASN A 51 8.701 -5.944 -5.247 1.00 61.13 H new ATOM 0 HB2 ASN A 51 8.510 -6.104 -8.284 1.00 12.54 H new ATOM 0 HB3 ASN A 51 9.695 -5.219 -7.344 1.00 12.54 H new ATOM 0 HD21 ASN A 51 10.256 -9.162 -8.233 1.00 21.11 H new ATOM 0 HD22 ASN A 51 8.794 -8.287 -8.701 1.00 21.11 H new ATOM 801 N TRP A 52 5.916 -5.327 -6.828 1.00 5.12 N ATOM 802 CA TRP A 52 4.884 -4.321 -7.114 1.00 33.34 C ATOM 803 C TRP A 52 3.484 -4.791 -6.693 1.00 73.45 C ATOM 804 O TRP A 52 2.797 -5.494 -7.440 1.00 42.00 O ATOM 805 CB TRP A 52 4.877 -3.957 -8.608 1.00 30.03 C ATOM 806 CG TRP A 52 6.135 -3.280 -9.064 1.00 24.20 C ATOM 807 CD1 TRP A 52 7.125 -3.811 -9.840 1.00 4.11 C ATOM 808 CD2 TRP A 52 6.544 -1.943 -8.754 1.00 2.15 C ATOM 809 NE1 TRP A 52 8.117 -2.883 -10.038 1.00 24.44 N ATOM 810 CE2 TRP A 52 7.784 -1.730 -9.380 1.00 72.42 C ATOM 811 CE3 TRP A 52 5.981 -0.903 -8.010 1.00 14.30 C ATOM 812 CZ2 TRP A 52 8.469 -0.526 -9.287 1.00 1.31 C ATOM 813 CZ3 TRP A 52 6.662 0.294 -7.917 1.00 71.34 C ATOM 814 CH2 TRP A 52 7.894 0.474 -8.554 1.00 15.55 C ATOM 0 H TRP A 52 5.638 -6.285 -7.039 1.00 5.12 H new ATOM 0 HA TRP A 52 5.134 -3.438 -6.525 1.00 33.34 H new ATOM 0 HB2 TRP A 52 4.729 -4.864 -9.194 1.00 30.03 H new ATOM 0 HB3 TRP A 52 4.028 -3.304 -8.811 1.00 30.03 H new ATOM 0 HD1 TRP A 52 7.127 -4.814 -10.240 1.00 4.11 H new ATOM 0 HE1 TRP A 52 8.965 -3.029 -10.586 1.00 24.44 H new ATOM 0 HE3 TRP A 52 5.029 -1.033 -7.516 1.00 14.30 H new ATOM 0 HZ2 TRP A 52 9.422 -0.385 -9.776 1.00 1.31 H new ATOM 0 HZ3 TRP A 52 6.237 1.104 -7.343 1.00 71.34 H new ATOM 0 HH2 TRP A 52 8.402 1.423 -8.465 1.00 15.55 H new ATOM 825 N TRP A 53 3.080 -4.408 -5.484 1.00 54.25 N ATOM 826 CA TRP A 53 1.717 -4.655 -4.997 1.00 32.32 C ATOM 827 C TRP A 53 0.855 -3.389 -5.134 1.00 50.05 C ATOM 828 O TRP A 53 1.254 -2.305 -4.707 1.00 31.10 O ATOM 829 CB TRP A 53 1.741 -5.128 -3.531 1.00 51.11 C ATOM 830 CG TRP A 53 2.116 -6.573 -3.362 1.00 13.33 C ATOM 831 CD1 TRP A 53 2.976 -7.299 -4.134 1.00 15.20 C ATOM 832 CD2 TRP A 53 1.636 -7.466 -2.349 1.00 41.04 C ATOM 833 NE1 TRP A 53 3.050 -8.589 -3.672 1.00 63.12 N ATOM 834 CE2 TRP A 53 2.239 -8.716 -2.576 1.00 30.11 C ATOM 835 CE3 TRP A 53 0.745 -7.328 -1.274 1.00 3.32 C ATOM 836 CZ2 TRP A 53 1.991 -9.821 -1.765 1.00 22.42 C ATOM 837 CZ3 TRP A 53 0.501 -8.427 -0.470 1.00 54.00 C ATOM 838 CH2 TRP A 53 1.120 -9.660 -0.720 1.00 40.41 C ATOM 0 H TRP A 53 3.679 -3.922 -4.817 1.00 54.25 H new ATOM 0 HA TRP A 53 1.276 -5.443 -5.608 1.00 32.32 H new ATOM 0 HB2 TRP A 53 2.446 -4.512 -2.973 1.00 51.11 H new ATOM 0 HB3 TRP A 53 0.757 -4.965 -3.091 1.00 51.11 H new ATOM 0 HD1 TRP A 53 3.519 -6.914 -4.985 1.00 15.20 H new ATOM 0 HE1 TRP A 53 3.617 -9.333 -4.079 1.00 63.12 H new ATOM 0 HE3 TRP A 53 0.260 -6.383 -1.078 1.00 3.32 H new ATOM 0 HZ2 TRP A 53 2.469 -10.771 -1.953 1.00 22.42 H new ATOM 0 HZ3 TRP A 53 -0.178 -8.334 0.365 1.00 54.00 H new ATOM 0 HH2 TRP A 53 0.906 -10.500 -0.076 1.00 40.41 H new ATOM 849 N LYS A 54 -0.319 -3.529 -5.745 1.00 35.42 N ATOM 850 CA LYS A 54 -1.248 -2.408 -5.931 1.00 64.12 C ATOM 851 C LYS A 54 -2.454 -2.535 -4.995 1.00 44.40 C ATOM 852 O LYS A 54 -3.188 -3.523 -5.047 1.00 3.02 O ATOM 853 CB LYS A 54 -1.721 -2.360 -7.391 1.00 65.21 C ATOM 854 CG LYS A 54 -2.703 -1.234 -7.694 1.00 21.12 C ATOM 855 CD LYS A 54 -3.084 -1.210 -9.171 1.00 25.21 C ATOM 856 CE LYS A 54 -4.103 -0.124 -9.479 1.00 34.31 C ATOM 857 NZ LYS A 54 -4.425 -0.063 -10.929 1.00 21.00 N ATOM 0 H LYS A 54 -0.655 -4.414 -6.124 1.00 35.42 H new ATOM 0 HA LYS A 54 -0.724 -1.483 -5.689 1.00 64.12 H new ATOM 0 HB2 LYS A 54 -0.851 -2.253 -8.039 1.00 65.21 H new ATOM 0 HB3 LYS A 54 -2.189 -3.312 -7.641 1.00 65.21 H new ATOM 0 HG2 LYS A 54 -3.600 -1.358 -7.087 1.00 21.12 H new ATOM 0 HG3 LYS A 54 -2.260 -0.278 -7.415 1.00 21.12 H new ATOM 0 HD2 LYS A 54 -2.190 -1.050 -9.773 1.00 25.21 H new ATOM 0 HD3 LYS A 54 -3.491 -2.180 -9.456 1.00 25.21 H new ATOM 0 HE2 LYS A 54 -5.015 -0.310 -8.912 1.00 34.31 H new ATOM 0 HE3 LYS A 54 -3.716 0.841 -9.152 1.00 34.31 H new ATOM 0 HZ1 LYS A 54 -5.123 0.689 -11.098 1.00 21.00 H new ATOM 0 HZ2 LYS A 54 -3.559 0.140 -11.469 1.00 21.00 H new ATOM 0 HZ3 LYS A 54 -4.818 -0.975 -11.236 1.00 21.00 H new ATOM 871 N GLY A 55 -2.668 -1.529 -4.151 1.00 45.54 N ATOM 872 CA GLY A 55 -3.740 -1.593 -3.162 1.00 4.31 C ATOM 873 C GLY A 55 -4.649 -0.368 -3.150 1.00 53.43 C ATOM 874 O GLY A 55 -4.392 0.623 -3.835 1.00 60.13 O ATOM 0 H GLY A 55 -2.120 -0.669 -4.131 1.00 45.54 H new ATOM 0 HA2 GLY A 55 -4.345 -2.479 -3.354 1.00 4.31 H new ATOM 0 HA3 GLY A 55 -3.300 -1.716 -2.172 1.00 4.31 H new ATOM 878 N GLU A 56 -5.712 -0.447 -2.352 1.00 11.41 N ATOM 879 CA GLU A 56 -6.687 0.638 -2.210 1.00 45.23 C ATOM 880 C GLU A 56 -6.858 1.038 -0.735 1.00 52.23 C ATOM 881 O GLU A 56 -7.120 0.191 0.123 1.00 63.53 O ATOM 882 CB GLU A 56 -8.047 0.197 -2.778 1.00 12.14 C ATOM 883 CG GLU A 56 -9.140 1.260 -2.662 1.00 24.03 C ATOM 884 CD GLU A 56 -10.508 0.762 -3.115 1.00 22.23 C ATOM 885 OE1 GLU A 56 -10.784 0.783 -4.335 1.00 4.54 O ATOM 886 OE2 GLU A 56 -11.317 0.358 -2.250 1.00 12.54 O ATOM 0 H GLU A 56 -5.924 -1.267 -1.783 1.00 11.41 H new ATOM 0 HA GLU A 56 -6.316 1.500 -2.764 1.00 45.23 H new ATOM 0 HB2 GLU A 56 -7.922 -0.069 -3.828 1.00 12.14 H new ATOM 0 HB3 GLU A 56 -8.373 -0.703 -2.257 1.00 12.14 H new ATOM 0 HG2 GLU A 56 -9.206 1.594 -1.626 1.00 24.03 H new ATOM 0 HG3 GLU A 56 -8.860 2.128 -3.259 1.00 24.03 H new ATOM 893 N THR A 57 -6.700 2.329 -0.445 1.00 13.25 N ATOM 894 CA THR A 57 -6.969 2.873 0.895 1.00 23.24 C ATOM 895 C THR A 57 -8.129 3.866 0.836 1.00 23.21 C ATOM 896 O THR A 57 -8.772 4.021 -0.204 1.00 45.30 O ATOM 897 CB THR A 57 -5.737 3.605 1.485 1.00 11.11 C ATOM 898 OG1 THR A 57 -5.442 4.787 0.720 1.00 42.23 O ATOM 899 CG2 THR A 57 -4.521 2.693 1.508 1.00 2.32 C ATOM 0 H THR A 57 -6.385 3.025 -1.121 1.00 13.25 H new ATOM 0 HA THR A 57 -7.215 2.026 1.535 1.00 23.24 H new ATOM 0 HB THR A 57 -5.977 3.891 2.509 1.00 11.11 H new ATOM 0 HG1 THR A 57 -4.663 5.240 1.105 1.00 42.23 H new ATOM 0 HG21 THR A 57 -3.670 3.231 1.926 1.00 2.32 H new ATOM 0 HG22 THR A 57 -4.734 1.818 2.122 1.00 2.32 H new ATOM 0 HG23 THR A 57 -4.285 2.375 0.492 1.00 2.32 H new ATOM 907 N HIS A 58 -8.411 4.539 1.948 1.00 63.43 N ATOM 908 CA HIS A 58 -9.410 5.610 1.948 1.00 65.41 C ATOM 909 C HIS A 58 -8.807 6.941 1.468 1.00 61.44 C ATOM 910 O HIS A 58 -9.480 7.969 1.457 1.00 52.34 O ATOM 911 CB HIS A 58 -10.045 5.766 3.336 1.00 1.35 C ATOM 912 CG HIS A 58 -10.949 4.625 3.695 1.00 73.42 C ATOM 913 ND1 HIS A 58 -12.236 4.507 3.212 1.00 51.30 N ATOM 914 CD2 HIS A 58 -10.747 3.539 4.479 1.00 72.31 C ATOM 915 CE1 HIS A 58 -12.782 3.403 3.680 1.00 1.31 C ATOM 916 NE2 HIS A 58 -11.901 2.799 4.448 1.00 61.11 N ATOM 0 H HIS A 58 -7.970 4.367 2.851 1.00 63.43 H new ATOM 0 HA HIS A 58 -10.194 5.330 1.244 1.00 65.41 H new ATOM 0 HB2 HIS A 58 -9.256 5.847 4.084 1.00 1.35 H new ATOM 0 HB3 HIS A 58 -10.612 6.696 3.368 1.00 1.35 H new ATOM 0 HD2 HIS A 58 -9.847 3.301 5.026 1.00 72.31 H new ATOM 0 HE1 HIS A 58 -13.782 3.054 3.469 1.00 1.31 H new ATOM 0 HE2 HIS A 58 -12.052 1.920 4.942 1.00 61.11 H new ATOM 925 N GLN A 59 -7.534 6.909 1.068 1.00 64.54 N ATOM 926 CA GLN A 59 -6.872 8.082 0.480 1.00 63.44 C ATOM 927 C GLN A 59 -6.774 7.949 -1.050 1.00 3.31 C ATOM 928 O GLN A 59 -7.007 8.914 -1.782 1.00 32.50 O ATOM 929 CB GLN A 59 -5.472 8.273 1.081 1.00 14.51 C ATOM 930 CG GLN A 59 -5.460 8.338 2.607 1.00 41.01 C ATOM 931 CD GLN A 59 -4.139 8.842 3.173 1.00 12.14 C ATOM 932 OE1 GLN A 59 -3.460 9.662 2.565 1.00 41.03 O ATOM 933 NE2 GLN A 59 -3.754 8.348 4.332 1.00 44.32 N ATOM 0 H GLN A 59 -6.938 6.084 1.139 1.00 64.54 H new ATOM 0 HA GLN A 59 -7.477 8.958 0.714 1.00 63.44 H new ATOM 0 HB2 GLN A 59 -4.832 7.452 0.757 1.00 14.51 H new ATOM 0 HB3 GLN A 59 -5.039 9.191 0.684 1.00 14.51 H new ATOM 0 HG2 GLN A 59 -6.265 8.991 2.943 1.00 41.01 H new ATOM 0 HG3 GLN A 59 -5.666 7.346 3.009 1.00 41.01 H new ATOM 0 HE21 GLN A 59 -4.339 7.667 4.816 1.00 44.32 H new ATOM 0 HE22 GLN A 59 -2.871 8.647 4.746 1.00 44.32 H new ATOM 942 N GLY A 60 -6.428 6.752 -1.528 1.00 1.12 N ATOM 943 CA GLY A 60 -6.322 6.519 -2.968 1.00 51.23 C ATOM 944 C GLY A 60 -5.856 5.107 -3.326 1.00 54.51 C ATOM 945 O GLY A 60 -5.760 4.237 -2.458 1.00 34.33 O ATOM 0 H GLY A 60 -6.219 5.940 -0.948 1.00 1.12 H new ATOM 0 HA2 GLY A 60 -7.293 6.700 -3.430 1.00 51.23 H new ATOM 0 HA3 GLY A 60 -5.626 7.242 -3.394 1.00 51.23 H new ATOM 949 N ILE A 61 -5.566 4.885 -4.612 1.00 72.34 N ATOM 950 CA ILE A 61 -5.101 3.578 -5.108 1.00 5.41 C ATOM 951 C ILE A 61 -3.716 3.697 -5.769 1.00 4.54 C ATOM 952 O ILE A 61 -3.508 4.544 -6.641 1.00 74.23 O ATOM 953 CB ILE A 61 -6.093 2.980 -6.144 1.00 13.30 C ATOM 954 CG1 ILE A 61 -7.495 2.838 -5.533 1.00 74.42 C ATOM 955 CG2 ILE A 61 -5.593 1.628 -6.656 1.00 50.12 C ATOM 956 CD1 ILE A 61 -8.519 2.225 -6.469 1.00 2.21 C ATOM 0 H ILE A 61 -5.645 5.598 -5.337 1.00 72.34 H new ATOM 0 HA ILE A 61 -5.039 2.918 -4.243 1.00 5.41 H new ATOM 0 HB ILE A 61 -6.154 3.665 -6.989 1.00 13.30 H new ATOM 0 HG12 ILE A 61 -7.428 2.225 -4.634 1.00 74.42 H new ATOM 0 HG13 ILE A 61 -7.846 3.822 -5.222 1.00 74.42 H new ATOM 0 HG21 ILE A 61 -6.303 1.228 -7.380 1.00 50.12 H new ATOM 0 HG22 ILE A 61 -4.621 1.756 -7.133 1.00 50.12 H new ATOM 0 HG23 ILE A 61 -5.498 0.935 -5.820 1.00 50.12 H new ATOM 0 HD11 ILE A 61 -9.482 2.160 -5.962 1.00 2.21 H new ATOM 0 HD12 ILE A 61 -8.618 2.848 -7.358 1.00 2.21 H new ATOM 0 HD13 ILE A 61 -8.194 1.226 -6.760 1.00 2.21 H new ATOM 968 N GLY A 62 -2.780 2.833 -5.377 1.00 12.52 N ATOM 969 CA GLY A 62 -1.430 2.895 -5.936 1.00 71.11 C ATOM 970 C GLY A 62 -0.556 1.693 -5.578 1.00 51.40 C ATOM 971 O GLY A 62 -1.017 0.735 -4.953 1.00 2.21 O ATOM 0 H GLY A 62 -2.927 2.095 -4.688 1.00 12.52 H new ATOM 0 HA2 GLY A 62 -1.500 2.971 -7.021 1.00 71.11 H new ATOM 0 HA3 GLY A 62 -0.943 3.804 -5.584 1.00 71.11 H new ATOM 975 N LEU A 63 0.712 1.756 -5.983 1.00 71.54 N ATOM 976 CA LEU A 63 1.682 0.679 -5.735 1.00 41.20 C ATOM 977 C LEU A 63 2.465 0.901 -4.428 1.00 61.21 C ATOM 978 O LEU A 63 2.591 2.028 -3.953 1.00 74.33 O ATOM 979 CB LEU A 63 2.664 0.594 -6.917 1.00 75.14 C ATOM 980 CG LEU A 63 2.033 0.231 -8.276 1.00 13.11 C ATOM 981 CD1 LEU A 63 3.028 0.448 -9.415 1.00 35.12 C ATOM 982 CD2 LEU A 63 1.536 -1.214 -8.268 1.00 21.05 C ATOM 0 H LEU A 63 1.099 2.551 -6.491 1.00 71.54 H new ATOM 0 HA LEU A 63 1.128 -0.255 -5.635 1.00 41.20 H new ATOM 0 HB2 LEU A 63 3.171 1.554 -7.016 1.00 75.14 H new ATOM 0 HB3 LEU A 63 3.428 -0.147 -6.681 1.00 75.14 H new ATOM 0 HG LEU A 63 1.180 0.890 -8.440 1.00 13.11 H new ATOM 0 HD11 LEU A 63 2.559 0.185 -10.363 1.00 35.12 H new ATOM 0 HD12 LEU A 63 3.332 1.495 -9.439 1.00 35.12 H new ATOM 0 HD13 LEU A 63 3.904 -0.180 -9.257 1.00 35.12 H new ATOM 0 HD21 LEU A 63 1.094 -1.452 -9.235 1.00 21.05 H new ATOM 0 HD22 LEU A 63 2.373 -1.886 -8.076 1.00 21.05 H new ATOM 0 HD23 LEU A 63 0.786 -1.337 -7.486 1.00 21.05 H new ATOM 994 N PHE A 64 2.976 -0.188 -3.847 1.00 45.52 N ATOM 995 CA PHE A 64 3.855 -0.109 -2.668 1.00 52.55 C ATOM 996 C PHE A 64 4.891 -1.258 -2.656 1.00 14.33 C ATOM 997 O PHE A 64 4.581 -2.391 -2.293 1.00 64.11 O ATOM 998 CB PHE A 64 3.029 -0.082 -1.363 1.00 51.31 C ATOM 999 CG PHE A 64 1.954 -1.147 -1.252 1.00 32.51 C ATOM 1000 CD1 PHE A 64 0.717 -0.971 -1.862 1.00 53.43 C ATOM 1001 CD2 PHE A 64 2.172 -2.315 -0.526 1.00 1.44 C ATOM 1002 CE1 PHE A 64 -0.271 -1.933 -1.754 1.00 51.42 C ATOM 1003 CE2 PHE A 64 1.185 -3.278 -0.419 1.00 71.44 C ATOM 1004 CZ PHE A 64 -0.037 -3.087 -1.033 1.00 23.53 C ATOM 0 H PHE A 64 2.798 -1.138 -4.172 1.00 45.52 H new ATOM 0 HA PHE A 64 4.410 0.827 -2.731 1.00 52.55 H new ATOM 0 HB2 PHE A 64 3.711 -0.188 -0.519 1.00 51.31 H new ATOM 0 HB3 PHE A 64 2.558 0.897 -1.271 1.00 51.31 H new ATOM 0 HD1 PHE A 64 0.525 -0.071 -2.428 1.00 53.43 H new ATOM 0 HD2 PHE A 64 3.124 -2.471 -0.040 1.00 1.44 H new ATOM 0 HE1 PHE A 64 -1.226 -1.781 -2.234 1.00 51.42 H new ATOM 0 HE2 PHE A 64 1.370 -4.180 0.145 1.00 71.44 H new ATOM 0 HZ PHE A 64 -0.808 -3.839 -0.949 1.00 23.53 H new ATOM 1014 N PRO A 65 6.150 -0.970 -3.057 1.00 14.41 N ATOM 1015 CA PRO A 65 7.195 -1.992 -3.243 1.00 22.34 C ATOM 1016 C PRO A 65 7.943 -2.397 -1.951 1.00 31.43 C ATOM 1017 O PRO A 65 8.302 -3.559 -1.768 1.00 50.11 O ATOM 1018 CB PRO A 65 8.177 -1.321 -4.232 1.00 24.03 C ATOM 1019 CG PRO A 65 7.665 0.077 -4.462 1.00 55.31 C ATOM 1020 CD PRO A 65 6.663 0.366 -3.378 1.00 75.21 C ATOM 0 HA PRO A 65 6.753 -2.926 -3.591 1.00 22.34 H new ATOM 0 HB2 PRO A 65 9.187 -1.302 -3.823 1.00 24.03 H new ATOM 0 HB3 PRO A 65 8.223 -1.876 -5.169 1.00 24.03 H new ATOM 0 HG2 PRO A 65 8.483 0.797 -4.432 1.00 55.31 H new ATOM 0 HG3 PRO A 65 7.203 0.161 -5.446 1.00 55.31 H new ATOM 0 HD2 PRO A 65 7.126 0.842 -2.513 1.00 75.21 H new ATOM 0 HD3 PRO A 65 5.872 1.032 -3.723 1.00 75.21 H new ATOM 1028 N SER A 66 8.189 -1.428 -1.063 1.00 45.13 N ATOM 1029 CA SER A 66 9.010 -1.651 0.149 1.00 62.11 C ATOM 1030 C SER A 66 8.413 -2.706 1.100 1.00 62.33 C ATOM 1031 O SER A 66 9.108 -3.217 1.980 1.00 12.44 O ATOM 1032 CB SER A 66 9.199 -0.330 0.910 1.00 75.04 C ATOM 1033 OG SER A 66 9.666 0.698 0.053 1.00 5.21 O ATOM 0 H SER A 66 7.834 -0.476 -1.155 1.00 45.13 H new ATOM 0 HA SER A 66 9.971 -2.033 -0.196 1.00 62.11 H new ATOM 0 HB2 SER A 66 8.253 -0.029 1.360 1.00 75.04 H new ATOM 0 HB3 SER A 66 9.908 -0.476 1.725 1.00 75.04 H new ATOM 0 HG SER A 66 9.775 1.526 0.565 1.00 5.21 H new ATOM 1039 N ASN A 67 7.126 -3.014 0.928 1.00 34.50 N ATOM 1040 CA ASN A 67 6.420 -3.967 1.803 1.00 62.31 C ATOM 1041 C ASN A 67 6.440 -3.515 3.278 1.00 60.52 C ATOM 1042 O ASN A 67 6.925 -4.220 4.163 1.00 53.14 O ATOM 1043 CB ASN A 67 7.002 -5.386 1.658 1.00 14.24 C ATOM 1044 CG ASN A 67 6.598 -6.049 0.350 1.00 14.23 C ATOM 1045 OD1 ASN A 67 5.592 -6.748 0.281 1.00 3.04 O ATOM 1046 ND2 ASN A 67 7.365 -5.826 -0.698 1.00 44.33 N ATOM 0 H ASN A 67 6.545 -2.618 0.189 1.00 34.50 H new ATOM 0 HA ASN A 67 5.379 -3.989 1.482 1.00 62.31 H new ATOM 0 HB2 ASN A 67 8.089 -5.337 1.716 1.00 14.24 H new ATOM 0 HB3 ASN A 67 6.665 -6.001 2.493 1.00 14.24 H new ATOM 0 HD21 ASN A 67 7.129 -6.239 -1.600 1.00 44.33 H new ATOM 0 HD22 ASN A 67 8.195 -5.240 -0.607 1.00 44.33 H new ATOM 1053 N PHE A 68 5.897 -2.326 3.525 1.00 12.30 N ATOM 1054 CA PHE A 68 5.782 -1.767 4.884 1.00 53.32 C ATOM 1055 C PHE A 68 4.410 -2.091 5.504 1.00 50.24 C ATOM 1056 O PHE A 68 3.922 -1.384 6.388 1.00 40.34 O ATOM 1057 CB PHE A 68 6.013 -0.244 4.843 1.00 64.43 C ATOM 1058 CG PHE A 68 5.513 0.398 3.573 1.00 22.24 C ATOM 1059 CD1 PHE A 68 4.154 0.547 3.331 1.00 52.13 C ATOM 1060 CD2 PHE A 68 6.410 0.831 2.608 1.00 63.11 C ATOM 1061 CE1 PHE A 68 3.707 1.112 2.152 1.00 43.12 C ATOM 1062 CE2 PHE A 68 5.966 1.398 1.431 1.00 60.23 C ATOM 1063 CZ PHE A 68 4.614 1.536 1.202 1.00 23.31 C ATOM 0 H PHE A 68 5.523 -1.718 2.796 1.00 12.30 H new ATOM 0 HA PHE A 68 6.545 -2.226 5.513 1.00 53.32 H new ATOM 0 HB2 PHE A 68 5.514 0.216 5.696 1.00 64.43 H new ATOM 0 HB3 PHE A 68 7.079 -0.041 4.950 1.00 64.43 H new ATOM 0 HD1 PHE A 68 3.440 0.218 4.071 1.00 52.13 H new ATOM 0 HD2 PHE A 68 7.471 0.723 2.780 1.00 63.11 H new ATOM 0 HE1 PHE A 68 2.647 1.222 1.974 1.00 43.12 H new ATOM 0 HE2 PHE A 68 6.677 1.733 0.690 1.00 60.23 H new ATOM 0 HZ PHE A 68 4.264 1.976 0.280 1.00 23.31 H new ATOM 1073 N VAL A 69 3.809 -3.182 5.037 1.00 70.12 N ATOM 1074 CA VAL A 69 2.504 -3.641 5.525 1.00 61.24 C ATOM 1075 C VAL A 69 2.569 -5.125 5.926 1.00 45.34 C ATOM 1076 O VAL A 69 3.615 -5.761 5.801 1.00 15.41 O ATOM 1077 CB VAL A 69 1.404 -3.447 4.446 1.00 41.45 C ATOM 1078 CG1 VAL A 69 1.223 -1.967 4.114 1.00 51.42 C ATOM 1079 CG2 VAL A 69 1.732 -4.249 3.187 1.00 23.43 C ATOM 0 H VAL A 69 4.209 -3.775 4.310 1.00 70.12 H new ATOM 0 HA VAL A 69 2.249 -3.041 6.399 1.00 61.24 H new ATOM 0 HB VAL A 69 0.463 -3.820 4.851 1.00 41.45 H new ATOM 0 HG11 VAL A 69 0.448 -1.856 3.356 1.00 51.42 H new ATOM 0 HG12 VAL A 69 0.931 -1.425 5.014 1.00 51.42 H new ATOM 0 HG13 VAL A 69 2.161 -1.562 3.735 1.00 51.42 H new ATOM 0 HG21 VAL A 69 0.948 -4.098 2.445 1.00 23.43 H new ATOM 0 HG22 VAL A 69 2.686 -3.914 2.780 1.00 23.43 H new ATOM 0 HG23 VAL A 69 1.796 -5.308 3.437 1.00 23.43 H new ATOM 1089 N THR A 70 1.458 -5.668 6.412 1.00 62.05 N ATOM 1090 CA THR A 70 1.396 -7.087 6.792 1.00 61.05 C ATOM 1091 C THR A 70 -0.018 -7.652 6.628 1.00 35.14 C ATOM 1092 O THR A 70 -1.005 -6.937 6.806 1.00 1.31 O ATOM 1093 CB THR A 70 1.857 -7.311 8.253 1.00 53.13 C ATOM 1094 OG1 THR A 70 1.777 -8.706 8.589 1.00 33.13 O ATOM 1095 CG2 THR A 70 1.014 -6.498 9.232 1.00 53.21 C ATOM 0 H THR A 70 0.588 -5.155 6.554 1.00 62.05 H new ATOM 0 HA THR A 70 2.074 -7.612 6.120 1.00 61.05 H new ATOM 0 HB THR A 70 2.891 -6.976 8.331 1.00 53.13 H new ATOM 0 HG1 THR A 70 2.072 -8.837 9.514 1.00 33.13 H new ATOM 0 HG21 THR A 70 1.363 -6.677 10.249 1.00 53.21 H new ATOM 0 HG22 THR A 70 1.107 -5.437 8.998 1.00 53.21 H new ATOM 0 HG23 THR A 70 -0.031 -6.798 9.149 1.00 53.21 H new ATOM 1103 N ALA A 71 -0.114 -8.933 6.281 1.00 14.44 N ATOM 1104 CA ALA A 71 -1.412 -9.602 6.148 1.00 10.34 C ATOM 1105 C ALA A 71 -2.106 -9.732 7.513 1.00 62.23 C ATOM 1106 O ALA A 71 -1.755 -10.596 8.326 1.00 11.03 O ATOM 1107 CB ALA A 71 -1.234 -10.971 5.499 1.00 4.42 C ATOM 0 H ALA A 71 0.689 -9.531 6.086 1.00 14.44 H new ATOM 0 HA ALA A 71 -2.049 -8.993 5.507 1.00 10.34 H new ATOM 0 HB1 ALA A 71 -2.205 -11.458 5.405 1.00 4.42 H new ATOM 0 HB2 ALA A 71 -0.792 -10.850 4.510 1.00 4.42 H new ATOM 0 HB3 ALA A 71 -0.578 -11.584 6.117 1.00 4.42 H new