USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=8 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.602 K(o=-0.6,f=-5.8!) USER MOD Single : A 35 THR OG1 : rot -132:sc= 0.923 USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.104) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 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 -35:sc= 1.19 USER MOD Single : A 58 HIS : no HD1:sc= -0.0298 X(o=-0.03,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.57) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.288 USER MOD ----------------------------------------------------------------- ATOM 273 N ARG A 18 -7.228 -9.787 -0.883 1.00 34.33 N ATOM 274 CA ARG A 18 -6.632 -9.859 0.456 1.00 14.24 C ATOM 275 C ARG A 18 -6.388 -8.448 1.020 1.00 14.23 C ATOM 276 O ARG A 18 -6.070 -7.514 0.280 1.00 53.11 O ATOM 277 CB ARG A 18 -5.316 -10.666 0.417 1.00 42.30 C ATOM 278 CG ARG A 18 -4.155 -9.948 -0.272 1.00 34.14 C ATOM 279 CD ARG A 18 -2.916 -10.835 -0.404 1.00 40.14 C ATOM 280 NE ARG A 18 -3.040 -11.802 -1.497 1.00 72.41 N ATOM 281 CZ ARG A 18 -2.600 -13.032 -1.451 1.00 0.42 C ATOM 282 NH1 ARG A 18 -2.020 -13.491 -0.387 1.00 63.52 N ATOM 283 NH2 ARG A 18 -2.729 -13.801 -2.480 1.00 31.31 N ATOM 0 HA ARG A 18 -7.331 -10.372 1.117 1.00 14.24 H new ATOM 0 HB2 ARG A 18 -5.022 -10.909 1.438 1.00 42.30 H new ATOM 0 HB3 ARG A 18 -5.498 -11.611 -0.095 1.00 42.30 H new ATOM 0 HG2 ARG A 18 -4.471 -9.620 -1.262 1.00 34.14 H new ATOM 0 HG3 ARG A 18 -3.898 -9.052 0.294 1.00 34.14 H new ATOM 0 HD2 ARG A 18 -2.040 -10.209 -0.573 1.00 40.14 H new ATOM 0 HD3 ARG A 18 -2.751 -11.368 0.533 1.00 40.14 H new ATOM 0 HE ARG A 18 -3.501 -11.494 -2.353 1.00 72.41 H new ATOM 0 HH11 ARG A 18 -1.902 -12.890 0.429 1.00 63.52 H new ATOM 0 HH12 ARG A 18 -1.682 -14.453 -0.365 1.00 63.52 H new ATOM 0 HH21 ARG A 18 -3.174 -13.449 -3.328 1.00 31.31 H new ATOM 0 HH22 ARG A 18 -2.386 -14.761 -2.445 1.00 31.31 H new ATOM 297 N LYS A 19 -6.555 -8.289 2.331 1.00 33.52 N ATOM 298 CA LYS A 19 -6.351 -6.989 2.985 1.00 10.05 C ATOM 299 C LYS A 19 -5.103 -7.012 3.875 1.00 34.04 C ATOM 300 O LYS A 19 -4.874 -7.970 4.617 1.00 75.12 O ATOM 301 CB LYS A 19 -7.591 -6.613 3.805 1.00 64.32 C ATOM 302 CG LYS A 19 -8.867 -6.538 2.973 1.00 11.42 C ATOM 303 CD LYS A 19 -10.061 -6.061 3.795 1.00 41.33 C ATOM 304 CE LYS A 19 -11.324 -5.975 2.946 1.00 62.00 C ATOM 305 NZ LYS A 19 -12.464 -5.383 3.692 1.00 23.41 N ATOM 0 H LYS A 19 -6.830 -9.040 2.964 1.00 33.52 H new ATOM 0 HA LYS A 19 -6.197 -6.235 2.213 1.00 10.05 H new ATOM 0 HB2 LYS A 19 -7.727 -7.346 4.601 1.00 64.32 H new ATOM 0 HB3 LYS A 19 -7.422 -5.649 4.285 1.00 64.32 H new ATOM 0 HG2 LYS A 19 -8.712 -5.861 2.133 1.00 11.42 H new ATOM 0 HG3 LYS A 19 -9.085 -7.521 2.555 1.00 11.42 H new ATOM 0 HD2 LYS A 19 -10.227 -6.744 4.628 1.00 41.33 H new ATOM 0 HD3 LYS A 19 -9.842 -5.083 4.224 1.00 41.33 H new ATOM 0 HE2 LYS A 19 -11.123 -5.375 2.058 1.00 62.00 H new ATOM 0 HE3 LYS A 19 -11.597 -6.973 2.602 1.00 62.00 H new ATOM 0 HZ1 LYS A 19 -13.300 -5.345 3.075 1.00 23.41 H new ATOM 0 HZ2 LYS A 19 -12.675 -5.968 4.525 1.00 23.41 H new ATOM 0 HZ3 LYS A 19 -12.216 -4.421 3.999 1.00 23.41 H new ATOM 319 N VAL A 20 -4.298 -5.956 3.800 1.00 63.23 N ATOM 320 CA VAL A 20 -3.035 -5.886 4.547 1.00 54.21 C ATOM 321 C VAL A 20 -2.947 -4.629 5.431 1.00 14.54 C ATOM 322 O VAL A 20 -3.339 -3.534 5.029 1.00 53.13 O ATOM 323 CB VAL A 20 -1.812 -5.926 3.593 1.00 34.44 C ATOM 324 CG1 VAL A 20 -1.743 -7.262 2.859 1.00 43.51 C ATOM 325 CG2 VAL A 20 -1.855 -4.764 2.600 1.00 42.51 C ATOM 0 H VAL A 20 -4.494 -5.133 3.230 1.00 63.23 H new ATOM 0 HA VAL A 20 -3.018 -6.763 5.195 1.00 54.21 H new ATOM 0 HB VAL A 20 -0.910 -5.821 4.196 1.00 34.44 H new ATOM 0 HG11 VAL A 20 -0.878 -7.268 2.196 1.00 43.51 H new ATOM 0 HG12 VAL A 20 -1.650 -8.071 3.584 1.00 43.51 H new ATOM 0 HG13 VAL A 20 -2.651 -7.402 2.273 1.00 43.51 H new ATOM 0 HG21 VAL A 20 -0.987 -4.815 1.943 1.00 42.51 H new ATOM 0 HG22 VAL A 20 -2.766 -4.828 2.004 1.00 42.51 H new ATOM 0 HG23 VAL A 20 -1.843 -3.820 3.144 1.00 42.51 H new ATOM 335 N ARG A 21 -2.430 -4.805 6.643 1.00 25.42 N ATOM 336 CA ARG A 21 -2.241 -3.702 7.591 1.00 33.24 C ATOM 337 C ARG A 21 -0.820 -3.126 7.501 1.00 35.22 C ATOM 338 O ARG A 21 0.167 -3.858 7.584 1.00 1.30 O ATOM 339 CB ARG A 21 -2.528 -4.193 9.017 1.00 74.55 C ATOM 340 CG ARG A 21 -2.126 -3.212 10.116 1.00 53.53 C ATOM 341 CD ARG A 21 -2.579 -3.691 11.492 1.00 55.42 C ATOM 342 NE ARG A 21 -4.015 -3.494 11.702 1.00 3.31 N ATOM 343 CZ ARG A 21 -4.804 -4.345 12.300 1.00 31.22 C ATOM 344 NH1 ARG A 21 -4.386 -5.527 12.635 1.00 11.24 N ATOM 345 NH2 ARG A 21 -6.038 -4.024 12.530 1.00 74.31 N ATOM 0 H ARG A 21 -2.130 -5.712 6.999 1.00 25.42 H new ATOM 0 HA ARG A 21 -2.938 -2.904 7.335 1.00 33.24 H new ATOM 0 HB2 ARG A 21 -3.593 -4.404 9.108 1.00 74.55 H new ATOM 0 HB3 ARG A 21 -2.002 -5.134 9.177 1.00 74.55 H new ATOM 0 HG2 ARG A 21 -1.043 -3.085 10.113 1.00 53.53 H new ATOM 0 HG3 ARG A 21 -2.562 -2.235 9.909 1.00 53.53 H new ATOM 0 HD2 ARG A 21 -2.339 -4.748 11.604 1.00 55.42 H new ATOM 0 HD3 ARG A 21 -2.024 -3.155 12.262 1.00 55.42 H new ATOM 0 HE ARG A 21 -4.429 -2.629 11.356 1.00 3.31 H new ATOM 0 HH11 ARG A 21 -3.426 -5.805 12.432 1.00 11.24 H new ATOM 0 HH12 ARG A 21 -5.018 -6.178 13.102 1.00 11.24 H new ATOM 0 HH21 ARG A 21 -6.389 -3.110 12.244 1.00 74.31 H new ATOM 0 HH22 ARG A 21 -6.658 -4.685 12.997 1.00 74.31 H new ATOM 359 N ALA A 22 -0.721 -1.811 7.330 1.00 2.12 N ATOM 360 CA ALA A 22 0.580 -1.137 7.242 1.00 22.54 C ATOM 361 C ALA A 22 1.257 -1.016 8.618 1.00 71.12 C ATOM 362 O ALA A 22 0.691 -0.440 9.546 1.00 10.25 O ATOM 363 CB ALA A 22 0.413 0.243 6.622 1.00 75.43 C ATOM 0 H ALA A 22 -1.524 -1.187 7.249 1.00 2.12 H new ATOM 0 HA ALA A 22 1.224 -1.747 6.608 1.00 22.54 H new ATOM 0 HB1 ALA A 22 1.384 0.735 6.561 1.00 75.43 H new ATOM 0 HB2 ALA A 22 -0.007 0.144 5.621 1.00 75.43 H new ATOM 0 HB3 ALA A 22 -0.258 0.840 7.239 1.00 75.43 H new ATOM 369 N ILE A 23 2.472 -1.551 8.745 1.00 21.52 N ATOM 370 CA ILE A 23 3.227 -1.453 10.003 1.00 74.14 C ATOM 371 C ILE A 23 3.997 -0.122 10.094 1.00 53.41 C ATOM 372 O ILE A 23 4.314 0.349 11.188 1.00 33.00 O ATOM 373 CB ILE A 23 4.211 -2.641 10.189 1.00 30.00 C ATOM 374 CG1 ILE A 23 5.248 -2.684 9.055 1.00 21.03 C ATOM 375 CG2 ILE A 23 3.445 -3.962 10.270 1.00 65.44 C ATOM 376 CD1 ILE A 23 6.266 -3.798 9.196 1.00 20.02 C ATOM 0 H ILE A 23 2.955 -2.054 8.000 1.00 21.52 H new ATOM 0 HA ILE A 23 2.491 -1.492 10.806 1.00 74.14 H new ATOM 0 HB ILE A 23 4.747 -2.493 11.127 1.00 30.00 H new ATOM 0 HG12 ILE A 23 4.728 -2.799 8.104 1.00 21.03 H new ATOM 0 HG13 ILE A 23 5.772 -1.729 9.018 1.00 21.03 H new ATOM 0 HG21 ILE A 23 4.149 -4.784 10.400 1.00 65.44 H new ATOM 0 HG22 ILE A 23 2.760 -3.934 11.117 1.00 65.44 H new ATOM 0 HG23 ILE A 23 2.879 -4.111 9.350 1.00 65.44 H new ATOM 0 HD11 ILE A 23 6.963 -3.762 8.359 1.00 20.02 H new ATOM 0 HD12 ILE A 23 6.814 -3.674 10.130 1.00 20.02 H new ATOM 0 HD13 ILE A 23 5.754 -4.760 9.201 1.00 20.02 H new ATOM 388 N TYR A 24 4.290 0.480 8.940 1.00 63.14 N ATOM 389 CA TYR A 24 4.965 1.788 8.884 1.00 62.14 C ATOM 390 C TYR A 24 4.163 2.786 8.033 1.00 10.20 C ATOM 391 O TYR A 24 3.406 2.393 7.145 1.00 41.44 O ATOM 392 CB TYR A 24 6.382 1.649 8.303 1.00 74.20 C ATOM 393 CG TYR A 24 7.303 0.734 9.093 1.00 1.41 C ATOM 394 CD1 TYR A 24 7.512 0.927 10.456 1.00 60.10 C ATOM 395 CD2 TYR A 24 7.965 -0.321 8.473 1.00 34.11 C ATOM 396 CE1 TYR A 24 8.351 0.098 11.173 1.00 2.51 C ATOM 397 CE2 TYR A 24 8.806 -1.153 9.186 1.00 34.45 C ATOM 398 CZ TYR A 24 8.995 -0.939 10.533 1.00 31.41 C ATOM 399 OH TYR A 24 9.833 -1.768 11.247 1.00 33.31 O ATOM 0 H TYR A 24 4.071 0.085 8.025 1.00 63.14 H new ATOM 0 HA TYR A 24 5.032 2.164 9.905 1.00 62.14 H new ATOM 0 HB2 TYR A 24 6.307 1.274 7.282 1.00 74.20 H new ATOM 0 HB3 TYR A 24 6.836 2.638 8.246 1.00 74.20 H new ATOM 0 HD1 TYR A 24 7.009 1.739 10.961 1.00 60.10 H new ATOM 0 HD2 TYR A 24 7.819 -0.492 7.417 1.00 34.11 H new ATOM 0 HE1 TYR A 24 8.502 0.261 12.230 1.00 2.51 H new ATOM 0 HE2 TYR A 24 9.313 -1.967 8.689 1.00 34.45 H new ATOM 0 HH TYR A 24 10.207 -2.448 10.649 1.00 33.31 H new ATOM 409 N ASP A 25 4.333 4.078 8.316 1.00 52.12 N ATOM 410 CA ASP A 25 3.690 5.142 7.535 1.00 10.33 C ATOM 411 C ASP A 25 4.489 5.444 6.254 1.00 30.30 C ATOM 412 O ASP A 25 5.674 5.111 6.161 1.00 31.11 O ATOM 413 CB ASP A 25 3.559 6.410 8.389 1.00 35.14 C ATOM 414 CG ASP A 25 4.901 6.896 8.920 1.00 53.14 C ATOM 415 OD1 ASP A 25 5.577 7.679 8.222 1.00 34.04 O ATOM 416 OD2 ASP A 25 5.285 6.495 10.041 1.00 15.54 O ATOM 0 H ASP A 25 4.913 4.417 9.084 1.00 52.12 H new ATOM 0 HA ASP A 25 2.696 4.802 7.243 1.00 10.33 H new ATOM 0 HB2 ASP A 25 3.100 7.199 7.794 1.00 35.14 H new ATOM 0 HB3 ASP A 25 2.890 6.213 9.227 1.00 35.14 H new ATOM 421 N PHE A 26 3.849 6.081 5.272 1.00 61.51 N ATOM 422 CA PHE A 26 4.537 6.438 4.025 1.00 71.50 C ATOM 423 C PHE A 26 3.722 7.416 3.165 1.00 4.11 C ATOM 424 O PHE A 26 2.501 7.292 3.033 1.00 21.14 O ATOM 425 CB PHE A 26 4.855 5.172 3.219 1.00 70.25 C ATOM 426 CG PHE A 26 5.636 5.425 1.953 1.00 44.44 C ATOM 427 CD1 PHE A 26 7.003 5.680 1.996 1.00 14.05 C ATOM 428 CD2 PHE A 26 5.004 5.408 0.719 1.00 70.22 C ATOM 429 CE1 PHE A 26 7.715 5.911 0.836 1.00 60.55 C ATOM 430 CE2 PHE A 26 5.714 5.638 -0.444 1.00 73.13 C ATOM 431 CZ PHE A 26 7.070 5.890 -0.385 1.00 13.22 C ATOM 0 H PHE A 26 2.868 6.358 5.312 1.00 61.51 H new ATOM 0 HA PHE A 26 5.463 6.943 4.301 1.00 71.50 H new ATOM 0 HB2 PHE A 26 5.420 4.485 3.850 1.00 70.25 H new ATOM 0 HB3 PHE A 26 3.920 4.674 2.962 1.00 70.25 H new ATOM 0 HD1 PHE A 26 7.513 5.697 2.948 1.00 14.05 H new ATOM 0 HD2 PHE A 26 3.943 5.212 0.666 1.00 70.22 H new ATOM 0 HE1 PHE A 26 8.776 6.108 0.883 1.00 60.55 H new ATOM 0 HE2 PHE A 26 5.209 5.621 -1.398 1.00 73.13 H new ATOM 0 HZ PHE A 26 7.626 6.071 -1.293 1.00 13.22 H new ATOM 441 N GLU A 27 4.414 8.401 2.594 1.00 2.40 N ATOM 442 CA GLU A 27 3.817 9.314 1.613 1.00 20.42 C ATOM 443 C GLU A 27 4.349 9.006 0.202 1.00 11.34 C ATOM 444 O GLU A 27 5.559 8.851 0.003 1.00 0.23 O ATOM 445 CB GLU A 27 4.105 10.780 1.982 1.00 61.55 C ATOM 446 CG GLU A 27 5.589 11.100 2.171 1.00 5.54 C ATOM 447 CD GLU A 27 5.861 12.592 2.281 1.00 54.02 C ATOM 448 OE1 GLU A 27 5.473 13.203 3.297 1.00 4.14 O ATOM 449 OE2 GLU A 27 6.467 13.162 1.352 1.00 53.35 O ATOM 0 H GLU A 27 5.396 8.590 2.794 1.00 2.40 H new ATOM 0 HA GLU A 27 2.737 9.164 1.623 1.00 20.42 H new ATOM 0 HB2 GLU A 27 3.702 11.425 1.201 1.00 61.55 H new ATOM 0 HB3 GLU A 27 3.573 11.023 2.902 1.00 61.55 H new ATOM 0 HG2 GLU A 27 5.952 10.602 3.070 1.00 5.54 H new ATOM 0 HG3 GLU A 27 6.153 10.693 1.332 1.00 5.54 H new ATOM 456 N ALA A 28 3.445 8.913 -0.768 1.00 30.35 N ATOM 457 CA ALA A 28 3.804 8.551 -2.145 1.00 45.23 C ATOM 458 C ALA A 28 4.853 9.498 -2.748 1.00 3.43 C ATOM 459 O ALA A 28 4.606 10.693 -2.913 1.00 53.23 O ATOM 460 CB ALA A 28 2.554 8.532 -3.017 1.00 13.42 C ATOM 0 H ALA A 28 2.449 9.084 -0.629 1.00 30.35 H new ATOM 0 HA ALA A 28 4.250 7.557 -2.114 1.00 45.23 H new ATOM 0 HB1 ALA A 28 2.826 8.263 -4.038 1.00 13.42 H new ATOM 0 HB2 ALA A 28 1.848 7.800 -2.625 1.00 13.42 H new ATOM 0 HB3 ALA A 28 2.093 9.520 -3.013 1.00 13.42 H new ATOM 466 N ALA A 29 6.024 8.956 -3.078 1.00 4.53 N ATOM 467 CA ALA A 29 7.095 9.738 -3.700 1.00 73.33 C ATOM 468 C ALA A 29 6.967 9.719 -5.229 1.00 21.44 C ATOM 469 O ALA A 29 7.013 10.761 -5.890 1.00 13.44 O ATOM 470 CB ALA A 29 8.453 9.196 -3.267 1.00 75.24 C ATOM 0 H ALA A 29 6.257 7.975 -2.925 1.00 4.53 H new ATOM 0 HA ALA A 29 7.008 10.773 -3.370 1.00 73.33 H new ATOM 0 HB1 ALA A 29 9.244 9.783 -3.734 1.00 75.24 H new ATOM 0 HB2 ALA A 29 8.543 9.263 -2.183 1.00 75.24 H new ATOM 0 HB3 ALA A 29 8.544 8.154 -3.575 1.00 75.24 H new ATOM 476 N GLU A 30 6.800 8.519 -5.781 1.00 55.55 N ATOM 477 CA GLU A 30 6.614 8.340 -7.223 1.00 12.32 C ATOM 478 C GLU A 30 5.130 8.426 -7.607 1.00 42.23 C ATOM 479 O GLU A 30 4.245 8.311 -6.754 1.00 34.23 O ATOM 480 CB GLU A 30 7.190 6.989 -7.675 1.00 23.20 C ATOM 481 CG GLU A 30 8.689 6.841 -7.429 1.00 53.11 C ATOM 482 CD GLU A 30 9.514 7.927 -8.107 1.00 2.45 C ATOM 483 OE1 GLU A 30 9.353 8.134 -9.331 1.00 53.44 O ATOM 484 OE2 GLU A 30 10.324 8.584 -7.419 1.00 11.52 O ATOM 0 H GLU A 30 6.789 7.649 -5.249 1.00 55.55 H new ATOM 0 HA GLU A 30 7.148 9.145 -7.728 1.00 12.32 H new ATOM 0 HB2 GLU A 30 6.666 6.189 -7.153 1.00 23.20 H new ATOM 0 HB3 GLU A 30 6.992 6.859 -8.739 1.00 23.20 H new ATOM 0 HG2 GLU A 30 8.879 6.865 -6.356 1.00 53.11 H new ATOM 0 HG3 GLU A 30 9.016 5.866 -7.790 1.00 53.11 H new ATOM 491 N ASP A 31 4.864 8.614 -8.898 1.00 45.25 N ATOM 492 CA ASP A 31 3.493 8.756 -9.407 1.00 52.14 C ATOM 493 C ASP A 31 2.615 7.531 -9.084 1.00 31.34 C ATOM 494 O ASP A 31 1.425 7.665 -8.801 1.00 44.42 O ATOM 495 CB ASP A 31 3.529 8.986 -10.924 1.00 3.52 C ATOM 496 CG ASP A 31 2.140 9.113 -11.527 1.00 64.24 C ATOM 497 OD1 ASP A 31 1.553 10.214 -11.450 1.00 24.43 O ATOM 498 OD2 ASP A 31 1.626 8.114 -12.077 1.00 71.12 O ATOM 0 H ASP A 31 5.583 8.672 -9.619 1.00 45.25 H new ATOM 0 HA ASP A 31 3.045 9.614 -8.906 1.00 52.14 H new ATOM 0 HB2 ASP A 31 4.098 9.891 -11.138 1.00 3.52 H new ATOM 0 HB3 ASP A 31 4.054 8.159 -11.401 1.00 3.52 H new ATOM 503 N ASN A 32 3.209 6.342 -9.128 1.00 35.32 N ATOM 504 CA ASN A 32 2.454 5.090 -8.975 1.00 31.23 C ATOM 505 C ASN A 32 2.458 4.557 -7.533 1.00 74.25 C ATOM 506 O ASN A 32 2.176 3.381 -7.308 1.00 44.30 O ATOM 507 CB ASN A 32 3.017 4.026 -9.930 1.00 12.45 C ATOM 508 CG ASN A 32 4.495 3.749 -9.710 1.00 70.11 C ATOM 509 OD1 ASN A 32 5.249 4.614 -9.281 1.00 21.42 O ATOM 510 ND2 ASN A 32 4.924 2.539 -10.013 1.00 12.30 N ATOM 0 H ASN A 32 4.211 6.213 -9.268 1.00 35.32 H new ATOM 0 HA ASN A 32 1.416 5.310 -9.225 1.00 31.23 H new ATOM 0 HB2 ASN A 32 2.457 3.100 -9.803 1.00 12.45 H new ATOM 0 HB3 ASN A 32 2.864 4.352 -10.959 1.00 12.45 H new ATOM 0 HD21 ASN A 32 5.909 2.302 -9.892 1.00 12.30 H new ATOM 0 HD22 ASN A 32 4.271 1.840 -10.368 1.00 12.30 H new ATOM 517 N GLU A 33 2.756 5.411 -6.556 1.00 34.02 N ATOM 518 CA GLU A 33 2.746 4.988 -5.144 1.00 11.54 C ATOM 519 C GLU A 33 1.492 5.482 -4.396 1.00 32.10 C ATOM 520 O GLU A 33 0.786 6.386 -4.857 1.00 44.51 O ATOM 521 CB GLU A 33 4.012 5.463 -4.414 1.00 55.13 C ATOM 522 CG GLU A 33 5.303 4.876 -4.980 1.00 44.44 C ATOM 523 CD GLU A 33 6.514 5.144 -4.097 1.00 22.34 C ATOM 524 OE1 GLU A 33 6.852 6.328 -3.889 1.00 1.13 O ATOM 525 OE2 GLU A 33 7.139 4.172 -3.621 1.00 4.33 O ATOM 0 H GLU A 33 3.005 6.389 -6.705 1.00 34.02 H new ATOM 0 HA GLU A 33 2.726 3.898 -5.147 1.00 11.54 H new ATOM 0 HB2 GLU A 33 4.064 6.551 -4.466 1.00 55.13 H new ATOM 0 HB3 GLU A 33 3.934 5.198 -3.360 1.00 55.13 H new ATOM 0 HG2 GLU A 33 5.182 3.800 -5.105 1.00 44.44 H new ATOM 0 HG3 GLU A 33 5.482 5.294 -5.970 1.00 44.44 H new ATOM 532 N LEU A 34 1.225 4.875 -3.236 1.00 52.34 N ATOM 533 CA LEU A 34 0.027 5.197 -2.441 1.00 4.35 C ATOM 534 C LEU A 34 0.399 5.904 -1.114 1.00 35.55 C ATOM 535 O LEU A 34 1.285 5.453 -0.385 1.00 5.13 O ATOM 536 CB LEU A 34 -0.768 3.901 -2.155 1.00 31.31 C ATOM 537 CG LEU A 34 -2.306 4.022 -2.214 1.00 3.13 C ATOM 538 CD1 LEU A 34 -2.964 2.695 -1.840 1.00 2.02 C ATOM 539 CD2 LEU A 34 -2.812 5.148 -1.314 1.00 41.31 C ATOM 0 H LEU A 34 1.820 4.157 -2.823 1.00 52.34 H new ATOM 0 HA LEU A 34 -0.592 5.885 -3.017 1.00 4.35 H new ATOM 0 HB2 LEU A 34 -0.456 3.141 -2.872 1.00 31.31 H new ATOM 0 HB3 LEU A 34 -0.490 3.539 -1.165 1.00 31.31 H new ATOM 0 HG LEU A 34 -2.581 4.269 -3.239 1.00 3.13 H new ATOM 0 HD11 LEU A 34 -4.048 2.800 -1.887 1.00 2.02 H new ATOM 0 HD12 LEU A 34 -2.644 1.921 -2.537 1.00 2.02 H new ATOM 0 HD13 LEU A 34 -2.670 2.416 -0.828 1.00 2.02 H new ATOM 0 HD21 LEU A 34 -3.899 5.206 -1.379 1.00 41.31 H new ATOM 0 HD22 LEU A 34 -2.521 4.948 -0.283 1.00 41.31 H new ATOM 0 HD23 LEU A 34 -2.378 6.095 -1.637 1.00 41.31 H new ATOM 551 N THR A 35 -0.291 7.006 -0.810 1.00 23.53 N ATOM 552 CA THR A 35 -0.050 7.776 0.429 1.00 73.23 C ATOM 553 C THR A 35 -1.040 7.404 1.546 1.00 52.20 C ATOM 554 O THR A 35 -2.246 7.595 1.399 1.00 42.44 O ATOM 555 CB THR A 35 -0.170 9.302 0.176 1.00 3.13 C ATOM 556 OG1 THR A 35 0.783 9.713 -0.810 1.00 44.33 O ATOM 557 CG2 THR A 35 0.050 10.101 1.463 1.00 14.31 C ATOM 0 H THR A 35 -1.026 7.392 -1.403 1.00 23.53 H new ATOM 0 HA THR A 35 0.962 7.523 0.744 1.00 73.23 H new ATOM 0 HB THR A 35 -1.180 9.501 -0.183 1.00 3.13 H new ATOM 0 HG1 THR A 35 1.259 10.509 -0.493 1.00 44.33 H new ATOM 0 HG21 THR A 35 -0.041 11.166 1.250 1.00 14.31 H new ATOM 0 HG22 THR A 35 -0.698 9.814 2.202 1.00 14.31 H new ATOM 0 HG23 THR A 35 1.046 9.893 1.855 1.00 14.31 H new ATOM 565 N PHE A 36 -0.526 6.891 2.670 1.00 35.55 N ATOM 566 CA PHE A 36 -1.364 6.596 3.843 1.00 2.14 C ATOM 567 C PHE A 36 -0.531 6.513 5.137 1.00 34.12 C ATOM 568 O PHE A 36 0.694 6.649 5.113 1.00 73.10 O ATOM 569 CB PHE A 36 -2.175 5.301 3.635 1.00 2.20 C ATOM 570 CG PHE A 36 -1.354 4.113 3.210 1.00 62.22 C ATOM 571 CD1 PHE A 36 -0.702 3.325 4.144 1.00 23.44 C ATOM 572 CD2 PHE A 36 -1.248 3.778 1.870 1.00 45.12 C ATOM 573 CE1 PHE A 36 0.038 2.231 3.748 1.00 10.12 C ATOM 574 CE2 PHE A 36 -0.508 2.688 1.467 1.00 41.21 C ATOM 575 CZ PHE A 36 0.136 1.911 2.407 1.00 12.21 C ATOM 0 H PHE A 36 0.462 6.671 2.794 1.00 35.55 H new ATOM 0 HA PHE A 36 -2.063 7.425 3.954 1.00 2.14 H new ATOM 0 HB2 PHE A 36 -2.691 5.057 4.564 1.00 2.20 H new ATOM 0 HB3 PHE A 36 -2.942 5.484 2.883 1.00 2.20 H new ATOM 0 HD1 PHE A 36 -0.774 3.570 5.193 1.00 23.44 H new ATOM 0 HD2 PHE A 36 -1.753 4.381 1.130 1.00 45.12 H new ATOM 0 HE1 PHE A 36 0.541 1.624 4.486 1.00 10.12 H new ATOM 0 HE2 PHE A 36 -0.432 2.443 0.418 1.00 41.21 H new ATOM 0 HZ PHE A 36 0.716 1.054 2.096 1.00 12.21 H new ATOM 585 N LYS A 37 -1.211 6.312 6.266 1.00 2.10 N ATOM 586 CA LYS A 37 -0.552 6.265 7.583 1.00 54.42 C ATOM 587 C LYS A 37 -0.417 4.825 8.113 1.00 25.02 C ATOM 588 O LYS A 37 -0.945 3.876 7.530 1.00 21.15 O ATOM 589 CB LYS A 37 -1.349 7.108 8.591 1.00 23.54 C ATOM 590 CG LYS A 37 -1.519 8.569 8.187 1.00 62.21 C ATOM 591 CD LYS A 37 -0.188 9.313 8.137 1.00 35.43 C ATOM 592 CE LYS A 37 -0.363 10.744 7.637 1.00 41.53 C ATOM 593 NZ LYS A 37 -1.262 11.544 8.514 1.00 23.02 N ATOM 0 H LYS A 37 -2.222 6.178 6.301 1.00 2.10 H new ATOM 0 HA LYS A 37 0.453 6.670 7.462 1.00 54.42 H new ATOM 0 HB2 LYS A 37 -2.335 6.662 8.722 1.00 23.54 H new ATOM 0 HB3 LYS A 37 -0.849 7.066 9.559 1.00 23.54 H new ATOM 0 HG2 LYS A 37 -1.999 8.620 7.210 1.00 62.21 H new ATOM 0 HG3 LYS A 37 -2.184 9.065 8.895 1.00 62.21 H new ATOM 0 HD2 LYS A 37 0.260 9.326 9.131 1.00 35.43 H new ATOM 0 HD3 LYS A 37 0.503 8.780 7.483 1.00 35.43 H new ATOM 0 HE2 LYS A 37 0.612 11.229 7.581 1.00 41.53 H new ATOM 0 HE3 LYS A 37 -0.768 10.726 6.625 1.00 41.53 H new ATOM 0 HZ1 LYS A 37 -1.231 12.542 8.225 1.00 23.02 H new ATOM 0 HZ2 LYS A 37 -2.236 11.189 8.429 1.00 23.02 H new ATOM 0 HZ3 LYS A 37 -0.948 11.460 9.502 1.00 23.02 H new ATOM 607 N ALA A 38 0.282 4.677 9.237 1.00 43.34 N ATOM 608 CA ALA A 38 0.488 3.366 9.863 1.00 43.11 C ATOM 609 C ALA A 38 -0.793 2.851 10.541 1.00 33.04 C ATOM 610 O ALA A 38 -1.597 3.629 11.066 1.00 34.10 O ATOM 611 CB ALA A 38 1.633 3.437 10.868 1.00 53.51 C ATOM 0 H ALA A 38 0.718 5.451 9.737 1.00 43.34 H new ATOM 0 HA ALA A 38 0.748 2.658 9.076 1.00 43.11 H new ATOM 0 HB1 ALA A 38 1.776 2.458 11.326 1.00 53.51 H new ATOM 0 HB2 ALA A 38 2.548 3.736 10.357 1.00 53.51 H new ATOM 0 HB3 ALA A 38 1.394 4.168 11.641 1.00 53.51 H new ATOM 617 N GLY A 39 -0.981 1.534 10.515 1.00 31.23 N ATOM 618 CA GLY A 39 -2.136 0.917 11.158 1.00 11.45 C ATOM 619 C GLY A 39 -3.333 0.737 10.226 1.00 63.03 C ATOM 620 O GLY A 39 -4.245 -0.036 10.524 1.00 44.31 O ATOM 0 H GLY A 39 -0.350 0.876 10.057 1.00 31.23 H new ATOM 0 HA2 GLY A 39 -1.844 -0.056 11.553 1.00 11.45 H new ATOM 0 HA3 GLY A 39 -2.437 1.529 12.008 1.00 11.45 H new ATOM 624 N GLU A 40 -3.326 1.438 9.098 1.00 12.22 N ATOM 625 CA GLU A 40 -4.446 1.391 8.148 1.00 20.10 C ATOM 626 C GLU A 40 -4.551 0.031 7.444 1.00 43.23 C ATOM 627 O GLU A 40 -3.552 -0.667 7.257 1.00 10.21 O ATOM 628 CB GLU A 40 -4.298 2.509 7.105 1.00 72.42 C ATOM 629 CG GLU A 40 -4.297 3.914 7.704 1.00 50.43 C ATOM 630 CD GLU A 40 -5.532 4.196 8.546 1.00 4.22 C ATOM 631 OE1 GLU A 40 -6.613 4.443 7.966 1.00 72.23 O ATOM 632 OE2 GLU A 40 -5.432 4.167 9.792 1.00 62.03 O ATOM 0 H GLU A 40 -2.560 2.048 8.813 1.00 12.22 H new ATOM 0 HA GLU A 40 -5.363 1.538 8.718 1.00 20.10 H new ATOM 0 HB2 GLU A 40 -3.370 2.358 6.554 1.00 72.42 H new ATOM 0 HB3 GLU A 40 -5.113 2.432 6.385 1.00 72.42 H new ATOM 0 HG2 GLU A 40 -3.406 4.041 8.319 1.00 50.43 H new ATOM 0 HG3 GLU A 40 -4.236 4.647 6.900 1.00 50.43 H new ATOM 639 N ILE A 41 -5.774 -0.336 7.059 1.00 51.33 N ATOM 640 CA ILE A 41 -6.030 -1.596 6.351 1.00 55.20 C ATOM 641 C ILE A 41 -6.173 -1.356 4.834 1.00 64.21 C ATOM 642 O ILE A 41 -7.215 -0.894 4.357 1.00 53.22 O ATOM 643 CB ILE A 41 -7.313 -2.294 6.882 1.00 42.44 C ATOM 644 CG1 ILE A 41 -7.242 -2.480 8.409 1.00 62.13 C ATOM 645 CG2 ILE A 41 -7.520 -3.641 6.186 1.00 33.43 C ATOM 646 CD1 ILE A 41 -6.111 -3.373 8.872 1.00 32.42 C ATOM 0 H ILE A 41 -6.610 0.224 7.226 1.00 51.33 H new ATOM 0 HA ILE A 41 -5.174 -2.246 6.534 1.00 55.20 H new ATOM 0 HB ILE A 41 -8.166 -1.655 6.656 1.00 42.44 H new ATOM 0 HG12 ILE A 41 -7.134 -1.502 8.878 1.00 62.13 H new ATOM 0 HG13 ILE A 41 -8.186 -2.898 8.757 1.00 62.13 H new ATOM 0 HG21 ILE A 41 -8.423 -4.115 6.571 1.00 33.43 H new ATOM 0 HG22 ILE A 41 -7.622 -3.484 5.112 1.00 33.43 H new ATOM 0 HG23 ILE A 41 -6.662 -4.285 6.378 1.00 33.43 H new ATOM 0 HD11 ILE A 41 -6.131 -3.452 9.959 1.00 32.42 H new ATOM 0 HD12 ILE A 41 -6.227 -4.364 8.434 1.00 32.42 H new ATOM 0 HD13 ILE A 41 -5.159 -2.947 8.557 1.00 32.42 H new ATOM 658 N ILE A 42 -5.120 -1.662 4.084 1.00 12.54 N ATOM 659 CA ILE A 42 -5.115 -1.458 2.633 1.00 72.24 C ATOM 660 C ILE A 42 -5.596 -2.719 1.897 1.00 72.42 C ATOM 661 O ILE A 42 -5.043 -3.803 2.074 1.00 35.43 O ATOM 662 CB ILE A 42 -3.699 -1.084 2.099 1.00 44.24 C ATOM 663 CG1 ILE A 42 -3.154 0.186 2.783 1.00 30.13 C ATOM 664 CG2 ILE A 42 -3.727 -0.898 0.580 1.00 23.30 C ATOM 665 CD1 ILE A 42 -2.685 -0.022 4.210 1.00 33.22 C ATOM 0 H ILE A 42 -4.254 -2.054 4.455 1.00 12.54 H new ATOM 0 HA ILE A 42 -5.796 -0.630 2.439 1.00 72.24 H new ATOM 0 HB ILE A 42 -3.029 -1.909 2.340 1.00 44.24 H new ATOM 0 HG12 ILE A 42 -2.323 0.573 2.193 1.00 30.13 H new ATOM 0 HG13 ILE A 42 -3.932 0.949 2.777 1.00 30.13 H new ATOM 0 HG21 ILE A 42 -2.729 -0.637 0.227 1.00 23.30 H new ATOM 0 HG22 ILE A 42 -4.049 -1.825 0.106 1.00 23.30 H new ATOM 0 HG23 ILE A 42 -4.423 -0.099 0.324 1.00 23.30 H new ATOM 0 HD11 ILE A 42 -2.318 0.922 4.614 1.00 33.22 H new ATOM 0 HD12 ILE A 42 -3.517 -0.378 4.818 1.00 33.22 H new ATOM 0 HD13 ILE A 42 -1.883 -0.760 4.225 1.00 33.22 H new ATOM 677 N THR A 43 -6.629 -2.575 1.073 1.00 74.23 N ATOM 678 CA THR A 43 -7.105 -3.691 0.248 1.00 13.52 C ATOM 679 C THR A 43 -6.271 -3.789 -1.033 1.00 4.31 C ATOM 680 O THR A 43 -6.384 -2.942 -1.920 1.00 4.23 O ATOM 681 CB THR A 43 -8.599 -3.529 -0.136 1.00 1.41 C ATOM 682 OG1 THR A 43 -9.398 -3.343 1.046 1.00 0.24 O ATOM 683 CG2 THR A 43 -9.108 -4.749 -0.898 1.00 2.05 C ATOM 0 H THR A 43 -7.152 -1.707 0.956 1.00 74.23 H new ATOM 0 HA THR A 43 -6.998 -4.600 0.840 1.00 13.52 H new ATOM 0 HB THR A 43 -8.683 -2.653 -0.780 1.00 1.41 H new ATOM 0 HG1 THR A 43 -10.339 -3.240 0.792 1.00 0.24 H new ATOM 0 HG21 THR A 43 -10.158 -4.606 -1.154 1.00 2.05 H new ATOM 0 HG22 THR A 43 -8.526 -4.876 -1.811 1.00 2.05 H new ATOM 0 HG23 THR A 43 -9.004 -5.637 -0.274 1.00 2.05 H new ATOM 691 N VAL A 44 -5.426 -4.813 -1.127 1.00 60.14 N ATOM 692 CA VAL A 44 -4.561 -4.990 -2.298 1.00 51.53 C ATOM 693 C VAL A 44 -5.247 -5.854 -3.373 1.00 62.44 C ATOM 694 O VAL A 44 -5.425 -7.063 -3.212 1.00 12.41 O ATOM 695 CB VAL A 44 -3.173 -5.583 -1.907 1.00 22.34 C ATOM 696 CG1 VAL A 44 -3.321 -6.840 -1.060 1.00 74.00 C ATOM 697 CG2 VAL A 44 -2.325 -5.862 -3.147 1.00 63.52 C ATOM 0 H VAL A 44 -5.320 -5.532 -0.411 1.00 60.14 H new ATOM 0 HA VAL A 44 -4.386 -4.001 -2.722 1.00 51.53 H new ATOM 0 HB VAL A 44 -2.658 -4.835 -1.304 1.00 22.34 H new ATOM 0 HG11 VAL A 44 -2.334 -7.226 -0.806 1.00 74.00 H new ATOM 0 HG12 VAL A 44 -3.863 -6.601 -0.145 1.00 74.00 H new ATOM 0 HG13 VAL A 44 -3.872 -7.594 -1.622 1.00 74.00 H new ATOM 0 HG21 VAL A 44 -1.363 -6.275 -2.844 1.00 63.52 H new ATOM 0 HG22 VAL A 44 -2.841 -6.577 -3.788 1.00 63.52 H new ATOM 0 HG23 VAL A 44 -2.165 -4.933 -3.695 1.00 63.52 H new ATOM 707 N LEU A 45 -5.641 -5.211 -4.470 1.00 42.43 N ATOM 708 CA LEU A 45 -6.384 -5.876 -5.548 1.00 31.43 C ATOM 709 C LEU A 45 -5.450 -6.628 -6.507 1.00 34.43 C ATOM 710 O LEU A 45 -5.901 -7.421 -7.338 1.00 23.43 O ATOM 711 CB LEU A 45 -7.204 -4.840 -6.332 1.00 13.31 C ATOM 712 CG LEU A 45 -8.179 -3.999 -5.492 1.00 63.24 C ATOM 713 CD1 LEU A 45 -8.915 -2.988 -6.371 1.00 64.25 C ATOM 714 CD2 LEU A 45 -9.168 -4.897 -4.750 1.00 24.40 C ATOM 0 H LEU A 45 -5.458 -4.222 -4.640 1.00 42.43 H new ATOM 0 HA LEU A 45 -7.050 -6.607 -5.089 1.00 31.43 H new ATOM 0 HB2 LEU A 45 -6.515 -4.166 -6.841 1.00 13.31 H new ATOM 0 HB3 LEU A 45 -7.771 -5.359 -7.104 1.00 13.31 H new ATOM 0 HG LEU A 45 -7.602 -3.447 -4.750 1.00 63.24 H new ATOM 0 HD11 LEU A 45 -9.600 -2.403 -5.757 1.00 64.25 H new ATOM 0 HD12 LEU A 45 -8.192 -2.323 -6.843 1.00 64.25 H new ATOM 0 HD13 LEU A 45 -9.478 -3.517 -7.140 1.00 64.25 H new ATOM 0 HD21 LEU A 45 -9.848 -4.281 -4.162 1.00 24.40 H new ATOM 0 HD22 LEU A 45 -9.739 -5.482 -5.471 1.00 24.40 H new ATOM 0 HD23 LEU A 45 -8.623 -5.569 -4.087 1.00 24.40 H new ATOM 726 N ASP A 46 -4.149 -6.367 -6.401 1.00 2.23 N ATOM 727 CA ASP A 46 -3.165 -7.009 -7.269 1.00 23.11 C ATOM 728 C ASP A 46 -1.847 -7.275 -6.522 1.00 41.54 C ATOM 729 O ASP A 46 -1.006 -6.387 -6.384 1.00 72.51 O ATOM 730 CB ASP A 46 -2.910 -6.136 -8.509 1.00 12.54 C ATOM 731 CG ASP A 46 -2.112 -6.861 -9.578 1.00 42.42 C ATOM 732 OD1 ASP A 46 -0.869 -6.889 -9.487 1.00 2.21 O ATOM 733 OD2 ASP A 46 -2.726 -7.412 -10.518 1.00 44.11 O ATOM 0 H ASP A 46 -3.752 -5.716 -5.723 1.00 2.23 H new ATOM 0 HA ASP A 46 -3.568 -7.971 -7.585 1.00 23.11 H new ATOM 0 HB2 ASP A 46 -3.865 -5.817 -8.927 1.00 12.54 H new ATOM 0 HB3 ASP A 46 -2.375 -5.234 -8.210 1.00 12.54 H new ATOM 738 N ASP A 47 -1.701 -8.494 -6.008 1.00 43.11 N ATOM 739 CA ASP A 47 -0.443 -8.944 -5.395 1.00 32.43 C ATOM 740 C ASP A 47 0.333 -9.854 -6.367 1.00 61.52 C ATOM 741 O ASP A 47 1.164 -10.669 -5.959 1.00 42.30 O ATOM 742 CB ASP A 47 -0.734 -9.678 -4.075 1.00 34.44 C ATOM 743 CG ASP A 47 -1.740 -10.805 -4.246 1.00 51.32 C ATOM 744 OD1 ASP A 47 -1.328 -11.947 -4.534 1.00 53.12 O ATOM 745 OD2 ASP A 47 -2.954 -10.553 -4.097 1.00 32.41 O ATOM 0 H ASP A 47 -2.441 -9.196 -6.002 1.00 43.11 H new ATOM 0 HA ASP A 47 0.176 -8.073 -5.178 1.00 32.43 H new ATOM 0 HB2 ASP A 47 0.196 -10.083 -3.675 1.00 34.44 H new ATOM 0 HB3 ASP A 47 -1.113 -8.965 -3.342 1.00 34.44 H new ATOM 750 N SER A 48 0.070 -9.668 -7.662 1.00 60.13 N ATOM 751 CA SER A 48 0.644 -10.506 -8.726 1.00 23.13 C ATOM 752 C SER A 48 2.178 -10.473 -8.729 1.00 21.42 C ATOM 753 O SER A 48 2.830 -11.492 -8.964 1.00 41.13 O ATOM 754 CB SER A 48 0.114 -10.044 -10.091 1.00 72.33 C ATOM 755 OG SER A 48 0.602 -10.847 -11.160 1.00 63.22 O ATOM 0 H SER A 48 -0.547 -8.933 -8.007 1.00 60.13 H new ATOM 0 HA SER A 48 0.339 -11.535 -8.533 1.00 23.13 H new ATOM 0 HB2 SER A 48 -0.976 -10.075 -10.085 1.00 72.33 H new ATOM 0 HB3 SER A 48 0.403 -9.006 -10.258 1.00 72.33 H new ATOM 0 HG SER A 48 0.238 -10.518 -12.009 1.00 63.22 H new ATOM 761 N ASP A 49 2.749 -9.301 -8.473 1.00 1.20 N ATOM 762 CA ASP A 49 4.205 -9.138 -8.450 1.00 24.32 C ATOM 763 C ASP A 49 4.727 -9.135 -7.000 1.00 1.23 C ATOM 764 O ASP A 49 4.303 -8.313 -6.189 1.00 21.32 O ATOM 765 CB ASP A 49 4.591 -7.833 -9.158 1.00 75.40 C ATOM 766 CG ASP A 49 6.087 -7.726 -9.393 1.00 25.32 C ATOM 767 OD1 ASP A 49 6.831 -7.426 -8.437 1.00 40.43 O ATOM 768 OD2 ASP A 49 6.536 -7.953 -10.536 1.00 2.50 O ATOM 0 H ASP A 49 2.228 -8.446 -8.278 1.00 1.20 H new ATOM 0 HA ASP A 49 4.662 -9.977 -8.975 1.00 24.32 H new ATOM 0 HB2 ASP A 49 4.070 -7.773 -10.114 1.00 75.40 H new ATOM 0 HB3 ASP A 49 4.258 -6.985 -8.559 1.00 75.40 H new ATOM 773 N PRO A 50 5.670 -10.039 -6.659 1.00 53.33 N ATOM 774 CA PRO A 50 6.177 -10.177 -5.278 1.00 62.21 C ATOM 775 C PRO A 50 6.756 -8.873 -4.693 1.00 11.51 C ATOM 776 O PRO A 50 6.806 -8.699 -3.474 1.00 61.33 O ATOM 777 CB PRO A 50 7.277 -11.253 -5.401 1.00 41.33 C ATOM 778 CG PRO A 50 7.599 -11.322 -6.859 1.00 15.22 C ATOM 779 CD PRO A 50 6.322 -10.988 -7.580 1.00 24.42 C ATOM 0 HA PRO A 50 5.372 -10.439 -4.592 1.00 62.21 H new ATOM 0 HB2 PRO A 50 8.157 -10.985 -4.816 1.00 41.33 H new ATOM 0 HB3 PRO A 50 6.928 -12.216 -5.029 1.00 41.33 H new ATOM 0 HG2 PRO A 50 8.389 -10.618 -7.118 1.00 15.22 H new ATOM 0 HG3 PRO A 50 7.954 -12.315 -7.134 1.00 15.22 H new ATOM 0 HD2 PRO A 50 6.513 -10.540 -8.555 1.00 24.42 H new ATOM 0 HD3 PRO A 50 5.709 -11.873 -7.750 1.00 24.42 H new ATOM 787 N ASN A 51 7.194 -7.958 -5.559 1.00 3.22 N ATOM 788 CA ASN A 51 7.777 -6.687 -5.108 1.00 31.33 C ATOM 789 C ASN A 51 6.827 -5.497 -5.331 1.00 73.54 C ATOM 790 O ASN A 51 7.002 -4.442 -4.724 1.00 62.42 O ATOM 791 CB ASN A 51 9.105 -6.429 -5.828 1.00 24.21 C ATOM 792 CG ASN A 51 10.117 -7.535 -5.580 1.00 43.04 C ATOM 793 OD1 ASN A 51 10.852 -7.517 -4.596 1.00 22.03 O ATOM 794 ND2 ASN A 51 10.170 -8.505 -6.470 1.00 63.34 N ATOM 0 H ASN A 51 7.158 -8.069 -6.572 1.00 3.22 H new ATOM 0 HA ASN A 51 7.949 -6.776 -4.035 1.00 31.33 H new ATOM 0 HB2 ASN A 51 8.924 -6.338 -6.899 1.00 24.21 H new ATOM 0 HB3 ASN A 51 9.519 -5.478 -5.493 1.00 24.21 H new ATOM 0 HD21 ASN A 51 10.835 -9.269 -6.352 1.00 63.34 H new ATOM 0 HD22 ASN A 51 9.546 -8.492 -7.277 1.00 63.34 H new ATOM 801 N TRP A 52 5.831 -5.660 -6.202 1.00 20.13 N ATOM 802 CA TRP A 52 4.902 -4.565 -6.530 1.00 43.20 C ATOM 803 C TRP A 52 3.432 -4.958 -6.286 1.00 43.15 C ATOM 804 O TRP A 52 2.798 -5.603 -7.125 1.00 12.11 O ATOM 805 CB TRP A 52 5.092 -4.120 -7.990 1.00 13.24 C ATOM 806 CG TRP A 52 6.436 -3.505 -8.268 1.00 52.23 C ATOM 807 CD1 TRP A 52 7.598 -4.162 -8.562 1.00 42.05 C ATOM 808 CD2 TRP A 52 6.752 -2.106 -8.279 1.00 3.11 C ATOM 809 NE1 TRP A 52 8.614 -3.258 -8.755 1.00 41.42 N ATOM 810 CE2 TRP A 52 8.122 -1.991 -8.587 1.00 73.43 C ATOM 811 CE3 TRP A 52 6.015 -0.940 -8.061 1.00 70.34 C ATOM 812 CZ2 TRP A 52 8.765 -0.759 -8.682 1.00 71.42 C ATOM 813 CZ3 TRP A 52 6.652 0.283 -8.154 1.00 70.22 C ATOM 814 CH2 TRP A 52 8.017 0.364 -8.464 1.00 34.43 C ATOM 0 H TRP A 52 5.643 -6.533 -6.694 1.00 20.13 H new ATOM 0 HA TRP A 52 5.136 -3.734 -5.864 1.00 43.20 H new ATOM 0 HB2 TRP A 52 4.955 -4.982 -8.643 1.00 13.24 H new ATOM 0 HB3 TRP A 52 4.314 -3.400 -8.245 1.00 13.24 H new ATOM 0 HD1 TRP A 52 7.702 -5.235 -8.632 1.00 42.05 H new ATOM 0 HE1 TRP A 52 9.579 -3.493 -8.986 1.00 41.42 H new ATOM 0 HE3 TRP A 52 4.963 -0.993 -7.823 1.00 70.34 H new ATOM 0 HZ2 TRP A 52 9.817 -0.694 -8.919 1.00 71.42 H new ATOM 0 HZ3 TRP A 52 6.090 1.190 -7.985 1.00 70.22 H new ATOM 0 HH2 TRP A 52 8.487 1.334 -8.532 1.00 34.43 H new ATOM 825 N TRP A 53 2.903 -4.560 -5.126 1.00 5.42 N ATOM 826 CA TRP A 53 1.490 -4.788 -4.776 1.00 14.32 C ATOM 827 C TRP A 53 0.648 -3.524 -5.010 1.00 12.52 C ATOM 828 O TRP A 53 1.085 -2.411 -4.710 1.00 2.21 O ATOM 829 CB TRP A 53 1.367 -5.224 -3.308 1.00 43.12 C ATOM 830 CG TRP A 53 1.859 -6.617 -3.037 1.00 5.03 C ATOM 831 CD1 TRP A 53 2.587 -7.413 -3.874 1.00 14.40 C ATOM 832 CD2 TRP A 53 1.653 -7.377 -1.842 1.00 1.34 C ATOM 833 NE1 TRP A 53 2.840 -8.621 -3.275 1.00 62.33 N ATOM 834 CE2 TRP A 53 2.280 -8.623 -2.026 1.00 74.41 C ATOM 835 CE3 TRP A 53 0.998 -7.124 -0.634 1.00 72.24 C ATOM 836 CZ2 TRP A 53 2.268 -9.614 -1.046 1.00 22.32 C ATOM 837 CZ3 TRP A 53 0.990 -8.108 0.338 1.00 64.15 C ATOM 838 CH2 TRP A 53 1.619 -9.339 0.128 1.00 42.03 C ATOM 0 H TRP A 53 3.434 -4.073 -4.404 1.00 5.42 H new ATOM 0 HA TRP A 53 1.112 -5.580 -5.422 1.00 14.32 H new ATOM 0 HB2 TRP A 53 1.926 -4.526 -2.685 1.00 43.12 H new ATOM 0 HB3 TRP A 53 0.322 -5.155 -3.006 1.00 43.12 H new ATOM 0 HD1 TRP A 53 2.916 -7.132 -4.864 1.00 14.40 H new ATOM 0 HE1 TRP A 53 3.361 -9.392 -3.693 1.00 62.33 H new ATOM 0 HE3 TRP A 53 0.507 -6.178 -0.462 1.00 72.24 H new ATOM 0 HZ2 TRP A 53 2.753 -10.565 -1.207 1.00 22.32 H new ATOM 0 HZ3 TRP A 53 0.489 -7.922 1.276 1.00 64.15 H new ATOM 0 HH2 TRP A 53 1.592 -10.087 0.906 1.00 42.03 H new ATOM 849 N LYS A 54 -0.568 -3.709 -5.528 1.00 43.14 N ATOM 850 CA LYS A 54 -1.463 -2.587 -5.856 1.00 61.00 C ATOM 851 C LYS A 54 -2.694 -2.553 -4.933 1.00 53.32 C ATOM 852 O LYS A 54 -3.516 -3.475 -4.943 1.00 72.32 O ATOM 853 CB LYS A 54 -1.903 -2.694 -7.322 1.00 61.14 C ATOM 854 CG LYS A 54 -2.713 -1.505 -7.826 1.00 14.23 C ATOM 855 CD LYS A 54 -3.011 -1.642 -9.315 1.00 11.23 C ATOM 856 CE LYS A 54 -3.738 -0.425 -9.868 1.00 11.31 C ATOM 857 NZ LYS A 54 -3.888 -0.496 -11.344 1.00 64.34 N ATOM 0 H LYS A 54 -0.961 -4.628 -5.732 1.00 43.14 H new ATOM 0 HA LYS A 54 -0.914 -1.658 -5.703 1.00 61.00 H new ATOM 0 HB2 LYS A 54 -1.017 -2.805 -7.947 1.00 61.14 H new ATOM 0 HB3 LYS A 54 -2.496 -3.600 -7.445 1.00 61.14 H new ATOM 0 HG2 LYS A 54 -3.647 -1.434 -7.269 1.00 14.23 H new ATOM 0 HG3 LYS A 54 -2.163 -0.582 -7.645 1.00 14.23 H new ATOM 0 HD2 LYS A 54 -2.077 -1.784 -9.859 1.00 11.23 H new ATOM 0 HD3 LYS A 54 -3.617 -2.533 -9.483 1.00 11.23 H new ATOM 0 HE2 LYS A 54 -4.722 -0.348 -9.406 1.00 11.31 H new ATOM 0 HE3 LYS A 54 -3.189 0.478 -9.601 1.00 11.31 H new ATOM 0 HZ1 LYS A 54 -4.388 0.351 -11.683 1.00 64.34 H new ATOM 0 HZ2 LYS A 54 -2.948 -0.544 -11.787 1.00 64.34 H new ATOM 0 HZ3 LYS A 54 -4.433 -1.345 -11.597 1.00 64.34 H new ATOM 871 N GLY A 55 -2.828 -1.481 -4.154 1.00 15.40 N ATOM 872 CA GLY A 55 -3.927 -1.368 -3.200 1.00 42.12 C ATOM 873 C GLY A 55 -4.886 -0.210 -3.488 1.00 4.33 C ATOM 874 O GLY A 55 -4.549 0.730 -4.214 1.00 44.15 O ATOM 0 H GLY A 55 -2.193 -0.683 -4.165 1.00 15.40 H new ATOM 0 HA2 GLY A 55 -4.491 -2.301 -3.199 1.00 42.12 H new ATOM 0 HA3 GLY A 55 -3.514 -1.244 -2.199 1.00 42.12 H new ATOM 878 N GLU A 56 -6.087 -0.284 -2.909 1.00 31.42 N ATOM 879 CA GLU A 56 -7.113 0.758 -3.070 1.00 70.41 C ATOM 880 C GLU A 56 -7.531 1.341 -1.707 1.00 63.02 C ATOM 881 O GLU A 56 -7.894 0.602 -0.789 1.00 62.53 O ATOM 882 CB GLU A 56 -8.347 0.176 -3.778 1.00 54.22 C ATOM 883 CG GLU A 56 -9.478 1.180 -3.983 1.00 35.43 C ATOM 884 CD GLU A 56 -10.766 0.534 -4.477 1.00 42.04 C ATOM 885 OE1 GLU A 56 -10.882 0.267 -5.691 1.00 65.51 O ATOM 886 OE2 GLU A 56 -11.676 0.305 -3.651 1.00 0.24 O ATOM 0 H GLU A 56 -6.378 -1.062 -2.318 1.00 31.42 H new ATOM 0 HA GLU A 56 -6.687 1.559 -3.674 1.00 70.41 H new ATOM 0 HB2 GLU A 56 -8.044 -0.217 -4.748 1.00 54.22 H new ATOM 0 HB3 GLU A 56 -8.723 -0.666 -3.196 1.00 54.22 H new ATOM 0 HG2 GLU A 56 -9.674 1.695 -3.043 1.00 35.43 H new ATOM 0 HG3 GLU A 56 -9.159 1.936 -4.700 1.00 35.43 H new ATOM 893 N THR A 57 -7.478 2.669 -1.577 1.00 12.13 N ATOM 894 CA THR A 57 -7.902 3.349 -0.339 1.00 15.32 C ATOM 895 C THR A 57 -8.637 4.662 -0.649 1.00 15.01 C ATOM 896 O THR A 57 -8.672 5.112 -1.795 1.00 15.24 O ATOM 897 CB THR A 57 -6.702 3.698 0.581 1.00 50.12 C ATOM 898 OG1 THR A 57 -5.900 4.724 -0.025 1.00 51.41 O ATOM 899 CG2 THR A 57 -5.832 2.476 0.870 1.00 63.11 C ATOM 0 H THR A 57 -7.147 3.298 -2.309 1.00 12.13 H new ATOM 0 HA THR A 57 -8.563 2.647 0.170 1.00 15.32 H new ATOM 0 HB THR A 57 -7.109 4.054 1.528 1.00 50.12 H new ATOM 0 HG1 THR A 57 -5.889 4.599 -0.997 1.00 51.41 H new ATOM 0 HG21 THR A 57 -5.004 2.764 1.517 1.00 63.11 H new ATOM 0 HG22 THR A 57 -6.431 1.712 1.366 1.00 63.11 H new ATOM 0 HG23 THR A 57 -5.440 2.079 -0.066 1.00 63.11 H new ATOM 907 N HIS A 58 -9.218 5.280 0.382 1.00 64.33 N ATOM 908 CA HIS A 58 -9.795 6.625 0.253 1.00 52.21 C ATOM 909 C HIS A 58 -8.697 7.701 0.268 1.00 1.54 C ATOM 910 O HIS A 58 -8.969 8.886 0.073 1.00 0.22 O ATOM 911 CB HIS A 58 -10.807 6.897 1.373 1.00 63.11 C ATOM 912 CG HIS A 58 -12.089 6.142 1.219 1.00 34.41 C ATOM 913 ND1 HIS A 58 -12.706 5.474 2.254 1.00 25.22 N ATOM 914 CD2 HIS A 58 -12.894 5.979 0.142 1.00 21.31 C ATOM 915 CE1 HIS A 58 -13.828 4.939 1.823 1.00 31.02 C ATOM 916 NE2 HIS A 58 -13.967 5.230 0.546 1.00 51.00 N ATOM 0 H HIS A 58 -9.303 4.874 1.314 1.00 64.33 H new ATOM 0 HA HIS A 58 -10.313 6.669 -0.705 1.00 52.21 H new ATOM 0 HB2 HIS A 58 -10.355 6.637 2.330 1.00 63.11 H new ATOM 0 HB3 HIS A 58 -11.025 7.965 1.403 1.00 63.11 H new ATOM 0 HD2 HIS A 58 -12.722 6.368 -0.851 1.00 21.31 H new ATOM 0 HE1 HIS A 58 -14.519 4.359 2.417 1.00 31.02 H new ATOM 0 HE2 HIS A 58 -14.747 4.944 -0.046 1.00 51.00 H new ATOM 925 N GLN A 59 -7.459 7.279 0.517 1.00 21.42 N ATOM 926 CA GLN A 59 -6.304 8.181 0.475 1.00 51.12 C ATOM 927 C GLN A 59 -5.576 8.085 -0.877 1.00 22.34 C ATOM 928 O GLN A 59 -4.627 8.826 -1.143 1.00 25.31 O ATOM 929 CB GLN A 59 -5.338 7.854 1.625 1.00 63.14 C ATOM 930 CG GLN A 59 -5.937 8.072 3.011 1.00 1.43 C ATOM 931 CD GLN A 59 -6.347 9.515 3.267 1.00 55.35 C ATOM 932 OE1 GLN A 59 -5.759 10.449 2.728 1.00 61.55 O ATOM 933 NE2 GLN A 59 -7.358 9.711 4.088 1.00 14.41 N ATOM 0 H GLN A 59 -7.227 6.314 0.751 1.00 21.42 H new ATOM 0 HA GLN A 59 -6.664 9.203 0.592 1.00 51.12 H new ATOM 0 HB2 GLN A 59 -5.020 6.815 1.536 1.00 63.14 H new ATOM 0 HB3 GLN A 59 -4.445 8.471 1.524 1.00 63.14 H new ATOM 0 HG2 GLN A 59 -6.808 7.427 3.129 1.00 1.43 H new ATOM 0 HG3 GLN A 59 -5.211 7.768 3.765 1.00 1.43 H new ATOM 0 HE21 GLN A 59 -7.826 8.914 4.520 1.00 14.41 H new ATOM 0 HE22 GLN A 59 -7.673 10.659 4.292 1.00 14.41 H new ATOM 942 N GLY A 60 -6.028 7.162 -1.726 1.00 74.13 N ATOM 943 CA GLY A 60 -5.450 7.013 -3.057 1.00 31.23 C ATOM 944 C GLY A 60 -5.435 5.567 -3.545 1.00 62.12 C ATOM 945 O GLY A 60 -5.685 4.634 -2.777 1.00 21.52 O ATOM 0 H GLY A 60 -6.786 6.513 -1.516 1.00 74.13 H new ATOM 0 HA2 GLY A 60 -6.015 7.622 -3.762 1.00 31.23 H new ATOM 0 HA3 GLY A 60 -4.430 7.398 -3.049 1.00 31.23 H new ATOM 949 N ILE A 61 -5.152 5.387 -4.833 1.00 54.11 N ATOM 950 CA ILE A 61 -5.031 4.052 -5.438 1.00 24.04 C ATOM 951 C ILE A 61 -3.673 3.909 -6.149 1.00 34.23 C ATOM 952 O ILE A 61 -3.326 4.728 -7.005 1.00 44.15 O ATOM 953 CB ILE A 61 -6.169 3.759 -6.465 1.00 22.30 C ATOM 954 CG1 ILE A 61 -7.568 3.862 -5.816 1.00 13.52 C ATOM 955 CG2 ILE A 61 -5.978 2.378 -7.092 1.00 73.23 C ATOM 956 CD1 ILE A 61 -8.071 5.282 -5.633 1.00 63.11 C ATOM 0 H ILE A 61 -5.000 6.154 -5.488 1.00 54.11 H new ATOM 0 HA ILE A 61 -5.112 3.332 -4.624 1.00 24.04 H new ATOM 0 HB ILE A 61 -6.109 4.518 -7.245 1.00 22.30 H new ATOM 0 HG12 ILE A 61 -8.282 3.313 -6.431 1.00 13.52 H new ATOM 0 HG13 ILE A 61 -7.541 3.371 -4.843 1.00 13.52 H new ATOM 0 HG21 ILE A 61 -6.780 2.189 -7.806 1.00 73.23 H new ATOM 0 HG22 ILE A 61 -5.018 2.342 -7.606 1.00 73.23 H new ATOM 0 HG23 ILE A 61 -6.000 1.618 -6.311 1.00 73.23 H new ATOM 0 HD11 ILE A 61 -9.058 5.262 -5.172 1.00 63.11 H new ATOM 0 HD12 ILE A 61 -7.382 5.832 -4.992 1.00 63.11 H new ATOM 0 HD13 ILE A 61 -8.134 5.774 -6.604 1.00 63.11 H new ATOM 968 N GLY A 62 -2.903 2.879 -5.801 1.00 43.41 N ATOM 969 CA GLY A 62 -1.597 2.695 -6.425 1.00 33.24 C ATOM 970 C GLY A 62 -0.783 1.546 -5.842 1.00 65.15 C ATOM 971 O GLY A 62 -1.304 0.698 -5.116 1.00 32.24 O ATOM 0 H GLY A 62 -3.154 2.175 -5.107 1.00 43.41 H new ATOM 0 HA2 GLY A 62 -1.738 2.521 -7.492 1.00 33.24 H new ATOM 0 HA3 GLY A 62 -1.026 3.618 -6.325 1.00 33.24 H new ATOM 975 N LEU A 63 0.504 1.529 -6.169 1.00 24.20 N ATOM 976 CA LEU A 63 1.428 0.481 -5.725 1.00 40.54 C ATOM 977 C LEU A 63 2.173 0.886 -4.437 1.00 54.52 C ATOM 978 O LEU A 63 2.320 2.069 -4.132 1.00 74.23 O ATOM 979 CB LEU A 63 2.447 0.201 -6.839 1.00 24.21 C ATOM 980 CG LEU A 63 1.853 -0.325 -8.162 1.00 64.14 C ATOM 981 CD1 LEU A 63 2.844 -0.154 -9.311 1.00 52.53 C ATOM 982 CD2 LEU A 63 1.451 -1.789 -8.022 1.00 24.22 C ATOM 0 H LEU A 63 0.942 2.243 -6.752 1.00 24.20 H new ATOM 0 HA LEU A 63 0.846 -0.415 -5.507 1.00 40.54 H new ATOM 0 HB2 LEU A 63 2.995 1.120 -7.046 1.00 24.21 H new ATOM 0 HB3 LEU A 63 3.171 -0.526 -6.471 1.00 24.21 H new ATOM 0 HG LEU A 63 0.963 0.261 -8.390 1.00 64.14 H new ATOM 0 HD11 LEU A 63 2.402 -0.532 -10.232 1.00 52.53 H new ATOM 0 HD12 LEU A 63 3.084 0.903 -9.431 1.00 52.53 H new ATOM 0 HD13 LEU A 63 3.755 -0.710 -9.091 1.00 52.53 H new ATOM 0 HD21 LEU A 63 1.034 -2.144 -8.965 1.00 24.22 H new ATOM 0 HD22 LEU A 63 2.328 -2.384 -7.766 1.00 24.22 H new ATOM 0 HD23 LEU A 63 0.704 -1.887 -7.235 1.00 24.22 H new ATOM 994 N PHE A 64 2.634 -0.108 -3.680 1.00 3.04 N ATOM 995 CA PHE A 64 3.479 0.139 -2.501 1.00 4.32 C ATOM 996 C PHE A 64 4.614 -0.903 -2.406 1.00 30.34 C ATOM 997 O PHE A 64 4.538 -1.869 -1.646 1.00 71.14 O ATOM 998 CB PHE A 64 2.634 0.185 -1.210 1.00 30.14 C ATOM 999 CG PHE A 64 1.609 -0.918 -1.081 1.00 33.15 C ATOM 1000 CD1 PHE A 64 0.386 -0.824 -1.734 1.00 74.12 C ATOM 1001 CD2 PHE A 64 1.859 -2.038 -0.298 1.00 34.33 C ATOM 1002 CE1 PHE A 64 -0.560 -1.822 -1.609 1.00 4.43 C ATOM 1003 CE2 PHE A 64 0.914 -3.037 -0.175 1.00 31.34 C ATOM 1004 CZ PHE A 64 -0.295 -2.929 -0.828 1.00 43.32 C ATOM 0 H PHE A 64 2.440 -1.093 -3.858 1.00 3.04 H new ATOM 0 HA PHE A 64 3.944 1.118 -2.617 1.00 4.32 H new ATOM 0 HB2 PHE A 64 3.305 0.140 -0.352 1.00 30.14 H new ATOM 0 HB3 PHE A 64 2.121 1.145 -1.163 1.00 30.14 H new ATOM 0 HD1 PHE A 64 0.173 0.040 -2.346 1.00 74.12 H new ATOM 0 HD2 PHE A 64 2.802 -2.128 0.220 1.00 34.33 H new ATOM 0 HE1 PHE A 64 -1.507 -1.737 -2.122 1.00 4.43 H new ATOM 0 HE2 PHE A 64 1.122 -3.904 0.434 1.00 31.34 H new ATOM 0 HZ PHE A 64 -1.034 -3.710 -0.729 1.00 43.32 H new ATOM 1014 N PRO A 65 5.698 -0.701 -3.189 1.00 5.11 N ATOM 1015 CA PRO A 65 6.799 -1.680 -3.315 1.00 13.31 C ATOM 1016 C PRO A 65 7.714 -1.753 -2.080 1.00 22.25 C ATOM 1017 O PRO A 65 8.544 -2.654 -1.966 1.00 31.41 O ATOM 1018 CB PRO A 65 7.581 -1.157 -4.529 1.00 64.31 C ATOM 1019 CG PRO A 65 7.353 0.318 -4.504 1.00 11.23 C ATOM 1020 CD PRO A 65 5.939 0.504 -4.016 1.00 42.13 C ATOM 0 HA PRO A 65 6.417 -2.696 -3.419 1.00 13.31 H new ATOM 0 HB2 PRO A 65 8.641 -1.397 -4.453 1.00 64.31 H new ATOM 0 HB3 PRO A 65 7.219 -1.600 -5.457 1.00 64.31 H new ATOM 0 HG2 PRO A 65 8.064 0.813 -3.842 1.00 11.23 H new ATOM 0 HG3 PRO A 65 7.485 0.751 -5.495 1.00 11.23 H new ATOM 0 HD2 PRO A 65 5.833 1.419 -3.433 1.00 42.13 H new ATOM 0 HD3 PRO A 65 5.234 0.570 -4.844 1.00 42.13 H new ATOM 1028 N SER A 66 7.570 -0.799 -1.164 1.00 41.53 N ATOM 1029 CA SER A 66 8.399 -0.762 0.052 1.00 25.23 C ATOM 1030 C SER A 66 8.092 -1.943 0.989 1.00 71.33 C ATOM 1031 O SER A 66 8.875 -2.244 1.888 1.00 41.32 O ATOM 1032 CB SER A 66 8.186 0.556 0.797 1.00 14.22 C ATOM 1033 OG SER A 66 8.389 1.672 -0.054 1.00 2.44 O ATOM 0 H SER A 66 6.891 -0.041 -1.234 1.00 41.53 H new ATOM 0 HA SER A 66 9.440 -0.842 -0.260 1.00 25.23 H new ATOM 0 HB2 SER A 66 7.175 0.586 1.204 1.00 14.22 H new ATOM 0 HB3 SER A 66 8.872 0.612 1.643 1.00 14.22 H new ATOM 0 HG SER A 66 8.244 2.499 0.451 1.00 2.44 H new ATOM 1039 N ASN A 67 6.933 -2.581 0.788 1.00 25.25 N ATOM 1040 CA ASN A 67 6.552 -3.795 1.540 1.00 62.44 C ATOM 1041 C ASN A 67 6.524 -3.577 3.070 1.00 34.50 C ATOM 1042 O ASN A 67 6.852 -4.477 3.844 1.00 52.13 O ATOM 1043 CB ASN A 67 7.497 -4.949 1.177 1.00 71.14 C ATOM 1044 CG ASN A 67 7.372 -5.347 -0.280 1.00 12.24 C ATOM 1045 OD1 ASN A 67 6.303 -5.242 -0.872 1.00 50.21 O ATOM 1046 ND2 ASN A 67 8.451 -5.807 -0.871 1.00 13.43 N ATOM 0 H ASN A 67 6.235 -2.279 0.108 1.00 25.25 H new ATOM 0 HA ASN A 67 5.532 -4.046 1.248 1.00 62.44 H new ATOM 0 HB2 ASN A 67 8.526 -4.655 1.386 1.00 71.14 H new ATOM 0 HB3 ASN A 67 7.277 -5.810 1.808 1.00 71.14 H new ATOM 0 HD21 ASN A 67 8.415 -6.089 -1.851 1.00 13.43 H new ATOM 0 HD22 ASN A 67 9.325 -5.882 -0.350 1.00 13.43 H new ATOM 1053 N PHE A 68 6.087 -2.391 3.493 1.00 73.03 N ATOM 1054 CA PHE A 68 5.939 -2.071 4.928 1.00 54.41 C ATOM 1055 C PHE A 68 4.557 -2.499 5.468 1.00 11.41 C ATOM 1056 O PHE A 68 4.034 -1.903 6.412 1.00 4.13 O ATOM 1057 CB PHE A 68 6.144 -0.561 5.146 1.00 65.11 C ATOM 1058 CG PHE A 68 5.335 0.299 4.204 1.00 62.32 C ATOM 1059 CD1 PHE A 68 3.956 0.379 4.321 1.00 11.24 C ATOM 1060 CD2 PHE A 68 5.955 1.017 3.194 1.00 34.03 C ATOM 1061 CE1 PHE A 68 3.218 1.152 3.451 1.00 31.33 C ATOM 1062 CE2 PHE A 68 5.219 1.795 2.322 1.00 31.23 C ATOM 1063 CZ PHE A 68 3.849 1.862 2.450 1.00 60.03 C ATOM 0 H PHE A 68 5.827 -1.629 2.867 1.00 73.03 H new ATOM 0 HA PHE A 68 6.697 -2.629 5.478 1.00 54.41 H new ATOM 0 HB2 PHE A 68 5.878 -0.311 6.173 1.00 65.11 H new ATOM 0 HB3 PHE A 68 7.201 -0.325 5.024 1.00 65.11 H new ATOM 0 HD1 PHE A 68 3.454 -0.171 5.103 1.00 11.24 H new ATOM 0 HD2 PHE A 68 7.029 0.968 3.087 1.00 34.03 H new ATOM 0 HE1 PHE A 68 2.144 1.202 3.553 1.00 31.33 H new ATOM 0 HE2 PHE A 68 5.717 2.350 1.541 1.00 31.23 H new ATOM 0 HZ PHE A 68 3.270 2.468 1.769 1.00 60.03 H new ATOM 1073 N VAL A 69 3.980 -3.542 4.877 1.00 64.41 N ATOM 1074 CA VAL A 69 2.645 -4.025 5.266 1.00 34.41 C ATOM 1075 C VAL A 69 2.674 -5.512 5.647 1.00 64.13 C ATOM 1076 O VAL A 69 3.581 -6.248 5.260 1.00 64.34 O ATOM 1077 CB VAL A 69 1.612 -3.824 4.127 1.00 1.35 C ATOM 1078 CG1 VAL A 69 1.456 -2.343 3.783 1.00 15.31 C ATOM 1079 CG2 VAL A 69 2.006 -4.631 2.890 1.00 61.54 C ATOM 0 H VAL A 69 4.413 -4.075 4.123 1.00 64.41 H new ATOM 0 HA VAL A 69 2.345 -3.435 6.132 1.00 34.41 H new ATOM 0 HB VAL A 69 0.647 -4.190 4.479 1.00 1.35 H new ATOM 0 HG11 VAL A 69 0.726 -2.231 2.981 1.00 15.31 H new ATOM 0 HG12 VAL A 69 1.115 -1.799 4.664 1.00 15.31 H new ATOM 0 HG13 VAL A 69 2.416 -1.942 3.458 1.00 15.31 H new ATOM 0 HG21 VAL A 69 1.268 -4.475 2.104 1.00 61.54 H new ATOM 0 HG22 VAL A 69 2.985 -4.304 2.539 1.00 61.54 H new ATOM 0 HG23 VAL A 69 2.047 -5.690 3.144 1.00 61.54 H new ATOM 1089 N THR A 70 1.667 -5.946 6.398 1.00 53.12 N ATOM 1090 CA THR A 70 1.530 -7.359 6.782 1.00 0.54 C ATOM 1091 C THR A 70 0.063 -7.803 6.746 1.00 44.44 C ATOM 1092 O THR A 70 -0.844 -6.973 6.698 1.00 14.34 O ATOM 1093 CB THR A 70 2.097 -7.635 8.197 1.00 71.33 C ATOM 1094 OG1 THR A 70 1.957 -9.030 8.517 1.00 3.14 O ATOM 1095 CG2 THR A 70 1.379 -6.792 9.250 1.00 70.51 C ATOM 0 H THR A 70 0.928 -5.342 6.757 1.00 53.12 H new ATOM 0 HA THR A 70 2.106 -7.930 6.054 1.00 0.54 H new ATOM 0 HB THR A 70 3.153 -7.363 8.199 1.00 71.33 H new ATOM 0 HG1 THR A 70 2.319 -9.198 9.412 1.00 3.14 H new ATOM 0 HG21 THR A 70 1.797 -7.006 10.234 1.00 70.51 H new ATOM 0 HG22 THR A 70 1.511 -5.734 9.021 1.00 70.51 H new ATOM 0 HG23 THR A 70 0.316 -7.034 9.247 1.00 70.51 H new ATOM 1103 N ALA A 71 -0.165 -9.109 6.767 1.00 0.25 N ATOM 1104 CA ALA A 71 -1.524 -9.658 6.747 1.00 15.54 C ATOM 1105 C ALA A 71 -1.818 -10.445 8.031 1.00 13.01 C ATOM 1106 O ALA A 71 -1.285 -11.538 8.235 1.00 13.14 O ATOM 1107 CB ALA A 71 -1.725 -10.540 5.518 1.00 73.12 C ATOM 0 H ALA A 71 0.572 -9.814 6.798 1.00 0.25 H new ATOM 0 HA ALA A 71 -2.226 -8.826 6.695 1.00 15.54 H new ATOM 0 HB1 ALA A 71 -2.739 -10.939 5.519 1.00 73.12 H new ATOM 0 HB2 ALA A 71 -1.569 -9.948 4.616 1.00 73.12 H new ATOM 0 HB3 ALA A 71 -1.011 -11.363 5.540 1.00 73.12 H new