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= -0.534 K(o=-0.53,f=-3.8!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.868 USER MOD Single : A 37 LYS NZ :NH3+ 139:sc= 0.337 (180deg=-1.98!) USER MOD Single : A 43 THR OG1 : rot -150:sc= -1.18 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.25 K(o=-1.2,f=-2.9!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -160:sc= 0.446 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.0267 X(o=-0.027,f=0.094) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.754 X(o=-0.75,f=-1.1) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.231 USER MOD ----------------------------------------------------------------- ATOM 273 N ARG A 18 -8.840 -8.905 -1.034 1.00 74.42 N ATOM 274 CA ARG A 18 -8.028 -9.103 0.174 1.00 13.54 C ATOM 275 C ARG A 18 -7.402 -7.789 0.690 1.00 11.42 C ATOM 276 O ARG A 18 -7.121 -6.869 -0.083 1.00 3.35 O ATOM 277 CB ARG A 18 -6.944 -10.151 -0.117 1.00 13.51 C ATOM 278 CG ARG A 18 -5.932 -9.722 -1.179 1.00 71.34 C ATOM 279 CD ARG A 18 -5.179 -10.908 -1.771 1.00 61.15 C ATOM 280 NE ARG A 18 -4.627 -11.788 -0.745 1.00 2.51 N ATOM 281 CZ ARG A 18 -3.776 -12.744 -0.986 1.00 0.43 C ATOM 282 NH1 ARG A 18 -3.277 -12.903 -2.168 1.00 42.20 N ATOM 283 NH2 ARG A 18 -3.390 -13.514 -0.027 1.00 4.12 N ATOM 0 HA ARG A 18 -8.683 -9.459 0.969 1.00 13.54 H new ATOM 0 HB2 ARG A 18 -6.412 -10.374 0.808 1.00 13.51 H new ATOM 0 HB3 ARG A 18 -7.424 -11.075 -0.440 1.00 13.51 H new ATOM 0 HG2 ARG A 18 -6.449 -9.188 -1.976 1.00 71.34 H new ATOM 0 HG3 ARG A 18 -5.219 -9.025 -0.738 1.00 71.34 H new ATOM 0 HD2 ARG A 18 -5.852 -11.479 -2.411 1.00 61.15 H new ATOM 0 HD3 ARG A 18 -4.371 -10.542 -2.404 1.00 61.15 H new ATOM 0 HE ARG A 18 -4.926 -11.645 0.220 1.00 2.51 H new ATOM 0 HH11 ARG A 18 -3.549 -12.276 -2.925 1.00 42.20 H new ATOM 0 HH12 ARG A 18 -2.611 -13.656 -2.344 1.00 42.20 H new ATOM 0 HH21 ARG A 18 -3.751 -13.373 0.917 1.00 4.12 H new ATOM 0 HH22 ARG A 18 -2.724 -14.264 -0.212 1.00 4.12 H new ATOM 297 N LYS A 19 -7.185 -7.711 2.005 1.00 75.21 N ATOM 298 CA LYS A 19 -6.655 -6.493 2.638 1.00 71.01 C ATOM 299 C LYS A 19 -5.419 -6.776 3.510 1.00 71.43 C ATOM 300 O LYS A 19 -5.252 -7.874 4.039 1.00 40.14 O ATOM 301 CB LYS A 19 -7.743 -5.830 3.490 1.00 13.11 C ATOM 302 CG LYS A 19 -8.932 -5.325 2.680 1.00 71.01 C ATOM 303 CD LYS A 19 -9.987 -4.673 3.568 1.00 24.45 C ATOM 304 CE LYS A 19 -11.100 -4.040 2.745 1.00 14.05 C ATOM 305 NZ LYS A 19 -12.164 -3.449 3.599 1.00 52.14 N ATOM 0 H LYS A 19 -7.367 -8.475 2.656 1.00 75.21 H new ATOM 0 HA LYS A 19 -6.346 -5.822 1.836 1.00 71.01 H new ATOM 0 HB2 LYS A 19 -8.098 -6.545 4.232 1.00 13.11 H new ATOM 0 HB3 LYS A 19 -7.306 -4.994 4.036 1.00 13.11 H new ATOM 0 HG2 LYS A 19 -8.587 -4.605 1.938 1.00 71.01 H new ATOM 0 HG3 LYS A 19 -9.379 -6.156 2.134 1.00 71.01 H new ATOM 0 HD2 LYS A 19 -10.410 -5.420 4.239 1.00 24.45 H new ATOM 0 HD3 LYS A 19 -9.518 -3.913 4.192 1.00 24.45 H new ATOM 0 HE2 LYS A 19 -10.680 -3.266 2.103 1.00 14.05 H new ATOM 0 HE3 LYS A 19 -11.539 -4.793 2.090 1.00 14.05 H new ATOM 0 HZ1 LYS A 19 -12.900 -3.030 2.996 1.00 52.14 H new ATOM 0 HZ2 LYS A 19 -12.585 -4.192 4.193 1.00 52.14 H new ATOM 0 HZ3 LYS A 19 -11.752 -2.712 4.206 1.00 52.14 H new ATOM 319 N VAL A 20 -4.565 -5.765 3.654 1.00 31.45 N ATOM 320 CA VAL A 20 -3.351 -5.860 4.479 1.00 20.53 C ATOM 321 C VAL A 20 -3.158 -4.588 5.324 1.00 43.01 C ATOM 322 O VAL A 20 -3.515 -3.493 4.898 1.00 34.31 O ATOM 323 CB VAL A 20 -2.090 -6.089 3.605 1.00 23.14 C ATOM 324 CG1 VAL A 20 -2.118 -7.467 2.946 1.00 75.33 C ATOM 325 CG2 VAL A 20 -1.954 -4.992 2.547 1.00 43.35 C ATOM 0 H VAL A 20 -4.690 -4.857 3.206 1.00 31.45 H new ATOM 0 HA VAL A 20 -3.481 -6.716 5.141 1.00 20.53 H new ATOM 0 HB VAL A 20 -1.220 -6.045 4.260 1.00 23.14 H new ATOM 0 HG11 VAL A 20 -1.222 -7.599 2.340 1.00 75.33 H new ATOM 0 HG12 VAL A 20 -2.152 -8.238 3.716 1.00 75.33 H new ATOM 0 HG13 VAL A 20 -3.000 -7.549 2.311 1.00 75.33 H new ATOM 0 HG21 VAL A 20 -1.063 -5.174 1.947 1.00 43.35 H new ATOM 0 HG22 VAL A 20 -2.833 -4.997 1.902 1.00 43.35 H new ATOM 0 HG23 VAL A 20 -1.869 -4.022 3.037 1.00 43.35 H new ATOM 335 N ARG A 21 -2.596 -4.731 6.521 1.00 42.34 N ATOM 336 CA ARG A 21 -2.363 -3.583 7.414 1.00 75.11 C ATOM 337 C ARG A 21 -0.949 -3.006 7.244 1.00 64.14 C ATOM 338 O ARG A 21 0.035 -3.745 7.234 1.00 2.43 O ATOM 339 CB ARG A 21 -2.569 -3.999 8.877 1.00 61.10 C ATOM 340 CG ARG A 21 -2.246 -2.897 9.887 1.00 32.01 C ATOM 341 CD ARG A 21 -2.359 -3.394 11.324 1.00 22.41 C ATOM 342 NE ARG A 21 -1.874 -2.408 12.289 1.00 51.23 N ATOM 343 CZ ARG A 21 -1.508 -2.702 13.509 1.00 0.51 C ATOM 344 NH1 ARG A 21 -1.531 -3.926 13.922 1.00 10.41 N ATOM 345 NH2 ARG A 21 -1.093 -1.776 14.307 1.00 42.04 N ATOM 0 H ARG A 21 -2.291 -5.627 6.901 1.00 42.34 H new ATOM 0 HA ARG A 21 -3.082 -2.810 7.143 1.00 75.11 H new ATOM 0 HB2 ARG A 21 -3.605 -4.311 9.013 1.00 61.10 H new ATOM 0 HB3 ARG A 21 -1.944 -4.867 9.089 1.00 61.10 H new ATOM 0 HG2 ARG A 21 -1.237 -2.526 9.709 1.00 32.01 H new ATOM 0 HG3 ARG A 21 -2.925 -2.058 9.738 1.00 32.01 H new ATOM 0 HD2 ARG A 21 -3.400 -3.633 11.543 1.00 22.41 H new ATOM 0 HD3 ARG A 21 -1.790 -4.317 11.433 1.00 22.41 H new ATOM 0 HE ARG A 21 -1.818 -1.434 11.993 1.00 51.23 H new ATOM 0 HH11 ARG A 21 -1.836 -4.670 13.295 1.00 10.41 H new ATOM 0 HH12 ARG A 21 -1.244 -4.148 14.875 1.00 10.41 H new ATOM 0 HH21 ARG A 21 -1.049 -0.809 13.987 1.00 42.04 H new ATOM 0 HH22 ARG A 21 -0.809 -2.012 15.258 1.00 42.04 H new ATOM 359 N ALA A 22 -0.848 -1.682 7.129 1.00 5.05 N ATOM 360 CA ALA A 22 0.456 -1.016 7.038 1.00 74.33 C ATOM 361 C ALA A 22 1.118 -0.900 8.419 1.00 61.03 C ATOM 362 O ALA A 22 0.552 -0.306 9.336 1.00 51.14 O ATOM 363 CB ALA A 22 0.298 0.363 6.408 1.00 12.41 C ATOM 0 H ALA A 22 -1.648 -1.050 7.097 1.00 5.05 H new ATOM 0 HA ALA A 22 1.104 -1.623 6.406 1.00 74.33 H new ATOM 0 HB1 ALA A 22 1.272 0.848 6.345 1.00 12.41 H new ATOM 0 HB2 ALA A 22 -0.121 0.260 5.407 1.00 12.41 H new ATOM 0 HB3 ALA A 22 -0.370 0.968 7.020 1.00 12.41 H new ATOM 369 N ILE A 23 2.312 -1.472 8.568 1.00 45.42 N ATOM 370 CA ILE A 23 3.046 -1.390 9.838 1.00 52.32 C ATOM 371 C ILE A 23 3.982 -0.171 9.876 1.00 54.13 C ATOM 372 O ILE A 23 4.339 0.314 10.952 1.00 43.54 O ATOM 373 CB ILE A 23 3.857 -2.685 10.122 1.00 45.35 C ATOM 374 CG1 ILE A 23 4.869 -2.959 8.999 1.00 50.43 C ATOM 375 CG2 ILE A 23 2.913 -3.876 10.307 1.00 13.25 C ATOM 376 CD1 ILE A 23 5.706 -4.202 9.214 1.00 64.04 C ATOM 0 H ILE A 23 2.792 -1.994 7.834 1.00 45.42 H new ATOM 0 HA ILE A 23 2.295 -1.276 10.620 1.00 52.32 H new ATOM 0 HB ILE A 23 4.416 -2.542 11.046 1.00 45.35 H new ATOM 0 HG12 ILE A 23 4.332 -3.054 8.055 1.00 50.43 H new ATOM 0 HG13 ILE A 23 5.532 -2.099 8.904 1.00 50.43 H new ATOM 0 HG21 ILE A 23 3.496 -4.775 10.505 1.00 13.25 H new ATOM 0 HG22 ILE A 23 2.245 -3.684 11.147 1.00 13.25 H new ATOM 0 HG23 ILE A 23 2.324 -4.018 9.401 1.00 13.25 H new ATOM 0 HD11 ILE A 23 6.395 -4.326 8.379 1.00 64.04 H new ATOM 0 HD12 ILE A 23 6.272 -4.104 10.140 1.00 64.04 H new ATOM 0 HD13 ILE A 23 5.054 -5.073 9.278 1.00 64.04 H new ATOM 388 N TYR A 24 4.370 0.329 8.703 1.00 72.31 N ATOM 389 CA TYR A 24 5.229 1.519 8.613 1.00 23.43 C ATOM 390 C TYR A 24 4.516 2.672 7.891 1.00 54.01 C ATOM 391 O TYR A 24 3.561 2.463 7.144 1.00 31.52 O ATOM 392 CB TYR A 24 6.554 1.178 7.916 1.00 50.24 C ATOM 393 CG TYR A 24 7.380 0.145 8.665 1.00 11.44 C ATOM 394 CD1 TYR A 24 7.597 0.265 10.034 1.00 13.53 C ATOM 395 CD2 TYR A 24 7.928 -0.952 8.010 1.00 13.44 C ATOM 396 CE1 TYR A 24 8.337 -0.674 10.724 1.00 41.31 C ATOM 397 CE2 TYR A 24 8.668 -1.897 8.696 1.00 22.40 C ATOM 398 CZ TYR A 24 8.869 -1.753 10.054 1.00 60.00 C ATOM 399 OH TYR A 24 9.601 -2.694 10.743 1.00 52.22 O ATOM 0 H TYR A 24 4.106 -0.068 7.801 1.00 72.31 H new ATOM 0 HA TYR A 24 5.447 1.849 9.629 1.00 23.43 H new ATOM 0 HB2 TYR A 24 6.344 0.807 6.913 1.00 50.24 H new ATOM 0 HB3 TYR A 24 7.141 2.089 7.802 1.00 50.24 H new ATOM 0 HD1 TYR A 24 7.179 1.107 10.566 1.00 13.53 H new ATOM 0 HD2 TYR A 24 7.773 -1.068 6.947 1.00 13.44 H new ATOM 0 HE1 TYR A 24 8.498 -0.563 11.786 1.00 41.31 H new ATOM 0 HE2 TYR A 24 9.087 -2.744 8.172 1.00 22.40 H new ATOM 0 HH TYR A 24 9.904 -3.391 10.124 1.00 52.22 H new ATOM 409 N ASP A 25 4.993 3.891 8.126 1.00 35.33 N ATOM 410 CA ASP A 25 4.328 5.106 7.639 1.00 11.35 C ATOM 411 C ASP A 25 4.983 5.635 6.344 1.00 0.15 C ATOM 412 O ASP A 25 6.188 5.911 6.314 1.00 24.52 O ATOM 413 CB ASP A 25 4.401 6.163 8.744 1.00 54.12 C ATOM 414 CG ASP A 25 3.439 7.311 8.535 1.00 22.43 C ATOM 415 OD1 ASP A 25 3.814 8.317 7.892 1.00 71.04 O ATOM 416 OD2 ASP A 25 2.303 7.223 9.032 1.00 45.24 O ATOM 0 H ASP A 25 5.846 4.069 8.656 1.00 35.33 H new ATOM 0 HA ASP A 25 3.290 4.876 7.398 1.00 11.35 H new ATOM 0 HB2 ASP A 25 4.190 5.691 9.704 1.00 54.12 H new ATOM 0 HB3 ASP A 25 5.417 6.554 8.797 1.00 54.12 H new ATOM 421 N PHE A 26 4.195 5.795 5.280 1.00 71.12 N ATOM 422 CA PHE A 26 4.737 6.239 3.987 1.00 31.22 C ATOM 423 C PHE A 26 3.759 7.137 3.210 1.00 25.20 C ATOM 424 O PHE A 26 2.538 6.962 3.265 1.00 72.24 O ATOM 425 CB PHE A 26 5.132 5.025 3.136 1.00 13.02 C ATOM 426 CG PHE A 26 5.643 5.377 1.760 1.00 42.31 C ATOM 427 CD1 PHE A 26 6.949 5.809 1.574 1.00 23.14 C ATOM 428 CD2 PHE A 26 4.811 5.282 0.655 1.00 31.32 C ATOM 429 CE1 PHE A 26 7.411 6.134 0.315 1.00 41.51 C ATOM 430 CE2 PHE A 26 5.268 5.608 -0.608 1.00 22.31 C ATOM 431 CZ PHE A 26 6.571 6.035 -0.778 1.00 25.13 C ATOM 0 H PHE A 26 3.189 5.627 5.283 1.00 71.12 H new ATOM 0 HA PHE A 26 5.620 6.841 4.200 1.00 31.22 H new ATOM 0 HB2 PHE A 26 5.900 4.460 3.663 1.00 13.02 H new ATOM 0 HB3 PHE A 26 4.267 4.369 3.034 1.00 13.02 H new ATOM 0 HD1 PHE A 26 7.611 5.892 2.424 1.00 23.14 H new ATOM 0 HD2 PHE A 26 3.792 4.949 0.783 1.00 31.32 H new ATOM 0 HE1 PHE A 26 8.430 6.466 0.184 1.00 41.51 H new ATOM 0 HE2 PHE A 26 4.608 5.529 -1.460 1.00 22.31 H new ATOM 0 HZ PHE A 26 6.932 6.291 -1.763 1.00 25.13 H new ATOM 441 N GLU A 27 4.323 8.095 2.479 1.00 30.44 N ATOM 442 CA GLU A 27 3.547 9.007 1.634 1.00 44.51 C ATOM 443 C GLU A 27 4.088 8.981 0.190 1.00 12.30 C ATOM 444 O GLU A 27 5.298 9.086 -0.025 1.00 73.25 O ATOM 445 CB GLU A 27 3.605 10.421 2.221 1.00 24.53 C ATOM 446 CG GLU A 27 2.808 11.460 1.449 1.00 71.13 C ATOM 447 CD GLU A 27 2.807 12.809 2.148 1.00 21.13 C ATOM 448 OE1 GLU A 27 3.834 13.514 2.079 1.00 44.13 O ATOM 449 OE2 GLU A 27 1.798 13.154 2.794 1.00 51.20 O ATOM 0 H GLU A 27 5.329 8.263 2.454 1.00 30.44 H new ATOM 0 HA GLU A 27 2.506 8.685 1.607 1.00 44.51 H new ATOM 0 HB2 GLU A 27 3.238 10.390 3.247 1.00 24.53 H new ATOM 0 HB3 GLU A 27 4.646 10.740 2.264 1.00 24.53 H new ATOM 0 HG2 GLU A 27 3.228 11.570 0.449 1.00 71.13 H new ATOM 0 HG3 GLU A 27 1.782 11.113 1.328 1.00 71.13 H new ATOM 456 N ALA A 28 3.185 8.856 -0.787 1.00 30.53 N ATOM 457 CA ALA A 28 3.556 8.630 -2.197 1.00 32.51 C ATOM 458 C ALA A 28 4.621 9.610 -2.721 1.00 45.52 C ATOM 459 O ALA A 28 4.352 10.799 -2.919 1.00 54.42 O ATOM 460 CB ALA A 28 2.314 8.699 -3.078 1.00 74.44 C ATOM 0 H ALA A 28 2.179 8.908 -0.629 1.00 30.53 H new ATOM 0 HA ALA A 28 4.001 7.636 -2.241 1.00 32.51 H new ATOM 0 HB1 ALA A 28 2.596 8.531 -4.118 1.00 74.44 H new ATOM 0 HB2 ALA A 28 1.604 7.933 -2.766 1.00 74.44 H new ATOM 0 HB3 ALA A 28 1.853 9.682 -2.981 1.00 74.44 H new ATOM 466 N ALA A 29 5.826 9.096 -2.960 1.00 22.10 N ATOM 467 CA ALA A 29 6.905 9.891 -3.547 1.00 62.44 C ATOM 468 C ALA A 29 6.725 10.000 -5.067 1.00 43.43 C ATOM 469 O ALA A 29 6.816 11.085 -5.643 1.00 2.41 O ATOM 470 CB ALA A 29 8.257 9.277 -3.205 1.00 2.30 C ATOM 0 H ALA A 29 6.081 8.130 -2.756 1.00 22.10 H new ATOM 0 HA ALA A 29 6.868 10.896 -3.128 1.00 62.44 H new ATOM 0 HB1 ALA A 29 9.052 9.878 -3.647 1.00 2.30 H new ATOM 0 HB2 ALA A 29 8.382 9.251 -2.122 1.00 2.30 H new ATOM 0 HB3 ALA A 29 8.306 8.262 -3.600 1.00 2.30 H new ATOM 476 N GLU A 30 6.459 8.863 -5.709 1.00 2.43 N ATOM 477 CA GLU A 30 6.147 8.826 -7.141 1.00 11.32 C ATOM 478 C GLU A 30 4.632 8.870 -7.381 1.00 75.13 C ATOM 479 O GLU A 30 3.840 8.451 -6.533 1.00 12.52 O ATOM 480 CB GLU A 30 6.733 7.566 -7.799 1.00 61.23 C ATOM 481 CG GLU A 30 8.252 7.579 -7.920 1.00 2.12 C ATOM 482 CD GLU A 30 8.782 6.335 -8.612 1.00 32.43 C ATOM 483 OE1 GLU A 30 8.661 6.245 -9.851 1.00 4.32 O ATOM 484 OE2 GLU A 30 9.297 5.429 -7.918 1.00 42.44 O ATOM 0 H GLU A 30 6.453 7.948 -5.258 1.00 2.43 H new ATOM 0 HA GLU A 30 6.600 9.708 -7.593 1.00 11.32 H new ATOM 0 HB2 GLU A 30 6.432 6.693 -7.220 1.00 61.23 H new ATOM 0 HB3 GLU A 30 6.301 7.453 -8.793 1.00 61.23 H new ATOM 0 HG2 GLU A 30 8.563 8.463 -8.477 1.00 2.12 H new ATOM 0 HG3 GLU A 30 8.694 7.656 -6.926 1.00 2.12 H new ATOM 491 N ASP A 31 4.242 9.353 -8.556 1.00 71.33 N ATOM 492 CA ASP A 31 2.828 9.512 -8.915 1.00 64.40 C ATOM 493 C ASP A 31 2.068 8.173 -8.874 1.00 71.42 C ATOM 494 O ASP A 31 0.869 8.135 -8.592 1.00 64.21 O ATOM 495 CB ASP A 31 2.726 10.133 -10.313 1.00 61.23 C ATOM 496 CG ASP A 31 3.594 11.370 -10.447 1.00 23.23 C ATOM 497 OD1 ASP A 31 3.142 12.466 -10.064 1.00 72.24 O ATOM 498 OD2 ASP A 31 4.745 11.246 -10.921 1.00 14.44 O ATOM 0 H ASP A 31 4.890 9.646 -9.287 1.00 71.33 H new ATOM 0 HA ASP A 31 2.365 10.170 -8.179 1.00 64.40 H new ATOM 0 HB2 ASP A 31 3.025 9.397 -11.060 1.00 61.23 H new ATOM 0 HB3 ASP A 31 1.688 10.394 -10.520 1.00 61.23 H new ATOM 503 N ASN A 32 2.775 7.077 -9.147 1.00 30.33 N ATOM 504 CA ASN A 32 2.162 5.741 -9.192 1.00 10.04 C ATOM 505 C ASN A 32 2.048 5.100 -7.800 1.00 13.22 C ATOM 506 O ASN A 32 1.339 4.107 -7.627 1.00 74.33 O ATOM 507 CB ASN A 32 2.969 4.826 -10.119 1.00 74.44 C ATOM 508 CG ASN A 32 3.049 5.361 -11.538 1.00 74.41 C ATOM 509 OD1 ASN A 32 3.003 6.565 -11.766 1.00 45.12 O ATOM 510 ND2 ASN A 32 3.176 4.474 -12.501 1.00 12.02 N ATOM 0 H ASN A 32 3.776 7.084 -9.342 1.00 30.33 H new ATOM 0 HA ASN A 32 1.150 5.864 -9.578 1.00 10.04 H new ATOM 0 HB2 ASN A 32 3.977 4.709 -9.721 1.00 74.44 H new ATOM 0 HB3 ASN A 32 2.514 3.835 -10.133 1.00 74.44 H new ATOM 0 HD21 ASN A 32 3.239 4.781 -13.472 1.00 12.02 H new ATOM 0 HD22 ASN A 32 3.211 3.480 -12.277 1.00 12.02 H new ATOM 517 N GLU A 33 2.737 5.665 -6.809 1.00 1.02 N ATOM 518 CA GLU A 33 2.734 5.101 -5.450 1.00 25.43 C ATOM 519 C GLU A 33 1.503 5.557 -4.647 1.00 32.01 C ATOM 520 O GLU A 33 0.839 6.531 -5.006 1.00 21.04 O ATOM 521 CB GLU A 33 4.026 5.476 -4.707 1.00 73.03 C ATOM 522 CG GLU A 33 5.291 4.954 -5.385 1.00 4.04 C ATOM 523 CD GLU A 33 6.553 5.214 -4.576 1.00 3.53 C ATOM 524 OE1 GLU A 33 6.855 6.392 -4.293 1.00 15.13 O ATOM 525 OE2 GLU A 33 7.268 4.244 -4.243 1.00 54.11 O ATOM 0 H GLU A 33 3.302 6.507 -6.915 1.00 1.02 H new ATOM 0 HA GLU A 33 2.684 4.016 -5.546 1.00 25.43 H new ATOM 0 HB2 GLU A 33 4.088 6.561 -4.626 1.00 73.03 H new ATOM 0 HB3 GLU A 33 3.979 5.083 -3.691 1.00 73.03 H new ATOM 0 HG2 GLU A 33 5.189 3.882 -5.554 1.00 4.04 H new ATOM 0 HG3 GLU A 33 5.391 5.423 -6.364 1.00 4.04 H new ATOM 532 N LEU A 34 1.207 4.846 -3.559 1.00 41.01 N ATOM 533 CA LEU A 34 0.009 5.115 -2.750 1.00 53.11 C ATOM 534 C LEU A 34 0.376 5.762 -1.399 1.00 74.02 C ATOM 535 O LEU A 34 1.289 5.312 -0.707 1.00 64.34 O ATOM 536 CB LEU A 34 -0.759 3.796 -2.510 1.00 41.35 C ATOM 537 CG LEU A 34 -2.300 3.895 -2.471 1.00 22.41 C ATOM 538 CD1 LEU A 34 -2.916 2.529 -2.187 1.00 65.13 C ATOM 539 CD2 LEU A 34 -2.778 4.922 -1.445 1.00 43.11 C ATOM 0 H LEU A 34 1.780 4.076 -3.213 1.00 41.01 H new ATOM 0 HA LEU A 34 -0.622 5.816 -3.296 1.00 53.11 H new ATOM 0 HB2 LEU A 34 -0.482 3.092 -3.294 1.00 41.35 H new ATOM 0 HB3 LEU A 34 -0.420 3.371 -1.565 1.00 41.35 H new ATOM 0 HG LEU A 34 -2.631 4.234 -3.452 1.00 22.41 H new ATOM 0 HD11 LEU A 34 -4.002 2.618 -2.163 1.00 65.13 H new ATOM 0 HD12 LEU A 34 -2.626 1.829 -2.971 1.00 65.13 H new ATOM 0 HD13 LEU A 34 -2.561 2.163 -1.224 1.00 65.13 H new ATOM 0 HD21 LEU A 34 -3.867 4.961 -1.449 1.00 43.11 H new ATOM 0 HD22 LEU A 34 -2.429 4.635 -0.453 1.00 43.11 H new ATOM 0 HD23 LEU A 34 -2.379 5.904 -1.700 1.00 43.11 H new ATOM 551 N THR A 35 -0.350 6.818 -1.031 1.00 54.14 N ATOM 552 CA THR A 35 -0.176 7.478 0.272 1.00 61.34 C ATOM 553 C THR A 35 -1.112 6.885 1.336 1.00 30.13 C ATOM 554 O THR A 35 -2.333 6.891 1.170 1.00 42.02 O ATOM 555 CB THR A 35 -0.456 8.999 0.185 1.00 40.52 C ATOM 556 OG1 THR A 35 0.482 9.626 -0.704 1.00 22.34 O ATOM 557 CG2 THR A 35 -0.377 9.660 1.559 1.00 4.32 C ATOM 0 H THR A 35 -1.070 7.240 -1.618 1.00 54.14 H new ATOM 0 HA THR A 35 0.863 7.310 0.557 1.00 61.34 H new ATOM 0 HB THR A 35 -1.468 9.127 -0.200 1.00 40.52 H new ATOM 0 HG1 THR A 35 0.295 10.587 -0.753 1.00 22.34 H new ATOM 0 HG21 THR A 35 -0.579 10.727 1.462 1.00 4.32 H new ATOM 0 HG22 THR A 35 -1.116 9.210 2.222 1.00 4.32 H new ATOM 0 HG23 THR A 35 0.620 9.516 1.975 1.00 4.32 H new ATOM 565 N PHE A 36 -0.535 6.376 2.423 1.00 3.11 N ATOM 566 CA PHE A 36 -1.312 5.889 3.569 1.00 31.32 C ATOM 567 C PHE A 36 -0.431 5.778 4.823 1.00 32.33 C ATOM 568 O PHE A 36 0.733 5.380 4.755 1.00 21.32 O ATOM 569 CB PHE A 36 -1.993 4.547 3.251 1.00 60.54 C ATOM 570 CG PHE A 36 -1.074 3.475 2.711 1.00 75.41 C ATOM 571 CD1 PHE A 36 -0.770 3.420 1.358 1.00 64.44 C ATOM 572 CD2 PHE A 36 -0.530 2.519 3.551 1.00 64.14 C ATOM 573 CE1 PHE A 36 0.058 2.435 0.858 1.00 30.02 C ATOM 574 CE2 PHE A 36 0.295 1.531 3.053 1.00 21.31 C ATOM 575 CZ PHE A 36 0.589 1.489 1.707 1.00 61.44 C ATOM 0 H PHE A 36 0.475 6.288 2.537 1.00 3.11 H new ATOM 0 HA PHE A 36 -2.097 6.618 3.773 1.00 31.32 H new ATOM 0 HB2 PHE A 36 -2.468 4.174 4.159 1.00 60.54 H new ATOM 0 HB3 PHE A 36 -2.787 4.723 2.525 1.00 60.54 H new ATOM 0 HD1 PHE A 36 -1.187 4.157 0.688 1.00 64.44 H new ATOM 0 HD2 PHE A 36 -0.753 2.546 4.607 1.00 64.14 H new ATOM 0 HE1 PHE A 36 0.289 2.406 -0.197 1.00 30.02 H new ATOM 0 HE2 PHE A 36 0.711 0.790 3.719 1.00 21.31 H new ATOM 0 HZ PHE A 36 1.235 0.715 1.318 1.00 61.44 H new ATOM 585 N LYS A 37 -0.997 6.146 5.970 1.00 2.31 N ATOM 586 CA LYS A 37 -0.240 6.234 7.220 1.00 64.22 C ATOM 587 C LYS A 37 -0.183 4.878 7.948 1.00 60.02 C ATOM 588 O LYS A 37 -0.953 3.961 7.648 1.00 53.54 O ATOM 589 CB LYS A 37 -0.873 7.300 8.132 1.00 72.24 C ATOM 590 CG LYS A 37 -1.206 8.613 7.417 1.00 23.02 C ATOM 591 CD LYS A 37 0.035 9.349 6.895 1.00 55.24 C ATOM 592 CE LYS A 37 0.634 10.295 7.936 1.00 24.44 C ATOM 593 NZ LYS A 37 1.196 9.572 9.104 1.00 11.13 N ATOM 0 H LYS A 37 -1.983 6.390 6.061 1.00 2.31 H new ATOM 0 HA LYS A 37 0.784 6.519 6.977 1.00 64.22 H new ATOM 0 HB2 LYS A 37 -1.786 6.894 8.569 1.00 72.24 H new ATOM 0 HB3 LYS A 37 -0.191 7.510 8.956 1.00 72.24 H new ATOM 0 HG2 LYS A 37 -1.875 8.405 6.582 1.00 23.02 H new ATOM 0 HG3 LYS A 37 -1.746 9.266 8.103 1.00 23.02 H new ATOM 0 HD2 LYS A 37 0.787 8.619 6.596 1.00 55.24 H new ATOM 0 HD3 LYS A 37 -0.231 9.916 6.003 1.00 55.24 H new ATOM 0 HE2 LYS A 37 1.418 10.892 7.471 1.00 24.44 H new ATOM 0 HE3 LYS A 37 -0.135 10.988 8.277 1.00 24.44 H new ATOM 0 HZ1 LYS A 37 2.095 10.013 9.385 1.00 11.13 H new ATOM 0 HZ2 LYS A 37 0.525 9.618 9.897 1.00 11.13 H new ATOM 0 HZ3 LYS A 37 1.363 8.578 8.849 1.00 11.13 H new ATOM 607 N ALA A 38 0.726 4.765 8.916 1.00 12.14 N ATOM 608 CA ALA A 38 0.904 3.523 9.680 1.00 51.30 C ATOM 609 C ALA A 38 -0.349 3.168 10.494 1.00 70.40 C ATOM 610 O ALA A 38 -0.913 4.011 11.193 1.00 43.43 O ATOM 611 CB ALA A 38 2.117 3.643 10.599 1.00 72.23 C ATOM 0 H ALA A 38 1.354 5.519 9.193 1.00 12.14 H new ATOM 0 HA ALA A 38 1.070 2.716 8.967 1.00 51.30 H new ATOM 0 HB1 ALA A 38 2.241 2.717 11.161 1.00 72.23 H new ATOM 0 HB2 ALA A 38 3.010 3.826 10.001 1.00 72.23 H new ATOM 0 HB3 ALA A 38 1.968 4.471 11.292 1.00 72.23 H new ATOM 617 N GLY A 39 -0.781 1.915 10.393 1.00 54.22 N ATOM 618 CA GLY A 39 -1.962 1.461 11.121 1.00 14.34 C ATOM 619 C GLY A 39 -3.193 1.286 10.235 1.00 14.24 C ATOM 620 O GLY A 39 -4.140 0.592 10.617 1.00 3.10 O ATOM 0 H GLY A 39 -0.335 1.200 9.819 1.00 54.22 H new ATOM 0 HA2 GLY A 39 -1.737 0.512 11.608 1.00 14.34 H new ATOM 0 HA3 GLY A 39 -2.191 2.178 11.910 1.00 14.34 H new ATOM 624 N GLU A 40 -3.186 1.905 9.055 1.00 13.42 N ATOM 625 CA GLU A 40 -4.335 1.842 8.142 1.00 34.32 C ATOM 626 C GLU A 40 -4.443 0.482 7.427 1.00 61.14 C ATOM 627 O GLU A 40 -3.486 -0.296 7.376 1.00 34.30 O ATOM 628 CB GLU A 40 -4.263 2.973 7.105 1.00 10.55 C ATOM 629 CG GLU A 40 -4.346 4.373 7.711 1.00 70.53 C ATOM 630 CD GLU A 40 -4.583 5.458 6.668 1.00 0.22 C ATOM 631 OE1 GLU A 40 -5.586 5.361 5.931 1.00 24.12 O ATOM 632 OE2 GLU A 40 -3.797 6.427 6.598 1.00 15.22 O ATOM 0 H GLU A 40 -2.401 2.455 8.706 1.00 13.42 H new ATOM 0 HA GLU A 40 -5.230 1.964 8.752 1.00 34.32 H new ATOM 0 HB2 GLU A 40 -3.330 2.883 6.548 1.00 10.55 H new ATOM 0 HB3 GLU A 40 -5.075 2.849 6.389 1.00 10.55 H new ATOM 0 HG2 GLU A 40 -5.152 4.399 8.444 1.00 70.53 H new ATOM 0 HG3 GLU A 40 -3.421 4.587 8.247 1.00 70.53 H new ATOM 639 N ILE A 41 -5.628 0.212 6.872 1.00 64.21 N ATOM 640 CA ILE A 41 -5.900 -1.042 6.156 1.00 40.44 C ATOM 641 C ILE A 41 -6.003 -0.805 4.636 1.00 31.13 C ATOM 642 O ILE A 41 -6.818 -0.006 4.173 1.00 5.33 O ATOM 643 CB ILE A 41 -7.213 -1.697 6.659 1.00 43.13 C ATOM 644 CG1 ILE A 41 -7.166 -1.915 8.184 1.00 62.52 C ATOM 645 CG2 ILE A 41 -7.471 -3.019 5.933 1.00 71.11 C ATOM 646 CD1 ILE A 41 -6.042 -2.822 8.646 1.00 62.25 C ATOM 0 H ILE A 41 -6.423 0.851 6.905 1.00 64.21 H new ATOM 0 HA ILE A 41 -5.065 -1.713 6.356 1.00 40.44 H new ATOM 0 HB ILE A 41 -8.037 -1.019 6.437 1.00 43.13 H new ATOM 0 HG12 ILE A 41 -7.063 -0.948 8.675 1.00 62.52 H new ATOM 0 HG13 ILE A 41 -8.117 -2.338 8.509 1.00 62.52 H new ATOM 0 HG21 ILE A 41 -8.397 -3.462 6.301 1.00 71.11 H new ATOM 0 HG22 ILE A 41 -7.557 -2.835 4.862 1.00 71.11 H new ATOM 0 HG23 ILE A 41 -6.643 -3.703 6.118 1.00 71.11 H new ATOM 0 HD11 ILE A 41 -6.079 -2.924 9.731 1.00 62.25 H new ATOM 0 HD12 ILE A 41 -6.154 -3.804 8.185 1.00 62.25 H new ATOM 0 HD13 ILE A 41 -5.084 -2.392 8.354 1.00 62.25 H new ATOM 658 N ILE A 42 -5.177 -1.516 3.870 1.00 74.30 N ATOM 659 CA ILE A 42 -5.109 -1.339 2.414 1.00 54.23 C ATOM 660 C ILE A 42 -5.665 -2.562 1.669 1.00 62.40 C ATOM 661 O ILE A 42 -5.199 -3.684 1.868 1.00 41.54 O ATOM 662 CB ILE A 42 -3.646 -1.107 1.930 1.00 34.22 C ATOM 663 CG1 ILE A 42 -2.960 0.034 2.710 1.00 73.24 C ATOM 664 CG2 ILE A 42 -3.614 -0.820 0.427 1.00 32.41 C ATOM 665 CD1 ILE A 42 -2.522 -0.340 4.114 1.00 71.54 C ATOM 0 H ILE A 42 -4.540 -2.225 4.233 1.00 74.30 H new ATOM 0 HA ILE A 42 -5.715 -0.461 2.190 1.00 54.23 H new ATOM 0 HB ILE A 42 -3.089 -2.023 2.125 1.00 34.22 H new ATOM 0 HG12 ILE A 42 -2.088 0.369 2.148 1.00 73.24 H new ATOM 0 HG13 ILE A 42 -3.645 0.880 2.770 1.00 73.24 H new ATOM 0 HG21 ILE A 42 -2.584 -0.661 0.109 1.00 32.41 H new ATOM 0 HG22 ILE A 42 -4.034 -1.668 -0.114 1.00 32.41 H new ATOM 0 HG23 ILE A 42 -4.201 0.073 0.215 1.00 32.41 H new ATOM 0 HD11 ILE A 42 -2.050 0.520 4.589 1.00 71.54 H new ATOM 0 HD12 ILE A 42 -3.391 -0.645 4.697 1.00 71.54 H new ATOM 0 HD13 ILE A 42 -1.810 -1.164 4.066 1.00 71.54 H new ATOM 677 N THR A 43 -6.653 -2.347 0.805 1.00 65.44 N ATOM 678 CA THR A 43 -7.168 -3.427 -0.044 1.00 11.50 C ATOM 679 C THR A 43 -6.182 -3.709 -1.181 1.00 21.41 C ATOM 680 O THR A 43 -6.079 -2.925 -2.120 1.00 20.33 O ATOM 681 CB THR A 43 -8.544 -3.069 -0.662 1.00 11.04 C ATOM 682 OG1 THR A 43 -9.474 -2.685 0.363 1.00 54.33 O ATOM 683 CG2 THR A 43 -9.115 -4.248 -1.446 1.00 43.12 C ATOM 0 H THR A 43 -7.112 -1.446 0.672 1.00 65.44 H new ATOM 0 HA THR A 43 -7.289 -4.307 0.588 1.00 11.50 H new ATOM 0 HB THR A 43 -8.392 -2.232 -1.343 1.00 11.04 H new ATOM 0 HG1 THR A 43 -10.384 -2.919 0.084 1.00 54.33 H new ATOM 0 HG21 THR A 43 -10.080 -3.970 -1.869 1.00 43.12 H new ATOM 0 HG22 THR A 43 -8.430 -4.516 -2.250 1.00 43.12 H new ATOM 0 HG23 THR A 43 -9.243 -5.101 -0.779 1.00 43.12 H new ATOM 691 N VAL A 44 -5.464 -4.826 -1.110 1.00 44.44 N ATOM 692 CA VAL A 44 -4.454 -5.136 -2.127 1.00 32.14 C ATOM 693 C VAL A 44 -5.066 -5.918 -3.302 1.00 35.13 C ATOM 694 O VAL A 44 -5.435 -7.088 -3.180 1.00 52.02 O ATOM 695 CB VAL A 44 -3.230 -5.889 -1.527 1.00 40.15 C ATOM 696 CG1 VAL A 44 -3.654 -7.151 -0.789 1.00 22.25 C ATOM 697 CG2 VAL A 44 -2.203 -6.211 -2.619 1.00 74.23 C ATOM 0 H VAL A 44 -5.557 -5.524 -0.373 1.00 44.44 H new ATOM 0 HA VAL A 44 -4.087 -4.184 -2.511 1.00 32.14 H new ATOM 0 HB VAL A 44 -2.761 -5.228 -0.798 1.00 40.15 H new ATOM 0 HG11 VAL A 44 -2.773 -7.649 -0.384 1.00 22.25 H new ATOM 0 HG12 VAL A 44 -4.328 -6.887 0.026 1.00 22.25 H new ATOM 0 HG13 VAL A 44 -4.165 -7.822 -1.479 1.00 22.25 H new ATOM 0 HG21 VAL A 44 -1.356 -6.737 -2.178 1.00 74.23 H new ATOM 0 HG22 VAL A 44 -2.665 -6.841 -3.379 1.00 74.23 H new ATOM 0 HG23 VAL A 44 -1.856 -5.285 -3.077 1.00 74.23 H new ATOM 707 N LEU A 45 -5.181 -5.240 -4.441 1.00 71.31 N ATOM 708 CA LEU A 45 -5.838 -5.797 -5.627 1.00 74.24 C ATOM 709 C LEU A 45 -4.889 -6.691 -6.440 1.00 64.14 C ATOM 710 O LEU A 45 -5.332 -7.589 -7.159 1.00 2.24 O ATOM 711 CB LEU A 45 -6.366 -4.653 -6.504 1.00 74.53 C ATOM 712 CG LEU A 45 -7.345 -3.694 -5.804 1.00 3.24 C ATOM 713 CD1 LEU A 45 -7.747 -2.557 -6.735 1.00 12.33 C ATOM 714 CD2 LEU A 45 -8.577 -4.449 -5.305 1.00 72.41 C ATOM 0 H LEU A 45 -4.824 -4.293 -4.571 1.00 71.31 H new ATOM 0 HA LEU A 45 -6.667 -6.421 -5.293 1.00 74.24 H new ATOM 0 HB2 LEU A 45 -5.517 -4.076 -6.872 1.00 74.53 H new ATOM 0 HB3 LEU A 45 -6.862 -5.082 -7.375 1.00 74.53 H new ATOM 0 HG LEU A 45 -6.839 -3.261 -4.941 1.00 3.24 H new ATOM 0 HD11 LEU A 45 -8.439 -1.892 -6.219 1.00 12.33 H new ATOM 0 HD12 LEU A 45 -6.859 -1.998 -7.031 1.00 12.33 H new ATOM 0 HD13 LEU A 45 -8.230 -2.967 -7.622 1.00 12.33 H new ATOM 0 HD21 LEU A 45 -9.256 -3.753 -4.813 1.00 72.41 H new ATOM 0 HD22 LEU A 45 -9.084 -4.916 -6.149 1.00 72.41 H new ATOM 0 HD23 LEU A 45 -8.270 -5.218 -4.596 1.00 72.41 H new ATOM 726 N ASP A 46 -3.584 -6.443 -6.327 1.00 54.35 N ATOM 727 CA ASP A 46 -2.587 -7.227 -7.059 1.00 24.41 C ATOM 728 C ASP A 46 -1.372 -7.545 -6.173 1.00 61.11 C ATOM 729 O ASP A 46 -0.601 -6.655 -5.812 1.00 21.04 O ATOM 730 CB ASP A 46 -2.139 -6.470 -8.319 1.00 45.44 C ATOM 731 CG ASP A 46 -1.426 -7.367 -9.318 1.00 34.41 C ATOM 732 OD1 ASP A 46 -0.322 -7.860 -9.015 1.00 64.15 O ATOM 733 OD2 ASP A 46 -1.974 -7.589 -10.420 1.00 14.54 O ATOM 0 H ASP A 46 -3.193 -5.708 -5.738 1.00 54.35 H new ATOM 0 HA ASP A 46 -3.048 -8.170 -7.353 1.00 24.41 H new ATOM 0 HB2 ASP A 46 -3.009 -6.020 -8.797 1.00 45.44 H new ATOM 0 HB3 ASP A 46 -1.476 -5.654 -8.032 1.00 45.44 H new ATOM 738 N ASP A 47 -1.226 -8.818 -5.815 1.00 3.02 N ATOM 739 CA ASP A 47 -0.075 -9.291 -5.039 1.00 62.24 C ATOM 740 C ASP A 47 0.792 -10.254 -5.874 1.00 53.22 C ATOM 741 O ASP A 47 1.637 -10.976 -5.341 1.00 24.15 O ATOM 742 CB ASP A 47 -0.566 -9.992 -3.765 1.00 31.41 C ATOM 743 CG ASP A 47 -1.470 -11.179 -4.064 1.00 12.44 C ATOM 744 OD1 ASP A 47 -0.957 -12.305 -4.231 1.00 41.04 O ATOM 745 OD2 ASP A 47 -2.703 -10.992 -4.144 1.00 65.11 O ATOM 0 H ASP A 47 -1.896 -9.550 -6.051 1.00 3.02 H new ATOM 0 HA ASP A 47 0.539 -8.432 -4.767 1.00 62.24 H new ATOM 0 HB2 ASP A 47 0.293 -10.331 -3.186 1.00 31.41 H new ATOM 0 HB3 ASP A 47 -1.105 -9.276 -3.145 1.00 31.41 H new ATOM 750 N SER A 48 0.588 -10.234 -7.194 1.00 45.13 N ATOM 751 CA SER A 48 1.229 -11.195 -8.103 1.00 24.12 C ATOM 752 C SER A 48 2.759 -11.077 -8.081 1.00 4.30 C ATOM 753 O SER A 48 3.464 -12.075 -7.907 1.00 53.04 O ATOM 754 CB SER A 48 0.707 -10.995 -9.533 1.00 61.55 C ATOM 755 OG SER A 48 1.182 -12.001 -10.420 1.00 51.42 O ATOM 0 H SER A 48 -0.019 -9.560 -7.661 1.00 45.13 H new ATOM 0 HA SER A 48 0.972 -12.196 -7.756 1.00 24.12 H new ATOM 0 HB2 SER A 48 -0.383 -11.004 -9.525 1.00 61.55 H new ATOM 0 HB3 SER A 48 1.015 -10.015 -9.898 1.00 61.55 H new ATOM 0 HG SER A 48 0.826 -11.839 -11.319 1.00 51.42 H new ATOM 761 N ASP A 49 3.270 -9.860 -8.264 1.00 0.25 N ATOM 762 CA ASP A 49 4.712 -9.613 -8.217 1.00 5.42 C ATOM 763 C ASP A 49 5.153 -9.276 -6.776 1.00 3.34 C ATOM 764 O ASP A 49 4.805 -8.223 -6.244 1.00 62.21 O ATOM 765 CB ASP A 49 5.080 -8.480 -9.180 1.00 44.42 C ATOM 766 CG ASP A 49 6.572 -8.398 -9.432 1.00 72.11 C ATOM 767 OD1 ASP A 49 7.128 -9.337 -10.048 1.00 44.15 O ATOM 768 OD2 ASP A 49 7.199 -7.408 -9.022 1.00 64.10 O ATOM 0 H ASP A 49 2.707 -9.029 -8.446 1.00 0.25 H new ATOM 0 HA ASP A 49 5.237 -10.516 -8.529 1.00 5.42 H new ATOM 0 HB2 ASP A 49 4.562 -8.629 -10.127 1.00 44.42 H new ATOM 0 HB3 ASP A 49 4.731 -7.532 -8.772 1.00 44.42 H new ATOM 773 N PRO A 50 5.939 -10.165 -6.132 1.00 30.44 N ATOM 774 CA PRO A 50 6.249 -10.070 -4.687 1.00 53.13 C ATOM 775 C PRO A 50 6.951 -8.766 -4.257 1.00 14.12 C ATOM 776 O PRO A 50 6.959 -8.434 -3.072 1.00 54.43 O ATOM 777 CB PRO A 50 7.159 -11.286 -4.433 1.00 33.55 C ATOM 778 CG PRO A 50 7.688 -11.659 -5.776 1.00 71.54 C ATOM 779 CD PRO A 50 6.594 -11.330 -6.752 1.00 20.20 C ATOM 0 HA PRO A 50 5.329 -10.061 -4.102 1.00 53.13 H new ATOM 0 HB2 PRO A 50 7.967 -11.037 -3.746 1.00 33.55 H new ATOM 0 HB3 PRO A 50 6.602 -12.109 -3.986 1.00 33.55 H new ATOM 0 HG2 PRO A 50 8.597 -11.104 -6.006 1.00 71.54 H new ATOM 0 HG3 PRO A 50 7.942 -12.718 -5.816 1.00 71.54 H new ATOM 0 HD2 PRO A 50 6.991 -11.092 -7.739 1.00 20.20 H new ATOM 0 HD3 PRO A 50 5.902 -12.163 -6.879 1.00 20.20 H new ATOM 787 N ASN A 51 7.536 -8.031 -5.200 1.00 31.22 N ATOM 788 CA ASN A 51 8.232 -6.777 -4.864 1.00 22.13 C ATOM 789 C ASN A 51 7.441 -5.523 -5.286 1.00 2.14 C ATOM 790 O ASN A 51 7.830 -4.405 -4.951 1.00 35.32 O ATOM 791 CB ASN A 51 9.645 -6.760 -5.465 1.00 63.33 C ATOM 792 CG ASN A 51 9.699 -7.326 -6.868 1.00 35.11 C ATOM 793 OD1 ASN A 51 9.639 -6.601 -7.849 1.00 42.53 O ATOM 794 ND2 ASN A 51 9.808 -8.636 -6.971 1.00 12.23 N ATOM 0 H ASN A 51 7.546 -8.272 -6.191 1.00 31.22 H new ATOM 0 HA ASN A 51 8.312 -6.744 -3.777 1.00 22.13 H new ATOM 0 HB2 ASN A 51 10.016 -5.735 -5.478 1.00 63.33 H new ATOM 0 HB3 ASN A 51 10.314 -7.332 -4.822 1.00 63.33 H new ATOM 0 HD21 ASN A 51 9.845 -9.074 -7.891 1.00 12.23 H new ATOM 0 HD22 ASN A 51 9.856 -9.211 -6.130 1.00 12.23 H new ATOM 801 N TRP A 52 6.328 -5.709 -6.001 1.00 53.14 N ATOM 802 CA TRP A 52 5.478 -4.584 -6.424 1.00 31.14 C ATOM 803 C TRP A 52 3.981 -4.909 -6.281 1.00 65.24 C ATOM 804 O TRP A 52 3.363 -5.466 -7.192 1.00 4.24 O ATOM 805 CB TRP A 52 5.794 -4.175 -7.874 1.00 35.54 C ATOM 806 CG TRP A 52 7.042 -3.345 -8.014 1.00 2.11 C ATOM 807 CD1 TRP A 52 8.336 -3.787 -8.021 1.00 2.44 C ATOM 808 CD2 TRP A 52 7.106 -1.925 -8.177 1.00 62.10 C ATOM 809 NE1 TRP A 52 9.194 -2.726 -8.180 1.00 13.13 N ATOM 810 CE2 TRP A 52 8.464 -1.574 -8.275 1.00 43.54 C ATOM 811 CE3 TRP A 52 6.140 -0.914 -8.244 1.00 20.23 C ATOM 812 CZ2 TRP A 52 8.881 -0.256 -8.445 1.00 0.41 C ATOM 813 CZ3 TRP A 52 6.556 0.392 -8.409 1.00 52.04 C ATOM 814 CH2 TRP A 52 7.917 0.711 -8.509 1.00 52.34 C ATOM 0 H TRP A 52 5.992 -6.624 -6.300 1.00 53.14 H new ATOM 0 HA TRP A 52 5.702 -3.748 -5.762 1.00 31.14 H new ATOM 0 HB2 TRP A 52 5.897 -5.075 -8.481 1.00 35.54 H new ATOM 0 HB3 TRP A 52 4.950 -3.615 -8.276 1.00 35.54 H new ATOM 0 HD1 TRP A 52 8.639 -4.818 -7.917 1.00 2.44 H new ATOM 0 HE1 TRP A 52 10.211 -2.788 -8.221 1.00 13.13 H new ATOM 0 HE3 TRP A 52 5.089 -1.151 -8.168 1.00 20.23 H new ATOM 0 HZ2 TRP A 52 9.929 -0.007 -8.523 1.00 0.41 H new ATOM 0 HZ3 TRP A 52 5.820 1.181 -8.462 1.00 52.04 H new ATOM 0 HH2 TRP A 52 8.210 1.742 -8.639 1.00 52.34 H new ATOM 825 N TRP A 53 3.409 -4.564 -5.127 1.00 33.22 N ATOM 826 CA TRP A 53 1.978 -4.778 -4.868 1.00 13.32 C ATOM 827 C TRP A 53 1.144 -3.528 -5.197 1.00 24.04 C ATOM 828 O TRP A 53 1.617 -2.392 -5.067 1.00 74.41 O ATOM 829 CB TRP A 53 1.759 -5.170 -3.399 1.00 24.54 C ATOM 830 CG TRP A 53 2.234 -6.553 -3.049 1.00 1.32 C ATOM 831 CD1 TRP A 53 3.071 -7.351 -3.778 1.00 50.15 C ATOM 832 CD2 TRP A 53 1.900 -7.294 -1.869 1.00 74.23 C ATOM 833 NE1 TRP A 53 3.267 -8.544 -3.128 1.00 43.31 N ATOM 834 CE2 TRP A 53 2.562 -8.533 -1.953 1.00 43.14 C ATOM 835 CE3 TRP A 53 1.101 -7.029 -0.751 1.00 60.23 C ATOM 836 CZ2 TRP A 53 2.450 -9.505 -0.961 1.00 23.41 C ATOM 837 CZ3 TRP A 53 0.991 -7.995 0.232 1.00 73.53 C ATOM 838 CH2 TRP A 53 1.663 -9.219 0.123 1.00 30.34 C ATOM 0 H TRP A 53 3.914 -4.134 -4.352 1.00 33.22 H new ATOM 0 HA TRP A 53 1.646 -5.587 -5.519 1.00 13.32 H new ATOM 0 HB2 TRP A 53 2.274 -4.450 -2.763 1.00 24.54 H new ATOM 0 HB3 TRP A 53 0.696 -5.095 -3.170 1.00 24.54 H new ATOM 0 HD1 TRP A 53 3.513 -7.082 -4.726 1.00 50.15 H new ATOM 0 HE1 TRP A 53 3.844 -9.314 -3.465 1.00 43.31 H new ATOM 0 HE3 TRP A 53 0.580 -6.088 -0.658 1.00 60.23 H new ATOM 0 HZ2 TRP A 53 2.965 -10.450 -1.044 1.00 23.41 H new ATOM 0 HZ3 TRP A 53 0.376 -7.802 1.099 1.00 73.53 H new ATOM 0 HH2 TRP A 53 1.559 -9.952 0.909 1.00 30.34 H new ATOM 849 N LYS A 54 -0.105 -3.742 -5.614 1.00 54.25 N ATOM 850 CA LYS A 54 -1.034 -2.643 -5.915 1.00 13.51 C ATOM 851 C LYS A 54 -2.258 -2.698 -4.986 1.00 50.01 C ATOM 852 O LYS A 54 -2.915 -3.738 -4.879 1.00 13.42 O ATOM 853 CB LYS A 54 -1.480 -2.717 -7.382 1.00 31.33 C ATOM 854 CG LYS A 54 -2.363 -1.552 -7.823 1.00 1.04 C ATOM 855 CD LYS A 54 -2.666 -1.605 -9.320 1.00 71.00 C ATOM 856 CE LYS A 54 -3.508 -0.418 -9.772 1.00 62.04 C ATOM 857 NZ LYS A 54 -3.741 -0.434 -11.242 1.00 51.21 N ATOM 0 H LYS A 54 -0.502 -4.671 -5.753 1.00 54.25 H new ATOM 0 HA LYS A 54 -0.517 -1.698 -5.748 1.00 13.51 H new ATOM 0 HB2 LYS A 54 -0.596 -2.750 -8.018 1.00 31.33 H new ATOM 0 HB3 LYS A 54 -2.022 -3.650 -7.540 1.00 31.33 H new ATOM 0 HG2 LYS A 54 -3.297 -1.571 -7.262 1.00 1.04 H new ATOM 0 HG3 LYS A 54 -1.868 -0.610 -7.585 1.00 1.04 H new ATOM 0 HD2 LYS A 54 -1.731 -1.620 -9.879 1.00 71.00 H new ATOM 0 HD3 LYS A 54 -3.191 -2.532 -9.551 1.00 71.00 H new ATOM 0 HE2 LYS A 54 -4.466 -0.433 -9.252 1.00 62.04 H new ATOM 0 HE3 LYS A 54 -3.008 0.510 -9.493 1.00 62.04 H new ATOM 0 HZ1 LYS A 54 -4.317 0.389 -11.511 1.00 51.21 H new ATOM 0 HZ2 LYS A 54 -2.828 -0.395 -11.739 1.00 51.21 H new ATOM 0 HZ3 LYS A 54 -4.241 -1.307 -11.505 1.00 51.21 H new ATOM 871 N GLY A 55 -2.574 -1.579 -4.331 1.00 2.30 N ATOM 872 CA GLY A 55 -3.643 -1.576 -3.336 1.00 31.42 C ATOM 873 C GLY A 55 -4.590 -0.378 -3.419 1.00 12.44 C ATOM 874 O GLY A 55 -4.432 0.510 -4.261 1.00 34.35 O ATOM 0 H GLY A 55 -2.113 -0.679 -4.469 1.00 2.30 H new ATOM 0 HA2 GLY A 55 -4.226 -2.491 -3.446 1.00 31.42 H new ATOM 0 HA3 GLY A 55 -3.196 -1.600 -2.342 1.00 31.42 H new ATOM 878 N GLU A 56 -5.574 -0.364 -2.520 1.00 34.41 N ATOM 879 CA GLU A 56 -6.592 0.694 -2.461 1.00 25.01 C ATOM 880 C GLU A 56 -6.809 1.177 -1.018 1.00 14.01 C ATOM 881 O GLU A 56 -7.023 0.370 -0.109 1.00 3.44 O ATOM 882 CB GLU A 56 -7.928 0.167 -3.014 1.00 2.24 C ATOM 883 CG GLU A 56 -9.082 1.166 -2.905 1.00 73.54 C ATOM 884 CD GLU A 56 -10.446 0.513 -3.070 1.00 63.11 C ATOM 885 OE1 GLU A 56 -10.933 0.408 -4.215 1.00 13.10 O ATOM 886 OE2 GLU A 56 -11.041 0.104 -2.046 1.00 2.53 O ATOM 0 H GLU A 56 -5.691 -1.086 -1.809 1.00 34.41 H new ATOM 0 HA GLU A 56 -6.238 1.530 -3.064 1.00 25.01 H new ATOM 0 HB2 GLU A 56 -7.794 -0.106 -4.061 1.00 2.24 H new ATOM 0 HB3 GLU A 56 -8.197 -0.744 -2.479 1.00 2.24 H new ATOM 0 HG2 GLU A 56 -9.037 1.662 -1.935 1.00 73.54 H new ATOM 0 HG3 GLU A 56 -8.960 1.939 -3.664 1.00 73.54 H new ATOM 893 N THR A 57 -6.748 2.490 -0.811 1.00 32.22 N ATOM 894 CA THR A 57 -7.065 3.088 0.496 1.00 50.10 C ATOM 895 C THR A 57 -8.166 4.143 0.357 1.00 44.03 C ATOM 896 O THR A 57 -8.666 4.398 -0.742 1.00 24.32 O ATOM 897 CB THR A 57 -5.828 3.763 1.143 1.00 21.02 C ATOM 898 OG1 THR A 57 -5.476 4.954 0.417 1.00 31.02 O ATOM 899 CG2 THR A 57 -4.635 2.815 1.182 1.00 53.42 C ATOM 0 H THR A 57 -6.483 3.166 -1.528 1.00 32.22 H new ATOM 0 HA THR A 57 -7.400 2.271 1.135 1.00 50.10 H new ATOM 0 HB THR A 57 -6.091 4.025 2.168 1.00 21.02 H new ATOM 0 HG1 THR A 57 -4.546 5.194 0.614 1.00 31.02 H new ATOM 0 HG21 THR A 57 -3.785 3.319 1.641 1.00 53.42 H new ATOM 0 HG22 THR A 57 -4.892 1.931 1.766 1.00 53.42 H new ATOM 0 HG23 THR A 57 -4.374 2.516 0.167 1.00 53.42 H new ATOM 907 N HIS A 58 -8.544 4.764 1.470 1.00 12.11 N ATOM 908 CA HIS A 58 -9.499 5.876 1.438 1.00 15.30 C ATOM 909 C HIS A 58 -8.802 7.193 1.056 1.00 4.03 C ATOM 910 O HIS A 58 -9.448 8.231 0.908 1.00 33.42 O ATOM 911 CB HIS A 58 -10.213 6.008 2.786 1.00 62.10 C ATOM 912 CG HIS A 58 -11.026 4.798 3.136 1.00 34.22 C ATOM 913 ND1 HIS A 58 -12.117 4.389 2.399 1.00 73.52 N ATOM 914 CD2 HIS A 58 -10.894 3.897 4.136 1.00 75.20 C ATOM 915 CE1 HIS A 58 -12.615 3.292 2.927 1.00 32.34 C ATOM 916 NE2 HIS A 58 -11.894 2.971 3.981 1.00 25.53 N ATOM 0 H HIS A 58 -8.208 4.521 2.402 1.00 12.11 H new ATOM 0 HA HIS A 58 -10.245 5.661 0.673 1.00 15.30 H new ATOM 0 HB2 HIS A 58 -9.473 6.181 3.568 1.00 62.10 H new ATOM 0 HB3 HIS A 58 -10.863 6.882 2.763 1.00 62.10 H new ATOM 0 HD2 HIS A 58 -10.142 3.905 4.911 1.00 75.20 H new ATOM 0 HE1 HIS A 58 -13.471 2.746 2.558 1.00 32.34 H new ATOM 0 HE2 HIS A 58 -12.053 2.164 4.585 1.00 25.53 H new ATOM 925 N GLN A 59 -7.479 7.140 0.912 1.00 24.33 N ATOM 926 CA GLN A 59 -6.699 8.271 0.395 1.00 30.32 C ATOM 927 C GLN A 59 -6.577 8.190 -1.138 1.00 53.20 C ATOM 928 O GLN A 59 -6.649 9.204 -1.833 1.00 53.23 O ATOM 929 CB GLN A 59 -5.298 8.288 1.028 1.00 63.50 C ATOM 930 CG GLN A 59 -4.406 9.430 0.548 1.00 53.42 C ATOM 931 CD GLN A 59 -4.950 10.796 0.922 1.00 11.44 C ATOM 932 OE1 GLN A 59 -5.714 11.407 0.177 1.00 0.12 O ATOM 933 NE2 GLN A 59 -4.561 11.291 2.074 1.00 52.41 N ATOM 0 H GLN A 59 -6.918 6.321 1.147 1.00 24.33 H new ATOM 0 HA GLN A 59 -7.220 9.192 0.658 1.00 30.32 H new ATOM 0 HB2 GLN A 59 -5.402 8.354 2.111 1.00 63.50 H new ATOM 0 HB3 GLN A 59 -4.803 7.341 0.813 1.00 63.50 H new ATOM 0 HG2 GLN A 59 -3.410 9.311 0.974 1.00 53.42 H new ATOM 0 HG3 GLN A 59 -4.298 9.371 -0.535 1.00 53.42 H new ATOM 0 HE21 GLN A 59 -3.926 10.759 2.669 1.00 52.41 H new ATOM 0 HE22 GLN A 59 -4.893 12.208 2.374 1.00 52.41 H new ATOM 942 N GLY A 60 -6.374 6.975 -1.654 1.00 10.03 N ATOM 943 CA GLY A 60 -6.267 6.777 -3.099 1.00 74.34 C ATOM 944 C GLY A 60 -5.883 5.354 -3.500 1.00 42.20 C ATOM 945 O GLY A 60 -5.747 4.472 -2.653 1.00 3.51 O ATOM 0 H GLY A 60 -6.282 6.124 -1.099 1.00 10.03 H new ATOM 0 HA2 GLY A 60 -7.220 7.030 -3.562 1.00 74.34 H new ATOM 0 HA3 GLY A 60 -5.525 7.469 -3.497 1.00 74.34 H new ATOM 949 N ILE A 61 -5.714 5.132 -4.806 1.00 64.43 N ATOM 950 CA ILE A 61 -5.324 3.820 -5.339 1.00 5.02 C ATOM 951 C ILE A 61 -3.934 3.907 -5.999 1.00 73.13 C ATOM 952 O ILE A 61 -3.686 4.800 -6.813 1.00 33.31 O ATOM 953 CB ILE A 61 -6.348 3.295 -6.393 1.00 2.33 C ATOM 954 CG1 ILE A 61 -7.762 3.143 -5.790 1.00 62.30 C ATOM 955 CG2 ILE A 61 -5.878 1.964 -6.982 1.00 71.12 C ATOM 956 CD1 ILE A 61 -8.497 4.453 -5.582 1.00 32.22 C ATOM 0 H ILE A 61 -5.842 5.849 -5.520 1.00 64.43 H new ATOM 0 HA ILE A 61 -5.302 3.125 -4.500 1.00 5.02 H new ATOM 0 HB ILE A 61 -6.404 4.036 -7.191 1.00 2.33 H new ATOM 0 HG12 ILE A 61 -8.357 2.506 -6.445 1.00 62.30 H new ATOM 0 HG13 ILE A 61 -7.682 2.629 -4.832 1.00 62.30 H new ATOM 0 HG21 ILE A 61 -6.605 1.614 -7.715 1.00 71.12 H new ATOM 0 HG22 ILE A 61 -4.911 2.102 -7.467 1.00 71.12 H new ATOM 0 HG23 ILE A 61 -5.782 1.227 -6.185 1.00 71.12 H new ATOM 0 HD11 ILE A 61 -9.480 4.255 -5.156 1.00 32.22 H new ATOM 0 HD12 ILE A 61 -7.927 5.086 -4.901 1.00 32.22 H new ATOM 0 HD13 ILE A 61 -8.612 4.961 -6.539 1.00 32.22 H new ATOM 968 N GLY A 62 -3.035 2.983 -5.653 1.00 5.21 N ATOM 969 CA GLY A 62 -1.680 3.026 -6.204 1.00 25.41 C ATOM 970 C GLY A 62 -0.803 1.842 -5.798 1.00 2.35 C ATOM 971 O GLY A 62 -1.296 0.817 -5.327 1.00 13.01 O ATOM 0 H GLY A 62 -3.214 2.213 -5.009 1.00 5.21 H new ATOM 0 HA2 GLY A 62 -1.743 3.062 -7.292 1.00 25.41 H new ATOM 0 HA3 GLY A 62 -1.198 3.949 -5.882 1.00 25.41 H new ATOM 975 N LEU A 63 0.506 1.997 -5.997 1.00 43.24 N ATOM 976 CA LEU A 63 1.486 0.935 -5.726 1.00 44.25 C ATOM 977 C LEU A 63 2.235 1.180 -4.405 1.00 5.14 C ATOM 978 O LEU A 63 2.349 2.316 -3.941 1.00 31.04 O ATOM 979 CB LEU A 63 2.504 0.872 -6.879 1.00 12.54 C ATOM 980 CG LEU A 63 1.908 0.678 -8.288 1.00 74.21 C ATOM 981 CD1 LEU A 63 2.984 0.834 -9.362 1.00 13.22 C ATOM 982 CD2 LEU A 63 1.239 -0.689 -8.407 1.00 75.42 C ATOM 0 H LEU A 63 0.921 2.860 -6.350 1.00 43.24 H new ATOM 0 HA LEU A 63 0.946 -0.008 -5.642 1.00 44.25 H new ATOM 0 HB2 LEU A 63 3.087 1.793 -6.875 1.00 12.54 H new ATOM 0 HB3 LEU A 63 3.198 0.055 -6.682 1.00 12.54 H new ATOM 0 HG LEU A 63 1.154 1.450 -8.442 1.00 74.21 H new ATOM 0 HD11 LEU A 63 2.538 0.693 -10.347 1.00 13.22 H new ATOM 0 HD12 LEU A 63 3.418 1.832 -9.300 1.00 13.22 H new ATOM 0 HD13 LEU A 63 3.764 0.089 -9.206 1.00 13.22 H new ATOM 0 HD21 LEU A 63 0.825 -0.806 -9.409 1.00 75.42 H new ATOM 0 HD22 LEU A 63 1.976 -1.472 -8.225 1.00 75.42 H new ATOM 0 HD23 LEU A 63 0.438 -0.767 -7.672 1.00 75.42 H new ATOM 994 N PHE A 64 2.745 0.108 -3.802 1.00 70.14 N ATOM 995 CA PHE A 64 3.610 0.221 -2.617 1.00 3.45 C ATOM 996 C PHE A 64 4.702 -0.873 -2.617 1.00 72.14 C ATOM 997 O PHE A 64 4.603 -1.878 -1.916 1.00 60.54 O ATOM 998 CB PHE A 64 2.775 0.194 -1.319 1.00 72.01 C ATOM 999 CG PHE A 64 1.810 -0.964 -1.202 1.00 1.41 C ATOM 1000 CD1 PHE A 64 0.623 -0.966 -1.922 1.00 54.45 C ATOM 1001 CD2 PHE A 64 2.078 -2.035 -0.359 1.00 55.25 C ATOM 1002 CE1 PHE A 64 -0.271 -2.012 -1.807 1.00 22.13 C ATOM 1003 CE2 PHE A 64 1.188 -3.086 -0.246 1.00 73.40 C ATOM 1004 CZ PHE A 64 0.013 -3.074 -0.969 1.00 14.35 C ATOM 0 H PHE A 64 2.578 -0.850 -4.110 1.00 70.14 H new ATOM 0 HA PHE A 64 4.117 1.185 -2.660 1.00 3.45 H new ATOM 0 HB2 PHE A 64 3.456 0.167 -0.468 1.00 72.01 H new ATOM 0 HB3 PHE A 64 2.212 1.125 -1.248 1.00 72.01 H new ATOM 0 HD1 PHE A 64 0.396 -0.140 -2.580 1.00 54.45 H new ATOM 0 HD2 PHE A 64 2.993 -2.046 0.215 1.00 55.25 H new ATOM 0 HE1 PHE A 64 -1.192 -2.000 -2.371 1.00 22.13 H new ATOM 0 HE2 PHE A 64 1.412 -3.916 0.408 1.00 73.40 H new ATOM 0 HZ PHE A 64 -0.684 -3.894 -0.880 1.00 14.35 H new ATOM 1014 N PRO A 65 5.779 -0.669 -3.411 1.00 25.51 N ATOM 1015 CA PRO A 65 6.836 -1.688 -3.619 1.00 4.31 C ATOM 1016 C PRO A 65 7.630 -2.033 -2.345 1.00 44.22 C ATOM 1017 O PRO A 65 8.282 -3.078 -2.273 1.00 33.32 O ATOM 1018 CB PRO A 65 7.756 -1.036 -4.667 1.00 53.42 C ATOM 1019 CG PRO A 65 7.511 0.430 -4.532 1.00 74.40 C ATOM 1020 CD PRO A 65 6.059 0.572 -4.162 1.00 65.20 C ATOM 0 HA PRO A 65 6.406 -2.641 -3.927 1.00 4.31 H new ATOM 0 HB2 PRO A 65 8.802 -1.281 -4.482 1.00 53.42 H new ATOM 0 HB3 PRO A 65 7.520 -1.385 -5.672 1.00 53.42 H new ATOM 0 HG2 PRO A 65 8.154 0.865 -3.766 1.00 74.40 H new ATOM 0 HG3 PRO A 65 7.729 0.950 -5.465 1.00 74.40 H new ATOM 0 HD2 PRO A 65 5.883 1.459 -3.554 1.00 65.20 H new ATOM 0 HD3 PRO A 65 5.425 0.660 -5.045 1.00 65.20 H new ATOM 1028 N SER A 66 7.585 -1.156 -1.349 1.00 71.21 N ATOM 1029 CA SER A 66 8.291 -1.394 -0.082 1.00 30.53 C ATOM 1030 C SER A 66 7.685 -2.579 0.692 1.00 12.10 C ATOM 1031 O SER A 66 8.365 -3.217 1.494 1.00 12.45 O ATOM 1032 CB SER A 66 8.263 -0.134 0.788 1.00 42.14 C ATOM 1033 OG SER A 66 8.811 0.983 0.104 1.00 71.41 O ATOM 0 H SER A 66 7.071 -0.276 -1.387 1.00 71.21 H new ATOM 0 HA SER A 66 9.324 -1.643 -0.324 1.00 30.53 H new ATOM 0 HB2 SER A 66 7.236 0.085 1.080 1.00 42.14 H new ATOM 0 HB3 SER A 66 8.824 -0.311 1.705 1.00 42.14 H new ATOM 0 HG SER A 66 8.777 1.771 0.685 1.00 71.41 H new ATOM 1039 N ASN A 67 6.403 -2.862 0.442 1.00 3.14 N ATOM 1040 CA ASN A 67 5.697 -3.993 1.074 1.00 0.45 C ATOM 1041 C ASN A 67 5.775 -3.970 2.615 1.00 41.21 C ATOM 1042 O ASN A 67 5.809 -5.018 3.262 1.00 32.24 O ATOM 1043 CB ASN A 67 6.245 -5.323 0.536 1.00 54.23 C ATOM 1044 CG ASN A 67 5.973 -5.500 -0.946 1.00 22.54 C ATOM 1045 OD1 ASN A 67 4.997 -4.985 -1.476 1.00 63.23 O ATOM 1046 ND2 ASN A 67 6.829 -6.233 -1.624 1.00 3.34 N ATOM 0 H ASN A 67 5.824 -2.320 -0.199 1.00 3.14 H new ATOM 0 HA ASN A 67 4.644 -3.892 0.812 1.00 0.45 H new ATOM 0 HB2 ASN A 67 7.319 -5.369 0.714 1.00 54.23 H new ATOM 0 HB3 ASN A 67 5.795 -6.149 1.087 1.00 54.23 H new ATOM 0 HD21 ASN A 67 6.690 -6.387 -2.623 1.00 3.34 H new ATOM 0 HD22 ASN A 67 7.632 -6.648 -1.151 1.00 3.34 H new ATOM 1053 N PHE A 68 5.756 -2.773 3.196 1.00 41.31 N ATOM 1054 CA PHE A 68 5.773 -2.601 4.661 1.00 44.24 C ATOM 1055 C PHE A 68 4.397 -2.908 5.292 1.00 13.34 C ATOM 1056 O PHE A 68 3.944 -2.212 6.206 1.00 13.25 O ATOM 1057 CB PHE A 68 6.211 -1.164 4.996 1.00 43.43 C ATOM 1058 CG PHE A 68 5.509 -0.106 4.177 1.00 63.02 C ATOM 1059 CD1 PHE A 68 4.146 0.098 4.300 1.00 64.10 C ATOM 1060 CD2 PHE A 68 6.219 0.681 3.279 1.00 42.42 C ATOM 1061 CE1 PHE A 68 3.505 1.054 3.547 1.00 43.43 C ATOM 1062 CE2 PHE A 68 5.579 1.642 2.524 1.00 61.12 C ATOM 1063 CZ PHE A 68 4.219 1.827 2.658 1.00 22.11 C ATOM 0 H PHE A 68 5.729 -1.896 2.676 1.00 41.31 H new ATOM 0 HA PHE A 68 6.483 -3.312 5.083 1.00 44.24 H new ATOM 0 HB2 PHE A 68 6.025 -0.975 6.053 1.00 43.43 H new ATOM 0 HB3 PHE A 68 7.286 -1.076 4.841 1.00 43.43 H new ATOM 0 HD1 PHE A 68 3.578 -0.501 4.996 1.00 64.10 H new ATOM 0 HD2 PHE A 68 7.284 0.539 3.171 1.00 42.42 H new ATOM 0 HE1 PHE A 68 2.440 1.199 3.653 1.00 43.43 H new ATOM 0 HE2 PHE A 68 6.142 2.248 1.830 1.00 61.12 H new ATOM 0 HZ PHE A 68 3.714 2.577 2.067 1.00 22.11 H new ATOM 1073 N VAL A 69 3.750 -3.967 4.818 1.00 15.30 N ATOM 1074 CA VAL A 69 2.405 -4.332 5.275 1.00 3.23 C ATOM 1075 C VAL A 69 2.346 -5.790 5.762 1.00 34.24 C ATOM 1076 O VAL A 69 3.266 -6.576 5.529 1.00 22.33 O ATOM 1077 CB VAL A 69 1.361 -4.123 4.143 1.00 11.03 C ATOM 1078 CG1 VAL A 69 1.211 -2.640 3.801 1.00 4.43 C ATOM 1079 CG2 VAL A 69 1.745 -4.927 2.903 1.00 51.23 C ATOM 0 H VAL A 69 4.135 -4.595 4.112 1.00 15.30 H new ATOM 0 HA VAL A 69 2.165 -3.678 6.113 1.00 3.23 H new ATOM 0 HB VAL A 69 0.397 -4.484 4.502 1.00 11.03 H new ATOM 0 HG11 VAL A 69 0.474 -2.523 3.006 1.00 4.43 H new ATOM 0 HG12 VAL A 69 0.881 -2.094 4.685 1.00 4.43 H new ATOM 0 HG13 VAL A 69 2.171 -2.245 3.468 1.00 4.43 H new ATOM 0 HG21 VAL A 69 1.002 -4.768 2.122 1.00 51.23 H new ATOM 0 HG22 VAL A 69 2.722 -4.601 2.546 1.00 51.23 H new ATOM 0 HG23 VAL A 69 1.785 -5.987 3.155 1.00 51.23 H new ATOM 1089 N THR A 70 1.256 -6.143 6.440 1.00 70.13 N ATOM 1090 CA THR A 70 1.063 -7.504 6.965 1.00 14.55 C ATOM 1091 C THR A 70 -0.385 -7.980 6.781 1.00 11.02 C ATOM 1092 O THR A 70 -1.280 -7.184 6.499 1.00 53.34 O ATOM 1093 CB THR A 70 1.441 -7.598 8.465 1.00 63.52 C ATOM 1094 OG1 THR A 70 1.188 -8.923 8.965 1.00 71.14 O ATOM 1095 CG2 THR A 70 0.667 -6.579 9.292 1.00 32.11 C ATOM 0 H THR A 70 0.486 -5.506 6.642 1.00 70.13 H new ATOM 0 HA THR A 70 1.726 -8.151 6.391 1.00 14.55 H new ATOM 0 HB THR A 70 2.505 -7.378 8.554 1.00 63.52 H new ATOM 0 HG1 THR A 70 1.433 -8.967 9.913 1.00 71.14 H new ATOM 0 HG21 THR A 70 0.953 -6.668 10.340 1.00 32.11 H new ATOM 0 HG22 THR A 70 0.896 -5.574 8.938 1.00 32.11 H new ATOM 0 HG23 THR A 70 -0.402 -6.765 9.190 1.00 32.11 H new ATOM 1103 N ALA A 71 -0.611 -9.281 6.955 1.00 11.14 N ATOM 1104 CA ALA A 71 -1.924 -9.886 6.689 1.00 32.01 C ATOM 1105 C ALA A 71 -2.863 -9.818 7.905 1.00 30.33 C ATOM 1106 O ALA A 71 -2.666 -10.517 8.902 1.00 55.34 O ATOM 1107 CB ALA A 71 -1.751 -11.331 6.235 1.00 64.31 C ATOM 0 H ALA A 71 0.096 -9.941 7.279 1.00 11.14 H new ATOM 0 HA ALA A 71 -2.391 -9.305 5.894 1.00 32.01 H new ATOM 0 HB1 ALA A 71 -2.729 -11.771 6.040 1.00 64.31 H new ATOM 0 HB2 ALA A 71 -1.154 -11.357 5.324 1.00 64.31 H new ATOM 0 HB3 ALA A 71 -1.246 -11.900 7.016 1.00 64.31 H new