USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 SER OG : rot 180:sc= -0.0124 USER MOD Set 1.2: A 63 ASN : amide:sc= -1.56 K(o=-1.6,f=-7.4!) USER MOD Single : A 18 ASN : amide:sc= -0.159 K(o=-0.16,f=-7.3!) USER MOD Single : A 21 MET CE :methyl 177:sc= -1.17 (180deg=-1.23) USER MOD Single : A 24 ASN : amide:sc= -0.848 K(o=-0.85,f=-3.7!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= 0.204 (180deg=0.0156) USER MOD Single : A 32 TYR OH : rot 50:sc= -0.336 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -173:sc= -0.446 (180deg=-0.48) USER MOD Single : A 55 GLN : amide:sc= -0.653 K(o=-0.65,f=-1.6) USER MOD Single : A 56 LYS NZ :NH3+ 159:sc= 1.25 (180deg=0.458) USER MOD Single : A 58 GLN : amide:sc= 0.663 K(o=0.66,f=-0.52) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0738) USER MOD ----------------------------------------------------------------- ATOM 283 N ASN A 18 -7.733 9.581 2.754 1.00 1.31 N ATOM 284 CA ASN A 18 -6.956 8.406 3.202 1.00 42.42 C ATOM 285 C ASN A 18 -6.435 7.590 1.997 1.00 32.40 C ATOM 286 O ASN A 18 -7.219 7.077 1.201 1.00 75.05 O ATOM 287 CB ASN A 18 -7.798 7.510 4.123 1.00 4.54 C ATOM 288 CG ASN A 18 -7.062 6.250 4.544 1.00 31.44 C ATOM 289 OD1 ASN A 18 -7.089 5.240 3.849 1.00 42.11 O ATOM 290 ND2 ASN A 18 -6.408 6.296 5.686 1.00 21.11 N ATOM 0 HA ASN A 18 -6.098 8.774 3.765 1.00 42.42 H new ATOM 0 HB2 ASN A 18 -8.083 8.074 5.011 1.00 4.54 H new ATOM 0 HB3 ASN A 18 -8.720 7.234 3.611 1.00 4.54 H new ATOM 0 HD21 ASN A 18 -5.903 5.474 6.018 1.00 21.11 H new ATOM 0 HD22 ASN A 18 -6.407 7.153 6.239 1.00 21.11 H new ATOM 297 N PRO A 19 -5.100 7.443 1.853 1.00 62.01 N ATOM 298 CA PRO A 19 -4.494 6.770 0.682 1.00 23.25 C ATOM 299 C PRO A 19 -5.006 5.336 0.452 1.00 63.33 C ATOM 300 O PRO A 19 -5.196 4.916 -0.690 1.00 43.12 O ATOM 301 CB PRO A 19 -2.989 6.764 1.002 1.00 53.11 C ATOM 302 CG PRO A 19 -2.893 7.043 2.466 1.00 73.24 C ATOM 303 CD PRO A 19 -4.076 7.911 2.801 1.00 41.43 C ATOM 0 HA PRO A 19 -4.750 7.291 -0.240 1.00 23.25 H new ATOM 0 HB2 PRO A 19 -2.539 5.803 0.755 1.00 53.11 H new ATOM 0 HB3 PRO A 19 -2.461 7.521 0.422 1.00 53.11 H new ATOM 0 HG2 PRO A 19 -2.912 6.118 3.042 1.00 73.24 H new ATOM 0 HG3 PRO A 19 -1.958 7.548 2.706 1.00 73.24 H new ATOM 0 HD2 PRO A 19 -4.393 7.782 3.836 1.00 41.43 H new ATOM 0 HD3 PRO A 19 -3.853 8.969 2.666 1.00 41.43 H new ATOM 311 N VAL A 20 -5.231 4.593 1.533 1.00 63.42 N ATOM 312 CA VAL A 20 -5.696 3.202 1.436 1.00 24.22 C ATOM 313 C VAL A 20 -7.091 3.128 0.793 1.00 50.24 C ATOM 314 O VAL A 20 -7.278 2.500 -0.250 1.00 4.42 O ATOM 315 CB VAL A 20 -5.736 2.523 2.828 1.00 4.30 C ATOM 316 CG1 VAL A 20 -6.211 1.073 2.720 1.00 23.13 C ATOM 317 CG2 VAL A 20 -4.368 2.595 3.504 1.00 12.01 C ATOM 0 H VAL A 20 -5.100 4.926 2.488 1.00 63.42 H new ATOM 0 HA VAL A 20 -4.984 2.671 0.805 1.00 24.22 H new ATOM 0 HB VAL A 20 -6.452 3.065 3.445 1.00 4.30 H new ATOM 0 HG11 VAL A 20 -6.229 0.621 3.712 1.00 23.13 H new ATOM 0 HG12 VAL A 20 -7.213 1.049 2.292 1.00 23.13 H new ATOM 0 HG13 VAL A 20 -5.529 0.514 2.079 1.00 23.13 H new ATOM 0 HG21 VAL A 20 -4.419 2.112 4.480 1.00 12.01 H new ATOM 0 HG22 VAL A 20 -3.629 2.086 2.885 1.00 12.01 H new ATOM 0 HG23 VAL A 20 -4.079 3.638 3.630 1.00 12.01 H new ATOM 327 N MET A 21 -8.062 3.794 1.415 1.00 73.34 N ATOM 328 CA MET A 21 -9.438 3.798 0.907 1.00 43.53 C ATOM 329 C MET A 21 -9.530 4.473 -0.472 1.00 31.45 C ATOM 330 O MET A 21 -10.360 4.095 -1.303 1.00 52.40 O ATOM 331 CB MET A 21 -10.369 4.497 1.906 1.00 15.10 C ATOM 332 CG MET A 21 -10.398 3.835 3.278 1.00 60.41 C ATOM 333 SD MET A 21 -11.641 4.553 4.376 1.00 62.12 S ATOM 334 CE MET A 21 -11.089 6.255 4.470 1.00 63.03 C ATOM 0 H MET A 21 -7.925 4.336 2.268 1.00 73.34 H new ATOM 0 HA MET A 21 -9.754 2.761 0.790 1.00 43.53 H new ATOM 0 HB2 MET A 21 -10.054 5.534 2.019 1.00 15.10 H new ATOM 0 HB3 MET A 21 -11.380 4.513 1.498 1.00 15.10 H new ATOM 0 HG2 MET A 21 -10.597 2.770 3.158 1.00 60.41 H new ATOM 0 HG3 MET A 21 -9.415 3.925 3.741 1.00 60.41 H new ATOM 0 HE1 MET A 21 -11.791 6.832 5.072 1.00 63.03 H new ATOM 0 HE2 MET A 21 -10.101 6.292 4.929 1.00 63.03 H new ATOM 0 HE3 MET A 21 -11.039 6.677 3.466 1.00 63.03 H new ATOM 344 N GLU A 22 -8.673 5.468 -0.707 1.00 53.01 N ATOM 345 CA GLU A 22 -8.620 6.163 -2.000 1.00 5.21 C ATOM 346 C GLU A 22 -8.081 5.252 -3.113 1.00 63.34 C ATOM 347 O GLU A 22 -8.623 5.217 -4.222 1.00 1.53 O ATOM 348 CB GLU A 22 -7.764 7.433 -1.887 1.00 3.05 C ATOM 349 CG GLU A 22 -7.520 8.133 -3.220 1.00 53.34 C ATOM 350 CD GLU A 22 -7.044 9.567 -3.051 1.00 60.14 C ATOM 351 OE1 GLU A 22 -7.901 10.445 -2.823 1.00 43.01 O ATOM 352 OE2 GLU A 22 -5.825 9.822 -3.164 1.00 51.41 O ATOM 0 H GLU A 22 -8.004 5.813 -0.019 1.00 53.01 H new ATOM 0 HA GLU A 22 -9.639 6.443 -2.268 1.00 5.21 H new ATOM 0 HB2 GLU A 22 -8.253 8.130 -1.206 1.00 3.05 H new ATOM 0 HB3 GLU A 22 -6.803 7.174 -1.442 1.00 3.05 H new ATOM 0 HG2 GLU A 22 -6.778 7.573 -3.789 1.00 53.34 H new ATOM 0 HG3 GLU A 22 -8.441 8.126 -3.803 1.00 53.34 H new ATOM 359 N LEU A 23 -7.016 4.510 -2.818 1.00 72.11 N ATOM 360 CA LEU A 23 -6.470 3.544 -3.776 1.00 12.21 C ATOM 361 C LEU A 23 -7.524 2.477 -4.115 1.00 45.51 C ATOM 362 O LEU A 23 -7.662 2.066 -5.270 1.00 40.23 O ATOM 363 CB LEU A 23 -5.198 2.888 -3.214 1.00 34.35 C ATOM 364 CG LEU A 23 -4.481 1.919 -4.169 1.00 22.20 C ATOM 365 CD1 LEU A 23 -4.002 2.640 -5.429 1.00 34.05 C ATOM 366 CD2 LEU A 23 -3.316 1.229 -3.463 1.00 32.35 C ATOM 0 H LEU A 23 -6.515 4.556 -1.931 1.00 72.11 H new ATOM 0 HA LEU A 23 -6.206 4.073 -4.691 1.00 12.21 H new ATOM 0 HB2 LEU A 23 -4.499 3.674 -2.929 1.00 34.35 H new ATOM 0 HB3 LEU A 23 -5.459 2.348 -2.304 1.00 34.35 H new ATOM 0 HG LEU A 23 -5.197 1.156 -4.473 1.00 22.20 H new ATOM 0 HD11 LEU A 23 -3.499 1.930 -6.085 1.00 34.05 H new ATOM 0 HD12 LEU A 23 -4.857 3.071 -5.949 1.00 34.05 H new ATOM 0 HD13 LEU A 23 -3.308 3.433 -5.152 1.00 34.05 H new ATOM 0 HD21 LEU A 23 -2.822 0.548 -4.156 1.00 32.35 H new ATOM 0 HD22 LEU A 23 -2.602 1.979 -3.121 1.00 32.35 H new ATOM 0 HD23 LEU A 23 -3.690 0.667 -2.607 1.00 32.35 H new ATOM 378 N ASN A 24 -8.281 2.061 -3.094 1.00 3.34 N ATOM 379 CA ASN A 24 -9.395 1.114 -3.266 1.00 41.31 C ATOM 380 C ASN A 24 -10.505 1.682 -4.173 1.00 31.52 C ATOM 381 O ASN A 24 -11.331 0.930 -4.702 1.00 71.13 O ATOM 382 CB ASN A 24 -9.979 0.740 -1.896 1.00 42.43 C ATOM 383 CG ASN A 24 -9.014 -0.077 -1.049 1.00 23.12 C ATOM 384 OD1 ASN A 24 -8.225 -0.859 -1.562 1.00 14.10 O ATOM 385 ND2 ASN A 24 -9.068 0.096 0.255 1.00 20.55 N ATOM 0 H ASN A 24 -8.143 2.367 -2.131 1.00 3.34 H new ATOM 0 HA ASN A 24 -8.997 0.224 -3.754 1.00 41.31 H new ATOM 0 HB2 ASN A 24 -10.246 1.650 -1.359 1.00 42.43 H new ATOM 0 HB3 ASN A 24 -10.899 0.173 -2.040 1.00 42.43 H new ATOM 0 HD21 ASN A 24 -8.442 -0.429 0.865 1.00 20.55 H new ATOM 0 HD22 ASN A 24 -9.736 0.755 0.655 1.00 20.55 H new ATOM 392 N GLU A 25 -10.542 3.010 -4.331 1.00 25.03 N ATOM 393 CA GLU A 25 -11.481 3.655 -5.264 1.00 55.41 C ATOM 394 C GLU A 25 -10.952 3.580 -6.700 1.00 13.34 C ATOM 395 O GLU A 25 -11.660 3.176 -7.624 1.00 34.02 O ATOM 396 CB GLU A 25 -11.698 5.137 -4.913 1.00 20.34 C ATOM 397 CG GLU A 25 -12.183 5.396 -3.495 1.00 64.21 C ATOM 398 CD GLU A 25 -12.401 6.877 -3.221 1.00 35.11 C ATOM 399 OE1 GLU A 25 -11.440 7.661 -3.366 1.00 11.33 O ATOM 400 OE2 GLU A 25 -13.537 7.268 -2.872 1.00 12.04 O ATOM 0 H GLU A 25 -9.937 3.659 -3.829 1.00 25.03 H new ATOM 0 HA GLU A 25 -12.427 3.120 -5.179 1.00 55.41 H new ATOM 0 HB2 GLU A 25 -10.760 5.672 -5.064 1.00 20.34 H new ATOM 0 HB3 GLU A 25 -12.421 5.558 -5.611 1.00 20.34 H new ATOM 0 HG2 GLU A 25 -13.115 4.857 -3.328 1.00 64.21 H new ATOM 0 HG3 GLU A 25 -11.455 5.001 -2.786 1.00 64.21 H new ATOM 407 N LYS A 26 -9.698 3.984 -6.867 1.00 40.15 N ATOM 408 CA LYS A 26 -9.073 4.078 -8.185 1.00 22.51 C ATOM 409 C LYS A 26 -8.856 2.695 -8.819 1.00 24.13 C ATOM 410 O LYS A 26 -9.096 2.505 -10.009 1.00 51.45 O ATOM 411 CB LYS A 26 -7.738 4.828 -8.069 1.00 34.12 C ATOM 412 CG LYS A 26 -7.863 6.222 -7.452 1.00 42.31 C ATOM 413 CD LYS A 26 -8.765 7.139 -8.280 1.00 62.10 C ATOM 414 CE LYS A 26 -8.177 7.424 -9.657 1.00 15.13 C ATOM 415 NZ LYS A 26 -9.106 8.219 -10.505 1.00 41.30 N ATOM 0 H LYS A 26 -9.086 4.255 -6.097 1.00 40.15 H new ATOM 0 HA LYS A 26 -9.748 4.629 -8.839 1.00 22.51 H new ATOM 0 HB2 LYS A 26 -7.050 4.235 -7.466 1.00 34.12 H new ATOM 0 HB3 LYS A 26 -7.296 4.919 -9.061 1.00 34.12 H new ATOM 0 HG2 LYS A 26 -8.263 6.136 -6.442 1.00 42.31 H new ATOM 0 HG3 LYS A 26 -6.873 6.670 -7.366 1.00 42.31 H new ATOM 0 HD2 LYS A 26 -9.746 6.677 -8.393 1.00 62.10 H new ATOM 0 HD3 LYS A 26 -8.914 8.078 -7.748 1.00 62.10 H new ATOM 0 HE2 LYS A 26 -7.236 7.963 -9.545 1.00 15.13 H new ATOM 0 HE3 LYS A 26 -7.947 6.482 -10.155 1.00 15.13 H new ATOM 0 HZ1 LYS A 26 -8.668 8.391 -11.433 1.00 41.30 H new ATOM 0 HZ2 LYS A 26 -9.994 7.694 -10.633 1.00 41.30 H new ATOM 0 HZ3 LYS A 26 -9.306 9.129 -10.042 1.00 41.30 H new ATOM 429 N ARG A 27 -8.387 1.738 -8.022 1.00 53.14 N ATOM 430 CA ARG A 27 -8.210 0.353 -8.483 1.00 35.45 C ATOM 431 C ARG A 27 -8.998 -0.624 -7.596 1.00 42.32 C ATOM 432 O ARG A 27 -8.874 -0.606 -6.374 1.00 40.40 O ATOM 433 CB ARG A 27 -6.722 -0.035 -8.493 1.00 43.23 C ATOM 434 CG ARG A 27 -5.885 0.663 -9.567 1.00 70.15 C ATOM 435 CD ARG A 27 -6.420 0.409 -10.979 1.00 65.11 C ATOM 436 NE ARG A 27 -5.342 0.241 -11.954 1.00 30.33 N ATOM 437 CZ ARG A 27 -5.222 0.919 -13.066 1.00 0.13 C ATOM 438 NH1 ARG A 27 -6.033 1.888 -13.354 1.00 42.45 N ATOM 439 NH2 ARG A 27 -4.280 0.620 -13.896 1.00 65.03 N ATOM 0 H ARG A 27 -8.120 1.892 -7.050 1.00 53.14 H new ATOM 0 HA ARG A 27 -8.595 0.291 -9.501 1.00 35.45 H new ATOM 0 HB2 ARG A 27 -6.295 0.191 -7.516 1.00 43.23 H new ATOM 0 HB3 ARG A 27 -6.643 -1.113 -8.634 1.00 43.23 H new ATOM 0 HG2 ARG A 27 -5.872 1.736 -9.374 1.00 70.15 H new ATOM 0 HG3 ARG A 27 -4.854 0.315 -9.504 1.00 70.15 H new ATOM 0 HD2 ARG A 27 -7.046 -0.483 -10.974 1.00 65.11 H new ATOM 0 HD3 ARG A 27 -7.055 1.242 -11.281 1.00 65.11 H new ATOM 0 HE ARG A 27 -4.629 -0.459 -11.751 1.00 30.33 H new ATOM 0 HH11 ARG A 27 -6.783 2.135 -12.708 1.00 42.45 H new ATOM 0 HH12 ARG A 27 -5.922 2.404 -14.227 1.00 42.45 H new ATOM 0 HH21 ARG A 27 -3.635 -0.141 -13.683 1.00 65.03 H new ATOM 0 HH22 ARG A 27 -4.181 1.145 -14.765 1.00 65.03 H new ATOM 453 N ARG A 28 -9.805 -1.480 -8.216 1.00 33.00 N ATOM 454 CA ARG A 28 -10.633 -2.439 -7.475 1.00 72.52 C ATOM 455 C ARG A 28 -9.938 -3.808 -7.340 1.00 34.20 C ATOM 456 O ARG A 28 -9.166 -4.215 -8.211 1.00 41.15 O ATOM 457 CB ARG A 28 -11.992 -2.611 -8.171 1.00 30.43 C ATOM 458 CG ARG A 28 -12.747 -1.304 -8.416 1.00 24.34 C ATOM 459 CD ARG A 28 -13.007 -0.528 -7.126 1.00 71.12 C ATOM 460 NE ARG A 28 -13.936 0.582 -7.336 1.00 65.04 N ATOM 461 CZ ARG A 28 -14.355 1.383 -6.391 1.00 40.23 C ATOM 462 NH1 ARG A 28 -13.844 1.331 -5.201 1.00 43.53 N ATOM 463 NH2 ARG A 28 -15.257 2.268 -6.661 1.00 51.11 N ATOM 0 H ARG A 28 -9.906 -1.533 -9.230 1.00 33.00 H new ATOM 0 HA ARG A 28 -10.783 -2.039 -6.472 1.00 72.52 H new ATOM 0 HB2 ARG A 28 -11.836 -3.111 -9.127 1.00 30.43 H new ATOM 0 HB3 ARG A 28 -12.616 -3.269 -7.566 1.00 30.43 H new ATOM 0 HG2 ARG A 28 -12.174 -0.680 -9.102 1.00 24.34 H new ATOM 0 HG3 ARG A 28 -13.698 -1.523 -8.902 1.00 24.34 H new ATOM 0 HD2 ARG A 28 -13.412 -1.203 -6.372 1.00 71.12 H new ATOM 0 HD3 ARG A 28 -12.064 -0.144 -6.737 1.00 71.12 H new ATOM 0 HE ARG A 28 -14.280 0.742 -8.283 1.00 65.04 H new ATOM 0 HH11 ARG A 28 -13.105 0.659 -4.992 1.00 43.53 H new ATOM 0 HH12 ARG A 28 -14.180 1.962 -4.473 1.00 43.53 H new ATOM 0 HH21 ARG A 28 -15.637 2.338 -7.605 1.00 51.11 H new ATOM 0 HH22 ARG A 28 -15.590 2.897 -5.930 1.00 51.11 H new ATOM 477 N GLY A 29 -10.223 -4.510 -6.242 1.00 63.23 N ATOM 478 CA GLY A 29 -9.654 -5.837 -6.015 1.00 30.30 C ATOM 479 C GLY A 29 -8.159 -5.810 -5.705 1.00 11.42 C ATOM 480 O GLY A 29 -7.350 -6.363 -6.454 1.00 20.32 O ATOM 0 H GLY A 29 -10.842 -4.183 -5.500 1.00 63.23 H new ATOM 0 HA2 GLY A 29 -10.181 -6.314 -5.188 1.00 30.30 H new ATOM 0 HA3 GLY A 29 -9.823 -6.453 -6.898 1.00 30.30 H new ATOM 484 N LEU A 30 -7.791 -5.173 -4.597 1.00 71.51 N ATOM 485 CA LEU A 30 -6.383 -5.046 -4.197 1.00 54.20 C ATOM 486 C LEU A 30 -6.034 -6.022 -3.063 1.00 14.01 C ATOM 487 O LEU A 30 -6.922 -6.596 -2.431 1.00 64.41 O ATOM 488 CB LEU A 30 -6.106 -3.604 -3.757 1.00 42.44 C ATOM 489 CG LEU A 30 -6.511 -2.527 -4.777 1.00 64.51 C ATOM 490 CD1 LEU A 30 -6.195 -1.135 -4.246 1.00 14.32 C ATOM 491 CD2 LEU A 30 -5.822 -2.765 -6.118 1.00 31.42 C ATOM 0 H LEU A 30 -8.449 -4.733 -3.953 1.00 71.51 H new ATOM 0 HA LEU A 30 -5.757 -5.295 -5.054 1.00 54.20 H new ATOM 0 HB2 LEU A 30 -6.635 -3.416 -2.823 1.00 42.44 H new ATOM 0 HB3 LEU A 30 -5.041 -3.502 -3.546 1.00 42.44 H new ATOM 0 HG LEU A 30 -7.588 -2.594 -4.933 1.00 64.51 H new ATOM 0 HD11 LEU A 30 -6.490 -0.389 -4.984 1.00 14.32 H new ATOM 0 HD12 LEU A 30 -6.744 -0.966 -3.319 1.00 14.32 H new ATOM 0 HD13 LEU A 30 -5.125 -1.053 -4.054 1.00 14.32 H new ATOM 0 HD21 LEU A 30 -6.123 -1.991 -6.824 1.00 31.42 H new ATOM 0 HD22 LEU A 30 -4.741 -2.732 -5.983 1.00 31.42 H new ATOM 0 HD23 LEU A 30 -6.109 -3.742 -6.506 1.00 31.42 H new ATOM 503 N LYS A 31 -4.741 -6.213 -2.803 1.00 43.25 N ATOM 504 CA LYS A 31 -4.302 -7.138 -1.747 1.00 4.13 C ATOM 505 C LYS A 31 -3.203 -6.529 -0.863 1.00 12.14 C ATOM 506 O LYS A 31 -2.037 -6.473 -1.254 1.00 11.13 O ATOM 507 CB LYS A 31 -3.815 -8.458 -2.372 1.00 74.20 C ATOM 508 CG LYS A 31 -3.275 -9.470 -1.360 1.00 71.03 C ATOM 509 CD LYS A 31 -3.156 -10.869 -1.965 1.00 63.23 C ATOM 510 CE LYS A 31 -2.183 -10.920 -3.141 1.00 73.44 C ATOM 511 NZ LYS A 31 -0.765 -10.851 -2.703 1.00 71.33 N ATOM 0 H LYS A 31 -3.982 -5.747 -3.301 1.00 43.25 H new ATOM 0 HA LYS A 31 -5.161 -7.335 -1.105 1.00 4.13 H new ATOM 0 HB2 LYS A 31 -4.640 -8.914 -2.920 1.00 74.20 H new ATOM 0 HB3 LYS A 31 -3.034 -8.236 -3.099 1.00 74.20 H new ATOM 0 HG2 LYS A 31 -2.298 -9.143 -1.005 1.00 71.03 H new ATOM 0 HG3 LYS A 31 -3.934 -9.504 -0.493 1.00 71.03 H new ATOM 0 HD2 LYS A 31 -2.826 -11.567 -1.195 1.00 63.23 H new ATOM 0 HD3 LYS A 31 -4.139 -11.202 -2.297 1.00 63.23 H new ATOM 0 HE2 LYS A 31 -2.343 -11.840 -3.702 1.00 73.44 H new ATOM 0 HE3 LYS A 31 -2.392 -10.093 -3.819 1.00 73.44 H new ATOM 0 HZ1 LYS A 31 -0.169 -10.551 -3.501 1.00 71.33 H new ATOM 0 HZ2 LYS A 31 -0.674 -10.165 -1.927 1.00 71.33 H new ATOM 0 HZ3 LYS A 31 -0.457 -11.788 -2.374 1.00 71.33 H new ATOM 525 N TYR A 32 -3.594 -6.058 0.324 1.00 71.53 N ATOM 526 CA TYR A 32 -2.641 -5.567 1.330 1.00 73.43 C ATOM 527 C TYR A 32 -2.131 -6.719 2.208 1.00 42.32 C ATOM 528 O TYR A 32 -2.905 -7.347 2.930 1.00 32.01 O ATOM 529 CB TYR A 32 -3.299 -4.501 2.224 1.00 10.45 C ATOM 530 CG TYR A 32 -3.606 -3.190 1.518 1.00 74.23 C ATOM 531 CD1 TYR A 32 -4.792 -3.011 0.813 1.00 60.35 C ATOM 532 CD2 TYR A 32 -2.712 -2.125 1.575 1.00 52.22 C ATOM 533 CE1 TYR A 32 -5.073 -1.815 0.182 1.00 33.32 C ATOM 534 CE2 TYR A 32 -2.987 -0.925 0.949 1.00 50.03 C ATOM 535 CZ TYR A 32 -4.170 -0.775 0.255 1.00 74.23 C ATOM 536 OH TYR A 32 -4.448 0.420 -0.365 1.00 65.24 O ATOM 0 H TYR A 32 -4.570 -6.005 0.616 1.00 71.53 H new ATOM 0 HA TYR A 32 -1.798 -5.123 0.799 1.00 73.43 H new ATOM 0 HB2 TYR A 32 -4.226 -4.907 2.630 1.00 10.45 H new ATOM 0 HB3 TYR A 32 -2.642 -4.299 3.070 1.00 10.45 H new ATOM 0 HD1 TYR A 32 -5.505 -3.821 0.758 1.00 60.35 H new ATOM 0 HD2 TYR A 32 -1.786 -2.239 2.119 1.00 52.22 H new ATOM 0 HE1 TYR A 32 -5.996 -1.695 -0.366 1.00 33.32 H new ATOM 0 HE2 TYR A 32 -2.281 -0.110 1.002 1.00 50.03 H new ATOM 0 HH TYR A 32 -5.348 0.717 -0.115 1.00 65.24 H new ATOM 546 N GLU A 33 -0.833 -6.999 2.145 1.00 54.25 N ATOM 547 CA GLU A 33 -0.231 -8.068 2.952 1.00 65.10 C ATOM 548 C GLU A 33 0.970 -7.554 3.766 1.00 54.13 C ATOM 549 O GLU A 33 1.508 -6.480 3.496 1.00 51.11 O ATOM 550 CB GLU A 33 0.193 -9.237 2.046 1.00 70.30 C ATOM 551 CG GLU A 33 1.277 -8.874 1.038 1.00 24.32 C ATOM 552 CD GLU A 33 1.454 -9.932 -0.042 1.00 43.24 C ATOM 553 OE1 GLU A 33 2.078 -10.981 0.234 1.00 12.04 O ATOM 554 OE2 GLU A 33 0.962 -9.727 -1.173 1.00 63.25 O ATOM 0 H GLU A 33 -0.173 -6.504 1.545 1.00 54.25 H new ATOM 0 HA GLU A 33 -0.981 -8.419 3.660 1.00 65.10 H new ATOM 0 HB2 GLU A 33 0.550 -10.056 2.670 1.00 70.30 H new ATOM 0 HB3 GLU A 33 -0.682 -9.603 1.508 1.00 70.30 H new ATOM 0 HG2 GLU A 33 1.028 -7.922 0.570 1.00 24.32 H new ATOM 0 HG3 GLU A 33 2.222 -8.734 1.562 1.00 24.32 H new ATOM 561 N LEU A 34 1.385 -8.329 4.763 1.00 1.44 N ATOM 562 CA LEU A 34 2.487 -7.933 5.653 1.00 64.33 C ATOM 563 C LEU A 34 3.834 -8.490 5.160 1.00 24.43 C ATOM 564 O LEU A 34 3.985 -9.701 4.972 1.00 44.14 O ATOM 565 CB LEU A 34 2.208 -8.431 7.082 1.00 45.35 C ATOM 566 CG LEU A 34 3.292 -8.105 8.128 1.00 2.44 C ATOM 567 CD1 LEU A 34 3.385 -6.599 8.382 1.00 15.50 C ATOM 568 CD2 LEU A 34 3.016 -8.858 9.427 1.00 64.44 C ATOM 0 H LEU A 34 0.978 -9.238 4.981 1.00 1.44 H new ATOM 0 HA LEU A 34 2.550 -6.845 5.649 1.00 64.33 H new ATOM 0 HB2 LEU A 34 1.264 -8.002 7.418 1.00 45.35 H new ATOM 0 HB3 LEU A 34 2.074 -9.512 7.050 1.00 45.35 H new ATOM 0 HG LEU A 34 4.254 -8.432 7.733 1.00 2.44 H new ATOM 0 HD11 LEU A 34 4.158 -6.402 9.124 1.00 15.50 H new ATOM 0 HD12 LEU A 34 3.636 -6.088 7.452 1.00 15.50 H new ATOM 0 HD13 LEU A 34 2.427 -6.232 8.750 1.00 15.50 H new ATOM 0 HD21 LEU A 34 3.789 -8.619 10.157 1.00 64.44 H new ATOM 0 HD22 LEU A 34 2.043 -8.563 9.819 1.00 64.44 H new ATOM 0 HD23 LEU A 34 3.019 -9.931 9.233 1.00 64.44 H new ATOM 580 N ILE A 35 4.810 -7.603 4.954 1.00 24.22 N ATOM 581 CA ILE A 35 6.159 -8.009 4.540 1.00 42.32 C ATOM 582 C ILE A 35 7.079 -8.196 5.757 1.00 35.01 C ATOM 583 O ILE A 35 7.862 -9.145 5.816 1.00 61.50 O ATOM 584 CB ILE A 35 6.793 -6.972 3.574 1.00 32.12 C ATOM 585 CG1 ILE A 35 5.911 -6.789 2.330 1.00 42.34 C ATOM 586 CG2 ILE A 35 8.210 -7.388 3.174 1.00 24.24 C ATOM 587 CD1 ILE A 35 5.692 -8.065 1.538 1.00 65.22 C ATOM 0 H ILE A 35 4.693 -6.596 5.067 1.00 24.22 H new ATOM 0 HA ILE A 35 6.057 -8.960 4.018 1.00 42.32 H new ATOM 0 HB ILE A 35 6.859 -6.018 4.096 1.00 32.12 H new ATOM 0 HG12 ILE A 35 4.943 -6.394 2.638 1.00 42.34 H new ATOM 0 HG13 ILE A 35 6.368 -6.043 1.679 1.00 42.34 H new ATOM 0 HG21 ILE A 35 8.630 -6.644 2.497 1.00 24.24 H new ATOM 0 HG22 ILE A 35 8.833 -7.461 4.065 1.00 24.24 H new ATOM 0 HG23 ILE A 35 8.178 -8.356 2.674 1.00 24.24 H new ATOM 0 HD11 ILE A 35 5.060 -7.854 0.676 1.00 65.22 H new ATOM 0 HD12 ILE A 35 6.653 -8.451 1.198 1.00 65.22 H new ATOM 0 HD13 ILE A 35 5.206 -8.807 2.171 1.00 65.22 H new ATOM 599 N SER A 36 6.971 -7.289 6.728 1.00 53.33 N ATOM 600 CA SER A 36 7.801 -7.346 7.943 1.00 34.31 C ATOM 601 C SER A 36 7.267 -6.398 9.024 1.00 42.42 C ATOM 602 O SER A 36 6.650 -5.383 8.715 1.00 71.30 O ATOM 603 CB SER A 36 9.253 -6.962 7.617 1.00 5.30 C ATOM 604 OG SER A 36 10.093 -7.078 8.758 1.00 22.40 O ATOM 0 H SER A 36 6.319 -6.505 6.702 1.00 53.33 H new ATOM 0 HA SER A 36 7.764 -8.369 8.318 1.00 34.31 H new ATOM 0 HB2 SER A 36 9.630 -7.603 6.820 1.00 5.30 H new ATOM 0 HB3 SER A 36 9.284 -5.938 7.244 1.00 5.30 H new ATOM 0 HG SER A 36 11.009 -6.828 8.516 1.00 22.40 H new ATOM 740 N PHE A 46 7.242 -1.221 10.419 1.00 54.24 N ATOM 741 CA PHE A 46 6.191 -2.011 9.758 1.00 0.20 C ATOM 742 C PHE A 46 6.250 -1.838 8.234 1.00 35.05 C ATOM 743 O PHE A 46 6.005 -0.751 7.715 1.00 51.14 O ATOM 744 CB PHE A 46 4.798 -1.614 10.274 1.00 11.11 C ATOM 745 CG PHE A 46 4.546 -2.005 11.710 1.00 75.33 C ATOM 746 CD1 PHE A 46 5.122 -1.294 12.754 1.00 11.21 C ATOM 747 CD2 PHE A 46 3.739 -3.092 12.011 1.00 32.13 C ATOM 748 CE1 PHE A 46 4.896 -1.661 14.067 1.00 1.23 C ATOM 749 CE2 PHE A 46 3.512 -3.463 13.319 1.00 74.21 C ATOM 750 CZ PHE A 46 4.090 -2.746 14.350 1.00 62.22 C ATOM 0 HA PHE A 46 6.368 -3.059 9.998 1.00 0.20 H new ATOM 0 HB2 PHE A 46 4.678 -0.535 10.175 1.00 11.11 H new ATOM 0 HB3 PHE A 46 4.041 -2.079 9.642 1.00 11.11 H new ATOM 0 HD1 PHE A 46 5.753 -0.445 12.538 1.00 11.21 H new ATOM 0 HD2 PHE A 46 3.283 -3.655 11.210 1.00 32.13 H new ATOM 0 HE1 PHE A 46 5.349 -1.100 14.871 1.00 1.23 H new ATOM 0 HE2 PHE A 46 2.883 -4.313 13.538 1.00 74.21 H new ATOM 0 HZ PHE A 46 3.911 -3.034 15.375 1.00 62.22 H new ATOM 760 N VAL A 47 6.577 -2.921 7.530 1.00 61.54 N ATOM 761 CA VAL A 47 6.649 -2.919 6.066 1.00 65.32 C ATOM 762 C VAL A 47 5.447 -3.665 5.465 1.00 33.44 C ATOM 763 O VAL A 47 5.332 -4.887 5.594 1.00 40.22 O ATOM 764 CB VAL A 47 7.954 -3.591 5.563 1.00 41.12 C ATOM 765 CG1 VAL A 47 8.121 -3.403 4.053 1.00 72.12 C ATOM 766 CG2 VAL A 47 9.177 -3.069 6.321 1.00 45.30 C ATOM 0 H VAL A 47 6.799 -3.822 7.954 1.00 61.54 H new ATOM 0 HA VAL A 47 6.638 -1.877 5.745 1.00 65.32 H new ATOM 0 HB VAL A 47 7.874 -4.660 5.762 1.00 41.12 H new ATOM 0 HG11 VAL A 47 9.043 -3.883 3.726 1.00 72.12 H new ATOM 0 HG12 VAL A 47 7.274 -3.853 3.535 1.00 72.12 H new ATOM 0 HG13 VAL A 47 8.165 -2.339 3.821 1.00 72.12 H new ATOM 0 HG21 VAL A 47 10.075 -3.560 5.945 1.00 45.30 H new ATOM 0 HG22 VAL A 47 9.263 -1.992 6.175 1.00 45.30 H new ATOM 0 HG23 VAL A 47 9.065 -3.283 7.384 1.00 45.30 H new ATOM 776 N MET A 48 4.558 -2.928 4.810 1.00 22.01 N ATOM 777 CA MET A 48 3.360 -3.515 4.196 1.00 14.43 C ATOM 778 C MET A 48 3.436 -3.437 2.665 1.00 13.34 C ATOM 779 O MET A 48 3.997 -2.493 2.108 1.00 73.44 O ATOM 780 CB MET A 48 2.103 -2.786 4.694 1.00 31.13 C ATOM 781 CG MET A 48 1.946 -2.793 6.211 1.00 23.53 C ATOM 782 SD MET A 48 1.665 -4.440 6.888 1.00 1.23 S ATOM 783 CE MET A 48 0.044 -4.812 6.225 1.00 63.31 C ATOM 0 H MET A 48 4.639 -1.919 4.687 1.00 22.01 H new ATOM 0 HA MET A 48 3.307 -4.565 4.486 1.00 14.43 H new ATOM 0 HB2 MET A 48 2.132 -1.753 4.346 1.00 31.13 H new ATOM 0 HB3 MET A 48 1.224 -3.249 4.245 1.00 31.13 H new ATOM 0 HG2 MET A 48 2.842 -2.369 6.665 1.00 23.53 H new ATOM 0 HG3 MET A 48 1.113 -2.147 6.487 1.00 23.53 H new ATOM 0 HE1 MET A 48 -0.320 -5.745 6.656 1.00 63.31 H new ATOM 0 HE2 MET A 48 -0.645 -4.004 6.473 1.00 63.31 H new ATOM 0 HE3 MET A 48 0.109 -4.914 5.142 1.00 63.31 H new ATOM 793 N GLU A 49 2.873 -4.436 1.996 1.00 4.43 N ATOM 794 CA GLU A 49 2.832 -4.472 0.531 1.00 52.01 C ATOM 795 C GLU A 49 1.385 -4.524 0.027 1.00 34.11 C ATOM 796 O GLU A 49 0.491 -5.004 0.723 1.00 31.24 O ATOM 797 CB GLU A 49 3.614 -5.686 0.013 1.00 31.34 C ATOM 798 CG GLU A 49 3.638 -5.812 -1.506 1.00 51.25 C ATOM 799 CD GLU A 49 4.515 -6.956 -1.992 1.00 71.21 C ATOM 800 OE1 GLU A 49 4.051 -8.112 -1.993 1.00 43.33 O ATOM 801 OE2 GLU A 49 5.678 -6.703 -2.377 1.00 43.11 O ATOM 0 H GLU A 49 2.434 -5.240 2.445 1.00 4.43 H new ATOM 0 HA GLU A 49 3.294 -3.561 0.152 1.00 52.01 H new ATOM 0 HB2 GLU A 49 4.639 -5.626 0.378 1.00 31.34 H new ATOM 0 HB3 GLU A 49 3.178 -6.592 0.435 1.00 31.34 H new ATOM 0 HG2 GLU A 49 2.621 -5.961 -1.869 1.00 51.25 H new ATOM 0 HG3 GLU A 49 3.997 -4.877 -1.937 1.00 51.25 H new ATOM 808 N VAL A 50 1.161 -4.019 -1.179 1.00 73.42 N ATOM 809 CA VAL A 50 -0.167 -4.046 -1.790 1.00 0.20 C ATOM 810 C VAL A 50 -0.104 -4.414 -3.280 1.00 24.30 C ATOM 811 O VAL A 50 0.602 -3.775 -4.063 1.00 51.45 O ATOM 812 CB VAL A 50 -0.895 -2.687 -1.616 1.00 62.41 C ATOM 813 CG1 VAL A 50 -0.086 -1.536 -2.220 1.00 14.35 C ATOM 814 CG2 VAL A 50 -2.297 -2.745 -2.221 1.00 61.31 C ATOM 0 H VAL A 50 1.881 -3.585 -1.756 1.00 73.42 H new ATOM 0 HA VAL A 50 -0.734 -4.819 -1.271 1.00 0.20 H new ATOM 0 HB VAL A 50 -0.990 -2.495 -0.547 1.00 62.41 H new ATOM 0 HG11 VAL A 50 -0.626 -0.599 -2.080 1.00 14.35 H new ATOM 0 HG12 VAL A 50 0.883 -1.474 -1.725 1.00 14.35 H new ATOM 0 HG13 VAL A 50 0.061 -1.714 -3.285 1.00 14.35 H new ATOM 0 HG21 VAL A 50 -2.791 -1.782 -2.088 1.00 61.31 H new ATOM 0 HG22 VAL A 50 -2.225 -2.973 -3.285 1.00 61.31 H new ATOM 0 HG23 VAL A 50 -2.877 -3.522 -1.722 1.00 61.31 H new ATOM 824 N GLU A 51 -0.824 -5.470 -3.656 1.00 3.34 N ATOM 825 CA GLU A 51 -1.000 -5.825 -5.067 1.00 50.30 C ATOM 826 C GLU A 51 -2.029 -4.895 -5.720 1.00 33.51 C ATOM 827 O GLU A 51 -3.184 -4.826 -5.292 1.00 15.32 O ATOM 828 CB GLU A 51 -1.435 -7.299 -5.202 1.00 31.54 C ATOM 829 CG GLU A 51 -2.072 -7.664 -6.550 1.00 41.54 C ATOM 830 CD GLU A 51 -1.137 -7.556 -7.750 1.00 63.55 C ATOM 831 OE1 GLU A 51 -0.659 -6.448 -8.042 1.00 63.41 O ATOM 832 OE2 GLU A 51 -0.894 -8.587 -8.419 1.00 23.01 O ATOM 0 H GLU A 51 -1.296 -6.096 -3.004 1.00 3.34 H new ATOM 0 HA GLU A 51 -0.047 -5.703 -5.581 1.00 50.30 H new ATOM 0 HB2 GLU A 51 -0.564 -7.935 -5.044 1.00 31.54 H new ATOM 0 HB3 GLU A 51 -2.145 -7.527 -4.407 1.00 31.54 H new ATOM 0 HG2 GLU A 51 -2.450 -8.685 -6.493 1.00 41.54 H new ATOM 0 HG3 GLU A 51 -2.931 -7.015 -6.717 1.00 41.54 H new ATOM 839 N VAL A 52 -1.592 -4.182 -6.752 1.00 31.31 N ATOM 840 CA VAL A 52 -2.428 -3.191 -7.428 1.00 52.23 C ATOM 841 C VAL A 52 -2.394 -3.373 -8.952 1.00 5.23 C ATOM 842 O VAL A 52 -1.418 -3.004 -9.610 1.00 1.43 O ATOM 843 CB VAL A 52 -1.984 -1.743 -7.086 1.00 12.13 C ATOM 844 CG1 VAL A 52 -2.902 -0.718 -7.753 1.00 31.43 C ATOM 845 CG2 VAL A 52 -1.940 -1.527 -5.573 1.00 22.54 C ATOM 0 H VAL A 52 -0.654 -4.272 -7.143 1.00 31.31 H new ATOM 0 HA VAL A 52 -3.445 -3.349 -7.069 1.00 52.23 H new ATOM 0 HB VAL A 52 -0.977 -1.601 -7.477 1.00 12.13 H new ATOM 0 HG11 VAL A 52 -2.570 0.288 -7.498 1.00 31.43 H new ATOM 0 HG12 VAL A 52 -2.868 -0.848 -8.835 1.00 31.43 H new ATOM 0 HG13 VAL A 52 -3.924 -0.862 -7.403 1.00 31.43 H new ATOM 0 HG21 VAL A 52 -1.626 -0.505 -5.360 1.00 22.54 H new ATOM 0 HG22 VAL A 52 -2.931 -1.697 -5.152 1.00 22.54 H new ATOM 0 HG23 VAL A 52 -1.231 -2.224 -5.126 1.00 22.54 H new ATOM 855 N ASP A 53 -3.451 -3.970 -9.501 1.00 71.03 N ATOM 856 CA ASP A 53 -3.619 -4.090 -10.956 1.00 15.13 C ATOM 857 C ASP A 53 -2.513 -4.963 -11.601 1.00 65.13 C ATOM 858 O ASP A 53 -2.339 -4.974 -12.822 1.00 13.30 O ATOM 859 CB ASP A 53 -3.644 -2.675 -11.565 1.00 1.44 C ATOM 860 CG ASP A 53 -4.013 -2.646 -13.036 1.00 1.41 C ATOM 861 OD1 ASP A 53 -5.011 -3.289 -13.420 1.00 64.32 O ATOM 862 OD2 ASP A 53 -3.310 -1.969 -13.813 1.00 14.21 O ATOM 0 H ASP A 53 -4.211 -4.382 -8.959 1.00 71.03 H new ATOM 0 HA ASP A 53 -4.561 -4.597 -11.163 1.00 15.13 H new ATOM 0 HB2 ASP A 53 -4.355 -2.064 -11.010 1.00 1.44 H new ATOM 0 HB3 ASP A 53 -2.663 -2.218 -11.437 1.00 1.44 H new ATOM 867 N GLY A 54 -1.788 -5.720 -10.775 1.00 74.20 N ATOM 868 CA GLY A 54 -0.690 -6.555 -11.266 1.00 1.42 C ATOM 869 C GLY A 54 0.682 -6.015 -10.872 1.00 24.13 C ATOM 870 O GLY A 54 1.711 -6.489 -11.357 1.00 20.22 O ATOM 0 H GLY A 54 -1.940 -5.772 -9.768 1.00 74.20 H new ATOM 0 HA2 GLY A 54 -0.804 -7.566 -10.874 1.00 1.42 H new ATOM 0 HA3 GLY A 54 -0.750 -6.625 -12.352 1.00 1.42 H new ATOM 874 N GLN A 55 0.691 -5.022 -9.984 1.00 55.55 N ATOM 875 CA GLN A 55 1.926 -4.371 -9.528 1.00 43.25 C ATOM 876 C GLN A 55 1.936 -4.242 -7.994 1.00 41.34 C ATOM 877 O GLN A 55 1.100 -3.544 -7.419 1.00 61.25 O ATOM 878 CB GLN A 55 2.041 -2.980 -10.176 1.00 51.22 C ATOM 879 CG GLN A 55 2.108 -3.012 -11.703 1.00 54.34 C ATOM 880 CD GLN A 55 1.809 -1.664 -12.338 1.00 62.22 C ATOM 881 OE1 GLN A 55 2.698 -0.844 -12.555 1.00 23.02 O ATOM 882 NE2 GLN A 55 0.549 -1.423 -12.641 1.00 71.53 N ATOM 0 H GLN A 55 -0.155 -4.644 -9.558 1.00 55.55 H new ATOM 0 HA GLN A 55 2.778 -4.982 -9.825 1.00 43.25 H new ATOM 0 HB2 GLN A 55 1.186 -2.377 -9.872 1.00 51.22 H new ATOM 0 HB3 GLN A 55 2.933 -2.484 -9.793 1.00 51.22 H new ATOM 0 HG2 GLN A 55 3.101 -3.341 -12.011 1.00 54.34 H new ATOM 0 HG3 GLN A 55 1.398 -3.749 -12.077 1.00 54.34 H new ATOM 0 HE21 GLN A 55 -0.165 -2.125 -12.448 1.00 71.53 H new ATOM 0 HE22 GLN A 55 0.288 -0.534 -13.069 1.00 71.53 H new ATOM 891 N LYS A 56 2.874 -4.925 -7.330 1.00 10.42 N ATOM 892 CA LYS A 56 2.958 -4.890 -5.860 1.00 52.43 C ATOM 893 C LYS A 56 3.894 -3.774 -5.372 1.00 32.22 C ATOM 894 O LYS A 56 5.080 -3.753 -5.711 1.00 0.13 O ATOM 895 CB LYS A 56 3.449 -6.235 -5.292 1.00 54.13 C ATOM 896 CG LYS A 56 2.492 -7.409 -5.479 1.00 4.44 C ATOM 897 CD LYS A 56 2.436 -7.882 -6.924 1.00 50.35 C ATOM 898 CE LYS A 56 1.813 -9.268 -7.037 1.00 42.03 C ATOM 899 NZ LYS A 56 1.598 -9.663 -8.452 1.00 3.24 N ATOM 0 H LYS A 56 3.582 -5.505 -7.780 1.00 10.42 H new ATOM 0 HA LYS A 56 1.949 -4.693 -5.499 1.00 52.43 H new ATOM 0 HB2 LYS A 56 4.400 -6.484 -5.763 1.00 54.13 H new ATOM 0 HB3 LYS A 56 3.643 -6.112 -4.227 1.00 54.13 H new ATOM 0 HG2 LYS A 56 2.804 -8.235 -4.840 1.00 4.44 H new ATOM 0 HG3 LYS A 56 1.493 -7.116 -5.156 1.00 4.44 H new ATOM 0 HD2 LYS A 56 1.858 -7.173 -7.517 1.00 50.35 H new ATOM 0 HD3 LYS A 56 3.443 -7.900 -7.341 1.00 50.35 H new ATOM 0 HE2 LYS A 56 2.460 -9.998 -6.550 1.00 42.03 H new ATOM 0 HE3 LYS A 56 0.861 -9.283 -6.507 1.00 42.03 H new ATOM 0 HZ1 LYS A 56 1.518 -10.698 -8.515 1.00 3.24 H new ATOM 0 HZ2 LYS A 56 0.723 -9.226 -8.805 1.00 3.24 H new ATOM 0 HZ3 LYS A 56 2.402 -9.342 -9.028 1.00 3.24 H new ATOM 913 N PHE A 57 3.361 -2.866 -4.555 1.00 64.51 N ATOM 914 CA PHE A 57 4.149 -1.755 -3.991 1.00 10.52 C ATOM 915 C PHE A 57 4.295 -1.890 -2.462 1.00 1.03 C ATOM 916 O PHE A 57 3.373 -2.342 -1.784 1.00 43.15 O ATOM 917 CB PHE A 57 3.487 -0.415 -4.334 1.00 32.22 C ATOM 918 CG PHE A 57 3.357 -0.165 -5.818 1.00 31.12 C ATOM 919 CD1 PHE A 57 4.389 0.431 -6.528 1.00 10.23 C ATOM 920 CD2 PHE A 57 2.203 -0.526 -6.501 1.00 32.14 C ATOM 921 CE1 PHE A 57 4.274 0.660 -7.887 1.00 54.42 C ATOM 922 CE2 PHE A 57 2.083 -0.298 -7.858 1.00 53.22 C ATOM 923 CZ PHE A 57 3.119 0.296 -8.551 1.00 64.22 C ATOM 0 H PHE A 57 2.383 -2.873 -4.264 1.00 64.51 H new ATOM 0 HA PHE A 57 5.145 -1.792 -4.432 1.00 10.52 H new ATOM 0 HB2 PHE A 57 2.496 -0.383 -3.881 1.00 32.22 H new ATOM 0 HB3 PHE A 57 4.068 0.392 -3.888 1.00 32.22 H new ATOM 0 HD1 PHE A 57 5.293 0.720 -6.013 1.00 10.23 H new ATOM 0 HD2 PHE A 57 1.389 -0.991 -5.964 1.00 32.14 H new ATOM 0 HE1 PHE A 57 5.086 1.123 -8.428 1.00 54.42 H new ATOM 0 HE2 PHE A 57 1.180 -0.584 -8.376 1.00 53.22 H new ATOM 0 HZ PHE A 57 3.026 0.476 -9.612 1.00 64.22 H new ATOM 933 N GLN A 58 5.457 -1.490 -1.928 1.00 32.51 N ATOM 934 CA GLN A 58 5.738 -1.606 -0.484 1.00 52.32 C ATOM 935 C GLN A 58 5.921 -0.237 0.195 1.00 71.43 C ATOM 936 O GLN A 58 6.413 0.717 -0.411 1.00 54.21 O ATOM 937 CB GLN A 58 6.995 -2.459 -0.250 1.00 32.32 C ATOM 938 CG GLN A 58 6.787 -3.951 -0.489 1.00 63.22 C ATOM 939 CD GLN A 58 8.056 -4.765 -0.297 1.00 51.13 C ATOM 940 OE1 GLN A 58 8.942 -4.396 0.468 1.00 71.52 O ATOM 941 NE2 GLN A 58 8.143 -5.891 -0.971 1.00 42.23 N ATOM 0 H GLN A 58 6.219 -1.083 -2.471 1.00 32.51 H new ATOM 0 HA GLN A 58 4.869 -2.087 -0.035 1.00 52.32 H new ATOM 0 HB2 GLN A 58 7.790 -2.104 -0.906 1.00 32.32 H new ATOM 0 HB3 GLN A 58 7.337 -2.310 0.774 1.00 32.32 H new ATOM 0 HG2 GLN A 58 6.019 -4.319 0.192 1.00 63.22 H new ATOM 0 HG3 GLN A 58 6.414 -4.103 -1.502 1.00 63.22 H new ATOM 0 HE21 GLN A 58 7.389 -6.169 -1.599 1.00 42.23 H new ATOM 0 HE22 GLN A 58 8.965 -6.486 -0.866 1.00 42.23 H new ATOM 950 N GLY A 59 5.534 -0.161 1.470 1.00 62.43 N ATOM 951 CA GLY A 59 5.712 1.058 2.256 1.00 72.41 C ATOM 952 C GLY A 59 5.900 0.770 3.747 1.00 33.34 C ATOM 953 O GLY A 59 5.308 -0.170 4.282 1.00 75.31 O ATOM 0 H GLY A 59 5.096 -0.929 1.978 1.00 62.43 H new ATOM 0 HA2 GLY A 59 6.578 1.604 1.883 1.00 72.41 H new ATOM 0 HA3 GLY A 59 4.845 1.704 2.120 1.00 72.41 H new ATOM 957 N ALA A 60 6.720 1.577 4.422 1.00 23.22 N ATOM 958 CA ALA A 60 7.017 1.370 5.848 1.00 32.42 C ATOM 959 C ALA A 60 6.527 2.538 6.720 1.00 2.14 C ATOM 960 O ALA A 60 6.739 3.706 6.385 1.00 3.42 O ATOM 961 CB ALA A 60 8.517 1.156 6.043 1.00 14.21 C ATOM 0 H ALA A 60 7.192 2.381 4.008 1.00 23.22 H new ATOM 0 HA ALA A 60 6.477 0.480 6.170 1.00 32.42 H new ATOM 0 HB1 ALA A 60 8.728 1.004 7.101 1.00 14.21 H new ATOM 0 HB2 ALA A 60 8.836 0.279 5.479 1.00 14.21 H new ATOM 0 HB3 ALA A 60 9.059 2.032 5.687 1.00 14.21 H new ATOM 967 N GLY A 61 5.887 2.216 7.846 1.00 23.52 N ATOM 968 CA GLY A 61 5.364 3.248 8.745 1.00 0.13 C ATOM 969 C GLY A 61 5.462 2.877 10.225 1.00 43.42 C ATOM 970 O GLY A 61 5.844 1.757 10.570 1.00 41.33 O ATOM 0 H GLY A 61 5.719 1.259 8.155 1.00 23.52 H new ATOM 0 HA2 GLY A 61 5.909 4.176 8.575 1.00 0.13 H new ATOM 0 HA3 GLY A 61 4.321 3.441 8.496 1.00 0.13 H new ATOM 974 N SER A 62 5.104 3.827 11.099 1.00 73.23 N ATOM 975 CA SER A 62 5.162 3.625 12.561 1.00 0.40 C ATOM 976 C SER A 62 4.222 2.505 13.022 1.00 24.44 C ATOM 977 O SER A 62 4.578 1.689 13.873 1.00 3.51 O ATOM 978 CB SER A 62 4.790 4.919 13.295 1.00 5.43 C ATOM 979 OG SER A 62 3.456 5.316 12.996 1.00 54.02 O ATOM 0 H SER A 62 4.769 4.749 10.821 1.00 73.23 H new ATOM 0 HA SER A 62 6.186 3.339 12.802 1.00 0.40 H new ATOM 0 HB2 SER A 62 4.897 4.774 14.370 1.00 5.43 H new ATOM 0 HB3 SER A 62 5.481 5.713 13.011 1.00 5.43 H new ATOM 0 HG SER A 62 3.245 6.142 13.478 1.00 54.02 H new ATOM 985 N ASN A 63 3.010 2.487 12.481 1.00 1.31 N ATOM 986 CA ASN A 63 2.045 1.430 12.786 1.00 3.32 C ATOM 987 C ASN A 63 1.544 0.759 11.502 1.00 13.14 C ATOM 988 O ASN A 63 1.578 1.357 10.427 1.00 32.02 O ATOM 989 CB ASN A 63 0.873 1.981 13.610 1.00 20.52 C ATOM 990 CG ASN A 63 0.183 3.157 12.947 1.00 2.44 C ATOM 991 OD1 ASN A 63 -0.763 2.993 12.182 1.00 1.12 O ATOM 992 ND2 ASN A 63 0.659 4.353 13.228 1.00 64.43 N ATOM 0 H ASN A 63 2.669 3.192 11.828 1.00 1.31 H new ATOM 0 HA ASN A 63 2.552 0.673 13.385 1.00 3.32 H new ATOM 0 HB2 ASN A 63 0.146 1.186 13.774 1.00 20.52 H new ATOM 0 HB3 ASN A 63 1.238 2.287 14.591 1.00 20.52 H new ATOM 0 HD21 ASN A 63 0.240 5.181 12.805 1.00 64.43 H new ATOM 0 HD22 ASN A 63 1.447 4.451 13.869 1.00 64.43 H new ATOM 999 N LYS A 64 1.079 -0.482 11.635 1.00 2.55 N ATOM 1000 CA LYS A 64 0.628 -1.300 10.496 1.00 54.20 C ATOM 1001 C LYS A 64 -0.323 -0.524 9.561 1.00 51.35 C ATOM 1002 O LYS A 64 -0.216 -0.610 8.337 1.00 73.14 O ATOM 1003 CB LYS A 64 -0.071 -2.560 11.031 1.00 53.15 C ATOM 1004 CG LYS A 64 -0.238 -3.676 10.004 1.00 22.02 C ATOM 1005 CD LYS A 64 -1.127 -4.799 10.541 1.00 3.43 C ATOM 1006 CE LYS A 64 -0.602 -5.379 11.855 1.00 21.41 C ATOM 1007 NZ LYS A 64 0.667 -6.134 11.675 1.00 4.40 N ATOM 0 H LYS A 64 1.002 -0.955 12.535 1.00 2.55 H new ATOM 0 HA LYS A 64 1.503 -1.573 9.906 1.00 54.20 H new ATOM 0 HB2 LYS A 64 0.499 -2.944 11.877 1.00 53.15 H new ATOM 0 HB3 LYS A 64 -1.055 -2.281 11.409 1.00 53.15 H new ATOM 0 HG2 LYS A 64 -0.673 -3.270 9.091 1.00 22.02 H new ATOM 0 HG3 LYS A 64 0.740 -4.079 9.739 1.00 22.02 H new ATOM 0 HD2 LYS A 64 -2.137 -4.418 10.693 1.00 3.43 H new ATOM 0 HD3 LYS A 64 -1.194 -5.593 9.797 1.00 3.43 H new ATOM 0 HE2 LYS A 64 -0.442 -4.570 12.568 1.00 21.41 H new ATOM 0 HE3 LYS A 64 -1.356 -6.038 12.285 1.00 21.41 H new ATOM 0 HZ1 LYS A 64 0.982 -6.507 12.593 1.00 4.40 H new ATOM 0 HZ2 LYS A 64 0.511 -6.923 11.016 1.00 4.40 H new ATOM 0 HZ3 LYS A 64 1.396 -5.500 11.290 1.00 4.40 H new ATOM 1021 N LYS A 65 -1.239 0.242 10.153 1.00 11.34 N ATOM 1022 CA LYS A 65 -2.211 1.037 9.387 1.00 31.12 C ATOM 1023 C LYS A 65 -1.525 2.139 8.556 1.00 44.41 C ATOM 1024 O LYS A 65 -1.800 2.292 7.362 1.00 53.51 O ATOM 1025 CB LYS A 65 -3.243 1.654 10.343 1.00 74.13 C ATOM 1026 CG LYS A 65 -4.068 0.617 11.100 1.00 71.43 C ATOM 1027 CD LYS A 65 -4.956 1.258 12.165 1.00 73.21 C ATOM 1028 CE LYS A 65 -4.134 1.917 13.267 1.00 73.40 C ATOM 1029 NZ LYS A 65 -4.996 2.524 14.315 1.00 20.44 N ATOM 0 H LYS A 65 -1.332 0.332 11.165 1.00 11.34 H new ATOM 0 HA LYS A 65 -2.714 0.369 8.687 1.00 31.12 H new ATOM 0 HB2 LYS A 65 -2.726 2.290 11.061 1.00 74.13 H new ATOM 0 HB3 LYS A 65 -3.915 2.296 9.774 1.00 74.13 H new ATOM 0 HG2 LYS A 65 -4.689 0.063 10.396 1.00 71.43 H new ATOM 0 HG3 LYS A 65 -3.400 -0.104 11.571 1.00 71.43 H new ATOM 0 HD2 LYS A 65 -5.602 2.002 11.699 1.00 73.21 H new ATOM 0 HD3 LYS A 65 -5.606 0.499 12.601 1.00 73.21 H new ATOM 0 HE2 LYS A 65 -3.477 1.176 13.722 1.00 73.40 H new ATOM 0 HE3 LYS A 65 -3.495 2.686 12.833 1.00 73.40 H new ATOM 0 HZ1 LYS A 65 -4.399 2.961 15.045 1.00 20.44 H new ATOM 0 HZ2 LYS A 65 -5.605 3.249 13.886 1.00 20.44 H new ATOM 0 HZ3 LYS A 65 -5.588 1.786 14.748 1.00 20.44 H new ATOM 1043 N VAL A 66 -0.640 2.908 9.187 1.00 41.42 N ATOM 1044 CA VAL A 66 0.109 3.959 8.484 1.00 4.15 C ATOM 1045 C VAL A 66 1.091 3.357 7.460 1.00 51.10 C ATOM 1046 O VAL A 66 1.349 3.943 6.407 1.00 62.41 O ATOM 1047 CB VAL A 66 0.870 4.877 9.478 1.00 20.12 C ATOM 1048 CG1 VAL A 66 1.750 5.881 8.739 1.00 64.43 C ATOM 1049 CG2 VAL A 66 -0.112 5.602 10.397 1.00 21.43 C ATOM 0 H VAL A 66 -0.421 2.827 10.180 1.00 41.42 H new ATOM 0 HA VAL A 66 -0.620 4.566 7.948 1.00 4.15 H new ATOM 0 HB VAL A 66 1.518 4.247 10.087 1.00 20.12 H new ATOM 0 HG11 VAL A 66 2.270 6.510 9.462 1.00 64.43 H new ATOM 0 HG12 VAL A 66 2.480 5.347 8.131 1.00 64.43 H new ATOM 0 HG13 VAL A 66 1.129 6.505 8.096 1.00 64.43 H new ATOM 0 HG21 VAL A 66 0.439 6.241 11.087 1.00 21.43 H new ATOM 0 HG22 VAL A 66 -0.788 6.213 9.798 1.00 21.43 H new ATOM 0 HG23 VAL A 66 -0.689 4.870 10.962 1.00 21.43 H new ATOM 1059 N ALA A 67 1.622 2.178 7.767 1.00 34.25 N ATOM 1060 CA ALA A 67 2.486 1.454 6.833 1.00 32.34 C ATOM 1061 C ALA A 67 1.718 1.101 5.550 1.00 31.45 C ATOM 1062 O ALA A 67 2.217 1.294 4.440 1.00 32.54 O ATOM 1063 CB ALA A 67 3.038 0.201 7.497 1.00 31.33 C ATOM 0 H ALA A 67 1.471 1.701 8.656 1.00 34.25 H new ATOM 0 HA ALA A 67 3.322 2.096 6.558 1.00 32.34 H new ATOM 0 HB1 ALA A 67 3.679 -0.331 6.794 1.00 31.33 H new ATOM 0 HB2 ALA A 67 3.617 0.481 8.377 1.00 31.33 H new ATOM 0 HB3 ALA A 67 2.213 -0.446 7.796 1.00 31.33 H new ATOM 1069 N LYS A 68 0.492 0.594 5.715 1.00 14.33 N ATOM 1070 CA LYS A 68 -0.411 0.353 4.582 1.00 35.43 C ATOM 1071 C LYS A 68 -0.661 1.647 3.795 1.00 52.03 C ATOM 1072 O LYS A 68 -0.788 1.629 2.572 1.00 43.21 O ATOM 1073 CB LYS A 68 -1.749 -0.214 5.073 1.00 74.40 C ATOM 1074 CG LYS A 68 -1.651 -1.607 5.686 1.00 54.31 C ATOM 1075 CD LYS A 68 -2.975 -2.045 6.306 1.00 45.04 C ATOM 1076 CE LYS A 68 -4.112 -2.029 5.291 1.00 71.34 C ATOM 1077 NZ LYS A 68 -5.420 -2.351 5.917 1.00 13.31 N ATOM 0 H LYS A 68 0.101 0.342 6.623 1.00 14.33 H new ATOM 0 HA LYS A 68 0.067 -0.372 3.924 1.00 35.43 H new ATOM 0 HB2 LYS A 68 -2.170 0.467 5.813 1.00 74.40 H new ATOM 0 HB3 LYS A 68 -2.446 -0.246 4.236 1.00 74.40 H new ATOM 0 HG2 LYS A 68 -1.354 -2.322 4.919 1.00 54.31 H new ATOM 0 HG3 LYS A 68 -0.872 -1.615 6.448 1.00 54.31 H new ATOM 0 HD2 LYS A 68 -2.869 -3.049 6.716 1.00 45.04 H new ATOM 0 HD3 LYS A 68 -3.222 -1.385 7.138 1.00 45.04 H new ATOM 0 HE2 LYS A 68 -4.166 -1.046 4.823 1.00 71.34 H new ATOM 0 HE3 LYS A 68 -3.902 -2.748 4.499 1.00 71.34 H new ATOM 0 HZ1 LYS A 68 -6.166 -2.329 5.193 1.00 13.31 H new ATOM 0 HZ2 LYS A 68 -5.377 -3.299 6.342 1.00 13.31 H new ATOM 0 HZ3 LYS A 68 -5.634 -1.650 6.655 1.00 13.31 H new ATOM 1091 N ALA A 69 -0.742 2.767 4.514 1.00 50.22 N ATOM 1092 CA ALA A 69 -0.909 4.084 3.890 1.00 3.41 C ATOM 1093 C ALA A 69 0.266 4.423 2.957 1.00 13.32 C ATOM 1094 O ALA A 69 0.065 4.945 1.859 1.00 43.04 O ATOM 1095 CB ALA A 69 -1.075 5.158 4.961 1.00 13.32 C ATOM 0 H ALA A 69 -0.695 2.790 5.533 1.00 50.22 H new ATOM 0 HA ALA A 69 -1.811 4.053 3.279 1.00 3.41 H new ATOM 0 HB1 ALA A 69 -1.198 6.131 4.485 1.00 13.32 H new ATOM 0 HB2 ALA A 69 -1.954 4.936 5.566 1.00 13.32 H new ATOM 0 HB3 ALA A 69 -0.191 5.175 5.599 1.00 13.32 H new ATOM 1101 N TYR A 70 1.490 4.126 3.395 1.00 32.10 N ATOM 1102 CA TYR A 70 2.679 4.320 2.551 1.00 44.52 C ATOM 1103 C TYR A 70 2.676 3.368 1.348 1.00 54.23 C ATOM 1104 O TYR A 70 3.030 3.763 0.236 1.00 40.41 O ATOM 1105 CB TYR A 70 3.966 4.132 3.366 1.00 24.14 C ATOM 1106 CG TYR A 70 4.276 5.295 4.287 1.00 0.44 C ATOM 1107 CD1 TYR A 70 4.806 6.478 3.782 1.00 45.34 C ATOM 1108 CD2 TYR A 70 4.029 5.217 5.653 1.00 12.40 C ATOM 1109 CE1 TYR A 70 5.087 7.543 4.612 1.00 13.51 C ATOM 1110 CE2 TYR A 70 4.308 6.279 6.486 1.00 52.23 C ATOM 1111 CZ TYR A 70 4.832 7.439 5.962 1.00 22.21 C ATOM 1112 OH TYR A 70 5.103 8.500 6.792 1.00 14.34 O ATOM 0 H TYR A 70 1.688 3.752 4.323 1.00 32.10 H new ATOM 0 HA TYR A 70 2.646 5.343 2.176 1.00 44.52 H new ATOM 0 HB2 TYR A 70 3.880 3.222 3.960 1.00 24.14 H new ATOM 0 HB3 TYR A 70 4.802 3.989 2.681 1.00 24.14 H new ATOM 0 HD1 TYR A 70 5.000 6.564 2.723 1.00 45.34 H new ATOM 0 HD2 TYR A 70 3.612 4.311 6.067 1.00 12.40 H new ATOM 0 HE1 TYR A 70 5.504 8.453 4.206 1.00 13.51 H new ATOM 0 HE2 TYR A 70 4.116 6.201 7.546 1.00 52.23 H new ATOM 0 HH TYR A 70 4.865 8.264 7.713 1.00 14.34 H new ATOM 1122 N ALA A 71 2.287 2.114 1.577 1.00 5.12 N ATOM 1123 CA ALA A 71 2.151 1.136 0.491 1.00 33.14 C ATOM 1124 C ALA A 71 1.135 1.617 -0.557 1.00 10.14 C ATOM 1125 O ALA A 71 1.372 1.528 -1.761 1.00 13.24 O ATOM 1126 CB ALA A 71 1.745 -0.225 1.050 1.00 51.02 C ATOM 0 H ALA A 71 2.060 1.749 2.502 1.00 5.12 H new ATOM 0 HA ALA A 71 3.118 1.034 -0.001 1.00 33.14 H new ATOM 0 HB1 ALA A 71 1.648 -0.940 0.233 1.00 51.02 H new ATOM 0 HB2 ALA A 71 2.506 -0.573 1.748 1.00 51.02 H new ATOM 0 HB3 ALA A 71 0.791 -0.135 1.569 1.00 51.02 H new ATOM 1132 N ALA A 72 0.008 2.141 -0.081 1.00 35.03 N ATOM 1133 CA ALA A 72 -1.020 2.705 -0.961 1.00 51.21 C ATOM 1134 C ALA A 72 -0.496 3.931 -1.720 1.00 33.41 C ATOM 1135 O ALA A 72 -0.688 4.054 -2.931 1.00 14.31 O ATOM 1136 CB ALA A 72 -2.260 3.068 -0.154 1.00 20.33 C ATOM 0 H ALA A 72 -0.220 2.188 0.912 1.00 35.03 H new ATOM 0 HA ALA A 72 -1.286 1.947 -1.698 1.00 51.21 H new ATOM 0 HB1 ALA A 72 -3.017 3.486 -0.818 1.00 20.33 H new ATOM 0 HB2 ALA A 72 -2.655 2.174 0.329 1.00 20.33 H new ATOM 0 HB3 ALA A 72 -1.997 3.804 0.606 1.00 20.33 H new ATOM 1142 N LEU A 73 0.173 4.834 -1.004 1.00 3.15 N ATOM 1143 CA LEU A 73 0.784 6.017 -1.623 1.00 1.34 C ATOM 1144 C LEU A 73 1.852 5.629 -2.660 1.00 13.44 C ATOM 1145 O LEU A 73 2.018 6.308 -3.670 1.00 62.43 O ATOM 1146 CB LEU A 73 1.386 6.941 -0.550 1.00 1.41 C ATOM 1147 CG LEU A 73 0.368 7.807 0.208 1.00 63.34 C ATOM 1148 CD1 LEU A 73 1.044 8.599 1.325 1.00 11.42 C ATOM 1149 CD2 LEU A 73 -0.354 8.747 -0.754 1.00 53.15 C ATOM 0 H LEU A 73 0.307 4.772 0.005 1.00 3.15 H new ATOM 0 HA LEU A 73 -0.005 6.556 -2.147 1.00 1.34 H new ATOM 0 HB2 LEU A 73 1.928 6.330 0.171 1.00 1.41 H new ATOM 0 HB3 LEU A 73 2.116 7.597 -1.025 1.00 1.41 H new ATOM 0 HG LEU A 73 -0.367 7.143 0.664 1.00 63.34 H new ATOM 0 HD11 LEU A 73 0.300 9.203 1.845 1.00 11.42 H new ATOM 0 HD12 LEU A 73 1.508 7.910 2.030 1.00 11.42 H new ATOM 0 HD13 LEU A 73 1.807 9.251 0.899 1.00 11.42 H new ATOM 0 HD21 LEU A 73 -1.071 9.353 -0.201 1.00 53.15 H new ATOM 0 HD22 LEU A 73 0.372 9.398 -1.240 1.00 53.15 H new ATOM 0 HD23 LEU A 73 -0.879 8.162 -1.509 1.00 53.15 H new ATOM 1161 N ALA A 74 2.562 4.529 -2.416 1.00 23.23 N ATOM 1162 CA ALA A 74 3.550 4.021 -3.377 1.00 4.21 C ATOM 1163 C ALA A 74 2.880 3.641 -4.707 1.00 55.12 C ATOM 1164 O ALA A 74 3.456 3.809 -5.782 1.00 44.35 O ATOM 1165 CB ALA A 74 4.295 2.828 -2.787 1.00 30.31 C ATOM 0 H ALA A 74 2.475 3.972 -1.566 1.00 23.23 H new ATOM 0 HA ALA A 74 4.269 4.814 -3.581 1.00 4.21 H new ATOM 0 HB1 ALA A 74 5.024 2.461 -3.509 1.00 30.31 H new ATOM 0 HB2 ALA A 74 4.809 3.134 -1.876 1.00 30.31 H new ATOM 0 HB3 ALA A 74 3.585 2.035 -2.554 1.00 30.31 H new ATOM 1171 N ALA A 75 1.653 3.128 -4.621 1.00 63.23 N ATOM 1172 CA ALA A 75 0.864 2.801 -5.810 1.00 23.12 C ATOM 1173 C ALA A 75 0.270 4.065 -6.453 1.00 44.22 C ATOM 1174 O ALA A 75 0.332 4.243 -7.670 1.00 42.25 O ATOM 1175 CB ALA A 75 -0.246 1.820 -5.451 1.00 42.33 C ATOM 0 H ALA A 75 1.182 2.929 -3.738 1.00 63.23 H new ATOM 0 HA ALA A 75 1.529 2.336 -6.538 1.00 23.12 H new ATOM 0 HB1 ALA A 75 -0.826 1.584 -6.343 1.00 42.33 H new ATOM 0 HB2 ALA A 75 0.192 0.906 -5.051 1.00 42.33 H new ATOM 0 HB3 ALA A 75 -0.899 2.268 -4.702 1.00 42.33 H new ATOM 1181 N LEU A 76 -0.303 4.942 -5.625 1.00 35.40 N ATOM 1182 CA LEU A 76 -0.897 6.199 -6.101 1.00 41.42 C ATOM 1183 C LEU A 76 0.129 7.072 -6.841 1.00 31.42 C ATOM 1184 O LEU A 76 -0.064 7.418 -8.000 1.00 62.32 O ATOM 1185 CB LEU A 76 -1.500 6.987 -4.926 1.00 12.21 C ATOM 1186 CG LEU A 76 -2.733 6.348 -4.262 1.00 61.21 C ATOM 1187 CD1 LEU A 76 -3.166 7.151 -3.035 1.00 21.02 C ATOM 1188 CD2 LEU A 76 -3.885 6.230 -5.262 1.00 43.43 C ATOM 0 H LEU A 76 -0.369 4.806 -4.616 1.00 35.40 H new ATOM 0 HA LEU A 76 -1.687 5.938 -6.806 1.00 41.42 H new ATOM 0 HB2 LEU A 76 -0.729 7.121 -4.167 1.00 12.21 H new ATOM 0 HB3 LEU A 76 -1.774 7.981 -5.280 1.00 12.21 H new ATOM 0 HG LEU A 76 -2.460 5.345 -3.934 1.00 61.21 H new ATOM 0 HD11 LEU A 76 -4.039 6.681 -2.582 1.00 21.02 H new ATOM 0 HD12 LEU A 76 -2.351 7.177 -2.311 1.00 21.02 H new ATOM 0 HD13 LEU A 76 -3.417 8.168 -3.336 1.00 21.02 H new ATOM 0 HD21 LEU A 76 -4.747 5.776 -4.773 1.00 43.43 H new ATOM 0 HD22 LEU A 76 -4.155 7.222 -5.625 1.00 43.43 H new ATOM 0 HD23 LEU A 76 -3.575 5.608 -6.102 1.00 43.43 H new ATOM 1200 N GLU A 77 1.233 7.390 -6.174 1.00 12.31 N ATOM 1201 CA GLU A 77 2.269 8.270 -6.736 1.00 64.54 C ATOM 1202 C GLU A 77 2.931 7.684 -8.001 1.00 24.14 C ATOM 1203 O GLU A 77 3.641 8.391 -8.720 1.00 45.04 O ATOM 1204 CB GLU A 77 3.338 8.562 -5.673 1.00 23.12 C ATOM 1205 CG GLU A 77 2.805 9.281 -4.434 1.00 24.34 C ATOM 1206 CD GLU A 77 2.311 10.690 -4.731 1.00 23.30 C ATOM 1207 OE1 GLU A 77 3.159 11.596 -4.901 1.00 42.55 O ATOM 1208 OE2 GLU A 77 1.080 10.907 -4.783 1.00 45.32 O ATOM 0 H GLU A 77 1.441 7.051 -5.235 1.00 12.31 H new ATOM 0 HA GLU A 77 1.775 9.195 -7.035 1.00 64.54 H new ATOM 0 HB2 GLU A 77 3.796 7.622 -5.366 1.00 23.12 H new ATOM 0 HB3 GLU A 77 4.125 9.168 -6.121 1.00 23.12 H new ATOM 0 HG2 GLU A 77 1.989 8.699 -4.005 1.00 24.34 H new ATOM 0 HG3 GLU A 77 3.592 9.329 -3.682 1.00 24.34 H new ATOM 1215 N LYS A 78 2.707 6.394 -8.265 1.00 75.34 N ATOM 1216 CA LYS A 78 3.308 5.725 -9.430 1.00 60.14 C ATOM 1217 C LYS A 78 2.283 5.548 -10.575 1.00 43.02 C ATOM 1218 O LYS A 78 2.544 5.921 -11.719 1.00 62.43 O ATOM 1219 CB LYS A 78 3.897 4.362 -9.000 1.00 64.45 C ATOM 1220 CG LYS A 78 4.914 3.760 -9.982 1.00 40.44 C ATOM 1221 CD LYS A 78 4.253 3.075 -11.177 1.00 35.34 C ATOM 1222 CE LYS A 78 5.282 2.593 -12.196 1.00 20.51 C ATOM 1223 NZ LYS A 78 6.225 1.598 -11.619 1.00 70.14 N ATOM 0 H LYS A 78 2.117 5.791 -7.692 1.00 75.34 H new ATOM 0 HA LYS A 78 4.111 6.355 -9.813 1.00 60.14 H new ATOM 0 HB2 LYS A 78 4.377 4.480 -8.029 1.00 64.45 H new ATOM 0 HB3 LYS A 78 3.079 3.654 -8.867 1.00 64.45 H new ATOM 0 HG2 LYS A 78 5.575 4.549 -10.342 1.00 40.44 H new ATOM 0 HG3 LYS A 78 5.537 3.038 -9.455 1.00 40.44 H new ATOM 0 HD2 LYS A 78 3.662 2.228 -10.829 1.00 35.34 H new ATOM 0 HD3 LYS A 78 3.563 3.769 -11.658 1.00 35.34 H new ATOM 0 HE2 LYS A 78 4.766 2.150 -13.048 1.00 20.51 H new ATOM 0 HE3 LYS A 78 5.844 3.447 -12.573 1.00 20.51 H new ATOM 0 HZ1 LYS A 78 6.839 1.225 -12.371 1.00 70.14 H new ATOM 0 HZ2 LYS A 78 6.809 2.055 -10.890 1.00 70.14 H new ATOM 0 HZ3 LYS A 78 5.687 0.817 -11.192 1.00 70.14 H new ATOM 1237 N LEU A 79 1.121 4.971 -10.267 1.00 31.44 N ATOM 1238 CA LEU A 79 0.082 4.714 -11.282 1.00 42.35 C ATOM 1239 C LEU A 79 -0.832 5.933 -11.491 1.00 54.25 C ATOM 1240 O LEU A 79 -1.543 6.031 -12.496 1.00 71.22 O ATOM 1241 CB LEU A 79 -0.760 3.495 -10.873 1.00 54.43 C ATOM 1242 CG LEU A 79 0.030 2.191 -10.666 1.00 44.33 C ATOM 1243 CD1 LEU A 79 -0.908 1.038 -10.316 1.00 62.10 C ATOM 1244 CD2 LEU A 79 0.860 1.859 -11.904 1.00 13.22 C ATOM 0 H LEU A 79 0.870 4.671 -9.325 1.00 31.44 H new ATOM 0 HA LEU A 79 0.587 4.513 -12.227 1.00 42.35 H new ATOM 0 HB2 LEU A 79 -1.287 3.732 -9.949 1.00 54.43 H new ATOM 0 HB3 LEU A 79 -1.518 3.324 -11.638 1.00 54.43 H new ATOM 0 HG LEU A 79 0.713 2.337 -9.829 1.00 44.33 H new ATOM 0 HD11 LEU A 79 -0.327 0.127 -10.174 1.00 62.10 H new ATOM 0 HD12 LEU A 79 -1.445 1.272 -9.397 1.00 62.10 H new ATOM 0 HD13 LEU A 79 -1.622 0.891 -11.126 1.00 62.10 H new ATOM 0 HD21 LEU A 79 1.410 0.933 -11.736 1.00 13.22 H new ATOM 0 HD22 LEU A 79 0.200 1.738 -12.763 1.00 13.22 H new ATOM 0 HD23 LEU A 79 1.563 2.669 -12.099 1.00 13.22 H new ATOM 1256 N PHE A 80 -0.819 6.851 -10.529 1.00 43.43 N ATOM 1257 CA PHE A 80 -1.610 8.088 -10.598 1.00 60.32 C ATOM 1258 C PHE A 80 -0.770 9.290 -10.109 1.00 1.11 C ATOM 1259 O PHE A 80 -1.214 10.056 -9.254 1.00 11.13 O ATOM 1260 CB PHE A 80 -2.875 7.948 -9.729 1.00 23.51 C ATOM 1261 CG PHE A 80 -3.647 6.668 -9.959 1.00 71.11 C ATOM 1262 CD1 PHE A 80 -4.549 6.558 -11.008 1.00 44.34 C ATOM 1263 CD2 PHE A 80 -3.465 5.571 -9.125 1.00 23.32 C ATOM 1264 CE1 PHE A 80 -5.248 5.385 -11.221 1.00 72.43 C ATOM 1265 CE2 PHE A 80 -4.164 4.396 -9.333 1.00 73.12 C ATOM 1266 CZ PHE A 80 -5.057 4.304 -10.383 1.00 61.21 C ATOM 0 H PHE A 80 -0.263 6.764 -9.679 1.00 43.43 H new ATOM 0 HA PHE A 80 -1.901 8.261 -11.634 1.00 60.32 H new ATOM 0 HB2 PHE A 80 -2.588 8.002 -8.679 1.00 23.51 H new ATOM 0 HB3 PHE A 80 -3.532 8.795 -9.925 1.00 23.51 H new ATOM 0 HD1 PHE A 80 -4.707 7.400 -11.666 1.00 44.34 H new ATOM 0 HD2 PHE A 80 -2.768 5.637 -8.303 1.00 23.32 H new ATOM 0 HE1 PHE A 80 -5.944 5.314 -12.044 1.00 72.43 H new ATOM 0 HE2 PHE A 80 -4.012 3.552 -8.676 1.00 73.12 H new ATOM 0 HZ PHE A 80 -5.605 3.388 -10.548 1.00 61.21 H new