USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 578 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 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc=-0.000807 K(o=-0.00081,f=-1) USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= -0.0058 (180deg=-0.175) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -9.63! C(o=-9.6!,f=-11!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc=-0.000319 X(o=-0.00032,f=0) USER MOD Single : A 40 GLN : amide:sc= -2.1! C(o=-2.1!,f=-3.1!) USER MOD Single : A 56 SER OG : rot 122:sc= 1.14 USER MOD Single : A 57 HIS : no HD1:sc= -1.75! C(o=-1.7!,f=-1.5!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0933 USER MOD Single : A 63 HIS : no HD1:sc= -1.88 X(o=-1.9,f=-1.5) USER MOD Single : A 64 GLN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 42:sc= 0.0747 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.0402 X(o=-0.04,f=-0.13) USER MOD Single : A 103 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0232) USER MOD ----------------------------------------------------------------- ATOM 124 N TYR A 11 11.657 4.443 -4.813 1.00 0.00 N ATOM 125 CA TYR A 11 11.458 4.559 -3.378 1.00 0.00 C ATOM 126 C TYR A 11 10.635 5.803 -3.037 1.00 0.00 C ATOM 127 O TYR A 11 10.513 6.714 -3.856 1.00 0.00 O ATOM 128 CB TYR A 11 12.853 4.702 -2.768 1.00 0.00 C ATOM 129 CG TYR A 11 13.732 3.459 -2.926 1.00 0.00 C ATOM 130 CD1 TYR A 11 13.171 2.201 -2.832 1.00 0.00 C ATOM 131 CD2 TYR A 11 15.085 3.596 -3.163 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.998 1.032 -2.980 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.911 2.426 -3.311 1.00 0.00 C ATOM 134 CZ TYR A 11 15.327 1.202 -3.213 1.00 0.00 C ATOM 135 OH TYR A 11 16.108 0.097 -3.353 1.00 0.00 O ATOM 0 HA TYR A 11 10.921 3.691 -2.994 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.356 5.551 -3.231 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.753 4.931 -1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.112 2.094 -2.648 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.524 4.580 -3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.572 0.042 -2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.971 2.519 -3.496 1.00 0.00 H new ATOM 0 HH TYR A 11 17.035 0.370 -3.516 1.00 0.00 H new ATOM 145 N LYS A 12 10.094 5.803 -1.828 1.00 0.00 N ATOM 146 CA LYS A 12 9.286 6.921 -1.369 1.00 0.00 C ATOM 147 C LYS A 12 8.379 7.390 -2.508 1.00 0.00 C ATOM 148 O LYS A 12 8.549 8.491 -3.029 1.00 0.00 O ATOM 149 CB LYS A 12 10.177 8.026 -0.798 1.00 0.00 C ATOM 150 CG LYS A 12 10.668 7.664 0.605 1.00 0.00 C ATOM 151 CD LYS A 12 10.330 8.770 1.607 1.00 0.00 C ATOM 152 CE LYS A 12 11.089 10.057 1.278 1.00 0.00 C ATOM 153 NZ LYS A 12 11.843 10.531 2.460 1.00 0.00 N ATOM 0 H LYS A 12 10.199 5.047 -1.152 1.00 0.00 H new ATOM 0 HA LYS A 12 8.636 6.611 -0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.031 8.186 -1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.622 8.964 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.211 6.727 0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.746 7.502 0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.257 8.963 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.583 8.442 2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.774 9.880 0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.388 10.826 0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.352 11.405 2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.182 10.719 3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.525 9.802 2.752 1.00 0.00 H new ATOM 167 N GLN A 13 7.433 6.531 -2.861 1.00 0.00 N ATOM 168 CA GLN A 13 6.498 6.843 -3.928 1.00 0.00 C ATOM 169 C GLN A 13 5.156 6.154 -3.677 1.00 0.00 C ATOM 170 O GLN A 13 5.113 4.959 -3.385 1.00 0.00 O ATOM 171 CB GLN A 13 7.070 6.450 -5.291 1.00 0.00 C ATOM 172 CG GLN A 13 5.978 6.439 -6.362 1.00 0.00 C ATOM 173 CD GLN A 13 6.584 6.343 -7.763 1.00 0.00 C ATOM 174 OE1 GLN A 13 7.789 6.269 -7.943 1.00 0.00 O ATOM 175 NE2 GLN A 13 5.685 6.349 -8.743 1.00 0.00 N ATOM 0 H GLN A 13 7.295 5.619 -2.426 1.00 0.00 H new ATOM 0 HA GLN A 13 6.334 7.921 -3.937 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.856 7.150 -5.575 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.530 5.464 -5.226 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.307 5.596 -6.194 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.377 7.345 -6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.691 6.413 -8.523 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.989 6.289 -9.715 1.00 0.00 H new ATOM 184 N ILE A 14 4.093 6.935 -3.799 1.00 0.00 N ATOM 185 CA ILE A 14 2.753 6.414 -3.589 1.00 0.00 C ATOM 186 C ILE A 14 2.298 5.668 -4.844 1.00 0.00 C ATOM 187 O ILE A 14 2.312 6.224 -5.941 1.00 0.00 O ATOM 188 CB ILE A 14 1.803 7.535 -3.161 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.426 8.389 -2.055 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.440 6.973 -2.753 1.00 0.00 C ATOM 191 CD1 ILE A 14 2.177 7.770 -0.678 1.00 0.00 C ATOM 0 H ILE A 14 4.132 7.925 -4.041 1.00 0.00 H new ATOM 0 HA ILE A 14 2.748 5.694 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 14 1.638 8.189 -4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.498 8.486 -2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.006 9.394 -2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.216 7.791 -2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.003 6.443 -3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.566 6.284 -1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.630 8.397 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.104 7.697 -0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.619 6.774 -0.641 1.00 0.00 H new ATOM 203 N VAL A 15 1.905 4.419 -4.641 1.00 0.00 N ATOM 204 CA VAL A 15 1.446 3.590 -5.744 1.00 0.00 C ATOM 205 C VAL A 15 0.308 2.689 -5.260 1.00 0.00 C ATOM 206 O VAL A 15 0.074 2.571 -4.058 1.00 0.00 O ATOM 207 CB VAL A 15 2.620 2.806 -6.333 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.338 3.621 -7.410 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.594 2.370 -5.236 1.00 0.00 C ATOM 0 H VAL A 15 1.895 3.961 -3.730 1.00 0.00 H new ATOM 0 HA VAL A 15 1.050 4.210 -6.549 1.00 0.00 H new ATOM 0 HB VAL A 15 2.220 1.907 -6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.168 3.041 -7.812 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.639 3.859 -8.212 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.719 4.545 -6.974 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.419 1.815 -5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.983 3.250 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.074 1.734 -4.519 1.00 0.00 H new ATOM 219 N TRP A 16 -0.368 2.077 -6.220 1.00 0.00 N ATOM 220 CA TRP A 16 -1.476 1.190 -5.907 1.00 0.00 C ATOM 221 C TRP A 16 -0.943 -0.244 -5.890 1.00 0.00 C ATOM 222 O TRP A 16 -0.387 -0.715 -6.880 1.00 0.00 O ATOM 223 CB TRP A 16 -2.631 1.387 -6.891 1.00 0.00 C ATOM 224 CG TRP A 16 -3.423 2.677 -6.671 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.259 3.860 -7.280 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.517 2.868 -5.749 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.163 4.795 -6.820 1.00 0.00 N ATOM 228 CE2 TRP A 16 -4.953 4.173 -5.860 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.118 1.968 -4.852 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -6.008 4.695 -5.102 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.171 2.506 -4.102 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.622 3.817 -4.201 1.00 0.00 C ATOM 0 H TRP A 16 -0.170 2.177 -7.216 1.00 0.00 H new ATOM 0 HA TRP A 16 -1.889 1.420 -4.925 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.234 1.385 -7.906 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.310 0.538 -6.813 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.513 4.056 -8.036 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.238 5.765 -7.128 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.793 0.943 -4.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.331 5.720 -5.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.668 1.856 -3.397 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.442 4.157 -3.586 1.00 0.00 H new ATOM 243 N VAL A 17 -1.132 -0.898 -4.753 1.00 0.00 N ATOM 244 CA VAL A 17 -0.677 -2.269 -4.593 1.00 0.00 C ATOM 245 C VAL A 17 -1.762 -3.223 -5.096 1.00 0.00 C ATOM 246 O VAL A 17 -2.940 -3.046 -4.790 1.00 0.00 O ATOM 247 CB VAL A 17 -0.284 -2.523 -3.137 1.00 0.00 C ATOM 248 CG1 VAL A 17 -1.452 -3.125 -2.351 1.00 0.00 C ATOM 249 CG2 VAL A 17 0.953 -3.419 -3.051 1.00 0.00 C ATOM 0 H VAL A 17 -1.594 -0.504 -3.934 1.00 0.00 H new ATOM 0 HA VAL A 17 0.216 -2.448 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.035 -1.563 -2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.146 -3.296 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.297 -2.436 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.746 -4.072 -2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.211 -3.584 -2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.743 -4.376 -3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.788 -2.936 -3.559 1.00 0.00 H new ATOM 259 N LYS A 18 -1.326 -4.215 -5.859 1.00 0.00 N ATOM 260 CA LYS A 18 -2.245 -5.197 -6.407 1.00 0.00 C ATOM 261 C LYS A 18 -2.463 -6.312 -5.382 1.00 0.00 C ATOM 262 O LYS A 18 -1.559 -7.104 -5.120 1.00 0.00 O ATOM 263 CB LYS A 18 -1.748 -5.698 -7.764 1.00 0.00 C ATOM 264 CG LYS A 18 -2.915 -6.157 -8.640 1.00 0.00 C ATOM 265 CD LYS A 18 -2.423 -6.614 -10.015 1.00 0.00 C ATOM 266 CE LYS A 18 -3.541 -7.307 -10.796 1.00 0.00 C ATOM 267 NZ LYS A 18 -3.820 -8.644 -10.227 1.00 0.00 N ATOM 0 H LYS A 18 -0.348 -4.359 -6.110 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.218 -4.744 -6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.199 -4.904 -8.270 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.052 -6.524 -7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.443 -6.974 -8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.628 -5.341 -8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.059 -5.755 -10.579 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.581 -7.296 -9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.444 -6.698 -10.767 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.255 -7.404 -11.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.385 -9.197 -10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.923 -9.136 -10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.348 -8.539 -9.337 1.00 0.00 H new ATOM 366 N TRP A 24 -7.877 -2.804 -5.246 1.00 0.00 N ATOM 367 CA TRP A 24 -6.462 -2.562 -5.016 1.00 0.00 C ATOM 368 C TRP A 24 -6.316 -1.873 -3.658 1.00 0.00 C ATOM 369 O TRP A 24 -7.305 -1.448 -3.063 1.00 0.00 O ATOM 370 CB TRP A 24 -5.850 -1.757 -6.164 1.00 0.00 C ATOM 371 CG TRP A 24 -5.942 -2.447 -7.526 1.00 0.00 C ATOM 372 CD1 TRP A 24 -7.031 -2.950 -8.124 1.00 0.00 C ATOM 373 CD2 TRP A 24 -4.854 -2.690 -8.442 1.00 0.00 C ATOM 374 NE1 TRP A 24 -6.725 -3.498 -9.353 1.00 0.00 N ATOM 375 CE2 TRP A 24 -5.359 -3.334 -9.553 1.00 0.00 C ATOM 376 CE3 TRP A 24 -3.488 -2.375 -8.336 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -4.568 -3.720 -10.642 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -2.710 -2.767 -9.433 1.00 0.00 C ATOM 379 CH2 TRP A 24 -3.203 -3.417 -10.558 1.00 0.00 C ATOM 0 HA TRP A 24 -5.908 -3.501 -4.992 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.350 -0.790 -6.223 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.802 -1.560 -5.938 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.023 -2.929 -7.698 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.380 -3.942 -9.996 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.071 -1.871 -7.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -4.988 -4.224 -11.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.653 -2.549 -9.402 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.537 -3.687 -11.364 1.00 0.00 H new ATOM 390 N TRP A 25 -5.073 -1.783 -3.207 1.00 0.00 N ATOM 391 CA TRP A 25 -4.784 -1.153 -1.930 1.00 0.00 C ATOM 392 C TRP A 25 -3.649 -0.150 -2.144 1.00 0.00 C ATOM 393 O TRP A 25 -2.649 -0.466 -2.787 1.00 0.00 O ATOM 394 CB TRP A 25 -4.463 -2.200 -0.862 1.00 0.00 C ATOM 395 CG TRP A 25 -4.707 -1.723 0.571 1.00 0.00 C ATOM 396 CD1 TRP A 25 -3.899 -0.982 1.343 1.00 0.00 C ATOM 397 CD2 TRP A 25 -5.874 -1.985 1.378 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.458 -0.749 2.583 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.698 -1.377 2.605 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.041 -2.710 1.081 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.647 -1.434 3.632 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -7.981 -2.758 2.119 1.00 0.00 C ATOM 403 CH2 TRP A 25 -7.818 -2.152 3.359 1.00 0.00 C ATOM 0 H TRP A 25 -4.255 -2.136 -3.703 1.00 0.00 H new ATOM 0 HA TRP A 25 -5.657 -0.617 -1.558 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.067 -3.089 -1.046 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -3.419 -2.498 -0.962 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -2.932 -0.614 1.033 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -4.038 -0.214 3.344 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.201 -3.192 0.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.485 -0.950 4.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -8.896 -3.304 1.943 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.591 -2.234 4.109 1.00 0.00 H new ATOM 414 N PRO A 26 -3.846 1.071 -1.577 1.00 0.00 N ATOM 415 CA PRO A 26 -2.850 2.122 -1.699 1.00 0.00 C ATOM 416 C PRO A 26 -1.653 1.853 -0.785 1.00 0.00 C ATOM 417 O PRO A 26 -1.817 1.356 0.328 1.00 0.00 O ATOM 418 CB PRO A 26 -3.588 3.404 -1.350 1.00 0.00 C ATOM 419 CG PRO A 26 -4.837 2.975 -0.598 1.00 0.00 C ATOM 420 CD PRO A 26 -5.017 1.481 -0.808 1.00 0.00 C ATOM 0 HA PRO A 26 -2.423 2.183 -2.700 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.968 4.057 -0.736 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.846 3.963 -2.249 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.740 3.202 0.464 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.708 3.519 -0.963 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.072 0.951 0.143 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.940 1.265 -1.346 1.00 0.00 H new ATOM 428 N ALA A 27 -0.476 2.192 -1.290 1.00 0.00 N ATOM 429 CA ALA A 27 0.748 1.993 -0.533 1.00 0.00 C ATOM 430 C ALA A 27 1.851 2.881 -1.112 1.00 0.00 C ATOM 431 O ALA A 27 1.694 3.445 -2.194 1.00 0.00 O ATOM 432 CB ALA A 27 1.124 0.510 -0.550 1.00 0.00 C ATOM 0 H ALA A 27 -0.344 2.603 -2.214 1.00 0.00 H new ATOM 0 HA ALA A 27 0.606 2.281 0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.042 0.361 0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.321 -0.074 -0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.277 0.185 -1.579 1.00 0.00 H new ATOM 438 N GLU A 28 2.942 2.977 -0.367 1.00 0.00 N ATOM 439 CA GLU A 28 4.071 3.787 -0.793 1.00 0.00 C ATOM 440 C GLU A 28 5.361 2.966 -0.746 1.00 0.00 C ATOM 441 O GLU A 28 5.719 2.425 0.299 1.00 0.00 O ATOM 442 CB GLU A 28 4.194 5.050 0.061 1.00 0.00 C ATOM 443 CG GLU A 28 5.583 5.674 -0.079 1.00 0.00 C ATOM 444 CD GLU A 28 6.413 5.457 1.189 1.00 0.00 C ATOM 445 OE1 GLU A 28 5.995 5.991 2.238 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.445 4.761 1.079 1.00 0.00 O ATOM 0 H GLU A 28 3.069 2.507 0.529 1.00 0.00 H new ATOM 0 HA GLU A 28 3.900 4.100 -1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.435 5.772 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.005 4.806 1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.098 5.236 -0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.488 6.742 -0.277 1.00 0.00 H new ATOM 453 N ILE A 29 6.023 2.898 -1.892 1.00 0.00 N ATOM 454 CA ILE A 29 7.266 2.151 -1.994 1.00 0.00 C ATOM 455 C ILE A 29 8.245 2.650 -0.929 1.00 0.00 C ATOM 456 O ILE A 29 8.560 3.838 -0.878 1.00 0.00 O ATOM 457 CB ILE A 29 7.818 2.224 -3.419 1.00 0.00 C ATOM 458 CG1 ILE A 29 6.879 1.529 -4.407 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.239 1.660 -3.486 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.423 1.616 -5.835 1.00 0.00 C ATOM 0 H ILE A 29 5.723 3.347 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 29 7.093 1.093 -1.797 1.00 0.00 H new ATOM 0 HB ILE A 29 7.873 3.273 -3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.757 0.484 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.892 1.989 -4.361 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.608 1.724 -4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.891 2.236 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.232 0.618 -3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.737 1.114 -6.517 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.521 2.662 -6.124 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.399 1.133 -5.883 1.00 0.00 H new ATOM 472 N CYS A 30 8.698 1.717 -0.105 1.00 0.00 N ATOM 473 CA CYS A 30 9.635 2.047 0.956 1.00 0.00 C ATOM 474 C CYS A 30 11.000 1.462 0.590 1.00 0.00 C ATOM 475 O CYS A 30 11.103 0.635 -0.314 1.00 0.00 O ATOM 476 CB CYS A 30 9.146 1.548 2.317 1.00 0.00 C ATOM 477 SG CYS A 30 9.303 2.878 3.565 1.00 0.00 S ATOM 0 H CYS A 30 8.434 0.733 -0.150 1.00 0.00 H new ATOM 0 HA CYS A 30 9.718 3.130 1.048 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.107 1.227 2.244 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.727 0.679 2.625 1.00 0.00 H new ATOM 0 HG CYS A 30 8.883 2.444 4.716 1.00 0.00 H new ATOM 483 N ASN A 31 12.015 1.915 1.312 1.00 0.00 N ATOM 484 CA ASN A 31 13.370 1.447 1.075 1.00 0.00 C ATOM 485 C ASN A 31 13.676 0.283 2.020 1.00 0.00 C ATOM 486 O ASN A 31 12.957 0.065 2.994 1.00 0.00 O ATOM 487 CB ASN A 31 14.390 2.555 1.343 1.00 0.00 C ATOM 488 CG ASN A 31 14.799 3.250 0.043 1.00 0.00 C ATOM 489 OD1 ASN A 31 15.501 2.702 -0.791 1.00 0.00 O ATOM 490 ND2 ASN A 31 14.323 4.486 -0.082 1.00 0.00 N ATOM 0 H ASN A 31 11.926 2.601 2.061 1.00 0.00 H new ATOM 0 HA ASN A 31 13.442 1.135 0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 31 13.966 3.285 2.032 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.271 2.134 1.827 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.540 5.035 -0.914 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.741 4.885 0.654 1.00 0.00 H new ATOM 497 N PRO A 32 14.772 -0.451 1.692 1.00 0.00 N ATOM 498 CA PRO A 32 15.181 -1.587 2.500 1.00 0.00 C ATOM 499 C PRO A 32 15.839 -1.124 3.802 1.00 0.00 C ATOM 500 O PRO A 32 15.914 -1.883 4.767 1.00 0.00 O ATOM 501 CB PRO A 32 16.121 -2.384 1.611 1.00 0.00 C ATOM 502 CG PRO A 32 16.567 -1.431 0.514 1.00 0.00 C ATOM 503 CD PRO A 32 15.647 -0.221 0.546 1.00 0.00 C ATOM 0 HA PRO A 32 14.339 -2.202 2.819 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.975 -2.753 2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.617 -3.254 1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.602 -1.128 0.669 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.521 -1.920 -0.459 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.213 0.704 0.659 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.075 -0.134 -0.378 1.00 0.00 H new ATOM 511 N ARG A 33 16.299 0.118 3.786 1.00 0.00 N ATOM 512 CA ARG A 33 16.947 0.691 4.953 1.00 0.00 C ATOM 513 C ARG A 33 15.910 1.340 5.872 1.00 0.00 C ATOM 514 O ARG A 33 16.213 1.678 7.015 1.00 0.00 O ATOM 515 CB ARG A 33 17.986 1.738 4.548 1.00 0.00 C ATOM 516 CG ARG A 33 19.148 1.093 3.789 1.00 0.00 C ATOM 517 CD ARG A 33 20.146 0.452 4.755 1.00 0.00 C ATOM 518 NE ARG A 33 21.485 1.056 4.574 1.00 0.00 N ATOM 519 CZ ARG A 33 22.274 0.829 3.515 1.00 0.00 C ATOM 520 NH1 ARG A 33 21.863 0.012 2.536 1.00 0.00 N ATOM 521 NH2 ARG A 33 23.474 1.420 3.435 1.00 0.00 N ATOM 0 H ARG A 33 16.236 0.744 2.983 1.00 0.00 H new ATOM 0 HA ARG A 33 17.451 -0.118 5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.517 2.499 3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.364 2.244 5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.764 0.338 3.103 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.654 1.845 3.184 1.00 0.00 H new ATOM 0 HD2 ARG A 33 19.811 0.592 5.783 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.196 -0.623 4.579 1.00 0.00 H new ATOM 0 HE ARG A 33 21.829 1.684 5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 33 20.949 -0.437 2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 33 22.464 -0.161 1.730 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.787 2.042 4.180 1.00 0.00 H new ATOM 0 HH22 ARG A 33 24.075 1.247 2.629 1.00 0.00 H new ATOM 535 N SER A 34 14.708 1.495 5.338 1.00 0.00 N ATOM 536 CA SER A 34 13.624 2.098 6.095 1.00 0.00 C ATOM 537 C SER A 34 12.869 1.021 6.876 1.00 0.00 C ATOM 538 O SER A 34 12.813 1.063 8.104 1.00 0.00 O ATOM 539 CB SER A 34 12.666 2.858 5.176 1.00 0.00 C ATOM 540 OG SER A 34 12.892 4.265 5.215 1.00 0.00 O ATOM 0 H SER A 34 14.460 1.213 4.389 1.00 0.00 H new ATOM 0 HA SER A 34 14.053 2.813 6.797 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.784 2.500 4.153 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.638 2.648 5.470 1.00 0.00 H new ATOM 0 HG SER A 34 12.262 4.714 4.614 1.00 0.00 H new ATOM 546 N VAL A 35 12.306 0.081 6.131 1.00 0.00 N ATOM 547 CA VAL A 35 11.556 -1.006 6.737 1.00 0.00 C ATOM 548 C VAL A 35 12.421 -1.684 7.802 1.00 0.00 C ATOM 549 O VAL A 35 13.647 -1.590 7.764 1.00 0.00 O ATOM 550 CB VAL A 35 11.070 -1.974 5.657 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.306 -1.230 4.559 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.236 -2.771 5.069 1.00 0.00 C ATOM 0 H VAL A 35 12.354 0.050 5.113 1.00 0.00 H new ATOM 0 HA VAL A 35 10.665 -0.624 7.235 1.00 0.00 H new ATOM 0 HB VAL A 35 10.384 -2.680 6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.971 -1.941 3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.441 -0.728 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.961 -0.491 4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.862 -3.451 4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.958 -2.086 4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.720 -3.345 5.859 1.00 0.00 H new ATOM 562 N PRO A 36 11.731 -2.372 8.751 1.00 0.00 N ATOM 563 CA PRO A 36 12.422 -3.066 9.824 1.00 0.00 C ATOM 564 C PRO A 36 13.072 -4.354 9.314 1.00 0.00 C ATOM 565 O PRO A 36 12.607 -4.945 8.341 1.00 0.00 O ATOM 566 CB PRO A 36 11.359 -3.315 10.881 1.00 0.00 C ATOM 567 CG PRO A 36 10.023 -3.170 10.170 1.00 0.00 C ATOM 568 CD PRO A 36 10.279 -2.506 8.827 1.00 0.00 C ATOM 0 HA PRO A 36 13.247 -2.486 10.238 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.465 -4.309 11.315 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.446 -2.600 11.699 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.557 -4.145 10.031 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.336 -2.571 10.767 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.894 -3.111 8.006 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.788 -1.535 8.765 1.00 0.00 H new ATOM 576 N LEU A 37 14.137 -4.751 9.996 1.00 0.00 N ATOM 577 CA LEU A 37 14.855 -5.958 9.624 1.00 0.00 C ATOM 578 C LEU A 37 13.856 -7.101 9.426 1.00 0.00 C ATOM 579 O LEU A 37 14.031 -7.937 8.542 1.00 0.00 O ATOM 580 CB LEU A 37 15.948 -6.268 10.649 1.00 0.00 C ATOM 581 CG LEU A 37 17.384 -5.980 10.206 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.765 -6.833 8.994 1.00 0.00 C ATOM 583 CD2 LEU A 37 17.587 -4.487 9.942 1.00 0.00 C ATOM 0 H LEU A 37 14.519 -4.258 10.803 1.00 0.00 H new ATOM 0 HA LEU A 37 15.371 -5.817 8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.745 -5.693 11.552 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.877 -7.321 10.919 1.00 0.00 H new ATOM 0 HG LEU A 37 18.055 -6.257 11.019 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.790 -6.609 8.699 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.684 -7.889 9.252 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.092 -6.610 8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.616 -4.310 9.629 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.907 -4.161 9.155 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.383 -3.925 10.854 1.00 0.00 H new ATOM 595 N ASN A 38 12.830 -7.099 10.265 1.00 0.00 N ATOM 596 CA ASN A 38 11.803 -8.124 10.193 1.00 0.00 C ATOM 597 C ASN A 38 11.368 -8.303 8.738 1.00 0.00 C ATOM 598 O ASN A 38 11.225 -9.429 8.263 1.00 0.00 O ATOM 599 CB ASN A 38 10.572 -7.728 11.010 1.00 0.00 C ATOM 600 CG ASN A 38 10.071 -8.903 11.853 1.00 0.00 C ATOM 601 OD1 ASN A 38 10.647 -9.263 12.866 1.00 0.00 O ATOM 602 ND2 ASN A 38 8.971 -9.480 11.378 1.00 0.00 N ATOM 0 H ASN A 38 12.688 -6.404 10.998 1.00 0.00 H new ATOM 0 HA ASN A 38 12.220 -9.048 10.594 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.818 -6.888 11.660 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.780 -7.392 10.341 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.559 -10.274 11.868 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.539 -9.128 10.524 1.00 0.00 H new ATOM 609 N ILE A 39 11.170 -7.176 8.070 1.00 0.00 N ATOM 610 CA ILE A 39 10.753 -7.195 6.678 1.00 0.00 C ATOM 611 C ILE A 39 11.954 -7.543 5.796 1.00 0.00 C ATOM 612 O ILE A 39 11.857 -8.403 4.921 1.00 0.00 O ATOM 613 CB ILE A 39 10.078 -5.874 6.303 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.118 -5.418 7.404 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.383 -5.980 4.944 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.174 -6.551 7.813 1.00 0.00 C ATOM 0 H ILE A 39 11.291 -6.244 8.467 1.00 0.00 H new ATOM 0 HA ILE A 39 10.002 -7.968 6.516 1.00 0.00 H new ATOM 0 HB ILE A 39 10.849 -5.110 6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.687 -5.083 8.271 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.537 -4.564 7.054 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.911 -5.028 4.701 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.118 -6.227 4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.624 -6.761 4.983 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.503 -6.200 8.597 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.589 -6.867 6.949 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.757 -7.394 8.185 1.00 0.00 H new ATOM 628 N GLN A 40 13.058 -6.858 6.056 1.00 0.00 N ATOM 629 CA GLN A 40 14.276 -7.085 5.297 1.00 0.00 C ATOM 630 C GLN A 40 14.633 -8.573 5.298 1.00 0.00 C ATOM 631 O GLN A 40 15.177 -9.085 4.321 1.00 0.00 O ATOM 632 CB GLN A 40 15.429 -6.243 5.846 1.00 0.00 C ATOM 633 CG GLN A 40 15.085 -4.753 5.812 1.00 0.00 C ATOM 634 CD GLN A 40 16.240 -3.911 6.360 1.00 0.00 C ATOM 635 OE1 GLN A 40 17.402 -4.136 6.061 1.00 0.00 O ATOM 636 NE2 GLN A 40 15.857 -2.933 7.175 1.00 0.00 N ATOM 0 H GLN A 40 13.134 -6.145 6.782 1.00 0.00 H new ATOM 0 HA GLN A 40 14.102 -6.775 4.267 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.650 -6.546 6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.329 -6.426 5.259 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.863 -4.451 4.789 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.186 -4.570 6.400 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.867 -2.801 7.383 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.553 -2.315 7.592 1.00 0.00 H new ATOM 645 N GLY A 41 14.313 -9.224 6.407 1.00 0.00 N ATOM 646 CA GLY A 41 14.594 -10.643 6.548 1.00 0.00 C ATOM 647 C GLY A 41 13.877 -11.454 5.466 1.00 0.00 C ATOM 648 O GLY A 41 14.356 -12.512 5.059 1.00 0.00 O ATOM 0 H GLY A 41 13.862 -8.796 7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.669 -10.813 6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.277 -10.984 7.533 1.00 0.00 H new ATOM 652 N LEU A 42 12.742 -10.928 5.032 1.00 0.00 N ATOM 653 CA LEU A 42 11.955 -11.589 4.005 1.00 0.00 C ATOM 654 C LEU A 42 12.856 -11.926 2.815 1.00 0.00 C ATOM 655 O LEU A 42 13.301 -13.063 2.671 1.00 0.00 O ATOM 656 CB LEU A 42 10.737 -10.741 3.634 1.00 0.00 C ATOM 657 CG LEU A 42 9.816 -10.346 4.791 1.00 0.00 C ATOM 658 CD1 LEU A 42 8.839 -9.249 4.365 1.00 0.00 C ATOM 659 CD2 LEU A 42 9.093 -11.569 5.358 1.00 0.00 C ATOM 0 H LEU A 42 12.348 -10.051 5.373 1.00 0.00 H new ATOM 0 HA LEU A 42 11.556 -12.532 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.088 -9.831 3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.148 -11.289 2.898 1.00 0.00 H new ATOM 0 HG LEU A 42 10.431 -9.935 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.197 -8.987 5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.397 -8.368 4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.226 -9.608 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.445 -11.261 6.179 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.492 -12.032 4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.826 -12.287 5.725 1.00 0.00 H new ATOM 748 N ASP A 48 11.200 -7.018 -6.640 1.00 0.00 N ATOM 749 CA ASP A 48 10.294 -6.749 -5.536 1.00 0.00 C ATOM 750 C ASP A 48 10.988 -5.834 -4.524 1.00 0.00 C ATOM 751 O ASP A 48 12.115 -6.103 -4.110 1.00 0.00 O ATOM 752 CB ASP A 48 9.904 -8.041 -4.815 1.00 0.00 C ATOM 753 CG ASP A 48 9.941 -9.301 -5.682 1.00 0.00 C ATOM 754 OD1 ASP A 48 9.865 -9.141 -6.919 1.00 0.00 O ATOM 755 OD2 ASP A 48 10.045 -10.396 -5.087 1.00 0.00 O ATOM 0 HA ASP A 48 9.398 -6.279 -5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.573 -8.182 -3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.898 -7.925 -4.412 1.00 0.00 H new ATOM 760 N PHE A 49 10.287 -4.772 -4.156 1.00 0.00 N ATOM 761 CA PHE A 49 10.821 -3.817 -3.201 1.00 0.00 C ATOM 762 C PHE A 49 9.935 -3.731 -1.956 1.00 0.00 C ATOM 763 O PHE A 49 8.787 -4.172 -1.976 1.00 0.00 O ATOM 764 CB PHE A 49 10.839 -2.453 -3.895 1.00 0.00 C ATOM 765 CG PHE A 49 9.603 -2.175 -4.752 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.367 -2.173 -4.183 1.00 0.00 C ATOM 767 CD2 PHE A 49 9.739 -1.930 -6.082 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.220 -1.915 -4.978 1.00 0.00 C ATOM 769 CE2 PHE A 49 8.591 -1.672 -6.878 1.00 0.00 C ATOM 770 CZ PHE A 49 7.356 -1.669 -6.309 1.00 0.00 C ATOM 0 H PHE A 49 9.353 -4.552 -4.502 1.00 0.00 H new ATOM 0 HA PHE A 49 11.817 -4.126 -2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.927 -1.673 -3.139 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.727 -2.389 -4.524 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.259 -2.368 -3.126 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.720 -1.931 -6.534 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.239 -1.914 -4.526 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.699 -1.478 -7.935 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.483 -1.471 -6.914 1.00 0.00 H new ATOM 780 N PRO A 50 10.517 -3.144 -0.876 1.00 0.00 N ATOM 781 CA PRO A 50 9.793 -2.995 0.375 1.00 0.00 C ATOM 782 C PRO A 50 8.758 -1.872 0.279 1.00 0.00 C ATOM 783 O PRO A 50 9.090 -0.748 -0.094 1.00 0.00 O ATOM 784 CB PRO A 50 10.863 -2.728 1.420 1.00 0.00 C ATOM 785 CG PRO A 50 12.094 -2.278 0.650 1.00 0.00 C ATOM 786 CD PRO A 50 11.874 -2.610 -0.817 1.00 0.00 C ATOM 0 HA PRO A 50 9.215 -3.882 0.634 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.540 -1.960 2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.073 -3.625 2.002 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.255 -1.208 0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.985 -2.782 1.026 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.979 -1.724 -1.444 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.602 -3.339 -1.172 1.00 0.00 H new ATOM 794 N VAL A 51 7.525 -2.215 0.622 1.00 0.00 N ATOM 795 CA VAL A 51 6.440 -1.250 0.579 1.00 0.00 C ATOM 796 C VAL A 51 5.627 -1.345 1.872 1.00 0.00 C ATOM 797 O VAL A 51 5.780 -2.296 2.636 1.00 0.00 O ATOM 798 CB VAL A 51 5.594 -1.469 -0.677 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.448 -1.354 -1.941 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.873 -2.818 -0.623 1.00 0.00 C ATOM 0 H VAL A 51 7.253 -3.148 0.931 1.00 0.00 H new ATOM 0 HA VAL A 51 6.834 -0.235 0.516 1.00 0.00 H new ATOM 0 HB VAL A 51 4.837 -0.685 -0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.822 -1.514 -2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.894 -0.361 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.237 -2.105 -1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.279 -2.949 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.607 -3.620 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.219 -2.846 0.248 1.00 0.00 H new ATOM 810 N PHE A 52 4.782 -0.345 2.076 1.00 0.00 N ATOM 811 CA PHE A 52 3.945 -0.304 3.263 1.00 0.00 C ATOM 812 C PHE A 52 2.468 -0.167 2.888 1.00 0.00 C ATOM 813 O PHE A 52 2.084 0.774 2.196 1.00 0.00 O ATOM 814 CB PHE A 52 4.371 0.926 4.068 1.00 0.00 C ATOM 815 CG PHE A 52 3.482 1.215 5.279 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.579 0.442 6.394 1.00 0.00 C ATOM 817 CD2 PHE A 52 2.594 2.245 5.241 1.00 0.00 C ATOM 818 CE1 PHE A 52 2.754 0.711 7.518 1.00 0.00 C ATOM 819 CE2 PHE A 52 1.769 2.513 6.365 1.00 0.00 C ATOM 820 CZ PHE A 52 1.866 1.740 7.480 1.00 0.00 C ATOM 0 H PHE A 52 4.659 0.443 1.440 1.00 0.00 H new ATOM 0 HA PHE A 52 4.063 -1.225 3.834 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.397 0.787 4.408 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.368 1.796 3.412 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.283 -0.376 6.424 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.517 2.859 4.356 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.832 0.098 8.404 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.064 3.331 6.335 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.238 1.943 8.335 1.00 0.00 H new ATOM 830 N PHE A 53 1.679 -1.121 3.362 1.00 0.00 N ATOM 831 CA PHE A 53 0.253 -1.119 3.085 1.00 0.00 C ATOM 832 C PHE A 53 -0.504 -0.274 4.113 1.00 0.00 C ATOM 833 O PHE A 53 -0.664 -0.684 5.261 1.00 0.00 O ATOM 834 CB PHE A 53 -0.224 -2.569 3.185 1.00 0.00 C ATOM 835 CG PHE A 53 -0.063 -3.367 1.889 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.146 -3.419 1.268 1.00 0.00 C ATOM 837 CD2 PHE A 53 -1.130 -4.023 1.358 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.295 -4.160 0.066 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.980 -4.764 0.156 1.00 0.00 C ATOM 840 CZ PHE A 53 0.229 -4.817 -0.465 1.00 0.00 C ATOM 0 H PHE A 53 2.001 -1.900 3.936 1.00 0.00 H new ATOM 0 HA PHE A 53 0.066 -0.696 2.098 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.330 -3.069 3.979 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.274 -2.576 3.476 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.992 -2.897 1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.090 -3.980 1.850 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.255 -4.202 -0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.826 -5.286 -0.265 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.342 -5.381 -1.379 1.00 0.00 H new ATOM 850 N PHE A 54 -0.949 0.890 3.662 1.00 0.00 N ATOM 851 CA PHE A 54 -1.685 1.795 4.527 1.00 0.00 C ATOM 852 C PHE A 54 -2.913 1.106 5.125 1.00 0.00 C ATOM 853 O PHE A 54 -3.311 0.035 4.670 1.00 0.00 O ATOM 854 CB PHE A 54 -2.145 2.968 3.660 1.00 0.00 C ATOM 855 CG PHE A 54 -1.023 3.620 2.848 1.00 0.00 C ATOM 856 CD1 PHE A 54 0.170 3.898 3.438 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.220 3.920 1.536 1.00 0.00 C ATOM 858 CE1 PHE A 54 1.211 4.502 2.685 1.00 0.00 C ATOM 859 CE2 PHE A 54 -0.179 4.524 0.783 1.00 0.00 C ATOM 860 CZ PHE A 54 1.014 4.803 1.373 1.00 0.00 C ATOM 0 H PHE A 54 -0.814 1.227 2.709 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.049 2.122 5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.919 2.619 2.976 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.602 3.723 4.300 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.326 3.659 4.480 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.168 3.699 1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.159 4.722 3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.335 4.762 -0.259 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.805 5.264 0.800 1.00 0.00 H new ATOM 870 N GLY A 55 -3.479 1.748 6.137 1.00 0.00 N ATOM 871 CA GLY A 55 -4.653 1.210 6.801 1.00 0.00 C ATOM 872 C GLY A 55 -4.279 0.042 7.716 1.00 0.00 C ATOM 873 O GLY A 55 -4.482 0.108 8.927 1.00 0.00 O ATOM 0 H GLY A 55 -3.146 2.636 6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.136 1.994 7.385 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.375 0.876 6.056 1.00 0.00 H new ATOM 877 N SER A 56 -3.738 -1.000 7.101 1.00 0.00 N ATOM 878 CA SER A 56 -3.334 -2.180 7.845 1.00 0.00 C ATOM 879 C SER A 56 -1.961 -1.953 8.481 1.00 0.00 C ATOM 880 O SER A 56 -1.778 -2.194 9.673 1.00 0.00 O ATOM 881 CB SER A 56 -3.303 -3.416 6.943 1.00 0.00 C ATOM 882 OG SER A 56 -2.308 -3.311 5.928 1.00 0.00 O ATOM 0 H SER A 56 -3.570 -1.051 6.096 1.00 0.00 H new ATOM 0 HA SER A 56 -4.067 -2.356 8.632 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.111 -4.302 7.548 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.280 -3.552 6.480 1.00 0.00 H new ATOM 0 HG SER A 56 -1.680 -4.059 6.007 1.00 0.00 H new ATOM 888 N HIS A 57 -1.031 -1.492 7.657 1.00 0.00 N ATOM 889 CA HIS A 57 0.319 -1.230 8.124 1.00 0.00 C ATOM 890 C HIS A 57 1.126 -2.530 8.119 1.00 0.00 C ATOM 891 O HIS A 57 1.499 -3.037 9.176 1.00 0.00 O ATOM 892 CB HIS A 57 0.298 -0.551 9.495 1.00 0.00 C ATOM 893 CG HIS A 57 -0.769 0.508 9.639 1.00 0.00 C ATOM 894 ND1 HIS A 57 -1.315 0.861 10.862 1.00 0.00 N ATOM 895 CD2 HIS A 57 -1.385 1.287 8.704 1.00 0.00 C ATOM 896 CE1 HIS A 57 -2.217 1.810 10.658 1.00 0.00 C ATOM 897 NE2 HIS A 57 -2.259 2.072 9.320 1.00 0.00 N ATOM 0 H HIS A 57 -1.186 -1.293 6.669 1.00 0.00 H new ATOM 0 HA HIS A 57 0.813 -0.534 7.446 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.148 -1.310 10.263 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.272 -0.098 9.680 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.193 1.268 7.641 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.814 2.292 11.418 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.863 2.758 8.868 1.00 0.00 H new ATOM 905 N ASP A 58 1.371 -3.032 6.918 1.00 0.00 N ATOM 906 CA ASP A 58 2.126 -4.263 6.761 1.00 0.00 C ATOM 907 C ASP A 58 3.018 -4.155 5.523 1.00 0.00 C ATOM 908 O ASP A 58 2.604 -3.612 4.501 1.00 0.00 O ATOM 909 CB ASP A 58 1.193 -5.461 6.569 1.00 0.00 C ATOM 910 CG ASP A 58 -0.083 -5.428 7.411 1.00 0.00 C ATOM 911 OD1 ASP A 58 0.056 -5.336 8.650 1.00 0.00 O ATOM 912 OD2 ASP A 58 -1.170 -5.497 6.798 1.00 0.00 O ATOM 0 H ASP A 58 1.060 -2.608 6.044 1.00 0.00 H new ATOM 0 HA ASP A 58 2.721 -4.410 7.662 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.915 -5.521 5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.743 -6.372 6.805 1.00 0.00 H new ATOM 917 N TYR A 59 4.227 -4.682 5.656 1.00 0.00 N ATOM 918 CA TYR A 59 5.181 -4.651 4.561 1.00 0.00 C ATOM 919 C TYR A 59 5.178 -5.975 3.794 1.00 0.00 C ATOM 920 O TYR A 59 4.955 -7.034 4.378 1.00 0.00 O ATOM 921 CB TYR A 59 6.555 -4.452 5.204 1.00 0.00 C ATOM 922 CG TYR A 59 6.644 -3.224 6.114 1.00 0.00 C ATOM 923 CD1 TYR A 59 6.806 -1.969 5.564 1.00 0.00 C ATOM 924 CD2 TYR A 59 6.563 -3.373 7.483 1.00 0.00 C ATOM 925 CE1 TYR A 59 6.890 -0.814 6.420 1.00 0.00 C ATOM 926 CE2 TYR A 59 6.647 -2.218 8.339 1.00 0.00 C ATOM 927 CZ TYR A 59 6.806 -0.995 7.765 1.00 0.00 C ATOM 928 OH TYR A 59 6.885 0.096 8.573 1.00 0.00 O ATOM 0 H TYR A 59 4.567 -5.133 6.505 1.00 0.00 H new ATOM 0 HA TYR A 59 4.930 -3.858 3.856 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.806 -5.340 5.784 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.304 -4.363 4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.870 -1.853 4.492 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.437 -4.356 7.913 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.017 0.174 6.003 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.585 -2.320 9.412 1.00 0.00 H new ATOM 0 HH TYR A 59 6.809 -0.184 9.509 1.00 0.00 H new ATOM 938 N TYR A 60 5.427 -5.871 2.497 1.00 0.00 N ATOM 939 CA TYR A 60 5.456 -7.047 1.644 1.00 0.00 C ATOM 940 C TYR A 60 6.388 -6.834 0.449 1.00 0.00 C ATOM 941 O TYR A 60 6.544 -5.712 -0.029 1.00 0.00 O ATOM 942 CB TYR A 60 4.026 -7.232 1.133 1.00 0.00 C ATOM 943 CG TYR A 60 2.990 -7.431 2.242 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.060 -8.541 3.060 1.00 0.00 C ATOM 945 CD2 TYR A 60 1.987 -6.501 2.424 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.085 -8.728 4.103 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.013 -6.688 3.468 1.00 0.00 C ATOM 948 CZ TYR A 60 1.110 -7.793 4.256 1.00 0.00 C ATOM 949 OH TYR A 60 0.190 -7.970 5.242 1.00 0.00 O ATOM 0 H TYR A 60 5.611 -4.990 2.016 1.00 0.00 H new ATOM 0 HA TYR A 60 5.818 -7.914 2.197 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.747 -6.360 0.541 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.998 -8.093 0.465 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.845 -9.268 2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.932 -5.633 1.784 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.127 -9.592 4.750 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.223 -5.967 3.622 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.445 -7.224 5.235 1.00 0.00 H new ATOM 959 N TRP A 61 6.981 -7.930 0.000 1.00 0.00 N ATOM 960 CA TRP A 61 7.893 -7.878 -1.130 1.00 0.00 C ATOM 961 C TRP A 61 7.128 -8.328 -2.376 1.00 0.00 C ATOM 962 O TRP A 61 6.701 -9.478 -2.465 1.00 0.00 O ATOM 963 CB TRP A 61 9.146 -8.716 -0.863 1.00 0.00 C ATOM 964 CG TRP A 61 10.045 -8.155 0.240 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.011 -8.429 1.551 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.122 -7.208 0.074 1.00 0.00 C ATOM 967 NE1 TRP A 61 10.982 -7.731 2.240 1.00 0.00 N ATOM 968 CE2 TRP A 61 11.679 -6.965 1.312 1.00 0.00 C ATOM 969 CE3 TRP A 61 11.608 -6.578 -1.085 1.00 0.00 C ATOM 970 CZ2 TRP A 61 12.752 -6.088 1.511 1.00 0.00 C ATOM 971 CZ3 TRP A 61 12.681 -5.705 -0.870 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.253 -5.449 0.371 1.00 0.00 C ATOM 0 H TRP A 61 6.848 -8.860 0.398 1.00 0.00 H new ATOM 0 HA TRP A 61 8.251 -6.861 -1.289 1.00 0.00 H new ATOM 0 HB2 TRP A 61 8.843 -9.727 -0.592 1.00 0.00 H new ATOM 0 HB3 TRP A 61 9.723 -8.792 -1.785 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.311 -9.111 2.011 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.156 -7.770 3.244 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.187 -6.754 -2.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.171 -5.914 2.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.093 -5.195 -1.728 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.080 -4.760 0.455 1.00 0.00 H new ATOM 983 N VAL A 62 6.978 -7.398 -3.308 1.00 0.00 N ATOM 984 CA VAL A 62 6.272 -7.684 -4.545 1.00 0.00 C ATOM 985 C VAL A 62 7.022 -7.046 -5.715 1.00 0.00 C ATOM 986 O VAL A 62 7.340 -5.858 -5.679 1.00 0.00 O ATOM 987 CB VAL A 62 4.819 -7.216 -4.439 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.000 -8.164 -3.560 1.00 0.00 C ATOM 989 CG2 VAL A 62 4.743 -5.780 -3.915 1.00 0.00 C ATOM 0 H VAL A 62 7.334 -6.445 -3.231 1.00 0.00 H new ATOM 0 HA VAL A 62 6.241 -8.758 -4.727 1.00 0.00 H new ATOM 0 HB VAL A 62 4.388 -7.231 -5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.971 -7.808 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.014 -9.164 -3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.431 -8.195 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.700 -5.472 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.200 -5.729 -2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.275 -5.116 -4.596 1.00 0.00 H new ATOM 999 N HIS A 63 7.282 -7.862 -6.726 1.00 0.00 N ATOM 1000 CA HIS A 63 7.989 -7.391 -7.905 1.00 0.00 C ATOM 1001 C HIS A 63 7.402 -6.051 -8.354 1.00 0.00 C ATOM 1002 O HIS A 63 6.376 -5.614 -7.836 1.00 0.00 O ATOM 1003 CB HIS A 63 7.966 -8.449 -9.010 1.00 0.00 C ATOM 1004 CG HIS A 63 8.815 -8.101 -10.210 1.00 0.00 C ATOM 1005 ND1 HIS A 63 10.192 -7.986 -10.146 1.00 0.00 N ATOM 1006 CD2 HIS A 63 8.467 -7.847 -11.504 1.00 0.00 C ATOM 1007 CE1 HIS A 63 10.642 -7.674 -11.353 1.00 0.00 C ATOM 1008 NE2 HIS A 63 9.571 -7.589 -12.193 1.00 0.00 N ATOM 0 H HIS A 63 7.016 -8.846 -6.753 1.00 0.00 H new ATOM 0 HA HIS A 63 9.039 -7.225 -7.663 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.309 -9.398 -8.598 1.00 0.00 H new ATOM 0 HB3 HIS A 63 6.937 -8.597 -9.336 1.00 0.00 H new ATOM 0 HD2 HIS A 63 7.463 -7.855 -11.901 1.00 0.00 H new ATOM 0 HE1 HIS A 63 11.675 -7.515 -11.624 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.612 -7.364 -13.187 1.00 0.00 H new ATOM 1016 N GLN A 64 8.079 -5.437 -9.313 1.00 0.00 N ATOM 1017 CA GLN A 64 7.638 -4.156 -9.838 1.00 0.00 C ATOM 1018 C GLN A 64 7.029 -4.334 -11.230 1.00 0.00 C ATOM 1019 O GLN A 64 7.470 -5.186 -12.001 1.00 0.00 O ATOM 1020 CB GLN A 64 8.790 -3.150 -9.869 1.00 0.00 C ATOM 1021 CG GLN A 64 9.642 -3.329 -11.127 1.00 0.00 C ATOM 1022 CD GLN A 64 10.777 -2.304 -11.172 1.00 0.00 C ATOM 1023 OE1 GLN A 64 10.563 -1.103 -11.163 1.00 0.00 O ATOM 1024 NE2 GLN A 64 11.992 -2.843 -11.221 1.00 0.00 N ATOM 0 H GLN A 64 8.930 -5.803 -9.740 1.00 0.00 H new ATOM 0 HA GLN A 64 6.870 -3.759 -9.174 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.392 -2.136 -9.836 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.412 -3.277 -8.983 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.057 -4.337 -11.149 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.016 -3.222 -12.013 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.100 -3.857 -11.226 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.816 -2.242 -11.254 1.00 0.00 H new ATOM 1033 N GLY A 65 6.025 -3.517 -11.511 1.00 0.00 N ATOM 1034 CA GLY A 65 5.350 -3.574 -12.797 1.00 0.00 C ATOM 1035 C GLY A 65 3.851 -3.823 -12.619 1.00 0.00 C ATOM 1036 O GLY A 65 3.081 -3.699 -13.571 1.00 0.00 O ATOM 0 H GLY A 65 5.662 -2.811 -10.870 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.506 -2.639 -13.335 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.784 -4.368 -13.405 1.00 0.00 H new ATOM 1040 N ARG A 66 3.482 -4.169 -11.395 1.00 0.00 N ATOM 1041 CA ARG A 66 2.089 -4.436 -11.080 1.00 0.00 C ATOM 1042 C ARG A 66 1.520 -3.320 -10.202 1.00 0.00 C ATOM 1043 O ARG A 66 0.353 -3.364 -9.815 1.00 0.00 O ATOM 1044 CB ARG A 66 1.935 -5.775 -10.356 1.00 0.00 C ATOM 1045 CG ARG A 66 1.853 -6.932 -11.354 1.00 0.00 C ATOM 1046 CD ARG A 66 1.065 -8.106 -10.770 1.00 0.00 C ATOM 1047 NE ARG A 66 1.584 -9.382 -11.308 1.00 0.00 N ATOM 1048 CZ ARG A 66 1.354 -9.821 -12.553 1.00 0.00 C ATOM 1049 NH1 ARG A 66 0.612 -9.089 -13.396 1.00 0.00 N ATOM 1050 NH2 ARG A 66 1.866 -10.993 -12.956 1.00 0.00 N ATOM 0 H ARG A 66 4.124 -4.271 -10.609 1.00 0.00 H new ATOM 0 HA ARG A 66 1.539 -4.479 -12.020 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.780 -5.929 -9.684 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.036 -5.758 -9.739 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.376 -6.591 -12.273 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.858 -7.260 -11.619 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.143 -8.102 -9.683 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.008 -8.002 -11.014 1.00 0.00 H new ATOM 0 HE ARG A 66 2.153 -9.964 -10.693 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.222 -8.197 -13.090 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.437 -9.424 -14.344 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.431 -11.550 -12.315 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.691 -11.327 -13.904 1.00 0.00 H new ATOM 1064 N VAL A 67 2.370 -2.346 -9.912 1.00 0.00 N ATOM 1065 CA VAL A 67 1.966 -1.221 -9.087 1.00 0.00 C ATOM 1066 C VAL A 67 1.635 -0.027 -9.985 1.00 0.00 C ATOM 1067 O VAL A 67 2.294 0.191 -11.001 1.00 0.00 O ATOM 1068 CB VAL A 67 3.054 -0.910 -8.057 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.791 -2.184 -7.637 1.00 0.00 C ATOM 1070 CG2 VAL A 67 4.032 0.138 -8.591 1.00 0.00 C ATOM 0 H VAL A 67 3.337 -2.313 -10.234 1.00 0.00 H new ATOM 0 HA VAL A 67 1.064 -1.465 -8.525 1.00 0.00 H new ATOM 0 HB VAL A 67 2.569 -0.496 -7.173 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.559 -1.935 -6.905 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.083 -2.886 -7.196 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.257 -2.640 -8.511 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.795 0.340 -7.839 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.507 -0.236 -9.498 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.492 1.058 -8.817 1.00 0.00 H new ATOM 1080 N PHE A 68 0.615 0.714 -9.578 1.00 0.00 N ATOM 1081 CA PHE A 68 0.189 1.880 -10.333 1.00 0.00 C ATOM 1082 C PHE A 68 0.507 3.170 -9.576 1.00 0.00 C ATOM 1083 O PHE A 68 0.461 3.200 -8.347 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.326 1.767 -10.512 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.758 1.350 -11.920 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -1.887 0.033 -12.229 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -2.012 2.298 -12.862 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -2.287 -0.354 -13.536 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -2.413 1.912 -14.168 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.542 0.594 -14.477 1.00 0.00 C ATOM 0 H PHE A 68 0.071 0.530 -8.735 1.00 0.00 H new ATOM 0 HA PHE A 68 0.710 1.915 -11.290 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.713 1.043 -9.795 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.782 2.728 -10.273 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.685 -0.719 -11.481 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.909 3.345 -12.616 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.389 -1.401 -13.782 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.615 2.665 -14.916 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.847 0.300 -15.470 1.00 0.00 H new ATOM 1100 N PRO A 69 0.830 4.233 -10.361 1.00 0.00 N ATOM 1101 CA PRO A 69 1.155 5.523 -9.777 1.00 0.00 C ATOM 1102 C PRO A 69 -0.105 6.232 -9.277 1.00 0.00 C ATOM 1103 O PRO A 69 -1.087 6.350 -10.008 1.00 0.00 O ATOM 1104 CB PRO A 69 1.867 6.286 -10.882 1.00 0.00 C ATOM 1105 CG PRO A 69 1.505 5.579 -12.178 1.00 0.00 C ATOM 1106 CD PRO A 69 0.894 4.234 -11.819 1.00 0.00 C ATOM 0 HA PRO A 69 1.791 5.438 -8.896 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.549 7.328 -10.904 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.946 6.285 -10.725 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.800 6.177 -12.755 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.390 5.443 -12.799 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.097 4.119 -12.259 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.505 3.410 -12.189 1.00 0.00 H new ATOM 1114 N TYR A 70 -0.036 6.684 -8.033 1.00 0.00 N ATOM 1115 CA TYR A 70 -1.160 7.378 -7.427 1.00 0.00 C ATOM 1116 C TYR A 70 -1.141 8.867 -7.782 1.00 0.00 C ATOM 1117 O TYR A 70 -0.168 9.564 -7.498 1.00 0.00 O ATOM 1118 CB TYR A 70 -0.983 7.225 -5.915 1.00 0.00 C ATOM 1119 CG TYR A 70 -2.092 7.881 -5.089 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -2.077 9.244 -4.873 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -3.107 7.110 -4.560 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -3.120 9.862 -4.096 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -4.150 7.728 -3.783 1.00 0.00 C ATOM 1124 CZ TYR A 70 -4.105 9.073 -3.590 1.00 0.00 C ATOM 1125 OH TYR A 70 -5.090 9.657 -2.856 1.00 0.00 O ATOM 0 H TYR A 70 0.780 6.583 -7.429 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.104 6.964 -7.782 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.941 6.164 -5.670 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.025 7.657 -5.626 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.283 9.847 -5.287 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.119 6.043 -4.729 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.120 10.927 -3.919 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.950 7.136 -3.363 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.726 8.973 -2.559 1.00 0.00 H new ATOM 1135 N VAL A 71 -2.228 9.309 -8.396 1.00 0.00 N ATOM 1136 CA VAL A 71 -2.349 10.702 -8.793 1.00 0.00 C ATOM 1137 C VAL A 71 -3.063 11.482 -7.687 1.00 0.00 C ATOM 1138 O VAL A 71 -3.596 10.891 -6.750 1.00 0.00 O ATOM 1139 CB VAL A 71 -3.056 10.801 -10.146 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -2.877 12.193 -10.757 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -2.561 9.715 -11.104 1.00 0.00 C ATOM 0 H VAL A 71 -3.033 8.728 -8.629 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.364 11.149 -8.923 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.121 10.642 -9.980 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.389 12.237 -11.718 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.299 12.942 -10.087 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.815 12.393 -10.902 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.079 9.808 -12.058 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.488 9.830 -11.261 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.762 8.733 -10.676 1.00 0.00 H new ATOM 1151 N GLU A 72 -3.050 12.799 -7.833 1.00 0.00 N ATOM 1152 CA GLU A 72 -3.690 13.667 -6.859 1.00 0.00 C ATOM 1153 C GLU A 72 -4.770 14.516 -7.532 1.00 0.00 C ATOM 1154 O GLU A 72 -4.461 15.406 -8.323 1.00 0.00 O ATOM 1155 CB GLU A 72 -2.660 14.549 -6.152 1.00 0.00 C ATOM 1156 CG GLU A 72 -3.053 14.789 -4.692 1.00 0.00 C ATOM 1157 CD GLU A 72 -4.430 15.450 -4.597 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -4.589 16.522 -5.219 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -5.291 14.867 -3.903 1.00 0.00 O ATOM 0 H GLU A 72 -2.606 13.286 -8.611 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.166 13.043 -6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.679 14.075 -6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.576 15.504 -6.671 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.063 13.841 -4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.308 15.422 -4.210 1.00 0.00 H new ATOM 1367 N THR A 87 -11.499 0.177 7.387 1.00 0.00 N ATOM 1368 CA THR A 87 -10.049 0.231 7.307 1.00 0.00 C ATOM 1369 C THR A 87 -9.611 0.860 5.983 1.00 0.00 C ATOM 1370 O THR A 87 -8.749 1.738 5.964 1.00 0.00 O ATOM 1371 CB THR A 87 -9.512 -1.187 7.513 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.737 -1.446 8.896 1.00 0.00 O ATOM 1373 CG2 THR A 87 -7.991 -1.265 7.362 1.00 0.00 C ATOM 0 HA THR A 87 -9.633 0.869 8.087 1.00 0.00 H new ATOM 0 HB THR A 87 -9.983 -1.861 6.797 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.621 -1.109 9.152 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.662 -2.292 7.518 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.708 -0.941 6.360 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.518 -0.617 8.100 1.00 0.00 H new ATOM 1381 N PHE A 88 -10.224 0.387 4.908 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.909 0.893 3.583 1.00 0.00 C ATOM 1383 C PHE A 88 -9.818 2.420 3.586 1.00 0.00 C ATOM 1384 O PHE A 88 -8.830 2.988 3.123 1.00 0.00 O ATOM 1385 CB PHE A 88 -11.048 0.463 2.657 1.00 0.00 C ATOM 1386 CG PHE A 88 -10.797 0.766 1.179 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.730 0.212 0.543 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.640 1.590 0.501 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -9.497 0.493 -0.829 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -11.407 1.871 -0.872 1.00 0.00 C ATOM 1391 CZ PHE A 88 -10.340 1.317 -1.508 1.00 0.00 C ATOM 0 H PHE A 88 -10.938 -0.342 4.928 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.947 0.500 3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.213 -0.608 2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.965 0.963 2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.060 -0.442 1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.487 2.031 1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.650 0.052 -1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.077 2.525 -1.411 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.162 1.531 -2.551 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.863 3.042 4.113 1.00 0.00 N ATOM 1402 CA LYS A 89 -10.913 4.492 4.183 1.00 0.00 C ATOM 1403 C LYS A 89 -9.685 5.006 4.937 1.00 0.00 C ATOM 1404 O LYS A 89 -9.018 5.934 4.484 1.00 0.00 O ATOM 1405 CB LYS A 89 -12.242 4.954 4.785 1.00 0.00 C ATOM 1406 CG LYS A 89 -12.958 5.931 3.850 1.00 0.00 C ATOM 1407 CD LYS A 89 -14.106 6.639 4.572 1.00 0.00 C ATOM 1408 CE LYS A 89 -14.295 8.060 4.038 1.00 0.00 C ATOM 1409 NZ LYS A 89 -15.665 8.235 3.505 1.00 0.00 N ATOM 0 H LYS A 89 -11.681 2.568 4.495 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.876 4.922 3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.880 4.090 4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.062 5.432 5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.248 6.669 3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.345 5.394 2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -15.028 6.072 4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.902 6.673 5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.113 8.781 4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.565 8.260 3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.777 9.205 3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.825 7.559 2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.357 8.064 4.263 1.00 0.00 H new ATOM 1423 N LYS A 90 -9.424 4.379 6.074 1.00 0.00 N ATOM 1424 CA LYS A 90 -8.287 4.761 6.895 1.00 0.00 C ATOM 1425 C LYS A 90 -7.013 4.709 6.051 1.00 0.00 C ATOM 1426 O LYS A 90 -6.160 5.589 6.153 1.00 0.00 O ATOM 1427 CB LYS A 90 -8.224 3.898 8.157 1.00 0.00 C ATOM 1428 CG LYS A 90 -7.037 4.297 9.036 1.00 0.00 C ATOM 1429 CD LYS A 90 -7.343 4.056 10.515 1.00 0.00 C ATOM 1430 CE LYS A 90 -6.064 4.096 11.354 1.00 0.00 C ATOM 1431 NZ LYS A 90 -6.313 3.547 12.705 1.00 0.00 N ATOM 0 H LYS A 90 -9.980 3.609 6.447 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.397 5.788 7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.151 4.004 8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.139 2.847 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.156 3.724 8.745 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.800 5.349 8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.041 4.813 10.873 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.831 3.089 10.636 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.280 3.521 10.860 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.706 5.122 11.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.435 3.582 13.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.046 4.112 13.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.634 2.561 12.625 1.00 0.00 H new ATOM 1445 N ALA A 91 -6.924 3.668 5.235 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.767 3.490 4.373 1.00 0.00 C ATOM 1447 C ALA A 91 -5.745 4.601 3.321 1.00 0.00 C ATOM 1448 O ALA A 91 -4.685 5.137 3.002 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.808 2.095 3.747 1.00 0.00 C ATOM 0 H ALA A 91 -7.634 2.940 5.153 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.844 3.563 4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.941 1.961 3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.793 1.342 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.719 1.987 3.159 1.00 0.00 H new ATOM 1455 N LEU A 92 -6.927 4.914 2.812 1.00 0.00 N ATOM 1456 CA LEU A 92 -7.056 5.951 1.803 1.00 0.00 C ATOM 1457 C LEU A 92 -6.544 7.276 2.371 1.00 0.00 C ATOM 1458 O LEU A 92 -5.697 7.930 1.764 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.495 6.019 1.285 1.00 0.00 C ATOM 1460 CG LEU A 92 -8.980 4.804 0.492 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.505 4.692 0.539 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.452 4.840 -0.944 1.00 0.00 C ATOM 0 H LEU A 92 -7.804 4.468 3.080 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.440 5.716 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.160 6.161 2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.592 6.902 0.654 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.576 3.907 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.824 3.820 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.830 4.586 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.949 5.590 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.811 3.965 -1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.806 5.744 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.362 4.836 -0.931 1.00 0.00 H new ATOM 1474 N GLU A 93 -7.080 7.633 3.529 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.688 8.868 4.186 1.00 0.00 C ATOM 1476 C GLU A 93 -5.169 8.914 4.368 1.00 0.00 C ATOM 1477 O GLU A 93 -4.519 9.870 3.950 1.00 0.00 O ATOM 1478 CB GLU A 93 -7.406 9.028 5.527 1.00 0.00 C ATOM 1479 CG GLU A 93 -8.924 8.972 5.346 1.00 0.00 C ATOM 1480 CD GLU A 93 -9.637 9.763 6.445 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -9.125 9.739 7.585 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -10.678 10.374 6.120 1.00 0.00 O ATOM 0 H GLU A 93 -7.783 7.088 4.029 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.984 9.703 3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.088 8.240 6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.125 9.977 5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.193 9.376 4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.258 7.935 5.365 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.649 7.867 4.993 1.00 0.00 N ATOM 1490 CA GLU A 94 -3.219 7.776 5.236 1.00 0.00 C ATOM 1491 C GLU A 94 -2.448 7.922 3.923 1.00 0.00 C ATOM 1492 O GLU A 94 -1.547 8.753 3.818 1.00 0.00 O ATOM 1493 CB GLU A 94 -2.865 6.462 5.936 1.00 0.00 C ATOM 1494 CG GLU A 94 -2.850 6.639 7.456 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.553 6.092 8.058 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -1.320 4.875 7.893 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -0.825 6.903 8.669 1.00 0.00 O ATOM 0 H GLU A 94 -5.192 7.075 5.338 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.929 8.592 5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.588 5.694 5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.889 6.116 5.597 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.953 7.695 7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.705 6.124 7.894 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.829 7.103 2.955 1.00 0.00 N ATOM 1505 CA ALA A 95 -2.184 7.131 1.653 1.00 0.00 C ATOM 1506 C ALA A 95 -2.046 8.582 1.188 1.00 0.00 C ATOM 1507 O ALA A 95 -1.016 8.965 0.635 1.00 0.00 O ATOM 1508 CB ALA A 95 -2.985 6.277 0.668 1.00 0.00 C ATOM 0 H ALA A 95 -3.577 6.415 3.046 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.182 6.707 1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.501 6.298 -0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.029 5.250 1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.996 6.674 0.581 1.00 0.00 H new ATOM 1514 N ALA A 96 -3.098 9.350 1.430 1.00 0.00 N ATOM 1515 CA ALA A 96 -3.107 10.750 1.043 1.00 0.00 C ATOM 1516 C ALA A 96 -1.993 11.488 1.789 1.00 0.00 C ATOM 1517 O ALA A 96 -1.097 12.058 1.169 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.488 11.348 1.318 1.00 0.00 C ATOM 0 H ALA A 96 -3.950 9.029 1.889 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.914 10.854 -0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.494 12.399 1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.240 10.808 0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.716 11.264 2.381 1.00 0.00 H new ATOM 1524 N LYS A 97 -2.087 11.454 3.111 1.00 0.00 N ATOM 1525 CA LYS A 97 -1.099 12.112 3.948 1.00 0.00 C ATOM 1526 C LYS A 97 0.294 11.897 3.352 1.00 0.00 C ATOM 1527 O LYS A 97 0.939 12.849 2.915 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.226 11.641 5.398 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.347 12.831 6.353 1.00 0.00 C ATOM 1530 CD LYS A 97 -2.752 12.910 6.954 1.00 0.00 C ATOM 1531 CE LYS A 97 -2.815 13.963 8.063 1.00 0.00 C ATOM 1532 NZ LYS A 97 -3.474 13.409 9.267 1.00 0.00 N ATOM 0 H LYS A 97 -2.832 10.981 3.622 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.274 13.188 3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.100 10.998 5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.356 11.041 5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.611 12.738 7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.123 13.755 5.819 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.472 13.155 6.173 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.035 11.937 7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.808 14.297 8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.362 14.838 7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.508 14.136 10.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.442 13.112 9.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.936 12.588 9.611 1.00 0.00 H new ATOM 1546 N ARG A 98 0.716 10.642 3.352 1.00 0.00 N ATOM 1547 CA ARG A 98 2.020 10.290 2.816 1.00 0.00 C ATOM 1548 C ARG A 98 2.306 11.094 1.547 1.00 0.00 C ATOM 1549 O ARG A 98 3.258 11.872 1.502 1.00 0.00 O ATOM 1550 CB ARG A 98 2.098 8.796 2.494 1.00 0.00 C ATOM 1551 CG ARG A 98 2.708 8.015 3.660 1.00 0.00 C ATOM 1552 CD ARG A 98 4.204 8.309 3.794 1.00 0.00 C ATOM 1553 NE ARG A 98 4.822 7.364 4.750 1.00 0.00 N ATOM 1554 CZ ARG A 98 4.662 7.427 6.079 1.00 0.00 C ATOM 1555 NH1 ARG A 98 3.904 8.392 6.617 1.00 0.00 N ATOM 1556 NH2 ARG A 98 5.262 6.526 6.869 1.00 0.00 N ATOM 0 H ARG A 98 0.178 9.855 3.715 1.00 0.00 H new ATOM 0 HA ARG A 98 2.766 10.526 3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.100 8.414 2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.698 8.645 1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.197 8.279 4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.556 6.947 3.506 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.688 8.224 2.821 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.353 9.333 4.135 1.00 0.00 H new ATOM 0 HE ARG A 98 5.407 6.618 4.374 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.449 9.078 6.015 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.782 8.440 7.629 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.840 5.793 6.459 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.141 6.574 7.881 1.00 0.00 H new ATOM 1570 N PHE A 99 1.465 10.879 0.546 1.00 0.00 N ATOM 1571 CA PHE A 99 1.617 11.574 -0.721 1.00 0.00 C ATOM 1572 C PHE A 99 1.863 13.068 -0.501 1.00 0.00 C ATOM 1573 O PHE A 99 2.605 13.696 -1.255 1.00 0.00 O ATOM 1574 CB PHE A 99 0.306 11.393 -1.490 1.00 0.00 C ATOM 1575 CG PHE A 99 0.340 11.945 -2.916 1.00 0.00 C ATOM 1576 CD1 PHE A 99 0.830 11.181 -3.929 1.00 0.00 C ATOM 1577 CD2 PHE A 99 -0.120 13.199 -3.172 1.00 0.00 C ATOM 1578 CE1 PHE A 99 0.862 11.693 -5.253 1.00 0.00 C ATOM 1579 CE2 PHE A 99 -0.089 13.711 -4.496 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.402 12.948 -5.509 1.00 0.00 C ATOM 0 H PHE A 99 0.676 10.234 0.587 1.00 0.00 H new ATOM 0 HA PHE A 99 2.469 11.170 -1.267 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.063 10.331 -1.528 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.497 11.884 -0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.195 10.185 -3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.509 13.806 -2.368 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.251 11.086 -6.057 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.455 14.707 -4.699 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.427 13.338 -6.516 1.00 0.00 H new ATOM 1590 N GLN A 100 1.228 13.593 0.536 1.00 0.00 N ATOM 1591 CA GLN A 100 1.370 15.001 0.865 1.00 0.00 C ATOM 1592 C GLN A 100 2.685 15.243 1.608 1.00 0.00 C ATOM 1593 O GLN A 100 3.284 16.311 1.486 1.00 0.00 O ATOM 1594 CB GLN A 100 0.177 15.495 1.686 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.143 15.006 1.086 1.00 0.00 C ATOM 1596 CD GLN A 100 -1.984 16.181 0.582 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -2.160 17.184 1.254 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -2.492 16.000 -0.633 1.00 0.00 N ATOM 0 H GLN A 100 0.614 13.069 1.159 1.00 0.00 H new ATOM 0 HA GLN A 100 1.391 15.571 -0.064 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.267 15.141 2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.182 16.584 1.722 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.941 14.320 0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.703 14.448 1.836 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.305 15.135 -1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.069 16.726 -1.058 1.00 0.00 H new ATOM 1607 N GLU A 101 3.096 14.234 2.362 1.00 0.00 N ATOM 1608 CA GLU A 101 4.330 14.324 3.124 1.00 0.00 C ATOM 1609 C GLU A 101 5.539 14.218 2.193 1.00 0.00 C ATOM 1610 O GLU A 101 6.408 15.088 2.196 1.00 0.00 O ATOM 1611 CB GLU A 101 4.380 13.250 4.213 1.00 0.00 C ATOM 1612 CG GLU A 101 3.024 13.109 4.907 1.00 0.00 C ATOM 1613 CD GLU A 101 3.199 12.762 6.387 1.00 0.00 C ATOM 1614 OE1 GLU A 101 4.155 13.300 6.987 1.00 0.00 O ATOM 1615 OE2 GLU A 101 2.374 11.966 6.885 1.00 0.00 O ATOM 0 H GLU A 101 2.597 13.350 2.462 1.00 0.00 H new ATOM 0 HA GLU A 101 4.361 15.296 3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.669 12.295 3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.143 13.507 4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.464 14.039 4.812 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.438 12.333 4.415 1.00 0.00 H new ATOM 1622 N LEU A 102 5.555 13.144 1.417 1.00 0.00 N ATOM 1623 CA LEU A 102 6.643 12.912 0.482 1.00 0.00 C ATOM 1624 C LEU A 102 6.983 14.221 -0.233 1.00 0.00 C ATOM 1625 O LEU A 102 8.092 14.736 -0.100 1.00 0.00 O ATOM 1626 CB LEU A 102 6.298 11.764 -0.468 1.00 0.00 C ATOM 1627 CG LEU A 102 6.815 10.381 -0.066 1.00 0.00 C ATOM 1628 CD1 LEU A 102 6.344 10.008 1.341 1.00 0.00 C ATOM 1629 CD2 LEU A 102 6.420 9.326 -1.101 1.00 0.00 C ATOM 0 H LEU A 102 4.832 12.425 1.417 1.00 0.00 H new ATOM 0 HA LEU A 102 7.541 12.596 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.213 11.711 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.693 12.005 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 102 7.904 10.417 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.725 9.021 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.716 10.742 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.254 9.995 1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.800 8.352 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.334 9.283 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.845 9.590 -2.070 1.00 0.00 H new ATOM 1641 N LYS A 103 6.007 14.723 -0.976 1.00 0.00 N ATOM 1642 CA LYS A 103 6.188 15.963 -1.712 1.00 0.00 C ATOM 1643 C LYS A 103 6.579 17.076 -0.738 1.00 0.00 C ATOM 1644 O LYS A 103 7.562 17.782 -0.960 1.00 0.00 O ATOM 1645 CB LYS A 103 4.943 16.280 -2.541 1.00 0.00 C ATOM 1646 CG LYS A 103 3.719 16.473 -1.643 1.00 0.00 C ATOM 1647 CD LYS A 103 2.425 16.401 -2.455 1.00 0.00 C ATOM 1648 CE LYS A 103 1.615 17.691 -2.312 1.00 0.00 C ATOM 1649 NZ LYS A 103 2.317 18.818 -2.966 1.00 0.00 N ATOM 0 H LYS A 103 5.088 14.293 -1.084 1.00 0.00 H new ATOM 0 HA LYS A 103 7.003 15.866 -2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.113 17.182 -3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.756 15.471 -3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.709 15.707 -0.867 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.782 17.437 -1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.660 16.230 -3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.828 15.553 -2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.629 17.560 -2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.459 17.915 -1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.685 19.642 -3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.167 19.062 -2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.594 18.542 -3.930 1.00 0.00 H new