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=-0.00815 K(o=-0.0082,f=-1.4) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 14:sc= 1.04 USER MOD Single : A 31 ASN : amide:sc= -2.14 K(o=-2.1,f=-6.1!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.3 K(o=-1.3,f=-6.5!) USER MOD Single : A 40 GLN : amide:sc= -1.25 X(o=-1.2,f=-1.5) USER MOD Single : A 56 SER OG : rot 121:sc= -0.0409 USER MOD Single : A 57 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-0.74) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 171:sc= 0.0244 USER MOD Single : A 63 HIS : no HE2:sc= -4.18! C(o=-4.2!,f=-7.4!) USER MOD Single : A 64 GLN : amide:sc= -0.176 K(o=-0.18,f=-2.2!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 37:sc= 0.192 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= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0153) USER MOD ----------------------------------------------------------------- ATOM 124 N TYR A 11 11.763 4.669 -4.398 1.00 0.00 N ATOM 125 CA TYR A 11 11.330 4.595 -3.013 1.00 0.00 C ATOM 126 C TYR A 11 10.434 5.782 -2.655 1.00 0.00 C ATOM 127 O TYR A 11 10.293 6.718 -3.441 1.00 0.00 O ATOM 128 CB TYR A 11 12.604 4.660 -2.168 1.00 0.00 C ATOM 129 CG TYR A 11 13.499 3.426 -2.297 1.00 0.00 C ATOM 130 CD1 TYR A 11 12.959 2.164 -2.160 1.00 0.00 C ATOM 131 CD2 TYR A 11 14.847 3.575 -2.551 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.801 1.003 -2.281 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.690 2.414 -2.672 1.00 0.00 C ATOM 134 CZ TYR A 11 15.126 1.185 -2.531 1.00 0.00 C ATOM 135 OH TYR A 11 15.922 0.088 -2.645 1.00 0.00 O ATOM 0 HA TYR A 11 10.759 3.683 -2.838 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.175 5.542 -2.457 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.328 4.788 -1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.904 2.047 -1.962 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.270 4.563 -2.659 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.390 0.010 -2.176 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.747 2.517 -2.870 1.00 0.00 H new ATOM 0 HH TYR A 11 16.843 0.370 -2.825 1.00 0.00 H new ATOM 145 N LYS A 12 9.850 5.706 -1.468 1.00 0.00 N ATOM 146 CA LYS A 12 8.972 6.763 -0.996 1.00 0.00 C ATOM 147 C LYS A 12 8.105 7.255 -2.156 1.00 0.00 C ATOM 148 O LYS A 12 8.222 8.404 -2.580 1.00 0.00 O ATOM 149 CB LYS A 12 9.782 7.871 -0.320 1.00 0.00 C ATOM 150 CG LYS A 12 9.282 8.125 1.104 1.00 0.00 C ATOM 151 CD LYS A 12 9.863 7.100 2.080 1.00 0.00 C ATOM 152 CE LYS A 12 10.954 7.728 2.949 1.00 0.00 C ATOM 153 NZ LYS A 12 11.447 6.752 3.947 1.00 0.00 N ATOM 0 H LYS A 12 9.968 4.928 -0.819 1.00 0.00 H new ATOM 0 HA LYS A 12 8.295 6.383 -0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.836 7.593 -0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.708 8.788 -0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.562 9.131 1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.193 8.076 1.125 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.069 6.706 2.715 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.275 6.257 1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.779 8.063 2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.561 8.609 3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.187 7.194 4.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.660 6.452 4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.841 5.923 3.457 1.00 0.00 H new ATOM 167 N GLN A 13 7.253 6.361 -2.637 1.00 0.00 N ATOM 168 CA GLN A 13 6.366 6.690 -3.740 1.00 0.00 C ATOM 169 C GLN A 13 5.000 6.032 -3.537 1.00 0.00 C ATOM 170 O GLN A 13 4.913 4.821 -3.342 1.00 0.00 O ATOM 171 CB GLN A 13 6.980 6.277 -5.079 1.00 0.00 C ATOM 172 CG GLN A 13 5.973 6.445 -6.219 1.00 0.00 C ATOM 173 CD GLN A 13 6.658 6.306 -7.580 1.00 0.00 C ATOM 174 OE1 GLN A 13 7.872 6.247 -7.690 1.00 0.00 O ATOM 175 NE2 GLN A 13 5.815 6.258 -8.607 1.00 0.00 N ATOM 0 H GLN A 13 7.158 5.409 -2.283 1.00 0.00 H new ATOM 0 HA GLN A 13 6.227 7.771 -3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.865 6.881 -5.279 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.307 5.239 -5.028 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.185 5.697 -6.126 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.495 7.422 -6.146 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.810 6.313 -8.444 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.174 6.167 -9.557 1.00 0.00 H new ATOM 184 N ILE A 14 3.966 6.859 -3.590 1.00 0.00 N ATOM 185 CA ILE A 14 2.609 6.373 -3.415 1.00 0.00 C ATOM 186 C ILE A 14 2.171 5.627 -4.677 1.00 0.00 C ATOM 187 O ILE A 14 2.214 6.180 -5.775 1.00 0.00 O ATOM 188 CB ILE A 14 1.675 7.520 -3.024 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.276 8.354 -1.891 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.280 6.997 -2.674 1.00 0.00 C ATOM 191 CD1 ILE A 14 2.034 7.690 -0.534 1.00 0.00 C ATOM 0 H ILE A 14 4.042 7.863 -3.752 1.00 0.00 H new ATOM 0 HA ILE A 14 2.564 5.660 -2.591 1.00 0.00 H new ATOM 0 HB ILE A 14 1.564 8.179 -3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.347 8.477 -2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.836 9.351 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.364 7.833 -2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.142 6.482 -3.537 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.351 6.304 -1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.471 8.303 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.962 7.590 -0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.496 6.703 -0.524 1.00 0.00 H new ATOM 203 N VAL A 15 1.761 4.383 -4.479 1.00 0.00 N ATOM 204 CA VAL A 15 1.316 3.556 -5.588 1.00 0.00 C ATOM 205 C VAL A 15 0.208 2.618 -5.106 1.00 0.00 C ATOM 206 O VAL A 15 -0.029 2.496 -3.905 1.00 0.00 O ATOM 207 CB VAL A 15 2.507 2.812 -6.196 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.301 3.722 -7.135 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.408 2.233 -5.103 1.00 0.00 C ATOM 0 H VAL A 15 1.728 3.927 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 15 0.896 4.174 -6.382 1.00 0.00 H new ATOM 0 HB VAL A 15 2.117 1.981 -6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.142 3.168 -7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.654 4.065 -7.943 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.674 4.582 -6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.247 1.709 -5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.784 3.041 -4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.836 1.535 -4.491 1.00 0.00 H new ATOM 219 N TRP A 16 -0.442 1.979 -6.068 1.00 0.00 N ATOM 220 CA TRP A 16 -1.520 1.055 -5.757 1.00 0.00 C ATOM 221 C TRP A 16 -0.921 -0.348 -5.641 1.00 0.00 C ATOM 222 O TRP A 16 0.171 -0.604 -6.145 1.00 0.00 O ATOM 223 CB TRP A 16 -2.636 1.145 -6.799 1.00 0.00 C ATOM 224 CG TRP A 16 -3.480 2.417 -6.700 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.331 3.561 -7.382 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.618 2.629 -5.838 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.285 4.492 -7.023 1.00 0.00 N ATOM 228 CE2 TRP A 16 -5.092 3.907 -6.055 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.226 1.770 -4.906 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -6.195 4.440 -5.377 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.327 2.318 -4.237 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.817 3.602 -4.444 1.00 0.00 C ATOM 0 H TRP A 16 -0.243 2.083 -7.063 1.00 0.00 H new ATOM 0 HA TRP A 16 -1.988 1.313 -4.807 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.195 1.091 -7.794 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.289 0.279 -6.692 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.561 3.733 -8.120 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.380 5.435 -7.399 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.872 0.767 -4.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.547 5.444 -5.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.831 1.700 -3.509 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.674 3.952 -3.887 1.00 0.00 H new ATOM 243 N VAL A 17 -1.663 -1.220 -4.973 1.00 0.00 N ATOM 244 CA VAL A 17 -1.219 -2.590 -4.785 1.00 0.00 C ATOM 245 C VAL A 17 -2.320 -3.546 -5.249 1.00 0.00 C ATOM 246 O VAL A 17 -3.483 -3.384 -4.884 1.00 0.00 O ATOM 247 CB VAL A 17 -0.811 -2.812 -3.327 1.00 0.00 C ATOM 248 CG1 VAL A 17 -2.039 -3.043 -2.443 1.00 0.00 C ATOM 249 CG2 VAL A 17 0.178 -3.972 -3.205 1.00 0.00 C ATOM 0 H VAL A 17 -2.568 -1.004 -4.556 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.336 -2.792 -5.391 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.312 -1.908 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.721 -3.198 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.693 -2.173 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.579 -3.923 -2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.452 -4.108 -2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.284 -4.885 -3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.072 -3.751 -3.788 1.00 0.00 H new ATOM 259 N LYS A 18 -1.913 -4.522 -6.048 1.00 0.00 N ATOM 260 CA LYS A 18 -2.849 -5.505 -6.566 1.00 0.00 C ATOM 261 C LYS A 18 -3.104 -6.572 -5.501 1.00 0.00 C ATOM 262 O LYS A 18 -2.301 -7.488 -5.330 1.00 0.00 O ATOM 263 CB LYS A 18 -2.350 -6.071 -7.897 1.00 0.00 C ATOM 264 CG LYS A 18 -3.487 -6.745 -8.668 1.00 0.00 C ATOM 265 CD LYS A 18 -3.727 -6.050 -10.010 1.00 0.00 C ATOM 266 CE LYS A 18 -3.196 -6.898 -11.168 1.00 0.00 C ATOM 267 NZ LYS A 18 -3.537 -6.273 -12.466 1.00 0.00 N ATOM 0 H LYS A 18 -0.947 -4.653 -6.349 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.809 -5.038 -6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.923 -5.270 -8.500 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.553 -6.792 -7.714 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.245 -7.794 -8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.400 -6.720 -8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.794 -5.870 -10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.237 -5.076 -10.012 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.115 -7.005 -11.082 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.621 -7.900 -11.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.170 -6.861 -13.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.570 -6.193 -12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.111 -5.326 -12.518 1.00 0.00 H new ATOM 366 N TRP A 24 -7.882 -3.165 -4.857 1.00 0.00 N ATOM 367 CA TRP A 24 -6.896 -2.106 -4.988 1.00 0.00 C ATOM 368 C TRP A 24 -6.695 -1.474 -3.609 1.00 0.00 C ATOM 369 O TRP A 24 -7.655 -1.036 -2.977 1.00 0.00 O ATOM 370 CB TRP A 24 -7.318 -1.093 -6.054 1.00 0.00 C ATOM 371 CG TRP A 24 -7.203 -1.613 -7.488 1.00 0.00 C ATOM 372 CD1 TRP A 24 -8.190 -1.834 -8.367 1.00 0.00 C ATOM 373 CD2 TRP A 24 -5.987 -1.972 -8.177 1.00 0.00 C ATOM 374 NE1 TRP A 24 -7.700 -2.306 -9.568 1.00 0.00 N ATOM 375 CE2 TRP A 24 -6.318 -2.393 -9.449 1.00 0.00 C ATOM 376 CE3 TRP A 24 -4.651 -1.942 -7.740 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -5.370 -2.816 -10.388 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -3.715 -2.367 -8.690 1.00 0.00 C ATOM 379 CH2 TRP A 24 -4.032 -2.794 -9.975 1.00 0.00 C ATOM 0 HA TRP A 24 -5.942 -2.507 -5.329 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -8.350 -0.795 -5.868 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -6.704 -0.198 -5.953 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -9.237 -1.664 -8.162 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -8.251 -2.547 -10.392 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.369 -1.617 -6.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.655 -3.142 -11.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.673 -2.363 -8.405 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.250 -3.107 -10.651 1.00 0.00 H new ATOM 390 N TRP A 25 -5.440 -1.446 -3.183 1.00 0.00 N ATOM 391 CA TRP A 25 -5.101 -0.875 -1.891 1.00 0.00 C ATOM 392 C TRP A 25 -3.920 0.077 -2.091 1.00 0.00 C ATOM 393 O TRP A 25 -2.950 -0.264 -2.765 1.00 0.00 O ATOM 394 CB TRP A 25 -4.816 -1.973 -0.864 1.00 0.00 C ATOM 395 CG TRP A 25 -4.942 -1.513 0.589 1.00 0.00 C ATOM 396 CD1 TRP A 25 -4.025 -0.886 1.339 1.00 0.00 C ATOM 397 CD2 TRP A 25 -6.094 -1.670 1.444 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.499 -0.629 2.609 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.798 -1.121 2.675 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.345 -2.257 1.186 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.701 -1.104 3.745 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.237 -2.233 2.265 1.00 0.00 C ATOM 403 CH2 TRP A 25 -7.954 -1.684 3.511 1.00 0.00 C ATOM 0 H TRP A 25 -4.646 -1.810 -3.710 1.00 0.00 H new ATOM 0 HA TRP A 25 -5.940 -0.309 -1.487 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.504 -2.802 -1.033 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -3.809 -2.356 -1.027 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -3.038 -0.616 0.993 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.990 -0.164 3.361 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.598 -2.692 0.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.445 -0.667 4.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.213 -2.672 2.119 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.697 -1.705 4.294 1.00 0.00 H new ATOM 414 N PRO A 26 -4.045 1.284 -1.476 1.00 0.00 N ATOM 415 CA PRO A 26 -3.000 2.288 -1.579 1.00 0.00 C ATOM 416 C PRO A 26 -1.802 1.925 -0.699 1.00 0.00 C ATOM 417 O PRO A 26 -1.971 1.414 0.407 1.00 0.00 O ATOM 418 CB PRO A 26 -3.665 3.592 -1.167 1.00 0.00 C ATOM 419 CG PRO A 26 -4.921 3.197 -0.407 1.00 0.00 C ATOM 420 CD PRO A 26 -5.180 1.722 -0.668 1.00 0.00 C ATOM 0 HA PRO A 26 -2.590 2.366 -2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.001 4.188 -0.541 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.910 4.198 -2.039 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.794 3.379 0.660 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.770 3.797 -0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.243 1.160 0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.122 1.573 -1.195 1.00 0.00 H new ATOM 428 N ALA A 27 -0.617 2.203 -1.224 1.00 0.00 N ATOM 429 CA ALA A 27 0.609 1.912 -0.501 1.00 0.00 C ATOM 430 C ALA A 27 1.734 2.800 -1.036 1.00 0.00 C ATOM 431 O ALA A 27 1.615 3.376 -2.116 1.00 0.00 O ATOM 432 CB ALA A 27 0.933 0.422 -0.625 1.00 0.00 C ATOM 0 H ALA A 27 -0.480 2.627 -2.142 1.00 0.00 H new ATOM 0 HA ALA A 27 0.491 2.133 0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.853 0.203 -0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.116 -0.164 -0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.061 0.164 -1.676 1.00 0.00 H new ATOM 438 N GLU A 28 2.801 2.883 -0.255 1.00 0.00 N ATOM 439 CA GLU A 28 3.947 3.691 -0.636 1.00 0.00 C ATOM 440 C GLU A 28 5.231 2.863 -0.554 1.00 0.00 C ATOM 441 O GLU A 28 5.527 2.270 0.482 1.00 0.00 O ATOM 442 CB GLU A 28 4.047 4.945 0.234 1.00 0.00 C ATOM 443 CG GLU A 28 5.466 5.518 0.208 1.00 0.00 C ATOM 444 CD GLU A 28 6.219 5.175 1.495 1.00 0.00 C ATOM 445 OE1 GLU A 28 5.689 5.522 2.573 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.307 4.572 1.372 1.00 0.00 O ATOM 0 H GLU A 28 2.896 2.404 0.640 1.00 0.00 H new ATOM 0 HA GLU A 28 3.812 4.015 -1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.341 5.696 -0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.767 4.704 1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.007 5.121 -0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.423 6.600 0.085 1.00 0.00 H new ATOM 453 N ILE A 29 5.960 2.849 -1.661 1.00 0.00 N ATOM 454 CA ILE A 29 7.205 2.103 -1.727 1.00 0.00 C ATOM 455 C ILE A 29 8.171 2.636 -0.667 1.00 0.00 C ATOM 456 O ILE A 29 8.434 3.836 -0.609 1.00 0.00 O ATOM 457 CB ILE A 29 7.774 2.135 -3.147 1.00 0.00 C ATOM 458 CG1 ILE A 29 6.822 1.455 -4.134 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.176 1.525 -3.190 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.301 1.641 -5.575 1.00 0.00 C ATOM 0 H ILE A 29 5.712 3.342 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 29 7.031 1.051 -1.501 1.00 0.00 H new ATOM 0 HB ILE A 29 7.867 3.177 -3.455 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.753 0.392 -3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.820 1.870 -4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.557 1.560 -4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.839 2.091 -2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.132 0.489 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.607 1.148 -6.256 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.345 2.705 -5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.293 1.203 -5.688 1.00 0.00 H new ATOM 472 N CYS A 30 8.671 1.718 0.147 1.00 0.00 N ATOM 473 CA CYS A 30 9.602 2.081 1.203 1.00 0.00 C ATOM 474 C CYS A 30 10.983 1.536 0.833 1.00 0.00 C ATOM 475 O CYS A 30 11.131 0.835 -0.167 1.00 0.00 O ATOM 476 CB CYS A 30 9.134 1.572 2.568 1.00 0.00 C ATOM 477 SG CYS A 30 8.166 2.870 3.421 1.00 0.00 S ATOM 0 H CYS A 30 8.449 0.724 0.097 1.00 0.00 H new ATOM 0 HA CYS A 30 9.652 3.166 1.291 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.526 0.676 2.442 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.994 1.290 3.175 1.00 0.00 H new ATOM 0 HG CYS A 30 7.844 3.800 2.572 1.00 0.00 H new ATOM 483 N ASN A 31 11.960 1.879 1.660 1.00 0.00 N ATOM 484 CA ASN A 31 13.324 1.434 1.433 1.00 0.00 C ATOM 485 C ASN A 31 13.613 0.219 2.317 1.00 0.00 C ATOM 486 O ASN A 31 12.969 0.030 3.348 1.00 0.00 O ATOM 487 CB ASN A 31 14.328 2.530 1.793 1.00 0.00 C ATOM 488 CG ASN A 31 14.023 3.824 1.036 1.00 0.00 C ATOM 489 OD1 ASN A 31 12.888 4.261 0.935 1.00 0.00 O ATOM 490 ND2 ASN A 31 15.095 4.410 0.511 1.00 0.00 N ATOM 0 H ASN A 31 11.834 2.460 2.489 1.00 0.00 H new ATOM 0 HA ASN A 31 13.426 1.185 0.377 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.298 2.717 2.866 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.338 2.195 1.556 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.996 5.279 -0.014 1.00 0.00 H new ATOM 0 HD22 ASN A 31 16.017 3.991 0.633 1.00 0.00 H new ATOM 497 N PRO A 32 14.607 -0.594 1.870 1.00 0.00 N ATOM 498 CA PRO A 32 14.989 -1.786 2.609 1.00 0.00 C ATOM 499 C PRO A 32 15.800 -1.422 3.854 1.00 0.00 C ATOM 500 O PRO A 32 15.913 -2.222 4.781 1.00 0.00 O ATOM 501 CB PRO A 32 15.772 -2.630 1.616 1.00 0.00 C ATOM 502 CG PRO A 32 16.196 -1.682 0.507 1.00 0.00 C ATOM 503 CD PRO A 32 15.391 -0.402 0.653 1.00 0.00 C ATOM 0 HA PRO A 32 14.130 -2.338 2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.639 -3.088 2.091 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.158 -3.441 1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.263 -1.471 0.573 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.020 -2.134 -0.469 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.042 0.468 0.735 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.747 -0.238 -0.211 1.00 0.00 H new ATOM 511 N ARG A 33 16.343 -0.213 3.836 1.00 0.00 N ATOM 512 CA ARG A 33 17.140 0.267 4.952 1.00 0.00 C ATOM 513 C ARG A 33 16.243 0.938 5.994 1.00 0.00 C ATOM 514 O ARG A 33 16.658 1.144 7.134 1.00 0.00 O ATOM 515 CB ARG A 33 18.200 1.264 4.483 1.00 0.00 C ATOM 516 CG ARG A 33 19.143 0.623 3.463 1.00 0.00 C ATOM 517 CD ARG A 33 20.255 -0.163 4.162 1.00 0.00 C ATOM 518 NE ARG A 33 21.574 0.421 3.829 1.00 0.00 N ATOM 519 CZ ARG A 33 22.744 -0.077 4.252 1.00 0.00 C ATOM 520 NH1 ARG A 33 22.766 -1.170 5.026 1.00 0.00 N ATOM 521 NH2 ARG A 33 23.891 0.519 3.900 1.00 0.00 N ATOM 0 H ARG A 33 16.246 0.448 3.066 1.00 0.00 H new ATOM 0 HA ARG A 33 17.640 -0.593 5.398 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.715 2.134 4.039 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.773 1.621 5.339 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.579 -0.042 2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.581 1.396 2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.102 -0.144 5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.222 -1.208 3.853 1.00 0.00 H new ATOM 0 HE ARG A 33 21.593 1.254 3.241 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.892 -1.623 5.293 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.657 -1.549 5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.873 1.351 3.310 1.00 0.00 H new ATOM 0 HH22 ARG A 33 24.782 0.141 4.222 1.00 0.00 H new ATOM 535 N SER A 34 15.031 1.260 5.566 1.00 0.00 N ATOM 536 CA SER A 34 14.073 1.904 6.449 1.00 0.00 C ATOM 537 C SER A 34 13.350 0.852 7.292 1.00 0.00 C ATOM 538 O SER A 34 13.395 0.899 8.521 1.00 0.00 O ATOM 539 CB SER A 34 13.062 2.733 5.653 1.00 0.00 C ATOM 540 OG SER A 34 13.056 4.099 6.058 1.00 0.00 O ATOM 0 H SER A 34 14.691 1.087 4.620 1.00 0.00 H new ATOM 0 HA SER A 34 14.616 2.579 7.110 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.298 2.671 4.591 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.065 2.312 5.783 1.00 0.00 H new ATOM 0 HG SER A 34 12.399 4.595 5.526 1.00 0.00 H new ATOM 546 N VAL A 35 12.700 -0.071 6.600 1.00 0.00 N ATOM 547 CA VAL A 35 11.968 -1.133 7.270 1.00 0.00 C ATOM 548 C VAL A 35 12.913 -1.879 8.215 1.00 0.00 C ATOM 549 O VAL A 35 14.129 -1.846 8.037 1.00 0.00 O ATOM 550 CB VAL A 35 11.310 -2.049 6.236 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.474 -1.241 5.241 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.357 -2.898 5.511 1.00 0.00 C ATOM 0 H VAL A 35 12.665 -0.106 5.581 1.00 0.00 H new ATOM 0 HA VAL A 35 11.162 -0.719 7.876 1.00 0.00 H new ATOM 0 HB VAL A 35 10.639 -2.725 6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.017 -1.916 4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.693 -0.701 5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.115 -0.530 4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.863 -3.540 4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 35 13.064 -2.245 5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.890 -3.514 6.235 1.00 0.00 H new ATOM 562 N PRO A 36 12.300 -2.552 9.226 1.00 0.00 N ATOM 563 CA PRO A 36 13.073 -3.305 10.199 1.00 0.00 C ATOM 564 C PRO A 36 13.590 -4.612 9.596 1.00 0.00 C ATOM 565 O PRO A 36 13.114 -5.048 8.548 1.00 0.00 O ATOM 566 CB PRO A 36 12.126 -3.524 11.368 1.00 0.00 C ATOM 567 CG PRO A 36 10.727 -3.294 10.821 1.00 0.00 C ATOM 568 CD PRO A 36 10.862 -2.613 9.468 1.00 0.00 C ATOM 0 HA PRO A 36 13.970 -2.777 10.523 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.227 -4.532 11.769 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.345 -2.834 12.183 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.196 -4.241 10.721 1.00 0.00 H new ATOM 0 HG3 PRO A 36 10.147 -2.674 11.504 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.353 -3.178 8.688 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.420 -1.617 9.480 1.00 0.00 H new ATOM 576 N LEU A 37 14.557 -5.202 10.282 1.00 0.00 N ATOM 577 CA LEU A 37 15.144 -6.451 9.827 1.00 0.00 C ATOM 578 C LEU A 37 14.031 -7.470 9.573 1.00 0.00 C ATOM 579 O LEU A 37 14.104 -8.252 8.627 1.00 0.00 O ATOM 580 CB LEU A 37 16.207 -6.935 10.815 1.00 0.00 C ATOM 581 CG LEU A 37 17.662 -6.728 10.391 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.989 -7.544 9.138 1.00 0.00 C ATOM 583 CD2 LEU A 37 17.972 -5.241 10.203 1.00 0.00 C ATOM 0 H LEU A 37 14.949 -4.838 11.150 1.00 0.00 H new ATOM 0 HA LEU A 37 15.665 -6.305 8.881 1.00 0.00 H new ATOM 0 HB2 LEU A 37 16.050 -6.424 11.765 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.050 -7.999 10.995 1.00 0.00 H new ATOM 0 HG LEU A 37 18.306 -7.093 11.191 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.029 -7.379 8.858 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.832 -8.603 9.342 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.339 -7.232 8.321 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.013 -5.122 9.902 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.321 -4.828 9.432 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.803 -4.713 11.141 1.00 0.00 H new ATOM 595 N ASN A 38 13.026 -7.427 10.435 1.00 0.00 N ATOM 596 CA ASN A 38 11.899 -8.337 10.316 1.00 0.00 C ATOM 597 C ASN A 38 11.496 -8.453 8.844 1.00 0.00 C ATOM 598 O ASN A 38 11.363 -9.557 8.319 1.00 0.00 O ATOM 599 CB ASN A 38 10.689 -7.820 11.097 1.00 0.00 C ATOM 600 CG ASN A 38 9.496 -8.767 10.950 1.00 0.00 C ATOM 601 OD1 ASN A 38 8.885 -8.878 9.900 1.00 0.00 O ATOM 602 ND2 ASN A 38 9.201 -9.441 12.058 1.00 0.00 N ATOM 0 H ASN A 38 12.968 -6.777 11.219 1.00 0.00 H new ATOM 0 HA ASN A 38 12.202 -9.304 10.718 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.949 -7.717 12.151 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.417 -6.828 10.738 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.422 -10.099 12.062 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.754 -9.300 12.903 1.00 0.00 H new ATOM 609 N ILE A 39 11.314 -7.299 8.221 1.00 0.00 N ATOM 610 CA ILE A 39 10.929 -7.257 6.820 1.00 0.00 C ATOM 611 C ILE A 39 12.117 -7.687 5.957 1.00 0.00 C ATOM 612 O ILE A 39 12.011 -8.629 5.173 1.00 0.00 O ATOM 613 CB ILE A 39 10.372 -5.879 6.458 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.362 -5.403 7.505 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.779 -5.881 5.048 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.357 -6.507 7.838 1.00 0.00 C ATOM 0 H ILE A 39 11.426 -6.385 8.660 1.00 0.00 H new ATOM 0 HA ILE A 39 10.121 -7.962 6.625 1.00 0.00 H new ATOM 0 HB ILE A 39 11.196 -5.166 6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.887 -5.099 8.410 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.834 -4.525 7.133 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.390 -4.890 4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.554 -6.145 4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.970 -6.610 4.994 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.651 -6.143 8.584 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.817 -6.792 6.935 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.887 -7.374 8.232 1.00 0.00 H new ATOM 628 N GLN A 40 13.221 -6.975 6.130 1.00 0.00 N ATOM 629 CA GLN A 40 14.428 -7.271 5.376 1.00 0.00 C ATOM 630 C GLN A 40 14.623 -8.784 5.260 1.00 0.00 C ATOM 631 O GLN A 40 14.848 -9.302 4.167 1.00 0.00 O ATOM 632 CB GLN A 40 15.650 -6.608 6.014 1.00 0.00 C ATOM 633 CG GLN A 40 15.496 -5.086 6.040 1.00 0.00 C ATOM 634 CD GLN A 40 16.853 -4.401 6.218 1.00 0.00 C ATOM 635 OE1 GLN A 40 17.831 -4.723 5.563 1.00 0.00 O ATOM 636 NE2 GLN A 40 16.858 -3.442 7.139 1.00 0.00 N ATOM 0 H GLN A 40 13.305 -6.194 6.781 1.00 0.00 H new ATOM 0 HA GLN A 40 14.316 -6.860 4.373 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.782 -6.981 7.030 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.547 -6.877 5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.033 -4.748 5.113 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.830 -4.798 6.853 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.004 -3.223 7.652 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.716 -2.926 7.333 1.00 0.00 H new ATOM 645 N GLY A 41 14.530 -9.450 6.401 1.00 0.00 N ATOM 646 CA GLY A 41 14.694 -10.893 6.441 1.00 0.00 C ATOM 647 C GLY A 41 13.906 -11.566 5.315 1.00 0.00 C ATOM 648 O GLY A 41 14.367 -12.544 4.728 1.00 0.00 O ATOM 0 H GLY A 41 14.343 -9.017 7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.751 -11.145 6.351 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.356 -11.274 7.405 1.00 0.00 H new ATOM 652 N LEU A 42 12.731 -11.015 5.047 1.00 0.00 N ATOM 653 CA LEU A 42 11.875 -11.550 4.002 1.00 0.00 C ATOM 654 C LEU A 42 12.726 -11.894 2.778 1.00 0.00 C ATOM 655 O LEU A 42 13.707 -11.211 2.487 1.00 0.00 O ATOM 656 CB LEU A 42 10.729 -10.582 3.701 1.00 0.00 C ATOM 657 CG LEU A 42 9.798 -10.261 4.872 1.00 0.00 C ATOM 658 CD1 LEU A 42 9.035 -8.958 4.625 1.00 0.00 C ATOM 659 CD2 LEU A 42 8.855 -11.431 5.160 1.00 0.00 C ATOM 0 H LEU A 42 12.352 -10.204 5.535 1.00 0.00 H new ATOM 0 HA LEU A 42 11.403 -12.475 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.155 -9.648 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.131 -10.999 2.891 1.00 0.00 H new ATOM 0 HG LEU A 42 10.409 -10.113 5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.381 -8.753 5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.744 -8.138 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.436 -9.053 3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.204 -11.176 5.997 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.249 -11.635 4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.439 -12.316 5.411 1.00 0.00 H new ATOM 748 N ASP A 48 11.962 -6.491 -7.068 1.00 0.00 N ATOM 749 CA ASP A 48 10.940 -6.296 -6.054 1.00 0.00 C ATOM 750 C ASP A 48 11.499 -5.414 -4.936 1.00 0.00 C ATOM 751 O ASP A 48 12.705 -5.397 -4.698 1.00 0.00 O ATOM 752 CB ASP A 48 10.515 -7.630 -5.436 1.00 0.00 C ATOM 753 CG ASP A 48 10.094 -8.703 -6.442 1.00 0.00 C ATOM 754 OD1 ASP A 48 10.756 -8.782 -7.499 1.00 0.00 O ATOM 755 OD2 ASP A 48 9.118 -9.421 -6.131 1.00 0.00 O ATOM 0 HA ASP A 48 10.078 -5.828 -6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.341 -8.017 -4.839 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.686 -7.449 -4.752 1.00 0.00 H new ATOM 760 N PHE A 49 10.594 -4.703 -4.279 1.00 0.00 N ATOM 761 CA PHE A 49 10.982 -3.820 -3.192 1.00 0.00 C ATOM 762 C PHE A 49 9.939 -3.840 -2.072 1.00 0.00 C ATOM 763 O PHE A 49 8.790 -4.215 -2.295 1.00 0.00 O ATOM 764 CB PHE A 49 11.065 -2.407 -3.771 1.00 0.00 C ATOM 765 CG PHE A 49 9.939 -2.068 -4.750 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.678 -1.855 -4.289 1.00 0.00 C ATOM 767 CD2 PHE A 49 10.201 -1.980 -6.082 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.633 -1.541 -5.198 1.00 0.00 C ATOM 769 CE2 PHE A 49 9.156 -1.666 -6.991 1.00 0.00 C ATOM 770 CZ PHE A 49 7.894 -1.453 -6.530 1.00 0.00 C ATOM 0 H PHE A 49 9.594 -4.720 -4.478 1.00 0.00 H new ATOM 0 HA PHE A 49 11.934 -4.143 -2.771 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.049 -1.688 -2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.022 -2.289 -4.279 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.471 -1.925 -3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.203 -2.149 -6.448 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.631 -1.372 -4.832 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.363 -1.596 -8.049 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.100 -1.214 -7.221 1.00 0.00 H new ATOM 780 N PRO A 50 10.390 -3.419 -0.860 1.00 0.00 N ATOM 781 CA PRO A 50 9.510 -3.384 0.296 1.00 0.00 C ATOM 782 C PRO A 50 8.538 -2.205 0.209 1.00 0.00 C ATOM 783 O PRO A 50 8.955 -1.065 0.013 1.00 0.00 O ATOM 784 CB PRO A 50 10.438 -3.301 1.496 1.00 0.00 C ATOM 785 CG PRO A 50 11.777 -2.826 0.955 1.00 0.00 C ATOM 786 CD PRO A 50 11.745 -2.966 -0.558 1.00 0.00 C ATOM 0 HA PRO A 50 8.871 -4.264 0.365 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.050 -2.608 2.242 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.535 -4.272 1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.957 -1.789 1.239 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.590 -3.417 1.376 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.964 -2.017 -1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.489 -3.683 -0.905 1.00 0.00 H new ATOM 794 N VAL A 51 7.260 -2.521 0.360 1.00 0.00 N ATOM 795 CA VAL A 51 6.226 -1.502 0.302 1.00 0.00 C ATOM 796 C VAL A 51 5.359 -1.589 1.560 1.00 0.00 C ATOM 797 O VAL A 51 5.143 -2.674 2.096 1.00 0.00 O ATOM 798 CB VAL A 51 5.420 -1.649 -0.991 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.325 -1.526 -2.218 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.647 -2.969 -1.008 1.00 0.00 C ATOM 0 H VAL A 51 6.917 -3.468 0.522 1.00 0.00 H new ATOM 0 HA VAL A 51 6.670 -0.507 0.282 1.00 0.00 H new ATOM 0 HB VAL A 51 4.694 -0.836 -1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.727 -1.634 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.809 -0.549 -2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.085 -2.307 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.083 -3.048 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.347 -3.801 -0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.960 -2.999 -0.163 1.00 0.00 H new ATOM 810 N PHE A 52 4.886 -0.430 1.994 1.00 0.00 N ATOM 811 CA PHE A 52 4.048 -0.361 3.179 1.00 0.00 C ATOM 812 C PHE A 52 2.580 -0.157 2.801 1.00 0.00 C ATOM 813 O PHE A 52 2.239 0.804 2.114 1.00 0.00 O ATOM 814 CB PHE A 52 4.524 0.844 3.994 1.00 0.00 C ATOM 815 CG PHE A 52 3.799 1.017 5.330 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.937 0.080 6.306 1.00 0.00 C ATOM 817 CD2 PHE A 52 3.016 2.109 5.542 1.00 0.00 C ATOM 818 CE1 PHE A 52 3.263 0.241 7.545 1.00 0.00 C ATOM 819 CE2 PHE A 52 2.342 2.270 6.782 1.00 0.00 C ATOM 820 CZ PHE A 52 2.480 1.332 7.757 1.00 0.00 C ATOM 0 H PHE A 52 5.067 0.469 1.546 1.00 0.00 H new ATOM 0 HA PHE A 52 4.125 -1.290 3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.593 0.743 4.183 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.390 1.748 3.400 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.559 -0.787 6.138 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.907 2.854 4.767 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.372 -0.504 8.320 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.720 3.137 6.950 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.968 1.454 8.700 1.00 0.00 H new ATOM 830 N PHE A 53 1.749 -1.079 3.266 1.00 0.00 N ATOM 831 CA PHE A 53 0.325 -1.013 2.985 1.00 0.00 C ATOM 832 C PHE A 53 -0.411 -0.220 4.067 1.00 0.00 C ATOM 833 O PHE A 53 -0.493 -0.656 5.214 1.00 0.00 O ATOM 834 CB PHE A 53 -0.197 -2.451 2.981 1.00 0.00 C ATOM 835 CG PHE A 53 0.206 -3.255 1.743 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.520 -3.407 1.428 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.751 -3.818 0.957 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.894 -4.153 0.279 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.377 -4.564 -0.192 1.00 0.00 C ATOM 840 CZ PHE A 53 0.937 -4.716 -0.507 1.00 0.00 C ATOM 0 H PHE A 53 2.035 -1.876 3.835 1.00 0.00 H new ATOM 0 HA PHE A 53 0.157 -0.516 2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.171 -2.963 3.870 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.285 -2.432 3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.280 -2.960 2.052 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.795 -3.698 1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.938 -4.273 0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.137 -5.011 -0.816 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.221 -5.284 -1.381 1.00 0.00 H new ATOM 850 N PHE A 54 -0.928 0.931 3.663 1.00 0.00 N ATOM 851 CA PHE A 54 -1.654 1.790 4.583 1.00 0.00 C ATOM 852 C PHE A 54 -2.850 1.054 5.191 1.00 0.00 C ATOM 853 O PHE A 54 -3.274 0.020 4.677 1.00 0.00 O ATOM 854 CB PHE A 54 -2.163 2.984 3.774 1.00 0.00 C ATOM 855 CG PHE A 54 -1.075 3.703 2.974 1.00 0.00 C ATOM 856 CD1 PHE A 54 0.053 4.138 3.598 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.234 3.906 1.639 1.00 0.00 C ATOM 858 CE1 PHE A 54 1.063 4.805 2.856 1.00 0.00 C ATOM 859 CE2 PHE A 54 -0.224 4.574 0.897 1.00 0.00 C ATOM 860 CZ PHE A 54 0.903 5.009 1.521 1.00 0.00 C ATOM 0 H PHE A 54 -0.858 1.289 2.710 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.999 2.100 5.397 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.937 2.641 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.631 3.697 4.453 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.180 3.976 4.658 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.128 3.559 1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.958 5.150 3.352 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.351 4.737 -0.163 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.671 5.517 0.956 1.00 0.00 H new ATOM 870 N GLY A 55 -3.359 1.615 6.278 1.00 0.00 N ATOM 871 CA GLY A 55 -4.498 1.026 6.961 1.00 0.00 C ATOM 872 C GLY A 55 -4.071 -0.186 7.792 1.00 0.00 C ATOM 873 O GLY A 55 -4.300 -0.226 9.000 1.00 0.00 O ATOM 0 H GLY A 55 -3.003 2.471 6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.963 1.770 7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.249 0.725 6.231 1.00 0.00 H new ATOM 877 N SER A 56 -3.458 -1.144 7.112 1.00 0.00 N ATOM 878 CA SER A 56 -2.997 -2.353 7.773 1.00 0.00 C ATOM 879 C SER A 56 -1.657 -2.094 8.463 1.00 0.00 C ATOM 880 O SER A 56 -1.490 -2.407 9.641 1.00 0.00 O ATOM 881 CB SER A 56 -2.868 -3.509 6.779 1.00 0.00 C ATOM 882 OG SER A 56 -1.957 -3.207 5.725 1.00 0.00 O ATOM 0 H SER A 56 -3.270 -1.107 6.110 1.00 0.00 H new ATOM 0 HA SER A 56 -3.736 -2.635 8.523 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.532 -4.403 7.304 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.847 -3.736 6.358 1.00 0.00 H new ATOM 0 HG SER A 56 -1.232 -3.866 5.720 1.00 0.00 H new ATOM 888 N HIS A 57 -0.735 -1.525 7.700 1.00 0.00 N ATOM 889 CA HIS A 57 0.586 -1.220 8.223 1.00 0.00 C ATOM 890 C HIS A 57 1.436 -2.492 8.244 1.00 0.00 C ATOM 891 O HIS A 57 1.768 -3.003 9.312 1.00 0.00 O ATOM 892 CB HIS A 57 0.486 -0.551 9.595 1.00 0.00 C ATOM 893 CG HIS A 57 -0.580 0.515 9.683 1.00 0.00 C ATOM 894 ND1 HIS A 57 -1.037 1.021 10.887 1.00 0.00 N ATOM 895 CD2 HIS A 57 -1.272 1.166 8.704 1.00 0.00 C ATOM 896 CE1 HIS A 57 -1.963 1.934 10.633 1.00 0.00 C ATOM 897 NE2 HIS A 57 -2.108 2.022 9.279 1.00 0.00 N ATOM 0 H HIS A 57 -0.877 -1.267 6.723 1.00 0.00 H new ATOM 0 HA HIS A 57 1.083 -0.503 7.569 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.284 -1.315 10.346 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.450 -0.107 9.842 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.159 1.011 7.641 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.507 2.508 11.368 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.752 2.643 8.790 1.00 0.00 H new ATOM 905 N ASP A 58 1.762 -2.967 7.051 1.00 0.00 N ATOM 906 CA ASP A 58 2.567 -4.169 6.918 1.00 0.00 C ATOM 907 C ASP A 58 3.452 -4.052 5.676 1.00 0.00 C ATOM 908 O ASP A 58 3.008 -3.563 4.637 1.00 0.00 O ATOM 909 CB ASP A 58 1.684 -5.408 6.754 1.00 0.00 C ATOM 910 CG ASP A 58 0.403 -5.405 7.592 1.00 0.00 C ATOM 911 OD1 ASP A 58 0.519 -5.118 8.803 1.00 0.00 O ATOM 912 OD2 ASP A 58 -0.661 -5.689 7.002 1.00 0.00 O ATOM 0 H ASP A 58 1.483 -2.541 6.167 1.00 0.00 H new ATOM 0 HA ASP A 58 3.170 -4.272 7.821 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.412 -5.506 5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.269 -6.290 7.015 1.00 0.00 H new ATOM 917 N TYR A 59 4.687 -4.508 5.822 1.00 0.00 N ATOM 918 CA TYR A 59 5.638 -4.460 4.725 1.00 0.00 C ATOM 919 C TYR A 59 5.684 -5.796 3.980 1.00 0.00 C ATOM 920 O TYR A 59 5.600 -6.857 4.596 1.00 0.00 O ATOM 921 CB TYR A 59 7.004 -4.198 5.362 1.00 0.00 C ATOM 922 CG TYR A 59 7.049 -2.950 6.247 1.00 0.00 C ATOM 923 CD1 TYR A 59 7.092 -1.697 5.671 1.00 0.00 C ATOM 924 CD2 TYR A 59 7.046 -3.079 7.620 1.00 0.00 C ATOM 925 CE1 TYR A 59 7.135 -0.523 6.503 1.00 0.00 C ATOM 926 CE2 TYR A 59 7.088 -1.905 8.453 1.00 0.00 C ATOM 927 CZ TYR A 59 7.130 -0.685 7.854 1.00 0.00 C ATOM 928 OH TYR A 59 7.170 0.424 8.640 1.00 0.00 O ATOM 0 H TYR A 59 5.051 -4.913 6.684 1.00 0.00 H new ATOM 0 HA TYR A 59 5.357 -3.690 4.007 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.287 -5.065 5.959 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.749 -4.098 4.572 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.093 -1.597 4.596 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.012 -4.060 8.070 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.170 0.464 6.065 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.086 -1.992 9.530 1.00 0.00 H new ATOM 0 HH TYR A 59 7.160 0.157 9.583 1.00 0.00 H new ATOM 938 N TYR A 60 5.816 -5.700 2.665 1.00 0.00 N ATOM 939 CA TYR A 60 5.874 -6.887 1.830 1.00 0.00 C ATOM 940 C TYR A 60 6.763 -6.654 0.607 1.00 0.00 C ATOM 941 O TYR A 60 6.995 -5.513 0.212 1.00 0.00 O ATOM 942 CB TYR A 60 4.440 -7.144 1.363 1.00 0.00 C ATOM 943 CG TYR A 60 3.450 -7.395 2.502 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.650 -8.447 3.371 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.356 -6.567 2.659 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.718 -8.683 4.443 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.424 -6.803 3.731 1.00 0.00 C ATOM 948 CZ TYR A 60 1.651 -7.849 4.570 1.00 0.00 C ATOM 949 OH TYR A 60 0.770 -8.072 5.582 1.00 0.00 O ATOM 0 H TYR A 60 5.884 -4.818 2.157 1.00 0.00 H new ATOM 0 HA TYR A 60 6.289 -7.728 2.386 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.099 -6.287 0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.435 -8.005 0.695 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.506 -9.094 3.247 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.200 -5.743 1.978 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.863 -9.503 5.130 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.564 -6.164 3.866 1.00 0.00 H new ATOM 0 HH TYR A 60 0.143 -7.321 5.641 1.00 0.00 H new ATOM 959 N TRP A 61 7.236 -7.755 0.041 1.00 0.00 N ATOM 960 CA TRP A 61 8.094 -7.685 -1.129 1.00 0.00 C ATOM 961 C TRP A 61 7.264 -8.089 -2.349 1.00 0.00 C ATOM 962 O TRP A 61 6.664 -9.162 -2.368 1.00 0.00 O ATOM 963 CB TRP A 61 9.344 -8.548 -0.945 1.00 0.00 C ATOM 964 CG TRP A 61 10.281 -8.059 0.162 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.177 -8.267 1.481 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.475 -7.266 -0.010 1.00 0.00 C ATOM 967 NE1 TRP A 61 11.213 -7.669 2.170 1.00 0.00 N ATOM 968 CE2 TRP A 61 12.027 -7.041 1.235 1.00 0.00 C ATOM 969 CE3 TRP A 61 12.068 -6.757 -1.178 1.00 0.00 C ATOM 970 CZ2 TRP A 61 13.199 -6.302 1.431 1.00 0.00 C ATOM 971 CZ3 TRP A 61 13.240 -6.020 -0.965 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.808 -5.784 0.281 1.00 0.00 C ATOM 0 H TRP A 61 7.041 -8.700 0.371 1.00 0.00 H new ATOM 0 HA TRP A 61 8.461 -6.669 -1.278 1.00 0.00 H new ATOM 0 HB2 TRP A 61 9.038 -9.570 -0.722 1.00 0.00 H new ATOM 0 HB3 TRP A 61 9.894 -8.578 -1.886 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.383 -8.831 1.947 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.355 -7.685 3.180 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.653 -6.921 -2.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.612 -6.140 2.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.737 -5.606 -1.830 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.715 -5.204 0.362 1.00 0.00 H new ATOM 983 N VAL A 62 7.256 -7.207 -3.338 1.00 0.00 N ATOM 984 CA VAL A 62 6.509 -7.458 -4.559 1.00 0.00 C ATOM 985 C VAL A 62 7.230 -6.800 -5.737 1.00 0.00 C ATOM 986 O VAL A 62 7.761 -5.698 -5.608 1.00 0.00 O ATOM 987 CB VAL A 62 5.066 -6.978 -4.397 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.363 -7.725 -3.263 1.00 0.00 C ATOM 989 CG2 VAL A 62 5.013 -5.465 -4.173 1.00 0.00 C ATOM 0 H VAL A 62 7.755 -6.318 -3.319 1.00 0.00 H new ATOM 0 HA VAL A 62 6.460 -8.527 -4.764 1.00 0.00 H new ATOM 0 HB VAL A 62 4.534 -7.198 -5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.339 -7.364 -3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.353 -8.793 -3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.895 -7.551 -2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.976 -5.150 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.569 -5.211 -3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.457 -4.955 -5.028 1.00 0.00 H new ATOM 999 N HIS A 63 7.226 -7.504 -6.860 1.00 0.00 N ATOM 1000 CA HIS A 63 7.873 -7.001 -8.060 1.00 0.00 C ATOM 1001 C HIS A 63 7.253 -5.659 -8.453 1.00 0.00 C ATOM 1002 O HIS A 63 6.417 -5.121 -7.729 1.00 0.00 O ATOM 1003 CB HIS A 63 7.808 -8.036 -9.186 1.00 0.00 C ATOM 1004 CG HIS A 63 6.422 -8.573 -9.447 1.00 0.00 C ATOM 1005 ND1 HIS A 63 6.121 -9.375 -10.535 1.00 0.00 N ATOM 1006 CD2 HIS A 63 5.259 -8.416 -8.752 1.00 0.00 C ATOM 1007 CE1 HIS A 63 4.833 -9.680 -10.486 1.00 0.00 C ATOM 1008 NE2 HIS A 63 4.300 -9.084 -9.381 1.00 0.00 N ATOM 0 H HIS A 63 6.785 -8.418 -6.964 1.00 0.00 H new ATOM 0 HA HIS A 63 8.931 -6.829 -7.862 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.190 -7.586 -10.102 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.468 -8.868 -8.940 1.00 0.00 H new ATOM 0 HD1 HIS A 63 6.779 -9.679 -11.252 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.139 -7.845 -7.843 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.299 -10.293 -11.196 1.00 0.00 H new ATOM 1016 N GLN A 64 7.689 -5.156 -9.599 1.00 0.00 N ATOM 1017 CA GLN A 64 7.188 -3.886 -10.098 1.00 0.00 C ATOM 1018 C GLN A 64 6.258 -4.114 -11.291 1.00 0.00 C ATOM 1019 O GLN A 64 6.281 -5.179 -11.906 1.00 0.00 O ATOM 1020 CB GLN A 64 8.339 -2.950 -10.470 1.00 0.00 C ATOM 1021 CG GLN A 64 9.110 -3.484 -11.679 1.00 0.00 C ATOM 1022 CD GLN A 64 9.768 -2.342 -12.457 1.00 0.00 C ATOM 1023 OE1 GLN A 64 9.409 -1.183 -12.332 1.00 0.00 O ATOM 1024 NE2 GLN A 64 10.749 -2.734 -13.266 1.00 0.00 N ATOM 0 H GLN A 64 8.384 -5.605 -10.196 1.00 0.00 H new ATOM 0 HA GLN A 64 6.616 -3.406 -9.304 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.948 -1.957 -10.693 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.015 -2.843 -9.621 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.872 -4.189 -11.347 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.433 -4.032 -12.334 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.999 -3.721 -13.323 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.251 -2.047 -13.829 1.00 0.00 H new ATOM 1033 N GLY A 65 5.462 -3.096 -11.583 1.00 0.00 N ATOM 1034 CA GLY A 65 4.526 -3.172 -12.692 1.00 0.00 C ATOM 1035 C GLY A 65 3.108 -3.459 -12.195 1.00 0.00 C ATOM 1036 O GLY A 65 2.132 -3.050 -12.821 1.00 0.00 O ATOM 0 H GLY A 65 5.446 -2.214 -11.071 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.538 -2.234 -13.247 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.838 -3.955 -13.383 1.00 0.00 H new ATOM 1040 N ARG A 66 3.040 -4.161 -11.073 1.00 0.00 N ATOM 1041 CA ARG A 66 1.758 -4.508 -10.484 1.00 0.00 C ATOM 1042 C ARG A 66 1.192 -3.318 -9.706 1.00 0.00 C ATOM 1043 O ARG A 66 0.011 -3.302 -9.362 1.00 0.00 O ATOM 1044 CB ARG A 66 1.890 -5.707 -9.544 1.00 0.00 C ATOM 1045 CG ARG A 66 1.781 -7.024 -10.315 1.00 0.00 C ATOM 1046 CD ARG A 66 0.434 -7.701 -10.056 1.00 0.00 C ATOM 1047 NE ARG A 66 0.197 -8.759 -11.065 1.00 0.00 N ATOM 1048 CZ ARG A 66 0.873 -9.915 -11.114 1.00 0.00 C ATOM 1049 NH1 ARG A 66 1.831 -10.169 -10.212 1.00 0.00 N ATOM 1050 NH2 ARG A 66 0.591 -10.816 -12.064 1.00 0.00 N ATOM 0 H ARG A 66 3.852 -4.499 -10.556 1.00 0.00 H new ATOM 0 HA ARG A 66 1.080 -4.771 -11.296 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.848 -5.663 -9.026 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.113 -5.663 -8.781 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.898 -6.836 -11.382 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.590 -7.691 -10.018 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.421 -8.132 -9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.367 -6.963 -10.096 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.526 -8.598 -11.766 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.045 -9.483 -9.489 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.346 -11.049 -10.249 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.138 -10.622 -12.750 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.106 -11.696 -12.101 1.00 0.00 H new ATOM 1064 N VAL A 67 2.061 -2.351 -9.452 1.00 0.00 N ATOM 1065 CA VAL A 67 1.662 -1.160 -8.721 1.00 0.00 C ATOM 1066 C VAL A 67 1.424 -0.016 -9.709 1.00 0.00 C ATOM 1067 O VAL A 67 2.112 0.086 -10.723 1.00 0.00 O ATOM 1068 CB VAL A 67 2.710 -0.823 -7.658 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.289 -2.096 -7.037 1.00 0.00 C ATOM 1070 CG2 VAL A 67 3.818 0.056 -8.239 1.00 0.00 C ATOM 0 H VAL A 67 3.040 -2.368 -9.739 1.00 0.00 H new ATOM 0 HA VAL A 67 0.725 -1.333 -8.192 1.00 0.00 H new ATOM 0 HB VAL A 67 2.216 -0.259 -6.867 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.031 -1.829 -6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.489 -2.669 -6.569 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.760 -2.698 -7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.549 0.280 -7.462 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.308 -0.470 -9.058 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.387 0.985 -8.611 1.00 0.00 H new ATOM 1080 N PHE A 68 0.448 0.816 -9.378 1.00 0.00 N ATOM 1081 CA PHE A 68 0.111 1.949 -10.223 1.00 0.00 C ATOM 1082 C PHE A 68 0.357 3.271 -9.493 1.00 0.00 C ATOM 1083 O PHE A 68 0.318 3.322 -8.264 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.378 1.832 -10.554 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.666 1.184 -11.910 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -1.420 -0.141 -12.096 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -2.167 1.932 -12.929 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -1.686 -0.742 -13.355 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -2.434 1.330 -14.187 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.188 0.006 -14.374 1.00 0.00 C ATOM 0 H PHE A 68 -0.121 0.728 -8.536 1.00 0.00 H new ATOM 0 HA PHE A 68 0.730 1.941 -11.120 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.868 1.250 -9.774 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.823 2.827 -10.537 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.023 -0.736 -11.287 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.362 2.984 -12.782 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.490 -1.794 -13.503 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.833 1.924 -14.996 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.391 -0.451 -15.331 1.00 0.00 H new ATOM 1100 N PRO A 69 0.611 4.335 -10.300 1.00 0.00 N ATOM 1101 CA PRO A 69 0.863 5.653 -9.744 1.00 0.00 C ATOM 1102 C PRO A 69 -0.434 6.296 -9.247 1.00 0.00 C ATOM 1103 O PRO A 69 -1.397 6.423 -10.001 1.00 0.00 O ATOM 1104 CB PRO A 69 1.520 6.436 -10.869 1.00 0.00 C ATOM 1105 CG PRO A 69 1.191 5.683 -12.148 1.00 0.00 C ATOM 1106 CD PRO A 69 0.664 4.312 -11.759 1.00 0.00 C ATOM 0 HA PRO A 69 1.510 5.622 -8.867 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.140 7.457 -10.908 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.598 6.502 -10.721 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.447 6.227 -12.730 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.078 5.587 -12.774 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.321 4.130 -12.188 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.320 3.519 -12.119 1.00 0.00 H new ATOM 1114 N TYR A 70 -0.416 6.684 -7.980 1.00 0.00 N ATOM 1115 CA TYR A 70 -1.579 7.310 -7.373 1.00 0.00 C ATOM 1116 C TYR A 70 -1.656 8.793 -7.739 1.00 0.00 C ATOM 1117 O TYR A 70 -0.762 9.568 -7.399 1.00 0.00 O ATOM 1118 CB TYR A 70 -1.387 7.179 -5.861 1.00 0.00 C ATOM 1119 CG TYR A 70 -2.422 7.943 -5.034 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -2.308 9.310 -4.876 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -3.471 7.266 -4.445 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -3.282 10.029 -4.098 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -4.446 7.986 -3.667 1.00 0.00 C ATOM 1124 CZ TYR A 70 -4.303 9.332 -3.532 1.00 0.00 C ATOM 1125 OH TYR A 70 -5.224 10.011 -2.796 1.00 0.00 O ATOM 0 H TYR A 70 0.385 6.577 -7.357 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.496 6.835 -7.720 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.428 6.124 -5.590 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.391 7.537 -5.599 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.487 9.840 -5.337 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.561 6.197 -4.568 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.204 11.098 -3.967 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -5.272 7.469 -3.201 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.896 9.385 -2.454 1.00 0.00 H new ATOM 1135 N VAL A 71 -2.732 9.145 -8.427 1.00 0.00 N ATOM 1136 CA VAL A 71 -2.938 10.522 -8.842 1.00 0.00 C ATOM 1137 C VAL A 71 -3.585 11.305 -7.698 1.00 0.00 C ATOM 1138 O VAL A 71 -4.366 10.750 -6.926 1.00 0.00 O ATOM 1139 CB VAL A 71 -3.758 10.562 -10.133 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -3.925 11.999 -10.632 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -3.128 9.678 -11.211 1.00 0.00 C ATOM 0 H VAL A 71 -3.471 8.500 -8.708 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.984 11.000 -9.063 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.749 10.166 -9.912 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.512 11.999 -11.551 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.438 12.590 -9.874 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.944 12.433 -10.828 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.731 9.725 -12.118 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.119 10.031 -11.427 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.084 8.648 -10.857 1.00 0.00 H new ATOM 1151 N GLU A 72 -3.237 12.581 -7.625 1.00 0.00 N ATOM 1152 CA GLU A 72 -3.775 13.445 -6.588 1.00 0.00 C ATOM 1153 C GLU A 72 -4.954 14.256 -7.131 1.00 0.00 C ATOM 1154 O GLU A 72 -4.861 15.474 -7.271 1.00 0.00 O ATOM 1155 CB GLU A 72 -2.691 14.365 -6.024 1.00 0.00 C ATOM 1156 CG GLU A 72 -2.867 14.560 -4.516 1.00 0.00 C ATOM 1157 CD GLU A 72 -4.283 15.035 -4.187 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -4.592 16.192 -4.545 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -5.026 14.230 -3.584 1.00 0.00 O ATOM 0 H GLU A 72 -2.589 13.038 -8.267 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.135 12.819 -5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.708 13.941 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.732 15.331 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.664 13.622 -3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.142 15.288 -4.153 1.00 0.00 H new ATOM 1367 N THR A 87 -11.251 -0.270 6.891 1.00 0.00 N ATOM 1368 CA THR A 87 -9.810 -0.084 6.888 1.00 0.00 C ATOM 1369 C THR A 87 -9.375 0.693 5.644 1.00 0.00 C ATOM 1370 O THR A 87 -8.605 1.647 5.742 1.00 0.00 O ATOM 1371 CB THR A 87 -9.155 -1.462 7.003 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.569 -1.937 8.281 1.00 0.00 O ATOM 1373 CG2 THR A 87 -7.631 -1.379 7.113 1.00 0.00 C ATOM 0 HA THR A 87 -9.487 0.517 7.738 1.00 0.00 H new ATOM 0 HB THR A 87 -9.424 -2.065 6.136 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.491 -1.653 8.453 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.217 -2.384 7.192 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.228 -0.889 6.226 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.361 -0.804 7.999 1.00 0.00 H new ATOM 1381 N PHE A 88 -9.887 0.256 4.503 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.562 0.899 3.241 1.00 0.00 C ATOM 1383 C PHE A 88 -9.578 2.422 3.382 1.00 0.00 C ATOM 1384 O PHE A 88 -8.569 3.082 3.138 1.00 0.00 O ATOM 1385 CB PHE A 88 -10.636 0.480 2.236 1.00 0.00 C ATOM 1386 CG PHE A 88 -10.202 0.605 0.774 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.202 1.461 0.432 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -10.816 -0.141 -0.184 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -8.800 1.577 -0.925 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -10.413 -0.026 -1.540 1.00 0.00 C ATOM 1391 CZ PHE A 88 -9.413 0.831 -1.882 1.00 0.00 C ATOM 0 H PHE A 88 -10.525 -0.536 4.426 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.564 0.602 2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.920 -0.554 2.433 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.525 1.091 2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.714 2.052 1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.610 -0.821 0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.007 2.258 -1.197 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.900 -0.619 -2.300 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.106 0.919 -2.914 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.734 2.936 3.775 1.00 0.00 N ATOM 1402 CA LYS A 89 -10.894 4.369 3.951 1.00 0.00 C ATOM 1403 C LYS A 89 -9.731 4.910 4.784 1.00 0.00 C ATOM 1404 O LYS A 89 -9.123 5.919 4.428 1.00 0.00 O ATOM 1405 CB LYS A 89 -12.271 4.686 4.540 1.00 0.00 C ATOM 1406 CG LYS A 89 -13.141 5.433 3.527 1.00 0.00 C ATOM 1407 CD LYS A 89 -14.596 4.965 3.603 1.00 0.00 C ATOM 1408 CE LYS A 89 -14.903 3.949 2.501 1.00 0.00 C ATOM 1409 NZ LYS A 89 -16.275 3.416 2.655 1.00 0.00 N ATOM 0 H LYS A 89 -11.569 2.386 3.976 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.859 4.877 2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.765 3.761 4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.155 5.289 5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.090 6.505 3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.755 5.270 2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.788 4.518 4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.263 5.822 3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.797 4.420 1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.183 3.132 2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.467 2.728 1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.364 2.948 3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.960 4.197 2.595 1.00 0.00 H new ATOM 1423 N LYS A 90 -9.455 4.216 5.878 1.00 0.00 N ATOM 1424 CA LYS A 90 -8.374 4.614 6.765 1.00 0.00 C ATOM 1425 C LYS A 90 -7.067 4.677 5.972 1.00 0.00 C ATOM 1426 O LYS A 90 -6.242 5.561 6.199 1.00 0.00 O ATOM 1427 CB LYS A 90 -8.312 3.688 7.982 1.00 0.00 C ATOM 1428 CG LYS A 90 -7.121 4.039 8.876 1.00 0.00 C ATOM 1429 CD LYS A 90 -7.432 3.742 10.345 1.00 0.00 C ATOM 1430 CE LYS A 90 -6.155 3.748 11.188 1.00 0.00 C ATOM 1431 NZ LYS A 90 -6.478 3.963 12.616 1.00 0.00 N ATOM 0 H LYS A 90 -9.961 3.380 6.171 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.554 5.613 7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.237 3.769 8.553 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.231 2.652 7.652 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.246 3.469 8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.872 5.094 8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.130 4.486 10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.922 2.772 10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.628 2.802 11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.485 4.533 10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.600 3.964 13.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.961 4.877 12.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.100 3.199 12.950 1.00 0.00 H new ATOM 1445 N ALA A 91 -6.919 3.728 5.060 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.726 3.665 4.232 1.00 0.00 C ATOM 1447 C ALA A 91 -5.751 4.813 3.221 1.00 0.00 C ATOM 1448 O ALA A 91 -4.746 5.496 3.028 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.646 2.294 3.557 1.00 0.00 C ATOM 0 H ALA A 91 -7.605 2.996 4.876 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.829 3.782 4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.752 2.246 2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.601 1.516 4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.528 2.143 2.935 1.00 0.00 H new ATOM 1455 N LEU A 92 -6.909 4.990 2.603 1.00 0.00 N ATOM 1456 CA LEU A 92 -7.077 6.044 1.617 1.00 0.00 C ATOM 1457 C LEU A 92 -6.649 7.380 2.226 1.00 0.00 C ATOM 1458 O LEU A 92 -5.870 8.119 1.626 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.508 6.046 1.074 1.00 0.00 C ATOM 1460 CG LEU A 92 -8.926 4.806 0.281 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.415 4.511 0.469 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.552 4.948 -1.196 1.00 0.00 C ATOM 0 H LEU A 92 -7.740 4.421 2.766 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.433 5.866 0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.194 6.165 1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.632 6.920 0.435 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.376 3.950 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.686 3.625 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.621 4.336 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.001 5.362 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.860 4.053 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.056 5.818 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.473 5.074 -1.288 1.00 0.00 H new ATOM 1474 N GLU A 93 -7.177 7.650 3.411 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.859 8.884 4.108 1.00 0.00 C ATOM 1476 C GLU A 93 -5.347 9.011 4.301 1.00 0.00 C ATOM 1477 O GLU A 93 -4.735 9.967 3.827 1.00 0.00 O ATOM 1478 CB GLU A 93 -7.591 8.960 5.450 1.00 0.00 C ATOM 1479 CG GLU A 93 -9.108 8.960 5.248 1.00 0.00 C ATOM 1480 CD GLU A 93 -9.805 9.788 6.329 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -9.444 10.978 6.453 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -10.683 9.212 7.007 1.00 0.00 O ATOM 0 H GLU A 93 -7.823 7.035 3.906 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.199 9.721 3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.304 8.113 6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.291 9.863 5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.347 9.364 4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.482 7.936 5.272 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.787 8.033 4.997 1.00 0.00 N ATOM 1490 CA GLU A 94 -3.358 8.023 5.258 1.00 0.00 C ATOM 1491 C GLU A 94 -2.579 8.193 3.953 1.00 0.00 C ATOM 1492 O GLU A 94 -1.721 9.068 3.848 1.00 0.00 O ATOM 1493 CB GLU A 94 -2.941 6.740 5.982 1.00 0.00 C ATOM 1494 CG GLU A 94 -2.946 6.940 7.499 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.662 6.395 8.127 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -1.281 5.265 7.750 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -1.090 7.120 8.970 1.00 0.00 O ATOM 0 H GLU A 94 -5.297 7.241 5.388 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.122 8.863 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.621 5.931 5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.945 6.440 5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.046 8.001 7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.810 6.437 7.933 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.905 7.343 2.990 1.00 0.00 N ATOM 1505 CA ALA A 95 -2.247 7.389 1.696 1.00 0.00 C ATOM 1506 C ALA A 95 -2.092 8.847 1.259 1.00 0.00 C ATOM 1507 O ALA A 95 -1.032 9.246 0.779 1.00 0.00 O ATOM 1508 CB ALA A 95 -3.044 6.560 0.688 1.00 0.00 C ATOM 0 H ALA A 95 -3.617 6.618 3.081 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.249 6.955 1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.550 6.595 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.100 5.527 1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.051 6.967 0.597 1.00 0.00 H new ATOM 1514 N ALA A 96 -3.165 9.603 1.440 1.00 0.00 N ATOM 1515 CA ALA A 96 -3.161 11.008 1.071 1.00 0.00 C ATOM 1516 C ALA A 96 -2.024 11.722 1.804 1.00 0.00 C ATOM 1517 O ALA A 96 -1.114 12.258 1.174 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.529 11.621 1.379 1.00 0.00 C ATOM 0 H ALA A 96 -4.043 9.269 1.837 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.985 11.122 0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.526 12.675 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.298 11.099 0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.739 11.526 2.444 1.00 0.00 H new ATOM 1524 N LYS A 97 -2.113 11.704 3.126 1.00 0.00 N ATOM 1525 CA LYS A 97 -1.102 12.343 3.953 1.00 0.00 C ATOM 1526 C LYS A 97 0.280 12.084 3.351 1.00 0.00 C ATOM 1527 O LYS A 97 0.939 13.009 2.878 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.235 11.889 5.408 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.336 13.090 6.350 1.00 0.00 C ATOM 1530 CD LYS A 97 -2.742 13.203 6.944 1.00 0.00 C ATOM 1531 CE LYS A 97 -2.774 14.224 8.084 1.00 0.00 C ATOM 1532 NZ LYS A 97 -4.145 14.748 8.271 1.00 0.00 N ATOM 0 H LYS A 97 -2.869 11.257 3.645 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.247 13.423 3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.119 11.261 5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.375 11.278 5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.605 12.990 7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.092 14.004 5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.447 13.498 6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.064 12.229 7.313 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.427 13.759 9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.091 15.045 7.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.149 15.439 9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.463 15.210 7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.788 13.964 8.502 1.00 0.00 H new ATOM 1546 N ARG A 98 0.680 10.821 3.389 1.00 0.00 N ATOM 1547 CA ARG A 98 1.972 10.429 2.853 1.00 0.00 C ATOM 1548 C ARG A 98 2.272 11.203 1.568 1.00 0.00 C ATOM 1549 O ARG A 98 3.246 11.950 1.502 1.00 0.00 O ATOM 1550 CB ARG A 98 2.013 8.928 2.557 1.00 0.00 C ATOM 1551 CG ARG A 98 2.053 8.115 3.853 1.00 0.00 C ATOM 1552 CD ARG A 98 3.472 8.057 4.421 1.00 0.00 C ATOM 1553 NE ARG A 98 3.637 6.841 5.248 1.00 0.00 N ATOM 1554 CZ ARG A 98 4.773 6.508 5.876 1.00 0.00 C ATOM 1555 NH1 ARG A 98 5.851 7.298 5.775 1.00 0.00 N ATOM 1556 NH2 ARG A 98 4.831 5.385 6.605 1.00 0.00 N ATOM 0 H ARG A 98 0.132 10.056 3.783 1.00 0.00 H new ATOM 0 HA ARG A 98 2.726 10.661 3.605 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.138 8.645 1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.889 8.697 1.951 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.382 8.561 4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.692 7.104 3.664 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.198 8.055 3.608 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.669 8.945 5.022 1.00 0.00 H new ATOM 0 HE ARG A 98 2.836 6.217 5.346 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.807 8.153 5.220 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.716 7.045 6.253 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.011 4.784 6.682 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.696 5.131 7.083 1.00 0.00 H new ATOM 1570 N PHE A 99 1.415 10.998 0.578 1.00 0.00 N ATOM 1571 CA PHE A 99 1.576 11.668 -0.701 1.00 0.00 C ATOM 1572 C PHE A 99 1.893 13.152 -0.507 1.00 0.00 C ATOM 1573 O PHE A 99 2.679 13.726 -1.259 1.00 0.00 O ATOM 1574 CB PHE A 99 0.246 11.535 -1.445 1.00 0.00 C ATOM 1575 CG PHE A 99 0.308 11.963 -2.913 1.00 0.00 C ATOM 1576 CD1 PHE A 99 0.740 11.087 -3.859 1.00 0.00 C ATOM 1577 CD2 PHE A 99 -0.068 13.220 -3.272 1.00 0.00 C ATOM 1578 CE1 PHE A 99 0.799 11.484 -5.221 1.00 0.00 C ATOM 1579 CE2 PHE A 99 -0.009 13.617 -4.634 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.423 12.740 -5.580 1.00 0.00 C ATOM 0 H PHE A 99 0.607 10.378 0.636 1.00 0.00 H new ATOM 0 HA PHE A 99 2.400 11.219 -1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.085 10.498 -1.393 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.506 12.136 -0.934 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.038 10.089 -3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.411 13.916 -2.521 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.143 10.788 -5.972 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.307 14.615 -4.919 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.467 13.042 -6.616 1.00 0.00 H new ATOM 1590 N GLN A 100 1.264 13.731 0.505 1.00 0.00 N ATOM 1591 CA GLN A 100 1.469 15.137 0.808 1.00 0.00 C ATOM 1592 C GLN A 100 2.798 15.335 1.539 1.00 0.00 C ATOM 1593 O GLN A 100 3.456 16.361 1.372 1.00 0.00 O ATOM 1594 CB GLN A 100 0.304 15.697 1.627 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.039 15.266 1.036 1.00 0.00 C ATOM 1596 CD GLN A 100 -1.824 16.473 0.518 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -1.482 17.087 -0.479 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -2.892 16.778 1.250 1.00 0.00 N ATOM 0 H GLN A 100 0.612 13.252 1.126 1.00 0.00 H new ATOM 0 HA GLN A 100 1.508 15.689 -0.131 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.380 15.350 2.658 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.362 16.785 1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.872 14.560 0.222 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.624 14.746 1.795 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.122 16.222 2.074 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.481 17.568 0.988 1.00 0.00 H new ATOM 1607 N GLU A 101 3.154 14.336 2.333 1.00 0.00 N ATOM 1608 CA GLU A 101 4.393 14.387 3.090 1.00 0.00 C ATOM 1609 C GLU A 101 5.594 14.229 2.155 1.00 0.00 C ATOM 1610 O GLU A 101 6.491 15.070 2.143 1.00 0.00 O ATOM 1611 CB GLU A 101 4.409 13.321 4.188 1.00 0.00 C ATOM 1612 CG GLU A 101 3.051 13.233 4.886 1.00 0.00 C ATOM 1613 CD GLU A 101 3.215 12.857 6.360 1.00 0.00 C ATOM 1614 OE1 GLU A 101 3.482 13.784 7.156 1.00 0.00 O ATOM 1615 OE2 GLU A 101 3.070 11.652 6.658 1.00 0.00 O ATOM 0 H GLU A 101 2.606 13.486 2.469 1.00 0.00 H new ATOM 0 HA GLU A 101 4.460 15.361 3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.663 12.353 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.183 13.558 4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.535 14.190 4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.428 12.492 4.385 1.00 0.00 H new ATOM 1622 N LEU A 102 5.572 13.144 1.394 1.00 0.00 N ATOM 1623 CA LEU A 102 6.647 12.865 0.458 1.00 0.00 C ATOM 1624 C LEU A 102 7.029 14.154 -0.273 1.00 0.00 C ATOM 1625 O LEU A 102 8.192 14.555 -0.264 1.00 0.00 O ATOM 1626 CB LEU A 102 6.258 11.720 -0.479 1.00 0.00 C ATOM 1627 CG LEU A 102 6.762 10.330 -0.085 1.00 0.00 C ATOM 1628 CD1 LEU A 102 6.580 10.086 1.414 1.00 0.00 C ATOM 1629 CD2 LEU A 102 6.091 9.244 -0.928 1.00 0.00 C ATOM 0 H LEU A 102 4.826 12.448 1.407 1.00 0.00 H new ATOM 0 HA LEU A 102 7.535 12.524 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.171 11.685 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.631 11.951 -1.477 1.00 0.00 H new ATOM 0 HG LEU A 102 7.831 10.283 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.946 9.091 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.141 10.833 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.523 10.160 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.467 8.266 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.012 9.280 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.315 9.411 -1.982 1.00 0.00 H new ATOM 1641 N LYS A 103 6.028 14.767 -0.887 1.00 0.00 N ATOM 1642 CA LYS A 103 6.244 16.003 -1.621 1.00 0.00 C ATOM 1643 C LYS A 103 6.577 17.125 -0.635 1.00 0.00 C ATOM 1644 O LYS A 103 7.463 17.938 -0.891 1.00 0.00 O ATOM 1645 CB LYS A 103 5.045 16.309 -2.520 1.00 0.00 C ATOM 1646 CG LYS A 103 3.788 16.571 -1.687 1.00 0.00 C ATOM 1647 CD LYS A 103 2.525 16.405 -2.534 1.00 0.00 C ATOM 1648 CE LYS A 103 1.697 17.692 -2.542 1.00 0.00 C ATOM 1649 NZ LYS A 103 2.408 18.760 -3.279 1.00 0.00 N ATOM 0 H LYS A 103 5.065 14.431 -0.892 1.00 0.00 H new ATOM 0 HA LYS A 103 7.098 15.904 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.263 17.179 -3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.870 15.472 -3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.757 15.883 -0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.824 17.579 -1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.800 16.139 -3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.925 15.584 -2.141 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.728 17.505 -3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.504 18.014 -1.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.764 19.561 -3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.227 19.079 -2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.734 18.392 -4.195 1.00 0.00 H new