USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 ASN : amide:sc= -2.44! C(o=-5.8!,f=-6.1!) USER MOD Set 1.2: A 41 MET CE :methyl -108:sc= -3.31! (180deg=-6.15!) USER MOD Single : A 12 MET CE :methyl 173:sc= -0.651 (180deg=-0.718) USER MOD Single : A 13 ASN : amide:sc= -4.36! C(o=-4.4!,f=-6.3!) USER MOD Single : A 16 MET CE :methyl 153:sc= -0.217 (180deg=-0.975) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0067 K(o=-0.0067,f=-0.76) USER MOD Single : A 29 GLN : amide:sc= -0.833 K(o=-0.83,f=-0.066) USER MOD Single : A 34 HIS : no HD1:sc= -5.86! C(o=-5.9!,f=-4.8!) USER MOD Single : A 35 ASN : amide:sc= -1.23 K(o=-1.2,f=-10!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -127:sc= -0.593 (180deg=-2.49!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -147:sc= -0.724 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 147 N MET A 12 -2.155 5.145 -5.614 1.00 0.00 N ATOM 148 CA MET A 12 -2.864 4.278 -4.679 1.00 0.00 C ATOM 149 C MET A 12 -3.477 5.090 -3.542 1.00 0.00 C ATOM 150 O MET A 12 -3.050 6.211 -3.268 1.00 0.00 O ATOM 151 CB MET A 12 -1.917 3.219 -4.113 1.00 0.00 C ATOM 152 CG MET A 12 -0.797 2.833 -5.065 1.00 0.00 C ATOM 153 SD MET A 12 -0.096 1.214 -4.695 1.00 0.00 S ATOM 154 CE MET A 12 0.552 1.494 -3.049 1.00 0.00 C ATOM 0 HA MET A 12 -3.669 3.782 -5.222 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.482 3.591 -3.185 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.491 2.328 -3.861 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.177 2.835 -6.087 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.009 3.585 -5.017 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.907 0.551 -2.633 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.378 2.203 -3.099 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.235 1.898 -2.412 1.00 0.00 H new ATOM 164 N ASN A 13 -4.479 4.516 -2.885 1.00 0.00 N ATOM 165 CA ASN A 13 -5.151 5.188 -1.778 1.00 0.00 C ATOM 166 C ASN A 13 -4.636 4.673 -0.437 1.00 0.00 C ATOM 167 O ASN A 13 -3.731 3.841 -0.386 1.00 0.00 O ATOM 168 CB ASN A 13 -6.664 4.979 -1.870 1.00 0.00 C ATOM 169 CG ASN A 13 -7.027 3.663 -2.530 1.00 0.00 C ATOM 170 OD1 ASN A 13 -6.790 3.467 -3.722 1.00 0.00 O ATOM 171 ND2 ASN A 13 -7.606 2.753 -1.755 1.00 0.00 N ATOM 0 H ASN A 13 -4.844 3.588 -3.099 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.933 6.254 -1.846 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.094 5.011 -0.869 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.108 5.800 -2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.873 1.848 -2.143 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.783 2.959 -0.772 1.00 0.00 H new ATOM 178 N ALA A 14 -5.220 5.175 0.647 1.00 0.00 N ATOM 179 CA ALA A 14 -4.823 4.764 1.988 1.00 0.00 C ATOM 180 C ALA A 14 -4.946 3.254 2.159 1.00 0.00 C ATOM 181 O ALA A 14 -4.082 2.615 2.759 1.00 0.00 O ATOM 182 CB ALA A 14 -5.663 5.485 3.031 1.00 0.00 C ATOM 0 H ALA A 14 -5.969 5.867 0.622 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.777 5.035 2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.356 5.168 4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.521 6.561 2.932 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.715 5.243 2.882 1.00 0.00 H new ATOM 188 N PHE A 15 -6.024 2.689 1.627 1.00 0.00 N ATOM 189 CA PHE A 15 -6.261 1.253 1.722 1.00 0.00 C ATOM 190 C PHE A 15 -5.243 0.478 0.891 1.00 0.00 C ATOM 191 O PHE A 15 -4.641 -0.484 1.366 1.00 0.00 O ATOM 192 CB PHE A 15 -7.679 0.916 1.257 1.00 0.00 C ATOM 193 CG PHE A 15 -7.862 -0.528 0.889 1.00 0.00 C ATOM 194 CD1 PHE A 15 -7.606 -0.965 -0.401 1.00 0.00 C ATOM 195 CD2 PHE A 15 -8.289 -1.449 1.831 1.00 0.00 C ATOM 196 CE1 PHE A 15 -7.774 -2.294 -0.743 1.00 0.00 C ATOM 197 CE2 PHE A 15 -8.459 -2.779 1.495 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.200 -3.202 0.206 1.00 0.00 C ATOM 0 H PHE A 15 -6.748 3.203 1.125 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.150 0.960 2.766 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.383 1.173 2.049 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.927 1.536 0.396 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.272 -0.260 -1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.492 -1.124 2.841 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.572 -2.622 -1.752 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.794 -3.486 2.239 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.330 -4.241 -0.059 1.00 0.00 H new ATOM 208 N MET A 16 -5.059 0.903 -0.355 1.00 0.00 N ATOM 209 CA MET A 16 -4.114 0.250 -1.253 1.00 0.00 C ATOM 210 C MET A 16 -2.723 0.190 -0.629 1.00 0.00 C ATOM 211 O MET A 16 -2.133 -0.884 -0.507 1.00 0.00 O ATOM 212 CB MET A 16 -4.054 0.990 -2.591 1.00 0.00 C ATOM 213 CG MET A 16 -5.328 0.869 -3.410 1.00 0.00 C ATOM 214 SD MET A 16 -5.111 1.410 -5.116 1.00 0.00 S ATOM 215 CE MET A 16 -3.937 0.194 -5.710 1.00 0.00 C ATOM 0 H MET A 16 -5.552 1.696 -0.765 1.00 0.00 H new ATOM 0 HA MET A 16 -4.460 -0.769 -1.425 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.850 2.044 -2.405 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.219 0.602 -3.174 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.663 -0.168 -3.402 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.114 1.462 -2.942 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.054 0.071 -6.787 1.00 0.00 H new ATOM 0 HE2 MET A 16 -2.923 0.530 -5.491 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.118 -0.759 -5.214 1.00 0.00 H new ATOM 225 N VAL A 17 -2.205 1.349 -0.236 1.00 0.00 N ATOM 226 CA VAL A 17 -0.884 1.427 0.376 1.00 0.00 C ATOM 227 C VAL A 17 -0.743 0.420 1.511 1.00 0.00 C ATOM 228 O VAL A 17 -0.019 -0.568 1.392 1.00 0.00 O ATOM 229 CB VAL A 17 -0.600 2.840 0.919 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.798 2.913 1.515 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.775 3.878 -0.179 1.00 0.00 C ATOM 0 H VAL A 17 -2.680 2.247 -0.330 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.160 1.193 -0.404 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.318 3.057 1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.980 3.919 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.883 2.197 2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.534 2.676 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.570 4.870 0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.082 3.666 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.798 3.842 -0.554 1.00 0.00 H new ATOM 241 N TRP A 18 -1.441 0.677 2.612 1.00 0.00 N ATOM 242 CA TRP A 18 -1.395 -0.208 3.770 1.00 0.00 C ATOM 243 C TRP A 18 -1.469 -1.670 3.341 1.00 0.00 C ATOM 244 O TRP A 18 -0.864 -2.541 3.966 1.00 0.00 O ATOM 245 CB TRP A 18 -2.541 0.113 4.730 1.00 0.00 C ATOM 246 CG TRP A 18 -2.897 -1.028 5.634 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.407 -1.263 6.888 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.816 -2.089 5.355 1.00 0.00 C ATOM 249 NE1 TRP A 18 -2.967 -2.407 7.404 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.835 -2.932 6.484 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.626 -2.409 4.262 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.631 -4.072 6.548 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.415 -3.541 4.327 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.414 -4.361 5.463 1.00 0.00 C ATOM 0 H TRP A 18 -2.045 1.491 2.727 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.446 -0.046 4.282 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.266 0.976 5.337 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.420 0.397 4.152 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.686 -0.641 7.398 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.768 -2.801 8.323 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.635 -1.783 3.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.631 -4.706 7.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.044 -3.798 3.487 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.043 -5.238 5.483 1.00 0.00 H new ATOM 265 N ALA A 19 -2.214 -1.932 2.272 1.00 0.00 N ATOM 266 CA ALA A 19 -2.365 -3.288 1.760 1.00 0.00 C ATOM 267 C ALA A 19 -1.086 -3.763 1.079 1.00 0.00 C ATOM 268 O ALA A 19 -0.655 -4.900 1.269 1.00 0.00 O ATOM 269 CB ALA A 19 -3.537 -3.359 0.792 1.00 0.00 C ATOM 0 H ALA A 19 -2.722 -1.223 1.744 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.564 -3.948 2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.638 -4.378 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.453 -3.069 1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.361 -2.681 -0.043 1.00 0.00 H new ATOM 275 N LYS A 20 -0.482 -2.884 0.286 1.00 0.00 N ATOM 276 CA LYS A 20 0.749 -3.213 -0.424 1.00 0.00 C ATOM 277 C LYS A 20 1.627 -4.139 0.411 1.00 0.00 C ATOM 278 O LYS A 20 2.327 -4.998 -0.126 1.00 0.00 O ATOM 279 CB LYS A 20 1.519 -1.936 -0.768 1.00 0.00 C ATOM 280 CG LYS A 20 2.490 -1.500 0.315 1.00 0.00 C ATOM 281 CD LYS A 20 2.704 0.004 0.300 1.00 0.00 C ATOM 282 CE LYS A 20 3.750 0.408 -0.727 1.00 0.00 C ATOM 283 NZ LYS A 20 5.129 0.347 -0.169 1.00 0.00 N ATOM 0 H LYS A 20 -0.825 -1.938 0.119 1.00 0.00 H new ATOM 0 HA LYS A 20 0.481 -3.729 -1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.069 -2.093 -1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.807 -1.131 -0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.110 -1.804 1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.445 -2.006 0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.762 0.504 0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.016 0.338 1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.680 -0.249 -1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.544 1.420 -1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.812 0.630 -0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.204 0.993 0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.335 -0.624 0.141 1.00 0.00 H new ATOM 297 N ASP A 21 1.584 -3.961 1.727 1.00 0.00 N ATOM 298 CA ASP A 21 2.374 -4.783 2.637 1.00 0.00 C ATOM 299 C ASP A 21 1.578 -5.998 3.101 1.00 0.00 C ATOM 300 O ASP A 21 2.110 -7.104 3.187 1.00 0.00 O ATOM 301 CB ASP A 21 2.822 -3.959 3.845 1.00 0.00 C ATOM 302 CG ASP A 21 3.909 -4.648 4.645 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.936 -5.028 4.046 1.00 0.00 O ATOM 304 OD2 ASP A 21 3.731 -4.809 5.871 1.00 0.00 O ATOM 0 H ASP A 21 1.010 -3.255 2.188 1.00 0.00 H new ATOM 0 HA ASP A 21 3.255 -5.132 2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.185 -2.989 3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.964 -3.770 4.491 1.00 0.00 H new ATOM 309 N GLU A 22 0.300 -5.784 3.400 1.00 0.00 N ATOM 310 CA GLU A 22 -0.568 -6.862 3.858 1.00 0.00 C ATOM 311 C GLU A 22 -0.788 -7.890 2.752 1.00 0.00 C ATOM 312 O GLU A 22 -0.509 -9.076 2.928 1.00 0.00 O ATOM 313 CB GLU A 22 -1.913 -6.301 4.322 1.00 0.00 C ATOM 314 CG GLU A 22 -1.797 -5.311 5.470 1.00 0.00 C ATOM 315 CD GLU A 22 -0.643 -5.631 6.401 1.00 0.00 C ATOM 316 OE1 GLU A 22 0.516 -5.367 6.020 1.00 0.00 O ATOM 317 OE2 GLU A 22 -0.900 -6.145 7.509 1.00 0.00 O ATOM 0 H GLU A 22 -0.156 -4.874 3.333 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.079 -7.356 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.403 -5.812 3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.555 -7.127 4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.666 -4.307 5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.727 -5.308 6.038 1.00 0.00 H new ATOM 324 N ARG A 23 -1.291 -7.426 1.612 1.00 0.00 N ATOM 325 CA ARG A 23 -1.550 -8.305 0.478 1.00 0.00 C ATOM 326 C ARG A 23 -0.456 -9.361 0.347 1.00 0.00 C ATOM 327 O ARG A 23 -0.740 -10.550 0.204 1.00 0.00 O ATOM 328 CB ARG A 23 -1.646 -7.491 -0.814 1.00 0.00 C ATOM 329 CG ARG A 23 -2.093 -8.306 -2.016 1.00 0.00 C ATOM 330 CD ARG A 23 -1.605 -7.692 -3.318 1.00 0.00 C ATOM 331 NE ARG A 23 -1.711 -8.625 -4.437 1.00 0.00 N ATOM 332 CZ ARG A 23 -1.621 -8.259 -5.711 1.00 0.00 C ATOM 333 NH1 ARG A 23 -1.423 -6.986 -6.025 1.00 0.00 N ATOM 334 NH2 ARG A 23 -1.728 -9.167 -6.672 1.00 0.00 N ATOM 0 H ARG A 23 -1.527 -6.447 1.450 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.500 -8.811 0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.345 -6.668 -0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.673 -7.048 -1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.714 -9.324 -1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.181 -8.371 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.186 -6.796 -3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.567 -7.379 -3.204 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.862 -9.612 -4.229 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.340 -6.286 -5.288 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.354 -6.707 -7.004 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.880 -10.147 -6.433 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.659 -8.885 -7.650 1.00 0.00 H new ATOM 348 N LYS A 24 0.796 -8.917 0.395 1.00 0.00 N ATOM 349 CA LYS A 24 1.933 -9.822 0.282 1.00 0.00 C ATOM 350 C LYS A 24 1.729 -11.063 1.146 1.00 0.00 C ATOM 351 O LYS A 24 1.946 -12.188 0.694 1.00 0.00 O ATOM 352 CB LYS A 24 3.222 -9.108 0.694 1.00 0.00 C ATOM 353 CG LYS A 24 3.597 -7.954 -0.220 1.00 0.00 C ATOM 354 CD LYS A 24 5.098 -7.717 -0.232 1.00 0.00 C ATOM 355 CE LYS A 24 5.815 -8.727 -1.115 1.00 0.00 C ATOM 356 NZ LYS A 24 7.282 -8.744 -0.860 1.00 0.00 N ATOM 0 H LYS A 24 1.048 -7.936 0.511 1.00 0.00 H new ATOM 0 HA LYS A 24 2.014 -10.135 -0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.111 -8.733 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.039 -9.830 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.253 -8.164 -1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.087 -7.048 0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.305 -6.708 -0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.486 -7.781 0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.404 -9.721 -0.937 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.631 -8.489 -2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.734 -9.445 -1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.679 -7.802 -1.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.459 -8.997 0.133 1.00 0.00 H new ATOM 370 N ARG A 25 1.309 -10.851 2.389 1.00 0.00 N ATOM 371 CA ARG A 25 1.075 -11.953 3.315 1.00 0.00 C ATOM 372 C ARG A 25 -0.052 -12.852 2.816 1.00 0.00 C ATOM 373 O ARG A 25 -0.042 -14.062 3.043 1.00 0.00 O ATOM 374 CB ARG A 25 0.736 -11.414 4.706 1.00 0.00 C ATOM 375 CG ARG A 25 -0.751 -11.187 4.924 1.00 0.00 C ATOM 376 CD ARG A 25 -1.003 -10.057 5.910 1.00 0.00 C ATOM 377 NE ARG A 25 -2.417 -9.941 6.260 1.00 0.00 N ATOM 378 CZ ARG A 25 -3.067 -10.835 6.997 1.00 0.00 C ATOM 379 NH1 ARG A 25 -2.434 -11.904 7.460 1.00 0.00 N ATOM 380 NH2 ARG A 25 -4.353 -10.659 7.273 1.00 0.00 N ATOM 0 H ARG A 25 1.124 -9.927 2.778 1.00 0.00 H new ATOM 0 HA ARG A 25 1.988 -12.545 3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.102 -12.114 5.457 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.265 -10.474 4.861 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.228 -10.954 3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.210 -12.104 5.294 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.419 -10.228 6.814 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.658 -9.117 5.480 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.933 -9.130 5.920 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.445 -12.042 7.251 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.936 -12.589 8.026 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.843 -9.837 6.919 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.852 -11.346 7.839 1.00 0.00 H new ATOM 394 N LEU A 26 -1.023 -12.252 2.136 1.00 0.00 N ATOM 395 CA LEU A 26 -2.159 -12.998 1.606 1.00 0.00 C ATOM 396 C LEU A 26 -1.729 -13.894 0.448 1.00 0.00 C ATOM 397 O LEU A 26 -2.135 -15.052 0.362 1.00 0.00 O ATOM 398 CB LEU A 26 -3.254 -12.037 1.142 1.00 0.00 C ATOM 399 CG LEU A 26 -3.692 -10.979 2.156 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.903 -10.216 1.642 1.00 0.00 C ATOM 401 CD2 LEU A 26 -3.997 -11.624 3.501 1.00 0.00 C ATOM 0 H LEU A 26 -1.046 -11.252 1.939 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.552 -13.629 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.906 -11.528 0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.128 -12.623 0.858 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.874 -10.272 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.200 -9.468 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.651 -9.723 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.727 -10.910 1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.307 -10.857 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.798 -12.353 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.104 -12.125 3.875 1.00 0.00 H new ATOM 413 N ALA A 27 -0.903 -13.349 -0.440 1.00 0.00 N ATOM 414 CA ALA A 27 -0.415 -14.100 -1.590 1.00 0.00 C ATOM 415 C ALA A 27 0.288 -15.380 -1.151 1.00 0.00 C ATOM 416 O ALA A 27 -0.001 -16.462 -1.661 1.00 0.00 O ATOM 417 CB ALA A 27 0.524 -13.239 -2.422 1.00 0.00 C ATOM 0 H ALA A 27 -0.558 -12.391 -0.385 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.273 -14.379 -2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.881 -13.812 -3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.008 -12.355 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.373 -12.932 -1.811 1.00 0.00 H new ATOM 423 N GLN A 28 1.211 -15.249 -0.204 1.00 0.00 N ATOM 424 CA GLN A 28 1.955 -16.397 0.301 1.00 0.00 C ATOM 425 C GLN A 28 1.039 -17.344 1.068 1.00 0.00 C ATOM 426 O GLN A 28 1.216 -18.562 1.027 1.00 0.00 O ATOM 427 CB GLN A 28 3.099 -15.932 1.203 1.00 0.00 C ATOM 428 CG GLN A 28 2.641 -15.085 2.379 1.00 0.00 C ATOM 429 CD GLN A 28 3.572 -15.189 3.571 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.728 -15.590 3.438 1.00 0.00 O ATOM 431 NE2 GLN A 28 3.071 -14.827 4.747 1.00 0.00 N ATOM 0 H GLN A 28 1.462 -14.360 0.229 1.00 0.00 H new ATOM 0 HA GLN A 28 2.370 -16.934 -0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.631 -16.805 1.580 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.810 -15.358 0.608 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.572 -14.043 2.066 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.639 -15.395 2.677 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.107 -14.500 4.812 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.650 -14.876 5.585 1.00 0.00 H new ATOM 440 N GLN A 29 0.061 -16.778 1.767 1.00 0.00 N ATOM 441 CA GLN A 29 -0.882 -17.573 2.544 1.00 0.00 C ATOM 442 C GLN A 29 -1.838 -18.331 1.630 1.00 0.00 C ATOM 443 O GLN A 29 -2.255 -19.446 1.939 1.00 0.00 O ATOM 444 CB GLN A 29 -1.672 -16.677 3.499 1.00 0.00 C ATOM 445 CG GLN A 29 -1.022 -16.518 4.864 1.00 0.00 C ATOM 446 CD GLN A 29 -1.873 -15.713 5.826 1.00 0.00 C ATOM 447 OE1 GLN A 29 -2.366 -16.239 6.825 1.00 0.00 O ATOM 448 NE2 GLN A 29 -2.051 -14.431 5.530 1.00 0.00 N ATOM 0 H GLN A 29 -0.099 -15.772 1.811 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.313 -18.299 3.126 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.791 -15.693 3.046 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.672 -17.091 3.628 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.833 -17.504 5.289 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.054 -16.031 4.747 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.624 -14.037 4.692 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.615 -13.840 6.141 1.00 0.00 H new ATOM 457 N ASN A 30 -2.182 -17.717 0.502 1.00 0.00 N ATOM 458 CA ASN A 30 -3.091 -18.334 -0.457 1.00 0.00 C ATOM 459 C ASN A 30 -2.526 -18.251 -1.872 1.00 0.00 C ATOM 460 O ASN A 30 -2.855 -17.352 -2.646 1.00 0.00 O ATOM 461 CB ASN A 30 -4.461 -17.656 -0.402 1.00 0.00 C ATOM 462 CG ASN A 30 -5.103 -17.761 0.968 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.386 -18.857 1.451 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.337 -16.617 1.600 1.00 0.00 N ATOM 0 H ASN A 30 -1.845 -16.793 0.230 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.203 -19.385 -0.190 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.354 -16.605 -0.671 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.118 -18.110 -1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.768 -16.624 2.524 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.086 -15.731 1.161 1.00 0.00 H new ATOM 471 N PRO A 31 -1.656 -19.211 -2.220 1.00 0.00 N ATOM 472 CA PRO A 31 -1.028 -19.269 -3.543 1.00 0.00 C ATOM 473 C PRO A 31 -2.022 -19.636 -4.640 1.00 0.00 C ATOM 474 O PRO A 31 -1.689 -19.611 -5.825 1.00 0.00 O ATOM 475 CB PRO A 31 0.026 -20.367 -3.387 1.00 0.00 C ATOM 476 CG PRO A 31 -0.486 -21.231 -2.287 1.00 0.00 C ATOM 477 CD PRO A 31 -1.219 -20.314 -1.347 1.00 0.00 C ATOM 0 HA PRO A 31 -0.617 -18.305 -3.843 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.148 -20.933 -4.311 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.001 -19.947 -3.139 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.150 -22.004 -2.675 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.332 -21.740 -1.777 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.066 -20.814 -0.876 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.572 -19.960 -0.545 1.00 0.00 H new ATOM 485 N ASP A 32 -3.241 -19.975 -4.238 1.00 0.00 N ATOM 486 CA ASP A 32 -4.284 -20.346 -5.188 1.00 0.00 C ATOM 487 C ASP A 32 -5.329 -19.241 -5.306 1.00 0.00 C ATOM 488 O ASP A 32 -6.124 -19.221 -6.247 1.00 0.00 O ATOM 489 CB ASP A 32 -4.952 -21.653 -4.760 1.00 0.00 C ATOM 490 CG ASP A 32 -4.271 -22.872 -5.352 1.00 0.00 C ATOM 491 OD1 ASP A 32 -4.375 -23.072 -6.580 1.00 0.00 O ATOM 492 OD2 ASP A 32 -3.635 -23.625 -4.586 1.00 0.00 O ATOM 0 H ASP A 32 -3.532 -20.001 -3.261 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.819 -20.488 -6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.939 -21.725 -3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.998 -21.640 -5.066 1.00 0.00 H new ATOM 497 N LEU A 33 -5.324 -18.323 -4.345 1.00 0.00 N ATOM 498 CA LEU A 33 -6.272 -17.215 -4.341 1.00 0.00 C ATOM 499 C LEU A 33 -5.730 -16.031 -5.135 1.00 0.00 C ATOM 500 O LEU A 33 -4.518 -15.881 -5.298 1.00 0.00 O ATOM 501 CB LEU A 33 -6.576 -16.784 -2.905 1.00 0.00 C ATOM 502 CG LEU A 33 -7.448 -17.739 -2.088 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.838 -17.103 -0.763 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.687 -18.137 -2.877 1.00 0.00 C ATOM 0 H LEU A 33 -4.674 -18.325 -3.559 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.193 -17.555 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.631 -16.648 -2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.067 -15.811 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.871 -18.640 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.458 -17.797 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.939 -16.870 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.397 -16.186 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.296 -18.817 -2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.267 -17.246 -3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.387 -18.634 -3.800 1.00 0.00 H new ATOM 516 N HIS A 34 -6.635 -15.189 -5.625 1.00 0.00 N ATOM 517 CA HIS A 34 -6.247 -14.016 -6.400 1.00 0.00 C ATOM 518 C HIS A 34 -6.692 -12.734 -5.703 1.00 0.00 C ATOM 519 O HIS A 34 -7.447 -12.773 -4.733 1.00 0.00 O ATOM 520 CB HIS A 34 -6.850 -14.083 -7.803 1.00 0.00 C ATOM 521 CG HIS A 34 -8.333 -14.293 -7.809 1.00 0.00 C ATOM 522 ND1 HIS A 34 -9.239 -13.258 -7.903 1.00 0.00 N ATOM 523 CD2 HIS A 34 -9.067 -15.428 -7.733 1.00 0.00 C ATOM 524 CE1 HIS A 34 -10.466 -13.746 -7.883 1.00 0.00 C ATOM 525 NE2 HIS A 34 -10.390 -15.061 -7.781 1.00 0.00 N ATOM 0 H HIS A 34 -7.641 -15.297 -5.499 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.160 -14.007 -6.480 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.620 -13.158 -8.333 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.374 -14.893 -8.355 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.684 -16.434 -7.650 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.377 -13.168 -7.940 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.184 -15.700 -7.744 1.00 0.00 H new ATOM 534 N ASN A 35 -6.218 -11.598 -6.206 1.00 0.00 N ATOM 535 CA ASN A 35 -6.566 -10.304 -5.630 1.00 0.00 C ATOM 536 C ASN A 35 -7.997 -10.311 -5.101 1.00 0.00 C ATOM 537 O ASN A 35 -8.223 -10.274 -3.892 1.00 0.00 O ATOM 538 CB ASN A 35 -6.402 -9.198 -6.675 1.00 0.00 C ATOM 539 CG ASN A 35 -4.966 -9.047 -7.137 1.00 0.00 C ATOM 540 OD1 ASN A 35 -4.170 -9.981 -7.041 1.00 0.00 O ATOM 541 ND2 ASN A 35 -4.628 -7.866 -7.641 1.00 0.00 N ATOM 0 H ASN A 35 -5.593 -11.548 -7.010 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.891 -10.111 -4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.036 -9.417 -7.534 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.747 -8.253 -6.257 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.675 -7.705 -7.968 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.321 -7.120 -7.701 1.00 0.00 H new ATOM 548 N ALA A 36 -8.960 -10.359 -6.016 1.00 0.00 N ATOM 549 CA ALA A 36 -10.369 -10.374 -5.641 1.00 0.00 C ATOM 550 C ALA A 36 -10.583 -11.138 -4.339 1.00 0.00 C ATOM 551 O ALA A 36 -11.395 -10.743 -3.504 1.00 0.00 O ATOM 552 CB ALA A 36 -11.205 -10.983 -6.757 1.00 0.00 C ATOM 0 H ALA A 36 -8.790 -10.388 -7.021 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.689 -9.344 -5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.255 -10.988 -6.464 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.085 -10.393 -7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.875 -12.005 -6.942 1.00 0.00 H new ATOM 558 N GLU A 37 -9.850 -12.235 -4.175 1.00 0.00 N ATOM 559 CA GLU A 37 -9.962 -13.055 -2.974 1.00 0.00 C ATOM 560 C GLU A 37 -9.190 -12.432 -1.816 1.00 0.00 C ATOM 561 O GLU A 37 -9.678 -12.379 -0.686 1.00 0.00 O ATOM 562 CB GLU A 37 -9.444 -14.469 -3.245 1.00 0.00 C ATOM 563 CG GLU A 37 -10.302 -15.255 -4.222 1.00 0.00 C ATOM 564 CD GLU A 37 -11.387 -16.058 -3.531 1.00 0.00 C ATOM 565 OE1 GLU A 37 -12.027 -15.515 -2.606 1.00 0.00 O ATOM 566 OE2 GLU A 37 -11.596 -17.228 -3.914 1.00 0.00 O ATOM 0 H GLU A 37 -9.173 -12.576 -4.858 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.015 -13.108 -2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.428 -14.406 -3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.390 -15.014 -2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.761 -14.567 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.667 -15.929 -4.797 1.00 0.00 H new ATOM 573 N LEU A 38 -7.981 -11.962 -2.103 1.00 0.00 N ATOM 574 CA LEU A 38 -7.139 -11.342 -1.086 1.00 0.00 C ATOM 575 C LEU A 38 -7.831 -10.130 -0.471 1.00 0.00 C ATOM 576 O LEU A 38 -7.912 -10.002 0.751 1.00 0.00 O ATOM 577 CB LEU A 38 -5.797 -10.926 -1.691 1.00 0.00 C ATOM 578 CG LEU A 38 -5.143 -11.936 -2.634 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.783 -11.436 -3.092 1.00 0.00 C ATOM 580 CD2 LEU A 38 -5.014 -13.293 -1.956 1.00 0.00 C ATOM 0 H LEU A 38 -7.562 -11.999 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.963 -12.075 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.940 -9.992 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.103 -10.718 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.780 -12.049 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.333 -12.168 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.902 -10.488 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.137 -11.292 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.546 -13.999 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.400 -13.196 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.003 -13.657 -1.679 1.00 0.00 H new ATOM 592 N SER A 39 -8.330 -9.243 -1.326 1.00 0.00 N ATOM 593 CA SER A 39 -9.014 -8.040 -0.867 1.00 0.00 C ATOM 594 C SER A 39 -9.944 -8.355 0.300 1.00 0.00 C ATOM 595 O SER A 39 -9.832 -7.768 1.376 1.00 0.00 O ATOM 596 CB SER A 39 -9.809 -7.411 -2.013 1.00 0.00 C ATOM 597 OG SER A 39 -9.843 -5.999 -1.896 1.00 0.00 O ATOM 0 H SER A 39 -8.273 -9.335 -2.340 1.00 0.00 H new ATOM 0 HA SER A 39 -8.260 -7.331 -0.526 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.360 -7.689 -2.967 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.826 -7.804 -2.013 1.00 0.00 H new ATOM 0 HG SER A 39 -10.355 -5.621 -2.641 1.00 0.00 H new ATOM 603 N LYS A 40 -10.865 -9.288 0.079 1.00 0.00 N ATOM 604 CA LYS A 40 -11.816 -9.685 1.110 1.00 0.00 C ATOM 605 C LYS A 40 -11.169 -9.645 2.491 1.00 0.00 C ATOM 606 O LYS A 40 -11.823 -9.330 3.484 1.00 0.00 O ATOM 607 CB LYS A 40 -12.351 -11.090 0.826 1.00 0.00 C ATOM 608 CG LYS A 40 -13.265 -11.159 -0.385 1.00 0.00 C ATOM 609 CD LYS A 40 -14.723 -10.985 0.006 1.00 0.00 C ATOM 610 CE LYS A 40 -15.655 -11.371 -1.132 1.00 0.00 C ATOM 611 NZ LYS A 40 -16.972 -10.683 -1.029 1.00 0.00 N ATOM 0 H LYS A 40 -10.972 -9.783 -0.806 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.645 -8.978 1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.510 -11.766 0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.894 -11.447 1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.984 -10.385 -1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.134 -12.118 -0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.942 -11.598 0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.903 -9.948 0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.188 -11.120 -2.085 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.808 -12.450 -1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.578 -10.973 -1.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.430 -10.942 -0.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.829 -9.653 -1.060 1.00 0.00 H new ATOM 625 N MET A 41 -9.880 -9.966 2.545 1.00 0.00 N ATOM 626 CA MET A 41 -9.145 -9.965 3.804 1.00 0.00 C ATOM 627 C MET A 41 -8.515 -8.600 4.064 1.00 0.00 C ATOM 628 O MET A 41 -8.475 -8.130 5.202 1.00 0.00 O ATOM 629 CB MET A 41 -8.061 -11.044 3.788 1.00 0.00 C ATOM 630 CG MET A 41 -8.559 -12.398 3.307 1.00 0.00 C ATOM 631 SD MET A 41 -7.217 -13.558 2.987 1.00 0.00 S ATOM 632 CE MET A 41 -7.448 -13.869 1.239 1.00 0.00 C ATOM 0 H MET A 41 -9.324 -10.230 1.732 1.00 0.00 H new ATOM 0 HA MET A 41 -9.850 -10.180 4.607 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.244 -10.717 3.145 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.652 -11.152 4.793 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.229 -12.821 4.055 1.00 0.00 H new ATOM 0 HG3 MET A 41 -9.143 -12.264 2.396 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.841 -14.876 1.097 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.152 -13.144 0.830 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.492 -13.777 0.724 1.00 0.00 H new ATOM 642 N LEU A 42 -8.024 -7.968 3.003 1.00 0.00 N ATOM 643 CA LEU A 42 -7.395 -6.657 3.117 1.00 0.00 C ATOM 644 C LEU A 42 -8.399 -5.611 3.591 1.00 0.00 C ATOM 645 O LEU A 42 -8.028 -4.618 4.216 1.00 0.00 O ATOM 646 CB LEU A 42 -6.800 -6.236 1.772 1.00 0.00 C ATOM 647 CG LEU A 42 -5.669 -7.113 1.235 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.276 -6.679 -0.169 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.467 -7.063 2.166 1.00 0.00 C ATOM 0 H LEU A 42 -8.050 -8.342 2.055 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.596 -6.728 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.601 -6.218 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.429 -5.215 1.865 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.025 -8.142 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.470 -7.315 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.137 -6.768 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.940 -5.642 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.672 -7.693 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.111 -6.036 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.756 -7.424 3.153 1.00 0.00 H new ATOM 661 N GLY A 43 -9.674 -5.843 3.292 1.00 0.00 N ATOM 662 CA GLY A 43 -10.712 -4.913 3.697 1.00 0.00 C ATOM 663 C GLY A 43 -11.083 -5.060 5.159 1.00 0.00 C ATOM 664 O GLY A 43 -11.055 -4.088 5.915 1.00 0.00 O ATOM 0 H GLY A 43 -10.006 -6.658 2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.375 -3.893 3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.598 -5.072 3.083 1.00 0.00 H new ATOM 668 N LYS A 44 -11.433 -6.277 5.560 1.00 0.00 N ATOM 669 CA LYS A 44 -11.812 -6.549 6.941 1.00 0.00 C ATOM 670 C LYS A 44 -10.750 -6.035 7.908 1.00 0.00 C ATOM 671 O LYS A 44 -11.068 -5.530 8.984 1.00 0.00 O ATOM 672 CB LYS A 44 -12.021 -8.051 7.148 1.00 0.00 C ATOM 673 CG LYS A 44 -10.741 -8.862 7.057 1.00 0.00 C ATOM 674 CD LYS A 44 -10.967 -10.309 7.461 1.00 0.00 C ATOM 675 CE LYS A 44 -11.827 -11.044 6.444 1.00 0.00 C ATOM 676 NZ LYS A 44 -13.280 -10.838 6.695 1.00 0.00 N ATOM 0 H LYS A 44 -11.462 -7.092 4.947 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.747 -6.027 7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.476 -8.215 8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.727 -8.417 6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.357 -8.824 6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.982 -8.418 7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.006 -10.815 7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.448 -10.344 8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.579 -10.698 5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.600 -12.110 6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.757 -11.761 6.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.408 -10.326 7.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.692 -10.284 5.917 1.00 0.00 H new ATOM 690 N SER A 45 -9.486 -6.167 7.517 1.00 0.00 N ATOM 691 CA SER A 45 -8.377 -5.718 8.350 1.00 0.00 C ATOM 692 C SER A 45 -8.220 -4.202 8.275 1.00 0.00 C ATOM 693 O SER A 45 -7.759 -3.568 9.224 1.00 0.00 O ATOM 694 CB SER A 45 -7.077 -6.399 7.916 1.00 0.00 C ATOM 695 OG SER A 45 -6.996 -7.717 8.430 1.00 0.00 O ATOM 0 H SER A 45 -9.205 -6.581 6.628 1.00 0.00 H new ATOM 0 HA SER A 45 -8.596 -5.993 9.382 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.022 -6.426 6.828 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.224 -5.817 8.264 1.00 0.00 H new ATOM 0 HG SER A 45 -6.157 -8.131 8.137 1.00 0.00 H new ATOM 701 N TRP A 46 -8.606 -3.630 7.141 1.00 0.00 N ATOM 702 CA TRP A 46 -8.508 -2.188 6.941 1.00 0.00 C ATOM 703 C TRP A 46 -9.574 -1.453 7.747 1.00 0.00 C ATOM 704 O TRP A 46 -9.266 -0.763 8.718 1.00 0.00 O ATOM 705 CB TRP A 46 -8.649 -1.848 5.456 1.00 0.00 C ATOM 706 CG TRP A 46 -8.516 -0.383 5.168 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.481 0.445 4.669 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.350 0.426 5.358 1.00 0.00 C ATOM 709 NE1 TRP A 46 -8.985 1.720 4.538 1.00 0.00 N ATOM 710 CE2 TRP A 46 -7.680 1.734 4.955 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.060 0.172 5.832 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -6.766 2.783 5.011 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.154 1.214 5.886 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.510 2.506 5.478 1.00 0.00 C ATOM 0 H TRP A 46 -8.990 -4.141 6.346 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.528 -1.863 7.290 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -7.891 -2.392 4.892 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.620 -2.194 5.102 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.486 0.142 4.415 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.504 2.525 4.187 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.776 -0.820 6.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.039 3.780 4.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.154 1.029 6.249 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.779 3.299 5.533 1.00 0.00 H new ATOM 725 N LYS A 47 -10.829 -1.606 7.337 1.00 0.00 N ATOM 726 CA LYS A 47 -11.942 -0.958 8.022 1.00 0.00 C ATOM 727 C LYS A 47 -11.781 -1.057 9.536 1.00 0.00 C ATOM 728 O LYS A 47 -12.175 -0.153 10.271 1.00 0.00 O ATOM 729 CB LYS A 47 -13.268 -1.593 7.597 1.00 0.00 C ATOM 730 CG LYS A 47 -13.909 -0.915 6.398 1.00 0.00 C ATOM 731 CD LYS A 47 -14.707 -1.901 5.561 1.00 0.00 C ATOM 732 CE LYS A 47 -15.402 -2.937 6.432 1.00 0.00 C ATOM 733 NZ LYS A 47 -16.611 -3.498 5.768 1.00 0.00 N ATOM 0 H LYS A 47 -11.101 -2.173 6.534 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.944 0.096 7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.100 -2.644 7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.962 -1.561 8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.563 -0.113 6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.136 -0.456 5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.449 -1.363 4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.043 -2.402 4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.706 -3.744 6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.687 -2.482 7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.056 -4.200 6.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.286 -2.732 5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.336 -3.955 4.875 1.00 0.00 H new ATOM 747 N ALA A 48 -11.199 -2.161 9.993 1.00 0.00 N ATOM 748 CA ALA A 48 -10.983 -2.376 11.419 1.00 0.00 C ATOM 749 C ALA A 48 -10.019 -1.342 11.990 1.00 0.00 C ATOM 750 O ALA A 48 -10.255 -0.782 13.061 1.00 0.00 O ATOM 751 CB ALA A 48 -10.460 -3.783 11.667 1.00 0.00 C ATOM 0 H ALA A 48 -10.869 -2.920 9.397 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.940 -2.261 11.928 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.303 -3.930 12.736 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.186 -4.510 11.303 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.516 -3.918 11.140 1.00 0.00 H new ATOM 757 N LEU A 49 -8.930 -1.094 11.270 1.00 0.00 N ATOM 758 CA LEU A 49 -7.929 -0.127 11.705 1.00 0.00 C ATOM 759 C LEU A 49 -8.582 1.194 12.101 1.00 0.00 C ATOM 760 O LEU A 49 -9.707 1.489 11.695 1.00 0.00 O ATOM 761 CB LEU A 49 -6.904 0.111 10.595 1.00 0.00 C ATOM 762 CG LEU A 49 -5.971 -1.059 10.280 1.00 0.00 C ATOM 763 CD1 LEU A 49 -5.273 -0.841 8.947 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.952 -1.242 11.395 1.00 0.00 C ATOM 0 H LEU A 49 -8.718 -1.550 10.382 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.421 -0.536 12.578 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.440 0.377 9.684 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.294 0.972 10.869 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.569 -1.968 10.208 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.613 -1.684 8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.018 -0.760 8.155 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.687 0.077 8.989 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.296 -2.079 11.155 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.358 -0.334 11.498 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.471 -1.445 12.332 1.00 0.00 H new ATOM 776 N THR A 50 -7.869 1.986 12.895 1.00 0.00 N ATOM 777 CA THR A 50 -8.378 3.276 13.345 1.00 0.00 C ATOM 778 C THR A 50 -7.687 4.424 12.619 1.00 0.00 C ATOM 779 O THR A 50 -6.767 4.208 11.829 1.00 0.00 O ATOM 780 CB THR A 50 -8.189 3.455 14.863 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.794 3.506 15.181 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.847 2.318 15.629 1.00 0.00 C ATOM 0 H THR A 50 -6.937 1.757 13.240 1.00 0.00 H new ATOM 0 HA THR A 50 -9.443 3.294 13.114 1.00 0.00 H new ATOM 0 HB THR A 50 -8.663 4.392 15.157 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.683 3.622 16.148 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.700 2.467 16.699 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.914 2.301 15.409 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.399 1.370 15.330 1.00 0.00 H new ATOM 790 N LEU A 51 -8.135 5.644 12.891 1.00 0.00 N ATOM 791 CA LEU A 51 -7.559 6.828 12.263 1.00 0.00 C ATOM 792 C LEU A 51 -6.044 6.855 12.440 1.00 0.00 C ATOM 793 O LEU A 51 -5.295 6.872 11.463 1.00 0.00 O ATOM 794 CB LEU A 51 -8.175 8.096 12.857 1.00 0.00 C ATOM 795 CG LEU A 51 -7.621 9.421 12.333 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.345 9.796 13.072 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.367 9.338 10.835 1.00 0.00 C ATOM 0 H LEU A 51 -8.895 5.840 13.542 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.782 6.788 11.197 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.249 8.075 12.671 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.038 8.070 13.938 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.363 10.199 12.513 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.965 10.742 12.685 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.557 9.898 14.136 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.597 9.017 12.924 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.973 10.290 10.479 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.645 8.548 10.632 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.301 9.117 10.319 1.00 0.00 H new ATOM 809 N ALA A 52 -5.599 6.857 13.692 1.00 0.00 N ATOM 810 CA ALA A 52 -4.174 6.877 13.997 1.00 0.00 C ATOM 811 C ALA A 52 -3.425 5.821 13.191 1.00 0.00 C ATOM 812 O ALA A 52 -2.266 6.014 12.825 1.00 0.00 O ATOM 813 CB ALA A 52 -3.950 6.664 15.487 1.00 0.00 C ATOM 0 H ALA A 52 -6.205 6.845 14.512 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.782 7.855 13.718 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.881 6.681 15.700 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.445 7.458 16.046 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.363 5.700 15.783 1.00 0.00 H new ATOM 819 N GLU A 53 -4.095 4.706 12.919 1.00 0.00 N ATOM 820 CA GLU A 53 -3.491 3.619 12.157 1.00 0.00 C ATOM 821 C GLU A 53 -3.415 3.971 10.674 1.00 0.00 C ATOM 822 O GLU A 53 -2.468 3.596 9.983 1.00 0.00 O ATOM 823 CB GLU A 53 -4.290 2.328 12.347 1.00 0.00 C ATOM 824 CG GLU A 53 -4.038 1.646 13.681 1.00 0.00 C ATOM 825 CD GLU A 53 -2.763 0.826 13.685 1.00 0.00 C ATOM 826 OE1 GLU A 53 -2.300 0.445 12.589 1.00 0.00 O ATOM 827 OE2 GLU A 53 -2.228 0.565 14.782 1.00 0.00 O ATOM 0 H GLU A 53 -5.056 4.531 13.215 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.478 3.468 12.529 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.353 2.552 12.259 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.042 1.636 11.542 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.983 2.400 14.466 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.882 0.999 13.919 1.00 0.00 H new ATOM 834 N LYS A 54 -4.421 4.693 10.191 1.00 0.00 N ATOM 835 CA LYS A 54 -4.470 5.097 8.791 1.00 0.00 C ATOM 836 C LYS A 54 -3.709 6.401 8.574 1.00 0.00 C ATOM 837 O LYS A 54 -3.498 6.825 7.438 1.00 0.00 O ATOM 838 CB LYS A 54 -5.922 5.259 8.337 1.00 0.00 C ATOM 839 CG LYS A 54 -6.770 4.017 8.552 1.00 0.00 C ATOM 840 CD LYS A 54 -8.204 4.235 8.099 1.00 0.00 C ATOM 841 CE LYS A 54 -8.941 2.916 7.930 1.00 0.00 C ATOM 842 NZ LYS A 54 -9.524 2.437 9.214 1.00 0.00 N ATOM 0 H LYS A 54 -5.214 5.010 10.749 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.995 4.317 8.196 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.371 6.093 8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.936 5.519 7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.337 3.181 8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.758 3.746 9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.727 4.854 8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.210 4.780 7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.735 3.036 7.193 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.255 2.164 7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.509 1.397 9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.965 2.808 10.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.506 2.771 9.295 1.00 0.00 H new ATOM 856 N ARG A 55 -3.299 7.031 9.670 1.00 0.00 N ATOM 857 CA ARG A 55 -2.562 8.286 9.599 1.00 0.00 C ATOM 858 C ARG A 55 -1.318 8.137 8.728 1.00 0.00 C ATOM 859 O ARG A 55 -1.071 8.924 7.814 1.00 0.00 O ATOM 860 CB ARG A 55 -2.163 8.749 11.001 1.00 0.00 C ATOM 861 CG ARG A 55 -2.181 10.259 11.173 1.00 0.00 C ATOM 862 CD ARG A 55 -3.579 10.767 11.489 1.00 0.00 C ATOM 863 NE ARG A 55 -3.729 12.186 11.178 1.00 0.00 N ATOM 864 CZ ARG A 55 -3.203 13.159 11.914 1.00 0.00 C ATOM 865 NH1 ARG A 55 -2.496 12.867 12.997 1.00 0.00 N ATOM 866 NH2 ARG A 55 -3.382 14.427 11.567 1.00 0.00 N ATOM 0 H ARG A 55 -3.465 6.692 10.618 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.213 9.035 9.149 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.840 8.301 11.728 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.163 8.378 11.226 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.500 10.543 11.975 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.817 10.734 10.262 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.311 10.192 10.921 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.794 10.603 12.545 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.267 12.444 10.351 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.355 11.893 13.267 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.093 13.616 13.560 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.924 14.656 10.734 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.977 15.173 12.133 1.00 0.00 H new ATOM 880 N PRO A 56 -0.513 7.104 9.017 1.00 0.00 N ATOM 881 CA PRO A 56 0.719 6.827 8.272 1.00 0.00 C ATOM 882 C PRO A 56 0.442 6.341 6.854 1.00 0.00 C ATOM 883 O PRO A 56 1.245 6.555 5.946 1.00 0.00 O ATOM 884 CB PRO A 56 1.390 5.723 9.094 1.00 0.00 C ATOM 885 CG PRO A 56 0.270 5.052 9.812 1.00 0.00 C ATOM 886 CD PRO A 56 -0.745 6.125 10.093 1.00 0.00 C ATOM 0 HA PRO A 56 1.332 7.720 8.152 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.926 5.023 8.453 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.117 6.136 9.793 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.162 4.256 9.205 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.619 4.593 10.737 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.762 5.733 10.067 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.599 6.568 11.078 1.00 0.00 H new ATOM 894 N PHE A 57 -0.700 5.687 6.669 1.00 0.00 N ATOM 895 CA PHE A 57 -1.083 5.170 5.360 1.00 0.00 C ATOM 896 C PHE A 57 -1.980 6.162 4.626 1.00 0.00 C ATOM 897 O PHE A 57 -2.291 5.981 3.448 1.00 0.00 O ATOM 898 CB PHE A 57 -1.802 3.828 5.509 1.00 0.00 C ATOM 899 CG PHE A 57 -1.072 2.851 6.386 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.150 2.328 5.997 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.609 2.456 7.601 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.824 1.429 6.802 1.00 0.00 C ATOM 903 CE2 PHE A 57 -0.940 1.558 8.411 1.00 0.00 C ATOM 904 CZ PHE A 57 0.278 1.043 8.010 1.00 0.00 C ATOM 0 H PHE A 57 -1.377 5.502 7.409 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.176 5.025 4.774 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.796 4.001 5.921 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.938 3.386 4.522 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.582 2.626 5.053 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.561 2.855 7.919 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.776 1.029 6.487 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.369 1.259 9.356 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.802 0.340 8.640 1.00 0.00 H new ATOM 914 N VAL A 58 -2.394 7.211 5.330 1.00 0.00 N ATOM 915 CA VAL A 58 -3.255 8.232 4.745 1.00 0.00 C ATOM 916 C VAL A 58 -2.438 9.415 4.237 1.00 0.00 C ATOM 917 O VAL A 58 -2.779 10.028 3.226 1.00 0.00 O ATOM 918 CB VAL A 58 -4.294 8.739 5.763 1.00 0.00 C ATOM 919 CG1 VAL A 58 -4.852 10.087 5.330 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.411 7.721 5.935 1.00 0.00 C ATOM 0 H VAL A 58 -2.147 7.376 6.306 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.774 7.767 3.907 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.800 8.869 6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.584 10.429 6.061 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.041 10.812 5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.331 9.987 4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.136 8.095 6.658 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.905 7.557 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.994 6.780 6.294 1.00 0.00 H new ATOM 930 N GLU A 59 -1.358 9.729 4.946 1.00 0.00 N ATOM 931 CA GLU A 59 -0.492 10.839 4.566 1.00 0.00 C ATOM 932 C GLU A 59 0.457 10.429 3.444 1.00 0.00 C ATOM 933 O GLU A 59 1.145 11.268 2.863 1.00 0.00 O ATOM 934 CB GLU A 59 0.309 11.327 5.775 1.00 0.00 C ATOM 935 CG GLU A 59 -0.550 11.640 6.988 1.00 0.00 C ATOM 936 CD GLU A 59 -1.016 13.083 7.016 1.00 0.00 C ATOM 937 OE1 GLU A 59 -0.242 13.966 6.591 1.00 0.00 O ATOM 938 OE2 GLU A 59 -2.155 13.329 7.465 1.00 0.00 O ATOM 0 H GLU A 59 -1.062 9.231 5.786 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.123 11.652 4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.042 10.567 6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.866 12.221 5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.419 10.981 6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.017 11.427 7.895 1.00 0.00 H new ATOM 945 N GLU A 60 0.489 9.134 3.146 1.00 0.00 N ATOM 946 CA GLU A 60 1.355 8.613 2.095 1.00 0.00 C ATOM 947 C GLU A 60 0.600 8.501 0.774 1.00 0.00 C ATOM 948 O GLU A 60 1.056 8.992 -0.258 1.00 0.00 O ATOM 949 CB GLU A 60 1.912 7.245 2.495 1.00 0.00 C ATOM 950 CG GLU A 60 2.479 6.455 1.327 1.00 0.00 C ATOM 951 CD GLU A 60 3.580 5.501 1.749 1.00 0.00 C ATOM 952 OE1 GLU A 60 4.604 5.976 2.283 1.00 0.00 O ATOM 953 OE2 GLU A 60 3.417 4.280 1.544 1.00 0.00 O ATOM 0 H GLU A 60 -0.075 8.427 3.617 1.00 0.00 H new ATOM 0 HA GLU A 60 2.183 9.310 1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.693 7.384 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.120 6.663 2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.677 5.891 0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.869 7.147 0.580 1.00 0.00 H new ATOM 960 N ALA A 61 -0.558 7.850 0.814 1.00 0.00 N ATOM 961 CA ALA A 61 -1.378 7.674 -0.378 1.00 0.00 C ATOM 962 C ALA A 61 -1.781 9.020 -0.970 1.00 0.00 C ATOM 963 O ALA A 61 -1.935 9.152 -2.184 1.00 0.00 O ATOM 964 CB ALA A 61 -2.612 6.846 -0.053 1.00 0.00 C ATOM 0 H ALA A 61 -0.949 7.436 1.660 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.785 7.143 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.215 6.723 -0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.306 5.867 0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.200 7.354 0.711 1.00 0.00 H new ATOM 970 N GLU A 62 -1.952 10.014 -0.105 1.00 0.00 N ATOM 971 CA GLU A 62 -2.340 11.350 -0.545 1.00 0.00 C ATOM 972 C GLU A 62 -1.261 11.966 -1.431 1.00 0.00 C ATOM 973 O GLU A 62 -1.557 12.751 -2.332 1.00 0.00 O ATOM 974 CB GLU A 62 -2.600 12.252 0.663 1.00 0.00 C ATOM 975 CG GLU A 62 -2.743 13.722 0.305 1.00 0.00 C ATOM 976 CD GLU A 62 -3.619 14.479 1.284 1.00 0.00 C ATOM 977 OE1 GLU A 62 -3.547 14.182 2.495 1.00 0.00 O ATOM 978 OE2 GLU A 62 -4.376 15.367 0.840 1.00 0.00 O ATOM 0 H GLU A 62 -1.828 9.921 0.903 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.257 11.261 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.508 11.919 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.782 12.138 1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.756 14.183 0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.165 13.809 -0.696 1.00 0.00 H new ATOM 985 N ARG A 63 -0.010 11.604 -1.168 1.00 0.00 N ATOM 986 CA ARG A 63 1.114 12.122 -1.939 1.00 0.00 C ATOM 987 C ARG A 63 1.216 11.418 -3.289 1.00 0.00 C ATOM 988 O ARG A 63 1.543 12.039 -4.302 1.00 0.00 O ATOM 989 CB ARG A 63 2.419 11.947 -1.161 1.00 0.00 C ATOM 990 CG ARG A 63 2.410 12.620 0.202 1.00 0.00 C ATOM 991 CD ARG A 63 3.562 12.138 1.069 1.00 0.00 C ATOM 992 NE ARG A 63 4.825 12.772 0.703 1.00 0.00 N ATOM 993 CZ ARG A 63 6.007 12.375 1.161 1.00 0.00 C ATOM 994 NH1 ARG A 63 6.087 11.350 1.998 1.00 0.00 N ATOM 995 NH2 ARG A 63 7.113 13.003 0.781 1.00 0.00 N ATOM 0 H ARG A 63 0.251 10.954 -0.427 1.00 0.00 H new ATOM 0 HA ARG A 63 0.944 13.184 -2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.614 10.883 -1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.241 12.352 -1.751 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.476 13.701 0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.465 12.415 0.704 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.341 12.348 2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.659 11.056 0.975 1.00 0.00 H new ATOM 0 HE ARG A 63 4.798 13.563 0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.240 10.864 2.292 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.996 11.047 2.348 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.056 13.792 0.137 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.020 12.697 1.134 1.00 0.00 H new