USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 269 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 10 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0446) USER MOD Single : A 17 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.113) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.219 K(o=-0.22,f=-7.5!) USER MOD Single : A 31 HIS : no HD1:sc= -0.616 X(o=-0.62,f=-0.89) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0.01) USER MOD Single : A 36 SER OG : rot 109:sc= 0.123 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 128 N LYS A 10 -7.575 -4.030 0.763 1.00 0.00 N ATOM 129 CA LYS A 10 -7.029 -4.908 1.789 1.00 0.00 C ATOM 130 C LYS A 10 -5.870 -5.564 1.061 1.00 0.00 C ATOM 131 O LYS A 10 -6.057 -6.568 0.371 1.00 0.00 O ATOM 132 CB LYS A 10 -8.048 -5.950 2.277 1.00 0.00 C ATOM 133 CG LYS A 10 -9.171 -5.377 3.155 1.00 0.00 C ATOM 134 CD LYS A 10 -8.688 -5.008 4.567 1.00 0.00 C ATOM 135 CE LYS A 10 -8.133 -3.583 4.701 1.00 0.00 C ATOM 136 NZ LYS A 10 -9.173 -2.550 4.566 1.00 0.00 N ATOM 0 HA LYS A 10 -6.742 -4.377 2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.494 -6.438 1.410 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.521 -6.720 2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.587 -4.491 2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.977 -6.107 3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.518 -5.127 5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.915 -5.715 4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.646 -3.477 5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.368 -3.423 3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.770 -1.620 4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.527 -2.540 3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.957 -2.760 5.216 1.00 0.00 H new ATOM 150 N LEU A 11 -4.686 -4.965 1.177 1.00 0.00 N ATOM 151 CA LEU A 11 -3.465 -5.435 0.537 1.00 0.00 C ATOM 152 C LEU A 11 -3.229 -6.921 0.811 1.00 0.00 C ATOM 153 O LEU A 11 -3.704 -7.431 1.834 1.00 0.00 O ATOM 154 CB LEU A 11 -2.264 -4.577 0.988 1.00 0.00 C ATOM 155 CG LEU A 11 -2.089 -3.265 0.205 1.00 0.00 C ATOM 156 CD1 LEU A 11 -1.679 -3.517 -1.250 1.00 0.00 C ATOM 157 CD2 LEU A 11 -3.351 -2.406 0.244 1.00 0.00 C ATOM 0 H LEU A 11 -4.549 -4.120 1.732 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.577 -5.325 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.379 -4.342 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.354 -5.168 0.890 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.285 -2.721 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.566 -2.564 -1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.732 -4.056 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.447 -4.110 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.184 -1.489 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.181 -2.958 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.590 -2.157 1.278 1.00 0.00 H new ATOM 169 N PRO A 12 -2.520 -7.621 -0.087 1.00 0.00 N ATOM 170 CA PRO A 12 -2.239 -9.034 0.084 1.00 0.00 C ATOM 171 C PRO A 12 -1.394 -9.296 1.328 1.00 0.00 C ATOM 172 O PRO A 12 -0.776 -8.369 1.854 1.00 0.00 O ATOM 173 CB PRO A 12 -1.510 -9.481 -1.177 1.00 0.00 C ATOM 174 CG PRO A 12 -1.041 -8.205 -1.863 1.00 0.00 C ATOM 175 CD PRO A 12 -1.932 -7.105 -1.311 1.00 0.00 C ATOM 0 HA PRO A 12 -3.163 -9.595 0.228 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.666 -10.126 -0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.171 -10.054 -1.828 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.009 -8.006 -1.649 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.136 -8.282 -2.946 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.355 -6.202 -1.113 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.706 -6.837 -2.030 1.00 0.00 H new ATOM 183 N PRO A 13 -1.349 -10.549 1.800 1.00 0.00 N ATOM 184 CA PRO A 13 -0.574 -10.901 2.968 1.00 0.00 C ATOM 185 C PRO A 13 0.893 -10.617 2.660 1.00 0.00 C ATOM 186 O PRO A 13 1.456 -11.084 1.670 1.00 0.00 O ATOM 187 CB PRO A 13 -0.891 -12.365 3.265 1.00 0.00 C ATOM 188 CG PRO A 13 -1.319 -12.903 1.906 1.00 0.00 C ATOM 189 CD PRO A 13 -2.018 -11.717 1.251 1.00 0.00 C ATOM 0 HA PRO A 13 -0.812 -10.322 3.860 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.022 -12.896 3.654 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.684 -12.464 4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.463 -13.237 1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.989 -13.757 2.006 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.926 -11.753 0.165 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.083 -11.708 1.481 1.00 0.00 H new ATOM 197 N GLY A 14 1.500 -9.815 3.524 1.00 0.00 N ATOM 198 CA GLY A 14 2.879 -9.379 3.457 1.00 0.00 C ATOM 199 C GLY A 14 2.971 -7.935 3.006 1.00 0.00 C ATOM 200 O GLY A 14 3.897 -7.238 3.411 1.00 0.00 O ATOM 0 H GLY A 14 1.012 -9.433 4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.347 -9.489 4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.432 -10.015 2.766 1.00 0.00 H new ATOM 204 N TRP A 15 2.025 -7.454 2.201 1.00 0.00 N ATOM 205 CA TRP A 15 2.032 -6.086 1.736 1.00 0.00 C ATOM 206 C TRP A 15 1.211 -5.254 2.706 1.00 0.00 C ATOM 207 O TRP A 15 0.170 -5.663 3.218 1.00 0.00 O ATOM 208 CB TRP A 15 1.530 -5.996 0.310 1.00 0.00 C ATOM 209 CG TRP A 15 2.484 -6.565 -0.691 1.00 0.00 C ATOM 210 CD1 TRP A 15 2.611 -7.856 -1.075 1.00 0.00 C ATOM 211 CD2 TRP A 15 3.495 -5.830 -1.426 1.00 0.00 C ATOM 212 NE1 TRP A 15 3.572 -7.946 -2.065 1.00 0.00 N ATOM 213 CE2 TRP A 15 4.139 -6.717 -2.335 1.00 0.00 C ATOM 214 CE3 TRP A 15 3.904 -4.483 -1.416 1.00 0.00 C ATOM 215 CZ2 TRP A 15 5.132 -6.267 -3.221 1.00 0.00 C ATOM 216 CZ3 TRP A 15 4.877 -4.021 -2.317 1.00 0.00 C ATOM 217 CH2 TRP A 15 5.495 -4.909 -3.216 1.00 0.00 C ATOM 0 H TRP A 15 1.239 -8.007 1.859 1.00 0.00 H new ATOM 0 HA TRP A 15 3.048 -5.692 1.714 1.00 0.00 H new ATOM 0 HB2 TRP A 15 0.578 -6.522 0.234 1.00 0.00 H new ATOM 0 HB3 TRP A 15 1.338 -4.951 0.065 1.00 0.00 H new ATOM 0 HD1 TRP A 15 2.050 -8.686 -0.672 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.830 -8.813 -2.537 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.464 -3.797 -0.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.612 -6.957 -3.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.153 -2.977 -2.320 1.00 0.00 H new ATOM 0 HH2 TRP A 15 6.247 -4.548 -3.901 1.00 0.00 H new ATOM 228 N GLU A 16 1.664 -4.032 2.901 1.00 0.00 N ATOM 229 CA GLU A 16 1.097 -3.062 3.798 1.00 0.00 C ATOM 230 C GLU A 16 1.093 -1.697 3.140 1.00 0.00 C ATOM 231 O GLU A 16 2.112 -1.259 2.609 1.00 0.00 O ATOM 232 CB GLU A 16 2.031 -3.021 5.008 1.00 0.00 C ATOM 233 CG GLU A 16 1.670 -4.034 6.095 1.00 0.00 C ATOM 234 CD GLU A 16 0.770 -3.425 7.179 1.00 0.00 C ATOM 235 OE1 GLU A 16 -0.105 -2.588 6.869 1.00 0.00 O ATOM 236 OE2 GLU A 16 1.113 -3.596 8.377 1.00 0.00 O ATOM 0 H GLU A 16 2.483 -3.676 2.408 1.00 0.00 H new ATOM 0 HA GLU A 16 0.074 -3.320 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.052 -3.207 4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.013 -2.019 5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.164 -4.886 5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.583 -4.413 6.554 1.00 0.00 H new ATOM 243 N LYS A 17 -0.049 -1.022 3.143 1.00 0.00 N ATOM 244 CA LYS A 17 -0.154 0.308 2.575 1.00 0.00 C ATOM 245 C LYS A 17 0.459 1.272 3.583 1.00 0.00 C ATOM 246 O LYS A 17 0.097 1.299 4.763 1.00 0.00 O ATOM 247 CB LYS A 17 -1.615 0.603 2.251 1.00 0.00 C ATOM 248 CG LYS A 17 -1.806 1.952 1.552 1.00 0.00 C ATOM 249 CD LYS A 17 -3.257 2.195 1.109 1.00 0.00 C ATOM 250 CE LYS A 17 -4.152 2.812 2.186 1.00 0.00 C ATOM 251 NZ LYS A 17 -4.823 1.814 3.045 1.00 0.00 N ATOM 0 H LYS A 17 -0.919 -1.380 3.536 1.00 0.00 H new ATOM 0 HA LYS A 17 0.387 0.410 1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.009 -0.190 1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.197 0.591 3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.498 2.752 2.226 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.152 2.000 0.681 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.253 2.850 0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.691 1.247 0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.550 3.471 2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.909 3.432 1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.582 2.276 3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.228 1.062 2.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.131 1.401 3.703 1.00 0.00 H new ATOM 265 N ARG A 18 1.399 2.082 3.128 1.00 0.00 N ATOM 266 CA ARG A 18 2.128 3.080 3.886 1.00 0.00 C ATOM 267 C ARG A 18 2.009 4.418 3.171 1.00 0.00 C ATOM 268 O ARG A 18 1.319 4.541 2.161 1.00 0.00 O ATOM 269 CB ARG A 18 3.597 2.624 3.952 1.00 0.00 C ATOM 270 CG ARG A 18 3.780 1.287 4.681 1.00 0.00 C ATOM 271 CD ARG A 18 3.625 1.464 6.196 1.00 0.00 C ATOM 272 NE ARG A 18 3.762 0.190 6.911 1.00 0.00 N ATOM 273 CZ ARG A 18 2.790 -0.580 7.413 1.00 0.00 C ATOM 274 NH1 ARG A 18 1.503 -0.302 7.202 1.00 0.00 N ATOM 275 NH2 ARG A 18 3.128 -1.663 8.100 1.00 0.00 N ATOM 0 H ARG A 18 1.692 2.057 2.151 1.00 0.00 H new ATOM 0 HA ARG A 18 1.732 3.192 4.895 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.989 2.535 2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.187 3.390 4.456 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.047 0.567 4.318 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.765 0.878 4.458 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.375 2.167 6.558 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.650 1.899 6.413 1.00 0.00 H new ATOM 0 HE ARG A 18 4.715 -0.150 7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.242 0.513 6.647 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.780 -0.904 7.595 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.112 -1.894 8.236 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.404 -2.265 8.492 1.00 0.00 H new ATOM 289 N MET A 19 2.622 5.450 3.730 1.00 0.00 N ATOM 290 CA MET A 19 2.657 6.791 3.190 1.00 0.00 C ATOM 291 C MET A 19 4.068 7.307 3.436 1.00 0.00 C ATOM 292 O MET A 19 4.633 7.113 4.516 1.00 0.00 O ATOM 293 CB MET A 19 1.593 7.699 3.824 1.00 0.00 C ATOM 294 CG MET A 19 1.644 9.084 3.164 1.00 0.00 C ATOM 295 SD MET A 19 0.562 10.352 3.864 1.00 0.00 S ATOM 296 CE MET A 19 -1.041 9.796 3.225 1.00 0.00 C ATOM 0 H MET A 19 3.129 5.367 4.611 1.00 0.00 H new ATOM 0 HA MET A 19 2.421 6.788 2.126 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.603 7.260 3.698 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.768 7.788 4.896 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.671 9.447 3.212 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.396 8.968 2.109 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.824 10.474 3.566 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.016 9.790 2.135 1.00 0.00 H new ATOM 0 HE3 MET A 19 -1.248 8.790 3.589 1.00 0.00 H new ATOM 306 N GLU A 20 4.648 7.935 2.419 1.00 0.00 N ATOM 307 CA GLU A 20 5.984 8.499 2.488 1.00 0.00 C ATOM 308 C GLU A 20 5.907 9.713 3.391 1.00 0.00 C ATOM 309 O GLU A 20 5.109 10.604 3.111 1.00 0.00 O ATOM 310 CB GLU A 20 6.456 8.957 1.094 1.00 0.00 C ATOM 311 CG GLU A 20 7.227 7.870 0.341 1.00 0.00 C ATOM 312 CD GLU A 20 8.457 7.381 1.118 1.00 0.00 C ATOM 313 OE1 GLU A 20 8.964 8.113 1.998 1.00 0.00 O ATOM 314 OE2 GLU A 20 8.890 6.229 0.890 1.00 0.00 O ATOM 0 H GLU A 20 4.195 8.066 1.514 1.00 0.00 H new ATOM 0 HA GLU A 20 6.684 7.752 2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.591 9.257 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.090 9.837 1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.564 7.027 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.543 8.257 -0.628 1.00 0.00 H new ATOM 321 N ARG A 21 6.671 9.770 4.480 1.00 0.00 N ATOM 322 CA ARG A 21 6.617 10.947 5.338 1.00 0.00 C ATOM 323 C ARG A 21 7.212 12.138 4.596 1.00 0.00 C ATOM 324 O ARG A 21 6.614 13.211 4.606 1.00 0.00 O ATOM 325 CB ARG A 21 7.337 10.697 6.666 1.00 0.00 C ATOM 326 CG ARG A 21 7.241 11.942 7.558 1.00 0.00 C ATOM 327 CD ARG A 21 7.593 11.639 9.007 1.00 0.00 C ATOM 328 NE ARG A 21 9.018 11.335 9.191 1.00 0.00 N ATOM 329 CZ ARG A 21 9.575 11.157 10.392 1.00 0.00 C ATOM 330 NH1 ARG A 21 8.837 11.215 11.496 1.00 0.00 N ATOM 331 NH2 ARG A 21 10.871 10.926 10.490 1.00 0.00 N ATOM 0 H ARG A 21 7.315 9.039 4.781 1.00 0.00 H new ATOM 0 HA ARG A 21 5.577 11.166 5.579 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.893 9.841 7.174 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.383 10.452 6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.911 12.713 7.177 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.230 12.346 7.508 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.325 12.493 9.628 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.998 10.794 9.352 1.00 0.00 H new ATOM 0 HE ARG A 21 9.610 11.256 8.364 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.835 11.397 11.431 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.272 11.078 12.408 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.446 10.884 9.649 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.297 10.790 11.407 1.00 0.00 H new ATOM 345 N SER A 22 8.343 11.934 3.919 1.00 0.00 N ATOM 346 CA SER A 22 9.058 12.960 3.173 1.00 0.00 C ATOM 347 C SER A 22 8.248 13.663 2.077 1.00 0.00 C ATOM 348 O SER A 22 8.675 14.735 1.648 1.00 0.00 O ATOM 349 CB SER A 22 10.318 12.335 2.568 1.00 0.00 C ATOM 350 OG SER A 22 11.114 11.729 3.576 1.00 0.00 O ATOM 0 H SER A 22 8.797 11.022 3.876 1.00 0.00 H new ATOM 0 HA SER A 22 9.294 13.746 3.891 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.038 11.591 1.823 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.897 13.101 2.052 1.00 0.00 H new ATOM 0 HG SER A 22 11.913 11.334 3.169 1.00 0.00 H new ATOM 356 N SER A 23 7.169 13.076 1.546 1.00 0.00 N ATOM 357 CA SER A 23 6.365 13.733 0.508 1.00 0.00 C ATOM 358 C SER A 23 4.855 13.619 0.690 1.00 0.00 C ATOM 359 O SER A 23 4.106 14.403 0.107 1.00 0.00 O ATOM 360 CB SER A 23 6.764 13.232 -0.877 1.00 0.00 C ATOM 361 OG SER A 23 8.153 13.432 -1.059 1.00 0.00 O ATOM 0 H SER A 23 6.833 12.152 1.816 1.00 0.00 H new ATOM 0 HA SER A 23 6.591 14.795 0.609 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.520 12.175 -0.979 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.203 13.764 -1.645 1.00 0.00 H new ATOM 0 HG SER A 23 8.416 13.111 -1.947 1.00 0.00 H new ATOM 367 N GLY A 24 4.394 12.667 1.494 1.00 0.00 N ATOM 368 CA GLY A 24 2.986 12.433 1.733 1.00 0.00 C ATOM 369 C GLY A 24 2.434 11.756 0.497 1.00 0.00 C ATOM 370 O GLY A 24 1.542 12.289 -0.162 1.00 0.00 O ATOM 0 H GLY A 24 5.004 12.028 2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.843 11.805 2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.466 13.372 1.923 1.00 0.00 H new ATOM 374 N ARG A 25 3.007 10.605 0.134 1.00 0.00 N ATOM 375 CA ARG A 25 2.616 9.833 -1.037 1.00 0.00 C ATOM 376 C ARG A 25 2.292 8.430 -0.573 1.00 0.00 C ATOM 377 O ARG A 25 3.123 7.820 0.094 1.00 0.00 O ATOM 378 CB ARG A 25 3.756 9.851 -2.058 1.00 0.00 C ATOM 379 CG ARG A 25 3.246 9.538 -3.477 1.00 0.00 C ATOM 380 CD ARG A 25 2.816 10.785 -4.253 1.00 0.00 C ATOM 381 NE ARG A 25 3.990 11.623 -4.544 1.00 0.00 N ATOM 382 CZ ARG A 25 4.122 12.937 -4.355 1.00 0.00 C ATOM 383 NH1 ARG A 25 3.077 13.681 -4.017 1.00 0.00 N ATOM 384 NH2 ARG A 25 5.328 13.479 -4.465 1.00 0.00 N ATOM 0 H ARG A 25 3.770 10.180 0.660 1.00 0.00 H new ATOM 0 HA ARG A 25 1.738 10.256 -1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.237 10.829 -2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.513 9.121 -1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.031 9.025 -4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.402 8.851 -3.409 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.326 10.495 -5.182 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.088 11.352 -3.673 1.00 0.00 H new ATOM 0 HE ARG A 25 4.799 11.142 -4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.160 13.249 -3.899 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.190 14.685 -3.875 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.132 12.893 -4.690 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.451 14.482 -4.324 1.00 0.00 H new ATOM 398 N VAL A 26 1.081 7.958 -0.819 1.00 0.00 N ATOM 399 CA VAL A 26 0.670 6.620 -0.408 1.00 0.00 C ATOM 400 C VAL A 26 1.399 5.613 -1.293 1.00 0.00 C ATOM 401 O VAL A 26 1.605 5.888 -2.475 1.00 0.00 O ATOM 402 CB VAL A 26 -0.861 6.484 -0.498 1.00 0.00 C ATOM 403 CG1 VAL A 26 -1.349 5.161 0.102 1.00 0.00 C ATOM 404 CG2 VAL A 26 -1.537 7.628 0.269 1.00 0.00 C ATOM 0 H VAL A 26 0.357 8.486 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 26 0.935 6.429 0.632 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.123 6.517 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.434 5.103 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.899 4.328 -0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.062 5.110 1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.620 7.523 0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.236 7.592 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.237 8.583 -0.163 1.00 0.00 H new ATOM 414 N TYR A 27 1.820 4.480 -0.736 1.00 0.00 N ATOM 415 CA TYR A 27 2.525 3.411 -1.438 1.00 0.00 C ATOM 416 C TYR A 27 2.292 2.087 -0.709 1.00 0.00 C ATOM 417 O TYR A 27 1.661 2.069 0.350 1.00 0.00 O ATOM 418 CB TYR A 27 4.020 3.752 -1.555 1.00 0.00 C ATOM 419 CG TYR A 27 4.860 3.601 -0.300 1.00 0.00 C ATOM 420 CD1 TYR A 27 4.933 4.629 0.661 1.00 0.00 C ATOM 421 CD2 TYR A 27 5.651 2.454 -0.149 1.00 0.00 C ATOM 422 CE1 TYR A 27 5.814 4.515 1.756 1.00 0.00 C ATOM 423 CE2 TYR A 27 6.494 2.310 0.960 1.00 0.00 C ATOM 424 CZ TYR A 27 6.610 3.352 1.905 1.00 0.00 C ATOM 425 OH TYR A 27 7.543 3.250 2.892 1.00 0.00 O ATOM 0 H TYR A 27 1.674 4.274 0.252 1.00 0.00 H new ATOM 0 HA TYR A 27 2.137 3.310 -2.452 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.452 3.120 -2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.107 4.783 -1.899 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.312 5.507 0.559 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.610 1.674 -0.895 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.882 5.313 2.480 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.057 1.398 1.093 1.00 0.00 H new ATOM 0 HH TYR A 27 7.987 2.378 2.833 1.00 0.00 H new ATOM 435 N TYR A 28 2.809 0.983 -1.241 1.00 0.00 N ATOM 436 CA TYR A 28 2.678 -0.352 -0.669 1.00 0.00 C ATOM 437 C TYR A 28 4.068 -0.858 -0.289 1.00 0.00 C ATOM 438 O TYR A 28 5.031 -0.601 -1.003 1.00 0.00 O ATOM 439 CB TYR A 28 1.947 -1.250 -1.674 1.00 0.00 C ATOM 440 CG TYR A 28 0.589 -0.702 -2.103 1.00 0.00 C ATOM 441 CD1 TYR A 28 -0.386 -0.402 -1.133 1.00 0.00 C ATOM 442 CD2 TYR A 28 0.306 -0.439 -3.457 1.00 0.00 C ATOM 443 CE1 TYR A 28 -1.621 0.154 -1.507 1.00 0.00 C ATOM 444 CE2 TYR A 28 -0.938 0.104 -3.837 1.00 0.00 C ATOM 445 CZ TYR A 28 -1.912 0.407 -2.861 1.00 0.00 C ATOM 446 OH TYR A 28 -3.091 0.999 -3.214 1.00 0.00 O ATOM 0 H TYR A 28 3.347 0.994 -2.108 1.00 0.00 H new ATOM 0 HA TYR A 28 2.081 -0.350 0.243 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.573 -1.379 -2.557 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.809 -2.238 -1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.183 -0.601 -0.091 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.049 -0.655 -4.211 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.354 0.389 -0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.147 0.289 -4.880 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.128 1.100 -4.188 1.00 0.00 H new ATOM 456 N PHE A 29 4.195 -1.596 0.813 1.00 0.00 N ATOM 457 CA PHE A 29 5.456 -2.125 1.328 1.00 0.00 C ATOM 458 C PHE A 29 5.293 -3.592 1.675 1.00 0.00 C ATOM 459 O PHE A 29 4.363 -3.922 2.400 1.00 0.00 O ATOM 460 CB PHE A 29 5.855 -1.337 2.587 1.00 0.00 C ATOM 461 CG PHE A 29 7.192 -1.753 3.175 1.00 0.00 C ATOM 462 CD1 PHE A 29 7.313 -2.929 3.946 1.00 0.00 C ATOM 463 CD2 PHE A 29 8.339 -0.981 2.909 1.00 0.00 C ATOM 464 CE1 PHE A 29 8.578 -3.333 4.410 1.00 0.00 C ATOM 465 CE2 PHE A 29 9.600 -1.385 3.382 1.00 0.00 C ATOM 466 CZ PHE A 29 9.721 -2.566 4.130 1.00 0.00 C ATOM 0 H PHE A 29 3.394 -1.851 1.392 1.00 0.00 H new ATOM 0 HA PHE A 29 6.232 -2.023 0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.891 -0.275 2.343 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.081 -1.464 3.344 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.437 -3.517 4.179 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.249 -0.070 2.336 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.671 -4.241 4.987 1.00 0.00 H new ATOM 0 HE2 PHE A 29 10.474 -0.787 3.170 1.00 0.00 H new ATOM 0 HZ PHE A 29 10.689 -2.884 4.489 1.00 0.00 H new ATOM 476 N ASN A 30 6.160 -4.467 1.174 1.00 0.00 N ATOM 477 CA ASN A 30 6.115 -5.894 1.442 1.00 0.00 C ATOM 478 C ASN A 30 7.068 -6.254 2.570 1.00 0.00 C ATOM 479 O ASN A 30 8.281 -6.232 2.362 1.00 0.00 O ATOM 480 CB ASN A 30 6.484 -6.701 0.202 1.00 0.00 C ATOM 481 CG ASN A 30 6.178 -8.178 0.406 1.00 0.00 C ATOM 482 OD1 ASN A 30 5.779 -8.595 1.485 1.00 0.00 O ATOM 483 ND2 ASN A 30 6.407 -9.018 -0.583 1.00 0.00 N ATOM 0 H ASN A 30 6.927 -4.195 0.559 1.00 0.00 H new ATOM 0 HA ASN A 30 5.093 -6.139 1.732 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.931 -6.326 -0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.543 -6.572 -0.019 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.252 -10.017 -0.450 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.740 -8.669 -1.482 1.00 0.00 H new ATOM 490 N HIS A 31 6.568 -6.550 3.767 1.00 0.00 N ATOM 491 CA HIS A 31 7.417 -6.915 4.891 1.00 0.00 C ATOM 492 C HIS A 31 7.997 -8.327 4.743 1.00 0.00 C ATOM 493 O HIS A 31 8.937 -8.654 5.462 1.00 0.00 O ATOM 494 CB HIS A 31 6.674 -6.687 6.214 1.00 0.00 C ATOM 495 CG HIS A 31 5.552 -7.647 6.525 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.671 -8.866 7.154 1.00 0.00 N ATOM 497 CD2 HIS A 31 4.221 -7.430 6.301 1.00 0.00 C ATOM 498 CE1 HIS A 31 4.436 -9.372 7.298 1.00 0.00 C ATOM 499 NE2 HIS A 31 3.511 -8.524 6.811 1.00 0.00 N ATOM 0 H HIS A 31 5.571 -6.543 3.981 1.00 0.00 H new ATOM 0 HA HIS A 31 8.286 -6.258 4.899 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.399 -6.734 7.026 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.267 -5.676 6.208 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.792 -6.566 5.816 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.214 -10.330 7.744 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.499 -8.652 6.813 1.00 0.00 H new ATOM 507 N ILE A 32 7.496 -9.149 3.818 1.00 0.00 N ATOM 508 CA ILE A 32 7.988 -10.514 3.593 1.00 0.00 C ATOM 509 C ILE A 32 9.377 -10.472 2.967 1.00 0.00 C ATOM 510 O ILE A 32 10.248 -11.259 3.334 1.00 0.00 O ATOM 511 CB ILE A 32 7.020 -11.319 2.682 1.00 0.00 C ATOM 512 CG1 ILE A 32 5.728 -11.643 3.458 1.00 0.00 C ATOM 513 CG2 ILE A 32 7.663 -12.588 2.093 1.00 0.00 C ATOM 514 CD1 ILE A 32 4.621 -12.258 2.593 1.00 0.00 C ATOM 0 H ILE A 32 6.731 -8.885 3.198 1.00 0.00 H new ATOM 0 HA ILE A 32 8.041 -11.017 4.559 1.00 0.00 H new ATOM 0 HB ILE A 32 6.774 -10.693 1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.966 -12.331 4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.352 -10.728 3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.937 -13.106 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.529 -12.312 1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.978 -13.246 2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.745 -12.457 3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.353 -11.563 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.977 -13.191 2.156 1.00 0.00 H new ATOM 526 N THR A 33 9.598 -9.556 2.024 1.00 0.00 N ATOM 527 CA THR A 33 10.872 -9.451 1.325 1.00 0.00 C ATOM 528 C THR A 33 11.486 -8.061 1.455 1.00 0.00 C ATOM 529 O THR A 33 12.519 -7.800 0.838 1.00 0.00 O ATOM 530 CB THR A 33 10.675 -10.017 -0.095 1.00 0.00 C ATOM 531 OG1 THR A 33 11.875 -10.502 -0.663 1.00 0.00 O ATOM 532 CG2 THR A 33 10.008 -9.057 -1.071 1.00 0.00 C ATOM 0 H THR A 33 8.902 -8.872 1.727 1.00 0.00 H new ATOM 0 HA THR A 33 11.648 -10.062 1.786 1.00 0.00 H new ATOM 0 HB THR A 33 9.989 -10.850 0.060 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.694 -10.850 -1.561 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.910 -9.538 -2.044 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.020 -8.787 -0.698 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.616 -8.158 -1.170 1.00 0.00 H new ATOM 540 N ASN A 34 10.914 -7.200 2.309 1.00 0.00 N ATOM 541 CA ASN A 34 11.396 -5.840 2.552 1.00 0.00 C ATOM 542 C ASN A 34 11.417 -5.036 1.248 1.00 0.00 C ATOM 543 O ASN A 34 12.409 -4.388 0.909 1.00 0.00 O ATOM 544 CB ASN A 34 12.769 -5.930 3.239 1.00 0.00 C ATOM 545 CG ASN A 34 13.159 -4.648 3.938 1.00 0.00 C ATOM 546 OD1 ASN A 34 13.835 -3.783 3.387 1.00 0.00 O ATOM 547 ND2 ASN A 34 12.772 -4.530 5.189 1.00 0.00 N ATOM 0 H ASN A 34 10.088 -7.438 2.859 1.00 0.00 H new ATOM 0 HA ASN A 34 10.723 -5.300 3.218 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.755 -6.744 3.964 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.527 -6.178 2.496 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.033 -3.704 5.728 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.211 -5.264 5.621 1.00 0.00 H new ATOM 554 N ALA A 35 10.341 -5.160 0.472 1.00 0.00 N ATOM 555 CA ALA A 35 10.153 -4.495 -0.811 1.00 0.00 C ATOM 556 C ALA A 35 9.068 -3.425 -0.703 1.00 0.00 C ATOM 557 O ALA A 35 8.481 -3.241 0.362 1.00 0.00 O ATOM 558 CB ALA A 35 9.830 -5.554 -1.869 1.00 0.00 C ATOM 0 H ALA A 35 9.549 -5.748 0.731 1.00 0.00 H new ATOM 0 HA ALA A 35 11.065 -3.980 -1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.686 -5.071 -2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.654 -6.264 -1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.919 -6.082 -1.589 1.00 0.00 H new ATOM 564 N SER A 36 8.780 -2.716 -1.791 1.00 0.00 N ATOM 565 CA SER A 36 7.775 -1.672 -1.842 1.00 0.00 C ATOM 566 C SER A 36 7.468 -1.339 -3.302 1.00 0.00 C ATOM 567 O SER A 36 8.329 -1.512 -4.171 1.00 0.00 O ATOM 568 CB SER A 36 8.260 -0.475 -0.995 1.00 0.00 C ATOM 569 OG SER A 36 8.354 0.767 -1.661 1.00 0.00 O ATOM 0 H SER A 36 9.255 -2.860 -2.682 1.00 0.00 H new ATOM 0 HA SER A 36 6.829 -1.992 -1.406 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.583 -0.359 -0.148 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.241 -0.720 -0.588 1.00 0.00 H new ATOM 0 HG SER A 36 7.646 1.364 -1.341 1.00 0.00 H new ATOM 575 N GLN A 37 6.233 -0.923 -3.588 1.00 0.00 N ATOM 576 CA GLN A 37 5.782 -0.546 -4.918 1.00 0.00 C ATOM 577 C GLN A 37 4.603 0.416 -4.785 1.00 0.00 C ATOM 578 O GLN A 37 3.989 0.513 -3.725 1.00 0.00 O ATOM 579 CB GLN A 37 5.335 -1.785 -5.720 1.00 0.00 C ATOM 580 CG GLN A 37 6.467 -2.489 -6.481 1.00 0.00 C ATOM 581 CD GLN A 37 5.926 -3.371 -7.607 1.00 0.00 C ATOM 582 OE1 GLN A 37 5.290 -2.875 -8.537 1.00 0.00 O ATOM 583 NE2 GLN A 37 6.174 -4.669 -7.572 1.00 0.00 N ATOM 0 H GLN A 37 5.504 -0.839 -2.879 1.00 0.00 H new ATOM 0 HA GLN A 37 6.608 -0.070 -5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.874 -2.498 -5.037 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.567 -1.484 -6.432 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.145 -1.744 -6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.048 -3.098 -5.788 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.702 -5.067 -6.795 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.837 -5.273 -8.322 1.00 0.00 H new ATOM 592 N TRP A 38 4.278 1.123 -5.863 1.00 0.00 N ATOM 593 CA TRP A 38 3.156 2.056 -5.912 1.00 0.00 C ATOM 594 C TRP A 38 1.945 1.322 -6.477 1.00 0.00 C ATOM 595 O TRP A 38 0.812 1.584 -6.087 1.00 0.00 O ATOM 596 CB TRP A 38 3.498 3.250 -6.808 1.00 0.00 C ATOM 597 CG TRP A 38 4.765 3.953 -6.447 1.00 0.00 C ATOM 598 CD1 TRP A 38 5.976 3.682 -6.974 1.00 0.00 C ATOM 599 CD2 TRP A 38 4.989 4.964 -5.422 1.00 0.00 C ATOM 600 NE1 TRP A 38 6.925 4.480 -6.369 1.00 0.00 N ATOM 601 CE2 TRP A 38 6.373 5.299 -5.411 1.00 0.00 C ATOM 602 CE3 TRP A 38 4.168 5.620 -4.486 1.00 0.00 C ATOM 603 CZ2 TRP A 38 6.910 6.247 -4.527 1.00 0.00 C ATOM 604 CZ3 TRP A 38 4.701 6.549 -3.575 1.00 0.00 C ATOM 605 CH2 TRP A 38 6.068 6.870 -3.594 1.00 0.00 C ATOM 0 H TRP A 38 4.794 1.063 -6.741 1.00 0.00 H new ATOM 0 HA TRP A 38 2.941 2.426 -4.910 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.570 2.905 -7.839 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.676 3.965 -6.768 1.00 0.00 H new ATOM 0 HD1 TRP A 38 6.172 2.955 -7.748 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.917 4.465 -6.604 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.110 5.406 -4.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.961 6.494 -4.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.052 7.021 -2.852 1.00 0.00 H new ATOM 0 HH2 TRP A 38 6.468 7.591 -2.896 1.00 0.00 H new ATOM 616 N GLU A 39 2.172 0.416 -7.426 1.00 0.00 N ATOM 617 CA GLU A 39 1.121 -0.365 -8.062 1.00 0.00 C ATOM 618 C GLU A 39 0.653 -1.465 -7.111 1.00 0.00 C ATOM 619 O GLU A 39 1.435 -1.963 -6.298 1.00 0.00 O ATOM 620 CB GLU A 39 1.668 -0.963 -9.359 1.00 0.00 C ATOM 621 CG GLU A 39 1.989 0.150 -10.366 1.00 0.00 C ATOM 622 CD GLU A 39 2.743 -0.377 -11.576 1.00 0.00 C ATOM 623 OE1 GLU A 39 3.910 -0.807 -11.403 1.00 0.00 O ATOM 624 OE2 GLU A 39 2.197 -0.292 -12.704 1.00 0.00 O ATOM 0 H GLU A 39 3.106 0.203 -7.778 1.00 0.00 H new ATOM 0 HA GLU A 39 0.266 0.270 -8.296 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.567 -1.543 -9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.938 -1.650 -9.787 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.062 0.621 -10.693 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.583 0.922 -9.876 1.00 0.00 H new ATOM 631 N ARG A 40 -0.619 -1.850 -7.229 1.00 0.00 N ATOM 632 CA ARG A 40 -1.258 -2.876 -6.418 1.00 0.00 C ATOM 633 C ARG A 40 -0.509 -4.208 -6.539 1.00 0.00 C ATOM 634 O ARG A 40 -0.499 -4.784 -7.629 1.00 0.00 O ATOM 635 CB ARG A 40 -2.720 -3.045 -6.855 1.00 0.00 C ATOM 636 CG ARG A 40 -3.628 -2.034 -6.141 1.00 0.00 C ATOM 637 CD ARG A 40 -5.025 -1.955 -6.770 1.00 0.00 C ATOM 638 NE ARG A 40 -5.645 -3.279 -6.967 1.00 0.00 N ATOM 639 CZ ARG A 40 -6.729 -3.519 -7.714 1.00 0.00 C ATOM 640 NH1 ARG A 40 -7.475 -2.529 -8.176 1.00 0.00 N ATOM 641 NH2 ARG A 40 -7.085 -4.764 -7.999 1.00 0.00 N ATOM 0 H ARG A 40 -1.250 -1.439 -7.917 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.230 -2.565 -5.374 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.799 -2.911 -7.934 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.054 -4.059 -6.634 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.721 -2.312 -5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.163 -1.049 -6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.670 -1.349 -6.134 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.956 -1.446 -7.731 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.213 -4.074 -6.497 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.228 -1.562 -7.964 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.298 -2.732 -8.744 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.531 -5.546 -7.648 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.912 -4.940 -8.569 1.00 0.00 H new ATOM 655 N PRO A 41 0.086 -4.724 -5.456 1.00 0.00 N ATOM 656 CA PRO A 41 0.807 -5.989 -5.459 1.00 0.00 C ATOM 657 C PRO A 41 -0.145 -7.193 -5.435 1.00 0.00 C ATOM 658 O PRO A 41 -1.372 -7.043 -5.455 1.00 0.00 O ATOM 659 CB PRO A 41 1.638 -5.959 -4.177 1.00 0.00 C ATOM 660 CG PRO A 41 0.794 -5.117 -3.229 1.00 0.00 C ATOM 661 CD PRO A 41 0.130 -4.107 -4.143 1.00 0.00 C ATOM 0 HA PRO A 41 1.409 -6.099 -6.361 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.805 -6.961 -3.783 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.619 -5.514 -4.344 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.059 -5.724 -2.701 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.408 -4.629 -2.472 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.873 -3.864 -3.792 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.694 -3.174 -4.169 1.00 0.00 H new ATOM 669 N SER A 42 0.436 -8.393 -5.372 1.00 0.00 N ATOM 670 CA SER A 42 -0.219 -9.683 -5.312 1.00 0.00 C ATOM 671 C SER A 42 0.663 -10.625 -4.488 1.00 0.00 C ATOM 672 O SER A 42 1.819 -10.884 -4.846 1.00 0.00 O ATOM 673 CB SER A 42 -0.462 -10.226 -6.717 1.00 0.00 C ATOM 674 OG SER A 42 -1.323 -11.323 -6.587 1.00 0.00 O ATOM 0 H SER A 42 1.452 -8.485 -5.361 1.00 0.00 H new ATOM 0 HA SER A 42 -1.195 -9.593 -4.836 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.905 -9.461 -7.355 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.477 -10.525 -7.183 1.00 0.00 H new ATOM 0 HG SER A 42 -1.506 -11.702 -7.472 1.00 0.00 H new