USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=7 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= -3.03! C(o=-3.6!,f=-3.5!) USER MOD Set 1.2: A 41 MET CE :methyl -111:sc= -0.562 (180deg=-3.05!) USER MOD Single : A 12 MET CE :methyl 171:sc= -0.777 (180deg=-0.914) USER MOD Single : A 13 ASN : amide:sc= -4.56! C(o=-4.6!,f=-11!) USER MOD Single : A 16 MET CE :methyl -121:sc= 0 (180deg=-0.0166) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= -0.0498 (180deg=-0.326) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0374 K(o=-0.037,f=-1.2) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 34 HIS : no HD1:sc= -4.7! C(o=-4.7!,f=-3.3!) USER MOD Single : A 35 ASN : amide:sc=-0.00515 K(o=-0.0052,f=-1.4) 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+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N MET A 12 -2.004 4.987 -5.506 1.00 0.00 N ATOM 148 CA MET A 12 -2.723 4.156 -4.548 1.00 0.00 C ATOM 149 C MET A 12 -3.323 5.007 -3.433 1.00 0.00 C ATOM 150 O MET A 12 -2.817 6.084 -3.121 1.00 0.00 O ATOM 151 CB MET A 12 -1.788 3.101 -3.953 1.00 0.00 C ATOM 152 CG MET A 12 -0.679 2.670 -4.898 1.00 0.00 C ATOM 153 SD MET A 12 0.080 1.108 -4.413 1.00 0.00 S ATOM 154 CE MET A 12 0.868 1.578 -2.874 1.00 0.00 C ATOM 0 HA MET A 12 -3.535 3.656 -5.076 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.343 3.495 -3.040 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.374 2.226 -3.670 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.082 2.576 -5.906 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.086 3.446 -4.932 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.244 0.687 -2.371 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.697 2.255 -3.082 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.143 2.079 -2.232 1.00 0.00 H new ATOM 164 N ASN A 13 -4.405 4.516 -2.837 1.00 0.00 N ATOM 165 CA ASN A 13 -5.074 5.232 -1.757 1.00 0.00 C ATOM 166 C ASN A 13 -4.622 4.711 -0.396 1.00 0.00 C ATOM 167 O ASN A 13 -3.725 3.874 -0.308 1.00 0.00 O ATOM 168 CB ASN A 13 -6.592 5.094 -1.890 1.00 0.00 C ATOM 169 CG ASN A 13 -7.098 3.759 -1.379 1.00 0.00 C ATOM 170 OD1 ASN A 13 -7.704 3.680 -0.310 1.00 0.00 O ATOM 171 ND2 ASN A 13 -6.851 2.701 -2.142 1.00 0.00 N ATOM 0 H ASN A 13 -4.837 3.626 -3.084 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.803 6.285 -1.831 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.077 5.899 -1.338 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.874 5.210 -2.936 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.167 1.776 -1.850 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.345 2.813 -3.021 1.00 0.00 H new ATOM 178 N ALA A 14 -5.250 5.213 0.662 1.00 0.00 N ATOM 179 CA ALA A 14 -4.915 4.796 2.018 1.00 0.00 C ATOM 180 C ALA A 14 -5.068 3.288 2.183 1.00 0.00 C ATOM 181 O ALA A 14 -4.205 2.626 2.760 1.00 0.00 O ATOM 182 CB ALA A 14 -5.787 5.530 3.026 1.00 0.00 C ATOM 0 H ALA A 14 -5.994 5.909 0.606 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.871 5.051 2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.526 5.209 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.625 6.604 2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.836 5.304 2.833 1.00 0.00 H new ATOM 188 N PHE A 15 -6.171 2.750 1.673 1.00 0.00 N ATOM 189 CA PHE A 15 -6.437 1.320 1.765 1.00 0.00 C ATOM 190 C PHE A 15 -5.390 0.521 0.995 1.00 0.00 C ATOM 191 O PHE A 15 -4.792 -0.414 1.527 1.00 0.00 O ATOM 192 CB PHE A 15 -7.834 1.004 1.227 1.00 0.00 C ATOM 193 CG PHE A 15 -8.028 -0.443 0.875 1.00 0.00 C ATOM 194 CD1 PHE A 15 -8.471 -1.349 1.825 1.00 0.00 C ATOM 195 CD2 PHE A 15 -7.766 -0.899 -0.408 1.00 0.00 C ATOM 196 CE1 PHE A 15 -8.650 -2.681 1.504 1.00 0.00 C ATOM 197 CE2 PHE A 15 -7.944 -2.230 -0.735 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.385 -3.122 0.223 1.00 0.00 C ATOM 0 H PHE A 15 -6.895 3.283 1.192 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.386 1.033 2.815 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.575 1.291 1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.020 1.613 0.342 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.679 -1.010 2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.419 -0.206 -1.160 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.997 -3.376 2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.738 -2.572 -1.739 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.522 -4.163 -0.030 1.00 0.00 H new ATOM 208 N MET A 16 -5.176 0.895 -0.262 1.00 0.00 N ATOM 209 CA MET A 16 -4.201 0.214 -1.106 1.00 0.00 C ATOM 210 C MET A 16 -2.824 0.206 -0.449 1.00 0.00 C ATOM 211 O MET A 16 -2.244 -0.854 -0.214 1.00 0.00 O ATOM 212 CB MET A 16 -4.121 0.890 -2.477 1.00 0.00 C ATOM 213 CG MET A 16 -5.296 0.565 -3.384 1.00 0.00 C ATOM 214 SD MET A 16 -5.013 -0.907 -4.387 1.00 0.00 S ATOM 215 CE MET A 16 -3.950 -0.245 -5.667 1.00 0.00 C ATOM 0 H MET A 16 -5.664 1.665 -0.719 1.00 0.00 H new ATOM 0 HA MET A 16 -4.528 -0.818 -1.236 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.068 1.970 -2.338 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.197 0.586 -2.970 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.189 0.420 -2.777 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.490 1.414 -4.039 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.418 -0.392 -6.641 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.795 0.820 -5.496 1.00 0.00 H new ATOM 0 HE3 MET A 16 -2.989 -0.759 -5.644 1.00 0.00 H new ATOM 225 N VAL A 17 -2.307 1.394 -0.155 1.00 0.00 N ATOM 226 CA VAL A 17 -0.998 1.523 0.476 1.00 0.00 C ATOM 227 C VAL A 17 -0.840 0.530 1.621 1.00 0.00 C ATOM 228 O VAL A 17 -0.068 -0.424 1.527 1.00 0.00 O ATOM 229 CB VAL A 17 -0.772 2.949 1.012 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.601 3.066 1.656 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.936 3.970 -0.104 1.00 0.00 C ATOM 0 H VAL A 17 -2.774 2.281 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.254 1.309 -0.291 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.523 3.155 1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.743 4.080 2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.676 2.361 2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.370 2.840 0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.773 4.972 0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.209 3.769 -0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.944 3.902 -0.514 1.00 0.00 H new ATOM 241 N TRP A 18 -1.577 0.760 2.702 1.00 0.00 N ATOM 242 CA TRP A 18 -1.519 -0.115 3.867 1.00 0.00 C ATOM 243 C TRP A 18 -1.562 -1.581 3.449 1.00 0.00 C ATOM 244 O TRP A 18 -0.962 -2.438 4.097 1.00 0.00 O ATOM 245 CB TRP A 18 -2.676 0.191 4.819 1.00 0.00 C ATOM 246 CG TRP A 18 -3.052 -0.969 5.690 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.623 -1.211 6.963 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.932 -2.046 5.350 1.00 0.00 C ATOM 249 NE1 TRP A 18 -3.183 -2.374 7.436 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.991 -2.905 6.465 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.678 -2.368 4.212 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.764 -4.062 6.473 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.445 -3.517 4.222 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.484 -4.353 5.346 1.00 0.00 C ATOM 0 H TRP A 18 -2.222 1.545 2.796 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.576 0.069 4.382 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.403 1.037 5.450 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.546 0.495 4.236 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.943 -0.581 7.517 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.023 -2.776 8.360 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.655 -1.730 3.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.795 -4.708 7.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.025 -3.775 3.348 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.094 -5.244 5.322 1.00 0.00 H new ATOM 265 N ALA A 19 -2.276 -1.861 2.364 1.00 0.00 N ATOM 266 CA ALA A 19 -2.395 -3.223 1.859 1.00 0.00 C ATOM 267 C ALA A 19 -1.109 -3.668 1.171 1.00 0.00 C ATOM 268 O ALA A 19 -0.714 -4.831 1.262 1.00 0.00 O ATOM 269 CB ALA A 19 -3.572 -3.330 0.901 1.00 0.00 C ATOM 0 H ALA A 19 -2.781 -1.163 1.818 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.570 -3.884 2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.649 -4.353 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.491 -3.063 1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.421 -2.652 0.061 1.00 0.00 H new ATOM 275 N LYS A 20 -0.459 -2.737 0.482 1.00 0.00 N ATOM 276 CA LYS A 20 0.784 -3.032 -0.222 1.00 0.00 C ATOM 277 C LYS A 20 1.632 -4.025 0.566 1.00 0.00 C ATOM 278 O LYS A 20 2.321 -4.864 -0.014 1.00 0.00 O ATOM 279 CB LYS A 20 1.577 -1.745 -0.461 1.00 0.00 C ATOM 280 CG LYS A 20 2.441 -1.335 0.718 1.00 0.00 C ATOM 281 CD LYS A 20 2.694 0.164 0.730 1.00 0.00 C ATOM 282 CE LYS A 20 3.744 0.559 -0.296 1.00 0.00 C ATOM 283 NZ LYS A 20 5.093 0.039 0.061 1.00 0.00 N ATOM 0 H LYS A 20 -0.772 -1.770 0.396 1.00 0.00 H new ATOM 0 HA LYS A 20 0.531 -3.479 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.212 -1.877 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.882 -0.937 -0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.954 -1.630 1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.392 -1.865 0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.764 0.693 0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.021 0.471 1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.456 0.178 -1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.783 1.645 -0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.819 0.575 -0.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.246 0.145 1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.157 -0.967 -0.196 1.00 0.00 H new ATOM 297 N ASP A 21 1.576 -3.925 1.889 1.00 0.00 N ATOM 298 CA ASP A 21 2.338 -4.816 2.757 1.00 0.00 C ATOM 299 C ASP A 21 1.501 -6.025 3.163 1.00 0.00 C ATOM 300 O ASP A 21 1.996 -7.150 3.199 1.00 0.00 O ATOM 301 CB ASP A 21 2.813 -4.067 4.003 1.00 0.00 C ATOM 302 CG ASP A 21 3.829 -4.859 4.802 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.561 -5.667 4.194 1.00 0.00 O ATOM 304 OD2 ASP A 21 3.892 -4.670 6.035 1.00 0.00 O ATOM 0 H ASP A 21 1.011 -3.236 2.385 1.00 0.00 H new ATOM 0 HA ASP A 21 3.207 -5.168 2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.252 -3.114 3.706 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.955 -3.839 4.636 1.00 0.00 H new ATOM 309 N GLU A 22 0.230 -5.782 3.470 1.00 0.00 N ATOM 310 CA GLU A 22 -0.675 -6.851 3.876 1.00 0.00 C ATOM 311 C GLU A 22 -0.881 -7.849 2.741 1.00 0.00 C ATOM 312 O GLU A 22 -0.613 -9.041 2.891 1.00 0.00 O ATOM 313 CB GLU A 22 -2.022 -6.271 4.312 1.00 0.00 C ATOM 314 CG GLU A 22 -1.914 -5.273 5.453 1.00 0.00 C ATOM 315 CD GLU A 22 -0.741 -5.560 6.370 1.00 0.00 C ATOM 316 OE1 GLU A 22 0.409 -5.297 5.961 1.00 0.00 O ATOM 317 OE2 GLU A 22 -0.973 -6.046 7.497 1.00 0.00 O ATOM 0 H GLU A 22 -0.195 -4.855 3.445 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.224 -7.374 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.492 -5.784 3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.678 -7.087 4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.813 -4.268 5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.837 -5.289 6.033 1.00 0.00 H new ATOM 324 N ARG A 23 -1.361 -7.353 1.605 1.00 0.00 N ATOM 325 CA ARG A 23 -1.607 -8.201 0.444 1.00 0.00 C ATOM 326 C ARG A 23 -0.519 -9.263 0.307 1.00 0.00 C ATOM 327 O ARG A 23 -0.810 -10.452 0.178 1.00 0.00 O ATOM 328 CB ARG A 23 -1.671 -7.354 -0.828 1.00 0.00 C ATOM 329 CG ARG A 23 -2.281 -8.083 -2.014 1.00 0.00 C ATOM 330 CD ARG A 23 -2.253 -7.224 -3.269 1.00 0.00 C ATOM 331 NE ARG A 23 -3.463 -6.419 -3.409 1.00 0.00 N ATOM 332 CZ ARG A 23 -3.534 -5.321 -4.153 1.00 0.00 C ATOM 333 NH1 ARG A 23 -2.470 -4.901 -4.823 1.00 0.00 N ATOM 334 NH2 ARG A 23 -4.671 -4.643 -4.230 1.00 0.00 N ATOM 0 H ARG A 23 -1.587 -6.369 1.464 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.564 -8.702 0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.253 -6.454 -0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.664 -7.030 -1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.735 -9.009 -2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.310 -8.359 -1.783 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.383 -6.568 -3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.140 -7.864 -4.144 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.300 -6.716 -2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.594 -5.421 -4.768 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.527 -4.058 -5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.492 -4.965 -3.718 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.724 -3.800 -4.802 1.00 0.00 H new ATOM 348 N LYS A 24 0.735 -8.824 0.335 1.00 0.00 N ATOM 349 CA LYS A 24 1.867 -9.735 0.215 1.00 0.00 C ATOM 350 C LYS A 24 1.667 -10.971 1.087 1.00 0.00 C ATOM 351 O LYS A 24 1.910 -12.096 0.651 1.00 0.00 O ATOM 352 CB LYS A 24 3.164 -9.025 0.609 1.00 0.00 C ATOM 353 CG LYS A 24 3.496 -7.833 -0.272 1.00 0.00 C ATOM 354 CD LYS A 24 4.995 -7.599 -0.353 1.00 0.00 C ATOM 355 CE LYS A 24 5.648 -8.519 -1.374 1.00 0.00 C ATOM 356 NZ LYS A 24 6.894 -7.928 -1.935 1.00 0.00 N ATOM 0 H LYS A 24 0.993 -7.843 0.440 1.00 0.00 H new ATOM 0 HA LYS A 24 1.935 -10.053 -0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.086 -8.691 1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.987 -9.739 0.566 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.098 -7.998 -1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.009 -6.941 0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.188 -6.560 -0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.444 -7.764 0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.879 -9.476 -0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.946 -8.721 -2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.309 -8.585 -2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.670 -7.027 -2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.574 -7.759 -1.167 1.00 0.00 H new ATOM 370 N ARG A 25 1.220 -10.753 2.320 1.00 0.00 N ATOM 371 CA ARG A 25 0.987 -11.849 3.252 1.00 0.00 C ATOM 372 C ARG A 25 -0.126 -12.764 2.749 1.00 0.00 C ATOM 373 O ARG A 25 -0.118 -13.968 3.007 1.00 0.00 O ATOM 374 CB ARG A 25 0.626 -11.302 4.635 1.00 0.00 C ATOM 375 CG ARG A 25 -0.868 -11.111 4.843 1.00 0.00 C ATOM 376 CD ARG A 25 -1.153 -9.991 5.831 1.00 0.00 C ATOM 377 NE ARG A 25 -2.393 -10.215 6.569 1.00 0.00 N ATOM 378 CZ ARG A 25 -2.501 -11.065 7.584 1.00 0.00 C ATOM 379 NH1 ARG A 25 -1.448 -11.767 7.979 1.00 0.00 N ATOM 380 NH2 ARG A 25 -3.663 -11.214 8.206 1.00 0.00 N ATOM 0 H ARG A 25 1.012 -9.828 2.696 1.00 0.00 H new ATOM 0 HA ARG A 25 1.906 -12.431 3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.006 -11.983 5.396 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.130 -10.347 4.782 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.344 -10.886 3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.308 -12.040 5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.323 -9.907 6.533 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.215 -9.043 5.296 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.222 -9.690 6.290 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.553 -11.655 7.503 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.533 -12.419 8.759 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.475 -10.675 7.905 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.744 -11.867 8.985 1.00 0.00 H new ATOM 394 N LEU A 26 -1.081 -12.184 2.030 1.00 0.00 N ATOM 395 CA LEU A 26 -2.201 -12.947 1.490 1.00 0.00 C ATOM 396 C LEU A 26 -1.744 -13.856 0.354 1.00 0.00 C ATOM 397 O LEU A 26 -2.116 -15.028 0.296 1.00 0.00 O ATOM 398 CB LEU A 26 -3.295 -12.001 0.992 1.00 0.00 C ATOM 399 CG LEU A 26 -3.765 -10.936 1.985 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.984 -10.205 1.446 1.00 0.00 C ATOM 401 CD2 LEU A 26 -4.072 -11.565 3.336 1.00 0.00 C ATOM 0 H LEU A 26 -1.102 -11.189 1.808 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.603 -13.570 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.932 -11.498 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.157 -12.599 0.696 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.962 -10.211 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.304 -9.451 2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.731 -9.721 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.793 -10.917 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.405 -10.793 4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.858 -12.311 3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.174 -12.042 3.728 1.00 0.00 H new ATOM 413 N ALA A 27 -0.933 -13.309 -0.545 1.00 0.00 N ATOM 414 CA ALA A 27 -0.421 -14.072 -1.677 1.00 0.00 C ATOM 415 C ALA A 27 0.307 -15.327 -1.208 1.00 0.00 C ATOM 416 O ALA A 27 0.034 -16.428 -1.685 1.00 0.00 O ATOM 417 CB ALA A 27 0.503 -13.208 -2.522 1.00 0.00 C ATOM 0 H ALA A 27 -0.616 -12.340 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.269 -14.382 -2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.878 -13.791 -3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.047 -12.344 -2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.341 -12.869 -1.914 1.00 0.00 H new ATOM 423 N GLN A 28 1.235 -15.153 -0.272 1.00 0.00 N ATOM 424 CA GLN A 28 2.003 -16.272 0.259 1.00 0.00 C ATOM 425 C GLN A 28 1.101 -17.243 1.013 1.00 0.00 C ATOM 426 O GLN A 28 1.323 -18.453 0.993 1.00 0.00 O ATOM 427 CB GLN A 28 3.111 -15.765 1.183 1.00 0.00 C ATOM 428 CG GLN A 28 2.597 -14.953 2.361 1.00 0.00 C ATOM 429 CD GLN A 28 3.527 -15.005 3.556 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.660 -15.477 3.456 1.00 0.00 O ATOM 431 NE2 GLN A 28 3.053 -14.518 4.697 1.00 0.00 N ATOM 0 H GLN A 28 1.473 -14.248 0.134 1.00 0.00 H new ATOM 0 HA GLN A 28 2.454 -16.801 -0.581 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.677 -16.617 1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.803 -15.153 0.605 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.466 -13.916 2.053 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.615 -15.325 2.653 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.108 -14.136 4.735 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.634 -14.526 5.535 1.00 0.00 H new ATOM 440 N GLN A 29 0.083 -16.704 1.676 1.00 0.00 N ATOM 441 CA GLN A 29 -0.852 -17.523 2.438 1.00 0.00 C ATOM 442 C GLN A 29 -1.811 -18.261 1.509 1.00 0.00 C ATOM 443 O GLN A 29 -2.265 -19.362 1.817 1.00 0.00 O ATOM 444 CB GLN A 29 -1.642 -16.655 3.419 1.00 0.00 C ATOM 445 CG GLN A 29 -0.984 -16.528 4.784 1.00 0.00 C ATOM 446 CD GLN A 29 -1.769 -15.641 5.730 1.00 0.00 C ATOM 447 OE1 GLN A 29 -1.305 -14.571 6.125 1.00 0.00 O ATOM 448 NE2 GLN A 29 -2.966 -16.082 6.099 1.00 0.00 N ATOM 0 H GLN A 29 -0.115 -15.704 1.701 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.277 -18.260 2.998 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.768 -15.660 2.991 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.639 -17.077 3.543 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.878 -17.519 5.225 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.021 -16.124 4.662 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.311 -16.975 5.747 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.540 -15.528 6.734 1.00 0.00 H new ATOM 457 N ASN A 30 -2.114 -17.646 0.370 1.00 0.00 N ATOM 458 CA ASN A 30 -3.019 -18.245 -0.604 1.00 0.00 C ATOM 459 C ASN A 30 -2.445 -18.145 -2.014 1.00 0.00 C ATOM 460 O ASN A 30 -2.774 -17.240 -2.782 1.00 0.00 O ATOM 461 CB ASN A 30 -4.387 -17.561 -0.548 1.00 0.00 C ATOM 462 CG ASN A 30 -5.034 -17.673 0.819 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.341 -18.770 1.284 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.245 -16.534 1.469 1.00 0.00 N ATOM 0 H ASN A 30 -1.746 -16.734 0.099 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.137 -19.299 -0.353 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.275 -16.509 -0.809 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.044 -18.006 -1.295 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.678 -16.546 2.393 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.974 -15.647 1.045 1.00 0.00 H new ATOM 471 N PRO A 31 -1.567 -19.096 -2.365 1.00 0.00 N ATOM 472 CA PRO A 31 -0.930 -19.138 -3.684 1.00 0.00 C ATOM 473 C PRO A 31 -1.913 -19.500 -4.792 1.00 0.00 C ATOM 474 O PRO A 31 -1.570 -19.469 -5.974 1.00 0.00 O ATOM 475 CB PRO A 31 0.130 -20.232 -3.531 1.00 0.00 C ATOM 476 CG PRO A 31 -0.385 -21.109 -2.443 1.00 0.00 C ATOM 477 CD PRO A 31 -1.130 -20.205 -1.500 1.00 0.00 C ATOM 0 HA PRO A 31 -0.524 -18.168 -3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.261 -20.788 -4.459 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.101 -19.809 -3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.041 -21.882 -2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.432 -21.618 -1.932 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.977 -20.714 -1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.491 -19.855 -0.690 1.00 0.00 H new ATOM 485 N ASP A 32 -3.136 -19.842 -4.402 1.00 0.00 N ATOM 486 CA ASP A 32 -4.170 -20.209 -5.363 1.00 0.00 C ATOM 487 C ASP A 32 -5.218 -19.107 -5.480 1.00 0.00 C ATOM 488 O ASP A 32 -5.979 -19.059 -6.447 1.00 0.00 O ATOM 489 CB ASP A 32 -4.837 -21.522 -4.951 1.00 0.00 C ATOM 490 CG ASP A 32 -4.148 -22.733 -5.549 1.00 0.00 C ATOM 491 OD1 ASP A 32 -3.083 -23.126 -5.028 1.00 0.00 O ATOM 492 OD2 ASP A 32 -4.673 -23.288 -6.537 1.00 0.00 O ATOM 0 H ASP A 32 -3.436 -19.873 -3.428 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.697 -20.341 -6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.831 -21.604 -3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.881 -21.510 -5.264 1.00 0.00 H new ATOM 497 N LEU A 33 -5.254 -18.223 -4.488 1.00 0.00 N ATOM 498 CA LEU A 33 -6.209 -17.121 -4.479 1.00 0.00 C ATOM 499 C LEU A 33 -5.672 -15.927 -5.261 1.00 0.00 C ATOM 500 O LEU A 33 -4.460 -15.763 -5.408 1.00 0.00 O ATOM 501 CB LEU A 33 -6.523 -16.705 -3.041 1.00 0.00 C ATOM 502 CG LEU A 33 -7.363 -17.688 -2.225 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.728 -17.087 -0.876 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.616 -18.083 -2.992 1.00 0.00 C ATOM 0 H LEU A 33 -4.632 -18.249 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.125 -17.463 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.581 -16.542 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.044 -15.748 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.770 -18.586 -2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.326 -17.801 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.818 -16.856 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.302 -16.173 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.202 -18.783 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.212 -17.194 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.333 -18.555 -3.933 1.00 0.00 H new ATOM 516 N HIS A 34 -6.580 -15.095 -5.759 1.00 0.00 N ATOM 517 CA HIS A 34 -6.197 -13.913 -6.524 1.00 0.00 C ATOM 518 C HIS A 34 -6.660 -12.639 -5.824 1.00 0.00 C ATOM 519 O HIS A 34 -7.406 -12.693 -4.847 1.00 0.00 O ATOM 520 CB HIS A 34 -6.787 -13.978 -7.933 1.00 0.00 C ATOM 521 CG HIS A 34 -8.267 -14.210 -7.952 1.00 0.00 C ATOM 522 ND1 HIS A 34 -9.181 -13.216 -8.229 1.00 0.00 N ATOM 523 CD2 HIS A 34 -8.990 -15.333 -7.729 1.00 0.00 C ATOM 524 CE1 HIS A 34 -10.403 -13.716 -8.174 1.00 0.00 C ATOM 525 NE2 HIS A 34 -10.314 -14.999 -7.872 1.00 0.00 N ATOM 0 H HIS A 34 -7.586 -15.217 -5.647 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.109 -13.893 -6.594 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.567 -13.046 -8.454 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.295 -14.777 -8.488 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.598 -16.309 -7.484 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.318 -13.169 -8.346 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.101 -15.638 -7.763 1.00 0.00 H new ATOM 534 N ASN A 35 -6.211 -11.495 -6.330 1.00 0.00 N ATOM 535 CA ASN A 35 -6.579 -10.207 -5.752 1.00 0.00 C ATOM 536 C ASN A 35 -8.000 -10.245 -5.199 1.00 0.00 C ATOM 537 O ASN A 35 -8.206 -10.219 -3.986 1.00 0.00 O ATOM 538 CB ASN A 35 -6.457 -9.101 -6.801 1.00 0.00 C ATOM 539 CG ASN A 35 -6.234 -7.736 -6.179 1.00 0.00 C ATOM 540 OD1 ASN A 35 -6.646 -7.482 -5.047 1.00 0.00 O ATOM 541 ND2 ASN A 35 -5.577 -6.849 -6.918 1.00 0.00 N ATOM 0 H ASN A 35 -5.592 -11.433 -7.139 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.894 -9.996 -4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.630 -9.331 -7.473 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.363 -9.077 -7.407 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.396 -5.914 -6.552 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.253 -7.103 -7.852 1.00 0.00 H new ATOM 548 N ALA A 36 -8.978 -10.308 -6.097 1.00 0.00 N ATOM 549 CA ALA A 36 -10.379 -10.352 -5.699 1.00 0.00 C ATOM 550 C ALA A 36 -10.558 -11.135 -4.403 1.00 0.00 C ATOM 551 O ALA A 36 -11.349 -10.755 -3.542 1.00 0.00 O ATOM 552 CB ALA A 36 -11.223 -10.963 -6.808 1.00 0.00 C ATOM 0 H ALA A 36 -8.825 -10.330 -7.105 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.713 -9.330 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.268 -10.990 -6.498 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.128 -10.360 -7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.879 -11.977 -7.011 1.00 0.00 H new ATOM 558 N GLU A 37 -9.817 -12.232 -4.273 1.00 0.00 N ATOM 559 CA GLU A 37 -9.896 -13.069 -3.082 1.00 0.00 C ATOM 560 C GLU A 37 -9.121 -12.444 -1.925 1.00 0.00 C ATOM 561 O GLU A 37 -9.578 -12.450 -0.781 1.00 0.00 O ATOM 562 CB GLU A 37 -9.352 -14.468 -3.378 1.00 0.00 C ATOM 563 CG GLU A 37 -10.243 -15.286 -4.298 1.00 0.00 C ATOM 564 CD GLU A 37 -11.262 -16.114 -3.539 1.00 0.00 C ATOM 565 OE1 GLU A 37 -11.763 -15.632 -2.502 1.00 0.00 O ATOM 566 OE2 GLU A 37 -11.558 -17.243 -3.982 1.00 0.00 O ATOM 0 H GLU A 37 -9.156 -12.561 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.944 -13.148 -2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.364 -14.376 -3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.224 -15.005 -2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.763 -14.617 -4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.623 -15.946 -4.905 1.00 0.00 H new ATOM 573 N LEU A 38 -7.946 -11.906 -2.231 1.00 0.00 N ATOM 574 CA LEU A 38 -7.105 -11.277 -1.218 1.00 0.00 C ATOM 575 C LEU A 38 -7.818 -10.088 -0.581 1.00 0.00 C ATOM 576 O LEU A 38 -7.865 -9.962 0.643 1.00 0.00 O ATOM 577 CB LEU A 38 -5.782 -10.821 -1.836 1.00 0.00 C ATOM 578 CG LEU A 38 -5.116 -11.806 -2.797 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.744 -11.300 -3.215 1.00 0.00 C ATOM 580 CD2 LEU A 38 -5.006 -13.183 -2.158 1.00 0.00 C ATOM 0 H LEU A 38 -7.554 -11.892 -3.172 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.901 -12.014 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.956 -9.886 -2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.083 -10.603 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.737 -11.889 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.286 -12.014 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.848 -10.336 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.114 -11.186 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.530 -13.871 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.408 -13.116 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.002 -13.550 -1.910 1.00 0.00 H new ATOM 592 N SER A 39 -8.373 -9.219 -1.419 1.00 0.00 N ATOM 593 CA SER A 39 -9.083 -8.039 -0.938 1.00 0.00 C ATOM 594 C SER A 39 -9.997 -8.394 0.230 1.00 0.00 C ATOM 595 O SER A 39 -9.901 -7.809 1.310 1.00 0.00 O ATOM 596 CB SER A 39 -9.902 -7.414 -2.069 1.00 0.00 C ATOM 597 OG SER A 39 -9.968 -6.005 -1.932 1.00 0.00 O ATOM 0 H SER A 39 -8.345 -9.309 -2.435 1.00 0.00 H new ATOM 0 HA SER A 39 -8.344 -7.317 -0.592 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.455 -7.669 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.909 -7.830 -2.066 1.00 0.00 H new ATOM 0 HG SER A 39 -10.495 -5.629 -2.668 1.00 0.00 H new ATOM 603 N LYS A 40 -10.885 -9.357 0.008 1.00 0.00 N ATOM 604 CA LYS A 40 -11.817 -9.793 1.040 1.00 0.00 C ATOM 605 C LYS A 40 -11.162 -9.752 2.417 1.00 0.00 C ATOM 606 O LYS A 40 -11.829 -9.524 3.426 1.00 0.00 O ATOM 607 CB LYS A 40 -12.315 -11.209 0.742 1.00 0.00 C ATOM 608 CG LYS A 40 -13.276 -11.281 -0.433 1.00 0.00 C ATOM 609 CD LYS A 40 -14.721 -11.163 0.020 1.00 0.00 C ATOM 610 CE LYS A 40 -15.684 -11.629 -1.061 1.00 0.00 C ATOM 611 NZ LYS A 40 -16.960 -12.138 -0.486 1.00 0.00 N ATOM 0 H LYS A 40 -10.979 -9.851 -0.879 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.666 -9.109 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.458 -11.851 0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.809 -11.606 1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.049 -10.482 -1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.135 -12.224 -0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.870 -11.756 0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.938 -10.127 0.280 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.896 -10.803 -1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.213 -12.414 -1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.589 -12.446 -1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.761 -12.943 0.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.422 -11.381 0.057 1.00 0.00 H new ATOM 625 N MET A 41 -9.852 -9.975 2.450 1.00 0.00 N ATOM 626 CA MET A 41 -9.106 -9.961 3.704 1.00 0.00 C ATOM 627 C MET A 41 -8.488 -8.589 3.954 1.00 0.00 C ATOM 628 O MET A 41 -8.422 -8.124 5.093 1.00 0.00 O ATOM 629 CB MET A 41 -8.012 -11.030 3.683 1.00 0.00 C ATOM 630 CG MET A 41 -8.507 -12.397 3.240 1.00 0.00 C ATOM 631 SD MET A 41 -7.171 -13.594 3.058 1.00 0.00 S ATOM 632 CE MET A 41 -7.384 -14.082 1.347 1.00 0.00 C ATOM 0 H MET A 41 -9.285 -10.167 1.624 1.00 0.00 H new ATOM 0 HA MET A 41 -9.802 -10.179 4.514 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.213 -10.708 3.015 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.579 -11.115 4.680 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.228 -12.771 3.967 1.00 0.00 H new ATOM 0 HG3 MET A 41 -9.033 -12.298 2.291 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.733 -15.114 1.304 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.117 -13.430 0.871 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.431 -13.999 0.824 1.00 0.00 H new ATOM 642 N LEU A 42 -8.036 -7.945 2.883 1.00 0.00 N ATOM 643 CA LEU A 42 -7.423 -6.625 2.987 1.00 0.00 C ATOM 644 C LEU A 42 -8.436 -5.590 3.464 1.00 0.00 C ATOM 645 O LEU A 42 -8.066 -4.545 3.998 1.00 0.00 O ATOM 646 CB LEU A 42 -6.844 -6.203 1.635 1.00 0.00 C ATOM 647 CG LEU A 42 -5.715 -7.076 1.086 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.299 -6.603 -0.298 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.525 -7.069 2.035 1.00 0.00 C ATOM 0 H LEU A 42 -8.082 -8.315 1.934 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.618 -6.682 3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.653 -6.188 0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.476 -5.181 1.723 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.081 -8.099 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.495 -7.236 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.152 -6.662 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.952 -5.571 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.731 -7.696 1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.159 -6.049 2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.832 -7.457 3.006 1.00 0.00 H new ATOM 661 N GLY A 43 -9.717 -5.889 3.270 1.00 0.00 N ATOM 662 CA GLY A 43 -10.764 -4.975 3.689 1.00 0.00 C ATOM 663 C GLY A 43 -11.121 -5.134 5.154 1.00 0.00 C ATOM 664 O GLY A 43 -11.129 -4.161 5.908 1.00 0.00 O ATOM 0 H GLY A 43 -10.048 -6.748 2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.442 -3.950 3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.653 -5.143 3.081 1.00 0.00 H new ATOM 668 N LYS A 44 -11.418 -6.365 5.558 1.00 0.00 N ATOM 669 CA LYS A 44 -11.778 -6.649 6.942 1.00 0.00 C ATOM 670 C LYS A 44 -10.706 -6.137 7.900 1.00 0.00 C ATOM 671 O LYS A 44 -11.010 -5.702 9.011 1.00 0.00 O ATOM 672 CB LYS A 44 -11.976 -8.154 7.140 1.00 0.00 C ATOM 673 CG LYS A 44 -10.681 -8.947 7.115 1.00 0.00 C ATOM 674 CD LYS A 44 -10.896 -10.381 7.569 1.00 0.00 C ATOM 675 CE LYS A 44 -9.616 -11.195 7.468 1.00 0.00 C ATOM 676 NZ LYS A 44 -9.793 -12.575 7.999 1.00 0.00 N ATOM 0 H LYS A 44 -11.416 -7.181 4.947 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.713 -6.133 7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.478 -8.324 8.093 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.638 -8.530 6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.270 -8.942 6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.946 -8.466 7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.253 -10.388 8.599 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.672 -10.844 6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.298 -11.245 6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.822 -10.693 8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.898 -13.098 7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.071 -12.529 9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.533 -13.064 7.456 1.00 0.00 H new ATOM 690 N SER A 45 -9.453 -6.190 7.461 1.00 0.00 N ATOM 691 CA SER A 45 -8.336 -5.733 8.280 1.00 0.00 C ATOM 692 C SER A 45 -8.204 -4.215 8.220 1.00 0.00 C ATOM 693 O SER A 45 -7.764 -3.580 9.179 1.00 0.00 O ATOM 694 CB SER A 45 -7.034 -6.389 7.817 1.00 0.00 C ATOM 695 OG SER A 45 -6.957 -7.735 8.254 1.00 0.00 O ATOM 0 H SER A 45 -9.185 -6.545 6.543 1.00 0.00 H new ATOM 0 HA SER A 45 -8.532 -6.022 9.312 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.972 -6.352 6.729 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.183 -5.829 8.204 1.00 0.00 H new ATOM 0 HG SER A 45 -6.117 -8.132 7.944 1.00 0.00 H new ATOM 701 N TRP A 46 -8.586 -3.639 7.086 1.00 0.00 N ATOM 702 CA TRP A 46 -8.511 -2.194 6.899 1.00 0.00 C ATOM 703 C TRP A 46 -9.494 -1.474 7.816 1.00 0.00 C ATOM 704 O TRP A 46 -9.093 -0.781 8.751 1.00 0.00 O ATOM 705 CB TRP A 46 -8.795 -1.832 5.441 1.00 0.00 C ATOM 706 CG TRP A 46 -8.758 -0.357 5.176 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.792 0.425 4.749 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.628 0.511 5.320 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.374 1.728 4.619 1.00 0.00 N ATOM 710 CE2 TRP A 46 -8.051 1.806 4.964 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.302 0.320 5.718 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -7.193 2.903 4.993 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.452 1.409 5.745 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.900 2.687 5.385 1.00 0.00 C ATOM 0 H TRP A 46 -8.951 -4.150 6.282 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.502 -1.872 7.156 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -8.063 -2.327 4.802 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.775 -2.219 5.162 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.792 0.072 4.543 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.955 2.510 4.315 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.948 -0.661 5.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.536 3.889 4.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.425 1.273 6.049 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.211 3.518 5.418 1.00 0.00 H new ATOM 725 N LYS A 47 -10.783 -1.643 7.542 1.00 0.00 N ATOM 726 CA LYS A 47 -11.824 -1.010 8.343 1.00 0.00 C ATOM 727 C LYS A 47 -11.535 -1.166 9.833 1.00 0.00 C ATOM 728 O LYS A 47 -11.864 -0.291 10.633 1.00 0.00 O ATOM 729 CB LYS A 47 -13.190 -1.616 8.012 1.00 0.00 C ATOM 730 CG LYS A 47 -13.929 -0.883 6.906 1.00 0.00 C ATOM 731 CD LYS A 47 -15.020 -1.747 6.296 1.00 0.00 C ATOM 732 CE LYS A 47 -14.436 -2.854 5.431 1.00 0.00 C ATOM 733 NZ LYS A 47 -15.489 -3.564 4.654 1.00 0.00 N ATOM 0 H LYS A 47 -11.132 -2.213 6.771 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.836 0.053 8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.055 -2.657 7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.806 -1.615 8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.368 0.031 7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.223 -0.586 6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.625 -2.185 7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.684 -1.126 5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.702 -2.430 4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.907 -3.568 6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.051 -4.311 4.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.176 -3.990 5.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.977 -2.888 4.032 1.00 0.00 H new ATOM 747 N ALA A 48 -10.917 -2.284 10.197 1.00 0.00 N ATOM 748 CA ALA A 48 -10.581 -2.552 11.590 1.00 0.00 C ATOM 749 C ALA A 48 -9.590 -1.523 12.123 1.00 0.00 C ATOM 750 O ALA A 48 -9.675 -1.106 13.279 1.00 0.00 O ATOM 751 CB ALA A 48 -10.014 -3.957 11.735 1.00 0.00 C ATOM 0 H ALA A 48 -10.639 -3.019 9.547 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.495 -2.478 12.179 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.767 -4.144 12.780 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.754 -4.684 11.401 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.114 -4.051 11.128 1.00 0.00 H new ATOM 757 N LEU A 49 -8.652 -1.117 11.275 1.00 0.00 N ATOM 758 CA LEU A 49 -7.644 -0.135 11.662 1.00 0.00 C ATOM 759 C LEU A 49 -8.298 1.151 12.156 1.00 0.00 C ATOM 760 O LEU A 49 -9.432 1.464 11.792 1.00 0.00 O ATOM 761 CB LEU A 49 -6.721 0.169 10.481 1.00 0.00 C ATOM 762 CG LEU A 49 -5.775 -0.956 10.061 1.00 0.00 C ATOM 763 CD1 LEU A 49 -5.046 -0.589 8.777 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.780 -1.258 11.172 1.00 0.00 C ATOM 0 H LEU A 49 -8.568 -1.452 10.315 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.055 -0.557 12.476 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.338 0.437 9.623 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.123 1.046 10.730 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.367 -1.852 9.876 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.377 -1.402 8.493 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.772 -0.422 7.981 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.466 0.320 8.935 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.114 -2.061 10.856 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.194 -0.365 11.388 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.318 -1.565 12.069 1.00 0.00 H new ATOM 776 N THR A 50 -7.575 1.895 12.987 1.00 0.00 N ATOM 777 CA THR A 50 -8.083 3.148 13.530 1.00 0.00 C ATOM 778 C THR A 50 -7.451 4.347 12.833 1.00 0.00 C ATOM 779 O THR A 50 -6.381 4.236 12.233 1.00 0.00 O ATOM 780 CB THR A 50 -7.820 3.252 15.044 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.411 3.266 15.297 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.462 2.089 15.786 1.00 0.00 C ATOM 0 H THR A 50 -6.635 1.651 13.299 1.00 0.00 H new ATOM 0 HA THR A 50 -9.159 3.155 13.354 1.00 0.00 H new ATOM 0 HB THR A 50 -8.262 4.181 15.404 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.253 3.334 16.262 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.263 2.184 16.853 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.539 2.098 15.616 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.045 1.150 15.421 1.00 0.00 H new ATOM 790 N LEU A 51 -8.118 5.493 12.915 1.00 0.00 N ATOM 791 CA LEU A 51 -7.619 6.715 12.292 1.00 0.00 C ATOM 792 C LEU A 51 -6.110 6.842 12.473 1.00 0.00 C ATOM 793 O LEU A 51 -5.368 6.974 11.500 1.00 0.00 O ATOM 794 CB LEU A 51 -8.321 7.937 12.887 1.00 0.00 C ATOM 795 CG LEU A 51 -8.106 9.259 12.150 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.885 9.983 12.696 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.962 9.018 10.655 1.00 0.00 C ATOM 0 H LEU A 51 -9.005 5.602 13.406 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.834 6.664 11.225 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.391 7.734 12.923 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.984 8.059 13.917 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.979 9.890 12.314 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.748 10.922 12.159 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.028 10.189 13.757 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.002 9.358 12.564 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.810 9.970 10.146 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.107 8.368 10.472 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.866 8.544 10.274 1.00 0.00 H new ATOM 809 N ALA A 52 -5.663 6.798 13.724 1.00 0.00 N ATOM 810 CA ALA A 52 -4.243 6.904 14.031 1.00 0.00 C ATOM 811 C ALA A 52 -3.428 5.908 13.214 1.00 0.00 C ATOM 812 O ALA A 52 -2.294 6.189 12.827 1.00 0.00 O ATOM 813 CB ALA A 52 -4.007 6.687 15.519 1.00 0.00 C ATOM 0 H ALA A 52 -6.264 6.690 14.541 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.913 7.908 13.764 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.942 6.769 15.734 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.551 7.441 16.087 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.359 5.695 15.802 1.00 0.00 H new ATOM 819 N GLU A 53 -4.014 4.743 12.954 1.00 0.00 N ATOM 820 CA GLU A 53 -3.340 3.705 12.183 1.00 0.00 C ATOM 821 C GLU A 53 -3.335 4.048 10.696 1.00 0.00 C ATOM 822 O GLU A 53 -2.440 3.640 9.955 1.00 0.00 O ATOM 823 CB GLU A 53 -4.020 2.352 12.403 1.00 0.00 C ATOM 824 CG GLU A 53 -3.817 1.789 13.800 1.00 0.00 C ATOM 825 CD GLU A 53 -2.517 1.020 13.935 1.00 0.00 C ATOM 826 OE1 GLU A 53 -1.532 1.397 13.266 1.00 0.00 O ATOM 827 OE2 GLU A 53 -2.485 0.042 14.710 1.00 0.00 O ATOM 0 H GLU A 53 -4.953 4.495 13.266 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.308 3.645 12.528 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.088 2.457 12.214 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.636 1.639 11.674 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.829 2.605 14.522 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.651 1.132 14.048 1.00 0.00 H new ATOM 834 N LYS A 54 -4.342 4.801 10.266 1.00 0.00 N ATOM 835 CA LYS A 54 -4.455 5.201 8.868 1.00 0.00 C ATOM 836 C LYS A 54 -3.712 6.509 8.614 1.00 0.00 C ATOM 837 O LYS A 54 -3.536 6.921 7.468 1.00 0.00 O ATOM 838 CB LYS A 54 -5.927 5.355 8.479 1.00 0.00 C ATOM 839 CG LYS A 54 -6.763 4.118 8.759 1.00 0.00 C ATOM 840 CD LYS A 54 -8.248 4.403 8.607 1.00 0.00 C ATOM 841 CE LYS A 54 -8.721 4.148 7.184 1.00 0.00 C ATOM 842 NZ LYS A 54 -10.178 4.415 7.028 1.00 0.00 N ATOM 0 H LYS A 54 -5.091 5.147 10.865 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.002 4.422 8.255 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.351 6.200 9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.990 5.593 7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.473 3.319 8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.561 3.762 9.769 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.813 3.776 9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.451 5.439 8.879 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.160 4.780 6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.510 3.114 6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.462 4.230 6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.715 3.794 7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.376 5.408 7.264 1.00 0.00 H new ATOM 856 N ARG A 55 -3.277 7.155 9.691 1.00 0.00 N ATOM 857 CA ARG A 55 -2.552 8.416 9.584 1.00 0.00 C ATOM 858 C ARG A 55 -1.331 8.266 8.681 1.00 0.00 C ATOM 859 O ARG A 55 -1.114 9.048 7.754 1.00 0.00 O ATOM 860 CB ARG A 55 -2.119 8.899 10.969 1.00 0.00 C ATOM 861 CG ARG A 55 -2.123 10.412 11.116 1.00 0.00 C ATOM 862 CD ARG A 55 -3.516 10.937 11.426 1.00 0.00 C ATOM 863 NE ARG A 55 -3.701 12.307 10.955 1.00 0.00 N ATOM 864 CZ ARG A 55 -4.587 13.150 11.475 1.00 0.00 C ATOM 865 NH1 ARG A 55 -5.363 12.765 12.478 1.00 0.00 N ATOM 866 NH2 ARG A 55 -4.696 14.381 10.992 1.00 0.00 N ATOM 0 H ARG A 55 -3.414 6.826 10.647 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.221 9.154 9.142 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.783 8.468 11.719 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.117 8.525 11.178 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.438 10.703 11.912 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.757 10.869 10.197 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.259 10.290 10.960 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.688 10.897 12.502 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.118 12.635 10.185 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.281 11.820 12.853 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.042 13.414 12.875 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.099 14.681 10.221 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.376 15.027 11.392 1.00 0.00 H new ATOM 880 N PRO A 56 -0.514 7.239 8.956 1.00 0.00 N ATOM 881 CA PRO A 56 0.699 6.963 8.180 1.00 0.00 C ATOM 882 C PRO A 56 0.386 6.464 6.773 1.00 0.00 C ATOM 883 O PRO A 56 1.148 6.703 5.836 1.00 0.00 O ATOM 884 CB PRO A 56 1.398 5.869 8.992 1.00 0.00 C ATOM 885 CG PRO A 56 0.302 5.198 9.745 1.00 0.00 C ATOM 886 CD PRO A 56 -0.711 6.268 10.045 1.00 0.00 C ATOM 0 HA PRO A 56 1.304 7.859 8.036 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.920 5.166 8.343 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.142 6.291 9.668 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.141 4.395 9.156 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.678 4.749 10.664 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.726 5.870 10.050 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.541 6.720 11.022 1.00 0.00 H new ATOM 894 N PHE A 57 -0.739 5.772 6.633 1.00 0.00 N ATOM 895 CA PHE A 57 -1.152 5.239 5.339 1.00 0.00 C ATOM 896 C PHE A 57 -2.056 6.228 4.608 1.00 0.00 C ATOM 897 O PHE A 57 -2.352 6.057 3.425 1.00 0.00 O ATOM 898 CB PHE A 57 -1.879 3.905 5.522 1.00 0.00 C ATOM 899 CG PHE A 57 -1.164 2.954 6.438 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.090 2.465 6.109 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.746 2.548 7.628 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.751 1.589 6.950 1.00 0.00 C ATOM 903 CE2 PHE A 57 -1.090 1.673 8.473 1.00 0.00 C ATOM 904 CZ PHE A 57 0.159 1.192 8.133 1.00 0.00 C ATOM 0 H PHE A 57 -1.381 5.567 7.398 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.257 5.078 4.737 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.877 4.095 5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.006 3.433 4.548 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.557 2.772 5.185 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.723 2.920 7.898 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.729 1.216 6.682 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.554 1.366 9.399 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.672 0.506 8.791 1.00 0.00 H new ATOM 914 N VAL A 58 -2.492 7.261 5.321 1.00 0.00 N ATOM 915 CA VAL A 58 -3.361 8.278 4.741 1.00 0.00 C ATOM 916 C VAL A 58 -2.551 9.451 4.201 1.00 0.00 C ATOM 917 O VAL A 58 -2.894 10.033 3.172 1.00 0.00 O ATOM 918 CB VAL A 58 -4.378 8.802 5.773 1.00 0.00 C ATOM 919 CG1 VAL A 58 -4.949 10.140 5.327 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.488 7.785 5.991 1.00 0.00 C ATOM 0 H VAL A 58 -2.258 7.416 6.302 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.899 7.804 3.920 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.863 8.952 6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.665 10.495 6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.141 10.865 5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.450 10.020 4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.197 8.172 6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.003 7.601 5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.060 6.852 6.358 1.00 0.00 H new ATOM 930 N GLU A 59 -1.474 9.792 4.902 1.00 0.00 N ATOM 931 CA GLU A 59 -0.615 10.897 4.492 1.00 0.00 C ATOM 932 C GLU A 59 0.324 10.468 3.368 1.00 0.00 C ATOM 933 O GLU A 59 0.940 11.303 2.707 1.00 0.00 O ATOM 934 CB GLU A 59 0.197 11.410 5.683 1.00 0.00 C ATOM 935 CG GLU A 59 -0.655 11.793 6.881 1.00 0.00 C ATOM 936 CD GLU A 59 -1.125 13.233 6.825 1.00 0.00 C ATOM 937 OE1 GLU A 59 -0.311 14.111 6.472 1.00 0.00 O ATOM 938 OE2 GLU A 59 -2.310 13.482 7.135 1.00 0.00 O ATOM 0 H GLU A 59 -1.176 9.320 5.755 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.252 11.701 4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.909 10.641 5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.778 12.277 5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.521 11.134 6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.082 11.637 7.795 1.00 0.00 H new ATOM 945 N GLU A 60 0.428 9.159 3.160 1.00 0.00 N ATOM 946 CA GLU A 60 1.293 8.618 2.118 1.00 0.00 C ATOM 947 C GLU A 60 0.553 8.532 0.786 1.00 0.00 C ATOM 948 O GLU A 60 1.026 9.032 -0.233 1.00 0.00 O ATOM 949 CB GLU A 60 1.809 7.235 2.518 1.00 0.00 C ATOM 950 CG GLU A 60 2.405 6.449 1.362 1.00 0.00 C ATOM 951 CD GLU A 60 3.467 5.465 1.812 1.00 0.00 C ATOM 952 OE1 GLU A 60 3.988 5.627 2.936 1.00 0.00 O ATOM 953 OE2 GLU A 60 3.777 4.533 1.041 1.00 0.00 O ATOM 0 H GLU A 60 -0.075 8.454 3.699 1.00 0.00 H new ATOM 0 HA GLU A 60 2.141 9.293 2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.564 7.349 3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.989 6.662 2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.610 5.910 0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.839 7.142 0.642 1.00 0.00 H new ATOM 960 N ALA A 61 -0.613 7.893 0.805 1.00 0.00 N ATOM 961 CA ALA A 61 -1.420 7.741 -0.399 1.00 0.00 C ATOM 962 C ALA A 61 -1.752 9.097 -1.012 1.00 0.00 C ATOM 963 O ALA A 61 -1.836 9.233 -2.232 1.00 0.00 O ATOM 964 CB ALA A 61 -2.697 6.975 -0.086 1.00 0.00 C ATOM 0 H ALA A 61 -1.019 7.473 1.641 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.839 7.175 -1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.290 6.869 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.444 5.987 0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.274 7.519 0.662 1.00 0.00 H new ATOM 970 N GLU A 62 -1.940 10.098 -0.157 1.00 0.00 N ATOM 971 CA GLU A 62 -2.264 11.443 -0.617 1.00 0.00 C ATOM 972 C GLU A 62 -1.181 11.975 -1.551 1.00 0.00 C ATOM 973 O GLU A 62 -1.476 12.626 -2.553 1.00 0.00 O ATOM 974 CB GLU A 62 -2.432 12.387 0.576 1.00 0.00 C ATOM 975 CG GLU A 62 -2.504 13.854 0.187 1.00 0.00 C ATOM 976 CD GLU A 62 -3.325 14.676 1.160 1.00 0.00 C ATOM 977 OE1 GLU A 62 -4.416 14.215 1.555 1.00 0.00 O ATOM 978 OE2 GLU A 62 -2.876 15.782 1.528 1.00 0.00 O ATOM 0 H GLU A 62 -1.874 10.003 0.856 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.203 11.394 -1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.340 12.118 1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.598 12.243 1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.495 14.262 0.134 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.935 13.941 -0.810 1.00 0.00 H new ATOM 985 N ARG A 63 0.073 11.693 -1.214 1.00 0.00 N ATOM 986 CA ARG A 63 1.201 12.145 -2.021 1.00 0.00 C ATOM 987 C ARG A 63 1.255 11.393 -3.348 1.00 0.00 C ATOM 988 O ARG A 63 1.506 11.984 -4.399 1.00 0.00 O ATOM 989 CB ARG A 63 2.512 11.949 -1.258 1.00 0.00 C ATOM 990 CG ARG A 63 2.528 12.618 0.107 1.00 0.00 C ATOM 991 CD ARG A 63 3.427 11.873 1.082 1.00 0.00 C ATOM 992 NE ARG A 63 4.833 11.944 0.694 1.00 0.00 N ATOM 993 CZ ARG A 63 5.567 13.047 0.789 1.00 0.00 C ATOM 994 NH1 ARG A 63 5.030 14.166 1.257 1.00 0.00 N ATOM 995 NH2 ARG A 63 6.840 13.033 0.416 1.00 0.00 N ATOM 0 H ARG A 63 0.334 11.154 -0.388 1.00 0.00 H new ATOM 0 HA ARG A 63 1.065 13.206 -2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.693 10.882 -1.132 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.333 12.344 -1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.873 13.647 0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.514 12.660 0.505 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.305 12.293 2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.118 10.829 1.135 1.00 0.00 H new ATOM 0 HE ARG A 63 5.276 11.100 0.330 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.052 14.181 1.545 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.596 15.012 1.329 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.256 12.174 0.056 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.402 13.881 0.490 1.00 0.00 H new