USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=6 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= -4.07! C(o=-7.4!,f=-7.7!) USER MOD Set 1.2: A 41 MET CE :methyl -108:sc= -3.31! (180deg=-6.17!) USER MOD Single : A 12 MET CE :methyl 165:sc= -0.846 (180deg=-1.15) USER MOD Single : A 13 ASN : amide:sc= -4.09 K(o=-4.1,f=-9.7!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) 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=-0.00397 K(o=-0.004,f=-0.92) USER MOD Single : A 29 GLN : amide:sc= -0.0631 K(o=-0.063,f=-0.68) USER MOD Single : A 34 HIS : no HD1:sc= -6.12! C(o=-6.1!,f=-4.9!) USER MOD Single : A 35 ASN : amide:sc= -0.0086 K(o=-0.0086,f=-1.1) 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+ -178:sc= 0 (180deg=-0.00244) 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 -2.079 4.968 -5.586 1.00 0.00 N ATOM 148 CA MET A 12 -2.792 4.132 -4.628 1.00 0.00 C ATOM 149 C MET A 12 -3.375 4.975 -3.498 1.00 0.00 C ATOM 150 O MET A 12 -2.850 6.038 -3.171 1.00 0.00 O ATOM 151 CB MET A 12 -1.858 3.065 -4.054 1.00 0.00 C ATOM 152 CG MET A 12 -0.752 2.648 -5.010 1.00 0.00 C ATOM 153 SD MET A 12 -0.033 1.050 -4.586 1.00 0.00 S ATOM 154 CE MET A 12 0.681 1.414 -2.985 1.00 0.00 C ATOM 0 HA MET A 12 -3.612 3.642 -5.152 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.410 3.443 -3.135 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.445 2.187 -3.785 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.150 2.605 -6.024 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.031 3.407 -5.007 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.925 0.482 -2.475 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.588 2.004 -3.117 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.035 1.978 -2.387 1.00 0.00 H new ATOM 164 N ASN A 13 -4.463 4.493 -2.906 1.00 0.00 N ATOM 165 CA ASN A 13 -5.117 5.204 -1.813 1.00 0.00 C ATOM 166 C ASN A 13 -4.648 4.674 -0.462 1.00 0.00 C ATOM 167 O ASN A 13 -3.751 3.834 -0.390 1.00 0.00 O ATOM 168 CB ASN A 13 -6.637 5.069 -1.927 1.00 0.00 C ATOM 169 CG ASN A 13 -7.137 3.728 -1.425 1.00 0.00 C ATOM 170 OD1 ASN A 13 -7.725 3.636 -0.347 1.00 0.00 O ATOM 171 ND2 ASN A 13 -6.905 2.680 -2.206 1.00 0.00 N ATOM 0 H ASN A 13 -4.910 3.614 -3.165 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.846 6.257 -1.884 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.114 5.868 -1.359 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.934 5.198 -2.968 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.218 1.752 -1.921 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.414 2.803 -3.091 1.00 0.00 H new ATOM 178 N ALA A 14 -5.261 5.170 0.608 1.00 0.00 N ATOM 179 CA ALA A 14 -4.909 4.745 1.957 1.00 0.00 C ATOM 180 C ALA A 14 -5.037 3.233 2.107 1.00 0.00 C ATOM 181 O ALA A 14 -4.133 2.570 2.617 1.00 0.00 O ATOM 182 CB ALA A 14 -5.783 5.455 2.979 1.00 0.00 C ATOM 0 H ALA A 14 -6.004 5.867 0.566 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.868 5.015 2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.509 5.128 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.638 6.532 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.830 5.215 2.792 1.00 0.00 H new ATOM 188 N PHE A 15 -6.166 2.692 1.660 1.00 0.00 N ATOM 189 CA PHE A 15 -6.413 1.257 1.747 1.00 0.00 C ATOM 190 C PHE A 15 -5.353 0.475 0.976 1.00 0.00 C ATOM 191 O PHE A 15 -4.729 -0.440 1.512 1.00 0.00 O ATOM 192 CB PHE A 15 -7.804 0.924 1.204 1.00 0.00 C ATOM 193 CG PHE A 15 -7.988 -0.530 0.878 1.00 0.00 C ATOM 194 CD1 PHE A 15 -7.669 -1.018 -0.379 1.00 0.00 C ATOM 195 CD2 PHE A 15 -8.479 -1.410 1.829 1.00 0.00 C ATOM 196 CE1 PHE A 15 -7.838 -2.356 -0.681 1.00 0.00 C ATOM 197 CE2 PHE A 15 -8.650 -2.749 1.533 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.328 -3.223 0.276 1.00 0.00 C ATOM 0 H PHE A 15 -6.924 3.225 1.234 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.361 0.967 2.797 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.553 1.221 1.939 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.986 1.515 0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.284 -0.345 -1.131 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.731 -1.045 2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.587 -2.724 -1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -9.035 -3.424 2.283 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.459 -4.269 0.042 1.00 0.00 H new ATOM 208 N MET A 16 -5.156 0.843 -0.286 1.00 0.00 N ATOM 209 CA MET A 16 -4.172 0.177 -1.131 1.00 0.00 C ATOM 210 C MET A 16 -2.795 0.188 -0.474 1.00 0.00 C ATOM 211 O MET A 16 -2.215 -0.865 -0.207 1.00 0.00 O ATOM 212 CB MET A 16 -4.102 0.855 -2.501 1.00 0.00 C ATOM 213 CG MET A 16 -5.294 0.548 -3.392 1.00 0.00 C ATOM 214 SD MET A 16 -5.072 -0.961 -4.354 1.00 0.00 S ATOM 215 CE MET A 16 -4.204 -0.326 -5.786 1.00 0.00 C ATOM 0 H MET A 16 -5.665 1.598 -0.746 1.00 0.00 H new ATOM 0 HA MET A 16 -4.484 -0.859 -1.262 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.032 1.934 -2.360 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.190 0.540 -3.007 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.188 0.453 -2.776 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.461 1.385 -4.070 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.995 -1.143 -6.477 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.822 0.421 -6.284 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.266 0.131 -5.470 1.00 0.00 H new ATOM 225 N VAL A 17 -2.277 1.385 -0.217 1.00 0.00 N ATOM 226 CA VAL A 17 -0.968 1.532 0.410 1.00 0.00 C ATOM 227 C VAL A 17 -0.788 0.533 1.547 1.00 0.00 C ATOM 228 O VAL A 17 0.003 -0.405 1.443 1.00 0.00 O ATOM 229 CB VAL A 17 -0.765 2.958 0.956 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.615 3.099 1.580 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.969 3.985 -0.147 1.00 0.00 C ATOM 0 H VAL A 17 -2.743 2.266 -0.433 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.223 1.337 -0.362 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.508 3.141 1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.741 4.113 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.718 2.388 2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.377 2.897 0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.822 4.987 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.251 3.807 -0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.981 3.898 -0.542 1.00 0.00 H new ATOM 241 N TRP A 18 -1.526 0.740 2.631 1.00 0.00 N ATOM 242 CA TRP A 18 -1.447 -0.144 3.789 1.00 0.00 C ATOM 243 C TRP A 18 -1.526 -1.606 3.364 1.00 0.00 C ATOM 244 O TRP A 18 -0.919 -2.477 3.988 1.00 0.00 O ATOM 245 CB TRP A 18 -2.571 0.174 4.776 1.00 0.00 C ATOM 246 CG TRP A 18 -2.925 -0.980 5.665 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.432 -1.235 6.913 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.847 -2.036 5.372 1.00 0.00 C ATOM 249 NE1 TRP A 18 -2.992 -2.385 7.414 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.864 -2.895 6.488 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.662 -2.337 4.278 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.662 -4.035 6.538 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.453 -3.469 4.328 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.450 -4.306 5.452 1.00 0.00 C ATOM 0 H TRP A 18 -2.186 1.511 2.733 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.486 0.022 4.277 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.273 1.021 5.394 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.457 0.480 4.220 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.708 -0.622 7.430 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.791 -2.793 8.327 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.674 -1.696 3.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.659 -4.682 7.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.084 -3.713 3.486 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.082 -5.182 5.462 1.00 0.00 H new ATOM 265 N ALA A 19 -2.276 -1.869 2.298 1.00 0.00 N ATOM 266 CA ALA A 19 -2.431 -3.226 1.789 1.00 0.00 C ATOM 267 C ALA A 19 -1.153 -3.707 1.110 1.00 0.00 C ATOM 268 O ALA A 19 -0.804 -4.885 1.183 1.00 0.00 O ATOM 269 CB ALA A 19 -3.603 -3.296 0.822 1.00 0.00 C ATOM 0 H ALA A 19 -2.785 -1.160 1.771 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.632 -3.884 2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.707 -4.315 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.518 -3.003 1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.425 -2.620 -0.015 1.00 0.00 H new ATOM 275 N LYS A 20 -0.458 -2.788 0.448 1.00 0.00 N ATOM 276 CA LYS A 20 0.782 -3.117 -0.244 1.00 0.00 C ATOM 277 C LYS A 20 1.639 -4.060 0.593 1.00 0.00 C ATOM 278 O LYS A 20 2.411 -4.855 0.056 1.00 0.00 O ATOM 279 CB LYS A 20 1.567 -1.842 -0.561 1.00 0.00 C ATOM 280 CG LYS A 20 2.482 -1.395 0.567 1.00 0.00 C ATOM 281 CD LYS A 20 2.761 0.097 0.500 1.00 0.00 C ATOM 282 CE LYS A 20 3.714 0.436 -0.635 1.00 0.00 C ATOM 283 NZ LYS A 20 4.494 1.673 -0.354 1.00 0.00 N ATOM 0 H LYS A 20 -0.733 -1.808 0.376 1.00 0.00 H new ATOM 0 HA LYS A 20 0.526 -3.620 -1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.164 -2.006 -1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.865 -1.040 -0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.024 -1.638 1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.422 -1.945 0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.824 0.637 0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.187 0.431 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.399 -0.397 -0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.148 0.565 -1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.132 1.870 -1.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.842 2.473 -0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.054 1.541 0.513 1.00 0.00 H new ATOM 297 N ASP A 21 1.498 -3.967 1.911 1.00 0.00 N ATOM 298 CA ASP A 21 2.258 -4.814 2.823 1.00 0.00 C ATOM 299 C ASP A 21 1.471 -6.071 3.180 1.00 0.00 C ATOM 300 O ASP A 21 1.979 -7.186 3.067 1.00 0.00 O ATOM 301 CB ASP A 21 2.613 -4.041 4.094 1.00 0.00 C ATOM 302 CG ASP A 21 3.671 -4.744 4.922 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.872 -4.523 4.660 1.00 0.00 O ATOM 304 OD2 ASP A 21 3.299 -5.515 5.831 1.00 0.00 O ATOM 0 H ASP A 21 0.864 -3.314 2.372 1.00 0.00 H new ATOM 0 HA ASP A 21 3.178 -5.114 2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.968 -3.047 3.824 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.715 -3.906 4.696 1.00 0.00 H new ATOM 309 N GLU A 22 0.228 -5.882 3.613 1.00 0.00 N ATOM 310 CA GLU A 22 -0.628 -7.001 3.989 1.00 0.00 C ATOM 311 C GLU A 22 -0.799 -7.971 2.823 1.00 0.00 C ATOM 312 O GLU A 22 -0.498 -9.159 2.941 1.00 0.00 O ATOM 313 CB GLU A 22 -1.996 -6.494 4.449 1.00 0.00 C ATOM 314 CG GLU A 22 -2.060 -6.178 5.934 1.00 0.00 C ATOM 315 CD GLU A 22 -0.832 -5.437 6.426 1.00 0.00 C ATOM 316 OE1 GLU A 22 -0.330 -4.564 5.687 1.00 0.00 O ATOM 317 OE2 GLU A 22 -0.373 -5.730 7.550 1.00 0.00 O ATOM 0 H GLU A 22 -0.208 -4.965 3.712 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.149 -7.530 4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.251 -5.597 3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.750 -7.244 4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.947 -5.578 6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.169 -7.106 6.495 1.00 0.00 H new ATOM 324 N ARG A 23 -1.284 -7.455 1.698 1.00 0.00 N ATOM 325 CA ARG A 23 -1.497 -8.275 0.512 1.00 0.00 C ATOM 326 C ARG A 23 -0.378 -9.299 0.350 1.00 0.00 C ATOM 327 O ARG A 23 -0.630 -10.472 0.072 1.00 0.00 O ATOM 328 CB ARG A 23 -1.579 -7.392 -0.735 1.00 0.00 C ATOM 329 CG ARG A 23 -2.022 -8.140 -1.982 1.00 0.00 C ATOM 330 CD ARG A 23 -1.646 -7.385 -3.248 1.00 0.00 C ATOM 331 NE ARG A 23 -1.794 -8.211 -4.443 1.00 0.00 N ATOM 332 CZ ARG A 23 -1.423 -7.821 -5.657 1.00 0.00 C ATOM 333 NH1 ARG A 23 -0.884 -6.623 -5.836 1.00 0.00 N ATOM 334 NH2 ARG A 23 -1.590 -8.630 -6.695 1.00 0.00 N ATOM 0 H ARG A 23 -1.537 -6.473 1.583 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.439 -8.809 0.635 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.274 -6.574 -0.546 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.602 -6.944 -0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.563 -9.129 -1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.101 -8.290 -1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.273 -6.498 -3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.615 -7.040 -3.171 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.205 -9.139 -4.340 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.753 -5.998 -5.040 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.600 -6.326 -6.769 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.004 -9.553 -6.561 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.305 -8.329 -7.627 1.00 0.00 H new ATOM 348 N LYS A 24 0.860 -8.849 0.527 1.00 0.00 N ATOM 349 CA LYS A 24 2.019 -9.725 0.402 1.00 0.00 C ATOM 350 C LYS A 24 1.815 -11.013 1.193 1.00 0.00 C ATOM 351 O LYS A 24 2.068 -12.108 0.690 1.00 0.00 O ATOM 352 CB LYS A 24 3.280 -9.008 0.889 1.00 0.00 C ATOM 353 CG LYS A 24 3.668 -7.812 0.037 1.00 0.00 C ATOM 354 CD LYS A 24 5.170 -7.580 0.053 1.00 0.00 C ATOM 355 CE LYS A 24 5.902 -8.605 -0.798 1.00 0.00 C ATOM 356 NZ LYS A 24 5.959 -8.198 -2.230 1.00 0.00 N ATOM 0 H LYS A 24 1.086 -7.882 0.758 1.00 0.00 H new ATOM 0 HA LYS A 24 2.138 -9.982 -0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.126 -8.677 1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.108 -9.717 0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.334 -7.971 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.157 -6.922 0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.388 -6.578 -0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.536 -7.629 1.079 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.915 -8.736 -0.417 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.402 -9.570 -0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.466 -8.923 -2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.993 -8.097 -2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.458 -7.289 -2.313 1.00 0.00 H new ATOM 370 N ARG A 25 1.355 -10.874 2.432 1.00 0.00 N ATOM 371 CA ARG A 25 1.116 -12.027 3.292 1.00 0.00 C ATOM 372 C ARG A 25 -0.028 -12.880 2.753 1.00 0.00 C ATOM 373 O ARG A 25 -0.026 -14.104 2.898 1.00 0.00 O ATOM 374 CB ARG A 25 0.798 -11.570 4.717 1.00 0.00 C ATOM 375 CG ARG A 25 -0.683 -11.335 4.965 1.00 0.00 C ATOM 376 CD ARG A 25 -0.908 -10.279 6.035 1.00 0.00 C ATOM 377 NE ARG A 25 -0.726 -10.815 7.381 1.00 0.00 N ATOM 378 CZ ARG A 25 -0.761 -10.070 8.480 1.00 0.00 C ATOM 379 NH1 ARG A 25 -0.970 -8.764 8.393 1.00 0.00 N ATOM 380 NH2 ARG A 25 -0.586 -10.631 9.670 1.00 0.00 N ATOM 0 H ARG A 25 1.140 -9.975 2.863 1.00 0.00 H new ATOM 0 HA ARG A 25 2.022 -12.632 3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.161 -12.320 5.420 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.343 -10.649 4.924 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.163 -11.023 4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.155 -12.269 5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.216 -9.451 5.878 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.916 -9.875 5.939 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.563 -11.817 7.483 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.104 -8.329 7.480 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.996 -8.194 9.239 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.424 -11.636 9.741 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.613 -10.058 10.513 1.00 0.00 H new ATOM 394 N LEU A 26 -1.004 -12.228 2.132 1.00 0.00 N ATOM 395 CA LEU A 26 -2.155 -12.926 1.571 1.00 0.00 C ATOM 396 C LEU A 26 -1.735 -13.823 0.410 1.00 0.00 C ATOM 397 O LEU A 26 -2.166 -14.972 0.314 1.00 0.00 O ATOM 398 CB LEU A 26 -3.206 -11.920 1.098 1.00 0.00 C ATOM 399 CG LEU A 26 -3.673 -10.900 2.137 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.874 -10.123 1.619 1.00 0.00 C ATOM 401 CD2 LEU A 26 -4.008 -11.591 3.450 1.00 0.00 C ATOM 0 H LEU A 26 -1.021 -11.216 2.004 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.586 -13.552 2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.803 -11.379 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.076 -12.473 0.744 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.861 -10.196 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.193 -9.402 2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.600 -9.596 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.691 -10.813 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.338 -10.850 4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.803 -12.318 3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.122 -12.101 3.829 1.00 0.00 H new ATOM 413 N ALA A 27 -0.891 -13.291 -0.467 1.00 0.00 N ATOM 414 CA ALA A 27 -0.409 -14.045 -1.618 1.00 0.00 C ATOM 415 C ALA A 27 0.241 -15.354 -1.184 1.00 0.00 C ATOM 416 O ALA A 27 -0.093 -16.423 -1.695 1.00 0.00 O ATOM 417 CB ALA A 27 0.573 -13.208 -2.424 1.00 0.00 C ATOM 0 H ALA A 27 -0.527 -12.341 -0.403 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.266 -14.286 -2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.925 -13.784 -3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.077 -12.303 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.422 -12.937 -1.796 1.00 0.00 H new ATOM 423 N GLN A 28 1.171 -15.263 -0.238 1.00 0.00 N ATOM 424 CA GLN A 28 1.868 -16.442 0.263 1.00 0.00 C ATOM 425 C GLN A 28 0.906 -17.375 0.990 1.00 0.00 C ATOM 426 O GLN A 28 1.059 -18.596 0.946 1.00 0.00 O ATOM 427 CB GLN A 28 3.003 -16.028 1.201 1.00 0.00 C ATOM 428 CG GLN A 28 2.539 -15.205 2.391 1.00 0.00 C ATOM 429 CD GLN A 28 3.543 -15.204 3.527 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.678 -15.654 3.368 1.00 0.00 O ATOM 431 NE2 GLN A 28 3.130 -14.696 4.682 1.00 0.00 N ATOM 0 H GLN A 28 1.459 -14.386 0.196 1.00 0.00 H new ATOM 0 HA GLN A 28 2.287 -16.976 -0.590 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.508 -16.923 1.564 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.738 -15.454 0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.358 -14.179 2.070 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.589 -15.598 2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.180 -14.334 4.769 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.762 -14.668 5.482 1.00 0.00 H new ATOM 440 N GLN A 29 -0.084 -16.793 1.658 1.00 0.00 N ATOM 441 CA GLN A 29 -1.070 -17.574 2.396 1.00 0.00 C ATOM 442 C GLN A 29 -2.021 -18.290 1.443 1.00 0.00 C ATOM 443 O GLN A 29 -2.460 -19.408 1.711 1.00 0.00 O ATOM 444 CB GLN A 29 -1.862 -16.671 3.343 1.00 0.00 C ATOM 445 CG GLN A 29 -1.242 -16.546 4.725 1.00 0.00 C ATOM 446 CD GLN A 29 -2.251 -16.144 5.783 1.00 0.00 C ATOM 447 OE1 GLN A 29 -3.374 -16.647 5.810 1.00 0.00 O ATOM 448 NE2 GLN A 29 -1.855 -15.231 6.662 1.00 0.00 N ATOM 0 H GLN A 29 -0.225 -15.784 1.704 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.538 -18.324 2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.945 -15.678 2.900 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.875 -17.062 3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.789 -17.498 5.003 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.440 -15.808 4.694 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.915 -14.840 6.603 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.491 -14.921 7.396 1.00 0.00 H new ATOM 457 N ASN A 30 -2.336 -17.638 0.328 1.00 0.00 N ATOM 458 CA ASN A 30 -3.237 -18.212 -0.665 1.00 0.00 C ATOM 459 C ASN A 30 -2.623 -18.143 -2.060 1.00 0.00 C ATOM 460 O ASN A 30 -2.910 -17.241 -2.848 1.00 0.00 O ATOM 461 CB ASN A 30 -4.580 -17.480 -0.650 1.00 0.00 C ATOM 462 CG ASN A 30 -5.256 -17.541 0.706 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.629 -18.615 1.178 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.418 -16.385 1.339 1.00 0.00 N ATOM 0 H ASN A 30 -1.981 -16.712 0.090 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.399 -19.259 -0.410 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.426 -16.438 -0.930 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.238 -17.918 -1.401 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.867 -16.363 2.254 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.093 -15.519 0.910 1.00 0.00 H new ATOM 471 N PRO A 31 -1.758 -19.119 -2.375 1.00 0.00 N ATOM 472 CA PRO A 31 -1.086 -19.192 -3.676 1.00 0.00 C ATOM 473 C PRO A 31 -2.048 -19.546 -4.805 1.00 0.00 C ATOM 474 O PRO A 31 -1.668 -19.557 -5.976 1.00 0.00 O ATOM 475 CB PRO A 31 -0.057 -20.307 -3.481 1.00 0.00 C ATOM 476 CG PRO A 31 -0.620 -21.159 -2.397 1.00 0.00 C ATOM 477 CD PRO A 31 -1.369 -20.226 -1.485 1.00 0.00 C ATOM 0 HA PRO A 31 -0.649 -18.236 -3.964 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.086 -20.878 -4.398 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.916 -19.903 -3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.283 -21.922 -2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.172 -21.679 -1.858 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.239 -20.710 -1.042 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.743 -19.880 -0.662 1.00 0.00 H new ATOM 485 N ASP A 32 -3.294 -19.833 -4.447 1.00 0.00 N ATOM 486 CA ASP A 32 -4.311 -20.186 -5.431 1.00 0.00 C ATOM 487 C ASP A 32 -5.335 -19.066 -5.579 1.00 0.00 C ATOM 488 O ASP A 32 -6.073 -19.011 -6.564 1.00 0.00 O ATOM 489 CB ASP A 32 -5.012 -21.485 -5.029 1.00 0.00 C ATOM 490 CG ASP A 32 -5.515 -22.266 -6.227 1.00 0.00 C ATOM 491 OD1 ASP A 32 -4.710 -23.001 -6.836 1.00 0.00 O ATOM 492 OD2 ASP A 32 -6.713 -22.141 -6.556 1.00 0.00 O ATOM 0 H ASP A 32 -3.625 -19.828 -3.482 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.817 -20.332 -6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.321 -22.106 -4.458 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.850 -21.254 -4.372 1.00 0.00 H new ATOM 497 N LEU A 33 -5.376 -18.174 -4.595 1.00 0.00 N ATOM 498 CA LEU A 33 -6.311 -17.055 -4.615 1.00 0.00 C ATOM 499 C LEU A 33 -5.737 -15.880 -5.400 1.00 0.00 C ATOM 500 O LEU A 33 -4.528 -15.795 -5.615 1.00 0.00 O ATOM 501 CB LEU A 33 -6.643 -16.616 -3.188 1.00 0.00 C ATOM 502 CG LEU A 33 -7.499 -17.584 -2.370 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.803 -16.999 -0.999 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.787 -17.912 -3.109 1.00 0.00 C ATOM 0 H LEU A 33 -4.772 -18.204 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.225 -17.386 -5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.708 -16.449 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.159 -15.657 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.938 -18.508 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.413 -17.701 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.870 -16.816 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.344 -16.060 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.383 -18.602 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.353 -16.996 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.549 -18.374 -4.067 1.00 0.00 H new ATOM 516 N HIS A 34 -6.613 -14.974 -5.825 1.00 0.00 N ATOM 517 CA HIS A 34 -6.193 -13.801 -6.584 1.00 0.00 C ATOM 518 C HIS A 34 -6.597 -12.517 -5.867 1.00 0.00 C ATOM 519 O HIS A 34 -7.338 -12.549 -4.886 1.00 0.00 O ATOM 520 CB HIS A 34 -6.802 -13.830 -7.986 1.00 0.00 C ATOM 521 CG HIS A 34 -8.293 -13.973 -7.988 1.00 0.00 C ATOM 522 ND1 HIS A 34 -9.149 -12.923 -8.247 1.00 0.00 N ATOM 523 CD2 HIS A 34 -9.079 -15.051 -7.764 1.00 0.00 C ATOM 524 CE1 HIS A 34 -10.397 -13.349 -8.179 1.00 0.00 C ATOM 525 NE2 HIS A 34 -10.383 -14.637 -7.888 1.00 0.00 N ATOM 0 H HIS A 34 -7.617 -15.030 -5.657 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.106 -13.823 -6.668 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.532 -12.913 -8.509 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.365 -14.657 -8.546 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.744 -16.051 -7.531 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.279 -12.746 -8.335 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.206 -15.228 -7.774 1.00 0.00 H new ATOM 534 N ASN A 35 -6.103 -11.387 -6.364 1.00 0.00 N ATOM 535 CA ASN A 35 -6.412 -10.091 -5.770 1.00 0.00 C ATOM 536 C ASN A 35 -7.845 -10.061 -5.245 1.00 0.00 C ATOM 537 O ASN A 35 -8.073 -9.968 -4.039 1.00 0.00 O ATOM 538 CB ASN A 35 -6.210 -8.975 -6.796 1.00 0.00 C ATOM 539 CG ASN A 35 -5.868 -7.648 -6.147 1.00 0.00 C ATOM 540 OD1 ASN A 35 -6.104 -7.448 -4.956 1.00 0.00 O ATOM 541 ND2 ASN A 35 -5.308 -6.733 -6.931 1.00 0.00 N ATOM 0 H ASN A 35 -5.487 -11.343 -7.176 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.733 -9.932 -4.932 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.412 -9.257 -7.483 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.117 -8.863 -7.390 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.055 -5.821 -6.550 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.131 -6.943 -7.913 1.00 0.00 H new ATOM 548 N ALA A 36 -8.806 -10.142 -6.159 1.00 0.00 N ATOM 549 CA ALA A 36 -10.215 -10.127 -5.788 1.00 0.00 C ATOM 550 C ALA A 36 -10.454 -10.913 -4.504 1.00 0.00 C ATOM 551 O ALA A 36 -11.266 -10.520 -3.667 1.00 0.00 O ATOM 552 CB ALA A 36 -11.064 -10.689 -6.919 1.00 0.00 C ATOM 0 H ALA A 36 -8.634 -10.219 -7.162 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.507 -9.092 -5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.114 -10.672 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.925 -10.083 -7.814 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.761 -11.716 -7.126 1.00 0.00 H new ATOM 558 N GLU A 37 -9.741 -12.025 -4.355 1.00 0.00 N ATOM 559 CA GLU A 37 -9.878 -12.867 -3.172 1.00 0.00 C ATOM 560 C GLU A 37 -9.112 -12.275 -1.992 1.00 0.00 C ATOM 561 O GLU A 37 -9.603 -12.263 -0.862 1.00 0.00 O ATOM 562 CB GLU A 37 -9.373 -14.281 -3.464 1.00 0.00 C ATOM 563 CG GLU A 37 -10.286 -15.077 -4.380 1.00 0.00 C ATOM 564 CD GLU A 37 -11.409 -15.766 -3.630 1.00 0.00 C ATOM 565 OE1 GLU A 37 -11.437 -15.670 -2.385 1.00 0.00 O ATOM 566 OE2 GLU A 37 -12.261 -16.401 -4.286 1.00 0.00 O ATOM 0 H GLU A 37 -9.063 -12.364 -5.038 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.935 -12.914 -2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.384 -14.218 -3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.259 -14.818 -2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.711 -14.411 -5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.698 -15.824 -4.913 1.00 0.00 H new ATOM 573 N LEU A 38 -7.908 -11.785 -2.262 1.00 0.00 N ATOM 574 CA LEU A 38 -7.073 -11.191 -1.223 1.00 0.00 C ATOM 575 C LEU A 38 -7.780 -10.011 -0.564 1.00 0.00 C ATOM 576 O LEU A 38 -7.842 -9.918 0.662 1.00 0.00 O ATOM 577 CB LEU A 38 -5.738 -10.734 -1.814 1.00 0.00 C ATOM 578 CG LEU A 38 -5.057 -11.713 -2.771 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.700 -11.180 -3.204 1.00 0.00 C ATOM 580 CD2 LEU A 38 -4.912 -13.081 -2.120 1.00 0.00 C ATOM 0 H LEU A 38 -7.487 -11.787 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.887 -11.950 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.900 -9.794 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.053 -10.524 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.682 -11.819 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.230 -11.890 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.829 -10.223 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.066 -11.044 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.425 -13.765 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.309 -12.992 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.898 -13.467 -1.861 1.00 0.00 H new ATOM 592 N SER A 39 -8.314 -9.113 -1.386 1.00 0.00 N ATOM 593 CA SER A 39 -9.016 -7.939 -0.883 1.00 0.00 C ATOM 594 C SER A 39 -9.952 -8.314 0.262 1.00 0.00 C ATOM 595 O SER A 39 -9.879 -7.745 1.352 1.00 0.00 O ATOM 596 CB SER A 39 -9.810 -7.272 -2.008 1.00 0.00 C ATOM 597 OG SER A 39 -9.851 -5.866 -1.839 1.00 0.00 O ATOM 0 H SER A 39 -8.274 -9.177 -2.403 1.00 0.00 H new ATOM 0 HA SER A 39 -8.273 -7.236 -0.506 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.357 -7.513 -2.970 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.825 -7.669 -2.026 1.00 0.00 H new ATOM 0 HG SER A 39 -10.363 -5.463 -2.571 1.00 0.00 H new ATOM 603 N LYS A 40 -10.832 -9.276 0.007 1.00 0.00 N ATOM 604 CA LYS A 40 -11.783 -9.731 1.014 1.00 0.00 C ATOM 605 C LYS A 40 -11.146 -9.738 2.400 1.00 0.00 C ATOM 606 O LYS A 40 -11.824 -9.527 3.406 1.00 0.00 O ATOM 607 CB LYS A 40 -12.293 -11.132 0.669 1.00 0.00 C ATOM 608 CG LYS A 40 -13.190 -11.168 -0.556 1.00 0.00 C ATOM 609 CD LYS A 40 -14.655 -11.025 -0.178 1.00 0.00 C ATOM 610 CE LYS A 40 -15.547 -10.986 -1.410 1.00 0.00 C ATOM 611 NZ LYS A 40 -15.755 -9.596 -1.901 1.00 0.00 N ATOM 0 H LYS A 40 -10.906 -9.756 -0.890 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.624 -9.037 1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.440 -11.790 0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.842 -11.530 1.523 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.909 -10.365 -1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.041 -12.106 -1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.950 -11.858 0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.795 -10.113 0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.100 -11.587 -2.201 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.511 -11.436 -1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.368 -9.613 -2.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.205 -9.028 -1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.837 -9.175 -2.150 1.00 0.00 H new ATOM 625 N MET A 41 -9.840 -9.979 2.445 1.00 0.00 N ATOM 626 CA MET A 41 -9.112 -10.010 3.708 1.00 0.00 C ATOM 627 C MET A 41 -8.497 -8.648 4.015 1.00 0.00 C ATOM 628 O MET A 41 -8.415 -8.239 5.174 1.00 0.00 O ATOM 629 CB MET A 41 -8.018 -11.079 3.665 1.00 0.00 C ATOM 630 CG MET A 41 -8.495 -12.415 3.120 1.00 0.00 C ATOM 631 SD MET A 41 -7.136 -13.548 2.770 1.00 0.00 S ATOM 632 CE MET A 41 -7.351 -13.800 1.010 1.00 0.00 C ATOM 0 H MET A 41 -9.264 -10.156 1.622 1.00 0.00 H new ATOM 0 HA MET A 41 -9.819 -10.256 4.500 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.193 -10.719 3.050 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.625 -11.226 4.671 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.171 -12.876 3.840 1.00 0.00 H new ATOM 0 HG3 MET A 41 -9.067 -12.247 2.208 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.731 -14.806 0.830 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.061 -13.069 0.622 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.393 -13.679 0.505 1.00 0.00 H new ATOM 642 N LEU A 42 -8.065 -7.951 2.970 1.00 0.00 N ATOM 643 CA LEU A 42 -7.457 -6.634 3.127 1.00 0.00 C ATOM 644 C LEU A 42 -8.484 -5.613 3.606 1.00 0.00 C ATOM 645 O LEU A 42 -8.135 -4.608 4.222 1.00 0.00 O ATOM 646 CB LEU A 42 -6.841 -6.173 1.805 1.00 0.00 C ATOM 647 CG LEU A 42 -5.709 -7.041 1.254 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.349 -6.612 -0.160 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.490 -6.968 2.162 1.00 0.00 C ATOM 0 H LEU A 42 -8.124 -8.276 2.005 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.672 -6.712 3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.632 -6.124 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.463 -5.159 1.937 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.052 -8.075 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.542 -7.240 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.221 -6.717 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.026 -5.571 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.695 -7.592 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.145 -5.936 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.756 -7.324 3.157 1.00 0.00 H new ATOM 661 N GLY A 43 -9.755 -5.881 3.320 1.00 0.00 N ATOM 662 CA GLY A 43 -10.814 -4.978 3.730 1.00 0.00 C ATOM 663 C GLY A 43 -11.164 -5.123 5.198 1.00 0.00 C ATOM 664 O GLY A 43 -11.212 -4.136 5.933 1.00 0.00 O ATOM 0 H GLY A 43 -10.070 -6.707 2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.508 -3.951 3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.702 -5.167 3.127 1.00 0.00 H new ATOM 668 N LYS A 44 -11.410 -6.356 5.627 1.00 0.00 N ATOM 669 CA LYS A 44 -11.758 -6.629 7.016 1.00 0.00 C ATOM 670 C LYS A 44 -10.686 -6.092 7.960 1.00 0.00 C ATOM 671 O LYS A 44 -10.991 -5.619 9.055 1.00 0.00 O ATOM 672 CB LYS A 44 -11.937 -8.133 7.233 1.00 0.00 C ATOM 673 CG LYS A 44 -10.655 -8.929 7.062 1.00 0.00 C ATOM 674 CD LYS A 44 -10.852 -10.390 7.433 1.00 0.00 C ATOM 675 CE LYS A 44 -11.598 -11.145 6.343 1.00 0.00 C ATOM 676 NZ LYS A 44 -12.403 -12.268 6.899 1.00 0.00 N ATOM 0 H LYS A 44 -11.375 -7.183 5.031 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.698 -6.123 7.235 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.329 -8.303 8.236 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.683 -8.507 6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.316 -8.858 6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.872 -8.497 7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.882 -10.858 7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.407 -10.457 8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.254 -10.458 5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.884 -11.534 5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.896 -12.758 6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.774 -12.937 7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.101 -11.894 7.573 1.00 0.00 H new ATOM 690 N SER A 45 -9.431 -6.169 7.529 1.00 0.00 N ATOM 691 CA SER A 45 -8.315 -5.693 8.337 1.00 0.00 C ATOM 692 C SER A 45 -8.195 -4.174 8.258 1.00 0.00 C ATOM 693 O SER A 45 -7.726 -3.528 9.195 1.00 0.00 O ATOM 694 CB SER A 45 -7.010 -6.344 7.874 1.00 0.00 C ATOM 695 OG SER A 45 -6.867 -7.644 8.419 1.00 0.00 O ATOM 0 H SER A 45 -9.162 -6.557 6.625 1.00 0.00 H new ATOM 0 HA SER A 45 -8.504 -5.971 9.374 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.994 -6.399 6.786 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.165 -5.725 8.175 1.00 0.00 H new ATOM 0 HG SER A 45 -6.026 -8.039 8.107 1.00 0.00 H new ATOM 701 N TRP A 46 -8.622 -3.612 7.133 1.00 0.00 N ATOM 702 CA TRP A 46 -8.563 -2.169 6.930 1.00 0.00 C ATOM 703 C TRP A 46 -9.536 -1.449 7.858 1.00 0.00 C ATOM 704 O TRP A 46 -9.125 -0.757 8.790 1.00 0.00 O ATOM 705 CB TRP A 46 -8.878 -1.824 5.474 1.00 0.00 C ATOM 706 CG TRP A 46 -8.824 -0.354 5.186 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.846 0.431 4.735 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.688 0.505 5.328 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.414 1.727 4.587 1.00 0.00 N ATOM 710 CE2 TRP A 46 -8.094 1.799 4.946 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.368 0.309 5.743 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -7.226 2.888 4.966 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.508 1.391 5.762 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.940 2.667 5.376 1.00 0.00 C ATOM 0 H TRP A 46 -9.013 -4.133 6.348 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.552 -1.835 7.164 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -8.171 -2.340 4.825 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.871 -2.199 5.226 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.847 0.084 4.525 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.984 2.508 4.263 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.026 -0.670 6.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.557 3.872 4.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.485 1.251 6.080 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.244 3.492 5.403 1.00 0.00 H new ATOM 725 N LYS A 47 -10.829 -1.615 7.597 1.00 0.00 N ATOM 726 CA LYS A 47 -11.861 -0.982 8.408 1.00 0.00 C ATOM 727 C LYS A 47 -11.544 -1.117 9.894 1.00 0.00 C ATOM 728 O LYS A 47 -11.780 -0.196 10.675 1.00 0.00 O ATOM 729 CB LYS A 47 -13.227 -1.604 8.109 1.00 0.00 C ATOM 730 CG LYS A 47 -13.987 -0.898 7.000 1.00 0.00 C ATOM 731 CD LYS A 47 -15.044 -1.800 6.386 1.00 0.00 C ATOM 732 CE LYS A 47 -14.422 -2.848 5.475 1.00 0.00 C ATOM 733 NZ LYS A 47 -14.049 -2.280 4.150 1.00 0.00 N ATOM 0 H LYS A 47 -11.186 -2.183 6.829 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.888 0.078 8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.088 -2.650 7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.830 -1.590 9.017 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.460 0.000 7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.289 -0.576 6.227 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.608 -2.293 7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.753 -1.197 5.818 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.536 -3.265 5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.125 -3.669 5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.660 -3.033 3.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.892 -1.874 3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.334 -1.536 4.280 1.00 0.00 H new ATOM 747 N ALA A 48 -11.007 -2.271 10.278 1.00 0.00 N ATOM 748 CA ALA A 48 -10.655 -2.525 11.669 1.00 0.00 C ATOM 749 C ALA A 48 -9.657 -1.491 12.180 1.00 0.00 C ATOM 750 O ALA A 48 -9.762 -1.018 13.312 1.00 0.00 O ATOM 751 CB ALA A 48 -10.089 -3.929 11.822 1.00 0.00 C ATOM 0 H ALA A 48 -10.806 -3.045 9.644 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.562 -2.444 12.269 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.830 -4.105 12.866 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.834 -4.658 11.505 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.196 -4.031 11.205 1.00 0.00 H new ATOM 757 N LEU A 49 -8.688 -1.145 11.339 1.00 0.00 N ATOM 758 CA LEU A 49 -7.670 -0.167 11.705 1.00 0.00 C ATOM 759 C LEU A 49 -8.310 1.130 12.191 1.00 0.00 C ATOM 760 O LEU A 49 -9.427 1.469 11.798 1.00 0.00 O ATOM 761 CB LEU A 49 -6.756 0.118 10.513 1.00 0.00 C ATOM 762 CG LEU A 49 -5.819 -1.018 10.098 1.00 0.00 C ATOM 763 CD1 LEU A 49 -5.114 -0.679 8.794 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.805 -1.301 11.197 1.00 0.00 C ATOM 0 H LEU A 49 -8.586 -1.528 10.399 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.077 -0.585 12.518 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.379 0.379 9.657 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.151 0.994 10.746 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.416 -1.917 9.941 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.452 -1.499 8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.855 -0.527 8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.529 0.232 8.923 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.147 -2.112 10.885 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.213 -0.405 11.385 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.328 -1.589 12.109 1.00 0.00 H new ATOM 776 N THR A 50 -7.594 1.852 13.047 1.00 0.00 N ATOM 777 CA THR A 50 -8.091 3.112 13.586 1.00 0.00 C ATOM 778 C THR A 50 -7.499 4.302 12.838 1.00 0.00 C ATOM 779 O THR A 50 -6.534 4.158 12.087 1.00 0.00 O ATOM 780 CB THR A 50 -7.766 3.249 15.085 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.351 3.160 15.290 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.469 2.169 15.893 1.00 0.00 C ATOM 0 H THR A 50 -6.668 1.586 13.382 1.00 0.00 H new ATOM 0 HA THR A 50 -9.173 3.106 13.456 1.00 0.00 H new ATOM 0 HB THR A 50 -8.121 4.222 15.423 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.153 3.250 16.245 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.224 2.287 16.949 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.547 2.258 15.759 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.141 1.187 15.552 1.00 0.00 H new ATOM 790 N LEU A 51 -8.082 5.476 13.049 1.00 0.00 N ATOM 791 CA LEU A 51 -7.612 6.693 12.395 1.00 0.00 C ATOM 792 C LEU A 51 -6.099 6.831 12.528 1.00 0.00 C ATOM 793 O LEU A 51 -5.390 6.984 11.533 1.00 0.00 O ATOM 794 CB LEU A 51 -8.302 7.918 12.996 1.00 0.00 C ATOM 795 CG LEU A 51 -8.072 9.243 12.268 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.848 9.953 12.826 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.919 9.009 10.772 1.00 0.00 C ATOM 0 H LEU A 51 -8.881 5.612 13.668 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.862 6.627 11.336 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.374 7.726 13.029 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.966 8.030 14.027 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.941 9.880 12.429 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.700 10.894 12.296 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.996 10.154 13.887 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.970 9.321 12.695 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.756 9.962 10.269 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.067 8.353 10.592 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.824 8.543 10.382 1.00 0.00 H new ATOM 809 N ALA A 52 -5.610 6.775 13.762 1.00 0.00 N ATOM 810 CA ALA A 52 -4.181 6.890 14.024 1.00 0.00 C ATOM 811 C ALA A 52 -3.388 5.889 13.191 1.00 0.00 C ATOM 812 O ALA A 52 -2.255 6.159 12.794 1.00 0.00 O ATOM 813 CB ALA A 52 -3.898 6.689 15.506 1.00 0.00 C ATOM 0 H ALA A 52 -6.183 6.651 14.597 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.864 7.893 13.738 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.827 6.778 15.687 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.428 7.447 16.084 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.237 5.699 15.810 1.00 0.00 H new ATOM 819 N GLU A 53 -3.990 4.733 12.932 1.00 0.00 N ATOM 820 CA GLU A 53 -3.338 3.691 12.148 1.00 0.00 C ATOM 821 C GLU A 53 -3.334 4.049 10.664 1.00 0.00 C ATOM 822 O GLU A 53 -2.405 3.706 9.933 1.00 0.00 O ATOM 823 CB GLU A 53 -4.041 2.348 12.357 1.00 0.00 C ATOM 824 CG GLU A 53 -3.737 1.705 13.700 1.00 0.00 C ATOM 825 CD GLU A 53 -2.445 0.913 13.689 1.00 0.00 C ATOM 826 OE1 GLU A 53 -2.403 -0.143 13.024 1.00 0.00 O ATOM 827 OE2 GLU A 53 -1.475 1.348 14.345 1.00 0.00 O ATOM 0 H GLU A 53 -4.928 4.494 13.254 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.306 3.609 12.488 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.118 2.493 12.268 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.745 1.665 11.561 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.677 2.480 14.464 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.560 1.046 13.978 1.00 0.00 H new ATOM 834 N LYS A 54 -4.380 4.741 10.226 1.00 0.00 N ATOM 835 CA LYS A 54 -4.499 5.148 8.831 1.00 0.00 C ATOM 836 C LYS A 54 -3.753 6.454 8.579 1.00 0.00 C ATOM 837 O LYS A 54 -3.571 6.865 7.433 1.00 0.00 O ATOM 838 CB LYS A 54 -5.973 5.309 8.449 1.00 0.00 C ATOM 839 CG LYS A 54 -6.838 4.127 8.853 1.00 0.00 C ATOM 840 CD LYS A 54 -8.313 4.412 8.624 1.00 0.00 C ATOM 841 CE LYS A 54 -9.108 3.127 8.450 1.00 0.00 C ATOM 842 NZ LYS A 54 -10.531 3.296 8.856 1.00 0.00 N ATOM 0 H LYS A 54 -5.158 5.032 10.818 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.052 4.370 8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.365 6.212 8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.047 5.451 7.371 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.543 3.247 8.281 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.670 3.895 9.905 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.711 4.976 9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.431 5.037 7.739 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.063 2.810 7.408 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.652 2.335 9.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.039 2.398 8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.576 3.574 9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.973 4.034 8.272 1.00 0.00 H new ATOM 856 N ARG A 55 -3.322 7.101 9.657 1.00 0.00 N ATOM 857 CA ARG A 55 -2.595 8.361 9.552 1.00 0.00 C ATOM 858 C ARG A 55 -1.365 8.206 8.662 1.00 0.00 C ATOM 859 O ARG A 55 -1.138 8.982 7.734 1.00 0.00 O ATOM 860 CB ARG A 55 -2.175 8.849 10.940 1.00 0.00 C ATOM 861 CG ARG A 55 -2.191 10.362 11.083 1.00 0.00 C ATOM 862 CD ARG A 55 -3.603 10.888 11.283 1.00 0.00 C ATOM 863 NE ARG A 55 -3.755 12.253 10.785 1.00 0.00 N ATOM 864 CZ ARG A 55 -4.688 13.094 11.217 1.00 0.00 C ATOM 865 NH1 ARG A 55 -5.547 12.712 12.153 1.00 0.00 N ATOM 866 NH2 ARG A 55 -4.762 14.320 10.715 1.00 0.00 N ATOM 0 H ARG A 55 -3.463 6.774 10.613 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.259 9.098 9.100 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.841 8.415 11.686 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.172 8.482 11.157 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.569 10.655 11.929 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.755 10.817 10.194 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.309 10.235 10.771 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.854 10.859 12.343 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.109 12.578 10.066 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.492 11.771 12.542 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.263 13.359 12.483 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.102 14.618 9.997 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.479 14.965 11.048 1.00 0.00 H new ATOM 880 N PRO A 56 -0.551 7.179 8.951 1.00 0.00 N ATOM 881 CA PRO A 56 0.669 6.898 8.189 1.00 0.00 C ATOM 882 C PRO A 56 0.371 6.394 6.781 1.00 0.00 C ATOM 883 O PRO A 56 1.156 6.602 5.856 1.00 0.00 O ATOM 884 CB PRO A 56 1.359 5.808 9.012 1.00 0.00 C ATOM 885 CG PRO A 56 0.255 5.141 9.757 1.00 0.00 C ATOM 886 CD PRO A 56 -0.760 6.213 10.042 1.00 0.00 C ATOM 0 HA PRO A 56 1.275 7.793 8.048 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.887 5.102 8.371 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.096 6.233 9.693 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.183 4.336 9.167 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.622 4.695 10.682 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.775 5.816 10.039 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.599 6.669 11.019 1.00 0.00 H new ATOM 894 N PHE A 57 -0.770 5.729 6.625 1.00 0.00 N ATOM 895 CA PHE A 57 -1.172 5.194 5.330 1.00 0.00 C ATOM 896 C PHE A 57 -2.077 6.177 4.592 1.00 0.00 C ATOM 897 O PHE A 57 -2.379 5.996 3.413 1.00 0.00 O ATOM 898 CB PHE A 57 -1.892 3.856 5.508 1.00 0.00 C ATOM 899 CG PHE A 57 -1.161 2.897 6.403 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.075 2.390 6.035 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.710 2.500 7.611 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.751 1.507 6.856 1.00 0.00 C ATOM 903 CE2 PHE A 57 -1.039 1.618 8.437 1.00 0.00 C ATOM 904 CZ PHE A 57 0.193 1.120 8.058 1.00 0.00 C ATOM 0 H PHE A 57 -1.432 5.548 7.380 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.272 5.038 4.735 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.885 4.039 5.918 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.031 3.394 4.530 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.516 2.688 5.095 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.674 2.884 7.911 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.714 1.120 6.558 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.477 1.318 9.378 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.718 0.429 8.701 1.00 0.00 H new ATOM 914 N VAL A 58 -2.507 7.219 5.297 1.00 0.00 N ATOM 915 CA VAL A 58 -3.377 8.232 4.711 1.00 0.00 C ATOM 916 C VAL A 58 -2.570 9.417 4.194 1.00 0.00 C ATOM 917 O VAL A 58 -2.923 10.027 3.185 1.00 0.00 O ATOM 918 CB VAL A 58 -4.416 8.737 5.730 1.00 0.00 C ATOM 919 CG1 VAL A 58 -5.000 10.068 5.282 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.514 7.704 5.928 1.00 0.00 C ATOM 0 H VAL A 58 -2.267 7.384 6.275 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.897 7.759 3.878 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.916 8.890 6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.732 10.409 6.014 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.202 10.805 5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.485 9.945 4.314 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.239 8.078 6.651 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.013 7.517 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.078 6.776 6.298 1.00 0.00 H new ATOM 930 N GLU A 59 -1.485 9.737 4.892 1.00 0.00 N ATOM 931 CA GLU A 59 -0.628 10.850 4.503 1.00 0.00 C ATOM 932 C GLU A 59 0.323 10.439 3.382 1.00 0.00 C ATOM 933 O GLU A 59 0.977 11.282 2.769 1.00 0.00 O ATOM 934 CB GLU A 59 0.172 11.352 5.707 1.00 0.00 C ATOM 935 CG GLU A 59 -0.694 11.756 6.888 1.00 0.00 C ATOM 936 CD GLU A 59 -1.092 13.218 6.846 1.00 0.00 C ATOM 937 OE1 GLU A 59 -0.358 14.016 6.228 1.00 0.00 O ATOM 938 OE2 GLU A 59 -2.140 13.564 7.432 1.00 0.00 O ATOM 0 H GLU A 59 -1.179 9.241 5.729 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.265 11.655 4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.863 10.571 6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.775 12.206 5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.592 11.139 6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.155 11.556 7.814 1.00 0.00 H new ATOM 945 N GLU A 60 0.394 9.137 3.122 1.00 0.00 N ATOM 946 CA GLU A 60 1.265 8.614 2.076 1.00 0.00 C ATOM 947 C GLU A 60 0.521 8.512 0.748 1.00 0.00 C ATOM 948 O GLU A 60 0.986 9.012 -0.276 1.00 0.00 O ATOM 949 CB GLU A 60 1.809 7.241 2.475 1.00 0.00 C ATOM 950 CG GLU A 60 2.318 6.423 1.300 1.00 0.00 C ATOM 951 CD GLU A 60 3.348 5.389 1.711 1.00 0.00 C ATOM 952 OE1 GLU A 60 3.120 4.692 2.722 1.00 0.00 O ATOM 953 OE2 GLU A 60 4.383 5.277 1.021 1.00 0.00 O ATOM 0 H GLU A 60 -0.141 8.426 3.621 1.00 0.00 H new ATOM 0 HA GLU A 60 2.098 9.306 1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.619 7.375 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.023 6.682 2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.477 5.922 0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.756 7.092 0.559 1.00 0.00 H new ATOM 960 N ALA A 61 -0.637 7.861 0.774 1.00 0.00 N ATOM 961 CA ALA A 61 -1.447 7.694 -0.427 1.00 0.00 C ATOM 962 C ALA A 61 -1.814 9.045 -1.033 1.00 0.00 C ATOM 963 O ALA A 61 -1.947 9.173 -2.250 1.00 0.00 O ATOM 964 CB ALA A 61 -2.704 6.897 -0.109 1.00 0.00 C ATOM 0 H ALA A 61 -1.036 7.440 1.613 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.857 7.144 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.299 6.780 -1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.425 5.914 0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.289 7.425 0.644 1.00 0.00 H new ATOM 970 N GLU A 62 -1.976 10.048 -0.177 1.00 0.00 N ATOM 971 CA GLU A 62 -2.329 11.389 -0.630 1.00 0.00 C ATOM 972 C GLU A 62 -1.274 11.935 -1.586 1.00 0.00 C ATOM 973 O GLU A 62 -1.599 12.581 -2.583 1.00 0.00 O ATOM 974 CB GLU A 62 -2.487 12.330 0.566 1.00 0.00 C ATOM 975 CG GLU A 62 -2.571 13.797 0.179 1.00 0.00 C ATOM 976 CD GLU A 62 -3.358 14.621 1.179 1.00 0.00 C ATOM 977 OE1 GLU A 62 -3.175 14.408 2.396 1.00 0.00 O ATOM 978 OE2 GLU A 62 -4.156 15.478 0.747 1.00 0.00 O ATOM 0 H GLU A 62 -1.869 9.958 0.833 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.278 11.327 -1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.387 12.056 1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.644 12.189 1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.564 14.204 0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.036 13.884 -0.803 1.00 0.00 H new ATOM 985 N ARG A 63 -0.009 11.672 -1.276 1.00 0.00 N ATOM 986 CA ARG A 63 1.095 12.139 -2.106 1.00 0.00 C ATOM 987 C ARG A 63 1.159 11.358 -3.415 1.00 0.00 C ATOM 988 O ARG A 63 1.288 11.941 -4.492 1.00 0.00 O ATOM 989 CB ARG A 63 2.420 12.002 -1.353 1.00 0.00 C ATOM 990 CG ARG A 63 2.428 12.699 -0.002 1.00 0.00 C ATOM 991 CD ARG A 63 3.581 12.219 0.865 1.00 0.00 C ATOM 992 NE ARG A 63 4.843 12.855 0.499 1.00 0.00 N ATOM 993 CZ ARG A 63 5.965 12.719 1.197 1.00 0.00 C ATOM 994 NH1 ARG A 63 5.981 11.971 2.293 1.00 0.00 N ATOM 995 NH2 ARG A 63 7.074 13.330 0.800 1.00 0.00 N ATOM 0 H ARG A 63 0.277 11.138 -0.456 1.00 0.00 H new ATOM 0 HA ARG A 63 0.923 13.190 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.638 10.944 -1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.222 12.411 -1.968 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.505 13.776 -0.148 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.484 12.513 0.510 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.359 12.429 1.911 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.679 11.138 0.771 1.00 0.00 H new ATOM 0 HE ARG A 63 4.864 13.436 -0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.131 11.499 2.601 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.844 11.868 2.828 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.066 13.905 -0.042 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.935 13.224 1.337 1.00 0.00 H new