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= -3.84! C(o=-4.1!,f=-4!) USER MOD Set 1.2: A 41 MET CE :methyl -109:sc= -0.281 (180deg=-1.91!) USER MOD Single : A 12 MET CE :methyl 174:sc= -0.736 (180deg=-0.805) USER MOD Single : A 13 ASN : amide:sc= -3.68! K(o=-3.7!,f=-0.44) USER MOD Single : A 16 MET CE :methyl -153:sc= -0.16 (180deg=-0.73) USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= -0.0777 (180deg=-0.419) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0864 K(o=-0.086,f=-1.1) USER MOD Single : A 29 GLN : amide:sc= -0.0324 X(o=-0.032,f=-0.31) USER MOD Single : A 34 HIS : no HD1:sc= -4.64! C(o=-4.6!,f=-3.5!) USER MOD Single : A 35 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.8) 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 -1.924 5.032 -5.549 1.00 0.00 N ATOM 148 CA MET A 12 -2.635 4.129 -4.650 1.00 0.00 C ATOM 149 C MET A 12 -3.310 4.904 -3.523 1.00 0.00 C ATOM 150 O MET A 12 -2.890 6.008 -3.178 1.00 0.00 O ATOM 151 CB MET A 12 -1.673 3.092 -4.067 1.00 0.00 C ATOM 152 CG MET A 12 -0.509 2.759 -4.987 1.00 0.00 C ATOM 153 SD MET A 12 0.284 1.196 -4.565 1.00 0.00 S ATOM 154 CE MET A 12 1.059 1.619 -3.006 1.00 0.00 C ATOM 0 HA MET A 12 -3.405 3.616 -5.226 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.282 3.463 -3.120 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.226 2.178 -3.848 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.865 2.715 -6.016 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.228 3.561 -4.939 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.500 0.725 -2.565 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.838 2.362 -3.177 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.311 2.027 -2.327 1.00 0.00 H new ATOM 164 N ASN A 13 -4.358 4.319 -2.954 1.00 0.00 N ATOM 165 CA ASN A 13 -5.092 4.956 -1.866 1.00 0.00 C ATOM 166 C ASN A 13 -4.613 4.440 -0.512 1.00 0.00 C ATOM 167 O ASN A 13 -3.754 3.562 -0.439 1.00 0.00 O ATOM 168 CB ASN A 13 -6.593 4.703 -2.018 1.00 0.00 C ATOM 169 CG ASN A 13 -6.891 3.354 -2.643 1.00 0.00 C ATOM 170 OD1 ASN A 13 -7.003 3.234 -3.863 1.00 0.00 O ATOM 171 ND2 ASN A 13 -7.022 2.330 -1.807 1.00 0.00 N ATOM 0 H ASN A 13 -4.719 3.405 -3.228 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.905 6.029 -1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.069 4.760 -1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.031 5.490 -2.632 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.224 1.398 -2.170 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.921 2.476 -0.803 1.00 0.00 H new ATOM 178 N ALA A 14 -5.175 4.993 0.558 1.00 0.00 N ATOM 179 CA ALA A 14 -4.808 4.587 1.909 1.00 0.00 C ATOM 180 C ALA A 14 -4.971 3.083 2.095 1.00 0.00 C ATOM 181 O ALA A 14 -4.135 2.430 2.719 1.00 0.00 O ATOM 182 CB ALA A 14 -5.645 5.341 2.932 1.00 0.00 C ATOM 0 H ALA A 14 -5.886 5.723 0.515 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.757 4.833 2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.361 5.028 3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.474 6.412 2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.701 5.124 2.770 1.00 0.00 H new ATOM 188 N PHE A 15 -6.054 2.538 1.549 1.00 0.00 N ATOM 189 CA PHE A 15 -6.328 1.110 1.656 1.00 0.00 C ATOM 190 C PHE A 15 -5.315 0.300 0.852 1.00 0.00 C ATOM 191 O PHE A 15 -4.867 -0.761 1.286 1.00 0.00 O ATOM 192 CB PHE A 15 -7.745 0.803 1.168 1.00 0.00 C ATOM 193 CG PHE A 15 -7.959 -0.642 0.818 1.00 0.00 C ATOM 194 CD1 PHE A 15 -7.551 -1.139 -0.409 1.00 0.00 C ATOM 195 CD2 PHE A 15 -8.567 -1.504 1.717 1.00 0.00 C ATOM 196 CE1 PHE A 15 -7.747 -2.468 -0.734 1.00 0.00 C ATOM 197 CE2 PHE A 15 -8.766 -2.834 1.398 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.354 -3.317 0.171 1.00 0.00 C ATOM 0 H PHE A 15 -6.756 3.064 1.028 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.243 0.827 2.705 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.457 1.090 1.941 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.960 1.416 0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.074 -0.480 -1.120 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.889 -1.132 2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.426 -2.842 -1.695 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -9.243 -3.495 2.107 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.506 -4.356 -0.080 1.00 0.00 H new ATOM 208 N MET A 16 -4.958 0.809 -0.323 1.00 0.00 N ATOM 209 CA MET A 16 -3.998 0.134 -1.189 1.00 0.00 C ATOM 210 C MET A 16 -2.610 0.123 -0.556 1.00 0.00 C ATOM 211 O MET A 16 -2.003 -0.934 -0.384 1.00 0.00 O ATOM 212 CB MET A 16 -3.943 0.817 -2.556 1.00 0.00 C ATOM 213 CG MET A 16 -5.090 0.431 -3.475 1.00 0.00 C ATOM 214 SD MET A 16 -4.708 -1.002 -4.500 1.00 0.00 S ATOM 215 CE MET A 16 -3.444 -0.323 -5.573 1.00 0.00 C ATOM 0 H MET A 16 -5.319 1.687 -0.697 1.00 0.00 H new ATOM 0 HA MET A 16 -4.327 -0.897 -1.320 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.950 1.898 -2.414 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.000 0.566 -3.041 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.975 0.218 -2.875 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.336 1.277 -4.117 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.442 -0.863 -6.520 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.650 0.731 -5.756 1.00 0.00 H new ATOM 0 HE3 MET A 16 -2.469 -0.424 -5.096 1.00 0.00 H new ATOM 225 N VAL A 17 -2.112 1.307 -0.212 1.00 0.00 N ATOM 226 CA VAL A 17 -0.796 1.434 0.403 1.00 0.00 C ATOM 227 C VAL A 17 -0.632 0.453 1.558 1.00 0.00 C ATOM 228 O VAL A 17 0.232 -0.423 1.524 1.00 0.00 O ATOM 229 CB VAL A 17 -0.554 2.864 0.920 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.797 2.959 1.614 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.648 3.866 -0.221 1.00 0.00 C ATOM 0 H VAL A 17 -2.600 2.192 -0.349 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.062 1.206 -0.370 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.328 3.104 1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.951 3.977 1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.822 2.269 2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.587 2.699 0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.474 4.871 0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.103 3.630 -0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.640 3.815 -0.669 1.00 0.00 H new ATOM 241 N TRP A 18 -1.467 0.605 2.579 1.00 0.00 N ATOM 242 CA TRP A 18 -1.415 -0.268 3.746 1.00 0.00 C ATOM 243 C TRP A 18 -1.459 -1.734 3.331 1.00 0.00 C ATOM 244 O TRP A 18 -0.881 -2.594 3.994 1.00 0.00 O ATOM 245 CB TRP A 18 -2.576 0.042 4.693 1.00 0.00 C ATOM 246 CG TRP A 18 -2.961 -1.118 5.560 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.461 -1.420 6.795 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.925 -2.132 5.257 1.00 0.00 C ATOM 249 NE1 TRP A 18 -3.056 -2.560 7.278 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.959 -3.016 6.354 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.765 -2.378 4.168 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.799 -4.126 6.389 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.598 -3.480 4.204 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.610 -4.343 5.309 1.00 0.00 C ATOM 0 H TRP A 18 -2.188 1.325 2.623 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.474 -0.084 4.264 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.303 0.885 5.327 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.441 0.351 4.107 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.708 -0.846 7.315 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.858 -2.996 8.178 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.763 -1.718 3.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.810 -4.792 7.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.251 -3.680 3.367 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.273 -5.196 5.307 1.00 0.00 H new ATOM 265 N ALA A 19 -2.148 -2.013 2.229 1.00 0.00 N ATOM 266 CA ALA A 19 -2.265 -3.375 1.725 1.00 0.00 C ATOM 267 C ALA A 19 -0.953 -3.847 1.109 1.00 0.00 C ATOM 268 O ALA A 19 -0.539 -4.990 1.303 1.00 0.00 O ATOM 269 CB ALA A 19 -3.392 -3.466 0.706 1.00 0.00 C ATOM 0 H ALA A 19 -2.634 -1.313 1.668 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.497 -4.028 2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.468 -4.489 0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.332 -3.179 1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.184 -2.795 -0.127 1.00 0.00 H new ATOM 275 N LYS A 20 -0.301 -2.960 0.365 1.00 0.00 N ATOM 276 CA LYS A 20 0.966 -3.284 -0.280 1.00 0.00 C ATOM 277 C LYS A 20 1.788 -4.235 0.583 1.00 0.00 C ATOM 278 O LYS A 20 2.492 -5.104 0.069 1.00 0.00 O ATOM 279 CB LYS A 20 1.764 -2.008 -0.554 1.00 0.00 C ATOM 280 CG LYS A 20 2.643 -1.579 0.608 1.00 0.00 C ATOM 281 CD LYS A 20 2.837 -0.072 0.634 1.00 0.00 C ATOM 282 CE LYS A 20 3.939 0.364 -0.319 1.00 0.00 C ATOM 283 NZ LYS A 20 5.279 -0.107 0.130 1.00 0.00 N ATOM 0 H LYS A 20 -0.630 -2.010 0.194 1.00 0.00 H new ATOM 0 HA LYS A 20 0.747 -3.778 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.389 -2.162 -1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.072 -1.201 -0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.193 -1.905 1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.613 -2.070 0.532 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.904 0.421 0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.083 0.247 1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.732 -0.026 -1.316 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.943 1.451 -0.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.017 0.489 -0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.339 -0.045 1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.417 -1.094 -0.166 1.00 0.00 H new ATOM 297 N ASP A 21 1.693 -4.065 1.897 1.00 0.00 N ATOM 298 CA ASP A 21 2.426 -4.911 2.833 1.00 0.00 C ATOM 299 C ASP A 21 1.579 -6.102 3.268 1.00 0.00 C ATOM 300 O ASP A 21 2.062 -7.233 3.321 1.00 0.00 O ATOM 301 CB ASP A 21 2.855 -4.100 4.057 1.00 0.00 C ATOM 302 CG ASP A 21 3.882 -4.828 4.902 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.770 -5.486 4.320 1.00 0.00 O ATOM 304 OD2 ASP A 21 3.798 -4.739 6.145 1.00 0.00 O ATOM 0 H ASP A 21 1.116 -3.349 2.339 1.00 0.00 H new ATOM 0 HA ASP A 21 3.314 -5.287 2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.268 -3.146 3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.979 -3.877 4.667 1.00 0.00 H new ATOM 309 N GLU A 22 0.313 -5.840 3.579 1.00 0.00 N ATOM 310 CA GLU A 22 -0.600 -6.891 4.011 1.00 0.00 C ATOM 311 C GLU A 22 -0.783 -7.938 2.915 1.00 0.00 C ATOM 312 O GLU A 22 -0.505 -9.120 3.119 1.00 0.00 O ATOM 313 CB GLU A 22 -1.957 -6.294 4.392 1.00 0.00 C ATOM 314 CG GLU A 22 -1.884 -5.307 5.545 1.00 0.00 C ATOM 315 CD GLU A 22 -0.750 -5.611 6.504 1.00 0.00 C ATOM 316 OE1 GLU A 22 0.393 -5.194 6.222 1.00 0.00 O ATOM 317 OE2 GLU A 22 -1.005 -6.267 7.536 1.00 0.00 O ATOM 0 H GLU A 22 -0.103 -4.909 3.540 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.166 -7.377 4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.382 -5.793 3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.638 -7.102 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.759 -4.300 5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.828 -5.320 6.089 1.00 0.00 H new ATOM 324 N ARG A 23 -1.252 -7.494 1.754 1.00 0.00 N ATOM 325 CA ARG A 23 -1.474 -8.391 0.627 1.00 0.00 C ATOM 326 C ARG A 23 -0.336 -9.401 0.503 1.00 0.00 C ATOM 327 O ARG A 23 -0.569 -10.603 0.376 1.00 0.00 O ATOM 328 CB ARG A 23 -1.605 -7.592 -0.671 1.00 0.00 C ATOM 329 CG ARG A 23 -1.949 -8.446 -1.881 1.00 0.00 C ATOM 330 CD ARG A 23 -1.371 -7.860 -3.159 1.00 0.00 C ATOM 331 NE ARG A 23 0.019 -8.258 -3.365 1.00 0.00 N ATOM 332 CZ ARG A 23 0.378 -9.412 -3.916 1.00 0.00 C ATOM 333 NH1 ARG A 23 -0.545 -10.276 -4.316 1.00 0.00 N ATOM 334 NH2 ARG A 23 1.664 -9.703 -4.070 1.00 0.00 N ATOM 0 H ARG A 23 -1.486 -6.518 1.569 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.402 -8.935 0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.375 -6.831 -0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.668 -7.068 -0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.565 -9.456 -1.736 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.032 -8.527 -1.974 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.971 -8.184 -4.010 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.435 -6.773 -3.120 1.00 0.00 H new ATOM 0 HE ARG A 23 0.754 -7.615 -3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.534 -10.055 -4.201 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.266 -11.161 -4.739 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.377 -9.040 -3.765 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.939 -10.589 -4.493 1.00 0.00 H new ATOM 348 N LYS A 24 0.895 -8.903 0.539 1.00 0.00 N ATOM 349 CA LYS A 24 2.070 -9.759 0.432 1.00 0.00 C ATOM 350 C LYS A 24 1.873 -11.054 1.215 1.00 0.00 C ATOM 351 O LYS A 24 2.195 -12.139 0.729 1.00 0.00 O ATOM 352 CB LYS A 24 3.311 -9.025 0.946 1.00 0.00 C ATOM 353 CG LYS A 24 3.575 -7.708 0.236 1.00 0.00 C ATOM 354 CD LYS A 24 4.487 -7.896 -0.965 1.00 0.00 C ATOM 355 CE LYS A 24 4.191 -6.877 -2.055 1.00 0.00 C ATOM 356 NZ LYS A 24 5.103 -7.031 -3.222 1.00 0.00 N ATOM 0 H LYS A 24 1.105 -7.910 0.642 1.00 0.00 H new ATOM 0 HA LYS A 24 2.212 -10.008 -0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.195 -8.836 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.180 -9.672 0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.630 -7.272 -0.088 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.029 -7.003 0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.527 -7.803 -0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.363 -8.903 -1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.158 -6.988 -2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.289 -5.871 -1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.869 -6.318 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.087 -6.900 -2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.991 -7.982 -3.627 1.00 0.00 H new ATOM 370 N ARG A 25 1.342 -10.933 2.427 1.00 0.00 N ATOM 371 CA ARG A 25 1.102 -12.094 3.275 1.00 0.00 C ATOM 372 C ARG A 25 -0.043 -12.940 2.727 1.00 0.00 C ATOM 373 O ARG A 25 -0.043 -14.165 2.860 1.00 0.00 O ATOM 374 CB ARG A 25 0.783 -11.650 4.704 1.00 0.00 C ATOM 375 CG ARG A 25 -0.697 -11.413 4.953 1.00 0.00 C ATOM 376 CD ARG A 25 -0.920 -10.353 6.019 1.00 0.00 C ATOM 377 NE ARG A 25 -2.238 -10.468 6.639 1.00 0.00 N ATOM 378 CZ ARG A 25 -2.523 -11.337 7.603 1.00 0.00 C ATOM 379 NH1 ARG A 25 -1.588 -12.160 8.056 1.00 0.00 N ATOM 380 NH2 ARG A 25 -3.745 -11.382 8.117 1.00 0.00 N ATOM 0 H ARG A 25 1.070 -10.043 2.844 1.00 0.00 H new ATOM 0 HA ARG A 25 2.008 -12.701 3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.143 -12.408 5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.331 -10.733 4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.178 -11.104 4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.169 -12.346 5.262 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.150 -10.442 6.785 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.814 -9.364 5.574 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.980 -9.848 6.314 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.647 -12.127 7.665 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.810 -12.826 8.796 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.467 -10.749 7.772 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.963 -12.049 8.857 1.00 0.00 H new ATOM 394 N LEU A 26 -1.017 -12.281 2.111 1.00 0.00 N ATOM 395 CA LEU A 26 -2.169 -12.972 1.542 1.00 0.00 C ATOM 396 C LEU A 26 -1.754 -13.838 0.357 1.00 0.00 C ATOM 397 O LEU A 26 -2.155 -14.997 0.252 1.00 0.00 O ATOM 398 CB LEU A 26 -3.230 -11.961 1.103 1.00 0.00 C ATOM 399 CG LEU A 26 -3.703 -10.977 2.174 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.945 -10.235 1.705 1.00 0.00 C ATOM 401 CD2 LEU A 26 -3.976 -11.703 3.483 1.00 0.00 C ATOM 0 H LEU A 26 -1.033 -11.268 1.992 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.590 -13.619 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.834 -11.390 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.096 -12.510 0.735 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.911 -10.248 2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.267 -9.539 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.716 -9.683 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.743 -10.951 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.312 -10.987 4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.750 -12.455 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.063 -12.188 3.827 1.00 0.00 H new ATOM 413 N ALA A 27 -0.947 -13.268 -0.531 1.00 0.00 N ATOM 414 CA ALA A 27 -0.474 -13.989 -1.706 1.00 0.00 C ATOM 415 C ALA A 27 0.240 -15.277 -1.310 1.00 0.00 C ATOM 416 O ALA A 27 -0.121 -16.362 -1.766 1.00 0.00 O ATOM 417 CB ALA A 27 0.449 -13.105 -2.532 1.00 0.00 C ATOM 0 H ALA A 27 -0.607 -12.309 -0.459 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.341 -14.256 -2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.795 -13.657 -3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.092 -12.215 -2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.306 -12.809 -1.927 1.00 0.00 H new ATOM 423 N GLN A 28 1.252 -15.149 -0.459 1.00 0.00 N ATOM 424 CA GLN A 28 2.017 -16.304 -0.003 1.00 0.00 C ATOM 425 C GLN A 28 1.119 -17.296 0.730 1.00 0.00 C ATOM 426 O GLN A 28 1.306 -18.508 0.628 1.00 0.00 O ATOM 427 CB GLN A 28 3.158 -15.858 0.913 1.00 0.00 C ATOM 428 CG GLN A 28 2.691 -15.080 2.132 1.00 0.00 C ATOM 429 CD GLN A 28 3.659 -15.181 3.295 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.788 -15.647 3.139 1.00 0.00 O ATOM 431 NE2 GLN A 28 3.221 -14.743 4.469 1.00 0.00 N ATOM 0 H GLN A 28 1.562 -14.258 -0.071 1.00 0.00 H new ATOM 0 HA GLN A 28 2.436 -16.799 -0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.712 -16.737 1.243 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.851 -15.240 0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.562 -14.032 1.862 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.715 -15.452 2.443 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.278 -14.364 4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.828 -14.785 5.288 1.00 0.00 H new ATOM 440 N GLN A 29 0.147 -16.772 1.469 1.00 0.00 N ATOM 441 CA GLN A 29 -0.779 -17.612 2.220 1.00 0.00 C ATOM 442 C GLN A 29 -1.753 -18.320 1.284 1.00 0.00 C ATOM 443 O GLN A 29 -2.163 -19.452 1.540 1.00 0.00 O ATOM 444 CB GLN A 29 -1.551 -16.773 3.239 1.00 0.00 C ATOM 445 CG GLN A 29 -0.870 -16.685 4.595 1.00 0.00 C ATOM 446 CD GLN A 29 -1.848 -16.416 5.722 1.00 0.00 C ATOM 447 OE1 GLN A 29 -2.880 -17.078 5.836 1.00 0.00 O ATOM 448 NE2 GLN A 29 -1.527 -15.439 6.563 1.00 0.00 N ATOM 0 H GLN A 29 -0.020 -15.770 1.564 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.197 -18.367 2.749 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.684 -15.766 2.842 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.546 -17.199 3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.341 -17.617 4.793 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.122 -15.893 4.571 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.661 -14.916 6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.146 -15.212 7.341 1.00 0.00 H new ATOM 457 N ASN A 30 -2.119 -17.646 0.199 1.00 0.00 N ATOM 458 CA ASN A 30 -3.047 -18.211 -0.775 1.00 0.00 C ATOM 459 C ASN A 30 -2.497 -18.075 -2.192 1.00 0.00 C ATOM 460 O ASN A 30 -2.841 -17.155 -2.933 1.00 0.00 O ATOM 461 CB ASN A 30 -4.407 -17.518 -0.676 1.00 0.00 C ATOM 462 CG ASN A 30 -5.024 -17.649 0.703 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.346 -18.750 1.149 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.191 -16.522 1.386 1.00 0.00 N ATOM 0 H ASN A 30 -1.788 -16.708 -0.028 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.169 -19.271 -0.551 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.292 -16.462 -0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.084 -17.945 -1.416 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.601 -16.547 2.320 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.909 -15.631 0.977 1.00 0.00 H new ATOM 471 N PRO A 31 -1.621 -19.015 -2.579 1.00 0.00 N ATOM 472 CA PRO A 31 -1.006 -19.024 -3.909 1.00 0.00 C ATOM 473 C PRO A 31 -2.006 -19.364 -5.009 1.00 0.00 C ATOM 474 O PRO A 31 -1.683 -19.302 -6.195 1.00 0.00 O ATOM 475 CB PRO A 31 0.061 -20.117 -3.799 1.00 0.00 C ATOM 476 CG PRO A 31 -0.433 -21.021 -2.723 1.00 0.00 C ATOM 477 CD PRO A 31 -1.165 -20.142 -1.747 1.00 0.00 C ATOM 0 HA PRO A 31 -0.608 -18.046 -4.180 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.179 -20.651 -4.742 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.034 -19.696 -3.547 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.093 -21.787 -3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.394 -21.538 -2.238 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.002 -20.665 -1.285 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.513 -19.808 -0.940 1.00 0.00 H new ATOM 485 N ASP A 32 -3.220 -19.723 -4.607 1.00 0.00 N ATOM 486 CA ASP A 32 -4.269 -20.071 -5.558 1.00 0.00 C ATOM 487 C ASP A 32 -5.324 -18.971 -5.631 1.00 0.00 C ATOM 488 O ASP A 32 -6.086 -18.891 -6.596 1.00 0.00 O ATOM 489 CB ASP A 32 -4.922 -21.397 -5.167 1.00 0.00 C ATOM 490 CG ASP A 32 -4.238 -22.590 -5.804 1.00 0.00 C ATOM 491 OD1 ASP A 32 -3.597 -22.412 -6.861 1.00 0.00 O ATOM 492 OD2 ASP A 32 -4.343 -23.702 -5.245 1.00 0.00 O ATOM 0 H ASP A 32 -3.502 -19.781 -3.628 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.812 -20.177 -6.542 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.898 -21.505 -4.083 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.971 -21.383 -5.463 1.00 0.00 H new ATOM 497 N LEU A 33 -5.363 -18.128 -4.606 1.00 0.00 N ATOM 498 CA LEU A 33 -6.326 -17.033 -4.553 1.00 0.00 C ATOM 499 C LEU A 33 -5.810 -15.817 -5.316 1.00 0.00 C ATOM 500 O LEU A 33 -4.603 -15.642 -5.484 1.00 0.00 O ATOM 501 CB LEU A 33 -6.615 -16.652 -3.100 1.00 0.00 C ATOM 502 CG LEU A 33 -7.401 -17.676 -2.281 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.698 -17.134 -0.892 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.690 -18.053 -2.996 1.00 0.00 C ATOM 0 H LEU A 33 -4.740 -18.181 -3.800 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.249 -17.370 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.665 -16.467 -2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.167 -15.712 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.792 -18.574 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.258 -17.877 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.762 -16.915 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.288 -16.221 -0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.237 -18.783 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.304 -17.163 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.454 -18.484 -3.969 1.00 0.00 H new ATOM 516 N HIS A 34 -6.733 -14.978 -5.776 1.00 0.00 N ATOM 517 CA HIS A 34 -6.372 -13.776 -6.520 1.00 0.00 C ATOM 518 C HIS A 34 -6.834 -12.522 -5.783 1.00 0.00 C ATOM 519 O HIS A 34 -7.560 -12.604 -4.794 1.00 0.00 O ATOM 520 CB HIS A 34 -6.984 -13.814 -7.920 1.00 0.00 C ATOM 521 CG HIS A 34 -8.458 -14.079 -7.923 1.00 0.00 C ATOM 522 ND1 HIS A 34 -9.400 -13.086 -8.083 1.00 0.00 N ATOM 523 CD2 HIS A 34 -9.150 -15.234 -7.785 1.00 0.00 C ATOM 524 CE1 HIS A 34 -10.609 -13.618 -8.043 1.00 0.00 C ATOM 525 NE2 HIS A 34 -10.485 -14.921 -7.863 1.00 0.00 N ATOM 0 H HIS A 34 -7.736 -15.108 -5.647 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.286 -13.745 -6.608 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.793 -12.863 -8.417 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.483 -14.585 -8.505 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.730 -16.219 -7.640 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.540 -13.079 -8.141 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.255 -15.586 -7.793 1.00 0.00 H new ATOM 534 N ASN A 35 -6.407 -11.363 -6.274 1.00 0.00 N ATOM 535 CA ASN A 35 -6.777 -10.092 -5.661 1.00 0.00 C ATOM 536 C ASN A 35 -8.184 -10.159 -5.076 1.00 0.00 C ATOM 537 O ASN A 35 -8.361 -10.157 -3.858 1.00 0.00 O ATOM 538 CB ASN A 35 -6.694 -8.963 -6.691 1.00 0.00 C ATOM 539 CG ASN A 35 -5.292 -8.783 -7.239 1.00 0.00 C ATOM 540 OD1 ASN A 35 -4.350 -9.439 -6.794 1.00 0.00 O ATOM 541 ND2 ASN A 35 -5.147 -7.890 -8.212 1.00 0.00 N ATOM 0 H ASN A 35 -5.805 -11.278 -7.093 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.076 -9.889 -4.851 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.378 -9.174 -7.513 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.024 -8.031 -6.232 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.227 -7.726 -8.621 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.956 -7.369 -8.550 1.00 0.00 H new ATOM 548 N ALA A 36 -9.181 -10.219 -5.952 1.00 0.00 N ATOM 549 CA ALA A 36 -10.572 -10.289 -5.522 1.00 0.00 C ATOM 550 C ALA A 36 -10.708 -11.086 -4.230 1.00 0.00 C ATOM 551 O ALA A 36 -11.484 -10.724 -3.346 1.00 0.00 O ATOM 552 CB ALA A 36 -11.432 -10.904 -6.617 1.00 0.00 C ATOM 0 H ALA A 36 -9.052 -10.221 -6.964 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.919 -9.274 -5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.468 -10.950 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.368 -10.292 -7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.076 -11.911 -6.837 1.00 0.00 H new ATOM 558 N GLU A 37 -9.949 -12.172 -4.127 1.00 0.00 N ATOM 559 CA GLU A 37 -9.987 -13.021 -2.942 1.00 0.00 C ATOM 560 C GLU A 37 -9.195 -12.394 -1.798 1.00 0.00 C ATOM 561 O GLU A 37 -9.633 -12.402 -0.647 1.00 0.00 O ATOM 562 CB GLU A 37 -9.428 -14.409 -3.263 1.00 0.00 C ATOM 563 CG GLU A 37 -10.317 -15.225 -4.185 1.00 0.00 C ATOM 564 CD GLU A 37 -11.311 -16.083 -3.428 1.00 0.00 C ATOM 565 OE1 GLU A 37 -11.910 -15.578 -2.455 1.00 0.00 O ATOM 566 OE2 GLU A 37 -11.491 -17.259 -3.807 1.00 0.00 O ATOM 0 H GLU A 37 -9.300 -12.485 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.027 -13.119 -2.630 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.446 -14.298 -3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.284 -14.957 -2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.857 -14.553 -4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.695 -15.864 -4.812 1.00 0.00 H new ATOM 573 N LEU A 38 -8.027 -11.851 -2.123 1.00 0.00 N ATOM 574 CA LEU A 38 -7.172 -11.219 -1.123 1.00 0.00 C ATOM 575 C LEU A 38 -7.884 -10.043 -0.463 1.00 0.00 C ATOM 576 O LEU A 38 -7.935 -9.943 0.762 1.00 0.00 O ATOM 577 CB LEU A 38 -5.868 -10.745 -1.766 1.00 0.00 C ATOM 578 CG LEU A 38 -5.218 -11.711 -2.758 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.908 -11.140 -3.279 1.00 0.00 C ATOM 580 CD2 LEU A 38 -4.990 -13.068 -2.109 1.00 0.00 C ATOM 0 H LEU A 38 -7.650 -11.835 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.944 -11.958 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.061 -9.803 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.151 -10.534 -0.973 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.894 -11.844 -3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.460 -11.841 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.099 -10.192 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.225 -10.977 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.527 -13.743 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.334 -12.953 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.945 -13.482 -1.786 1.00 0.00 H new ATOM 592 N SER A 39 -8.435 -9.155 -1.285 1.00 0.00 N ATOM 593 CA SER A 39 -9.143 -7.984 -0.781 1.00 0.00 C ATOM 594 C SER A 39 -10.049 -8.358 0.389 1.00 0.00 C ATOM 595 O SER A 39 -9.953 -7.782 1.473 1.00 0.00 O ATOM 596 CB SER A 39 -9.972 -7.343 -1.897 1.00 0.00 C ATOM 597 OG SER A 39 -10.032 -5.936 -1.743 1.00 0.00 O ATOM 0 H SER A 39 -8.405 -9.224 -2.302 1.00 0.00 H new ATOM 0 HA SER A 39 -8.402 -7.266 -0.430 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.535 -7.588 -2.865 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.981 -7.756 -1.889 1.00 0.00 H new ATOM 0 HG SER A 39 -10.565 -5.550 -2.469 1.00 0.00 H new ATOM 603 N LYS A 40 -10.928 -9.328 0.162 1.00 0.00 N ATOM 604 CA LYS A 40 -11.851 -9.782 1.195 1.00 0.00 C ATOM 605 C LYS A 40 -11.193 -9.737 2.570 1.00 0.00 C ATOM 606 O LYS A 40 -11.857 -9.500 3.579 1.00 0.00 O ATOM 607 CB LYS A 40 -12.327 -11.205 0.892 1.00 0.00 C ATOM 608 CG LYS A 40 -13.253 -11.294 -0.308 1.00 0.00 C ATOM 609 CD LYS A 40 -14.712 -11.178 0.103 1.00 0.00 C ATOM 610 CE LYS A 40 -15.631 -11.146 -1.108 1.00 0.00 C ATOM 611 NZ LYS A 40 -15.872 -9.756 -1.585 1.00 0.00 N ATOM 0 H LYS A 40 -11.021 -9.815 -0.729 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.710 -9.111 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.459 -11.840 0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.841 -11.601 1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.010 -10.502 -1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.093 -12.242 -0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.979 -12.020 0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.854 -10.273 0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.192 -11.735 -1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.583 -11.613 -0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.503 -9.777 -2.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.315 -9.200 -0.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.967 -9.319 -1.852 1.00 0.00 H new ATOM 625 N MET A 41 -9.884 -9.965 2.603 1.00 0.00 N ATOM 626 CA MET A 41 -9.136 -9.947 3.855 1.00 0.00 C ATOM 627 C MET A 41 -8.531 -8.570 4.107 1.00 0.00 C ATOM 628 O MET A 41 -8.472 -8.106 5.247 1.00 0.00 O ATOM 629 CB MET A 41 -8.031 -11.005 3.829 1.00 0.00 C ATOM 630 CG MET A 41 -8.517 -12.380 3.399 1.00 0.00 C ATOM 631 SD MET A 41 -7.177 -13.579 3.266 1.00 0.00 S ATOM 632 CE MET A 41 -7.376 -14.122 1.571 1.00 0.00 C ATOM 0 H MET A 41 -9.319 -10.164 1.777 1.00 0.00 H new ATOM 0 HA MET A 41 -9.828 -10.174 4.666 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.243 -10.679 3.151 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.587 -11.079 4.822 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.253 -12.742 4.117 1.00 0.00 H new ATOM 0 HG3 MET A 41 -9.023 -12.298 2.437 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.757 -15.143 1.558 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.080 -13.466 1.059 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.413 -14.088 1.062 1.00 0.00 H new ATOM 642 N LEU A 42 -8.084 -7.920 3.038 1.00 0.00 N ATOM 643 CA LEU A 42 -7.483 -6.595 3.144 1.00 0.00 C ATOM 644 C LEU A 42 -8.498 -5.576 3.652 1.00 0.00 C ATOM 645 O LEU A 42 -8.136 -4.588 4.289 1.00 0.00 O ATOM 646 CB LEU A 42 -6.933 -6.152 1.787 1.00 0.00 C ATOM 647 CG LEU A 42 -5.824 -7.023 1.196 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.414 -6.507 -0.175 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.624 -7.066 2.132 1.00 0.00 C ATOM 0 H LEU A 42 -8.126 -8.289 2.088 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.663 -6.651 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.759 -6.118 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.555 -5.134 1.885 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.207 -8.037 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.624 -7.139 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.274 -6.528 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.050 -5.484 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.844 -7.690 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.241 -6.056 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.927 -7.482 3.093 1.00 0.00 H new ATOM 661 N GLY A 43 -9.773 -5.825 3.366 1.00 0.00 N ATOM 662 CA GLY A 43 -10.821 -4.921 3.802 1.00 0.00 C ATOM 663 C GLY A 43 -11.130 -5.062 5.280 1.00 0.00 C ATOM 664 O GLY A 43 -11.044 -4.094 6.035 1.00 0.00 O ATOM 0 H GLY A 43 -10.098 -6.636 2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.521 -3.894 3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.726 -5.113 3.225 1.00 0.00 H new ATOM 668 N LYS A 44 -11.492 -6.272 5.694 1.00 0.00 N ATOM 669 CA LYS A 44 -11.816 -6.537 7.091 1.00 0.00 C ATOM 670 C LYS A 44 -10.718 -6.016 8.012 1.00 0.00 C ATOM 671 O LYS A 44 -10.994 -5.529 9.109 1.00 0.00 O ATOM 672 CB LYS A 44 -12.014 -8.038 7.313 1.00 0.00 C ATOM 673 CG LYS A 44 -10.732 -8.844 7.198 1.00 0.00 C ATOM 674 CD LYS A 44 -10.934 -10.281 7.650 1.00 0.00 C ATOM 675 CE LYS A 44 -9.657 -11.096 7.504 1.00 0.00 C ATOM 676 NZ LYS A 44 -9.944 -12.542 7.291 1.00 0.00 N ATOM 0 H LYS A 44 -11.568 -7.084 5.082 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.743 -6.015 7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.446 -8.197 8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.735 -8.412 6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.385 -8.832 6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.953 -8.378 7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.258 -10.294 8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.729 -10.740 7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.076 -10.714 6.665 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.045 -10.975 8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.049 -13.063 7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.477 -12.914 8.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.507 -12.660 6.425 1.00 0.00 H new ATOM 690 N SER A 45 -9.473 -6.120 7.560 1.00 0.00 N ATOM 691 CA SER A 45 -8.333 -5.662 8.345 1.00 0.00 C ATOM 692 C SER A 45 -8.184 -4.146 8.251 1.00 0.00 C ATOM 693 O SER A 45 -7.737 -3.496 9.197 1.00 0.00 O ATOM 694 CB SER A 45 -7.050 -6.343 7.866 1.00 0.00 C ATOM 695 OG SER A 45 -6.996 -7.691 8.298 1.00 0.00 O ATOM 0 H SER A 45 -9.228 -6.518 6.653 1.00 0.00 H new ATOM 0 HA SER A 45 -8.509 -5.929 9.387 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.999 -6.304 6.778 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.184 -5.801 8.246 1.00 0.00 H new ATOM 0 HG SER A 45 -6.167 -8.104 7.977 1.00 0.00 H new ATOM 701 N TRP A 46 -8.560 -3.591 7.105 1.00 0.00 N ATOM 702 CA TRP A 46 -8.468 -2.152 6.887 1.00 0.00 C ATOM 703 C TRP A 46 -9.490 -1.406 7.738 1.00 0.00 C ATOM 704 O TRP A 46 -9.130 -0.686 8.670 1.00 0.00 O ATOM 705 CB TRP A 46 -8.682 -1.825 5.408 1.00 0.00 C ATOM 706 CG TRP A 46 -8.615 -0.358 5.109 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.626 0.430 4.638 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.475 0.496 5.258 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.183 1.722 4.485 1.00 0.00 N ATOM 710 CE2 TRP A 46 -7.868 1.788 4.859 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.162 0.294 5.691 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -6.993 2.872 4.881 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.295 1.370 5.711 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.713 2.646 5.310 1.00 0.00 C ATOM 0 H TRP A 46 -8.931 -4.115 6.313 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.470 -1.828 7.183 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -7.929 -2.344 4.816 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.653 -2.208 5.095 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.627 0.088 4.418 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.743 2.505 4.148 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.831 -0.685 6.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.313 3.856 4.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.277 1.225 6.042 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.012 3.467 5.340 1.00 0.00 H new ATOM 725 N LYS A 47 -10.766 -1.582 7.413 1.00 0.00 N ATOM 726 CA LYS A 47 -11.841 -0.926 8.149 1.00 0.00 C ATOM 727 C LYS A 47 -11.614 -1.033 9.653 1.00 0.00 C ATOM 728 O LYS A 47 -11.986 -0.138 10.411 1.00 0.00 O ATOM 729 CB LYS A 47 -13.191 -1.546 7.780 1.00 0.00 C ATOM 730 CG LYS A 47 -13.883 -0.851 6.621 1.00 0.00 C ATOM 731 CD LYS A 47 -14.803 -1.801 5.871 1.00 0.00 C ATOM 732 CE LYS A 47 -14.017 -2.750 4.980 1.00 0.00 C ATOM 733 NZ LYS A 47 -14.909 -3.534 4.081 1.00 0.00 N ATOM 0 H LYS A 47 -11.082 -2.174 6.644 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.845 0.129 7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.042 -2.596 7.527 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.845 -1.518 8.652 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.459 -0.004 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.135 -0.451 5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.394 -2.375 6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.504 -1.227 5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.307 -2.181 4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.436 -3.432 5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.335 -4.169 3.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.570 -4.097 4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.445 -2.884 3.471 1.00 0.00 H new ATOM 747 N ALA A 48 -11.001 -2.133 10.078 1.00 0.00 N ATOM 748 CA ALA A 48 -10.722 -2.354 11.492 1.00 0.00 C ATOM 749 C ALA A 48 -9.751 -1.308 12.030 1.00 0.00 C ATOM 750 O ALA A 48 -9.896 -0.834 13.158 1.00 0.00 O ATOM 751 CB ALA A 48 -10.165 -3.753 11.707 1.00 0.00 C ATOM 0 H ALA A 48 -10.688 -2.885 9.464 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.659 -2.259 12.041 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.961 -3.905 12.767 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.893 -4.490 11.368 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.241 -3.868 11.140 1.00 0.00 H new ATOM 757 N LEU A 49 -8.762 -0.952 11.217 1.00 0.00 N ATOM 758 CA LEU A 49 -7.767 0.039 11.612 1.00 0.00 C ATOM 759 C LEU A 49 -8.430 1.367 11.963 1.00 0.00 C ATOM 760 O LEU A 49 -9.484 1.709 11.425 1.00 0.00 O ATOM 761 CB LEU A 49 -6.749 0.244 10.489 1.00 0.00 C ATOM 762 CG LEU A 49 -5.896 -0.972 10.126 1.00 0.00 C ATOM 763 CD1 LEU A 49 -5.163 -0.737 8.814 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.909 -1.283 11.242 1.00 0.00 C ATOM 0 H LEU A 49 -8.628 -1.335 10.281 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.251 -0.333 12.497 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.284 0.567 9.596 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.083 1.058 10.774 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.556 -1.831 10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.561 -1.613 8.572 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.888 -0.563 8.018 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.514 0.134 8.910 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.310 -2.151 10.967 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.254 -0.426 11.398 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.455 -1.495 12.161 1.00 0.00 H new ATOM 776 N THR A 50 -7.804 2.115 12.867 1.00 0.00 N ATOM 777 CA THR A 50 -8.332 3.407 13.288 1.00 0.00 C ATOM 778 C THR A 50 -7.614 4.551 12.582 1.00 0.00 C ATOM 779 O THR A 50 -6.568 4.353 11.962 1.00 0.00 O ATOM 780 CB THR A 50 -8.203 3.596 14.811 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.904 4.107 15.133 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.431 2.282 15.542 1.00 0.00 C ATOM 0 H THR A 50 -6.931 1.848 13.321 1.00 0.00 H new ATOM 0 HA THR A 50 -9.387 3.422 13.015 1.00 0.00 H new ATOM 0 HB THR A 50 -8.964 4.308 15.131 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.830 4.226 16.103 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.335 2.442 16.616 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.431 1.910 15.319 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.691 1.551 15.216 1.00 0.00 H new ATOM 790 N LEU A 51 -8.180 5.749 12.680 1.00 0.00 N ATOM 791 CA LEU A 51 -7.593 6.926 12.051 1.00 0.00 C ATOM 792 C LEU A 51 -6.090 6.988 12.307 1.00 0.00 C ATOM 793 O LEU A 51 -5.299 7.150 11.379 1.00 0.00 O ATOM 794 CB LEU A 51 -8.264 8.197 12.575 1.00 0.00 C ATOM 795 CG LEU A 51 -7.706 9.518 12.045 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.448 9.910 12.804 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.421 9.416 10.553 1.00 0.00 C ATOM 0 H LEU A 51 -9.045 5.930 13.189 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.757 6.853 10.976 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.325 8.150 12.331 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.186 8.203 13.662 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.455 10.295 12.200 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.066 10.853 12.412 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.683 10.025 13.862 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.693 9.134 12.682 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.024 10.365 10.193 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.691 8.627 10.375 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.344 9.183 10.021 1.00 0.00 H new ATOM 809 N ALA A 52 -5.705 6.856 13.572 1.00 0.00 N ATOM 810 CA ALA A 52 -4.297 6.893 13.949 1.00 0.00 C ATOM 811 C ALA A 52 -3.498 5.837 13.192 1.00 0.00 C ATOM 812 O ALA A 52 -2.300 5.999 12.964 1.00 0.00 O ATOM 813 CB ALA A 52 -4.148 6.694 15.450 1.00 0.00 C ATOM 0 H ALA A 52 -6.348 6.723 14.353 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.900 7.872 13.682 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.092 6.724 15.718 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.678 7.487 15.977 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.567 5.728 15.732 1.00 0.00 H new ATOM 819 N GLU A 53 -4.170 4.757 12.807 1.00 0.00 N ATOM 820 CA GLU A 53 -3.520 3.674 12.077 1.00 0.00 C ATOM 821 C GLU A 53 -3.428 4.000 10.589 1.00 0.00 C ATOM 822 O GLU A 53 -2.462 3.633 9.920 1.00 0.00 O ATOM 823 CB GLU A 53 -4.284 2.364 12.277 1.00 0.00 C ATOM 824 CG GLU A 53 -4.221 1.833 13.699 1.00 0.00 C ATOM 825 CD GLU A 53 -4.364 0.325 13.766 1.00 0.00 C ATOM 826 OE1 GLU A 53 -5.513 -0.159 13.824 1.00 0.00 O ATOM 827 OE2 GLU A 53 -3.327 -0.370 13.761 1.00 0.00 O ATOM 0 H GLU A 53 -5.163 4.608 12.988 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.510 3.560 12.470 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.327 2.516 12.001 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.881 1.611 11.599 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.272 2.125 14.150 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.011 2.296 14.291 1.00 0.00 H new ATOM 834 N LYS A 54 -4.441 4.692 10.077 1.00 0.00 N ATOM 835 CA LYS A 54 -4.476 5.069 8.669 1.00 0.00 C ATOM 836 C LYS A 54 -3.765 6.399 8.444 1.00 0.00 C ATOM 837 O LYS A 54 -3.545 6.811 7.305 1.00 0.00 O ATOM 838 CB LYS A 54 -5.923 5.162 8.181 1.00 0.00 C ATOM 839 CG LYS A 54 -6.759 3.939 8.517 1.00 0.00 C ATOM 840 CD LYS A 54 -8.245 4.225 8.382 1.00 0.00 C ATOM 841 CE LYS A 54 -8.703 4.122 6.935 1.00 0.00 C ATOM 842 NZ LYS A 54 -10.030 4.766 6.726 1.00 0.00 N ATOM 0 H LYS A 54 -5.249 5.003 10.617 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.956 4.299 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.390 6.043 8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.924 5.307 7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.484 3.117 7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.541 3.616 9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.809 3.521 8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.461 5.223 8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.965 4.593 6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.759 3.073 6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.307 4.675 5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.740 4.300 7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.971 5.773 6.978 1.00 0.00 H new ATOM 856 N ARG A 55 -3.408 7.066 9.537 1.00 0.00 N ATOM 857 CA ARG A 55 -2.721 8.350 9.458 1.00 0.00 C ATOM 858 C ARG A 55 -1.460 8.241 8.607 1.00 0.00 C ATOM 859 O ARG A 55 -1.232 9.026 7.686 1.00 0.00 O ATOM 860 CB ARG A 55 -2.362 8.847 10.859 1.00 0.00 C ATOM 861 CG ARG A 55 -2.436 10.358 11.007 1.00 0.00 C ATOM 862 CD ARG A 55 -3.857 10.822 11.287 1.00 0.00 C ATOM 863 NE ARG A 55 -4.050 12.229 10.948 1.00 0.00 N ATOM 864 CZ ARG A 55 -3.688 13.232 11.741 1.00 0.00 C ATOM 865 NH1 ARG A 55 -3.117 12.983 12.912 1.00 0.00 N ATOM 866 NH2 ARG A 55 -3.897 14.487 11.363 1.00 0.00 N ATOM 0 H ARG A 55 -3.583 6.739 10.487 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.395 9.066 8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.035 8.386 11.582 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.353 8.515 11.106 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.781 10.678 11.818 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.070 10.832 10.096 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.557 10.212 10.715 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.087 10.668 12.341 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.486 12.454 10.054 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.955 12.020 13.206 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.840 13.755 13.519 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.336 14.682 10.463 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.619 15.256 11.972 1.00 0.00 H new ATOM 880 N PRO A 56 -0.619 7.244 8.920 1.00 0.00 N ATOM 881 CA PRO A 56 0.634 7.008 8.196 1.00 0.00 C ATOM 882 C PRO A 56 0.397 6.495 6.779 1.00 0.00 C ATOM 883 O PRO A 56 1.185 6.762 5.872 1.00 0.00 O ATOM 884 CB PRO A 56 1.337 5.942 9.040 1.00 0.00 C ATOM 885 CG PRO A 56 0.235 5.235 9.750 1.00 0.00 C ATOM 886 CD PRO A 56 -0.826 6.270 10.004 1.00 0.00 C ATOM 0 HA PRO A 56 1.212 7.924 8.074 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.910 5.256 8.415 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.037 6.392 9.744 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.156 4.416 9.146 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.589 4.801 10.685 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.826 5.837 9.970 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.711 6.731 10.985 1.00 0.00 H new ATOM 894 N PHE A 57 -0.693 5.757 6.597 1.00 0.00 N ATOM 895 CA PHE A 57 -1.033 5.206 5.290 1.00 0.00 C ATOM 896 C PHE A 57 -1.947 6.155 4.521 1.00 0.00 C ATOM 897 O PHE A 57 -2.214 5.953 3.336 1.00 0.00 O ATOM 898 CB PHE A 57 -1.710 3.843 5.449 1.00 0.00 C ATOM 899 CG PHE A 57 -0.967 2.906 6.358 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.281 2.421 6.003 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.517 2.511 7.567 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.968 1.559 6.838 1.00 0.00 C ATOM 903 CE2 PHE A 57 -0.835 1.650 8.405 1.00 0.00 C ATOM 904 CZ PHE A 57 0.409 1.172 8.040 1.00 0.00 C ATOM 0 H PHE A 57 -1.356 5.527 7.337 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.110 5.081 4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.718 3.990 5.837 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.811 3.380 4.467 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.722 2.719 5.064 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.489 2.880 7.857 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.941 1.189 6.550 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.274 1.351 9.345 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.943 0.497 8.693 1.00 0.00 H new ATOM 914 N VAL A 58 -2.426 7.189 5.205 1.00 0.00 N ATOM 915 CA VAL A 58 -3.310 8.170 4.587 1.00 0.00 C ATOM 916 C VAL A 58 -2.527 9.377 4.084 1.00 0.00 C ATOM 917 O VAL A 58 -2.870 9.970 3.062 1.00 0.00 O ATOM 918 CB VAL A 58 -4.393 8.649 5.572 1.00 0.00 C ATOM 919 CG1 VAL A 58 -5.003 9.960 5.100 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.465 7.584 5.744 1.00 0.00 C ATOM 0 H VAL A 58 -2.217 7.369 6.187 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.790 7.675 3.743 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.926 8.822 6.542 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.766 10.282 5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.225 10.720 5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.456 9.818 4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.222 7.939 6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.930 7.377 4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.012 6.672 6.132 1.00 0.00 H new ATOM 930 N GLU A 59 -1.472 9.736 4.810 1.00 0.00 N ATOM 931 CA GLU A 59 -0.639 10.873 4.437 1.00 0.00 C ATOM 932 C GLU A 59 0.324 10.497 3.315 1.00 0.00 C ATOM 933 O GLU A 59 0.953 11.363 2.708 1.00 0.00 O ATOM 934 CB GLU A 59 0.144 11.379 5.650 1.00 0.00 C ATOM 935 CG GLU A 59 -0.732 11.705 6.848 1.00 0.00 C ATOM 936 CD GLU A 59 -1.203 13.146 6.850 1.00 0.00 C ATOM 937 OE1 GLU A 59 -1.805 13.575 5.843 1.00 0.00 O ATOM 938 OE2 GLU A 59 -0.971 13.845 7.858 1.00 0.00 O ATOM 0 H GLU A 59 -1.175 9.256 5.659 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.293 11.668 4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.875 10.625 5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.702 12.271 5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.598 11.043 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.176 11.507 7.765 1.00 0.00 H new ATOM 945 N GLU A 60 0.435 9.199 3.048 1.00 0.00 N ATOM 946 CA GLU A 60 1.323 8.709 2.000 1.00 0.00 C ATOM 947 C GLU A 60 0.569 8.535 0.685 1.00 0.00 C ATOM 948 O GLU A 60 0.961 9.083 -0.344 1.00 0.00 O ATOM 949 CB GLU A 60 1.955 7.380 2.418 1.00 0.00 C ATOM 950 CG GLU A 60 2.587 6.617 1.266 1.00 0.00 C ATOM 951 CD GLU A 60 3.736 5.734 1.711 1.00 0.00 C ATOM 952 OE1 GLU A 60 4.376 6.064 2.732 1.00 0.00 O ATOM 953 OE2 GLU A 60 3.996 4.714 1.039 1.00 0.00 O ATOM 0 H GLU A 60 -0.078 8.469 3.542 1.00 0.00 H new ATOM 0 HA GLU A 60 2.111 9.448 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.715 7.571 3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.192 6.755 2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.828 6.002 0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.946 7.326 0.520 1.00 0.00 H new ATOM 960 N ALA A 61 -0.515 7.767 0.728 1.00 0.00 N ATOM 961 CA ALA A 61 -1.325 7.521 -0.458 1.00 0.00 C ATOM 962 C ALA A 61 -1.786 8.831 -1.089 1.00 0.00 C ATOM 963 O ALA A 61 -1.850 8.953 -2.311 1.00 0.00 O ATOM 964 CB ALA A 61 -2.522 6.650 -0.109 1.00 0.00 C ATOM 0 H ALA A 61 -0.852 7.304 1.572 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.708 6.995 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.118 6.475 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.175 5.696 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.133 7.154 0.640 1.00 0.00 H new ATOM 970 N GLU A 62 -2.108 9.807 -0.246 1.00 0.00 N ATOM 971 CA GLU A 62 -2.566 11.107 -0.722 1.00 0.00 C ATOM 972 C GLU A 62 -1.506 11.769 -1.598 1.00 0.00 C ATOM 973 O GLU A 62 -1.823 12.372 -2.624 1.00 0.00 O ATOM 974 CB GLU A 62 -2.907 12.017 0.460 1.00 0.00 C ATOM 975 CG GLU A 62 -3.191 13.455 0.059 1.00 0.00 C ATOM 976 CD GLU A 62 -4.164 14.141 0.998 1.00 0.00 C ATOM 977 OE1 GLU A 62 -5.119 13.478 1.453 1.00 0.00 O ATOM 978 OE2 GLU A 62 -3.969 15.342 1.280 1.00 0.00 O ATOM 0 H GLU A 62 -2.060 9.722 0.769 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.463 10.951 -1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.777 11.615 0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.079 12.003 1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.256 14.014 0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.595 13.473 -0.953 1.00 0.00 H new ATOM 985 N ARG A 63 -0.249 11.653 -1.186 1.00 0.00 N ATOM 986 CA ARG A 63 0.858 12.241 -1.931 1.00 0.00 C ATOM 987 C ARG A 63 1.017 11.566 -3.290 1.00 0.00 C ATOM 988 O ARG A 63 1.202 12.233 -4.309 1.00 0.00 O ATOM 989 CB ARG A 63 2.158 12.121 -1.135 1.00 0.00 C ATOM 990 CG ARG A 63 2.079 12.729 0.256 1.00 0.00 C ATOM 991 CD ARG A 63 3.275 12.333 1.107 1.00 0.00 C ATOM 992 NE ARG A 63 3.430 13.200 2.272 1.00 0.00 N ATOM 993 CZ ARG A 63 4.567 13.328 2.947 1.00 0.00 C ATOM 994 NH1 ARG A 63 5.643 12.648 2.574 1.00 0.00 N ATOM 995 NH2 ARG A 63 4.630 14.137 3.996 1.00 0.00 N ATOM 0 H ARG A 63 0.029 11.157 -0.339 1.00 0.00 H new ATOM 0 HA ARG A 63 0.635 13.296 -2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.424 11.068 -1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.960 12.608 -1.690 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.031 13.815 0.177 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.160 12.404 0.744 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.159 11.301 1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.180 12.375 0.501 1.00 0.00 H new ATOM 0 HE ARG A 63 2.621 13.737 2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.599 12.025 1.767 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.515 12.748 3.094 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.805 14.662 4.286 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.504 14.234 4.513 1.00 0.00 H new