USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 ASN :FLIP amide:sc= -3.25! C(o=-8.9!,f=-6.4!) USER MOD Set 1.2: A 41 MET CE :methyl -116:sc= -3.15! (180deg=-5.78!) USER MOD Single : A 12 MET CE :methyl 174:sc= -1.75! (180deg=-1.84!) USER MOD Single : A 13 ASN : amide:sc= -1.1! C(o=-1.1!,f=-4.3!) 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= -0.0153 K(o=-0.015,f=-0.8) USER MOD Single : A 29 GLN : amide:sc= -0.586 X(o=-0.59,f=-0.14) USER MOD Single : A 34 HIS : no HD1:sc= -6.76! C(o=-6.8!,f=-6.4!) USER MOD Single : A 35 ASN : amide:sc= -0.0369 K(o=-0.037,f=-1.5!) 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+ -118:sc= -0.0567 (180deg=-1.21) 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= -0.895 USER MOD Single : A 54 LYS NZ :NH3+ -150:sc=-0.000597 (180deg=-0.453) USER MOD ----------------------------------------------------------------- ATOM 147 N MET A 12 -2.006 4.831 -5.528 1.00 0.00 N ATOM 148 CA MET A 12 -2.674 4.012 -4.523 1.00 0.00 C ATOM 149 C MET A 12 -3.238 4.878 -3.402 1.00 0.00 C ATOM 150 O MET A 12 -2.716 5.953 -3.113 1.00 0.00 O ATOM 151 CB MET A 12 -1.701 2.981 -3.947 1.00 0.00 C ATOM 152 CG MET A 12 -0.622 2.549 -4.926 1.00 0.00 C ATOM 153 SD MET A 12 0.140 0.979 -4.473 1.00 0.00 S ATOM 154 CE MET A 12 0.794 1.375 -2.853 1.00 0.00 C ATOM 0 HA MET A 12 -3.501 3.491 -5.006 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.227 3.398 -3.058 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.262 2.103 -3.627 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.055 2.464 -5.923 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.147 3.320 -4.977 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.203 0.474 -2.395 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.582 2.122 -2.951 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.004 1.771 -2.225 1.00 0.00 H new ATOM 164 N ASN A 13 -4.309 4.402 -2.774 1.00 0.00 N ATOM 165 CA ASN A 13 -4.945 5.135 -1.685 1.00 0.00 C ATOM 166 C ASN A 13 -4.506 4.585 -0.331 1.00 0.00 C ATOM 167 O ASN A 13 -3.633 3.721 -0.254 1.00 0.00 O ATOM 168 CB ASN A 13 -6.468 5.057 -1.811 1.00 0.00 C ATOM 169 CG ASN A 13 -6.921 4.887 -3.248 1.00 0.00 C ATOM 170 OD1 ASN A 13 -6.192 5.217 -4.184 1.00 0.00 O ATOM 171 ND2 ASN A 13 -8.131 4.371 -3.430 1.00 0.00 N ATOM 0 H ASN A 13 -4.754 3.513 -3.000 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.635 6.178 -1.752 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.837 4.222 -1.215 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.911 5.963 -1.398 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.490 4.234 -4.375 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.701 4.112 -2.625 1.00 0.00 H new ATOM 178 N ALA A 14 -5.119 5.092 0.734 1.00 0.00 N ATOM 179 CA ALA A 14 -4.795 4.650 2.084 1.00 0.00 C ATOM 180 C ALA A 14 -4.933 3.137 2.215 1.00 0.00 C ATOM 181 O ALA A 14 -4.058 2.469 2.768 1.00 0.00 O ATOM 182 CB ALA A 14 -5.686 5.352 3.098 1.00 0.00 C ATOM 0 H ALA A 14 -5.843 5.809 0.687 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.757 4.913 2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.433 5.012 4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.535 6.429 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.730 5.118 2.888 1.00 0.00 H new ATOM 188 N PHE A 15 -6.036 2.601 1.703 1.00 0.00 N ATOM 189 CA PHE A 15 -6.288 1.166 1.764 1.00 0.00 C ATOM 190 C PHE A 15 -5.255 0.397 0.946 1.00 0.00 C ATOM 191 O PHE A 15 -4.645 -0.554 1.435 1.00 0.00 O ATOM 192 CB PHE A 15 -7.696 0.853 1.253 1.00 0.00 C ATOM 193 CG PHE A 15 -7.907 -0.599 0.931 1.00 0.00 C ATOM 194 CD1 PHE A 15 -7.596 -1.096 -0.324 1.00 0.00 C ATOM 195 CD2 PHE A 15 -8.417 -1.467 1.883 1.00 0.00 C ATOM 196 CE1 PHE A 15 -7.790 -2.431 -0.624 1.00 0.00 C ATOM 197 CE2 PHE A 15 -8.613 -2.803 1.590 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.298 -3.286 0.335 1.00 0.00 C ATOM 0 H PHE A 15 -6.770 3.139 1.241 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.208 0.852 2.805 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.423 1.160 2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.890 1.447 0.360 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.197 -0.432 -1.077 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.664 -1.095 2.866 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.545 -2.805 -1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -9.012 -3.469 2.341 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.449 -4.330 0.104 1.00 0.00 H new ATOM 208 N MET A 16 -5.066 0.815 -0.301 1.00 0.00 N ATOM 209 CA MET A 16 -4.107 0.166 -1.187 1.00 0.00 C ATOM 210 C MET A 16 -2.712 0.161 -0.568 1.00 0.00 C ATOM 211 O MET A 16 -2.085 -0.890 -0.434 1.00 0.00 O ATOM 212 CB MET A 16 -4.073 0.872 -2.543 1.00 0.00 C ATOM 213 CG MET A 16 -5.362 0.726 -3.337 1.00 0.00 C ATOM 214 SD MET A 16 -5.354 1.692 -4.859 1.00 0.00 S ATOM 215 CE MET A 16 -4.726 0.485 -6.023 1.00 0.00 C ATOM 0 H MET A 16 -5.564 1.600 -0.721 1.00 0.00 H new ATOM 0 HA MET A 16 -4.425 -0.866 -1.332 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.870 1.932 -2.387 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.247 0.473 -3.131 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.518 -0.325 -3.579 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.203 1.038 -2.718 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.663 0.934 -7.014 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.735 0.158 -5.709 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.397 -0.373 -6.055 1.00 0.00 H new ATOM 225 N VAL A 17 -2.232 1.343 -0.193 1.00 0.00 N ATOM 226 CA VAL A 17 -0.912 1.474 0.412 1.00 0.00 C ATOM 227 C VAL A 17 -0.733 0.488 1.560 1.00 0.00 C ATOM 228 O VAL A 17 0.057 -0.452 1.466 1.00 0.00 O ATOM 229 CB VAL A 17 -0.675 2.903 0.935 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.697 3.014 1.583 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.825 3.915 -0.191 1.00 0.00 C ATOM 0 H VAL A 17 -2.737 2.223 -0.298 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.183 1.254 -0.368 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.427 3.123 1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.847 4.031 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.762 2.317 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.466 2.774 0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.654 4.919 0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.097 3.700 -0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.831 3.852 -0.605 1.00 0.00 H new ATOM 241 N TRP A 18 -1.471 0.708 2.642 1.00 0.00 N ATOM 242 CA TRP A 18 -1.393 -0.163 3.809 1.00 0.00 C ATOM 243 C TRP A 18 -1.454 -1.631 3.399 1.00 0.00 C ATOM 244 O TRP A 18 -0.838 -2.487 4.032 1.00 0.00 O ATOM 245 CB TRP A 18 -2.529 0.154 4.783 1.00 0.00 C ATOM 246 CG TRP A 18 -2.875 -0.992 5.685 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.353 -1.251 6.920 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.820 -2.036 5.421 1.00 0.00 C ATOM 249 NE1 TRP A 18 -2.915 -2.392 7.440 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.819 -2.892 6.540 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.667 -2.329 4.350 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.631 -4.020 6.614 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.473 -3.449 4.425 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.451 -4.283 5.551 1.00 0.00 C ATOM 0 H TRP A 18 -2.130 1.481 2.736 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.438 0.017 4.303 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.247 1.014 5.391 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.415 0.441 4.216 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.607 -0.647 7.416 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.695 -2.800 8.348 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.692 -1.692 3.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.614 -4.665 7.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.131 -3.686 3.602 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.094 -5.150 5.580 1.00 0.00 H new ATOM 265 N ALA A 19 -2.199 -1.913 2.335 1.00 0.00 N ATOM 266 CA ALA A 19 -2.338 -3.277 1.840 1.00 0.00 C ATOM 267 C ALA A 19 -1.078 -3.724 1.105 1.00 0.00 C ATOM 268 O ALA A 19 -0.732 -4.906 1.108 1.00 0.00 O ATOM 269 CB ALA A 19 -3.550 -3.386 0.927 1.00 0.00 C ATOM 0 H ALA A 19 -2.715 -1.215 1.800 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.482 -3.936 2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.642 -4.410 0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.449 -3.115 1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.429 -2.711 0.080 1.00 0.00 H new ATOM 275 N LYS A 20 -0.397 -2.773 0.476 1.00 0.00 N ATOM 276 CA LYS A 20 0.825 -3.068 -0.263 1.00 0.00 C ATOM 277 C LYS A 20 1.667 -4.107 0.471 1.00 0.00 C ATOM 278 O LYS A 20 2.299 -4.960 -0.152 1.00 0.00 O ATOM 279 CB LYS A 20 1.641 -1.790 -0.472 1.00 0.00 C ATOM 280 CG LYS A 20 2.478 -1.399 0.733 1.00 0.00 C ATOM 281 CD LYS A 20 2.765 0.093 0.752 1.00 0.00 C ATOM 282 CE LYS A 20 3.833 0.468 -0.263 1.00 0.00 C ATOM 283 NZ LYS A 20 5.205 0.332 0.299 1.00 0.00 N ATOM 0 H LYS A 20 -0.671 -1.790 0.463 1.00 0.00 H new ATOM 0 HA LYS A 20 0.543 -3.474 -1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.298 -1.925 -1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.963 -0.972 -0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.956 -1.682 1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.418 -1.951 0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.849 0.644 0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.089 0.389 1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.737 -0.168 -1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.676 1.495 -0.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.904 0.597 -0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.306 0.957 1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.365 -0.654 0.590 1.00 0.00 H new ATOM 297 N ASP A 21 1.671 -4.029 1.797 1.00 0.00 N ATOM 298 CA ASP A 21 2.433 -4.964 2.616 1.00 0.00 C ATOM 299 C ASP A 21 1.567 -6.145 3.041 1.00 0.00 C ATOM 300 O ASP A 21 2.001 -7.296 2.989 1.00 0.00 O ATOM 301 CB ASP A 21 2.993 -4.255 3.851 1.00 0.00 C ATOM 302 CG ASP A 21 4.006 -5.103 4.595 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.845 -5.745 3.931 1.00 0.00 O ATOM 304 OD2 ASP A 21 3.958 -5.124 5.843 1.00 0.00 O ATOM 0 H ASP A 21 1.155 -3.327 2.328 1.00 0.00 H new ATOM 0 HA ASP A 21 3.262 -5.342 2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.460 -3.318 3.548 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.173 -4.000 4.523 1.00 0.00 H new ATOM 309 N GLU A 22 0.341 -5.852 3.463 1.00 0.00 N ATOM 310 CA GLU A 22 -0.585 -6.891 3.900 1.00 0.00 C ATOM 311 C GLU A 22 -0.830 -7.904 2.785 1.00 0.00 C ATOM 312 O GLU A 22 -0.577 -9.098 2.951 1.00 0.00 O ATOM 313 CB GLU A 22 -1.912 -6.270 4.340 1.00 0.00 C ATOM 314 CG GLU A 22 -1.770 -5.273 5.478 1.00 0.00 C ATOM 315 CD GLU A 22 -0.675 -5.655 6.455 1.00 0.00 C ATOM 316 OE1 GLU A 22 -0.759 -6.755 7.040 1.00 0.00 O ATOM 317 OE2 GLU A 22 0.266 -4.853 6.634 1.00 0.00 O ATOM 0 H GLU A 22 -0.034 -4.905 3.512 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.136 -7.410 4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.371 -5.771 3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.591 -7.065 4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.557 -4.286 5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.718 -5.198 6.011 1.00 0.00 H new ATOM 324 N ARG A 23 -1.325 -7.420 1.651 1.00 0.00 N ATOM 325 CA ARG A 23 -1.606 -8.282 0.510 1.00 0.00 C ATOM 326 C ARG A 23 -0.499 -9.316 0.324 1.00 0.00 C ATOM 327 O ARG A 23 -0.767 -10.497 0.105 1.00 0.00 O ATOM 328 CB ARG A 23 -1.758 -7.447 -0.763 1.00 0.00 C ATOM 329 CG ARG A 23 -2.360 -8.216 -1.927 1.00 0.00 C ATOM 330 CD ARG A 23 -2.107 -7.511 -3.251 1.00 0.00 C ATOM 331 NE ARG A 23 -2.439 -8.356 -4.394 1.00 0.00 N ATOM 332 CZ ARG A 23 -2.201 -8.014 -5.655 1.00 0.00 C ATOM 333 NH1 ARG A 23 -1.632 -6.849 -5.933 1.00 0.00 N ATOM 334 NH2 ARG A 23 -2.532 -8.838 -6.641 1.00 0.00 N ATOM 0 H ARG A 23 -1.540 -6.435 1.498 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.541 -8.807 0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.385 -6.582 -0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.780 -7.067 -1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.935 -9.219 -1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.433 -8.330 -1.773 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.698 -6.596 -3.293 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.059 -7.217 -3.310 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.878 -9.259 -4.214 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.376 -6.213 -5.178 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.450 -6.589 -6.902 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.970 -9.735 -6.431 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.349 -8.574 -7.609 1.00 0.00 H new ATOM 348 N LYS A 24 0.747 -8.862 0.411 1.00 0.00 N ATOM 349 CA LYS A 24 1.896 -9.746 0.253 1.00 0.00 C ATOM 350 C LYS A 24 1.734 -11.005 1.097 1.00 0.00 C ATOM 351 O LYS A 24 2.058 -12.107 0.654 1.00 0.00 O ATOM 352 CB LYS A 24 3.184 -9.018 0.645 1.00 0.00 C ATOM 353 CG LYS A 24 3.403 -7.719 -0.111 1.00 0.00 C ATOM 354 CD LYS A 24 4.093 -7.959 -1.443 1.00 0.00 C ATOM 355 CE LYS A 24 5.539 -8.390 -1.251 1.00 0.00 C ATOM 356 NZ LYS A 24 6.319 -8.294 -2.517 1.00 0.00 N ATOM 0 H LYS A 24 0.987 -7.887 0.590 1.00 0.00 H new ATOM 0 HA LYS A 24 1.956 -10.038 -0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.161 -8.807 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.033 -9.679 0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.444 -7.229 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.005 -7.041 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.554 -8.726 -2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.060 -7.048 -2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.006 -7.766 -0.489 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.567 -9.416 -0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.299 -8.596 -2.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.889 -8.909 -3.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.314 -7.310 -2.854 1.00 0.00 H new ATOM 370 N ARG A 25 1.231 -10.835 2.315 1.00 0.00 N ATOM 371 CA ARG A 25 1.026 -11.958 3.222 1.00 0.00 C ATOM 372 C ARG A 25 -0.146 -12.821 2.762 1.00 0.00 C ATOM 373 O ARG A 25 -0.204 -14.016 3.055 1.00 0.00 O ATOM 374 CB ARG A 25 0.775 -11.454 4.644 1.00 0.00 C ATOM 375 CG ARG A 25 -0.693 -11.211 4.954 1.00 0.00 C ATOM 376 CD ARG A 25 -0.870 -10.100 5.977 1.00 0.00 C ATOM 377 NE ARG A 25 -2.096 -10.261 6.754 1.00 0.00 N ATOM 378 CZ ARG A 25 -3.284 -9.824 6.350 1.00 0.00 C ATOM 379 NH1 ARG A 25 -3.406 -9.204 5.185 1.00 0.00 N ATOM 380 NH2 ARG A 25 -4.354 -10.009 7.113 1.00 0.00 N ATOM 0 H ARG A 25 0.958 -9.930 2.697 1.00 0.00 H new ATOM 0 HA ARG A 25 1.929 -12.568 3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.172 -12.180 5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.328 -10.527 4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.221 -10.950 4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.143 -12.129 5.331 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.013 -10.088 6.651 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.888 -9.137 5.467 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.037 -10.734 7.656 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.586 -9.061 4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.320 -8.870 4.878 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.264 -10.487 8.010 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.266 -9.673 6.803 1.00 0.00 H new ATOM 394 N LEU A 26 -1.079 -12.207 2.041 1.00 0.00 N ATOM 395 CA LEU A 26 -2.250 -12.918 1.541 1.00 0.00 C ATOM 396 C LEU A 26 -1.869 -13.867 0.410 1.00 0.00 C ATOM 397 O LEU A 26 -2.318 -15.012 0.369 1.00 0.00 O ATOM 398 CB LEU A 26 -3.305 -11.924 1.054 1.00 0.00 C ATOM 399 CG LEU A 26 -3.816 -10.925 2.093 1.00 0.00 C ATOM 400 CD1 LEU A 26 -5.062 -10.216 1.585 1.00 0.00 C ATOM 401 CD2 LEU A 26 -4.100 -11.626 3.413 1.00 0.00 C ATOM 0 H LEU A 26 -1.047 -11.219 1.790 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.664 -13.506 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.889 -11.365 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.156 -12.487 0.671 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.041 -10.177 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.411 -9.509 2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.826 -9.680 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.843 -10.950 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.463 -10.899 4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.857 -12.396 3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.184 -12.086 3.785 1.00 0.00 H new ATOM 413 N ALA A 27 -1.036 -13.384 -0.506 1.00 0.00 N ATOM 414 CA ALA A 27 -0.591 -14.190 -1.636 1.00 0.00 C ATOM 415 C ALA A 27 0.099 -15.465 -1.162 1.00 0.00 C ATOM 416 O ALA A 27 -0.212 -16.560 -1.631 1.00 0.00 O ATOM 417 CB ALA A 27 0.343 -13.382 -2.526 1.00 0.00 C ATOM 0 H ALA A 27 -0.656 -12.438 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.469 -14.476 -2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.667 -13.997 -3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.182 -12.503 -2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.213 -13.067 -1.950 1.00 0.00 H new ATOM 423 N GLN A 28 1.036 -15.315 -0.231 1.00 0.00 N ATOM 424 CA GLN A 28 1.770 -16.455 0.304 1.00 0.00 C ATOM 425 C GLN A 28 0.845 -17.377 1.093 1.00 0.00 C ATOM 426 O GLN A 28 0.985 -18.598 1.047 1.00 0.00 O ATOM 427 CB GLN A 28 2.916 -15.978 1.197 1.00 0.00 C ATOM 428 CG GLN A 28 2.462 -15.100 2.353 1.00 0.00 C ATOM 429 CD GLN A 28 3.411 -15.152 3.533 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.554 -15.594 3.407 1.00 0.00 O ATOM 431 NE2 GLN A 28 2.943 -14.700 4.690 1.00 0.00 N ATOM 0 H GLN A 28 1.304 -14.415 0.168 1.00 0.00 H new ATOM 0 HA GLN A 28 2.182 -17.015 -0.535 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.441 -16.846 1.595 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.632 -15.424 0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.373 -14.070 2.008 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.470 -15.415 2.676 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.990 -14.342 4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.537 -14.710 5.519 1.00 0.00 H new ATOM 440 N GLN A 29 -0.099 -16.782 1.815 1.00 0.00 N ATOM 441 CA GLN A 29 -1.046 -17.550 2.614 1.00 0.00 C ATOM 442 C GLN A 29 -2.026 -18.305 1.722 1.00 0.00 C ATOM 443 O GLN A 29 -2.484 -19.393 2.068 1.00 0.00 O ATOM 444 CB GLN A 29 -1.812 -16.626 3.564 1.00 0.00 C ATOM 445 CG GLN A 29 -1.141 -16.455 4.917 1.00 0.00 C ATOM 446 CD GLN A 29 -1.950 -15.589 5.863 1.00 0.00 C ATOM 447 OE1 GLN A 29 -2.363 -16.038 6.933 1.00 0.00 O ATOM 448 NE2 GLN A 29 -2.180 -14.341 5.474 1.00 0.00 N ATOM 0 H GLN A 29 -0.228 -15.771 1.863 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.482 -18.276 3.200 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.922 -15.648 3.096 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.816 -17.023 3.713 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.987 -17.435 5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.156 -16.011 4.776 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.819 -14.011 4.579 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.718 -13.712 6.070 1.00 0.00 H new ATOM 457 N ASN A 30 -2.342 -17.720 0.571 1.00 0.00 N ATOM 458 CA ASN A 30 -3.268 -18.338 -0.372 1.00 0.00 C ATOM 459 C ASN A 30 -2.705 -18.304 -1.789 1.00 0.00 C ATOM 460 O ASN A 30 -3.012 -17.416 -2.585 1.00 0.00 O ATOM 461 CB ASN A 30 -4.621 -17.625 -0.331 1.00 0.00 C ATOM 462 CG ASN A 30 -5.259 -17.673 1.044 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.439 -16.507 1.654 1.00 0.00 O flip ATOM 464 ND2 ASN A 30 -5.586 -18.746 1.551 1.00 0.00 N flip ATOM 0 H ASN A 30 -1.971 -16.819 0.269 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.404 -19.379 -0.080 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.490 -16.585 -0.632 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.293 -18.084 -1.056 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.429 -19.618 1.046 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.014 -18.763 2.477 1.00 0.00 H new ATOM 471 N PRO A 31 -1.860 -19.294 -2.114 1.00 0.00 N ATOM 472 CA PRO A 31 -1.237 -19.401 -3.437 1.00 0.00 C ATOM 473 C PRO A 31 -2.242 -19.769 -4.523 1.00 0.00 C ATOM 474 O PRO A 31 -1.911 -19.786 -5.709 1.00 0.00 O ATOM 475 CB PRO A 31 -0.211 -20.522 -3.256 1.00 0.00 C ATOM 476 CG PRO A 31 -0.742 -21.345 -2.134 1.00 0.00 C ATOM 477 CD PRO A 31 -1.449 -20.386 -1.216 1.00 0.00 C ATOM 0 HA PRO A 31 -0.803 -18.455 -3.761 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.106 -21.113 -4.166 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.775 -20.122 -3.021 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.426 -22.110 -2.501 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.064 -21.861 -1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.307 -20.852 -0.731 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.791 -20.029 -0.424 1.00 0.00 H new ATOM 485 N ASP A 32 -3.470 -20.063 -4.111 1.00 0.00 N ATOM 486 CA ASP A 32 -4.525 -20.430 -5.050 1.00 0.00 C ATOM 487 C ASP A 32 -5.545 -19.304 -5.188 1.00 0.00 C ATOM 488 O ASP A 32 -6.330 -19.276 -6.137 1.00 0.00 O ATOM 489 CB ASP A 32 -5.221 -21.712 -4.592 1.00 0.00 C ATOM 490 CG ASP A 32 -4.571 -22.958 -5.160 1.00 0.00 C ATOM 491 OD1 ASP A 32 -3.462 -23.308 -4.705 1.00 0.00 O ATOM 492 OD2 ASP A 32 -5.170 -23.584 -6.059 1.00 0.00 O ATOM 0 H ASP A 32 -3.760 -20.055 -3.133 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.067 -20.603 -6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.205 -21.762 -3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.268 -21.682 -4.894 1.00 0.00 H new ATOM 497 N LEU A 33 -5.528 -18.378 -4.236 1.00 0.00 N ATOM 498 CA LEU A 33 -6.453 -17.249 -4.250 1.00 0.00 C ATOM 499 C LEU A 33 -5.881 -16.087 -5.056 1.00 0.00 C ATOM 500 O LEU A 33 -4.665 -15.905 -5.126 1.00 0.00 O ATOM 501 CB LEU A 33 -6.755 -16.794 -2.822 1.00 0.00 C ATOM 502 CG LEU A 33 -7.608 -17.745 -1.981 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.947 -17.113 -0.639 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.877 -18.125 -2.729 1.00 0.00 C ATOM 0 H LEU A 33 -4.884 -18.386 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.379 -17.575 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.809 -16.633 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.260 -15.829 -2.869 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.033 -18.652 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.554 -17.804 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.027 -16.892 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.503 -16.190 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.472 -18.802 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.456 -17.227 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.614 -18.619 -3.664 1.00 0.00 H new ATOM 516 N HIS A 34 -6.765 -15.302 -5.662 1.00 0.00 N ATOM 517 CA HIS A 34 -6.349 -14.155 -6.461 1.00 0.00 C ATOM 518 C HIS A 34 -6.733 -12.847 -5.775 1.00 0.00 C ATOM 519 O HIS A 34 -7.456 -12.846 -4.780 1.00 0.00 O ATOM 520 CB HIS A 34 -6.979 -14.219 -7.852 1.00 0.00 C ATOM 521 CG HIS A 34 -8.471 -14.348 -7.828 1.00 0.00 C ATOM 522 ND1 HIS A 34 -9.323 -13.281 -8.023 1.00 0.00 N ATOM 523 CD2 HIS A 34 -9.263 -15.428 -7.632 1.00 0.00 C ATOM 524 CE1 HIS A 34 -10.573 -13.699 -7.946 1.00 0.00 C ATOM 525 NE2 HIS A 34 -10.565 -14.999 -7.710 1.00 0.00 N ATOM 0 H HIS A 34 -7.775 -15.439 -5.615 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.264 -14.188 -6.561 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.709 -13.320 -8.406 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.558 -15.066 -8.394 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.932 -16.440 -7.448 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.453 -13.083 -8.057 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.391 -15.588 -7.603 1.00 0.00 H new ATOM 534 N ASN A 35 -6.242 -11.735 -6.315 1.00 0.00 N ATOM 535 CA ASN A 35 -6.533 -10.421 -5.754 1.00 0.00 C ATOM 536 C ASN A 35 -7.968 -10.355 -5.238 1.00 0.00 C ATOM 537 O ASN A 35 -8.201 -10.288 -4.031 1.00 0.00 O ATOM 538 CB ASN A 35 -6.308 -9.333 -6.806 1.00 0.00 C ATOM 539 CG ASN A 35 -6.169 -7.954 -6.191 1.00 0.00 C ATOM 540 OD1 ASN A 35 -5.787 -7.816 -5.029 1.00 0.00 O ATOM 541 ND2 ASN A 35 -6.479 -6.925 -6.971 1.00 0.00 N ATOM 0 H ASN A 35 -5.642 -11.718 -7.139 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.856 -10.253 -4.916 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.410 -9.565 -7.378 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.142 -9.332 -7.508 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.405 -5.973 -6.613 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.791 -7.087 -7.928 1.00 0.00 H new ATOM 548 N ALA A 36 -8.924 -10.374 -6.160 1.00 0.00 N ATOM 549 CA ALA A 36 -10.335 -10.320 -5.799 1.00 0.00 C ATOM 550 C ALA A 36 -10.594 -11.048 -4.485 1.00 0.00 C ATOM 551 O ALA A 36 -11.431 -10.628 -3.686 1.00 0.00 O ATOM 552 CB ALA A 36 -11.188 -10.913 -6.910 1.00 0.00 C ATOM 0 H ALA A 36 -8.747 -10.426 -7.163 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.610 -9.274 -5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.239 -10.866 -6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.034 -10.347 -7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.902 -11.952 -7.073 1.00 0.00 H new ATOM 558 N GLU A 37 -9.871 -12.143 -4.268 1.00 0.00 N ATOM 559 CA GLU A 37 -10.025 -12.930 -3.050 1.00 0.00 C ATOM 560 C GLU A 37 -9.230 -12.316 -1.901 1.00 0.00 C ATOM 561 O GLU A 37 -9.715 -12.230 -0.772 1.00 0.00 O ATOM 562 CB GLU A 37 -9.569 -14.372 -3.288 1.00 0.00 C ATOM 563 CG GLU A 37 -10.359 -15.089 -4.369 1.00 0.00 C ATOM 564 CD GLU A 37 -11.779 -15.404 -3.943 1.00 0.00 C ATOM 565 OE1 GLU A 37 -12.040 -15.429 -2.722 1.00 0.00 O ATOM 566 OE2 GLU A 37 -12.630 -15.626 -4.829 1.00 0.00 O ATOM 0 H GLU A 37 -9.174 -12.504 -4.919 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.081 -12.930 -2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.514 -14.370 -3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.656 -14.930 -2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.382 -14.471 -5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.849 -16.016 -4.632 1.00 0.00 H new ATOM 573 N LEU A 38 -8.006 -11.893 -2.197 1.00 0.00 N ATOM 574 CA LEU A 38 -7.142 -11.287 -1.189 1.00 0.00 C ATOM 575 C LEU A 38 -7.772 -10.019 -0.622 1.00 0.00 C ATOM 576 O LEU A 38 -7.743 -9.786 0.586 1.00 0.00 O ATOM 577 CB LEU A 38 -5.773 -10.965 -1.790 1.00 0.00 C ATOM 578 CG LEU A 38 -5.168 -12.039 -2.695 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.746 -11.668 -3.087 1.00 0.00 C ATOM 580 CD2 LEU A 38 -5.196 -13.396 -2.005 1.00 0.00 C ATOM 0 H LEU A 38 -7.589 -11.958 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.016 -12.002 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.858 -10.041 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.077 -10.771 -0.974 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.768 -12.102 -3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.332 -12.444 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.752 -10.718 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.134 -11.576 -2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.762 -14.148 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.620 -13.346 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.227 -13.666 -1.776 1.00 0.00 H new ATOM 592 N SER A 39 -8.344 -9.204 -1.503 1.00 0.00 N ATOM 593 CA SER A 39 -8.980 -7.958 -1.091 1.00 0.00 C ATOM 594 C SER A 39 -9.830 -8.170 0.158 1.00 0.00 C ATOM 595 O SER A 39 -9.537 -7.626 1.223 1.00 0.00 O ATOM 596 CB SER A 39 -9.847 -7.405 -2.224 1.00 0.00 C ATOM 597 OG SER A 39 -9.813 -5.988 -2.247 1.00 0.00 O ATOM 0 H SER A 39 -8.380 -9.384 -2.506 1.00 0.00 H new ATOM 0 HA SER A 39 -8.196 -7.238 -0.858 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.496 -7.796 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.875 -7.745 -2.099 1.00 0.00 H new ATOM 0 HG SER A 39 -10.373 -5.659 -2.981 1.00 0.00 H new ATOM 603 N LYS A 40 -10.886 -8.965 0.019 1.00 0.00 N ATOM 604 CA LYS A 40 -11.780 -9.251 1.135 1.00 0.00 C ATOM 605 C LYS A 40 -11.010 -9.301 2.451 1.00 0.00 C ATOM 606 O LYS A 40 -11.477 -8.801 3.473 1.00 0.00 O ATOM 607 CB LYS A 40 -12.505 -10.579 0.906 1.00 0.00 C ATOM 608 CG LYS A 40 -13.013 -10.758 -0.514 1.00 0.00 C ATOM 609 CD LYS A 40 -14.342 -11.493 -0.543 1.00 0.00 C ATOM 610 CE LYS A 40 -14.499 -12.310 -1.816 1.00 0.00 C ATOM 611 NZ LYS A 40 -15.633 -13.272 -1.722 1.00 0.00 N ATOM 0 H LYS A 40 -11.143 -9.423 -0.855 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.514 -8.448 1.195 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.828 -11.399 1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -13.347 -10.647 1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.126 -9.782 -0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.277 -11.312 -1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.415 -12.150 0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.158 -10.774 -0.467 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.661 -11.640 -2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.576 -12.855 -2.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.707 -13.810 -2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -15.467 -13.928 -0.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.518 -12.751 -1.559 1.00 0.00 H new ATOM 625 N MET A 41 -9.827 -9.905 2.416 1.00 0.00 N ATOM 626 CA MET A 41 -8.991 -10.017 3.606 1.00 0.00 C ATOM 627 C MET A 41 -8.404 -8.661 3.987 1.00 0.00 C ATOM 628 O MET A 41 -8.412 -8.278 5.158 1.00 0.00 O ATOM 629 CB MET A 41 -7.865 -11.025 3.371 1.00 0.00 C ATOM 630 CG MET A 41 -8.358 -12.406 2.972 1.00 0.00 C ATOM 631 SD MET A 41 -7.026 -13.615 2.860 1.00 0.00 S ATOM 632 CE MET A 41 -7.031 -13.963 1.103 1.00 0.00 C ATOM 0 H MET A 41 -9.426 -10.324 1.577 1.00 0.00 H new ATOM 0 HA MET A 41 -9.616 -10.367 4.428 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.205 -10.645 2.591 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.269 -11.110 4.280 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.094 -12.749 3.699 1.00 0.00 H new ATOM 0 HG3 MET A 41 -8.867 -12.342 2.010 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.300 -15.006 0.940 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.757 -13.319 0.607 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.039 -13.776 0.692 1.00 0.00 H new ATOM 642 N LEU A 42 -7.897 -7.940 2.994 1.00 0.00 N ATOM 643 CA LEU A 42 -7.306 -6.627 3.226 1.00 0.00 C ATOM 644 C LEU A 42 -8.353 -5.640 3.731 1.00 0.00 C ATOM 645 O LEU A 42 -8.026 -4.656 4.393 1.00 0.00 O ATOM 646 CB LEU A 42 -6.669 -6.098 1.939 1.00 0.00 C ATOM 647 CG LEU A 42 -5.582 -6.977 1.318 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.286 -6.533 -0.106 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.317 -6.938 2.164 1.00 0.00 C ATOM 0 H LEU A 42 -7.883 -8.242 2.020 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.535 -6.733 3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.457 -5.953 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.241 -5.117 2.146 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.945 -8.004 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.510 -7.170 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.191 -6.613 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.944 -5.498 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.554 -7.569 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.951 -5.913 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.538 -7.304 3.166 1.00 0.00 H new ATOM 661 N GLY A 43 -9.616 -5.911 3.415 1.00 0.00 N ATOM 662 CA GLY A 43 -10.693 -5.039 3.847 1.00 0.00 C ATOM 663 C GLY A 43 -11.019 -5.206 5.317 1.00 0.00 C ATOM 664 O GLY A 43 -11.001 -4.239 6.079 1.00 0.00 O ATOM 0 H GLY A 43 -9.912 -6.719 2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.416 -4.002 3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.584 -5.246 3.254 1.00 0.00 H new ATOM 668 N LYS A 44 -11.322 -6.436 5.719 1.00 0.00 N ATOM 669 CA LYS A 44 -11.655 -6.728 7.108 1.00 0.00 C ATOM 670 C LYS A 44 -10.600 -6.159 8.052 1.00 0.00 C ATOM 671 O LYS A 44 -10.925 -5.631 9.115 1.00 0.00 O ATOM 672 CB LYS A 44 -11.780 -8.239 7.317 1.00 0.00 C ATOM 673 CG LYS A 44 -10.508 -9.005 6.999 1.00 0.00 C ATOM 674 CD LYS A 44 -10.598 -10.450 7.457 1.00 0.00 C ATOM 675 CE LYS A 44 -11.459 -11.281 6.518 1.00 0.00 C ATOM 676 NZ LYS A 44 -12.897 -11.241 6.904 1.00 0.00 N ATOM 0 H LYS A 44 -11.344 -7.247 5.101 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.611 -6.256 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.061 -8.432 8.352 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.588 -8.618 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.322 -8.974 5.925 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.660 -8.521 7.484 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.597 -10.879 7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.015 -10.488 8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.346 -10.911 5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.110 -12.314 6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.218 -12.200 7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.018 -10.617 7.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.460 -10.878 6.109 1.00 0.00 H new ATOM 690 N SER A 45 -9.336 -6.269 7.655 1.00 0.00 N ATOM 691 CA SER A 45 -8.234 -5.767 8.467 1.00 0.00 C ATOM 692 C SER A 45 -8.146 -4.246 8.383 1.00 0.00 C ATOM 693 O SER A 45 -7.752 -3.583 9.342 1.00 0.00 O ATOM 694 CB SER A 45 -6.913 -6.392 8.013 1.00 0.00 C ATOM 695 OG SER A 45 -6.723 -7.666 8.602 1.00 0.00 O ATOM 0 H SER A 45 -9.050 -6.701 6.776 1.00 0.00 H new ATOM 0 HA SER A 45 -8.422 -6.046 9.504 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.905 -6.485 6.927 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.085 -5.736 8.282 1.00 0.00 H new ATOM 0 HG SER A 45 -5.873 -8.045 8.295 1.00 0.00 H new ATOM 701 N TRP A 46 -8.515 -3.702 7.230 1.00 0.00 N ATOM 702 CA TRP A 46 -8.478 -2.259 7.020 1.00 0.00 C ATOM 703 C TRP A 46 -9.516 -1.556 7.888 1.00 0.00 C ATOM 704 O TRP A 46 -9.171 -0.849 8.836 1.00 0.00 O ATOM 705 CB TRP A 46 -8.722 -1.931 5.546 1.00 0.00 C ATOM 706 CG TRP A 46 -8.654 -0.464 5.244 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.670 0.327 4.791 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.508 0.384 5.373 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.224 1.617 4.630 1.00 0.00 N ATOM 710 CE2 TRP A 46 -7.902 1.679 4.981 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.188 0.177 5.784 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -7.022 2.758 4.987 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.316 1.250 5.789 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.736 2.527 5.394 1.00 0.00 C ATOM 0 H TRP A 46 -8.843 -4.237 6.426 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.489 -1.901 7.306 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -7.984 -2.454 4.938 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.702 -2.310 5.254 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.676 -0.011 4.589 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.787 2.402 4.302 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.855 -0.803 6.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.343 3.743 4.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.293 1.101 6.103 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.031 3.345 5.411 1.00 0.00 H new ATOM 725 N LYS A 47 -10.788 -1.753 7.560 1.00 0.00 N ATOM 726 CA LYS A 47 -11.877 -1.139 8.310 1.00 0.00 C ATOM 727 C LYS A 47 -11.619 -1.225 9.811 1.00 0.00 C ATOM 728 O LYS A 47 -11.948 -0.306 10.561 1.00 0.00 O ATOM 729 CB LYS A 47 -13.205 -1.819 7.971 1.00 0.00 C ATOM 730 CG LYS A 47 -13.941 -1.171 6.811 1.00 0.00 C ATOM 731 CD LYS A 47 -15.024 -2.083 6.259 1.00 0.00 C ATOM 732 CE LYS A 47 -14.432 -3.206 5.420 1.00 0.00 C ATOM 733 NZ LYS A 47 -15.489 -4.016 4.754 1.00 0.00 N ATOM 0 H LYS A 47 -11.091 -2.334 6.778 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.932 -0.088 8.027 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.017 -2.866 7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.847 -1.804 8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.387 -0.233 7.141 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.232 -0.926 6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.599 -2.507 7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.717 -1.501 5.652 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.768 -2.784 4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.825 -3.852 6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.046 -4.771 4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.108 -4.439 5.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.053 -3.405 4.129 1.00 0.00 H new ATOM 747 N ALA A 48 -11.027 -2.334 10.243 1.00 0.00 N ATOM 748 CA ALA A 48 -10.721 -2.537 11.654 1.00 0.00 C ATOM 749 C ALA A 48 -9.746 -1.481 12.162 1.00 0.00 C ATOM 750 O ALA A 48 -9.872 -0.994 13.287 1.00 0.00 O ATOM 751 CB ALA A 48 -10.155 -3.932 11.875 1.00 0.00 C ATOM 0 H ALA A 48 -10.750 -3.105 9.636 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.648 -2.439 12.220 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.931 -4.070 12.933 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.886 -4.676 11.559 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.242 -4.051 11.292 1.00 0.00 H new ATOM 757 N LEU A 49 -8.773 -1.131 11.328 1.00 0.00 N ATOM 758 CA LEU A 49 -7.774 -0.133 11.694 1.00 0.00 C ATOM 759 C LEU A 49 -8.439 1.178 12.103 1.00 0.00 C ATOM 760 O LEU A 49 -9.539 1.497 11.651 1.00 0.00 O ATOM 761 CB LEU A 49 -6.816 0.110 10.526 1.00 0.00 C ATOM 762 CG LEU A 49 -5.875 -1.044 10.178 1.00 0.00 C ATOM 763 CD1 LEU A 49 -5.128 -0.752 8.886 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.898 -1.297 11.317 1.00 0.00 C ATOM 0 H LEU A 49 -8.655 -1.523 10.394 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.210 -0.514 12.545 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.407 0.350 9.642 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.212 0.988 10.754 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.472 -1.944 10.032 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.463 -1.584 8.654 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.843 -0.622 8.074 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.542 0.159 9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.236 -2.121 11.052 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.306 -0.399 11.495 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.451 -1.552 12.221 1.00 0.00 H new ATOM 776 N THR A 50 -7.762 1.937 12.960 1.00 0.00 N ATOM 777 CA THR A 50 -8.286 3.213 13.429 1.00 0.00 C ATOM 778 C THR A 50 -7.610 4.380 12.718 1.00 0.00 C ATOM 779 O THR A 50 -6.570 4.212 12.078 1.00 0.00 O ATOM 780 CB THR A 50 -8.096 3.374 14.949 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.746 3.754 15.237 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.430 2.080 15.675 1.00 0.00 C ATOM 0 H THR A 50 -6.850 1.689 13.343 1.00 0.00 H new ATOM 0 HA THR A 50 -9.352 3.220 13.201 1.00 0.00 H new ATOM 0 HB THR A 50 -8.774 4.153 15.297 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.634 3.856 16.205 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.289 2.217 16.747 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.467 1.809 15.478 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.774 1.285 15.321 1.00 0.00 H new ATOM 790 N LEU A 51 -8.205 5.562 12.833 1.00 0.00 N ATOM 791 CA LEU A 51 -7.659 6.758 12.201 1.00 0.00 C ATOM 792 C LEU A 51 -6.145 6.822 12.373 1.00 0.00 C ATOM 793 O LEU A 51 -5.399 6.840 11.395 1.00 0.00 O ATOM 794 CB LEU A 51 -8.305 8.012 12.793 1.00 0.00 C ATOM 795 CG LEU A 51 -7.889 9.342 12.164 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.570 9.821 12.750 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.785 9.207 10.652 1.00 0.00 C ATOM 0 H LEU A 51 -9.066 5.718 13.358 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.883 6.710 11.135 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.387 7.915 12.706 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.073 8.048 13.857 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.654 10.084 12.391 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.290 10.769 12.290 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.678 9.958 13.826 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.795 9.080 12.555 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.488 10.163 10.221 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.040 8.450 10.405 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.752 8.911 10.246 1.00 0.00 H new ATOM 809 N ALA A 52 -5.698 6.855 13.625 1.00 0.00 N ATOM 810 CA ALA A 52 -4.273 6.912 13.926 1.00 0.00 C ATOM 811 C ALA A 52 -3.497 5.882 13.111 1.00 0.00 C ATOM 812 O ALA A 52 -2.356 6.121 12.717 1.00 0.00 O ATOM 813 CB ALA A 52 -4.038 6.696 15.413 1.00 0.00 C ATOM 0 H ALA A 52 -6.303 6.843 14.446 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.909 7.902 13.652 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.969 6.741 15.623 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.552 7.473 15.979 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.424 5.719 15.704 1.00 0.00 H new ATOM 819 N GLU A 53 -4.125 4.737 12.864 1.00 0.00 N ATOM 820 CA GLU A 53 -3.492 3.670 12.097 1.00 0.00 C ATOM 821 C GLU A 53 -3.422 4.031 10.616 1.00 0.00 C ATOM 822 O GLU A 53 -2.454 3.704 9.930 1.00 0.00 O ATOM 823 CB GLU A 53 -4.258 2.358 12.278 1.00 0.00 C ATOM 824 CG GLU A 53 -4.401 1.931 13.729 1.00 0.00 C ATOM 825 CD GLU A 53 -4.585 0.434 13.882 1.00 0.00 C ATOM 826 OE1 GLU A 53 -3.577 -0.299 13.802 1.00 0.00 O ATOM 827 OE2 GLU A 53 -5.737 -0.004 14.081 1.00 0.00 O ATOM 0 H GLU A 53 -5.070 4.524 13.183 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.476 3.544 12.470 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.250 2.463 11.840 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.747 1.570 11.725 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.516 2.243 14.284 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.254 2.445 14.173 1.00 0.00 H new ATOM 834 N LYS A 54 -4.457 4.708 10.129 1.00 0.00 N ATOM 835 CA LYS A 54 -4.516 5.116 8.731 1.00 0.00 C ATOM 836 C LYS A 54 -3.783 6.436 8.518 1.00 0.00 C ATOM 837 O LYS A 54 -3.559 6.857 7.383 1.00 0.00 O ATOM 838 CB LYS A 54 -5.971 5.249 8.278 1.00 0.00 C ATOM 839 CG LYS A 54 -6.819 4.027 8.586 1.00 0.00 C ATOM 840 CD LYS A 54 -8.281 4.263 8.248 1.00 0.00 C ATOM 841 CE LYS A 54 -8.987 2.964 7.890 1.00 0.00 C ATOM 842 NZ LYS A 54 -9.571 2.301 9.089 1.00 0.00 N ATOM 0 H LYS A 54 -5.267 4.986 10.683 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.025 4.348 8.133 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.415 6.120 8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.993 5.434 7.204 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.447 3.173 8.020 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.725 3.775 9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.781 4.728 9.097 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.355 4.960 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.777 3.167 7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.281 2.287 7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.579 1.271 8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.998 2.530 9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.544 2.639 9.233 1.00 0.00 H new ATOM 856 N ARG A 55 -3.411 7.085 9.616 1.00 0.00 N ATOM 857 CA ARG A 55 -2.703 8.358 9.549 1.00 0.00 C ATOM 858 C ARG A 55 -1.448 8.237 8.690 1.00 0.00 C ATOM 859 O ARG A 55 -1.211 9.030 7.779 1.00 0.00 O ATOM 860 CB ARG A 55 -2.328 8.833 10.954 1.00 0.00 C ATOM 861 CG ARG A 55 -2.383 10.342 11.122 1.00 0.00 C ATOM 862 CD ARG A 55 -3.798 10.820 11.407 1.00 0.00 C ATOM 863 NE ARG A 55 -3.947 12.255 11.180 1.00 0.00 N ATOM 864 CZ ARG A 55 -3.465 13.183 12.000 1.00 0.00 C ATOM 865 NH1 ARG A 55 -2.807 12.827 13.095 1.00 0.00 N ATOM 866 NH2 ARG A 55 -3.641 14.469 11.726 1.00 0.00 N ATOM 0 H ARG A 55 -3.588 6.750 10.563 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.368 9.091 9.091 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.001 8.371 11.676 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.322 8.486 11.189 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.725 10.642 11.938 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.010 10.824 10.218 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.499 10.278 10.772 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.058 10.587 12.440 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.448 12.562 10.346 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.670 11.839 13.309 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.438 13.541 13.723 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.147 14.747 10.885 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.270 15.180 12.356 1.00 0.00 H new ATOM 880 N PRO A 56 -0.623 7.222 8.986 1.00 0.00 N ATOM 881 CA PRO A 56 0.622 6.973 8.253 1.00 0.00 C ATOM 882 C PRO A 56 0.369 6.482 6.832 1.00 0.00 C ATOM 883 O PRO A 56 1.144 6.766 5.919 1.00 0.00 O ATOM 884 CB PRO A 56 1.309 5.884 9.081 1.00 0.00 C ATOM 885 CG PRO A 56 0.198 5.187 9.788 1.00 0.00 C ATOM 886 CD PRO A 56 -0.843 6.238 10.060 1.00 0.00 C ATOM 0 HA PRO A 56 1.216 7.879 8.139 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.867 5.196 8.445 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.020 6.313 9.787 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.210 4.383 9.176 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.548 4.735 10.716 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.851 5.824 10.025 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.715 6.684 11.046 1.00 0.00 H new ATOM 894 N PHE A 57 -0.721 5.743 6.651 1.00 0.00 N ATOM 895 CA PHE A 57 -1.076 5.212 5.340 1.00 0.00 C ATOM 896 C PHE A 57 -1.963 6.192 4.578 1.00 0.00 C ATOM 897 O PHE A 57 -2.213 6.022 3.384 1.00 0.00 O ATOM 898 CB PHE A 57 -1.791 3.867 5.487 1.00 0.00 C ATOM 899 CG PHE A 57 -1.074 2.903 6.388 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.159 2.384 6.027 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.633 2.514 7.594 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.822 1.496 6.854 1.00 0.00 C ATOM 903 CE2 PHE A 57 -0.975 1.627 8.425 1.00 0.00 C ATOM 904 CZ PHE A 57 0.253 1.116 8.054 1.00 0.00 C ATOM 0 H PHE A 57 -1.374 5.498 7.396 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.156 5.066 4.774 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.794 4.039 5.877 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.905 3.415 4.502 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.607 2.676 5.089 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.594 2.908 7.889 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.783 1.100 6.562 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.421 1.334 9.364 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.768 0.421 8.701 1.00 0.00 H new ATOM 914 N VAL A 58 -2.437 7.219 5.277 1.00 0.00 N ATOM 915 CA VAL A 58 -3.296 8.227 4.667 1.00 0.00 C ATOM 916 C VAL A 58 -2.481 9.416 4.171 1.00 0.00 C ATOM 917 O VAL A 58 -2.783 9.996 3.129 1.00 0.00 O ATOM 918 CB VAL A 58 -4.363 8.728 5.658 1.00 0.00 C ATOM 919 CG1 VAL A 58 -4.939 10.058 5.196 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.463 7.690 5.825 1.00 0.00 C ATOM 0 H VAL A 58 -2.241 7.375 6.266 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.791 7.751 3.821 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.890 8.882 6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.691 10.396 5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.141 10.798 5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.398 9.935 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.209 8.060 6.529 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.935 7.502 4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.034 6.763 6.205 1.00 0.00 H new ATOM 930 N GLU A 59 -1.446 9.773 4.925 1.00 0.00 N ATOM 931 CA GLU A 59 -0.587 10.894 4.561 1.00 0.00 C ATOM 932 C GLU A 59 0.369 10.505 3.437 1.00 0.00 C ATOM 933 O GLU A 59 1.037 11.358 2.855 1.00 0.00 O ATOM 934 CB GLU A 59 0.207 11.373 5.778 1.00 0.00 C ATOM 935 CG GLU A 59 -0.663 11.724 6.974 1.00 0.00 C ATOM 936 CD GLU A 59 -1.089 13.179 6.978 1.00 0.00 C ATOM 937 OE1 GLU A 59 -1.344 13.725 5.884 1.00 0.00 O ATOM 938 OE2 GLU A 59 -1.169 13.771 8.074 1.00 0.00 O ATOM 0 H GLU A 59 -1.182 9.303 5.791 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.223 11.706 4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.913 10.596 6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.794 12.248 5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.549 11.090 6.972 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.117 11.507 7.892 1.00 0.00 H new ATOM 945 N GLU A 60 0.427 9.211 3.139 1.00 0.00 N ATOM 946 CA GLU A 60 1.302 8.708 2.087 1.00 0.00 C ATOM 947 C GLU A 60 0.550 8.592 0.764 1.00 0.00 C ATOM 948 O GLU A 60 0.910 9.229 -0.225 1.00 0.00 O ATOM 949 CB GLU A 60 1.879 7.347 2.479 1.00 0.00 C ATOM 950 CG GLU A 60 2.476 6.579 1.311 1.00 0.00 C ATOM 951 CD GLU A 60 3.611 5.666 1.732 1.00 0.00 C ATOM 952 OE1 GLU A 60 3.545 5.114 2.850 1.00 0.00 O ATOM 953 OE2 GLU A 60 4.565 5.504 0.943 1.00 0.00 O ATOM 0 H GLU A 60 -0.121 8.492 3.611 1.00 0.00 H new ATOM 0 HA GLU A 60 2.120 9.417 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.648 7.493 3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.092 6.746 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.696 5.986 0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.840 7.285 0.565 1.00 0.00 H new ATOM 960 N ALA A 61 -0.497 7.772 0.755 1.00 0.00 N ATOM 961 CA ALA A 61 -1.300 7.573 -0.445 1.00 0.00 C ATOM 962 C ALA A 61 -1.624 8.903 -1.116 1.00 0.00 C ATOM 963 O ALA A 61 -1.474 9.049 -2.329 1.00 0.00 O ATOM 964 CB ALA A 61 -2.581 6.826 -0.103 1.00 0.00 C ATOM 0 H ALA A 61 -0.808 7.236 1.565 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.719 6.975 -1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.172 6.684 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.333 5.855 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.157 7.404 0.620 1.00 0.00 H new ATOM 970 N GLU A 62 -2.069 9.870 -0.320 1.00 0.00 N ATOM 971 CA GLU A 62 -2.415 11.188 -0.839 1.00 0.00 C ATOM 972 C GLU A 62 -1.311 11.722 -1.748 1.00 0.00 C ATOM 973 O GLU A 62 -1.542 11.999 -2.925 1.00 0.00 O ATOM 974 CB GLU A 62 -2.661 12.166 0.312 1.00 0.00 C ATOM 975 CG GLU A 62 -2.913 13.593 -0.146 1.00 0.00 C ATOM 976 CD GLU A 62 -4.385 13.884 -0.363 1.00 0.00 C ATOM 977 OE1 GLU A 62 -5.009 13.198 -1.199 1.00 0.00 O ATOM 978 OE2 GLU A 62 -4.913 14.798 0.304 1.00 0.00 O ATOM 0 H GLU A 62 -2.198 9.766 0.686 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.329 11.091 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.517 11.823 0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.799 12.154 0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.515 14.285 0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.370 13.774 -1.074 1.00 0.00 H new ATOM 985 N ARG A 63 -0.112 11.862 -1.193 1.00 0.00 N ATOM 986 CA ARG A 63 1.027 12.364 -1.951 1.00 0.00 C ATOM 987 C ARG A 63 1.138 11.656 -3.298 1.00 0.00 C ATOM 988 O ARG A 63 1.314 12.296 -4.336 1.00 0.00 O ATOM 989 CB ARG A 63 2.320 12.175 -1.156 1.00 0.00 C ATOM 990 CG ARG A 63 2.289 12.824 0.218 1.00 0.00 C ATOM 991 CD ARG A 63 3.422 12.318 1.098 1.00 0.00 C ATOM 992 NE ARG A 63 3.733 13.250 2.179 1.00 0.00 N ATOM 993 CZ ARG A 63 4.712 13.057 3.056 1.00 0.00 C ATOM 994 NH1 ARG A 63 5.472 11.973 2.979 1.00 0.00 N ATOM 995 NH2 ARG A 63 4.934 13.951 4.012 1.00 0.00 N ATOM 0 H ARG A 63 0.096 11.635 -0.221 1.00 0.00 H new ATOM 0 HA ARG A 63 0.871 13.428 -2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.513 11.108 -1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.151 12.590 -1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.364 13.906 0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.333 12.616 0.698 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.149 11.351 1.520 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.312 12.160 0.488 1.00 0.00 H new ATOM 0 HE ARG A 63 3.168 14.095 2.265 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.306 11.285 2.245 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.223 11.828 3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.353 14.787 4.074 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.686 13.802 4.685 1.00 0.00 H new