USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 537 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 GLN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= 0.0607 X(o=0.061,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.12) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0439 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 41 THR OG1 : rot -76:sc= 0.621 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 150:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -3.77 K(o=-3.8,f=-5.1!) USER MOD Single : A 64 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.06) USER MOD Single : A 66 MET CE :methyl -128:sc= -0.119 (180deg=-2.24!) USER MOD Single : A 86 MET CE :methyl -120:sc= -0.793 (180deg=-3.55!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 MET CE :methyl -100:sc= -1.26 (180deg=-3.26!) USER MOD Single : A 90 GLN : amide:sc=-0.00629 K(o=-0.0063,f=-1.4) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N VAL A 9 -6.363 13.185 0.624 1.00 0.00 N ATOM 127 CA VAL A 9 -5.535 12.029 0.936 1.00 0.00 C ATOM 128 C VAL A 9 -5.418 11.817 2.440 1.00 0.00 C ATOM 129 O VAL A 9 -5.651 12.732 3.230 1.00 0.00 O ATOM 130 CB VAL A 9 -4.121 12.184 0.343 1.00 0.00 C ATOM 131 CG1 VAL A 9 -3.316 10.906 0.524 1.00 0.00 C ATOM 132 CG2 VAL A 9 -4.199 12.572 -1.124 1.00 0.00 C ATOM 0 HA VAL A 9 -6.023 11.162 0.491 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.609 12.982 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.322 11.039 0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.228 10.679 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.821 10.083 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.192 12.677 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.732 11.799 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.730 13.519 -1.222 1.00 0.00 H new ATOM 142 N GLY A 10 -5.061 10.600 2.824 1.00 0.00 N ATOM 143 CA GLY A 10 -4.873 10.282 4.217 1.00 0.00 C ATOM 144 C GLY A 10 -3.412 10.021 4.521 1.00 0.00 C ATOM 145 O GLY A 10 -2.927 10.336 5.606 1.00 0.00 O ATOM 0 H GLY A 10 -4.898 9.822 2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.235 11.104 4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.465 9.404 4.477 1.00 0.00 H new ATOM 149 N TRP A 11 -2.699 9.481 3.530 1.00 0.00 N ATOM 150 CA TRP A 11 -1.274 9.219 3.669 1.00 0.00 C ATOM 151 C TRP A 11 -0.509 10.531 3.806 1.00 0.00 C ATOM 152 O TRP A 11 -0.313 11.259 2.833 1.00 0.00 O ATOM 153 CB TRP A 11 -0.750 8.415 2.467 1.00 0.00 C ATOM 154 CG TRP A 11 0.748 8.379 2.372 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.592 7.541 3.041 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.577 9.238 1.582 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.894 7.819 2.708 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.912 8.856 1.813 1.00 0.00 C ATOM 159 CE3 TRP A 11 1.321 10.288 0.696 1.00 0.00 C ATOM 160 CZ2 TRP A 11 3.985 9.489 1.191 1.00 0.00 C ATOM 161 CZ3 TRP A 11 2.387 10.915 0.080 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.705 10.514 0.330 1.00 0.00 C ATOM 0 H TRP A 11 -3.089 9.219 2.625 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.118 8.626 4.570 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.126 7.394 2.533 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.153 8.845 1.550 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.281 6.771 3.732 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.715 7.333 3.068 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.308 10.604 0.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.003 9.181 1.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.200 11.728 -0.606 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.517 11.024 -0.167 1.00 0.00 H new ATOM 173 N ASP A 12 -0.083 10.818 5.024 1.00 0.00 N ATOM 174 CA ASP A 12 0.666 12.035 5.309 1.00 0.00 C ATOM 175 C ASP A 12 2.171 11.773 5.239 1.00 0.00 C ATOM 176 O ASP A 12 2.705 10.991 6.024 1.00 0.00 O ATOM 177 CB ASP A 12 0.297 12.570 6.694 1.00 0.00 C ATOM 178 CG ASP A 12 -0.923 13.470 6.658 1.00 0.00 C ATOM 179 OD1 ASP A 12 -2.052 12.941 6.717 1.00 0.00 O ATOM 180 OD2 ASP A 12 -0.749 14.703 6.566 1.00 0.00 O ATOM 0 H ASP A 12 -0.243 10.223 5.837 1.00 0.00 H new ATOM 0 HA ASP A 12 0.406 12.780 4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.108 11.733 7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.142 13.123 7.104 1.00 0.00 H new ATOM 185 N PRO A 13 2.879 12.419 4.294 1.00 0.00 N ATOM 186 CA PRO A 13 4.326 12.238 4.138 1.00 0.00 C ATOM 187 C PRO A 13 5.079 12.432 5.450 1.00 0.00 C ATOM 188 O PRO A 13 4.616 13.144 6.343 1.00 0.00 O ATOM 189 CB PRO A 13 4.718 13.320 3.132 1.00 0.00 C ATOM 190 CG PRO A 13 3.475 13.585 2.355 1.00 0.00 C ATOM 191 CD PRO A 13 2.332 13.372 3.311 1.00 0.00 C ATOM 0 HA PRO A 13 4.575 11.228 3.813 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.069 14.220 3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.526 12.983 2.483 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.470 14.602 1.962 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.399 12.913 1.500 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.025 14.305 3.784 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.455 12.968 2.805 1.00 0.00 H new ATOM 199 N GLN A 14 6.240 11.792 5.563 1.00 0.00 N ATOM 200 CA GLN A 14 7.062 11.886 6.769 1.00 0.00 C ATOM 201 C GLN A 14 6.483 11.055 7.917 1.00 0.00 C ATOM 202 O GLN A 14 7.043 11.033 9.012 1.00 0.00 O ATOM 203 CB GLN A 14 7.201 13.347 7.209 1.00 0.00 C ATOM 204 CG GLN A 14 8.618 13.735 7.597 1.00 0.00 C ATOM 205 CD GLN A 14 9.333 14.502 6.501 1.00 0.00 C ATOM 206 OE1 GLN A 14 10.083 15.439 6.770 1.00 0.00 O ATOM 207 NE2 GLN A 14 9.102 14.105 5.254 1.00 0.00 N ATOM 0 H GLN A 14 6.635 11.200 4.832 1.00 0.00 H new ATOM 0 HA GLN A 14 8.045 11.485 6.523 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.865 13.995 6.399 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.539 13.527 8.056 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.590 14.343 8.502 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.185 12.835 7.835 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.472 13.323 5.076 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.555 14.583 4.475 1.00 0.00 H new ATOM 216 N ASN A 15 5.366 10.370 7.668 1.00 0.00 N ATOM 217 CA ASN A 15 4.736 9.546 8.694 1.00 0.00 C ATOM 218 C ASN A 15 4.473 8.139 8.170 1.00 0.00 C ATOM 219 O ASN A 15 5.020 7.162 8.682 1.00 0.00 O ATOM 220 CB ASN A 15 3.424 10.184 9.154 1.00 0.00 C ATOM 221 CG ASN A 15 3.642 11.301 10.156 1.00 0.00 C ATOM 222 OD1 ASN A 15 3.735 11.062 11.359 1.00 0.00 O ATOM 223 ND2 ASN A 15 3.725 12.531 9.662 1.00 0.00 N ATOM 0 H ASN A 15 4.883 10.371 6.770 1.00 0.00 H new ATOM 0 HA ASN A 15 5.417 9.479 9.543 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.891 10.576 8.288 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.788 9.419 9.600 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.872 13.323 10.288 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.642 12.684 8.657 1.00 0.00 H new ATOM 230 N GLY A 16 3.637 8.044 7.141 1.00 0.00 N ATOM 231 CA GLY A 16 3.317 6.754 6.560 1.00 0.00 C ATOM 232 C GLY A 16 1.880 6.344 6.815 1.00 0.00 C ATOM 233 O GLY A 16 0.966 7.161 6.705 1.00 0.00 O ATOM 0 H GLY A 16 3.175 8.839 6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.497 6.788 5.485 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.986 5.998 6.971 1.00 0.00 H new ATOM 237 N PHE A 17 1.681 5.075 7.154 1.00 0.00 N ATOM 238 CA PHE A 17 0.346 4.558 7.426 1.00 0.00 C ATOM 239 C PHE A 17 -0.128 4.979 8.814 1.00 0.00 C ATOM 240 O PHE A 17 0.615 5.604 9.571 1.00 0.00 O ATOM 241 CB PHE A 17 0.334 3.032 7.313 1.00 0.00 C ATOM 242 CG PHE A 17 0.320 2.530 5.897 1.00 0.00 C ATOM 243 CD1 PHE A 17 1.502 2.375 5.192 1.00 0.00 C ATOM 244 CD2 PHE A 17 -0.875 2.205 5.274 1.00 0.00 C ATOM 245 CE1 PHE A 17 1.493 1.910 3.890 1.00 0.00 C ATOM 246 CE2 PHE A 17 -0.891 1.741 3.973 1.00 0.00 C ATOM 247 CZ PHE A 17 0.296 1.589 3.282 1.00 0.00 C ATOM 0 H PHE A 17 2.427 4.386 7.247 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.336 4.976 6.685 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.211 2.632 7.822 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.541 2.645 7.835 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.442 2.620 5.665 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.805 2.316 5.812 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.421 1.798 3.349 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.829 1.498 3.497 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.287 1.219 2.267 1.00 0.00 H new ATOM 257 N ASP A 18 -1.366 4.630 9.142 1.00 0.00 N ATOM 258 CA ASP A 18 -1.938 4.969 10.440 1.00 0.00 C ATOM 259 C ASP A 18 -2.988 3.942 10.856 1.00 0.00 C ATOM 260 O ASP A 18 -4.134 4.288 11.142 1.00 0.00 O ATOM 261 CB ASP A 18 -2.559 6.367 10.395 1.00 0.00 C ATOM 262 CG ASP A 18 -2.120 7.233 11.560 1.00 0.00 C ATOM 263 OD1 ASP A 18 -2.077 6.720 12.698 1.00 0.00 O ATOM 264 OD2 ASP A 18 -1.819 8.424 11.334 1.00 0.00 O ATOM 0 H ASP A 18 -1.994 4.112 8.527 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.137 4.960 11.179 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.283 6.854 9.460 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.645 6.279 10.400 1.00 0.00 H new ATOM 269 N VAL A 19 -2.586 2.675 10.890 1.00 0.00 N ATOM 270 CA VAL A 19 -3.491 1.592 11.260 1.00 0.00 C ATOM 271 C VAL A 19 -4.271 1.926 12.528 1.00 0.00 C ATOM 272 O VAL A 19 -5.404 1.478 12.705 1.00 0.00 O ATOM 273 CB VAL A 19 -2.727 0.271 11.474 1.00 0.00 C ATOM 274 CG1 VAL A 19 -1.943 -0.101 10.224 1.00 0.00 C ATOM 275 CG2 VAL A 19 -1.806 0.372 12.680 1.00 0.00 C ATOM 0 H VAL A 19 -1.638 2.373 10.665 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.190 1.472 10.432 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.453 -0.518 11.668 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.410 -1.036 10.394 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.630 -0.222 9.386 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.227 0.688 9.995 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.276 -0.571 12.813 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.085 1.174 12.521 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.396 0.586 13.571 1.00 0.00 H new ATOM 285 N ASN A 20 -3.662 2.717 13.404 1.00 0.00 N ATOM 286 CA ASN A 20 -4.310 3.107 14.650 1.00 0.00 C ATOM 287 C ASN A 20 -5.666 3.743 14.370 1.00 0.00 C ATOM 288 O ASN A 20 -6.578 3.675 15.195 1.00 0.00 O ATOM 289 CB ASN A 20 -3.425 4.084 15.426 1.00 0.00 C ATOM 290 CG ASN A 20 -3.557 3.915 16.923 1.00 0.00 C ATOM 291 OD1 ASN A 20 -2.639 3.440 17.593 1.00 0.00 O ATOM 292 ND2 ASN A 20 -4.705 4.308 17.460 1.00 0.00 N ATOM 0 H ASN A 20 -2.725 3.099 13.275 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.461 2.212 15.253 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.385 3.936 15.137 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.690 5.106 15.153 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.854 4.222 18.465 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.439 4.696 16.867 1.00 0.00 H new ATOM 299 N ASN A 21 -5.796 4.348 13.195 1.00 0.00 N ATOM 300 CA ASN A 21 -7.045 4.984 12.795 1.00 0.00 C ATOM 301 C ASN A 21 -7.381 4.685 11.333 1.00 0.00 C ATOM 302 O ASN A 21 -8.294 5.286 10.766 1.00 0.00 O ATOM 303 CB ASN A 21 -6.958 6.497 13.007 1.00 0.00 C ATOM 304 CG ASN A 21 -6.640 6.862 14.443 1.00 0.00 C ATOM 305 OD1 ASN A 21 -7.522 6.876 15.303 1.00 0.00 O ATOM 306 ND2 ASN A 21 -5.374 7.159 14.713 1.00 0.00 N ATOM 0 H ASN A 21 -5.050 4.411 12.502 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.841 4.575 13.417 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.191 6.909 12.352 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.904 6.956 12.719 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.101 7.411 15.663 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.675 7.135 13.971 1.00 0.00 H new ATOM 313 N LEU A 22 -6.648 3.751 10.724 1.00 0.00 N ATOM 314 CA LEU A 22 -6.883 3.389 9.330 1.00 0.00 C ATOM 315 C LEU A 22 -8.220 2.659 9.159 1.00 0.00 C ATOM 316 O LEU A 22 -8.729 2.039 10.093 1.00 0.00 O ATOM 317 CB LEU A 22 -5.704 2.577 8.766 1.00 0.00 C ATOM 318 CG LEU A 22 -5.878 1.063 8.798 1.00 0.00 C ATOM 319 CD1 LEU A 22 -4.594 0.337 8.418 1.00 0.00 C ATOM 320 CD2 LEU A 22 -6.393 0.637 10.158 1.00 0.00 C ATOM 0 H LEU A 22 -5.891 3.235 11.173 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.950 4.309 8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.534 2.884 7.734 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.806 2.834 9.328 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.617 0.781 8.048 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.761 -0.740 8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.298 0.626 7.410 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.803 0.605 9.119 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.516 -0.446 10.178 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.680 0.935 10.927 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.354 1.115 10.349 1.00 0.00 H new ATOM 332 N ASP A 23 -8.794 2.763 7.966 1.00 0.00 N ATOM 333 CA ASP A 23 -10.068 2.120 7.672 1.00 0.00 C ATOM 334 C ASP A 23 -9.965 0.607 7.839 1.00 0.00 C ATOM 335 O ASP A 23 -8.926 0.011 7.551 1.00 0.00 O ATOM 336 CB ASP A 23 -10.514 2.457 6.248 1.00 0.00 C ATOM 337 CG ASP A 23 -11.435 3.660 6.200 1.00 0.00 C ATOM 338 OD1 ASP A 23 -11.637 4.295 7.257 1.00 0.00 O ATOM 339 OD2 ASP A 23 -11.955 3.966 5.107 1.00 0.00 O ATOM 0 H ASP A 23 -8.397 3.287 7.186 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.809 2.496 8.378 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.636 2.650 5.631 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.023 1.595 5.816 1.00 0.00 H new ATOM 344 N PRO A 24 -11.044 -0.039 8.313 1.00 0.00 N ATOM 345 CA PRO A 24 -11.072 -1.489 8.513 1.00 0.00 C ATOM 346 C PRO A 24 -11.136 -2.252 7.194 1.00 0.00 C ATOM 347 O PRO A 24 -10.517 -3.306 7.042 1.00 0.00 O ATOM 348 CB PRO A 24 -12.346 -1.708 9.322 1.00 0.00 C ATOM 349 CG PRO A 24 -13.236 -0.580 8.931 1.00 0.00 C ATOM 350 CD PRO A 24 -12.327 0.593 8.679 1.00 0.00 C ATOM 0 HA PRO A 24 -10.171 -1.853 9.007 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.802 -2.671 9.092 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.142 -1.700 10.393 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -13.811 -0.827 8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.953 -0.356 9.721 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.704 1.229 7.878 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.227 1.221 9.564 1.00 0.00 H new ATOM 358 N ASP A 25 -11.882 -1.708 6.238 1.00 0.00 N ATOM 359 CA ASP A 25 -12.024 -2.331 4.929 1.00 0.00 C ATOM 360 C ASP A 25 -10.676 -2.422 4.221 1.00 0.00 C ATOM 361 O ASP A 25 -10.314 -3.469 3.685 1.00 0.00 O ATOM 362 CB ASP A 25 -13.014 -1.541 4.070 1.00 0.00 C ATOM 363 CG ASP A 25 -14.433 -2.062 4.198 1.00 0.00 C ATOM 364 OD1 ASP A 25 -14.742 -3.099 3.575 1.00 0.00 O ATOM 365 OD2 ASP A 25 -15.233 -1.434 4.924 1.00 0.00 O ATOM 0 H ASP A 25 -12.398 -0.835 6.347 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.406 -3.342 5.074 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.987 -0.491 4.362 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.705 -1.589 3.026 1.00 0.00 H new ATOM 370 N LEU A 26 -9.935 -1.318 4.226 1.00 0.00 N ATOM 371 CA LEU A 26 -8.622 -1.276 3.594 1.00 0.00 C ATOM 372 C LEU A 26 -7.610 -2.081 4.406 1.00 0.00 C ATOM 373 O LEU A 26 -6.675 -2.660 3.853 1.00 0.00 O ATOM 374 CB LEU A 26 -8.151 0.174 3.447 1.00 0.00 C ATOM 375 CG LEU A 26 -6.897 0.373 2.591 1.00 0.00 C ATOM 376 CD1 LEU A 26 -5.676 -0.208 3.285 1.00 0.00 C ATOM 377 CD2 LEU A 26 -7.082 -0.252 1.217 1.00 0.00 C ATOM 0 H LEU A 26 -10.222 -0.441 4.661 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.701 -1.722 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.962 0.760 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.960 0.579 4.441 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.738 1.443 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.796 -0.056 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.531 0.290 4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.824 -1.275 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.180 -0.100 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.269 -1.320 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.929 0.216 0.716 1.00 0.00 H new ATOM 389 N ARG A 27 -7.811 -2.123 5.719 1.00 0.00 N ATOM 390 CA ARG A 27 -6.923 -2.868 6.604 1.00 0.00 C ATOM 391 C ARG A 27 -6.871 -4.336 6.199 1.00 0.00 C ATOM 392 O ARG A 27 -5.817 -4.972 6.265 1.00 0.00 O ATOM 393 CB ARG A 27 -7.393 -2.747 8.055 1.00 0.00 C ATOM 394 CG ARG A 27 -6.312 -3.072 9.075 1.00 0.00 C ATOM 395 CD ARG A 27 -6.829 -4.011 10.154 1.00 0.00 C ATOM 396 NE ARG A 27 -5.811 -4.301 11.159 1.00 0.00 N ATOM 397 CZ ARG A 27 -6.087 -4.780 12.369 1.00 0.00 C ATOM 398 NH1 ARG A 27 -7.343 -5.021 12.717 1.00 0.00 N ATOM 399 NH2 ARG A 27 -5.107 -5.018 13.230 1.00 0.00 N ATOM 0 H ARG A 27 -8.580 -1.650 6.193 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.922 -2.444 6.518 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.751 -1.732 8.229 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.240 -3.415 8.211 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.460 -3.529 8.571 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.954 -2.150 9.534 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.699 -3.565 10.637 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.162 -4.942 9.695 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.835 -4.127 10.921 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.099 -4.839 12.057 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.554 -5.388 13.645 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.139 -4.834 12.965 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.321 -5.385 14.157 1.00 0.00 H new ATOM 413 N SER A 28 -8.013 -4.870 5.780 1.00 0.00 N ATOM 414 CA SER A 28 -8.094 -6.260 5.355 1.00 0.00 C ATOM 415 C SER A 28 -7.422 -6.446 3.999 1.00 0.00 C ATOM 416 O SER A 28 -6.847 -7.498 3.718 1.00 0.00 O ATOM 417 CB SER A 28 -9.554 -6.711 5.281 1.00 0.00 C ATOM 418 OG SER A 28 -10.384 -5.889 6.084 1.00 0.00 O ATOM 0 H SER A 28 -8.895 -4.360 5.726 1.00 0.00 H new ATOM 0 HA SER A 28 -7.572 -6.873 6.090 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.896 -6.678 4.247 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.635 -7.747 5.611 1.00 0.00 H new ATOM 0 HG SER A 28 -11.312 -6.197 6.018 1.00 0.00 H new ATOM 424 N LEU A 29 -7.493 -5.412 3.165 1.00 0.00 N ATOM 425 CA LEU A 29 -6.884 -5.454 1.841 1.00 0.00 C ATOM 426 C LEU A 29 -5.410 -5.832 1.935 1.00 0.00 C ATOM 427 O LEU A 29 -4.833 -6.362 0.985 1.00 0.00 O ATOM 428 CB LEU A 29 -7.034 -4.099 1.146 1.00 0.00 C ATOM 429 CG LEU A 29 -7.085 -4.157 -0.382 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.487 -2.806 -0.952 1.00 0.00 C ATOM 431 CD2 LEU A 29 -5.741 -4.598 -0.943 1.00 0.00 C ATOM 0 H LEU A 29 -7.966 -4.535 3.384 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.398 -6.214 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.945 -3.622 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.201 -3.462 1.443 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.836 -4.890 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.518 -2.865 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.472 -2.531 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.759 -2.053 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.795 -4.634 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.970 -3.889 -0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.494 -5.588 -0.559 1.00 0.00 H new ATOM 443 N PHE A 30 -4.805 -5.558 3.087 1.00 0.00 N ATOM 444 CA PHE A 30 -3.399 -5.876 3.307 1.00 0.00 C ATOM 445 C PHE A 30 -3.242 -7.295 3.839 1.00 0.00 C ATOM 446 O PHE A 30 -2.515 -8.108 3.268 1.00 0.00 O ATOM 447 CB PHE A 30 -2.775 -4.881 4.287 1.00 0.00 C ATOM 448 CG PHE A 30 -2.503 -3.534 3.682 1.00 0.00 C ATOM 449 CD1 PHE A 30 -1.739 -3.418 2.532 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.012 -2.383 4.263 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.486 -2.180 1.972 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.763 -1.142 3.707 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.999 -1.040 2.562 1.00 0.00 C ATOM 0 H PHE A 30 -5.267 -5.117 3.882 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.882 -5.804 2.350 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.441 -4.759 5.141 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.841 -5.295 4.667 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.336 -4.306 2.067 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.610 -2.456 5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.889 -2.103 1.075 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.166 -0.253 4.168 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.802 -0.071 2.128 1.00 0.00 H new ATOM 463 N SER A 31 -3.933 -7.588 4.935 1.00 0.00 N ATOM 464 CA SER A 31 -3.875 -8.911 5.544 1.00 0.00 C ATOM 465 C SER A 31 -4.147 -9.998 4.509 1.00 0.00 C ATOM 466 O SER A 31 -3.708 -11.137 4.661 1.00 0.00 O ATOM 467 CB SER A 31 -4.886 -9.015 6.688 1.00 0.00 C ATOM 468 OG SER A 31 -5.005 -10.352 7.142 1.00 0.00 O ATOM 0 H SER A 31 -4.540 -6.927 5.420 1.00 0.00 H new ATOM 0 HA SER A 31 -2.871 -9.056 5.942 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.574 -8.374 7.513 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.858 -8.653 6.353 1.00 0.00 H new ATOM 0 HG SER A 31 -5.655 -10.392 7.874 1.00 0.00 H new ATOM 474 N ARG A 32 -4.874 -9.637 3.456 1.00 0.00 N ATOM 475 CA ARG A 32 -5.203 -10.580 2.395 1.00 0.00 C ATOM 476 C ARG A 32 -4.094 -10.630 1.349 1.00 0.00 C ATOM 477 O ARG A 32 -3.765 -11.697 0.829 1.00 0.00 O ATOM 478 CB ARG A 32 -6.527 -10.195 1.732 1.00 0.00 C ATOM 479 CG ARG A 32 -7.712 -10.210 2.683 1.00 0.00 C ATOM 480 CD ARG A 32 -8.845 -9.333 2.176 1.00 0.00 C ATOM 481 NE ARG A 32 -10.095 -9.581 2.890 1.00 0.00 N ATOM 482 CZ ARG A 32 -11.257 -9.035 2.550 1.00 0.00 C ATOM 483 NH1 ARG A 32 -11.327 -8.215 1.511 1.00 0.00 N ATOM 484 NH2 ARG A 32 -12.350 -9.309 3.249 1.00 0.00 N ATOM 0 H ARG A 32 -5.246 -8.698 3.316 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.303 -11.569 2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.431 -9.199 1.300 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.724 -10.881 0.909 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.069 -11.233 2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.395 -9.864 3.667 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.568 -8.285 2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.994 -9.514 1.112 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.074 -10.208 3.694 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.488 -8.003 0.971 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.220 -7.796 1.251 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.299 -9.940 4.049 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.242 -8.889 2.987 1.00 0.00 H new ATOM 498 N ALA A 33 -3.520 -9.470 1.045 1.00 0.00 N ATOM 499 CA ALA A 33 -2.448 -9.383 0.061 1.00 0.00 C ATOM 500 C ALA A 33 -1.132 -9.900 0.635 1.00 0.00 C ATOM 501 O ALA A 33 -0.240 -10.310 -0.109 1.00 0.00 O ATOM 502 CB ALA A 33 -2.289 -7.950 -0.424 1.00 0.00 C ATOM 0 H ALA A 33 -3.780 -8.578 1.466 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.716 -10.013 -0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.485 -7.901 -1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.220 -7.616 -0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.048 -7.305 0.421 1.00 0.00 H new ATOM 508 N GLY A 34 -1.017 -9.882 1.959 1.00 0.00 N ATOM 509 CA GLY A 34 0.193 -10.359 2.605 1.00 0.00 C ATOM 510 C GLY A 34 0.896 -9.277 3.401 1.00 0.00 C ATOM 511 O GLY A 34 1.703 -9.572 4.282 1.00 0.00 O ATOM 0 H GLY A 34 -1.739 -9.546 2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.056 -11.188 3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.874 -10.749 1.849 1.00 0.00 H new ATOM 515 N ILE A 35 0.594 -8.020 3.089 1.00 0.00 N ATOM 516 CA ILE A 35 1.208 -6.894 3.782 1.00 0.00 C ATOM 517 C ILE A 35 0.750 -6.825 5.235 1.00 0.00 C ATOM 518 O ILE A 35 -0.428 -7.020 5.536 1.00 0.00 O ATOM 519 CB ILE A 35 0.880 -5.557 3.090 1.00 0.00 C ATOM 520 CG1 ILE A 35 1.141 -5.658 1.586 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.697 -4.428 3.702 1.00 0.00 C ATOM 522 CD1 ILE A 35 0.877 -4.370 0.838 1.00 0.00 C ATOM 0 H ILE A 35 -0.071 -7.757 2.362 1.00 0.00 H new ATOM 0 HA ILE A 35 2.285 -7.056 3.749 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.177 -5.337 3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.177 -5.956 1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.514 -6.446 1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.454 -3.490 3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.464 -4.344 4.764 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.759 -4.640 3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.083 -4.516 -0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.166 -4.081 0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.523 -3.584 1.228 1.00 0.00 H new ATOM 534 N SER A 36 1.688 -6.541 6.133 1.00 0.00 N ATOM 535 CA SER A 36 1.381 -6.442 7.556 1.00 0.00 C ATOM 536 C SER A 36 1.793 -5.080 8.107 1.00 0.00 C ATOM 537 O SER A 36 2.343 -4.248 7.385 1.00 0.00 O ATOM 538 CB SER A 36 2.091 -7.554 8.330 1.00 0.00 C ATOM 539 OG SER A 36 3.499 -7.430 8.229 1.00 0.00 O ATOM 0 H SER A 36 2.667 -6.375 5.901 1.00 0.00 H new ATOM 0 HA SER A 36 0.304 -6.553 7.679 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.794 -7.518 9.378 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.780 -8.525 7.944 1.00 0.00 H new ATOM 0 HG SER A 36 3.928 -8.152 8.734 1.00 0.00 H new ATOM 545 N GLU A 37 1.524 -4.860 9.389 1.00 0.00 N ATOM 546 CA GLU A 37 1.866 -3.599 10.038 1.00 0.00 C ATOM 547 C GLU A 37 3.320 -3.224 9.771 1.00 0.00 C ATOM 548 O GLU A 37 3.651 -2.048 9.618 1.00 0.00 O ATOM 549 CB GLU A 37 1.621 -3.698 11.545 1.00 0.00 C ATOM 550 CG GLU A 37 0.611 -2.688 12.066 1.00 0.00 C ATOM 551 CD GLU A 37 0.050 -3.071 13.421 1.00 0.00 C ATOM 552 OE1 GLU A 37 0.662 -2.697 14.444 1.00 0.00 O ATOM 553 OE2 GLU A 37 -1.000 -3.746 13.460 1.00 0.00 O ATOM 0 H GLU A 37 1.070 -5.539 10.000 1.00 0.00 H new ATOM 0 HA GLU A 37 1.228 -2.819 9.621 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.273 -4.703 11.783 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.567 -3.556 12.068 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.085 -1.709 12.137 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.207 -2.595 11.351 1.00 0.00 H new ATOM 560 N ALA A 38 4.184 -4.231 9.716 1.00 0.00 N ATOM 561 CA ALA A 38 5.606 -4.008 9.473 1.00 0.00 C ATOM 562 C ALA A 38 5.830 -3.266 8.158 1.00 0.00 C ATOM 563 O ALA A 38 6.698 -2.400 8.063 1.00 0.00 O ATOM 564 CB ALA A 38 6.355 -5.331 9.470 1.00 0.00 C ATOM 0 H ALA A 38 3.926 -5.210 9.836 1.00 0.00 H new ATOM 0 HA ALA A 38 5.994 -3.386 10.280 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.414 -5.149 9.288 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.232 -5.821 10.436 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.957 -5.973 8.684 1.00 0.00 H new ATOM 570 N GLN A 39 5.044 -3.617 7.144 1.00 0.00 N ATOM 571 CA GLN A 39 5.160 -2.985 5.835 1.00 0.00 C ATOM 572 C GLN A 39 4.509 -1.604 5.833 1.00 0.00 C ATOM 573 O GLN A 39 4.838 -0.755 5.005 1.00 0.00 O ATOM 574 CB GLN A 39 4.516 -3.866 4.762 1.00 0.00 C ATOM 575 CG GLN A 39 5.513 -4.737 4.014 1.00 0.00 C ATOM 576 CD GLN A 39 5.717 -6.088 4.672 1.00 0.00 C ATOM 577 OE1 GLN A 39 6.555 -6.238 5.562 1.00 0.00 O ATOM 578 NE2 GLN A 39 4.950 -7.079 4.236 1.00 0.00 N ATOM 0 H GLN A 39 4.321 -4.334 7.204 1.00 0.00 H new ATOM 0 HA GLN A 39 6.220 -2.865 5.612 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.766 -4.505 5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.993 -3.231 4.047 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.166 -4.884 2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.470 -4.218 3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.269 -6.909 3.496 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.042 -8.011 4.641 1.00 0.00 H new ATOM 587 N LEU A 40 3.585 -1.385 6.764 1.00 0.00 N ATOM 588 CA LEU A 40 2.888 -0.109 6.864 1.00 0.00 C ATOM 589 C LEU A 40 3.655 0.868 7.749 1.00 0.00 C ATOM 590 O LEU A 40 3.610 2.080 7.536 1.00 0.00 O ATOM 591 CB LEU A 40 1.480 -0.320 7.422 1.00 0.00 C ATOM 592 CG LEU A 40 0.681 -1.441 6.753 1.00 0.00 C ATOM 593 CD1 LEU A 40 -0.578 -1.746 7.549 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.333 -1.064 5.322 1.00 0.00 C ATOM 0 H LEU A 40 3.302 -2.075 7.460 1.00 0.00 H new ATOM 0 HA LEU A 40 2.819 0.317 5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.556 -0.535 8.488 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.923 0.612 7.323 1.00 0.00 H new ATOM 0 HG LEU A 40 1.297 -2.340 6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.134 -2.545 7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.304 -2.059 8.557 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.200 -0.852 7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.235 -1.872 4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.266 -0.153 5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.250 -0.896 4.757 1.00 0.00 H new ATOM 606 N THR A 41 4.354 0.335 8.745 1.00 0.00 N ATOM 607 CA THR A 41 5.129 1.161 9.663 1.00 0.00 C ATOM 608 C THR A 41 6.377 1.710 8.979 1.00 0.00 C ATOM 609 O THR A 41 6.801 2.835 9.248 1.00 0.00 O ATOM 610 CB THR A 41 5.526 0.353 10.900 1.00 0.00 C ATOM 611 OG1 THR A 41 6.007 -0.927 10.527 1.00 0.00 O ATOM 612 CG2 THR A 41 4.385 0.151 11.874 1.00 0.00 C ATOM 0 H THR A 41 4.400 -0.666 8.937 1.00 0.00 H new ATOM 0 HA THR A 41 4.505 2.000 9.971 1.00 0.00 H new ATOM 0 HB THR A 41 6.302 0.938 11.393 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.252 -1.501 10.280 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.734 -0.429 12.728 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.024 1.120 12.217 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.574 -0.384 11.379 1.00 0.00 H new ATOM 620 N ASP A 42 6.962 0.910 8.095 1.00 0.00 N ATOM 621 CA ASP A 42 8.161 1.317 7.373 1.00 0.00 C ATOM 622 C ASP A 42 7.834 2.380 6.330 1.00 0.00 C ATOM 623 O ASP A 42 7.138 2.112 5.352 1.00 0.00 O ATOM 624 CB ASP A 42 8.810 0.107 6.697 1.00 0.00 C ATOM 625 CG ASP A 42 9.756 -0.634 7.622 1.00 0.00 C ATOM 626 OD1 ASP A 42 9.754 -0.336 8.835 1.00 0.00 O ATOM 627 OD2 ASP A 42 10.497 -1.513 7.134 1.00 0.00 O ATOM 0 H ASP A 42 6.625 -0.024 7.861 1.00 0.00 H new ATOM 0 HA ASP A 42 8.861 1.742 8.093 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.032 -0.575 6.355 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.355 0.437 5.813 1.00 0.00 H new ATOM 632 N ALA A 43 8.341 3.590 6.548 1.00 0.00 N ATOM 633 CA ALA A 43 8.100 4.697 5.628 1.00 0.00 C ATOM 634 C ALA A 43 8.646 4.382 4.239 1.00 0.00 C ATOM 635 O ALA A 43 7.981 4.625 3.231 1.00 0.00 O ATOM 636 CB ALA A 43 8.724 5.974 6.166 1.00 0.00 C ATOM 0 H ALA A 43 8.921 3.829 7.353 1.00 0.00 H new ATOM 0 HA ALA A 43 7.023 4.841 5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.537 6.792 5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.285 6.214 7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.799 5.834 6.280 1.00 0.00 H new ATOM 642 N GLU A 44 9.858 3.843 4.192 1.00 0.00 N ATOM 643 CA GLU A 44 10.493 3.496 2.927 1.00 0.00 C ATOM 644 C GLU A 44 9.609 2.558 2.112 1.00 0.00 C ATOM 645 O GLU A 44 9.545 2.658 0.887 1.00 0.00 O ATOM 646 CB GLU A 44 11.854 2.844 3.178 1.00 0.00 C ATOM 647 CG GLU A 44 12.959 3.840 3.488 1.00 0.00 C ATOM 648 CD GLU A 44 13.681 4.314 2.242 1.00 0.00 C ATOM 649 OE1 GLU A 44 13.129 4.145 1.135 1.00 0.00 O ATOM 650 OE2 GLU A 44 14.799 4.855 2.374 1.00 0.00 O ATOM 0 H GLU A 44 10.422 3.636 5.017 1.00 0.00 H new ATOM 0 HA GLU A 44 10.637 4.414 2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.764 2.144 4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.136 2.263 2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.534 4.699 4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.677 3.381 4.167 1.00 0.00 H new ATOM 657 N THR A 45 8.930 1.647 2.801 1.00 0.00 N ATOM 658 CA THR A 45 8.052 0.689 2.139 1.00 0.00 C ATOM 659 C THR A 45 6.697 1.315 1.826 1.00 0.00 C ATOM 660 O THR A 45 6.106 1.043 0.783 1.00 0.00 O ATOM 661 CB THR A 45 7.864 -0.551 3.016 1.00 0.00 C ATOM 662 OG1 THR A 45 9.098 -0.954 3.584 1.00 0.00 O ATOM 663 CG2 THR A 45 7.292 -1.734 2.266 1.00 0.00 C ATOM 0 H THR A 45 8.971 1.552 3.816 1.00 0.00 H new ATOM 0 HA THR A 45 8.520 0.395 1.199 1.00 0.00 H new ATOM 0 HB THR A 45 7.153 -0.255 3.787 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.958 -1.747 4.143 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.184 -2.579 2.946 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.316 -1.469 1.859 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.963 -2.007 1.452 1.00 0.00 H new ATOM 671 N SER A 46 6.209 2.150 2.736 1.00 0.00 N ATOM 672 CA SER A 46 4.920 2.807 2.553 1.00 0.00 C ATOM 673 C SER A 46 4.876 3.567 1.231 1.00 0.00 C ATOM 674 O SER A 46 3.856 3.575 0.543 1.00 0.00 O ATOM 675 CB SER A 46 4.644 3.765 3.713 1.00 0.00 C ATOM 676 OG SER A 46 3.690 4.747 3.348 1.00 0.00 O ATOM 0 H SER A 46 6.685 2.388 3.606 1.00 0.00 H new ATOM 0 HA SER A 46 4.149 2.037 2.533 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.281 3.203 4.574 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.572 4.250 4.017 1.00 0.00 H new ATOM 0 HG SER A 46 3.182 5.020 4.140 1.00 0.00 H new ATOM 682 N LYS A 47 5.989 4.203 0.886 1.00 0.00 N ATOM 683 CA LYS A 47 6.077 4.976 -0.346 1.00 0.00 C ATOM 684 C LYS A 47 5.749 4.117 -1.566 1.00 0.00 C ATOM 685 O LYS A 47 4.907 4.484 -2.384 1.00 0.00 O ATOM 686 CB LYS A 47 7.476 5.579 -0.489 1.00 0.00 C ATOM 687 CG LYS A 47 7.491 6.921 -1.203 1.00 0.00 C ATOM 688 CD LYS A 47 7.307 8.074 -0.229 1.00 0.00 C ATOM 689 CE LYS A 47 8.465 9.056 -0.300 1.00 0.00 C ATOM 690 NZ LYS A 47 7.994 10.468 -0.352 1.00 0.00 N ATOM 0 H LYS A 47 6.844 4.198 1.443 1.00 0.00 H new ATOM 0 HA LYS A 47 5.342 5.779 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.914 5.699 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.110 4.880 -1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.435 7.040 -1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.698 6.945 -1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.375 8.593 -0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.221 7.684 0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.110 8.920 0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.069 8.842 -1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.814 11.106 -0.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.399 10.605 -1.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.439 10.681 0.502 1.00 0.00 H new ATOM 704 N LEU A 48 6.411 2.973 -1.687 1.00 0.00 N ATOM 705 CA LEU A 48 6.175 2.078 -2.815 1.00 0.00 C ATOM 706 C LEU A 48 4.761 1.496 -2.767 1.00 0.00 C ATOM 707 O LEU A 48 4.220 1.075 -3.789 1.00 0.00 O ATOM 708 CB LEU A 48 7.215 0.951 -2.832 1.00 0.00 C ATOM 709 CG LEU A 48 6.925 -0.229 -1.900 1.00 0.00 C ATOM 710 CD1 LEU A 48 6.352 -1.400 -2.685 1.00 0.00 C ATOM 711 CD2 LEU A 48 8.186 -0.646 -1.157 1.00 0.00 C ATOM 0 H LEU A 48 7.112 2.644 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 48 6.273 2.658 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.300 0.574 -3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.185 1.371 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 48 6.184 0.086 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.152 -2.230 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.424 -1.095 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.069 -1.716 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.960 -1.486 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.950 -0.943 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.552 0.191 -0.563 1.00 0.00 H new ATOM 723 N ILE A 49 4.172 1.477 -1.575 1.00 0.00 N ATOM 724 CA ILE A 49 2.830 0.938 -1.392 1.00 0.00 C ATOM 725 C ILE A 49 1.763 2.002 -1.617 1.00 0.00 C ATOM 726 O ILE A 49 0.657 1.693 -2.060 1.00 0.00 O ATOM 727 CB ILE A 49 2.653 0.344 0.021 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.704 -0.737 0.278 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.252 -0.225 0.192 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.820 -1.133 1.734 1.00 0.00 C ATOM 0 H ILE A 49 4.604 1.829 -0.721 1.00 0.00 H new ATOM 0 HA ILE A 49 2.708 0.149 -2.134 1.00 0.00 H new ATOM 0 HB ILE A 49 2.789 1.143 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.457 -1.620 -0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.673 -0.381 -0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.147 -0.639 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.517 0.567 0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.086 -1.011 -0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.584 -1.903 1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.097 -0.262 2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.863 -1.520 2.083 1.00 0.00 H new ATOM 742 N TYR A 50 2.084 3.256 -1.307 1.00 0.00 N ATOM 743 CA TYR A 50 1.107 4.325 -1.454 1.00 0.00 C ATOM 744 C TYR A 50 0.726 4.523 -2.919 1.00 0.00 C ATOM 745 O TYR A 50 -0.352 5.034 -3.220 1.00 0.00 O ATOM 746 CB TYR A 50 1.594 5.631 -0.765 1.00 0.00 C ATOM 747 CG TYR A 50 1.752 6.841 -1.672 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.858 6.974 -2.499 1.00 0.00 C ATOM 749 CD2 TYR A 50 0.794 7.847 -1.692 1.00 0.00 C ATOM 750 CE1 TYR A 50 3.005 8.072 -3.325 1.00 0.00 C ATOM 751 CE2 TYR A 50 0.933 8.949 -2.514 1.00 0.00 C ATOM 752 CZ TYR A 50 2.040 9.057 -3.328 1.00 0.00 C ATOM 753 OH TYR A 50 2.183 10.152 -4.149 1.00 0.00 O ATOM 0 H TYR A 50 2.996 3.551 -0.959 1.00 0.00 H new ATOM 0 HA TYR A 50 0.193 4.032 -0.937 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.890 5.885 0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.553 5.431 -0.288 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.617 6.206 -2.497 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.074 7.766 -1.054 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.871 8.158 -3.965 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.178 9.722 -2.519 1.00 0.00 H new ATOM 0 HH TYR A 50 1.416 10.751 -4.032 1.00 0.00 H new ATOM 763 N ASP A 51 1.579 4.067 -3.825 1.00 0.00 N ATOM 764 CA ASP A 51 1.255 4.116 -5.239 1.00 0.00 C ATOM 765 C ASP A 51 0.017 3.262 -5.516 1.00 0.00 C ATOM 766 O ASP A 51 -0.637 3.412 -6.549 1.00 0.00 O ATOM 767 CB ASP A 51 2.436 3.624 -6.078 1.00 0.00 C ATOM 768 CG ASP A 51 2.676 4.490 -7.300 1.00 0.00 C ATOM 769 OD1 ASP A 51 1.835 5.370 -7.577 1.00 0.00 O ATOM 770 OD2 ASP A 51 3.705 4.288 -7.976 1.00 0.00 O ATOM 0 H ASP A 51 2.490 3.664 -3.608 1.00 0.00 H new ATOM 0 HA ASP A 51 1.045 5.149 -5.516 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.335 3.611 -5.462 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.251 2.597 -6.394 1.00 0.00 H new ATOM 775 N PHE A 52 -0.309 2.372 -4.572 1.00 0.00 N ATOM 776 CA PHE A 52 -1.458 1.487 -4.707 1.00 0.00 C ATOM 777 C PHE A 52 -2.744 2.159 -4.217 1.00 0.00 C ATOM 778 O PHE A 52 -3.687 2.334 -4.989 1.00 0.00 O ATOM 779 CB PHE A 52 -1.206 0.187 -3.937 1.00 0.00 C ATOM 780 CG PHE A 52 -2.366 -0.767 -3.969 1.00 0.00 C ATOM 781 CD1 PHE A 52 -2.535 -1.632 -5.037 1.00 0.00 C ATOM 782 CD2 PHE A 52 -3.284 -0.799 -2.931 1.00 0.00 C ATOM 783 CE1 PHE A 52 -3.600 -2.513 -5.072 1.00 0.00 C ATOM 784 CE2 PHE A 52 -4.351 -1.678 -2.960 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.508 -2.535 -4.032 1.00 0.00 C ATOM 0 H PHE A 52 0.213 2.250 -3.704 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.589 1.259 -5.765 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.328 -0.308 -4.353 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.974 0.428 -2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.827 -1.618 -5.852 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.165 -0.131 -2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.721 -3.182 -5.911 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.060 -1.695 -2.146 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.341 -3.222 -4.057 1.00 0.00 H new ATOM 795 N ILE A 53 -2.790 2.532 -2.935 1.00 0.00 N ATOM 796 CA ILE A 53 -3.976 3.198 -2.388 1.00 0.00 C ATOM 797 C ILE A 53 -4.163 4.578 -3.020 1.00 0.00 C ATOM 798 O ILE A 53 -5.257 5.141 -2.989 1.00 0.00 O ATOM 799 CB ILE A 53 -3.999 3.283 -0.830 1.00 0.00 C ATOM 800 CG1 ILE A 53 -3.154 2.169 -0.209 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.437 3.191 -0.335 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.229 2.133 1.300 1.00 0.00 C ATOM 0 H ILE A 53 -2.034 2.388 -2.266 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.822 2.565 -2.655 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.572 4.239 -0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.483 1.209 -0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.115 2.299 -0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.452 3.250 0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.018 4.014 -0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.871 2.243 -0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.607 1.320 1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.872 3.080 1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.262 1.973 1.609 1.00 0.00 H new ATOM 814 N GLU A 54 -3.096 5.106 -3.623 1.00 0.00 N ATOM 815 CA GLU A 54 -3.155 6.405 -4.283 1.00 0.00 C ATOM 816 C GLU A 54 -3.702 6.277 -5.704 1.00 0.00 C ATOM 817 O GLU A 54 -4.341 7.195 -6.219 1.00 0.00 O ATOM 818 CB GLU A 54 -1.762 7.039 -4.327 1.00 0.00 C ATOM 819 CG GLU A 54 -1.756 8.463 -4.861 1.00 0.00 C ATOM 820 CD GLU A 54 -1.181 8.558 -6.260 1.00 0.00 C ATOM 821 OE1 GLU A 54 -1.851 8.100 -7.209 1.00 0.00 O ATOM 822 OE2 GLU A 54 -0.062 9.092 -6.408 1.00 0.00 O ATOM 0 H GLU A 54 -2.183 4.652 -3.666 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.828 7.042 -3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.339 7.035 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.112 6.424 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.775 8.850 -4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.176 9.096 -4.190 1.00 0.00 H new ATOM 829 N ASP A 55 -3.429 5.140 -6.339 1.00 0.00 N ATOM 830 CA ASP A 55 -3.855 4.905 -7.716 1.00 0.00 C ATOM 831 C ASP A 55 -5.308 4.447 -7.792 1.00 0.00 C ATOM 832 O ASP A 55 -6.065 4.901 -8.651 1.00 0.00 O ATOM 833 CB ASP A 55 -2.950 3.860 -8.371 1.00 0.00 C ATOM 834 CG ASP A 55 -1.784 4.486 -9.109 1.00 0.00 C ATOM 835 OD1 ASP A 55 -0.991 5.206 -8.465 1.00 0.00 O ATOM 836 OD2 ASP A 55 -1.662 4.256 -10.330 1.00 0.00 O ATOM 0 H ASP A 55 -2.914 4.365 -5.921 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.775 5.851 -8.251 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.571 3.182 -7.607 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.537 3.260 -9.067 1.00 0.00 H new ATOM 841 N GLN A 56 -5.693 3.539 -6.901 1.00 0.00 N ATOM 842 CA GLN A 56 -7.052 3.008 -6.892 1.00 0.00 C ATOM 843 C GLN A 56 -8.085 4.128 -6.789 1.00 0.00 C ATOM 844 O GLN A 56 -9.251 3.941 -7.136 1.00 0.00 O ATOM 845 CB GLN A 56 -7.234 2.033 -5.725 1.00 0.00 C ATOM 846 CG GLN A 56 -7.039 0.573 -6.106 1.00 0.00 C ATOM 847 CD GLN A 56 -5.593 0.129 -5.997 1.00 0.00 C ATOM 848 OE1 GLN A 56 -4.967 0.269 -4.947 1.00 0.00 O ATOM 849 NE2 GLN A 56 -5.058 -0.415 -7.084 1.00 0.00 N ATOM 0 H GLN A 56 -5.085 3.156 -6.177 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.208 2.481 -7.833 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.527 2.290 -4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -8.234 2.160 -5.311 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.657 -0.052 -5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.386 0.419 -7.128 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.615 -0.511 -7.933 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.090 -0.737 -7.070 1.00 0.00 H new ATOM 858 N GLY A 57 -7.651 5.292 -6.317 1.00 0.00 N ATOM 859 CA GLY A 57 -8.558 6.412 -6.165 1.00 0.00 C ATOM 860 C GLY A 57 -8.590 6.922 -4.741 1.00 0.00 C ATOM 861 O GLY A 57 -8.834 8.104 -4.500 1.00 0.00 O ATOM 0 H GLY A 57 -6.688 5.479 -6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.255 7.218 -6.833 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.561 6.110 -6.465 1.00 0.00 H new ATOM 865 N GLY A 58 -8.334 6.024 -3.797 1.00 0.00 N ATOM 866 CA GLY A 58 -8.326 6.400 -2.399 1.00 0.00 C ATOM 867 C GLY A 58 -8.666 5.246 -1.486 1.00 0.00 C ATOM 868 O GLY A 58 -9.360 4.314 -1.878 1.00 0.00 O ATOM 0 H GLY A 58 -8.132 5.041 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.342 6.789 -2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.041 7.208 -2.240 1.00 0.00 H new ATOM 872 N LEU A 59 -8.158 5.310 -0.264 1.00 0.00 N ATOM 873 CA LEU A 59 -8.380 4.266 0.726 1.00 0.00 C ATOM 874 C LEU A 59 -9.861 4.165 1.091 1.00 0.00 C ATOM 875 O LEU A 59 -10.472 3.105 0.953 1.00 0.00 O ATOM 876 CB LEU A 59 -7.547 4.612 1.954 1.00 0.00 C ATOM 877 CG LEU A 59 -8.026 4.043 3.288 1.00 0.00 C ATOM 878 CD1 LEU A 59 -6.852 3.837 4.232 1.00 0.00 C ATOM 879 CD2 LEU A 59 -9.055 4.977 3.904 1.00 0.00 C ATOM 0 H LEU A 59 -7.583 6.084 0.068 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.083 3.298 0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.528 4.266 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.505 5.698 2.042 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.492 3.073 3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.212 3.431 5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.143 3.140 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.358 4.792 4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.394 4.568 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.605 5.956 4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.905 5.078 3.229 1.00 0.00 H new ATOM 891 N GLU A 60 -10.440 5.284 1.514 1.00 0.00 N ATOM 892 CA GLU A 60 -11.865 5.335 1.811 1.00 0.00 C ATOM 893 C GLU A 60 -12.640 5.294 0.503 1.00 0.00 C ATOM 894 O GLU A 60 -13.755 4.780 0.430 1.00 0.00 O ATOM 895 CB GLU A 60 -12.208 6.605 2.592 1.00 0.00 C ATOM 896 CG GLU A 60 -12.102 7.876 1.765 1.00 0.00 C ATOM 897 CD GLU A 60 -12.770 9.064 2.431 1.00 0.00 C ATOM 898 OE1 GLU A 60 -13.983 9.264 2.208 1.00 0.00 O ATOM 899 OE2 GLU A 60 -12.081 9.793 3.174 1.00 0.00 O ATOM 0 H GLU A 60 -9.945 6.164 1.658 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.138 4.479 2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.222 6.519 2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.542 6.684 3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.051 8.105 1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.557 7.709 0.789 1.00 0.00 H new ATOM 906 N ALA A 61 -12.000 5.816 -0.535 1.00 0.00 N ATOM 907 CA ALA A 61 -12.543 5.813 -1.874 1.00 0.00 C ATOM 908 C ALA A 61 -12.625 4.383 -2.401 1.00 0.00 C ATOM 909 O ALA A 61 -13.484 4.057 -3.221 1.00 0.00 O ATOM 910 CB ALA A 61 -11.658 6.681 -2.754 1.00 0.00 C ATOM 0 H ALA A 61 -11.082 6.255 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.554 6.220 -1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.053 6.691 -3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.640 7.698 -2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.645 6.278 -2.762 1.00 0.00 H new ATOM 916 N VAL A 62 -11.742 3.525 -1.890 1.00 0.00 N ATOM 917 CA VAL A 62 -11.735 2.113 -2.252 1.00 0.00 C ATOM 918 C VAL A 62 -12.951 1.427 -1.633 1.00 0.00 C ATOM 919 O VAL A 62 -13.595 0.592 -2.268 1.00 0.00 O ATOM 920 CB VAL A 62 -10.419 1.422 -1.795 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.556 -0.098 -1.718 1.00 0.00 C ATOM 922 CG2 VAL A 62 -9.279 1.797 -2.729 1.00 0.00 C ATOM 0 H VAL A 62 -11.019 3.788 -1.220 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.787 2.027 -3.337 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.200 1.778 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.610 -0.533 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -11.338 -0.357 -1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.818 -0.490 -2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.363 1.308 -2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.518 1.475 -3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.138 2.878 -2.715 1.00 0.00 H new ATOM 932 N ARG A 63 -13.273 1.810 -0.399 1.00 0.00 N ATOM 933 CA ARG A 63 -14.439 1.264 0.285 1.00 0.00 C ATOM 934 C ARG A 63 -15.664 1.385 -0.608 1.00 0.00 C ATOM 935 O ARG A 63 -16.562 0.544 -0.573 1.00 0.00 O ATOM 936 CB ARG A 63 -14.684 1.998 1.604 1.00 0.00 C ATOM 937 CG ARG A 63 -13.659 1.684 2.681 1.00 0.00 C ATOM 938 CD ARG A 63 -14.214 1.958 4.069 1.00 0.00 C ATOM 939 NE ARG A 63 -14.653 3.344 4.218 1.00 0.00 N ATOM 940 CZ ARG A 63 -15.523 3.747 5.139 1.00 0.00 C ATOM 941 NH1 ARG A 63 -16.045 2.874 5.991 1.00 0.00 N ATOM 942 NH2 ARG A 63 -15.872 5.024 5.210 1.00 0.00 N ATOM 0 H ARG A 63 -12.745 2.493 0.144 1.00 0.00 H new ATOM 0 HA ARG A 63 -14.252 0.213 0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.683 3.072 1.417 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -15.676 1.740 1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -13.359 0.639 2.607 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -12.764 2.285 2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -15.052 1.289 4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.451 1.737 4.815 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.270 4.041 3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.779 1.891 5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -16.712 3.186 6.696 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.473 5.699 4.557 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -16.540 5.332 5.917 1.00 0.00 H new ATOM 956 N GLN A 64 -15.676 2.431 -1.428 1.00 0.00 N ATOM 957 CA GLN A 64 -16.773 2.652 -2.361 1.00 0.00 C ATOM 958 C GLN A 64 -16.718 1.636 -3.496 1.00 0.00 C ATOM 959 O GLN A 64 -17.748 1.233 -4.034 1.00 0.00 O ATOM 960 CB GLN A 64 -16.715 4.073 -2.924 1.00 0.00 C ATOM 961 CG GLN A 64 -17.096 5.142 -1.915 1.00 0.00 C ATOM 962 CD GLN A 64 -16.336 6.438 -2.120 1.00 0.00 C ATOM 963 OE1 GLN A 64 -16.214 6.928 -3.243 1.00 0.00 O ATOM 964 NE2 GLN A 64 -15.819 6.998 -1.034 1.00 0.00 N ATOM 0 H GLN A 64 -14.940 3.137 -1.465 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.713 2.526 -1.824 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.706 4.270 -3.287 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.382 4.142 -3.783 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -18.166 5.338 -1.986 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -16.906 4.770 -0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.945 6.556 -0.123 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.295 7.870 -1.110 1.00 0.00 H new ATOM 973 N GLU A 65 -15.503 1.220 -3.848 1.00 0.00 N ATOM 974 CA GLU A 65 -15.306 0.243 -4.912 1.00 0.00 C ATOM 975 C GLU A 65 -15.440 -1.180 -4.379 1.00 0.00 C ATOM 976 O GLU A 65 -16.131 -2.012 -4.968 1.00 0.00 O ATOM 977 CB GLU A 65 -13.932 0.428 -5.557 1.00 0.00 C ATOM 978 CG GLU A 65 -13.600 -0.631 -6.597 1.00 0.00 C ATOM 979 CD GLU A 65 -12.874 -0.061 -7.799 1.00 0.00 C ATOM 980 OE1 GLU A 65 -12.682 1.171 -7.848 1.00 0.00 O ATOM 981 OE2 GLU A 65 -12.495 -0.849 -8.692 1.00 0.00 O ATOM 0 H GLU A 65 -14.641 1.546 -3.411 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.079 0.405 -5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.889 1.411 -6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.169 0.412 -4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.984 -1.405 -6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -14.521 -1.111 -6.928 1.00 0.00 H new ATOM 988 N MET A 66 -14.770 -1.456 -3.263 1.00 0.00 N ATOM 989 CA MET A 66 -14.813 -2.782 -2.652 1.00 0.00 C ATOM 990 C MET A 66 -16.250 -3.270 -2.507 1.00 0.00 C ATOM 991 O MET A 66 -16.526 -4.464 -2.619 1.00 0.00 O ATOM 992 CB MET A 66 -14.129 -2.761 -1.283 1.00 0.00 C ATOM 993 CG MET A 66 -12.773 -3.450 -1.267 1.00 0.00 C ATOM 994 SD MET A 66 -12.834 -5.087 -0.512 1.00 0.00 S ATOM 995 CE MET A 66 -11.235 -5.148 0.294 1.00 0.00 C ATOM 0 H MET A 66 -14.192 -0.780 -2.764 1.00 0.00 H new ATOM 0 HA MET A 66 -14.279 -3.471 -3.306 1.00 0.00 H new ATOM 0 HB2 MET A 66 -14.005 -1.726 -0.965 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.780 -3.243 -0.554 1.00 0.00 H new ATOM 0 HG2 MET A 66 -12.403 -3.539 -2.288 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.061 -2.830 -0.723 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.716 -6.061 0.004 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.643 -4.283 -0.006 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.372 -5.137 1.375 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.835 -7.170 -6.496 1.00 0.00 N ATOM 1182 CA LEU A 81 -8.273 -5.919 -5.998 1.00 0.00 C ATOM 1183 C LEU A 81 -7.116 -6.192 -5.046 1.00 0.00 C ATOM 1184 O LEU A 81 -6.133 -5.450 -5.018 1.00 0.00 O ATOM 1185 CB LEU A 81 -9.353 -5.100 -5.289 1.00 0.00 C ATOM 1186 CG LEU A 81 -8.850 -3.846 -4.574 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -8.093 -2.947 -5.540 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -10.010 -3.095 -3.940 1.00 0.00 C ATOM 0 HA LEU A 81 -7.896 -5.349 -6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.104 -4.805 -6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.853 -5.739 -4.561 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.165 -4.151 -3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.743 -2.060 -5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.239 -3.488 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.754 -2.648 -6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.635 -2.205 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.720 -2.801 -4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.509 -3.740 -3.216 1.00 0.00 H new ATOM 1200 N VAL A 82 -7.237 -7.264 -4.270 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.196 -7.643 -3.323 1.00 0.00 C ATOM 1202 C VAL A 82 -5.017 -8.290 -4.042 1.00 0.00 C ATOM 1203 O VAL A 82 -3.859 -7.995 -3.747 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.732 -8.617 -2.258 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -5.653 -8.935 -1.233 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -7.967 -8.041 -1.582 1.00 0.00 C ATOM 0 H VAL A 82 -8.046 -7.885 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.864 -6.729 -2.830 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.016 -9.546 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.050 -9.625 -0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.800 -9.393 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.335 -8.015 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.332 -8.743 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.712 -7.097 -1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.744 -7.870 -2.328 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.321 -9.171 -4.990 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.278 -9.838 -5.743 1.00 0.00 C ATOM 1218 C GLY A 83 -3.405 -8.861 -6.504 1.00 0.00 C ATOM 1219 O GLY A 83 -2.239 -9.142 -6.781 1.00 0.00 O ATOM 0 H GLY A 83 -6.272 -9.434 -5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.658 -10.422 -5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.731 -10.540 -6.444 1.00 0.00 H new ATOM 1223 N ALA A 84 -3.971 -7.705 -6.838 1.00 0.00 N ATOM 1224 CA ALA A 84 -3.238 -6.677 -7.565 1.00 0.00 C ATOM 1225 C ALA A 84 -2.116 -6.099 -6.710 1.00 0.00 C ATOM 1226 O ALA A 84 -1.063 -5.722 -7.222 1.00 0.00 O ATOM 1227 CB ALA A 84 -4.184 -5.574 -8.019 1.00 0.00 C ATOM 0 H ALA A 84 -4.935 -7.458 -6.616 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.789 -7.137 -8.445 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.622 -4.813 -8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.947 -5.996 -8.673 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.661 -5.122 -7.149 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.351 -6.034 -5.403 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.357 -5.509 -4.474 1.00 0.00 C ATOM 1235 C LEU A 85 -0.228 -6.513 -4.267 1.00 0.00 C ATOM 1236 O LEU A 85 0.899 -6.137 -3.944 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.009 -5.173 -3.131 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.511 -3.884 -2.474 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.266 -3.616 -1.182 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -0.014 -3.963 -2.214 1.00 0.00 C ATOM 0 H LEU A 85 -3.220 -6.338 -4.964 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.938 -4.599 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.086 -5.096 -3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.839 -6.002 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.698 -3.055 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.898 -2.695 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.330 -3.515 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.113 -4.446 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.323 -3.038 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.196 -4.802 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.512 -4.105 -3.158 1.00 0.00 H new ATOM 1252 N MET A 86 -0.539 -7.791 -4.457 1.00 0.00 N ATOM 1253 CA MET A 86 0.449 -8.850 -4.296 1.00 0.00 C ATOM 1254 C MET A 86 1.592 -8.683 -5.293 1.00 0.00 C ATOM 1255 O MET A 86 2.755 -8.910 -4.963 1.00 0.00 O ATOM 1256 CB MET A 86 -0.209 -10.219 -4.483 1.00 0.00 C ATOM 1257 CG MET A 86 -1.116 -10.621 -3.332 1.00 0.00 C ATOM 1258 SD MET A 86 -1.695 -12.324 -3.466 1.00 0.00 S ATOM 1259 CE MET A 86 -3.431 -12.121 -3.071 1.00 0.00 C ATOM 0 H MET A 86 -1.468 -8.118 -4.723 1.00 0.00 H new ATOM 0 HA MET A 86 0.857 -8.784 -3.288 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.789 -10.211 -5.406 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.569 -10.973 -4.602 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.580 -10.497 -2.391 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.975 -9.951 -3.300 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.675 -12.714 -2.190 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.638 -11.070 -2.870 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.037 -12.456 -3.913 1.00 0.00 H new ATOM 1269 N HIS A 87 1.250 -8.283 -6.515 1.00 0.00 N ATOM 1270 CA HIS A 87 2.248 -8.080 -7.559 1.00 0.00 C ATOM 1271 C HIS A 87 3.130 -6.878 -7.239 1.00 0.00 C ATOM 1272 O HIS A 87 4.343 -6.913 -7.446 1.00 0.00 O ATOM 1273 CB HIS A 87 1.565 -7.880 -8.913 1.00 0.00 C ATOM 1274 CG HIS A 87 1.142 -9.159 -9.567 1.00 0.00 C ATOM 1275 ND1 HIS A 87 1.396 -9.448 -10.892 1.00 0.00 N ATOM 1276 CD2 HIS A 87 0.479 -10.231 -9.071 1.00 0.00 C ATOM 1277 CE1 HIS A 87 0.907 -10.640 -11.182 1.00 0.00 C ATOM 1278 NE2 HIS A 87 0.345 -11.135 -10.096 1.00 0.00 N ATOM 0 H HIS A 87 0.291 -8.094 -6.805 1.00 0.00 H new ATOM 0 HA HIS A 87 2.877 -8.969 -7.605 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.690 -7.244 -8.779 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.246 -7.349 -9.579 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.122 -10.352 -8.059 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.958 -11.127 -12.145 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -0.115 -12.043 -10.029 1.00 0.00 H new ATOM 1287 N VAL A 88 2.513 -5.818 -6.729 1.00 0.00 N ATOM 1288 CA VAL A 88 3.243 -4.607 -6.369 1.00 0.00 C ATOM 1289 C VAL A 88 4.158 -4.851 -5.172 1.00 0.00 C ATOM 1290 O VAL A 88 5.114 -4.107 -4.950 1.00 0.00 O ATOM 1291 CB VAL A 88 2.284 -3.448 -6.041 1.00 0.00 C ATOM 1292 CG1 VAL A 88 3.067 -2.187 -5.708 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.327 -3.200 -7.197 1.00 0.00 C ATOM 0 H VAL A 88 1.509 -5.772 -6.555 1.00 0.00 H new ATOM 0 HA VAL A 88 3.847 -4.334 -7.234 1.00 0.00 H new ATOM 0 HB VAL A 88 1.695 -3.725 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.373 -1.378 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.706 -2.373 -4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.683 -1.905 -6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.658 -2.377 -6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.895 -2.945 -8.091 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.741 -4.100 -7.384 1.00 0.00 H new ATOM 1303 N MET A 89 3.861 -5.894 -4.402 1.00 0.00 N ATOM 1304 CA MET A 89 4.667 -6.235 -3.238 1.00 0.00 C ATOM 1305 C MET A 89 5.958 -6.923 -3.665 1.00 0.00 C ATOM 1306 O MET A 89 6.980 -6.829 -2.985 1.00 0.00 O ATOM 1307 CB MET A 89 3.880 -7.143 -2.292 1.00 0.00 C ATOM 1308 CG MET A 89 3.429 -6.447 -1.018 1.00 0.00 C ATOM 1309 SD MET A 89 4.799 -6.071 0.090 1.00 0.00 S ATOM 1310 CE MET A 89 5.159 -4.380 -0.380 1.00 0.00 C ATOM 0 H MET A 89 3.069 -6.516 -4.564 1.00 0.00 H new ATOM 0 HA MET A 89 4.918 -5.313 -2.714 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.005 -7.528 -2.815 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.497 -8.002 -2.028 1.00 0.00 H new ATOM 0 HG2 MET A 89 2.912 -5.523 -1.277 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.710 -7.080 -0.498 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.018 -4.364 -1.051 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.294 -3.951 -0.887 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.384 -3.795 0.511 1.00 0.00 H new ATOM 1320 N GLN A 90 5.905 -7.607 -4.802 1.00 0.00 N ATOM 1321 CA GLN A 90 7.072 -8.300 -5.331 1.00 0.00 C ATOM 1322 C GLN A 90 8.217 -7.322 -5.564 1.00 0.00 C ATOM 1323 O GLN A 90 9.388 -7.701 -5.533 1.00 0.00 O ATOM 1324 CB GLN A 90 6.720 -9.014 -6.638 1.00 0.00 C ATOM 1325 CG GLN A 90 5.707 -10.133 -6.465 1.00 0.00 C ATOM 1326 CD GLN A 90 6.335 -11.414 -5.952 1.00 0.00 C ATOM 1327 OE1 GLN A 90 7.537 -11.470 -5.696 1.00 0.00 O ATOM 1328 NE2 GLN A 90 5.520 -12.452 -5.801 1.00 0.00 N ATOM 0 H GLN A 90 5.066 -7.696 -5.375 1.00 0.00 H new ATOM 0 HA GLN A 90 7.390 -9.041 -4.598 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.326 -8.285 -7.346 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.631 -9.424 -7.075 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.930 -9.811 -5.772 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.220 -10.329 -7.421 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.529 -12.360 -6.026 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.885 -13.341 -5.460 1.00 0.00 H new ATOM 1337 N LYS A 91 7.870 -6.061 -5.795 1.00 0.00 N ATOM 1338 CA LYS A 91 8.864 -5.022 -6.028 1.00 0.00 C ATOM 1339 C LYS A 91 9.903 -5.004 -4.911 1.00 0.00 C ATOM 1340 O LYS A 91 11.097 -4.841 -5.163 1.00 0.00 O ATOM 1341 CB LYS A 91 8.185 -3.655 -6.131 1.00 0.00 C ATOM 1342 CG LYS A 91 8.616 -2.851 -7.346 1.00 0.00 C ATOM 1343 CD LYS A 91 8.073 -3.451 -8.633 1.00 0.00 C ATOM 1344 CE LYS A 91 8.044 -2.428 -9.757 1.00 0.00 C ATOM 1345 NZ LYS A 91 6.890 -2.641 -10.673 1.00 0.00 N ATOM 0 H LYS A 91 6.904 -5.734 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 91 9.371 -5.241 -6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.105 -3.797 -6.164 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.403 -3.081 -5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.266 -1.824 -7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.704 -2.814 -7.392 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.690 -4.300 -8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.067 -3.833 -8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.991 -1.425 -9.334 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.973 -2.486 -10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.907 -1.923 -11.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.954 -3.588 -11.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.002 -2.561 -10.137 1.00 0.00 H new ATOM 1359 N ARG A 92 9.440 -5.176 -3.678 1.00 0.00 N ATOM 1360 CA ARG A 92 10.329 -5.183 -2.522 1.00 0.00 C ATOM 1361 C ARG A 92 11.096 -6.498 -2.436 1.00 0.00 C ATOM 1362 O ARG A 92 12.304 -6.510 -2.198 1.00 0.00 O ATOM 1363 CB ARG A 92 9.529 -4.960 -1.237 1.00 0.00 C ATOM 1364 CG ARG A 92 10.393 -4.891 0.012 1.00 0.00 C ATOM 1365 CD ARG A 92 11.096 -3.549 0.129 1.00 0.00 C ATOM 1366 NE ARG A 92 12.384 -3.544 -0.560 1.00 0.00 N ATOM 1367 CZ ARG A 92 13.199 -2.495 -0.590 1.00 0.00 C ATOM 1368 NH1 ARG A 92 12.861 -1.373 0.030 1.00 0.00 N ATOM 1369 NH2 ARG A 92 14.353 -2.568 -1.238 1.00 0.00 N ATOM 0 H ARG A 92 8.454 -5.312 -3.453 1.00 0.00 H new ATOM 0 HA ARG A 92 11.047 -4.371 -2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.962 -4.034 -1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.805 -5.767 -1.124 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.774 -5.057 0.894 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.134 -5.690 -0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.459 -2.769 -0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.247 -3.309 1.182 1.00 0.00 H new ATOM 0 HE ARG A 92 12.674 -4.393 -1.045 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.974 -1.314 0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.488 -0.568 0.006 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.617 -3.430 -1.715 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.977 -1.762 -1.260 1.00 0.00 H new ATOM 1383 N SER A 93 10.387 -7.605 -2.634 1.00 0.00 N ATOM 1384 CA SER A 93 11.001 -8.925 -2.583 1.00 0.00 C ATOM 1385 C SER A 93 12.224 -8.992 -3.492 1.00 0.00 C ATOM 1386 O SER A 93 13.314 -9.362 -3.057 1.00 0.00 O ATOM 1387 CB SER A 93 9.988 -9.997 -2.992 1.00 0.00 C ATOM 1388 OG SER A 93 8.821 -9.930 -2.191 1.00 0.00 O ATOM 0 H SER A 93 9.386 -7.613 -2.831 1.00 0.00 H new ATOM 0 HA SER A 93 11.322 -9.110 -1.558 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.721 -9.867 -4.041 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.441 -10.984 -2.898 1.00 0.00 H new ATOM 0 HG SER A 93 8.190 -10.624 -2.474 1.00 0.00 H new