USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 593 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 12 LYS NZ :NH3+ 141:sc= 1.3 (180deg=1.12) USER MOD Single : A 15 LYS NZ :NH3+ -172:sc=-0.00149 (180deg=-0.0523) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 20 SER OG : rot -151:sc= 0.986 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 23 ASN : amide:sc= -0.0995 K(o=-0.099,f=-2.2!) USER MOD Single : A 30 ASN : amide:sc= -1.25! K(o=-1.2!,f=-0.035) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 41 HIS : no HD1:sc= -0.0912 K(o=-0.091,f=-1.4) USER MOD Single : A 51 HIS : no HE2:sc= -0.176 K(o=-0.18,f=-2) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 58 CYS SG : rot 85:sc= 0.968 USER MOD Single : A 61 SER OG : rot 47:sc= 1.23 USER MOD Single : A 63 MET CE :methyl 168:sc= -0.0131 (180deg=-0.241) USER MOD Single : A 73 THR OG1 : rot 78:sc= 0.723 USER MOD Single : A 79 SER OG : rot 75:sc= 0.529 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 CYS SG : rot 39:sc= 0.05 USER MOD Single : A 86 MET CE :methyl -164:sc= -0.0284 (180deg=-0.329) USER MOD ----------------------------------------------------------------- ATOM 148 N ASP A 10 -8.698 8.836 8.729 1.00 0.00 N ATOM 149 CA ASP A 10 -8.108 7.512 8.587 1.00 0.00 C ATOM 150 C ASP A 10 -9.207 6.461 8.507 1.00 0.00 C ATOM 151 O ASP A 10 -9.811 6.094 9.514 1.00 0.00 O ATOM 152 CB ASP A 10 -7.161 7.202 9.748 1.00 0.00 C ATOM 153 CG ASP A 10 -6.549 5.816 9.645 1.00 0.00 C ATOM 154 OD1 ASP A 10 -5.631 5.624 8.815 1.00 0.00 O ATOM 155 OD2 ASP A 10 -6.972 4.918 10.402 1.00 0.00 O ATOM 0 HA ASP A 10 -7.526 7.493 7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.365 7.946 9.772 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.705 7.287 10.689 1.00 0.00 H new ATOM 160 N VAL A 11 -9.471 5.996 7.298 1.00 0.00 N ATOM 161 CA VAL A 11 -10.523 5.028 7.063 1.00 0.00 C ATOM 162 C VAL A 11 -9.950 3.633 7.189 1.00 0.00 C ATOM 163 O VAL A 11 -8.865 3.362 6.679 1.00 0.00 O ATOM 164 CB VAL A 11 -11.150 5.210 5.663 1.00 0.00 C ATOM 165 CG1 VAL A 11 -12.278 4.213 5.438 1.00 0.00 C ATOM 166 CG2 VAL A 11 -11.649 6.636 5.481 1.00 0.00 C ATOM 0 H VAL A 11 -8.965 6.278 6.458 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.307 5.180 7.805 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.377 5.019 4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.703 4.362 4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.888 3.198 5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.052 4.364 6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.087 6.744 4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.403 6.857 6.237 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.815 7.330 5.587 1.00 0.00 H new ATOM 176 N LYS A 12 -10.650 2.760 7.888 1.00 0.00 N ATOM 177 CA LYS A 12 -10.158 1.413 8.097 1.00 0.00 C ATOM 178 C LYS A 12 -10.567 0.501 6.947 1.00 0.00 C ATOM 179 O LYS A 12 -11.604 0.711 6.314 1.00 0.00 O ATOM 180 CB LYS A 12 -10.664 0.845 9.432 1.00 0.00 C ATOM 181 CG LYS A 12 -9.882 1.309 10.655 1.00 0.00 C ATOM 182 CD LYS A 12 -9.914 2.819 10.819 1.00 0.00 C ATOM 183 CE LYS A 12 -9.173 3.259 12.069 1.00 0.00 C ATOM 184 NZ LYS A 12 -9.017 4.734 12.129 1.00 0.00 N ATOM 0 H LYS A 12 -11.554 2.957 8.317 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.069 1.458 8.132 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.710 1.125 9.558 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.629 -0.243 9.386 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.295 0.840 11.548 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.847 0.977 10.570 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.466 3.291 9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.948 3.159 10.870 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.713 2.915 12.951 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.190 2.789 12.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.148 5.057 13.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.065 4.996 11.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.729 5.183 11.518 1.00 0.00 H new ATOM 198 N TRP A 13 -9.746 -0.502 6.682 1.00 0.00 N ATOM 199 CA TRP A 13 -10.018 -1.473 5.634 1.00 0.00 C ATOM 200 C TRP A 13 -10.934 -2.571 6.148 1.00 0.00 C ATOM 201 O TRP A 13 -11.039 -2.790 7.355 1.00 0.00 O ATOM 202 CB TRP A 13 -8.717 -2.094 5.122 1.00 0.00 C ATOM 203 CG TRP A 13 -8.312 -1.600 3.772 1.00 0.00 C ATOM 204 CD1 TRP A 13 -9.025 -1.716 2.615 1.00 0.00 C ATOM 205 CD2 TRP A 13 -7.093 -0.934 3.429 1.00 0.00 C ATOM 206 NE1 TRP A 13 -8.333 -1.150 1.575 1.00 0.00 N ATOM 207 CE2 TRP A 13 -7.142 -0.663 2.049 1.00 0.00 C ATOM 208 CE3 TRP A 13 -5.971 -0.531 4.156 1.00 0.00 C ATOM 209 CZ2 TRP A 13 -6.108 -0.012 1.382 1.00 0.00 C ATOM 210 CZ3 TRP A 13 -4.945 0.113 3.493 1.00 0.00 C ATOM 211 CH2 TRP A 13 -5.020 0.369 2.117 1.00 0.00 C ATOM 0 H TRP A 13 -8.874 -0.666 7.186 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.510 -0.951 4.814 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.918 -1.882 5.833 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -8.831 -3.177 5.085 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -9.994 -2.185 2.530 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -8.652 -1.100 0.607 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.907 -0.720 5.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.163 0.185 0.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -4.070 0.425 4.044 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.202 0.877 1.628 1.00 0.00 H new ATOM 222 N GLU A 14 -11.602 -3.248 5.229 1.00 0.00 N ATOM 223 CA GLU A 14 -12.434 -4.385 5.581 1.00 0.00 C ATOM 224 C GLU A 14 -11.555 -5.611 5.750 1.00 0.00 C ATOM 225 O GLU A 14 -11.502 -6.221 6.818 1.00 0.00 O ATOM 226 CB GLU A 14 -13.476 -4.650 4.496 1.00 0.00 C ATOM 227 CG GLU A 14 -14.312 -3.434 4.131 1.00 0.00 C ATOM 228 CD GLU A 14 -14.985 -2.812 5.334 1.00 0.00 C ATOM 229 OE1 GLU A 14 -15.962 -3.397 5.847 1.00 0.00 O ATOM 230 OE2 GLU A 14 -14.544 -1.733 5.774 1.00 0.00 O ATOM 0 H GLU A 14 -11.584 -3.029 4.233 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.955 -4.165 6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.970 -5.012 3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.140 -5.447 4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.676 -2.691 3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -15.070 -3.723 3.404 1.00 0.00 H new ATOM 237 N LYS A 15 -10.860 -5.955 4.675 1.00 0.00 N ATOM 238 CA LYS A 15 -9.910 -7.050 4.693 1.00 0.00 C ATOM 239 C LYS A 15 -8.516 -6.516 4.991 1.00 0.00 C ATOM 240 O LYS A 15 -8.061 -5.562 4.355 1.00 0.00 O ATOM 241 CB LYS A 15 -9.915 -7.786 3.352 1.00 0.00 C ATOM 242 CG LYS A 15 -11.243 -8.452 3.024 1.00 0.00 C ATOM 243 CD LYS A 15 -11.594 -9.530 4.039 1.00 0.00 C ATOM 244 CE LYS A 15 -12.878 -10.254 3.663 1.00 0.00 C ATOM 245 NZ LYS A 15 -14.063 -9.358 3.697 1.00 0.00 N ATOM 0 H LYS A 15 -10.940 -5.485 3.773 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.200 -7.754 5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.667 -7.080 2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.131 -8.543 3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.032 -7.701 3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.194 -8.891 2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.777 -10.248 4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.705 -9.080 5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.774 -10.677 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.036 -11.087 4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.928 -9.921 3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.102 -8.869 4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.989 -8.656 2.933 1.00 0.00 H new ATOM 259 N PRO A 16 -7.836 -7.120 5.972 1.00 0.00 N ATOM 260 CA PRO A 16 -6.493 -6.704 6.393 1.00 0.00 C ATOM 261 C PRO A 16 -5.464 -6.795 5.266 1.00 0.00 C ATOM 262 O PRO A 16 -5.514 -7.701 4.431 1.00 0.00 O ATOM 263 CB PRO A 16 -6.142 -7.683 7.520 1.00 0.00 C ATOM 264 CG PRO A 16 -7.073 -8.835 7.343 1.00 0.00 C ATOM 265 CD PRO A 16 -8.329 -8.264 6.752 1.00 0.00 C ATOM 0 HA PRO A 16 -6.479 -5.659 6.701 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.102 -8.003 7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.271 -7.220 8.498 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.640 -9.589 6.686 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.277 -9.322 8.297 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.845 -8.989 6.123 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.033 -7.953 7.524 1.00 0.00 H new ATOM 273 N VAL A 17 -4.542 -5.841 5.241 1.00 0.00 N ATOM 274 CA VAL A 17 -3.497 -5.814 4.227 1.00 0.00 C ATOM 275 C VAL A 17 -2.147 -6.156 4.851 1.00 0.00 C ATOM 276 O VAL A 17 -1.596 -5.376 5.627 1.00 0.00 O ATOM 277 CB VAL A 17 -3.414 -4.433 3.538 1.00 0.00 C ATOM 278 CG1 VAL A 17 -2.342 -4.429 2.457 1.00 0.00 C ATOM 279 CG2 VAL A 17 -4.763 -4.050 2.952 1.00 0.00 C ATOM 0 H VAL A 17 -4.497 -5.075 5.913 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.750 -6.559 3.472 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.139 -3.693 4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.303 -3.446 1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.374 -4.656 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.580 -5.182 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.687 -3.075 2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.065 -4.795 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.506 -4.005 3.748 1.00 0.00 H new ATOM 289 N THR A 18 -1.633 -7.331 4.522 1.00 0.00 N ATOM 290 CA THR A 18 -0.376 -7.802 5.085 1.00 0.00 C ATOM 291 C THR A 18 0.784 -7.562 4.122 1.00 0.00 C ATOM 292 O THR A 18 0.854 -8.166 3.050 1.00 0.00 O ATOM 293 CB THR A 18 -0.463 -9.301 5.424 1.00 0.00 C ATOM 294 OG1 THR A 18 -1.677 -9.562 6.141 1.00 0.00 O ATOM 295 CG2 THR A 18 0.728 -9.735 6.265 1.00 0.00 C ATOM 0 H THR A 18 -2.069 -7.979 3.865 1.00 0.00 H new ATOM 0 HA THR A 18 -0.192 -7.237 5.999 1.00 0.00 H new ATOM 0 HB THR A 18 -0.455 -9.867 4.493 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.732 -10.517 6.355 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.645 -10.798 6.492 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.650 -9.553 5.712 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.744 -9.165 7.194 1.00 0.00 H new ATOM 303 N ILE A 19 1.680 -6.666 4.506 1.00 0.00 N ATOM 304 CA ILE A 19 2.862 -6.366 3.716 1.00 0.00 C ATOM 305 C ILE A 19 4.072 -7.099 4.278 1.00 0.00 C ATOM 306 O ILE A 19 4.489 -6.849 5.409 1.00 0.00 O ATOM 307 CB ILE A 19 3.149 -4.847 3.685 1.00 0.00 C ATOM 308 CG1 ILE A 19 2.054 -4.115 2.911 1.00 0.00 C ATOM 309 CG2 ILE A 19 4.514 -4.561 3.072 1.00 0.00 C ATOM 310 CD1 ILE A 19 2.058 -4.414 1.429 1.00 0.00 C ATOM 0 H ILE A 19 1.608 -6.129 5.370 1.00 0.00 H new ATOM 0 HA ILE A 19 2.671 -6.702 2.697 1.00 0.00 H new ATOM 0 HB ILE A 19 3.156 -4.482 4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.083 -4.387 3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.173 -3.041 3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.690 -3.485 3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.288 -5.050 3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.542 -4.942 2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.254 -3.860 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.015 -4.115 1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.908 -5.482 1.273 1.00 0.00 H new ATOM 322 N SER A 20 4.617 -8.015 3.498 1.00 0.00 N ATOM 323 CA SER A 20 5.805 -8.741 3.900 1.00 0.00 C ATOM 324 C SER A 20 7.058 -7.997 3.455 1.00 0.00 C ATOM 325 O SER A 20 7.507 -8.130 2.315 1.00 0.00 O ATOM 326 CB SER A 20 5.779 -10.146 3.310 1.00 0.00 C ATOM 327 OG SER A 20 5.358 -10.117 1.956 1.00 0.00 O ATOM 0 H SER A 20 4.254 -8.273 2.581 1.00 0.00 H new ATOM 0 HA SER A 20 5.821 -8.818 4.987 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.771 -10.592 3.377 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.106 -10.777 3.891 1.00 0.00 H new ATOM 0 HG SER A 20 4.909 -10.960 1.735 1.00 0.00 H new ATOM 333 N LEU A 21 7.610 -7.191 4.349 1.00 0.00 N ATOM 334 CA LEU A 21 8.795 -6.412 4.024 1.00 0.00 C ATOM 335 C LEU A 21 10.035 -7.291 4.022 1.00 0.00 C ATOM 336 O LEU A 21 10.041 -8.381 4.599 1.00 0.00 O ATOM 337 CB LEU A 21 8.965 -5.246 4.999 1.00 0.00 C ATOM 338 CG LEU A 21 7.888 -4.169 4.895 1.00 0.00 C ATOM 339 CD1 LEU A 21 8.085 -3.112 5.970 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.910 -3.540 3.508 1.00 0.00 C ATOM 0 H LEU A 21 7.260 -7.060 5.298 1.00 0.00 H new ATOM 0 HA LEU A 21 8.664 -6.003 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.971 -5.638 6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.938 -4.786 4.829 1.00 0.00 H new ATOM 0 HG LEU A 21 6.913 -4.631 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.308 -2.353 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.025 -3.578 6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.063 -2.647 5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.138 -2.773 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.886 -3.089 3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.722 -4.308 2.757 1.00 0.00 H new ATOM 352 N GLN A 22 11.097 -6.791 3.404 1.00 0.00 N ATOM 353 CA GLN A 22 12.305 -7.574 3.169 1.00 0.00 C ATOM 354 C GLN A 22 13.136 -7.743 4.439 1.00 0.00 C ATOM 355 O GLN A 22 14.260 -8.248 4.400 1.00 0.00 O ATOM 356 CB GLN A 22 13.123 -6.914 2.063 1.00 0.00 C ATOM 357 CG GLN A 22 12.368 -6.844 0.750 1.00 0.00 C ATOM 358 CD GLN A 22 13.179 -6.244 -0.375 1.00 0.00 C ATOM 359 OE1 GLN A 22 14.044 -5.395 -0.161 1.00 0.00 O ATOM 360 NE2 GLN A 22 12.910 -6.694 -1.587 1.00 0.00 N ATOM 0 H GLN A 22 11.146 -5.835 3.052 1.00 0.00 H new ATOM 0 HA GLN A 22 12.011 -8.576 2.856 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.402 -5.907 2.373 1.00 0.00 H new ATOM 0 HB3 GLN A 22 14.049 -7.471 1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.053 -7.848 0.466 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.462 -6.254 0.891 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.185 -7.399 -1.720 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.428 -6.337 -2.390 1.00 0.00 H new ATOM 369 N ASN A 23 12.574 -7.325 5.563 1.00 0.00 N ATOM 370 CA ASN A 23 13.188 -7.555 6.861 1.00 0.00 C ATOM 371 C ASN A 23 12.661 -8.850 7.453 1.00 0.00 C ATOM 372 O ASN A 23 13.115 -9.299 8.505 1.00 0.00 O ATOM 373 CB ASN A 23 12.889 -6.407 7.831 1.00 0.00 C ATOM 374 CG ASN A 23 13.507 -5.084 7.418 1.00 0.00 C ATOM 375 OD1 ASN A 23 13.626 -4.776 6.234 1.00 0.00 O ATOM 376 ND2 ASN A 23 13.916 -4.300 8.401 1.00 0.00 N ATOM 0 H ASN A 23 11.688 -6.821 5.601 1.00 0.00 H new ATOM 0 HA ASN A 23 14.266 -7.616 6.715 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.809 -6.284 7.913 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.255 -6.675 8.822 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.349 -3.401 8.190 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.798 -4.594 9.371 1.00 0.00 H new ATOM 383 N GLY A 24 11.697 -9.447 6.763 1.00 0.00 N ATOM 384 CA GLY A 24 11.033 -10.621 7.281 1.00 0.00 C ATOM 385 C GLY A 24 9.970 -10.242 8.285 1.00 0.00 C ATOM 386 O GLY A 24 9.891 -10.813 9.370 1.00 0.00 O ATOM 0 H GLY A 24 11.364 -9.135 5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.581 -11.179 6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.764 -11.279 7.751 1.00 0.00 H new ATOM 390 N ALA A 25 9.163 -9.256 7.923 1.00 0.00 N ATOM 391 CA ALA A 25 8.132 -8.746 8.810 1.00 0.00 C ATOM 392 C ALA A 25 6.824 -8.541 8.059 1.00 0.00 C ATOM 393 O ALA A 25 6.734 -7.688 7.174 1.00 0.00 O ATOM 394 CB ALA A 25 8.587 -7.440 9.444 1.00 0.00 C ATOM 0 H ALA A 25 9.204 -8.792 7.016 1.00 0.00 H new ATOM 0 HA ALA A 25 7.961 -9.481 9.597 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.807 -7.066 10.107 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.498 -7.612 10.017 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.782 -6.705 8.663 1.00 0.00 H new ATOM 400 N PRO A 26 5.804 -9.345 8.382 1.00 0.00 N ATOM 401 CA PRO A 26 4.465 -9.179 7.831 1.00 0.00 C ATOM 402 C PRO A 26 3.678 -8.109 8.584 1.00 0.00 C ATOM 403 O PRO A 26 3.073 -8.375 9.625 1.00 0.00 O ATOM 404 CB PRO A 26 3.843 -10.561 8.021 1.00 0.00 C ATOM 405 CG PRO A 26 4.512 -11.120 9.234 1.00 0.00 C ATOM 406 CD PRO A 26 5.886 -10.497 9.300 1.00 0.00 C ATOM 0 HA PRO A 26 4.469 -8.847 6.793 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.764 -10.493 8.161 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.012 -11.194 7.150 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.939 -10.889 10.132 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.582 -12.206 9.171 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.132 -10.182 10.314 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.658 -11.201 8.989 1.00 0.00 H new ATOM 414 N ARG A 27 3.722 -6.891 8.074 1.00 0.00 N ATOM 415 CA ARG A 27 3.022 -5.787 8.707 1.00 0.00 C ATOM 416 C ARG A 27 1.607 -5.690 8.171 1.00 0.00 C ATOM 417 O ARG A 27 1.396 -5.430 6.985 1.00 0.00 O ATOM 418 CB ARG A 27 3.766 -4.467 8.499 1.00 0.00 C ATOM 419 CG ARG A 27 5.154 -4.451 9.123 1.00 0.00 C ATOM 420 CD ARG A 27 5.687 -3.034 9.262 1.00 0.00 C ATOM 421 NE ARG A 27 4.871 -2.229 10.172 1.00 0.00 N ATOM 422 CZ ARG A 27 4.990 -0.909 10.317 1.00 0.00 C ATOM 423 NH1 ARG A 27 5.946 -0.247 9.675 1.00 0.00 N ATOM 424 NH2 ARG A 27 4.177 -0.255 11.135 1.00 0.00 N ATOM 0 H ARG A 27 4.233 -6.642 7.227 1.00 0.00 H new ATOM 0 HA ARG A 27 2.981 -5.980 9.779 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.854 -4.273 7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.176 -3.655 8.923 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.118 -4.925 10.104 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.837 -5.039 8.509 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.713 -3.067 9.628 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.713 -2.559 8.282 1.00 0.00 H new ATOM 0 HE ARG A 27 4.166 -2.709 10.731 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.594 -0.748 9.067 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.032 0.763 9.790 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.460 -0.762 11.654 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.269 0.755 11.245 1.00 0.00 H new ATOM 438 N ILE A 28 0.643 -5.923 9.046 1.00 0.00 N ATOM 439 CA ILE A 28 -0.758 -5.905 8.662 1.00 0.00 C ATOM 440 C ILE A 28 -1.373 -4.548 8.974 1.00 0.00 C ATOM 441 O ILE A 28 -1.440 -4.139 10.134 1.00 0.00 O ATOM 442 CB ILE A 28 -1.558 -7.005 9.390 1.00 0.00 C ATOM 443 CG1 ILE A 28 -0.852 -8.358 9.247 1.00 0.00 C ATOM 444 CG2 ILE A 28 -2.972 -7.079 8.831 1.00 0.00 C ATOM 445 CD1 ILE A 28 -1.539 -9.488 9.984 1.00 0.00 C ATOM 0 H ILE A 28 0.807 -6.128 10.032 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.806 -6.094 7.590 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.615 -6.757 10.450 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.787 -8.613 8.189 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.170 -8.265 9.616 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.529 -7.858 9.351 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.470 -6.120 8.974 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.931 -7.311 7.767 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.980 -10.412 9.835 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.580 -9.256 11.048 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.552 -9.610 9.600 1.00 0.00 H new ATOM 457 N PHE A 29 -1.807 -3.854 7.937 1.00 0.00 N ATOM 458 CA PHE A 29 -2.395 -2.533 8.088 1.00 0.00 C ATOM 459 C PHE A 29 -3.887 -2.637 8.355 1.00 0.00 C ATOM 460 O PHE A 29 -4.545 -3.582 7.911 1.00 0.00 O ATOM 461 CB PHE A 29 -2.148 -1.691 6.834 1.00 0.00 C ATOM 462 CG PHE A 29 -0.695 -1.473 6.539 1.00 0.00 C ATOM 463 CD1 PHE A 29 0.006 -2.369 5.752 1.00 0.00 C ATOM 464 CD2 PHE A 29 -0.028 -0.378 7.057 1.00 0.00 C ATOM 465 CE1 PHE A 29 1.345 -2.178 5.488 1.00 0.00 C ATOM 466 CE2 PHE A 29 1.312 -0.180 6.794 1.00 0.00 C ATOM 467 CZ PHE A 29 2.000 -1.082 6.010 1.00 0.00 C ATOM 0 H PHE A 29 -1.763 -4.186 6.973 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.921 -2.046 8.940 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.615 -2.180 5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.636 -0.724 6.953 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.502 -3.228 5.340 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.562 0.330 7.674 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.881 -2.886 4.873 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.821 0.681 7.202 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.050 -0.931 5.805 1.00 0.00 H new ATOM 477 N ASN A 30 -4.416 -1.669 9.091 1.00 0.00 N ATOM 478 CA ASN A 30 -5.840 -1.634 9.399 1.00 0.00 C ATOM 479 C ASN A 30 -6.489 -0.413 8.771 1.00 0.00 C ATOM 480 O ASN A 30 -7.640 -0.461 8.347 1.00 0.00 O ATOM 481 CB ASN A 30 -6.078 -1.627 10.914 1.00 0.00 C ATOM 482 CG ASN A 30 -5.671 -2.926 11.590 1.00 0.00 C ATOM 483 OD1 ASN A 30 -5.273 -2.928 12.754 1.00 0.00 O ATOM 484 ND2 ASN A 30 -5.775 -4.037 10.871 1.00 0.00 N ATOM 0 H ASN A 30 -3.880 -0.896 9.486 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.293 -2.534 8.983 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.520 -0.803 11.359 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.134 -1.439 11.109 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.520 -4.936 11.281 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.110 -3.992 9.909 1.00 0.00 H new ATOM 491 N GLY A 31 -5.740 0.678 8.705 1.00 0.00 N ATOM 492 CA GLY A 31 -6.262 1.905 8.137 1.00 0.00 C ATOM 493 C GLY A 31 -5.606 2.247 6.817 1.00 0.00 C ATOM 494 O GLY A 31 -4.499 1.789 6.528 1.00 0.00 O ATOM 0 H GLY A 31 -4.777 0.736 9.036 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.338 1.807 7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.108 2.723 8.840 1.00 0.00 H new ATOM 498 N VAL A 32 -6.280 3.052 6.018 1.00 0.00 N ATOM 499 CA VAL A 32 -5.761 3.437 4.717 1.00 0.00 C ATOM 500 C VAL A 32 -4.716 4.543 4.848 1.00 0.00 C ATOM 501 O VAL A 32 -3.720 4.553 4.125 1.00 0.00 O ATOM 502 CB VAL A 32 -6.889 3.902 3.769 1.00 0.00 C ATOM 503 CG1 VAL A 32 -6.336 4.211 2.388 1.00 0.00 C ATOM 504 CG2 VAL A 32 -7.987 2.853 3.680 1.00 0.00 C ATOM 0 H VAL A 32 -7.190 3.453 6.246 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.291 2.552 4.289 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.321 4.815 4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.147 4.537 1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.591 5.003 2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.874 3.316 1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.770 3.202 3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.570 1.921 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.409 2.683 4.671 1.00 0.00 H new ATOM 514 N TYR A 33 -4.919 5.462 5.786 1.00 0.00 N ATOM 515 CA TYR A 33 -4.011 6.594 5.918 1.00 0.00 C ATOM 516 C TYR A 33 -2.690 6.159 6.538 1.00 0.00 C ATOM 517 O TYR A 33 -1.629 6.646 6.154 1.00 0.00 O ATOM 518 CB TYR A 33 -4.627 7.728 6.739 1.00 0.00 C ATOM 519 CG TYR A 33 -3.696 8.912 6.874 1.00 0.00 C ATOM 520 CD1 TYR A 33 -3.380 9.695 5.772 1.00 0.00 C ATOM 521 CD2 TYR A 33 -3.116 9.231 8.092 1.00 0.00 C ATOM 522 CE1 TYR A 33 -2.513 10.762 5.879 1.00 0.00 C ATOM 523 CE2 TYR A 33 -2.251 10.302 8.211 1.00 0.00 C ATOM 524 CZ TYR A 33 -1.948 11.063 7.101 1.00 0.00 C ATOM 525 OH TYR A 33 -1.076 12.125 7.215 1.00 0.00 O ATOM 0 H TYR A 33 -5.689 5.447 6.454 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.824 6.972 4.913 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.556 8.051 6.268 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.885 7.357 7.731 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.821 9.464 4.814 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.344 8.633 8.962 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.277 11.359 5.010 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.814 10.542 9.169 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.771 12.199 8.143 1.00 0.00 H new ATOM 535 N GLU A 34 -2.755 5.239 7.490 1.00 0.00 N ATOM 536 CA GLU A 34 -1.543 4.698 8.096 1.00 0.00 C ATOM 537 C GLU A 34 -0.716 3.945 7.053 1.00 0.00 C ATOM 538 O GLU A 34 0.508 3.870 7.152 1.00 0.00 O ATOM 539 CB GLU A 34 -1.882 3.791 9.283 1.00 0.00 C ATOM 540 CG GLU A 34 -2.945 2.754 8.976 1.00 0.00 C ATOM 541 CD GLU A 34 -3.244 1.843 10.148 1.00 0.00 C ATOM 542 OE1 GLU A 34 -3.698 2.342 11.198 1.00 0.00 O ATOM 543 OE2 GLU A 34 -3.024 0.618 10.023 1.00 0.00 O ATOM 0 H GLU A 34 -3.625 4.853 7.858 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.947 5.530 8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.975 3.282 9.610 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.219 4.408 10.115 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.862 3.261 8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.621 2.150 8.128 1.00 0.00 H new ATOM 550 N ALA A 35 -1.393 3.400 6.047 1.00 0.00 N ATOM 551 CA ALA A 35 -0.713 2.761 4.929 1.00 0.00 C ATOM 552 C ALA A 35 -0.130 3.815 3.996 1.00 0.00 C ATOM 553 O ALA A 35 1.004 3.697 3.542 1.00 0.00 O ATOM 554 CB ALA A 35 -1.668 1.847 4.177 1.00 0.00 C ATOM 0 H ALA A 35 -2.411 3.389 5.984 1.00 0.00 H new ATOM 0 HA ALA A 35 0.104 2.153 5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.143 1.378 3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.041 1.076 4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.505 2.431 3.795 1.00 0.00 H new ATOM 560 N PHE A 36 -0.922 4.847 3.724 1.00 0.00 N ATOM 561 CA PHE A 36 -0.480 5.988 2.921 1.00 0.00 C ATOM 562 C PHE A 36 0.784 6.613 3.516 1.00 0.00 C ATOM 563 O PHE A 36 1.750 6.894 2.803 1.00 0.00 O ATOM 564 CB PHE A 36 -1.606 7.027 2.847 1.00 0.00 C ATOM 565 CG PHE A 36 -1.242 8.292 2.121 1.00 0.00 C ATOM 566 CD1 PHE A 36 -1.231 8.335 0.737 1.00 0.00 C ATOM 567 CD2 PHE A 36 -0.921 9.441 2.826 1.00 0.00 C ATOM 568 CE1 PHE A 36 -0.903 9.500 0.070 1.00 0.00 C ATOM 569 CE2 PHE A 36 -0.593 10.607 2.164 1.00 0.00 C ATOM 570 CZ PHE A 36 -0.585 10.636 0.783 1.00 0.00 C ATOM 0 H PHE A 36 -1.885 4.919 4.051 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.242 5.642 1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.467 6.576 2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.915 7.281 3.861 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.481 7.449 0.173 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.928 9.424 3.906 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.896 9.520 -1.010 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.343 11.495 2.725 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.330 11.547 0.263 1.00 0.00 H new ATOM 580 N ASP A 37 0.765 6.812 4.827 1.00 0.00 N ATOM 581 CA ASP A 37 1.910 7.360 5.551 1.00 0.00 C ATOM 582 C ASP A 37 3.119 6.440 5.416 1.00 0.00 C ATOM 583 O ASP A 37 4.244 6.897 5.193 1.00 0.00 O ATOM 584 CB ASP A 37 1.547 7.544 7.027 1.00 0.00 C ATOM 585 CG ASP A 37 2.706 8.048 7.861 1.00 0.00 C ATOM 586 OD1 ASP A 37 2.998 9.264 7.805 1.00 0.00 O ATOM 587 OD2 ASP A 37 3.329 7.234 8.574 1.00 0.00 O ATOM 0 H ASP A 37 -0.039 6.600 5.418 1.00 0.00 H new ATOM 0 HA ASP A 37 2.167 8.328 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.717 8.245 7.107 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.201 6.593 7.432 1.00 0.00 H new ATOM 592 N PHE A 38 2.869 5.141 5.539 1.00 0.00 N ATOM 593 CA PHE A 38 3.901 4.124 5.366 1.00 0.00 C ATOM 594 C PHE A 38 4.537 4.227 3.981 1.00 0.00 C ATOM 595 O PHE A 38 5.763 4.214 3.846 1.00 0.00 O ATOM 596 CB PHE A 38 3.281 2.736 5.568 1.00 0.00 C ATOM 597 CG PHE A 38 4.172 1.583 5.193 1.00 0.00 C ATOM 598 CD1 PHE A 38 5.187 1.171 6.039 1.00 0.00 C ATOM 599 CD2 PHE A 38 3.980 0.901 3.998 1.00 0.00 C ATOM 600 CE1 PHE A 38 5.993 0.102 5.703 1.00 0.00 C ATOM 601 CE2 PHE A 38 4.785 -0.166 3.657 1.00 0.00 C ATOM 602 CZ PHE A 38 5.793 -0.565 4.510 1.00 0.00 C ATOM 0 H PHE A 38 1.948 4.764 5.761 1.00 0.00 H new ATOM 0 HA PHE A 38 4.685 4.283 6.106 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.996 2.630 6.615 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.365 2.674 4.980 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.350 1.691 6.971 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.191 1.210 3.328 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.780 -0.213 6.373 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.627 -0.688 2.725 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.426 -1.399 4.245 1.00 0.00 H new ATOM 612 N LEU A 39 3.691 4.355 2.966 1.00 0.00 N ATOM 613 CA LEU A 39 4.137 4.440 1.578 1.00 0.00 C ATOM 614 C LEU A 39 5.102 5.601 1.368 1.00 0.00 C ATOM 615 O LEU A 39 6.103 5.472 0.661 1.00 0.00 O ATOM 616 CB LEU A 39 2.932 4.610 0.653 1.00 0.00 C ATOM 617 CG LEU A 39 1.939 3.449 0.650 1.00 0.00 C ATOM 618 CD1 LEU A 39 0.681 3.827 -0.114 1.00 0.00 C ATOM 619 CD2 LEU A 39 2.576 2.209 0.045 1.00 0.00 C ATOM 0 H LEU A 39 2.679 4.403 3.080 1.00 0.00 H new ATOM 0 HA LEU A 39 4.661 3.514 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.402 5.519 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.294 4.759 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 39 1.662 3.228 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.015 2.988 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.214 4.691 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.941 4.073 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.856 1.391 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.879 2.419 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.450 1.926 0.631 1.00 0.00 H new ATOM 631 N GLN A 40 4.791 6.735 1.979 1.00 0.00 N ATOM 632 CA GLN A 40 5.626 7.920 1.851 1.00 0.00 C ATOM 633 C GLN A 40 6.972 7.721 2.529 1.00 0.00 C ATOM 634 O GLN A 40 8.016 8.067 1.970 1.00 0.00 O ATOM 635 CB GLN A 40 4.931 9.140 2.457 1.00 0.00 C ATOM 636 CG GLN A 40 3.773 9.665 1.630 1.00 0.00 C ATOM 637 CD GLN A 40 3.114 10.873 2.263 1.00 0.00 C ATOM 638 OE1 GLN A 40 3.057 11.001 3.487 1.00 0.00 O ATOM 639 NE2 GLN A 40 2.638 11.786 1.432 1.00 0.00 N ATOM 0 H GLN A 40 3.967 6.859 2.568 1.00 0.00 H new ATOM 0 HA GLN A 40 5.789 8.089 0.787 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.566 8.881 3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.664 9.937 2.584 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.131 9.929 0.635 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.033 8.875 1.503 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.705 11.643 0.424 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.205 12.633 1.799 1.00 0.00 H new ATOM 648 N HIS A 41 6.946 7.151 3.724 1.00 0.00 N ATOM 649 CA HIS A 41 8.152 7.034 4.529 1.00 0.00 C ATOM 650 C HIS A 41 9.067 5.938 4.020 1.00 0.00 C ATOM 651 O HIS A 41 10.277 6.142 3.914 1.00 0.00 O ATOM 652 CB HIS A 41 7.816 6.790 6.000 1.00 0.00 C ATOM 653 CG HIS A 41 7.104 7.938 6.642 1.00 0.00 C ATOM 654 ND1 HIS A 41 7.387 9.257 6.360 1.00 0.00 N ATOM 655 CD2 HIS A 41 6.101 7.958 7.541 1.00 0.00 C ATOM 656 CE1 HIS A 41 6.587 10.034 7.062 1.00 0.00 C ATOM 657 NE2 HIS A 41 5.792 9.272 7.786 1.00 0.00 N ATOM 0 H HIS A 41 6.107 6.764 4.156 1.00 0.00 H new ATOM 0 HA HIS A 41 8.679 7.984 4.442 1.00 0.00 H new ATOM 0 HB2 HIS A 41 7.197 5.896 6.081 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.737 6.590 6.548 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.627 7.097 7.988 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.583 11.114 7.047 1.00 0.00 H new ATOM 0 HE2 HIS A 41 5.067 9.604 8.423 1.00 0.00 H new ATOM 666 N GLU A 42 8.508 4.784 3.691 1.00 0.00 N ATOM 667 CA GLU A 42 9.338 3.662 3.300 1.00 0.00 C ATOM 668 C GLU A 42 8.569 2.629 2.485 1.00 0.00 C ATOM 669 O GLU A 42 8.138 1.599 3.004 1.00 0.00 O ATOM 670 CB GLU A 42 9.950 3.021 4.545 1.00 0.00 C ATOM 671 CG GLU A 42 11.107 2.083 4.260 1.00 0.00 C ATOM 672 CD GLU A 42 11.909 1.795 5.507 1.00 0.00 C ATOM 673 OE1 GLU A 42 12.815 2.594 5.825 1.00 0.00 O ATOM 674 OE2 GLU A 42 11.624 0.789 6.184 1.00 0.00 O ATOM 0 H GLU A 42 7.504 4.604 3.687 1.00 0.00 H new ATOM 0 HA GLU A 42 10.131 4.041 2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.294 3.810 5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.173 2.470 5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.726 1.149 3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.756 2.524 3.503 1.00 0.00 H new ATOM 681 N TRP A 43 8.364 2.937 1.215 1.00 0.00 N ATOM 682 CA TRP A 43 7.879 1.954 0.266 1.00 0.00 C ATOM 683 C TRP A 43 9.015 1.589 -0.684 1.00 0.00 C ATOM 684 O TRP A 43 9.551 2.462 -1.363 1.00 0.00 O ATOM 685 CB TRP A 43 6.679 2.504 -0.509 1.00 0.00 C ATOM 686 CG TRP A 43 6.054 1.510 -1.445 1.00 0.00 C ATOM 687 CD1 TRP A 43 5.970 1.605 -2.804 1.00 0.00 C ATOM 688 CD2 TRP A 43 5.427 0.270 -1.090 1.00 0.00 C ATOM 689 NE1 TRP A 43 5.334 0.501 -3.317 1.00 0.00 N ATOM 690 CE2 TRP A 43 4.987 -0.333 -2.283 1.00 0.00 C ATOM 691 CE3 TRP A 43 5.192 -0.388 0.124 1.00 0.00 C ATOM 692 CZ2 TRP A 43 4.332 -1.563 -2.298 1.00 0.00 C ATOM 693 CZ3 TRP A 43 4.542 -1.607 0.105 1.00 0.00 C ATOM 694 CH2 TRP A 43 4.117 -2.183 -1.098 1.00 0.00 C ATOM 0 H TRP A 43 8.527 3.863 0.819 1.00 0.00 H new ATOM 0 HA TRP A 43 7.549 1.061 0.797 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.925 2.844 0.201 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.996 3.377 -1.080 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.349 2.429 -3.391 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.150 0.329 -4.305 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.513 0.050 1.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.006 -2.011 -3.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.359 -2.125 1.035 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.609 -3.136 -1.078 1.00 0.00 H new ATOM 705 N PRO A 44 9.407 0.298 -0.717 1.00 0.00 N ATOM 706 CA PRO A 44 10.545 -0.194 -1.512 1.00 0.00 C ATOM 707 C PRO A 44 10.579 0.341 -2.950 1.00 0.00 C ATOM 708 O PRO A 44 11.652 0.575 -3.504 1.00 0.00 O ATOM 709 CB PRO A 44 10.372 -1.724 -1.506 1.00 0.00 C ATOM 710 CG PRO A 44 9.081 -1.999 -0.800 1.00 0.00 C ATOM 711 CD PRO A 44 8.785 -0.793 0.043 1.00 0.00 C ATOM 0 HA PRO A 44 11.487 0.146 -1.082 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.350 -2.117 -2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.205 -2.207 -0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.279 -2.177 -1.516 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.161 -2.893 -0.182 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.713 -0.640 0.167 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.211 -0.884 1.042 1.00 0.00 H new ATOM 719 N ALA A 45 9.411 0.529 -3.552 1.00 0.00 N ATOM 720 CA ALA A 45 9.337 1.117 -4.884 1.00 0.00 C ATOM 721 C ALA A 45 9.438 2.637 -4.790 1.00 0.00 C ATOM 722 O ALA A 45 8.464 3.313 -4.446 1.00 0.00 O ATOM 723 CB ALA A 45 8.050 0.703 -5.584 1.00 0.00 C ATOM 0 H ALA A 45 8.509 0.285 -3.143 1.00 0.00 H new ATOM 0 HA ALA A 45 10.174 0.748 -5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.015 1.153 -6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.019 -0.383 -5.676 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.194 1.042 -5.001 1.00 0.00 H new ATOM 729 N ARG A 46 10.620 3.165 -5.080 1.00 0.00 N ATOM 730 CA ARG A 46 10.891 4.586 -4.904 1.00 0.00 C ATOM 731 C ARG A 46 10.779 5.346 -6.221 1.00 0.00 C ATOM 732 O ARG A 46 11.781 5.560 -6.902 1.00 0.00 O ATOM 733 CB ARG A 46 12.299 4.797 -4.339 1.00 0.00 C ATOM 734 CG ARG A 46 12.596 4.030 -3.062 1.00 0.00 C ATOM 735 CD ARG A 46 14.070 4.138 -2.708 1.00 0.00 C ATOM 736 NE ARG A 46 14.423 3.363 -1.522 1.00 0.00 N ATOM 737 CZ ARG A 46 15.281 2.346 -1.529 1.00 0.00 C ATOM 738 NH1 ARG A 46 15.832 1.940 -2.667 1.00 0.00 N ATOM 739 NH2 ARG A 46 15.581 1.731 -0.395 1.00 0.00 N ATOM 0 H ARG A 46 11.409 2.628 -5.440 1.00 0.00 H new ATOM 0 HA ARG A 46 10.145 4.969 -4.208 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.026 4.507 -5.097 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.443 5.861 -4.149 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.990 4.423 -2.245 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.322 2.983 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.668 3.795 -3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.324 5.185 -2.542 1.00 0.00 H new ATOM 0 HE ARG A 46 13.986 3.616 -0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.598 2.408 -3.542 1.00 0.00 H new ATOM 0 HH12 ARG A 46 16.489 1.160 -2.666 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.155 2.037 0.480 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.238 0.951 -0.396 1.00 0.00 H new ATOM 753 N GLY A 47 9.571 5.718 -6.608 1.00 0.00 N ATOM 754 CA GLY A 47 9.424 6.625 -7.731 1.00 0.00 C ATOM 755 C GLY A 47 8.531 6.109 -8.839 1.00 0.00 C ATOM 756 O GLY A 47 7.985 6.897 -9.613 1.00 0.00 O ATOM 0 H GLY A 47 8.699 5.415 -6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.022 7.571 -7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.411 6.835 -8.144 1.00 0.00 H new ATOM 760 N ASP A 48 8.379 4.794 -8.925 1.00 0.00 N ATOM 761 CA ASP A 48 7.646 4.180 -10.032 1.00 0.00 C ATOM 762 C ASP A 48 6.152 4.490 -9.945 1.00 0.00 C ATOM 763 O ASP A 48 5.653 4.921 -8.903 1.00 0.00 O ATOM 764 CB ASP A 48 7.873 2.661 -10.049 1.00 0.00 C ATOM 765 CG ASP A 48 7.299 1.991 -11.288 1.00 0.00 C ATOM 766 OD1 ASP A 48 6.117 1.589 -11.260 1.00 0.00 O ATOM 767 OD2 ASP A 48 8.022 1.876 -12.299 1.00 0.00 O ATOM 0 H ASP A 48 8.751 4.131 -8.245 1.00 0.00 H new ATOM 0 HA ASP A 48 8.026 4.604 -10.961 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.943 2.458 -9.995 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.419 2.221 -9.161 1.00 0.00 H new ATOM 772 N ARG A 49 5.457 4.279 -11.058 1.00 0.00 N ATOM 773 CA ARG A 49 4.010 4.440 -11.131 1.00 0.00 C ATOM 774 C ARG A 49 3.320 3.646 -10.032 1.00 0.00 C ATOM 775 O ARG A 49 2.320 4.091 -9.476 1.00 0.00 O ATOM 776 CB ARG A 49 3.504 3.978 -12.497 1.00 0.00 C ATOM 777 CG ARG A 49 3.995 4.833 -13.651 1.00 0.00 C ATOM 778 CD ARG A 49 4.432 3.981 -14.827 1.00 0.00 C ATOM 779 NE ARG A 49 5.630 3.203 -14.518 1.00 0.00 N ATOM 780 CZ ARG A 49 6.666 3.079 -15.346 1.00 0.00 C ATOM 781 NH1 ARG A 49 6.610 3.596 -16.571 1.00 0.00 N ATOM 782 NH2 ARG A 49 7.751 2.423 -14.953 1.00 0.00 N ATOM 0 H ARG A 49 5.884 3.990 -11.938 1.00 0.00 H new ATOM 0 HA ARG A 49 3.775 5.496 -10.994 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.818 2.947 -12.661 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.414 3.982 -12.491 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.202 5.511 -13.966 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.829 5.451 -13.318 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.623 3.307 -15.108 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.626 4.621 -15.687 1.00 0.00 H new ATOM 0 HE ARG A 49 5.675 2.728 -13.617 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.772 4.089 -16.879 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.405 3.499 -17.202 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.790 2.015 -14.019 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.546 2.327 -15.585 1.00 0.00 H new ATOM 796 N ALA A 50 3.866 2.473 -9.717 1.00 0.00 N ATOM 797 CA ALA A 50 3.330 1.639 -8.648 1.00 0.00 C ATOM 798 C ALA A 50 3.301 2.410 -7.330 1.00 0.00 C ATOM 799 O ALA A 50 2.368 2.278 -6.538 1.00 0.00 O ATOM 800 CB ALA A 50 4.154 0.367 -8.504 1.00 0.00 C ATOM 0 H ALA A 50 4.680 2.080 -10.189 1.00 0.00 H new ATOM 0 HA ALA A 50 2.308 1.362 -8.906 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.741 -0.245 -7.702 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.126 -0.193 -9.439 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.186 0.627 -8.268 1.00 0.00 H new ATOM 806 N HIS A 51 4.322 3.231 -7.113 1.00 0.00 N ATOM 807 CA HIS A 51 4.391 4.071 -5.926 1.00 0.00 C ATOM 808 C HIS A 51 3.361 5.191 -6.028 1.00 0.00 C ATOM 809 O HIS A 51 2.623 5.454 -5.080 1.00 0.00 O ATOM 810 CB HIS A 51 5.804 4.655 -5.766 1.00 0.00 C ATOM 811 CG HIS A 51 5.988 5.517 -4.546 1.00 0.00 C ATOM 812 ND1 HIS A 51 6.593 5.069 -3.394 1.00 0.00 N ATOM 813 CD2 HIS A 51 5.652 6.809 -4.311 1.00 0.00 C ATOM 814 CE1 HIS A 51 6.617 6.042 -2.503 1.00 0.00 C ATOM 815 NE2 HIS A 51 6.055 7.112 -3.036 1.00 0.00 N ATOM 0 H HIS A 51 5.115 3.332 -7.746 1.00 0.00 H new ATOM 0 HA HIS A 51 4.169 3.465 -5.048 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.520 3.834 -5.727 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.042 5.245 -6.651 1.00 0.00 H new ATOM 0 HD1 HIS A 51 6.965 4.130 -3.251 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.158 7.477 -5.001 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.027 5.975 -1.506 1.00 0.00 H new ATOM 824 N GLU A 52 3.315 5.842 -7.187 1.00 0.00 N ATOM 825 CA GLU A 52 2.395 6.957 -7.410 1.00 0.00 C ATOM 826 C GLU A 52 0.939 6.536 -7.228 1.00 0.00 C ATOM 827 O GLU A 52 0.169 7.222 -6.547 1.00 0.00 O ATOM 828 CB GLU A 52 2.590 7.547 -8.805 1.00 0.00 C ATOM 829 CG GLU A 52 3.909 8.275 -8.984 1.00 0.00 C ATOM 830 CD GLU A 52 3.970 9.022 -10.296 1.00 0.00 C ATOM 831 OE1 GLU A 52 3.049 9.819 -10.566 1.00 0.00 O ATOM 832 OE2 GLU A 52 4.941 8.830 -11.058 1.00 0.00 O ATOM 0 H GLU A 52 3.905 5.617 -7.988 1.00 0.00 H new ATOM 0 HA GLU A 52 2.625 7.716 -6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.526 6.745 -9.540 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.773 8.238 -9.014 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.051 8.976 -8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.728 7.558 -8.937 1.00 0.00 H new ATOM 839 N GLN A 53 0.569 5.410 -7.832 1.00 0.00 N ATOM 840 CA GLN A 53 -0.800 4.911 -7.748 1.00 0.00 C ATOM 841 C GLN A 53 -1.184 4.637 -6.305 1.00 0.00 C ATOM 842 O GLN A 53 -2.245 5.058 -5.850 1.00 0.00 O ATOM 843 CB GLN A 53 -0.974 3.629 -8.564 1.00 0.00 C ATOM 844 CG GLN A 53 -0.671 3.785 -10.041 1.00 0.00 C ATOM 845 CD GLN A 53 -0.958 2.519 -10.823 1.00 0.00 C ATOM 846 OE1 GLN A 53 -0.879 1.412 -10.287 1.00 0.00 O ATOM 847 NE2 GLN A 53 -1.279 2.669 -12.096 1.00 0.00 N ATOM 0 H GLN A 53 1.197 4.827 -8.384 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.451 5.683 -8.158 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.324 2.858 -8.151 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.999 3.276 -8.450 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.266 4.603 -10.447 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.376 4.058 -10.168 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.334 3.603 -12.502 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.472 1.850 -12.673 1.00 0.00 H new ATOM 856 N ALA A 54 -0.304 3.936 -5.594 1.00 0.00 N ATOM 857 CA ALA A 54 -0.559 3.541 -4.213 1.00 0.00 C ATOM 858 C ALA A 54 -0.961 4.737 -3.358 1.00 0.00 C ATOM 859 O ALA A 54 -1.973 4.696 -2.663 1.00 0.00 O ATOM 860 CB ALA A 54 0.667 2.857 -3.627 1.00 0.00 C ATOM 0 H ALA A 54 0.599 3.628 -5.956 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.392 2.837 -4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.464 2.567 -2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.904 1.969 -4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.513 3.544 -3.651 1.00 0.00 H new ATOM 866 N LEU A 55 -0.176 5.805 -3.432 1.00 0.00 N ATOM 867 CA LEU A 55 -0.443 7.006 -2.647 1.00 0.00 C ATOM 868 C LEU A 55 -1.762 7.660 -3.054 1.00 0.00 C ATOM 869 O LEU A 55 -2.599 7.969 -2.205 1.00 0.00 O ATOM 870 CB LEU A 55 0.696 8.023 -2.790 1.00 0.00 C ATOM 871 CG LEU A 55 1.901 7.809 -1.867 1.00 0.00 C ATOM 872 CD1 LEU A 55 2.630 6.518 -2.199 1.00 0.00 C ATOM 873 CD2 LEU A 55 2.850 8.992 -1.954 1.00 0.00 C ATOM 0 H LEU A 55 0.650 5.865 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.515 6.694 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.045 8.006 -3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.294 9.019 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 55 1.530 7.729 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.479 6.396 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.949 5.675 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.985 6.555 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.701 8.825 -1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.203 9.101 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.328 9.900 -1.652 1.00 0.00 H new ATOM 885 N ARG A 56 -1.952 7.852 -4.352 1.00 0.00 N ATOM 886 CA ARG A 56 -3.111 8.584 -4.846 1.00 0.00 C ATOM 887 C ARG A 56 -4.400 7.800 -4.611 1.00 0.00 C ATOM 888 O ARG A 56 -5.434 8.379 -4.277 1.00 0.00 O ATOM 889 CB ARG A 56 -2.946 8.912 -6.331 1.00 0.00 C ATOM 890 CG ARG A 56 -3.907 9.981 -6.823 1.00 0.00 C ATOM 891 CD ARG A 56 -3.574 10.426 -8.236 1.00 0.00 C ATOM 892 NE ARG A 56 -4.324 11.620 -8.620 1.00 0.00 N ATOM 893 CZ ARG A 56 -4.127 12.294 -9.752 1.00 0.00 C ATOM 894 NH1 ARG A 56 -3.210 11.890 -10.622 1.00 0.00 N ATOM 895 NH2 ARG A 56 -4.847 13.377 -10.006 1.00 0.00 N ATOM 0 H ARG A 56 -1.322 7.513 -5.079 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.180 9.518 -4.289 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.923 9.243 -6.511 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.095 8.004 -6.915 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.926 9.596 -6.793 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.871 10.840 -6.153 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.506 10.628 -8.311 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.795 9.618 -8.933 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.043 11.959 -7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.652 11.059 -10.426 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.064 12.410 -11.487 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.549 13.692 -9.336 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.699 13.896 -10.872 1.00 0.00 H new ATOM 909 N LEU A 57 -4.332 6.485 -4.769 1.00 0.00 N ATOM 910 CA LEU A 57 -5.497 5.635 -4.558 1.00 0.00 C ATOM 911 C LEU A 57 -5.868 5.579 -3.080 1.00 0.00 C ATOM 912 O LEU A 57 -7.050 5.576 -2.731 1.00 0.00 O ATOM 913 CB LEU A 57 -5.246 4.227 -5.102 1.00 0.00 C ATOM 914 CG LEU A 57 -5.076 4.145 -6.623 1.00 0.00 C ATOM 915 CD1 LEU A 57 -4.734 2.727 -7.050 1.00 0.00 C ATOM 916 CD2 LEU A 57 -6.343 4.616 -7.324 1.00 0.00 C ATOM 0 H LEU A 57 -3.486 5.985 -5.042 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.335 6.070 -5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.351 3.824 -4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.077 3.586 -4.809 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.253 4.799 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.618 2.691 -8.133 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.803 2.418 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.536 2.053 -6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.207 4.552 -8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.180 3.985 -7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.550 5.649 -7.045 1.00 0.00 H new ATOM 928 N CYS A 58 -4.860 5.547 -2.213 1.00 0.00 N ATOM 929 CA CYS A 58 -5.097 5.593 -0.776 1.00 0.00 C ATOM 930 C CYS A 58 -5.755 6.914 -0.397 1.00 0.00 C ATOM 931 O CYS A 58 -6.689 6.946 0.402 1.00 0.00 O ATOM 932 CB CYS A 58 -3.793 5.400 0.005 1.00 0.00 C ATOM 933 SG CYS A 58 -3.069 3.754 -0.169 1.00 0.00 S ATOM 0 H CYS A 58 -3.877 5.490 -2.480 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.768 4.775 -0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.068 6.142 -0.330 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.982 5.593 1.061 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.347 3.709 -1.249 1.00 0.00 H new ATOM 939 N ARG A 59 -5.280 8.001 -0.996 1.00 0.00 N ATOM 940 CA ARG A 59 -5.870 9.312 -0.767 1.00 0.00 C ATOM 941 C ARG A 59 -7.322 9.341 -1.237 1.00 0.00 C ATOM 942 O ARG A 59 -8.197 9.843 -0.534 1.00 0.00 O ATOM 943 CB ARG A 59 -5.064 10.403 -1.476 1.00 0.00 C ATOM 944 CG ARG A 59 -5.748 11.763 -1.463 1.00 0.00 C ATOM 945 CD ARG A 59 -4.887 12.837 -2.102 1.00 0.00 C ATOM 946 NE ARG A 59 -3.773 13.231 -1.242 1.00 0.00 N ATOM 947 CZ ARG A 59 -2.868 14.145 -1.579 1.00 0.00 C ATOM 948 NH1 ARG A 59 -2.910 14.707 -2.780 1.00 0.00 N ATOM 949 NH2 ARG A 59 -1.919 14.493 -0.720 1.00 0.00 N ATOM 0 H ARG A 59 -4.490 7.999 -1.642 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.848 9.507 0.305 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.088 10.491 -1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.889 10.102 -2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.698 11.696 -1.993 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.976 12.045 -0.435 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.499 12.472 -3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.501 13.710 -2.322 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.685 12.779 -0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.636 14.438 -3.444 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.216 15.408 -3.039 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.882 14.059 0.202 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.226 15.194 -0.982 1.00 0.00 H new ATOM 963 N ALA A 60 -7.575 8.783 -2.418 1.00 0.00 N ATOM 964 CA ALA A 60 -8.925 8.728 -2.970 1.00 0.00 C ATOM 965 C ALA A 60 -9.838 7.881 -2.084 1.00 0.00 C ATOM 966 O ALA A 60 -11.050 8.094 -2.033 1.00 0.00 O ATOM 967 CB ALA A 60 -8.896 8.183 -4.389 1.00 0.00 C ATOM 0 H ALA A 60 -6.861 8.362 -3.012 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.326 9.741 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.910 8.148 -4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.283 8.831 -5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.474 7.178 -4.384 1.00 0.00 H new ATOM 973 N SER A 61 -9.248 6.924 -1.384 1.00 0.00 N ATOM 974 CA SER A 61 -9.988 6.106 -0.440 1.00 0.00 C ATOM 975 C SER A 61 -10.335 6.930 0.799 1.00 0.00 C ATOM 976 O SER A 61 -11.453 6.863 1.306 1.00 0.00 O ATOM 977 CB SER A 61 -9.174 4.867 -0.055 1.00 0.00 C ATOM 978 OG SER A 61 -9.960 3.940 0.674 1.00 0.00 O ATOM 0 H SER A 61 -8.256 6.696 -1.453 1.00 0.00 H new ATOM 0 HA SER A 61 -10.914 5.772 -0.909 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.787 4.390 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.313 5.166 0.543 1.00 0.00 H new ATOM 0 HG SER A 61 -10.819 3.810 0.220 1.00 0.00 H new ATOM 984 N LEU A 62 -9.369 7.726 1.262 1.00 0.00 N ATOM 985 CA LEU A 62 -9.572 8.617 2.405 1.00 0.00 C ATOM 986 C LEU A 62 -10.656 9.645 2.095 1.00 0.00 C ATOM 987 O LEU A 62 -11.467 9.995 2.952 1.00 0.00 O ATOM 988 CB LEU A 62 -8.272 9.353 2.748 1.00 0.00 C ATOM 989 CG LEU A 62 -7.053 8.463 3.004 1.00 0.00 C ATOM 990 CD1 LEU A 62 -5.807 9.314 3.183 1.00 0.00 C ATOM 991 CD2 LEU A 62 -7.270 7.584 4.225 1.00 0.00 C ATOM 0 H LEU A 62 -8.433 7.771 0.860 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.881 8.008 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.036 10.035 1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.445 9.964 3.634 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.916 7.816 2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.948 8.668 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.635 9.902 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.943 9.984 4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.390 6.961 4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.435 8.212 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.141 6.948 4.065 1.00 0.00 H new ATOM 1003 N MET A 63 -10.655 10.123 0.857 1.00 0.00 N ATOM 1004 CA MET A 63 -11.626 11.117 0.412 1.00 0.00 C ATOM 1005 C MET A 63 -13.024 10.509 0.318 1.00 0.00 C ATOM 1006 O MET A 63 -14.023 11.231 0.316 1.00 0.00 O ATOM 1007 CB MET A 63 -11.205 11.702 -0.938 1.00 0.00 C ATOM 1008 CG MET A 63 -9.867 12.423 -0.893 1.00 0.00 C ATOM 1009 SD MET A 63 -9.308 12.984 -2.516 1.00 0.00 S ATOM 1010 CE MET A 63 -10.540 14.226 -2.891 1.00 0.00 C ATOM 0 H MET A 63 -9.989 9.837 0.139 1.00 0.00 H new ATOM 0 HA MET A 63 -11.655 11.920 1.148 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.152 10.899 -1.673 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.972 12.397 -1.280 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.946 13.282 -0.226 1.00 0.00 H new ATOM 0 HG3 MET A 63 -9.117 11.757 -0.467 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.217 14.810 -3.753 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.489 13.740 -3.116 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.665 14.886 -2.032 1.00 0.00 H new ATOM 1020 N GLY A 64 -13.088 9.183 0.243 1.00 0.00 N ATOM 1021 CA GLY A 64 -14.366 8.496 0.242 1.00 0.00 C ATOM 1022 C GLY A 64 -14.818 8.074 -1.141 1.00 0.00 C ATOM 1023 O GLY A 64 -16.012 7.885 -1.378 1.00 0.00 O ATOM 0 H GLY A 64 -12.274 8.571 0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.297 7.614 0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -15.122 9.148 0.681 1.00 0.00 H new ATOM 1027 N ASP A 65 -13.879 7.929 -2.064 1.00 0.00 N ATOM 1028 CA ASP A 65 -14.216 7.501 -3.415 1.00 0.00 C ATOM 1029 C ASP A 65 -13.838 6.047 -3.639 1.00 0.00 C ATOM 1030 O ASP A 65 -14.577 5.297 -4.275 1.00 0.00 O ATOM 1031 CB ASP A 65 -13.544 8.392 -4.457 1.00 0.00 C ATOM 1032 CG ASP A 65 -14.240 9.730 -4.584 1.00 0.00 C ATOM 1033 OD1 ASP A 65 -15.222 9.818 -5.352 1.00 0.00 O ATOM 1034 OD2 ASP A 65 -13.824 10.690 -3.908 1.00 0.00 O ATOM 0 H ASP A 65 -12.886 8.099 -1.905 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.296 7.595 -3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.501 8.549 -4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.547 7.887 -5.423 1.00 0.00 H new ATOM 1039 N VAL A 66 -12.692 5.648 -3.118 1.00 0.00 N ATOM 1040 CA VAL A 66 -12.266 4.262 -3.206 1.00 0.00 C ATOM 1041 C VAL A 66 -12.685 3.514 -1.945 1.00 0.00 C ATOM 1042 O VAL A 66 -12.222 3.822 -0.848 1.00 0.00 O ATOM 1043 CB VAL A 66 -10.741 4.143 -3.406 1.00 0.00 C ATOM 1044 CG1 VAL A 66 -10.323 2.686 -3.493 1.00 0.00 C ATOM 1045 CG2 VAL A 66 -10.306 4.896 -4.652 1.00 0.00 C ATOM 0 H VAL A 66 -12.040 6.262 -2.630 1.00 0.00 H new ATOM 0 HA VAL A 66 -12.749 3.818 -4.077 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.248 4.590 -2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.244 2.625 -3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.598 2.173 -2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.826 2.213 -4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.227 4.801 -4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.810 4.479 -5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.568 5.949 -4.551 1.00 0.00 H new ATOM 1055 N ALA A 67 -13.571 2.543 -2.101 1.00 0.00 N ATOM 1056 CA ALA A 67 -14.125 1.837 -0.958 1.00 0.00 C ATOM 1057 C ALA A 67 -13.441 0.493 -0.720 1.00 0.00 C ATOM 1058 O ALA A 67 -13.821 -0.516 -1.314 1.00 0.00 O ATOM 1059 CB ALA A 67 -15.624 1.647 -1.132 1.00 0.00 C ATOM 0 H ALA A 67 -13.921 2.227 -3.006 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.940 2.451 -0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.026 1.117 -0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -16.107 2.621 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -15.815 1.067 -2.035 1.00 0.00 H new ATOM 1065 N GLY A 68 -12.402 0.513 0.113 1.00 0.00 N ATOM 1066 CA GLY A 68 -11.802 -0.708 0.638 1.00 0.00 C ATOM 1067 C GLY A 68 -11.243 -1.655 -0.414 1.00 0.00 C ATOM 1068 O GLY A 68 -10.061 -1.582 -0.756 1.00 0.00 O ATOM 0 H GLY A 68 -11.956 1.370 0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.999 -0.435 1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.552 -1.241 1.223 1.00 0.00 H new ATOM 1072 N GLU A 69 -12.104 -2.536 -0.914 1.00 0.00 N ATOM 1073 CA GLU A 69 -11.713 -3.642 -1.791 1.00 0.00 C ATOM 1074 C GLU A 69 -10.885 -3.172 -2.984 1.00 0.00 C ATOM 1075 O GLU A 69 -9.878 -3.794 -3.336 1.00 0.00 O ATOM 1076 CB GLU A 69 -12.967 -4.359 -2.295 1.00 0.00 C ATOM 1077 CG GLU A 69 -13.943 -4.736 -1.191 1.00 0.00 C ATOM 1078 CD GLU A 69 -13.361 -5.723 -0.203 1.00 0.00 C ATOM 1079 OE1 GLU A 69 -13.411 -6.939 -0.477 1.00 0.00 O ATOM 1080 OE2 GLU A 69 -12.847 -5.293 0.850 1.00 0.00 O ATOM 0 H GLU A 69 -13.105 -2.504 -0.721 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.092 -4.320 -1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.476 -3.718 -3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.669 -5.262 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.248 -3.835 -0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.841 -5.163 -1.637 1.00 0.00 H new ATOM 1087 N ILE A 70 -11.313 -2.079 -3.603 1.00 0.00 N ATOM 1088 CA ILE A 70 -10.623 -1.542 -4.770 1.00 0.00 C ATOM 1089 C ILE A 70 -9.189 -1.152 -4.412 1.00 0.00 C ATOM 1090 O ILE A 70 -8.243 -1.492 -5.124 1.00 0.00 O ATOM 1091 CB ILE A 70 -11.360 -0.313 -5.371 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -12.711 -0.711 -5.986 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -10.499 0.373 -6.425 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -13.795 -1.021 -4.975 1.00 0.00 C ATOM 0 H ILE A 70 -12.135 -1.547 -3.317 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.612 -2.330 -5.523 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.546 0.383 -4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.054 0.098 -6.631 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -12.563 -1.585 -6.621 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.036 1.230 -6.832 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.567 0.710 -5.971 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.277 -0.330 -7.228 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -14.713 -1.292 -5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -13.478 -1.851 -4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -13.976 -0.143 -4.355 1.00 0.00 H new ATOM 1106 N ALA A 71 -9.036 -0.474 -3.281 1.00 0.00 N ATOM 1107 CA ALA A 71 -7.727 -0.016 -2.829 1.00 0.00 C ATOM 1108 C ALA A 71 -6.841 -1.193 -2.447 1.00 0.00 C ATOM 1109 O ALA A 71 -5.648 -1.199 -2.738 1.00 0.00 O ATOM 1110 CB ALA A 71 -7.875 0.936 -1.651 1.00 0.00 C ATOM 0 H ALA A 71 -9.805 -0.228 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.252 0.516 -3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.889 1.268 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.468 1.799 -1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.374 0.423 -0.829 1.00 0.00 H new ATOM 1116 N ARG A 72 -7.439 -2.198 -1.817 1.00 0.00 N ATOM 1117 CA ARG A 72 -6.694 -3.369 -1.373 1.00 0.00 C ATOM 1118 C ARG A 72 -6.077 -4.097 -2.564 1.00 0.00 C ATOM 1119 O ARG A 72 -4.894 -4.430 -2.558 1.00 0.00 O ATOM 1120 CB ARG A 72 -7.612 -4.324 -0.609 1.00 0.00 C ATOM 1121 CG ARG A 72 -6.879 -5.496 0.027 1.00 0.00 C ATOM 1122 CD ARG A 72 -7.842 -6.603 0.417 1.00 0.00 C ATOM 1123 NE ARG A 72 -8.424 -7.253 -0.758 1.00 0.00 N ATOM 1124 CZ ARG A 72 -9.730 -7.462 -0.934 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -10.604 -7.037 -0.032 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -10.154 -8.078 -2.026 1.00 0.00 N ATOM 0 H ARG A 72 -8.436 -2.225 -1.603 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.895 -3.033 -0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.134 -3.768 0.169 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.371 -4.708 -1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.137 -5.885 -0.670 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.338 -5.154 0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.319 -7.344 1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.638 -6.191 1.037 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.789 -7.567 -1.491 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.279 -6.547 0.802 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.601 -7.200 -0.172 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.483 -8.391 -2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.151 -8.240 -2.165 1.00 0.00 H new ATOM 1140 N THR A 73 -6.888 -4.322 -3.588 1.00 0.00 N ATOM 1141 CA THR A 73 -6.453 -5.055 -4.768 1.00 0.00 C ATOM 1142 C THR A 73 -5.367 -4.291 -5.526 1.00 0.00 C ATOM 1143 O THR A 73 -4.384 -4.876 -5.983 1.00 0.00 O ATOM 1144 CB THR A 73 -7.647 -5.337 -5.700 1.00 0.00 C ATOM 1145 OG1 THR A 73 -8.716 -5.919 -4.939 1.00 0.00 O ATOM 1146 CG2 THR A 73 -7.255 -6.281 -6.827 1.00 0.00 C ATOM 0 H THR A 73 -7.857 -4.005 -3.625 1.00 0.00 H new ATOM 0 HA THR A 73 -6.033 -6.003 -4.433 1.00 0.00 H new ATOM 0 HB THR A 73 -7.969 -4.394 -6.141 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.174 -5.218 -4.430 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.118 -6.461 -7.468 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.454 -5.833 -7.415 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.912 -7.226 -6.407 1.00 0.00 H new ATOM 1154 N ALA A 74 -5.540 -2.978 -5.637 1.00 0.00 N ATOM 1155 CA ALA A 74 -4.566 -2.136 -6.318 1.00 0.00 C ATOM 1156 C ALA A 74 -3.257 -2.078 -5.533 1.00 0.00 C ATOM 1157 O ALA A 74 -2.170 -2.024 -6.114 1.00 0.00 O ATOM 1158 CB ALA A 74 -5.130 -0.741 -6.526 1.00 0.00 C ATOM 0 H ALA A 74 -6.345 -2.475 -5.264 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.355 -2.573 -7.294 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.392 -0.122 -7.036 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.034 -0.801 -7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.370 -0.298 -5.560 1.00 0.00 H new ATOM 1164 N PHE A 75 -3.375 -2.101 -4.210 1.00 0.00 N ATOM 1165 CA PHE A 75 -2.215 -2.097 -3.332 1.00 0.00 C ATOM 1166 C PHE A 75 -1.396 -3.366 -3.555 1.00 0.00 C ATOM 1167 O PHE A 75 -0.181 -3.310 -3.732 1.00 0.00 O ATOM 1168 CB PHE A 75 -2.671 -2.008 -1.870 1.00 0.00 C ATOM 1169 CG PHE A 75 -1.666 -1.383 -0.945 1.00 0.00 C ATOM 1170 CD1 PHE A 75 -0.600 -2.115 -0.450 1.00 0.00 C ATOM 1171 CD2 PHE A 75 -1.798 -0.058 -0.565 1.00 0.00 C ATOM 1172 CE1 PHE A 75 0.316 -1.536 0.409 1.00 0.00 C ATOM 1173 CE2 PHE A 75 -0.885 0.526 0.291 1.00 0.00 C ATOM 1174 CZ PHE A 75 0.173 -0.216 0.779 1.00 0.00 C ATOM 0 H PHE A 75 -4.270 -2.123 -3.721 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.592 -1.232 -3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.596 -1.433 -1.825 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.902 -3.011 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.483 -3.149 -0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.625 0.526 -0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.143 -2.118 0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.998 1.561 0.578 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.887 0.238 1.450 1.00 0.00 H new ATOM 1184 N VAL A 76 -2.084 -4.506 -3.577 1.00 0.00 N ATOM 1185 CA VAL A 76 -1.438 -5.796 -3.808 1.00 0.00 C ATOM 1186 C VAL A 76 -0.747 -5.826 -5.172 1.00 0.00 C ATOM 1187 O VAL A 76 0.345 -6.380 -5.315 1.00 0.00 O ATOM 1188 CB VAL A 76 -2.455 -6.959 -3.715 1.00 0.00 C ATOM 1189 CG1 VAL A 76 -1.790 -8.294 -4.021 1.00 0.00 C ATOM 1190 CG2 VAL A 76 -3.104 -6.996 -2.340 1.00 0.00 C ATOM 0 H VAL A 76 -3.093 -4.562 -3.437 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.688 -5.926 -3.028 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.230 -6.785 -4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.528 -9.093 -3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.377 -8.272 -5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.988 -8.474 -3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.815 -7.821 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.336 -7.138 -1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.626 -6.056 -2.159 1.00 0.00 H new ATOM 1200 N ALA A 77 -1.379 -5.211 -6.167 1.00 0.00 N ATOM 1201 CA ALA A 77 -0.809 -5.137 -7.509 1.00 0.00 C ATOM 1202 C ALA A 77 0.527 -4.393 -7.494 1.00 0.00 C ATOM 1203 O ALA A 77 1.449 -4.735 -8.236 1.00 0.00 O ATOM 1204 CB ALA A 77 -1.789 -4.467 -8.462 1.00 0.00 C ATOM 0 H ALA A 77 -2.287 -4.756 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.623 -6.152 -7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.351 -4.418 -9.459 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.713 -5.044 -8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.006 -3.458 -8.111 1.00 0.00 H new ATOM 1210 N ALA A 78 0.629 -3.391 -6.631 1.00 0.00 N ATOM 1211 CA ALA A 78 1.870 -2.650 -6.465 1.00 0.00 C ATOM 1212 C ALA A 78 2.884 -3.484 -5.689 1.00 0.00 C ATOM 1213 O ALA A 78 4.062 -3.542 -6.046 1.00 0.00 O ATOM 1214 CB ALA A 78 1.609 -1.327 -5.760 1.00 0.00 C ATOM 0 H ALA A 78 -0.135 -3.073 -6.035 1.00 0.00 H new ATOM 0 HA ALA A 78 2.283 -2.436 -7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.548 -0.785 -5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.916 -0.729 -6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.176 -1.517 -4.778 1.00 0.00 H new ATOM 1220 N SER A 79 2.406 -4.143 -4.637 1.00 0.00 N ATOM 1221 CA SER A 79 3.242 -5.001 -3.810 1.00 0.00 C ATOM 1222 C SER A 79 3.837 -6.152 -4.623 1.00 0.00 C ATOM 1223 O SER A 79 4.908 -6.655 -4.297 1.00 0.00 O ATOM 1224 CB SER A 79 2.426 -5.559 -2.644 1.00 0.00 C ATOM 1225 OG SER A 79 1.814 -4.514 -1.909 1.00 0.00 O ATOM 0 H SER A 79 1.432 -4.096 -4.337 1.00 0.00 H new ATOM 0 HA SER A 79 4.064 -4.397 -3.425 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.662 -6.239 -3.022 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.073 -6.140 -1.987 1.00 0.00 H new ATOM 0 HG SER A 79 1.055 -4.158 -2.417 1.00 0.00 H new ATOM 1231 N ARG A 80 3.136 -6.568 -5.674 1.00 0.00 N ATOM 1232 CA ARG A 80 3.623 -7.625 -6.559 1.00 0.00 C ATOM 1233 C ARG A 80 4.957 -7.249 -7.189 1.00 0.00 C ATOM 1234 O ARG A 80 5.880 -8.060 -7.245 1.00 0.00 O ATOM 1235 CB ARG A 80 2.606 -7.918 -7.663 1.00 0.00 C ATOM 1236 CG ARG A 80 1.478 -8.838 -7.235 1.00 0.00 C ATOM 1237 CD ARG A 80 0.448 -9.007 -8.339 1.00 0.00 C ATOM 1238 NE ARG A 80 1.057 -9.354 -9.624 1.00 0.00 N ATOM 1239 CZ ARG A 80 0.399 -9.353 -10.783 1.00 0.00 C ATOM 1240 NH1 ARG A 80 -0.910 -9.117 -10.808 1.00 0.00 N ATOM 1241 NH2 ARG A 80 1.049 -9.611 -11.909 1.00 0.00 N ATOM 0 H ARG A 80 2.226 -6.189 -5.935 1.00 0.00 H new ATOM 0 HA ARG A 80 3.763 -8.518 -5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.181 -6.976 -8.010 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.124 -8.366 -8.511 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.885 -9.812 -6.963 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.996 -8.434 -6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.261 -9.785 -8.055 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.119 -8.083 -8.447 1.00 0.00 H new ATOM 0 HE ARG A 80 2.044 -9.612 -9.633 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.412 -8.936 -9.939 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.411 -9.117 -11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.049 -9.809 -11.886 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.549 -9.611 -12.798 1.00 0.00 H new ATOM 1255 N GLN A 81 5.062 -6.006 -7.634 1.00 0.00 N ATOM 1256 CA GLN A 81 6.255 -5.543 -8.331 1.00 0.00 C ATOM 1257 C GLN A 81 7.413 -5.346 -7.353 1.00 0.00 C ATOM 1258 O GLN A 81 8.576 -5.277 -7.750 1.00 0.00 O ATOM 1259 CB GLN A 81 5.949 -4.247 -9.080 1.00 0.00 C ATOM 1260 CG GLN A 81 4.753 -4.370 -10.014 1.00 0.00 C ATOM 1261 CD GLN A 81 4.509 -3.121 -10.838 1.00 0.00 C ATOM 1262 OE1 GLN A 81 5.443 -2.401 -11.191 1.00 0.00 O ATOM 1263 NE2 GLN A 81 3.250 -2.855 -11.143 1.00 0.00 N ATOM 0 H GLN A 81 4.335 -5.298 -7.525 1.00 0.00 H new ATOM 0 HA GLN A 81 6.556 -6.302 -9.053 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.760 -3.452 -8.358 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.825 -3.951 -9.657 1.00 0.00 H new ATOM 0 HG2 GLN A 81 4.909 -5.215 -10.684 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.862 -4.590 -9.426 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.507 -3.479 -10.830 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.022 -2.026 -11.691 1.00 0.00 H new ATOM 1272 N ALA A 82 7.081 -5.258 -6.072 1.00 0.00 N ATOM 1273 CA ALA A 82 8.087 -5.177 -5.022 1.00 0.00 C ATOM 1274 C ALA A 82 8.328 -6.553 -4.408 1.00 0.00 C ATOM 1275 O ALA A 82 9.282 -6.752 -3.656 1.00 0.00 O ATOM 1276 CB ALA A 82 7.659 -4.181 -3.957 1.00 0.00 C ATOM 0 H ALA A 82 6.119 -5.241 -5.734 1.00 0.00 H new ATOM 0 HA ALA A 82 9.022 -4.830 -5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.420 -4.131 -3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.536 -3.196 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.713 -4.500 -3.519 1.00 0.00 H new ATOM 1282 N HIS A 83 7.457 -7.499 -4.765 1.00 0.00 N ATOM 1283 CA HIS A 83 7.501 -8.874 -4.259 1.00 0.00 C ATOM 1284 C HIS A 83 7.225 -8.920 -2.755 1.00 0.00 C ATOM 1285 O HIS A 83 7.688 -9.814 -2.049 1.00 0.00 O ATOM 1286 CB HIS A 83 8.841 -9.548 -4.583 1.00 0.00 C ATOM 1287 CG HIS A 83 9.136 -9.628 -6.052 1.00 0.00 C ATOM 1288 ND1 HIS A 83 8.610 -10.596 -6.881 1.00 0.00 N ATOM 1289 CD2 HIS A 83 9.913 -8.847 -6.840 1.00 0.00 C ATOM 1290 CE1 HIS A 83 9.049 -10.407 -8.111 1.00 0.00 C ATOM 1291 NE2 HIS A 83 9.840 -9.352 -8.114 1.00 0.00 N ATOM 0 H HIS A 83 6.693 -7.331 -5.420 1.00 0.00 H new ATOM 0 HA HIS A 83 6.713 -9.431 -4.766 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.643 -8.998 -4.090 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.841 -10.555 -4.166 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.484 -7.986 -6.524 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.802 -11.014 -8.970 1.00 0.00 H new ATOM 0 HE2 HIS A 83 10.320 -8.973 -8.930 1.00 0.00 H new ATOM 1300 N CYS A 84 6.430 -7.972 -2.282 1.00 0.00 N ATOM 1301 CA CYS A 84 6.048 -7.913 -0.879 1.00 0.00 C ATOM 1302 C CYS A 84 4.616 -8.407 -0.711 1.00 0.00 C ATOM 1303 O CYS A 84 3.709 -7.644 -0.377 1.00 0.00 O ATOM 1304 CB CYS A 84 6.188 -6.484 -0.346 1.00 0.00 C ATOM 1305 SG CYS A 84 7.853 -5.803 -0.515 1.00 0.00 S ATOM 0 H CYS A 84 6.034 -7.227 -2.855 1.00 0.00 H new ATOM 0 HA CYS A 84 6.713 -8.558 -0.305 1.00 0.00 H new ATOM 0 HB2 CYS A 84 5.486 -5.839 -0.874 1.00 0.00 H new ATOM 0 HB3 CYS A 84 5.904 -6.469 0.706 1.00 0.00 H new ATOM 0 HG CYS A 84 8.362 -6.178 -1.651 1.00 0.00 H new ATOM 1311 N LEU A 85 4.420 -9.689 -0.977 1.00 0.00 N ATOM 1312 CA LEU A 85 3.091 -10.283 -0.959 1.00 0.00 C ATOM 1313 C LEU A 85 2.904 -11.199 0.243 1.00 0.00 C ATOM 1314 O LEU A 85 3.815 -11.935 0.627 1.00 0.00 O ATOM 1315 CB LEU A 85 2.853 -11.074 -2.244 1.00 0.00 C ATOM 1316 CG LEU A 85 2.917 -10.254 -3.532 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.814 -11.163 -4.746 1.00 0.00 C ATOM 1318 CD2 LEU A 85 1.813 -9.208 -3.553 1.00 0.00 C ATOM 0 H LEU A 85 5.169 -10.342 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 85 2.367 -9.471 -0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.593 -11.872 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.874 -11.550 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 85 3.878 -9.740 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.861 -10.563 -5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.639 -11.875 -4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.868 -11.703 -4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.874 -8.633 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.843 -9.702 -3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.930 -8.538 -2.701 1.00 0.00 H new ATOM 1330 N MET A 86 1.716 -11.146 0.827 1.00 0.00 N ATOM 1331 CA MET A 86 1.354 -12.018 1.936 1.00 0.00 C ATOM 1332 C MET A 86 -0.140 -12.298 1.906 1.00 0.00 C ATOM 1333 O MET A 86 -0.856 -11.781 1.047 1.00 0.00 O ATOM 1334 CB MET A 86 1.748 -11.398 3.279 1.00 0.00 C ATOM 1335 CG MET A 86 2.972 -12.041 3.910 1.00 0.00 C ATOM 1336 SD MET A 86 2.707 -13.772 4.345 1.00 0.00 S ATOM 1337 CE MET A 86 1.530 -13.615 5.689 1.00 0.00 C ATOM 0 H MET A 86 0.978 -10.500 0.547 1.00 0.00 H new ATOM 0 HA MET A 86 1.899 -12.955 1.826 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.939 -10.334 3.137 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.908 -11.481 3.969 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.812 -11.969 3.218 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.248 -11.484 4.805 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.485 -14.552 6.244 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.845 -12.813 6.356 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.544 -13.385 5.284 1.00 0.00 H new