USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 316 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 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 15 MET CE :methyl -169:sc= -5.51! (180deg=-6.56!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 19 LYS NZ :NH3+ -132:sc= -0.0385 (180deg=-0.494) USER MOD Single : A 24 GLN :FLIP amide:sc= -1.97! C(o=-3.9!,f=-2!) USER MOD Single : A 26 LYS NZ :NH3+ -146:sc= -0.238 (180deg=-0.617) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0264 X(o=-0.026,f=-0.19) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0551 USER MOD Single : A 36 MET CE :methyl -112:sc=-0.00239 (180deg=-0.115) USER MOD Single : A 39 ASN : amide:sc= -0.0039 K(o=-0.0039,f=-1.4) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 106:sc= 0.921 USER MOD Single : A 44 CYS SG : rot 120:sc= -1.82! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -160:sc= -5.51! (180deg=-7.14!) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 11 -10.705 20.710 23.192 1.00 0.00 N ATOM 158 CA PHE A 11 -9.941 21.698 22.378 1.00 0.00 C ATOM 159 C PHE A 11 -10.686 23.034 22.336 1.00 0.00 C ATOM 160 O PHE A 11 -10.119 24.060 22.017 1.00 0.00 O ATOM 161 CB PHE A 11 -9.871 21.092 20.979 1.00 0.00 C ATOM 162 CG PHE A 11 -8.919 19.920 20.977 1.00 0.00 C ATOM 163 CD1 PHE A 11 -7.561 20.124 20.706 1.00 0.00 C ATOM 164 CD2 PHE A 11 -9.394 18.628 21.238 1.00 0.00 C ATOM 165 CE1 PHE A 11 -6.679 19.039 20.699 1.00 0.00 C ATOM 166 CE2 PHE A 11 -8.510 17.544 21.230 1.00 0.00 C ATOM 167 CZ PHE A 11 -7.154 17.751 20.960 1.00 0.00 C ATOM 0 HA PHE A 11 -8.951 21.892 22.791 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.862 20.768 20.663 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.538 21.844 20.263 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.194 21.119 20.502 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.442 18.469 21.445 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.631 19.196 20.492 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.875 16.548 21.432 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.472 16.914 20.953 1.00 0.00 H new ATOM 177 N GLN A 12 -11.952 23.031 22.650 1.00 0.00 N ATOM 178 CA GLN A 12 -12.724 24.304 22.624 1.00 0.00 C ATOM 179 C GLN A 12 -11.913 25.418 23.289 1.00 0.00 C ATOM 180 O GLN A 12 -11.807 26.515 22.777 1.00 0.00 O ATOM 181 CB GLN A 12 -13.996 24.017 23.422 1.00 0.00 C ATOM 182 CG GLN A 12 -14.975 25.181 23.252 1.00 0.00 C ATOM 183 CD GLN A 12 -16.398 24.693 23.528 1.00 0.00 C ATOM 184 OE1 GLN A 12 -16.636 23.983 24.485 1.00 0.00 O ATOM 185 NE2 GLN A 12 -17.362 25.046 22.723 1.00 0.00 N ATOM 0 H GLN A 12 -12.484 22.204 22.923 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.950 24.632 21.609 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.453 23.089 23.078 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.755 23.881 24.476 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.717 25.990 23.936 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -14.906 25.584 22.241 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.163 25.642 21.920 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.315 24.726 22.897 1.00 0.00 H new ATOM 194 N ALA A 13 -11.335 25.142 24.425 1.00 0.00 N ATOM 195 CA ALA A 13 -10.526 26.183 25.119 1.00 0.00 C ATOM 196 C ALA A 13 -9.362 26.622 24.229 1.00 0.00 C ATOM 197 O ALA A 13 -8.787 27.676 24.418 1.00 0.00 O ATOM 198 CB ALA A 13 -10.005 25.501 26.386 1.00 0.00 C ATOM 0 H ALA A 13 -11.388 24.242 24.902 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.108 27.076 25.348 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.397 26.205 26.955 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.847 25.174 26.996 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.399 24.638 26.111 1.00 0.00 H new ATOM 204 N PHE A 14 -9.007 25.822 23.260 1.00 0.00 N ATOM 205 CA PHE A 14 -7.880 26.194 22.361 1.00 0.00 C ATOM 206 C PHE A 14 -8.391 27.015 21.174 1.00 0.00 C ATOM 207 O PHE A 14 -7.704 27.187 20.187 1.00 0.00 O ATOM 208 CB PHE A 14 -7.307 24.861 21.887 1.00 0.00 C ATOM 209 CG PHE A 14 -6.877 24.034 23.077 1.00 0.00 C ATOM 210 CD1 PHE A 14 -6.596 24.651 24.303 1.00 0.00 C ATOM 211 CD2 PHE A 14 -6.759 22.645 22.951 1.00 0.00 C ATOM 212 CE1 PHE A 14 -6.198 23.878 25.401 1.00 0.00 C ATOM 213 CE2 PHE A 14 -6.361 21.873 24.048 1.00 0.00 C ATOM 214 CZ PHE A 14 -6.081 22.489 25.274 1.00 0.00 C ATOM 0 H PHE A 14 -9.450 24.927 23.053 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.133 26.807 22.865 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.055 24.319 21.308 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.457 25.035 21.227 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.686 25.723 24.401 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.975 22.169 22.006 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -5.981 24.354 26.346 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.270 20.801 23.949 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.775 21.893 26.121 1.00 0.00 H new ATOM 224 N MET A 15 -9.591 27.521 21.257 1.00 0.00 N ATOM 225 CA MET A 15 -10.137 28.326 20.132 1.00 0.00 C ATOM 226 C MET A 15 -9.710 29.786 20.265 1.00 0.00 C ATOM 227 O MET A 15 -9.883 30.407 21.296 1.00 0.00 O ATOM 228 CB MET A 15 -11.651 28.197 20.254 1.00 0.00 C ATOM 229 CG MET A 15 -12.050 26.755 19.954 1.00 0.00 C ATOM 230 SD MET A 15 -13.855 26.608 19.950 1.00 0.00 S ATOM 231 CE MET A 15 -14.179 27.699 21.358 1.00 0.00 C ATOM 0 H MET A 15 -10.216 27.411 22.056 1.00 0.00 H new ATOM 0 HA MET A 15 -9.774 27.980 19.164 1.00 0.00 H new ATOM 0 HB2 MET A 15 -11.973 28.476 21.257 1.00 0.00 H new ATOM 0 HB3 MET A 15 -12.144 28.877 19.560 1.00 0.00 H new ATOM 0 HG2 MET A 15 -11.649 26.450 18.987 1.00 0.00 H new ATOM 0 HG3 MET A 15 -11.623 26.086 20.702 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.222 27.604 21.659 1.00 0.00 H new ATOM 0 HE2 MET A 15 -13.534 27.419 22.191 1.00 0.00 H new ATOM 0 HE3 MET A 15 -13.976 28.731 21.073 1.00 0.00 H new ATOM 241 N LYS A 16 -9.155 30.337 19.225 1.00 0.00 N ATOM 242 CA LYS A 16 -8.714 31.760 19.276 1.00 0.00 C ATOM 243 C LYS A 16 -9.583 32.612 18.349 1.00 0.00 C ATOM 244 O LYS A 16 -9.382 32.643 17.150 1.00 0.00 O ATOM 245 CB LYS A 16 -7.264 31.744 18.791 1.00 0.00 C ATOM 246 CG LYS A 16 -6.742 33.179 18.694 1.00 0.00 C ATOM 247 CD LYS A 16 -6.861 33.859 20.059 1.00 0.00 C ATOM 248 CE LYS A 16 -5.930 33.168 21.057 1.00 0.00 C ATOM 249 NZ LYS A 16 -6.119 33.912 22.334 1.00 0.00 N ATOM 0 H LYS A 16 -8.986 29.863 18.338 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.802 32.186 20.275 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.646 31.167 19.479 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.200 31.256 17.818 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.703 33.178 18.366 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.311 33.734 17.948 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.602 34.914 19.975 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.891 33.810 20.413 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.185 32.115 21.172 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.893 33.210 20.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.513 33.497 23.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.862 34.910 22.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.114 33.848 22.629 1.00 0.00 H new ATOM 263 N ASN A 17 -10.550 33.300 18.891 1.00 0.00 N ATOM 264 CA ASN A 17 -11.433 34.145 18.038 1.00 0.00 C ATOM 265 C ASN A 17 -12.005 33.311 16.889 1.00 0.00 C ATOM 266 O ASN A 17 -11.915 33.679 15.735 1.00 0.00 O ATOM 267 CB ASN A 17 -10.527 35.253 17.499 1.00 0.00 C ATOM 268 CG ASN A 17 -9.974 36.073 18.665 1.00 0.00 C ATOM 269 OD1 ASN A 17 -10.712 36.482 19.539 1.00 0.00 O ATOM 270 ND2 ASN A 17 -8.697 36.333 18.715 1.00 0.00 N ATOM 0 H ASN A 17 -10.767 33.314 19.888 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.280 34.549 18.592 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.708 34.820 16.924 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.087 35.897 16.821 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.318 36.880 19.488 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.077 35.989 17.981 1.00 0.00 H new ATOM 277 N GLY A 18 -12.594 32.190 17.202 1.00 0.00 N ATOM 278 CA GLY A 18 -13.173 31.330 16.132 1.00 0.00 C ATOM 279 C GLY A 18 -12.046 30.601 15.398 1.00 0.00 C ATOM 280 O GLY A 18 -12.223 30.112 14.299 1.00 0.00 O ATOM 0 H GLY A 18 -12.699 31.833 18.152 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -13.865 30.608 16.565 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -13.744 31.938 15.431 1.00 0.00 H new ATOM 284 N LYS A 19 -10.887 30.524 15.994 1.00 0.00 N ATOM 285 CA LYS A 19 -9.752 29.826 15.329 1.00 0.00 C ATOM 286 C LYS A 19 -9.144 28.787 16.273 1.00 0.00 C ATOM 287 O LYS A 19 -8.365 29.110 17.147 1.00 0.00 O ATOM 288 CB LYS A 19 -8.736 30.925 15.024 1.00 0.00 C ATOM 289 CG LYS A 19 -7.728 30.417 13.988 1.00 0.00 C ATOM 290 CD LYS A 19 -6.588 29.678 14.696 1.00 0.00 C ATOM 291 CE LYS A 19 -5.738 30.679 15.481 1.00 0.00 C ATOM 292 NZ LYS A 19 -4.921 31.378 14.450 1.00 0.00 N ATOM 0 H LYS A 19 -10.678 30.915 16.913 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.065 29.296 14.429 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.246 31.811 14.647 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.218 31.219 15.937 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.223 29.751 13.281 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.330 31.253 13.413 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.993 28.923 15.369 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.971 29.155 13.965 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.363 31.381 16.033 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.105 30.174 16.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.926 31.401 14.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.996 30.871 13.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.270 32.351 14.332 1.00 0.00 H new ATOM 306 N LEU A 20 -9.491 27.542 16.101 1.00 0.00 N ATOM 307 CA LEU A 20 -8.929 26.484 16.986 1.00 0.00 C ATOM 308 C LEU A 20 -7.538 26.076 16.495 1.00 0.00 C ATOM 309 O LEU A 20 -7.383 25.549 15.411 1.00 0.00 O ATOM 310 CB LEU A 20 -9.917 25.318 16.876 1.00 0.00 C ATOM 311 CG LEU A 20 -9.300 24.033 17.443 1.00 0.00 C ATOM 312 CD1 LEU A 20 -8.382 23.402 16.395 1.00 0.00 C ATOM 313 CD2 LEU A 20 -8.493 24.348 18.707 1.00 0.00 C ATOM 0 H LEU A 20 -10.139 27.211 15.386 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.811 26.816 18.018 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.833 25.558 17.417 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.194 25.166 15.833 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.100 23.337 17.697 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.944 22.489 16.798 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.959 23.164 15.502 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.588 24.103 16.138 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.060 23.429 19.101 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.695 25.050 18.464 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.149 24.790 19.457 1.00 0.00 H new ATOM 325 N PHE A 21 -6.523 26.313 17.283 1.00 0.00 N ATOM 326 CA PHE A 21 -5.147 25.928 16.848 1.00 0.00 C ATOM 327 C PHE A 21 -4.793 24.544 17.396 1.00 0.00 C ATOM 328 O PHE A 21 -4.196 24.408 18.444 1.00 0.00 O ATOM 329 CB PHE A 21 -4.195 27.003 17.401 1.00 0.00 C ATOM 330 CG PHE A 21 -4.561 27.380 18.820 1.00 0.00 C ATOM 331 CD1 PHE A 21 -4.045 26.652 19.899 1.00 0.00 C ATOM 332 CD2 PHE A 21 -5.411 28.468 19.054 1.00 0.00 C ATOM 333 CE1 PHE A 21 -4.378 27.011 21.210 1.00 0.00 C ATOM 334 CE2 PHE A 21 -5.745 28.827 20.367 1.00 0.00 C ATOM 335 CZ PHE A 21 -5.228 28.098 21.445 1.00 0.00 C ATOM 0 H PHE A 21 -6.585 26.753 18.201 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.070 25.872 15.762 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.170 26.634 17.373 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.233 27.888 16.766 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.389 25.813 19.719 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.809 29.031 18.223 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.979 26.449 22.041 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.401 29.666 20.547 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.485 28.374 22.457 1.00 0.00 H new ATOM 345 N CYS A 22 -5.166 23.514 16.689 1.00 0.00 N ATOM 346 CA CYS A 22 -4.864 22.130 17.157 1.00 0.00 C ATOM 347 C CYS A 22 -3.348 21.919 17.361 1.00 0.00 C ATOM 348 O CYS A 22 -2.953 21.314 18.337 1.00 0.00 O ATOM 349 CB CYS A 22 -5.420 21.208 16.062 1.00 0.00 C ATOM 350 SG CYS A 22 -4.676 19.561 16.193 1.00 0.00 S ATOM 0 H CYS A 22 -5.669 23.570 15.803 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.316 21.923 18.127 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.504 21.134 16.154 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.212 21.632 15.079 1.00 0.00 H new ATOM 355 N PRO A 23 -2.537 22.402 16.446 1.00 0.00 N ATOM 356 CA PRO A 23 -1.068 22.226 16.577 1.00 0.00 C ATOM 357 C PRO A 23 -0.524 22.999 17.785 1.00 0.00 C ATOM 358 O PRO A 23 -0.015 24.095 17.652 1.00 0.00 O ATOM 359 CB PRO A 23 -0.537 22.821 15.270 1.00 0.00 C ATOM 360 CG PRO A 23 -1.730 23.326 14.436 1.00 0.00 C ATOM 361 CD PRO A 23 -3.017 23.132 15.246 1.00 0.00 C ATOM 0 HA PRO A 23 -0.773 21.189 16.735 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.151 23.640 15.480 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.022 22.070 14.713 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.597 24.378 14.186 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.791 22.780 13.495 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.478 24.084 15.508 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.761 22.559 14.693 1.00 0.00 H new ATOM 369 N GLN A 24 -0.612 22.434 18.959 1.00 0.00 N ATOM 370 CA GLN A 24 -0.083 23.136 20.165 1.00 0.00 C ATOM 371 C GLN A 24 0.847 22.195 20.946 1.00 0.00 C ATOM 372 O GLN A 24 1.926 21.870 20.492 1.00 0.00 O ATOM 373 CB GLN A 24 -1.316 23.518 20.989 1.00 0.00 C ATOM 374 CG GLN A 24 -2.265 22.322 21.090 1.00 0.00 C ATOM 375 CD GLN A 24 -3.192 22.507 22.294 1.00 0.00 C ATOM 376 OE1 GLN A 24 -2.790 22.129 23.476 1.00 0.00 O flip ATOM 377 NE2 GLN A 24 -4.292 23.002 22.157 1.00 0.00 N flip ATOM 0 H GLN A 24 -1.026 21.519 19.136 1.00 0.00 H new ATOM 0 HA GLN A 24 0.504 24.019 19.913 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.013 23.838 21.986 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.828 24.361 20.525 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.852 22.232 20.176 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.694 21.399 21.195 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.607 23.298 21.233 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.902 23.122 22.966 1.00 0.00 H new ATOM 386 N ASP A 25 0.448 21.749 22.108 1.00 0.00 N ATOM 387 CA ASP A 25 1.324 20.830 22.889 1.00 0.00 C ATOM 388 C ASP A 25 1.011 19.375 22.528 1.00 0.00 C ATOM 389 O ASP A 25 0.497 18.623 23.331 1.00 0.00 O ATOM 390 CB ASP A 25 0.981 21.108 24.352 1.00 0.00 C ATOM 391 CG ASP A 25 1.850 22.256 24.871 1.00 0.00 C ATOM 392 OD1 ASP A 25 2.744 22.669 24.152 1.00 0.00 O ATOM 393 OD2 ASP A 25 1.606 22.702 25.981 1.00 0.00 O ATOM 0 H ASP A 25 -0.443 21.981 22.548 1.00 0.00 H new ATOM 0 HA ASP A 25 2.383 20.988 22.683 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.074 21.365 24.447 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.146 20.213 24.952 1.00 0.00 H new ATOM 398 N LYS A 26 1.312 18.974 21.323 1.00 0.00 N ATOM 399 CA LYS A 26 1.026 17.570 20.907 1.00 0.00 C ATOM 400 C LYS A 26 1.870 16.574 21.712 1.00 0.00 C ATOM 401 O LYS A 26 1.705 15.376 21.594 1.00 0.00 O ATOM 402 CB LYS A 26 1.395 17.512 19.425 1.00 0.00 C ATOM 403 CG LYS A 26 0.198 17.967 18.586 1.00 0.00 C ATOM 404 CD LYS A 26 0.618 18.093 17.120 1.00 0.00 C ATOM 405 CE LYS A 26 1.869 18.968 17.020 1.00 0.00 C ATOM 406 NZ LYS A 26 2.984 18.011 16.775 1.00 0.00 N ATOM 0 H LYS A 26 1.744 19.558 20.607 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.016 17.301 21.083 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.256 18.151 19.228 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.682 16.497 19.150 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.619 17.251 18.681 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.173 18.924 18.952 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.817 17.106 16.702 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.192 18.530 16.535 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.782 19.691 16.209 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.029 19.536 17.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.848 18.358 17.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.733 17.079 17.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.151 17.927 15.752 1.00 0.00 H new ATOM 420 N LYS A 27 2.768 17.052 22.531 1.00 0.00 N ATOM 421 CA LYS A 27 3.605 16.119 23.337 1.00 0.00 C ATOM 422 C LYS A 27 2.731 15.010 23.933 1.00 0.00 C ATOM 423 O LYS A 27 3.199 13.926 24.223 1.00 0.00 O ATOM 424 CB LYS A 27 4.205 16.986 24.443 1.00 0.00 C ATOM 425 CG LYS A 27 5.181 17.991 23.830 1.00 0.00 C ATOM 426 CD LYS A 27 6.403 17.249 23.282 1.00 0.00 C ATOM 427 CE LYS A 27 7.327 18.241 22.574 1.00 0.00 C ATOM 428 NZ LYS A 27 8.189 17.400 21.696 1.00 0.00 N ATOM 0 H LYS A 27 2.957 18.044 22.676 1.00 0.00 H new ATOM 0 HA LYS A 27 4.375 15.629 22.741 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.414 17.511 24.978 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.721 16.360 25.171 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.692 18.548 23.031 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.490 18.718 24.581 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.936 16.755 24.094 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.088 16.470 22.588 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.758 18.966 21.992 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.924 18.806 23.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.852 18.009 21.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.724 16.724 22.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.594 16.879 21.021 1.00 0.00 H new ATOM 442 N PHE A 28 1.465 15.272 24.114 1.00 0.00 N ATOM 443 CA PHE A 28 0.558 14.235 24.686 1.00 0.00 C ATOM 444 C PHE A 28 0.757 12.898 23.963 1.00 0.00 C ATOM 445 O PHE A 28 0.445 11.846 24.485 1.00 0.00 O ATOM 446 CB PHE A 28 -0.853 14.769 24.439 1.00 0.00 C ATOM 447 CG PHE A 28 -0.975 16.161 25.012 1.00 0.00 C ATOM 448 CD1 PHE A 28 -0.555 16.418 26.322 1.00 0.00 C ATOM 449 CD2 PHE A 28 -1.509 17.194 24.233 1.00 0.00 C ATOM 450 CE1 PHE A 28 -0.670 17.707 26.854 1.00 0.00 C ATOM 451 CE2 PHE A 28 -1.624 18.485 24.765 1.00 0.00 C ATOM 452 CZ PHE A 28 -1.204 18.741 26.075 1.00 0.00 C ATOM 0 H PHE A 28 1.018 16.161 23.890 1.00 0.00 H new ATOM 0 HA PHE A 28 0.751 14.056 25.744 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.065 14.785 23.370 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.588 14.109 24.900 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.142 15.621 26.923 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.832 16.996 23.222 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.347 17.905 27.865 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.037 19.282 24.164 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.292 19.736 26.485 1.00 0.00 H new ATOM 462 N PHE A 29 1.272 12.932 22.764 1.00 0.00 N ATOM 463 CA PHE A 29 1.488 11.667 22.004 1.00 0.00 C ATOM 464 C PHE A 29 2.353 10.694 22.813 1.00 0.00 C ATOM 465 O PHE A 29 2.422 9.519 22.518 1.00 0.00 O ATOM 466 CB PHE A 29 2.217 12.098 20.729 1.00 0.00 C ATOM 467 CG PHE A 29 2.491 10.889 19.866 1.00 0.00 C ATOM 468 CD1 PHE A 29 3.497 9.986 20.229 1.00 0.00 C ATOM 469 CD2 PHE A 29 1.743 10.675 18.703 1.00 0.00 C ATOM 470 CE1 PHE A 29 3.753 8.866 19.428 1.00 0.00 C ATOM 471 CE2 PHE A 29 2.000 9.556 17.902 1.00 0.00 C ATOM 472 CZ PHE A 29 3.005 8.651 18.265 1.00 0.00 C ATOM 0 H PHE A 29 1.553 13.783 22.277 1.00 0.00 H new ATOM 0 HA PHE A 29 0.552 11.150 21.791 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.613 12.820 20.179 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.153 12.595 20.984 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.075 10.153 21.126 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.968 11.373 18.423 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.528 8.168 19.708 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.423 9.391 17.004 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.203 7.787 17.648 1.00 0.00 H new ATOM 482 N GLN A 30 3.019 11.176 23.827 1.00 0.00 N ATOM 483 CA GLN A 30 3.885 10.279 24.646 1.00 0.00 C ATOM 484 C GLN A 30 3.037 9.279 25.440 1.00 0.00 C ATOM 485 O GLN A 30 3.558 8.376 26.065 1.00 0.00 O ATOM 486 CB GLN A 30 4.633 11.215 25.593 1.00 0.00 C ATOM 487 CG GLN A 30 5.439 12.227 24.778 1.00 0.00 C ATOM 488 CD GLN A 30 6.923 11.864 24.837 1.00 0.00 C ATOM 489 OE1 GLN A 30 7.488 11.736 25.906 1.00 0.00 O ATOM 490 NE2 GLN A 30 7.584 11.692 23.726 1.00 0.00 N ATOM 0 H GLN A 30 3.001 12.152 24.124 1.00 0.00 H new ATOM 0 HA GLN A 30 4.561 9.689 24.027 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.927 11.734 26.241 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.297 10.641 26.239 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.096 12.232 23.743 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.284 13.232 25.170 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.110 11.799 22.829 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.575 11.450 23.754 1.00 0.00 H new ATOM 499 N SER A 31 1.740 9.429 25.429 1.00 0.00 N ATOM 500 CA SER A 31 0.880 8.477 26.194 1.00 0.00 C ATOM 501 C SER A 31 -0.468 8.286 25.493 1.00 0.00 C ATOM 502 O SER A 31 -0.848 9.058 24.635 1.00 0.00 O ATOM 503 CB SER A 31 0.684 9.134 27.560 1.00 0.00 C ATOM 504 OG SER A 31 -0.325 8.440 28.278 1.00 0.00 O ATOM 0 H SER A 31 1.240 10.163 24.928 1.00 0.00 H new ATOM 0 HA SER A 31 1.334 7.489 26.274 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.619 9.120 28.120 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.403 10.180 27.436 1.00 0.00 H new ATOM 0 HG SER A 31 -0.450 8.860 29.155 1.00 0.00 H new ATOM 510 N LEU A 32 -1.194 7.262 25.854 1.00 0.00 N ATOM 511 CA LEU A 32 -2.518 7.022 25.212 1.00 0.00 C ATOM 512 C LEU A 32 -3.503 8.117 25.613 1.00 0.00 C ATOM 513 O LEU A 32 -4.100 8.768 24.778 1.00 0.00 O ATOM 514 CB LEU A 32 -2.980 5.667 25.747 1.00 0.00 C ATOM 515 CG LEU A 32 -4.081 5.107 24.843 1.00 0.00 C ATOM 516 CD1 LEU A 32 -5.336 5.972 24.971 1.00 0.00 C ATOM 517 CD2 LEU A 32 -3.602 5.113 23.390 1.00 0.00 C ATOM 0 H LEU A 32 -0.927 6.582 26.566 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.456 7.031 24.124 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.140 4.974 25.786 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.352 5.774 26.766 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.312 4.085 25.144 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.120 5.573 24.327 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.678 5.966 26.006 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.105 6.994 24.671 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.386 4.714 22.747 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.369 6.134 23.088 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.709 4.495 23.299 1.00 0.00 H new ATOM 529 N ASP A 33 -3.670 8.334 26.886 1.00 0.00 N ATOM 530 CA ASP A 33 -4.609 9.398 27.337 1.00 0.00 C ATOM 531 C ASP A 33 -4.216 10.713 26.675 1.00 0.00 C ATOM 532 O ASP A 33 -5.049 11.465 26.212 1.00 0.00 O ATOM 533 CB ASP A 33 -4.435 9.476 28.854 1.00 0.00 C ATOM 534 CG ASP A 33 -5.538 10.352 29.450 1.00 0.00 C ATOM 535 OD1 ASP A 33 -6.336 10.870 28.686 1.00 0.00 O ATOM 536 OD2 ASP A 33 -5.567 10.491 30.662 1.00 0.00 O ATOM 0 H ASP A 33 -3.199 7.823 27.632 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.646 9.192 27.073 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.476 8.477 29.287 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.456 9.889 29.098 1.00 0.00 H new ATOM 541 N GLY A 34 -2.942 10.980 26.605 1.00 0.00 N ATOM 542 CA GLY A 34 -2.486 12.231 25.946 1.00 0.00 C ATOM 543 C GLY A 34 -2.695 12.069 24.443 1.00 0.00 C ATOM 544 O GLY A 34 -3.076 12.992 23.751 1.00 0.00 O ATOM 0 H GLY A 34 -2.200 10.386 26.975 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.048 13.087 26.320 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.435 12.419 26.168 1.00 0.00 H new ATOM 548 N ILE A 35 -2.462 10.888 23.939 1.00 0.00 N ATOM 549 CA ILE A 35 -2.660 10.639 22.484 1.00 0.00 C ATOM 550 C ILE A 35 -4.120 10.910 22.115 1.00 0.00 C ATOM 551 O ILE A 35 -4.417 11.458 21.073 1.00 0.00 O ATOM 552 CB ILE A 35 -2.303 9.157 22.289 1.00 0.00 C ATOM 553 CG1 ILE A 35 -0.801 9.029 22.011 1.00 0.00 C ATOM 554 CG2 ILE A 35 -3.089 8.567 21.111 1.00 0.00 C ATOM 555 CD1 ILE A 35 -0.505 9.480 20.579 1.00 0.00 C ATOM 0 H ILE A 35 -2.142 10.082 24.475 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.048 11.283 21.852 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.562 8.610 23.195 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.237 9.636 22.719 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.481 7.996 22.151 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.824 7.517 20.987 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.158 8.651 21.308 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.844 9.113 20.200 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.563 9.389 20.382 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.058 8.854 19.879 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.809 10.519 20.455 1.00 0.00 H new ATOM 567 N MET A 36 -5.033 10.526 22.964 1.00 0.00 N ATOM 568 CA MET A 36 -6.471 10.761 22.659 1.00 0.00 C ATOM 569 C MET A 36 -6.668 12.169 22.095 1.00 0.00 C ATOM 570 O MET A 36 -7.279 12.353 21.061 1.00 0.00 O ATOM 571 CB MET A 36 -7.192 10.619 23.997 1.00 0.00 C ATOM 572 CG MET A 36 -7.412 9.137 24.306 1.00 0.00 C ATOM 573 SD MET A 36 -8.434 8.393 23.010 1.00 0.00 S ATOM 574 CE MET A 36 -10.038 8.953 23.634 1.00 0.00 C ATOM 0 H MET A 36 -4.846 10.061 23.853 1.00 0.00 H new ATOM 0 HA MET A 36 -6.852 10.062 21.915 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.604 11.083 24.789 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.149 11.140 23.963 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.454 8.622 24.368 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.898 9.025 25.275 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.613 8.095 23.982 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.885 9.647 24.461 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.584 9.455 22.835 1.00 0.00 H new ATOM 584 N PHE A 37 -6.156 13.167 22.765 1.00 0.00 N ATOM 585 CA PHE A 37 -6.322 14.556 22.256 1.00 0.00 C ATOM 586 C PHE A 37 -5.983 14.599 20.756 1.00 0.00 C ATOM 587 O PHE A 37 -6.726 15.138 19.960 1.00 0.00 O ATOM 588 CB PHE A 37 -5.372 15.413 23.128 1.00 0.00 C ATOM 589 CG PHE A 37 -4.301 16.089 22.298 1.00 0.00 C ATOM 590 CD1 PHE A 37 -3.178 15.369 21.876 1.00 0.00 C ATOM 591 CD2 PHE A 37 -4.438 17.437 21.947 1.00 0.00 C ATOM 592 CE1 PHE A 37 -2.198 15.994 21.103 1.00 0.00 C ATOM 593 CE2 PHE A 37 -3.459 18.060 21.171 1.00 0.00 C ATOM 594 CZ PHE A 37 -2.340 17.337 20.749 1.00 0.00 C ATOM 0 H PHE A 37 -5.634 13.080 23.637 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.341 14.935 22.331 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.950 16.169 23.660 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.902 14.781 23.882 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.069 14.330 22.148 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.302 17.995 22.277 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.330 15.439 20.779 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.566 19.099 20.897 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.583 17.818 20.147 1.00 0.00 H new ATOM 604 N ILE A 38 -4.885 14.016 20.356 1.00 0.00 N ATOM 605 CA ILE A 38 -4.532 14.018 18.908 1.00 0.00 C ATOM 606 C ILE A 38 -5.713 13.501 18.087 1.00 0.00 C ATOM 607 O ILE A 38 -6.007 14.000 17.018 1.00 0.00 O ATOM 608 CB ILE A 38 -3.338 13.072 18.783 1.00 0.00 C ATOM 609 CG1 ILE A 38 -2.116 13.703 19.453 1.00 0.00 C ATOM 610 CG2 ILE A 38 -3.039 12.822 17.303 1.00 0.00 C ATOM 611 CD1 ILE A 38 -0.857 12.928 19.058 1.00 0.00 C ATOM 0 H ILE A 38 -4.220 13.541 20.966 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.294 15.016 18.541 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.570 12.125 19.271 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.022 14.747 19.153 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.237 13.693 20.536 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.188 12.147 17.213 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.910 12.372 16.827 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.806 13.768 16.814 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.013 13.379 19.536 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.952 11.891 19.381 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.734 12.961 17.975 1.00 0.00 H new ATOM 623 N ASN A 39 -6.394 12.505 18.581 1.00 0.00 N ATOM 624 CA ASN A 39 -7.559 11.957 17.832 1.00 0.00 C ATOM 625 C ASN A 39 -8.660 13.014 17.739 1.00 0.00 C ATOM 626 O ASN A 39 -9.313 13.159 16.725 1.00 0.00 O ATOM 627 CB ASN A 39 -8.032 10.757 18.653 1.00 0.00 C ATOM 628 CG ASN A 39 -6.967 9.659 18.609 1.00 0.00 C ATOM 629 OD1 ASN A 39 -6.157 9.619 17.704 1.00 0.00 O ATOM 630 ND2 ASN A 39 -6.935 8.761 19.554 1.00 0.00 N ATOM 0 H ASN A 39 -6.194 12.047 19.470 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.301 11.671 16.812 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.217 11.058 19.684 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.975 10.380 18.257 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.230 8.024 19.534 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.615 8.795 20.313 1.00 0.00 H new ATOM 637 N LYS A 40 -8.864 13.756 18.791 1.00 0.00 N ATOM 638 CA LYS A 40 -9.917 14.810 18.769 1.00 0.00 C ATOM 639 C LYS A 40 -9.358 16.097 18.155 1.00 0.00 C ATOM 640 O LYS A 40 -10.091 16.933 17.666 1.00 0.00 O ATOM 641 CB LYS A 40 -10.290 15.029 20.235 1.00 0.00 C ATOM 642 CG LYS A 40 -11.480 14.138 20.595 1.00 0.00 C ATOM 643 CD LYS A 40 -11.592 14.025 22.116 1.00 0.00 C ATOM 644 CE LYS A 40 -11.925 12.580 22.496 1.00 0.00 C ATOM 645 NZ LYS A 40 -12.046 12.594 23.981 1.00 0.00 N ATOM 0 H LYS A 40 -8.347 13.678 19.667 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.781 14.522 18.171 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.440 14.796 20.877 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.541 16.076 20.405 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.398 14.556 20.182 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.354 13.149 20.155 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.656 14.329 22.584 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.366 14.697 22.486 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.852 12.252 22.027 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.143 11.895 22.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.274 11.637 24.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.146 12.905 24.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.803 13.250 24.261 1.00 0.00 H new ATOM 659 N CYS A 41 -8.063 16.260 18.176 1.00 0.00 N ATOM 660 CA CYS A 41 -7.456 17.491 17.591 1.00 0.00 C ATOM 661 C CYS A 41 -7.803 17.592 16.104 1.00 0.00 C ATOM 662 O CYS A 41 -8.423 18.540 15.663 1.00 0.00 O ATOM 663 CB CYS A 41 -5.948 17.316 17.778 1.00 0.00 C ATOM 664 SG CYS A 41 -5.181 18.934 18.046 1.00 0.00 S ATOM 0 H CYS A 41 -7.399 15.595 18.572 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.823 18.400 18.067 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.750 16.662 18.627 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.515 16.837 16.900 1.00 0.00 H new ATOM 669 N ALA A 42 -7.407 16.621 15.328 1.00 0.00 N ATOM 670 CA ALA A 42 -7.712 16.658 13.869 1.00 0.00 C ATOM 671 C ALA A 42 -9.225 16.608 13.643 1.00 0.00 C ATOM 672 O ALA A 42 -9.740 17.165 12.693 1.00 0.00 O ATOM 673 CB ALA A 42 -7.043 15.410 13.294 1.00 0.00 C ATOM 0 H ALA A 42 -6.885 15.803 15.641 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.351 17.570 13.394 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.222 15.364 12.220 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.970 15.453 13.482 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.459 14.522 13.770 1.00 0.00 H new ATOM 679 N THR A 43 -9.943 15.946 14.509 1.00 0.00 N ATOM 680 CA THR A 43 -11.422 15.863 14.342 1.00 0.00 C ATOM 681 C THR A 43 -12.083 17.151 14.841 1.00 0.00 C ATOM 682 O THR A 43 -13.145 17.531 14.386 1.00 0.00 O ATOM 683 CB THR A 43 -11.852 14.670 15.197 1.00 0.00 C ATOM 684 OG1 THR A 43 -11.242 13.488 14.698 1.00 0.00 O ATOM 685 CG2 THR A 43 -13.373 14.524 15.146 1.00 0.00 C ATOM 0 H THR A 43 -9.570 15.459 15.324 1.00 0.00 H new ATOM 0 HA THR A 43 -11.714 15.741 13.299 1.00 0.00 H new ATOM 0 HB THR A 43 -11.541 14.831 16.229 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.517 13.215 15.299 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.678 13.673 15.756 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.839 15.431 15.531 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.689 14.363 14.115 1.00 0.00 H new ATOM 693 N CYS A 44 -11.466 17.825 15.772 1.00 0.00 N ATOM 694 CA CYS A 44 -12.062 19.088 16.296 1.00 0.00 C ATOM 695 C CYS A 44 -11.601 20.280 15.452 1.00 0.00 C ATOM 696 O CYS A 44 -12.389 21.120 15.064 1.00 0.00 O ATOM 697 CB CYS A 44 -11.540 19.210 17.729 1.00 0.00 C ATOM 698 SG CYS A 44 -11.959 20.846 18.383 1.00 0.00 S ATOM 0 H CYS A 44 -10.576 17.557 16.193 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.151 19.076 16.260 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -11.978 18.433 18.355 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -10.460 19.064 17.748 1.00 0.00 H new ATOM 0 HG CYS A 44 -12.709 20.713 19.436 1.00 0.00 H new ATOM 703 N LYS A 45 -10.330 20.361 15.165 1.00 0.00 N ATOM 704 CA LYS A 45 -9.822 21.499 14.348 1.00 0.00 C ATOM 705 C LYS A 45 -10.610 21.604 13.039 1.00 0.00 C ATOM 706 O LYS A 45 -10.734 22.665 12.461 1.00 0.00 O ATOM 707 CB LYS A 45 -8.352 21.168 14.073 1.00 0.00 C ATOM 708 CG LYS A 45 -8.254 20.111 12.968 1.00 0.00 C ATOM 709 CD LYS A 45 -7.974 20.798 11.629 1.00 0.00 C ATOM 710 CE LYS A 45 -7.173 19.854 10.731 1.00 0.00 C ATOM 711 NZ LYS A 45 -7.068 20.567 9.427 1.00 0.00 N ATOM 0 H LYS A 45 -9.622 19.689 15.461 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.932 22.456 14.858 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.817 22.069 13.775 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.876 20.801 14.983 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.459 19.401 13.198 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.182 19.542 12.910 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.912 21.070 11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.419 21.722 11.791 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.188 19.650 11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.676 18.894 10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.531 19.983 8.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.021 20.742 9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.579 21.474 9.566 1.00 0.00 H new ATOM 725 N MET A 46 -11.146 20.511 12.572 1.00 0.00 N ATOM 726 CA MET A 46 -11.928 20.547 11.305 1.00 0.00 C ATOM 727 C MET A 46 -13.316 21.127 11.573 1.00 0.00 C ATOM 728 O MET A 46 -13.960 21.663 10.692 1.00 0.00 O ATOM 729 CB MET A 46 -12.028 19.089 10.858 1.00 0.00 C ATOM 730 CG MET A 46 -12.688 18.258 11.959 1.00 0.00 C ATOM 731 SD MET A 46 -13.968 17.203 11.233 1.00 0.00 S ATOM 732 CE MET A 46 -14.868 18.508 10.359 1.00 0.00 C ATOM 0 H MET A 46 -11.076 19.594 13.013 1.00 0.00 H new ATOM 0 HA MET A 46 -11.461 21.170 10.542 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.609 19.019 9.938 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.035 18.697 10.638 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.941 17.646 12.465 1.00 0.00 H new ATOM 0 HG3 MET A 46 -13.126 18.914 12.712 1.00 0.00 H new ATOM 0 HE1 MET A 46 -15.878 18.166 10.135 1.00 0.00 H new ATOM 0 HE2 MET A 46 -14.917 19.399 10.986 1.00 0.00 H new ATOM 0 HE3 MET A 46 -14.351 18.746 9.429 1.00 0.00 H new ATOM 742 N ILE A 47 -13.779 21.029 12.789 1.00 0.00 N ATOM 743 CA ILE A 47 -15.122 21.582 13.122 1.00 0.00 C ATOM 744 C ILE A 47 -15.109 23.101 12.949 1.00 0.00 C ATOM 745 O ILE A 47 -16.126 23.720 12.713 1.00 0.00 O ATOM 746 CB ILE A 47 -15.357 21.210 14.588 1.00 0.00 C ATOM 747 CG1 ILE A 47 -15.107 19.712 14.790 1.00 0.00 C ATOM 748 CG2 ILE A 47 -16.801 21.542 14.971 1.00 0.00 C ATOM 749 CD1 ILE A 47 -15.808 18.918 13.686 1.00 0.00 C ATOM 0 H ILE A 47 -13.285 20.590 13.566 1.00 0.00 H new ATOM 0 HA ILE A 47 -15.907 21.188 12.477 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.671 21.777 15.218 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -14.037 19.507 14.775 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -15.477 19.400 15.767 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.970 21.278 16.015 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.978 22.609 14.833 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.485 20.976 14.338 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.628 17.853 13.833 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -16.880 19.113 13.722 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.417 19.221 12.715 1.00 0.00 H new ATOM 761 N LEU A 48 -13.955 23.705 13.055 1.00 0.00 N ATOM 762 CA LEU A 48 -13.866 25.183 12.889 1.00 0.00 C ATOM 763 C LEU A 48 -13.815 25.531 11.401 1.00 0.00 C ATOM 764 O LEU A 48 -14.409 26.493 10.955 1.00 0.00 O ATOM 765 CB LEU A 48 -12.559 25.589 13.575 1.00 0.00 C ATOM 766 CG LEU A 48 -12.654 25.339 15.084 1.00 0.00 C ATOM 767 CD1 LEU A 48 -14.022 25.791 15.603 1.00 0.00 C ATOM 768 CD2 LEU A 48 -12.466 23.849 15.371 1.00 0.00 C ATOM 0 H LEU A 48 -13.070 23.237 13.250 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.724 25.701 13.318 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -11.728 25.021 13.156 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.352 26.642 13.386 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.873 25.908 15.589 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.082 25.610 16.676 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.152 26.855 15.407 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.807 25.230 15.096 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.534 23.674 16.445 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.243 23.279 14.861 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.487 23.530 15.013 1.00 0.00 H new