USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 903 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 HIS : no HE2:sc= 0.486 K(o=0.49,f=-2.1!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -4.2 K(o=-4.2,f=-12!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -174:sc= 1.05 (180deg=1.02) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 42:sc= 0.0361 USER MOD Single : A 46 SER OG : rot 180:sc= -1.43 USER MOD Single : A 49 MET CE :methyl -150:sc= -1.01 (180deg=-3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 143:sc= -0.765 (180deg=-4.5!) USER MOD Single : A 60 THR OG1 : rot -94:sc= -0.0659! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 127:sc= -5.46! USER MOD Single : A 70 THR OG1 : rot 170:sc= -0.87 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -160:sc= -0.19 USER MOD Single : A 80 THR OG1 : rot -39:sc= -0.682! USER MOD Single : A 83 HIS : no HD1:sc= -5.49! C(o=-5.5!,f=-6.4!) USER MOD Single : A 94 ASN : amide:sc= 0.162 K(o=0.16,f=-2.4) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00178 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 113 SER OG : rot -9:sc= 1.5 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 124 SER OG : rot 180:sc= -0.591 USER MOD Single : A 126 SER OG : rot -17:sc= 0.318 USER MOD ----------------------------------------------------------------- ATOM 156 N HIS A 14 -14.834 1.764 -15.936 1.00 0.00 N ATOM 157 CA HIS A 14 -13.458 1.299 -15.939 1.00 0.00 C ATOM 158 C HIS A 14 -12.852 1.479 -14.545 1.00 0.00 C ATOM 159 O HIS A 14 -12.774 2.597 -14.038 1.00 0.00 O ATOM 160 CB HIS A 14 -12.650 2.002 -17.031 1.00 0.00 C ATOM 161 CG HIS A 14 -12.971 3.469 -17.186 1.00 0.00 C ATOM 162 ND1 HIS A 14 -12.833 4.379 -16.152 1.00 0.00 N ATOM 163 CD2 HIS A 14 -13.424 4.174 -18.262 1.00 0.00 C ATOM 164 CE1 HIS A 14 -13.191 5.575 -16.598 1.00 0.00 C ATOM 165 NE2 HIS A 14 -13.557 5.445 -17.905 1.00 0.00 N ATOM 0 HA HIS A 14 -13.431 0.235 -16.175 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.588 1.895 -16.809 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -12.829 1.499 -17.981 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -12.511 4.166 -15.208 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.638 3.767 -19.239 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.192 6.491 -16.026 1.00 0.00 H new ATOM 173 N PRO A 15 -12.429 0.332 -13.950 1.00 0.00 N ATOM 174 CA PRO A 15 -11.833 0.353 -12.625 1.00 0.00 C ATOM 175 C PRO A 15 -10.403 0.896 -12.675 1.00 0.00 C ATOM 176 O PRO A 15 -9.998 1.669 -11.808 1.00 0.00 O ATOM 177 CB PRO A 15 -11.905 -1.086 -12.139 1.00 0.00 C ATOM 178 CG PRO A 15 -12.110 -1.936 -13.382 1.00 0.00 C ATOM 179 CD PRO A 15 -12.505 -1.009 -14.520 1.00 0.00 C ATOM 0 HA PRO A 15 -12.357 1.019 -11.939 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.990 -1.369 -11.619 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.726 -1.220 -11.435 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.197 -2.477 -13.630 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.886 -2.682 -13.211 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.831 -1.117 -15.370 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.510 -1.230 -14.880 1.00 0.00 H new ATOM 187 N VAL A 16 -9.678 0.469 -13.698 1.00 0.00 N ATOM 188 CA VAL A 16 -8.302 0.903 -13.873 1.00 0.00 C ATOM 189 C VAL A 16 -8.246 1.986 -14.952 1.00 0.00 C ATOM 190 O VAL A 16 -9.077 2.007 -15.859 1.00 0.00 O ATOM 191 CB VAL A 16 -7.410 -0.300 -14.187 1.00 0.00 C ATOM 192 CG1 VAL A 16 -7.930 -1.563 -13.498 1.00 0.00 C ATOM 193 CG2 VAL A 16 -7.285 -0.511 -15.697 1.00 0.00 C ATOM 0 H VAL A 16 -10.017 -0.173 -14.414 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.920 1.343 -12.951 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.415 -0.090 -13.795 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.278 -2.403 -13.738 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.943 -1.410 -12.419 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.941 -1.777 -13.846 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.646 -1.372 -15.892 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.273 -0.688 -16.123 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.847 0.377 -16.153 1.00 0.00 H new ATOM 203 N THR A 17 -7.259 2.860 -14.818 1.00 0.00 N ATOM 204 CA THR A 17 -7.084 3.943 -15.770 1.00 0.00 C ATOM 205 C THR A 17 -5.612 4.350 -15.850 1.00 0.00 C ATOM 206 O THR A 17 -4.985 4.631 -14.830 1.00 0.00 O ATOM 207 CB THR A 17 -8.009 5.090 -15.357 1.00 0.00 C ATOM 208 OG1 THR A 17 -8.177 4.912 -13.952 1.00 0.00 O ATOM 209 CG2 THR A 17 -9.422 4.935 -15.923 1.00 0.00 C ATOM 0 H THR A 17 -6.572 2.840 -14.064 1.00 0.00 H new ATOM 0 HA THR A 17 -7.358 3.631 -16.778 1.00 0.00 H new ATOM 0 HB THR A 17 -7.585 6.037 -15.692 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.763 5.615 -13.601 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.037 5.775 -15.600 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.378 4.915 -17.012 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.859 4.004 -15.561 1.00 0.00 H new ATOM 217 N TRP A 18 -5.102 4.368 -17.073 1.00 0.00 N ATOM 218 CA TRP A 18 -3.715 4.735 -17.300 1.00 0.00 C ATOM 219 C TRP A 18 -3.696 6.062 -18.062 1.00 0.00 C ATOM 220 O TRP A 18 -4.049 6.111 -19.240 1.00 0.00 O ATOM 221 CB TRP A 18 -2.963 3.618 -18.027 1.00 0.00 C ATOM 222 CG TRP A 18 -2.748 2.361 -17.181 1.00 0.00 C ATOM 223 CD1 TRP A 18 -3.542 1.286 -17.084 1.00 0.00 C ATOM 224 CD2 TRP A 18 -1.627 2.091 -16.313 1.00 0.00 C ATOM 225 NE1 TRP A 18 -3.018 0.347 -16.220 1.00 0.00 N ATOM 226 CE2 TRP A 18 -1.816 0.852 -15.736 1.00 0.00 C ATOM 227 CE3 TRP A 18 -0.491 2.868 -16.025 1.00 0.00 C ATOM 228 CZ2 TRP A 18 -0.910 0.279 -14.835 1.00 0.00 C ATOM 229 CZ3 TRP A 18 0.404 2.282 -15.122 1.00 0.00 C ATOM 230 CH2 TRP A 18 0.229 1.035 -14.533 1.00 0.00 C ATOM 0 H TRP A 18 -5.625 4.134 -17.917 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.192 4.869 -16.353 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.515 3.348 -18.927 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.993 3.997 -18.350 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.475 1.169 -17.615 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.435 -0.552 -15.980 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.322 3.840 -16.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.081 -0.693 -14.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.293 2.838 -14.865 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.968 0.651 -13.846 1.00 0.00 H new ATOM 241 N GLN A 19 -3.279 7.105 -17.360 1.00 0.00 N ATOM 242 CA GLN A 19 -3.210 8.429 -17.955 1.00 0.00 C ATOM 243 C GLN A 19 -1.909 9.125 -17.550 1.00 0.00 C ATOM 244 O GLN A 19 -1.390 8.894 -16.459 1.00 0.00 O ATOM 245 CB GLN A 19 -4.427 9.270 -17.566 1.00 0.00 C ATOM 246 CG GLN A 19 -5.660 8.389 -17.361 1.00 0.00 C ATOM 247 CD GLN A 19 -5.765 7.920 -15.908 1.00 0.00 C ATOM 248 OE1 GLN A 19 -5.105 6.987 -15.481 1.00 0.00 O ATOM 249 NE2 GLN A 19 -6.628 8.618 -15.176 1.00 0.00 N ATOM 0 H GLN A 19 -2.985 7.060 -16.384 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.218 8.320 -19.039 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.214 9.822 -16.651 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.628 10.007 -18.344 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.557 8.945 -17.633 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.608 7.525 -18.023 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.148 9.388 -15.597 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.770 8.384 -14.193 1.00 0.00 H new ATOM 258 N PRO A 20 -1.406 9.987 -18.474 1.00 0.00 N ATOM 259 CA PRO A 20 -0.176 10.719 -18.224 1.00 0.00 C ATOM 260 C PRO A 20 -0.410 11.862 -17.235 1.00 0.00 C ATOM 261 O PRO A 20 -1.537 12.328 -17.073 1.00 0.00 O ATOM 262 CB PRO A 20 0.280 11.201 -19.592 1.00 0.00 C ATOM 263 CG PRO A 20 -0.944 11.123 -20.490 1.00 0.00 C ATOM 264 CD PRO A 20 -1.994 10.287 -19.777 1.00 0.00 C ATOM 0 HA PRO A 20 0.593 10.103 -17.757 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.662 12.221 -19.540 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.087 10.578 -19.977 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.328 12.121 -20.699 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.686 10.674 -21.449 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.931 10.833 -19.672 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.217 9.375 -20.330 1.00 0.00 H new ATOM 272 N SER A 21 0.674 12.282 -16.598 1.00 0.00 N ATOM 273 CA SER A 21 0.601 13.361 -15.628 1.00 0.00 C ATOM 274 C SER A 21 0.379 14.694 -16.346 1.00 0.00 C ATOM 275 O SER A 21 0.309 14.739 -17.573 1.00 0.00 O ATOM 276 CB SER A 21 1.870 13.423 -14.776 1.00 0.00 C ATOM 277 OG SER A 21 2.893 14.197 -15.396 1.00 0.00 O ATOM 0 H SER A 21 1.607 11.894 -16.735 1.00 0.00 H new ATOM 0 HA SER A 21 -0.241 13.167 -14.963 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.632 13.851 -13.802 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.237 12.412 -14.599 1.00 0.00 H new ATOM 0 HG SER A 21 3.685 14.213 -14.820 1.00 0.00 H new ATOM 283 N LYS A 22 0.273 15.748 -15.549 1.00 0.00 N ATOM 284 CA LYS A 22 0.060 17.079 -16.093 1.00 0.00 C ATOM 285 C LYS A 22 1.046 17.322 -17.236 1.00 0.00 C ATOM 286 O LYS A 22 0.650 17.727 -18.328 1.00 0.00 O ATOM 287 CB LYS A 22 0.134 18.129 -14.983 1.00 0.00 C ATOM 288 CG LYS A 22 -1.031 19.115 -15.082 1.00 0.00 C ATOM 289 CD LYS A 22 -1.950 19.004 -13.864 1.00 0.00 C ATOM 290 CE LYS A 22 -3.419 18.947 -14.288 1.00 0.00 C ATOM 291 NZ LYS A 22 -4.194 20.014 -13.617 1.00 0.00 N ATOM 0 H LYS A 22 0.331 15.707 -14.531 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.942 17.163 -16.513 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.117 17.637 -14.011 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.079 18.669 -15.051 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.646 20.132 -15.160 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.601 18.920 -15.991 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.698 18.110 -13.294 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.791 19.858 -13.205 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.496 19.059 -15.370 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.838 17.973 -14.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.189 19.961 -13.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.135 19.890 -12.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.804 20.942 -13.877 1.00 0.00 H new ATOM 305 N ASP A 23 2.314 17.064 -16.947 1.00 0.00 N ATOM 306 CA ASP A 23 3.360 17.250 -17.938 1.00 0.00 C ATOM 307 C ASP A 23 3.198 16.208 -19.046 1.00 0.00 C ATOM 308 O ASP A 23 2.856 16.548 -20.178 1.00 0.00 O ATOM 309 CB ASP A 23 4.746 17.067 -17.316 1.00 0.00 C ATOM 310 CG ASP A 23 5.583 18.343 -17.216 1.00 0.00 C ATOM 311 OD1 ASP A 23 5.225 19.314 -17.917 1.00 0.00 O ATOM 312 OD2 ASP A 23 6.563 18.320 -16.440 1.00 0.00 O ATOM 0 H ASP A 23 2.640 16.728 -16.041 1.00 0.00 H new ATOM 0 HA ASP A 23 3.273 18.262 -18.335 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.627 16.649 -16.316 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.298 16.334 -17.904 1.00 0.00 H new ATOM 317 N GLY A 24 3.451 14.959 -18.682 1.00 0.00 N ATOM 318 CA GLY A 24 3.337 13.865 -19.632 1.00 0.00 C ATOM 319 C GLY A 24 4.554 12.941 -19.552 1.00 0.00 C ATOM 320 O GLY A 24 4.503 11.801 -20.012 1.00 0.00 O ATOM 0 H GLY A 24 3.734 14.680 -17.743 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.430 13.296 -19.430 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.244 14.264 -20.642 1.00 0.00 H new ATOM 324 N ASP A 25 5.618 13.466 -18.963 1.00 0.00 N ATOM 325 CA ASP A 25 6.845 12.702 -18.816 1.00 0.00 C ATOM 326 C ASP A 25 6.556 11.429 -18.019 1.00 0.00 C ATOM 327 O ASP A 25 7.190 10.398 -18.237 1.00 0.00 O ATOM 328 CB ASP A 25 7.906 13.504 -18.060 1.00 0.00 C ATOM 329 CG ASP A 25 9.029 14.073 -18.929 1.00 0.00 C ATOM 330 OD1 ASP A 25 9.418 13.370 -19.886 1.00 0.00 O ATOM 331 OD2 ASP A 25 9.472 15.200 -18.617 1.00 0.00 O ATOM 0 H ASP A 25 5.656 14.411 -18.582 1.00 0.00 H new ATOM 0 HA ASP A 25 7.216 12.464 -19.813 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.416 14.328 -17.541 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.347 12.864 -17.296 1.00 0.00 H new ATOM 336 N ARG A 26 5.599 11.543 -17.110 1.00 0.00 N ATOM 337 CA ARG A 26 5.218 10.414 -16.278 1.00 0.00 C ATOM 338 C ARG A 26 3.876 9.844 -16.740 1.00 0.00 C ATOM 339 O ARG A 26 3.139 10.499 -17.475 1.00 0.00 O ATOM 340 CB ARG A 26 5.112 10.824 -14.808 1.00 0.00 C ATOM 341 CG ARG A 26 6.476 10.750 -14.118 1.00 0.00 C ATOM 342 CD ARG A 26 6.829 9.306 -13.756 1.00 0.00 C ATOM 343 NE ARG A 26 8.299 9.132 -13.742 1.00 0.00 N ATOM 344 CZ ARG A 26 9.080 9.422 -12.693 1.00 0.00 C ATOM 345 NH1 ARG A 26 8.537 9.901 -11.565 1.00 0.00 N ATOM 346 NH2 ARG A 26 10.404 9.233 -12.771 1.00 0.00 N ATOM 0 H ARG A 26 5.076 12.400 -16.931 1.00 0.00 H new ATOM 0 HA ARG A 26 5.993 9.653 -16.376 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.719 11.838 -14.737 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.405 10.172 -14.295 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.243 11.162 -14.774 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.465 11.363 -13.217 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.416 9.056 -12.779 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.380 8.622 -14.476 1.00 0.00 H new ATOM 0 HE ARG A 26 8.745 8.768 -14.584 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.529 10.045 -11.505 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.132 10.122 -10.766 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.817 8.868 -13.629 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.999 9.454 -11.972 1.00 0.00 H new ATOM 360 N LEU A 27 3.598 8.629 -16.289 1.00 0.00 N ATOM 361 CA LEU A 27 2.357 7.963 -16.646 1.00 0.00 C ATOM 362 C LEU A 27 1.642 7.509 -15.372 1.00 0.00 C ATOM 363 O LEU A 27 2.074 6.561 -14.719 1.00 0.00 O ATOM 364 CB LEU A 27 2.624 6.830 -17.639 1.00 0.00 C ATOM 365 CG LEU A 27 1.514 6.553 -18.655 1.00 0.00 C ATOM 366 CD1 LEU A 27 0.213 7.250 -18.249 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.954 6.939 -20.068 1.00 0.00 C ATOM 0 H LEU A 27 4.212 8.089 -15.679 1.00 0.00 H new ATOM 0 HA LEU A 27 1.687 8.654 -17.158 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.539 7.060 -18.184 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.810 5.916 -17.075 1.00 0.00 H new ATOM 0 HG LEU A 27 1.317 5.481 -18.661 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.560 7.037 -18.988 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.107 6.884 -17.273 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.378 8.326 -18.196 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.146 6.732 -20.770 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.196 8.001 -20.096 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.834 6.359 -20.346 1.00 0.00 H new ATOM 379 N ILE A 28 0.561 8.207 -15.058 1.00 0.00 N ATOM 380 CA ILE A 28 -0.219 7.887 -13.874 1.00 0.00 C ATOM 381 C ILE A 28 -1.153 6.716 -14.185 1.00 0.00 C ATOM 382 O ILE A 28 -2.029 6.827 -15.041 1.00 0.00 O ATOM 383 CB ILE A 28 -0.943 9.132 -13.357 1.00 0.00 C ATOM 384 CG1 ILE A 28 0.000 10.336 -13.311 1.00 0.00 C ATOM 385 CG2 ILE A 28 -1.595 8.862 -12.000 1.00 0.00 C ATOM 386 CD1 ILE A 28 1.369 9.939 -12.755 1.00 0.00 C ATOM 0 H ILE A 28 0.206 8.993 -15.603 1.00 0.00 H new ATOM 0 HA ILE A 28 0.434 7.567 -13.062 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.743 9.377 -14.056 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.116 10.750 -14.313 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.435 11.120 -12.691 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.103 9.763 -11.655 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.318 8.053 -12.099 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.829 8.578 -11.278 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.020 10.813 -12.733 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.252 9.548 -11.744 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.812 9.173 -13.391 1.00 0.00 H new ATOM 398 N GLY A 29 -0.935 5.621 -13.473 1.00 0.00 N ATOM 399 CA GLY A 29 -1.747 4.431 -13.662 1.00 0.00 C ATOM 400 C GLY A 29 -2.594 4.142 -12.421 1.00 0.00 C ATOM 401 O GLY A 29 -2.091 4.177 -11.299 1.00 0.00 O ATOM 0 H GLY A 29 -0.207 5.532 -12.764 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.397 4.563 -14.527 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.103 3.577 -13.874 1.00 0.00 H new ATOM 405 N ARG A 30 -3.866 3.864 -12.664 1.00 0.00 N ATOM 406 CA ARG A 30 -4.788 3.569 -11.580 1.00 0.00 C ATOM 407 C ARG A 30 -5.351 2.154 -11.731 1.00 0.00 C ATOM 408 O ARG A 30 -5.827 1.783 -12.803 1.00 0.00 O ATOM 409 CB ARG A 30 -5.945 4.570 -11.554 1.00 0.00 C ATOM 410 CG ARG A 30 -5.892 5.437 -10.294 1.00 0.00 C ATOM 411 CD ARG A 30 -6.886 6.596 -10.384 1.00 0.00 C ATOM 412 NE ARG A 30 -6.271 7.833 -9.853 1.00 0.00 N ATOM 413 CZ ARG A 30 -6.852 9.040 -9.895 1.00 0.00 C ATOM 414 NH1 ARG A 30 -8.067 9.179 -10.444 1.00 0.00 N ATOM 415 NH2 ARG A 30 -6.219 10.107 -9.389 1.00 0.00 N ATOM 0 H ARG A 30 -4.280 3.837 -13.596 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.234 3.645 -10.644 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.901 5.205 -12.439 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.894 4.035 -11.592 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.117 4.827 -9.419 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.883 5.828 -10.159 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.189 6.747 -11.420 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.788 6.357 -9.820 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.346 7.762 -9.428 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.549 8.367 -10.829 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.510 10.097 -10.476 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.294 10.001 -8.972 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.662 11.025 -9.421 1.00 0.00 H new ATOM 429 N ILE A 31 -5.276 1.403 -10.642 1.00 0.00 N ATOM 430 CA ILE A 31 -5.772 0.037 -10.640 1.00 0.00 C ATOM 431 C ILE A 31 -6.769 -0.137 -9.493 1.00 0.00 C ATOM 432 O ILE A 31 -6.388 -0.102 -8.324 1.00 0.00 O ATOM 433 CB ILE A 31 -4.608 -0.955 -10.600 1.00 0.00 C ATOM 434 CG1 ILE A 31 -3.888 -1.011 -11.949 1.00 0.00 C ATOM 435 CG2 ILE A 31 -5.081 -2.337 -10.145 1.00 0.00 C ATOM 436 CD1 ILE A 31 -2.669 -0.087 -11.959 1.00 0.00 C ATOM 0 H ILE A 31 -4.879 1.714 -9.755 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.309 -0.175 -11.564 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.885 -0.603 -9.864 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.575 -2.034 -12.156 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.575 -0.721 -12.744 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.234 -3.023 -10.125 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.512 -2.264 -9.146 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.834 -2.710 -10.839 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.176 -0.146 -12.929 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.989 0.939 -11.776 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.973 -0.395 -11.179 1.00 0.00 H new ATOM 448 N LEU A 32 -8.027 -0.321 -9.867 1.00 0.00 N ATOM 449 CA LEU A 32 -9.081 -0.501 -8.884 1.00 0.00 C ATOM 450 C LEU A 32 -9.525 -1.965 -8.880 1.00 0.00 C ATOM 451 O LEU A 32 -9.670 -2.576 -9.938 1.00 0.00 O ATOM 452 CB LEU A 32 -10.222 0.487 -9.134 1.00 0.00 C ATOM 453 CG LEU A 32 -11.413 0.393 -8.178 1.00 0.00 C ATOM 454 CD1 LEU A 32 -12.297 -0.808 -8.519 1.00 0.00 C ATOM 455 CD2 LEU A 32 -10.945 0.366 -6.721 1.00 0.00 C ATOM 0 H LEU A 32 -8.340 -0.349 -10.838 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.710 -0.277 -7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.818 1.498 -9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.586 0.341 -10.151 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.024 1.287 -8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.136 -0.851 -7.824 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.674 -0.705 -9.537 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.712 -1.724 -8.439 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.811 0.299 -6.062 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.300 -0.498 -6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.391 1.278 -6.500 1.00 0.00 H new ATOM 467 N LEU A 33 -9.728 -2.487 -7.679 1.00 0.00 N ATOM 468 CA LEU A 33 -10.152 -3.868 -7.524 1.00 0.00 C ATOM 469 C LEU A 33 -11.490 -3.905 -6.782 1.00 0.00 C ATOM 470 O LEU A 33 -11.740 -3.081 -5.905 1.00 0.00 O ATOM 471 CB LEU A 33 -9.053 -4.694 -6.854 1.00 0.00 C ATOM 472 CG LEU A 33 -7.680 -4.656 -7.527 1.00 0.00 C ATOM 473 CD1 LEU A 33 -7.816 -4.657 -9.051 1.00 0.00 C ATOM 474 CD2 LEU A 33 -6.856 -3.468 -7.026 1.00 0.00 C ATOM 0 H LEU A 33 -9.607 -1.978 -6.804 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.315 -4.329 -8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.941 -4.348 -5.826 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.384 -5.732 -6.807 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.140 -5.562 -7.251 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.825 -4.630 -9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.336 -5.561 -9.369 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.384 -3.782 -9.366 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.885 -3.465 -7.520 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.381 -2.540 -7.252 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.714 -3.552 -5.949 1.00 0.00 H new ATOM 486 N ASN A 34 -12.314 -4.871 -7.162 1.00 0.00 N ATOM 487 CA ASN A 34 -13.619 -5.027 -6.544 1.00 0.00 C ATOM 488 C ASN A 34 -13.834 -6.498 -6.180 1.00 0.00 C ATOM 489 O ASN A 34 -14.032 -7.335 -7.059 1.00 0.00 O ATOM 490 CB ASN A 34 -14.736 -4.609 -7.502 1.00 0.00 C ATOM 491 CG ASN A 34 -16.069 -4.472 -6.764 1.00 0.00 C ATOM 492 OD1 ASN A 34 -16.342 -3.486 -6.100 1.00 0.00 O ATOM 493 ND2 ASN A 34 -16.882 -5.514 -6.917 1.00 0.00 N ATOM 0 H ASN A 34 -12.103 -5.553 -7.890 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.649 -4.394 -5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.479 -3.661 -7.974 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.832 -5.347 -8.299 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -17.796 -5.519 -6.464 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -16.591 -6.308 -7.487 1.00 0.00 H new ATOM 500 N LYS A 35 -13.787 -6.767 -4.884 1.00 0.00 N ATOM 501 CA LYS A 35 -13.974 -8.121 -4.393 1.00 0.00 C ATOM 502 C LYS A 35 -15.383 -8.260 -3.814 1.00 0.00 C ATOM 503 O LYS A 35 -15.768 -9.335 -3.358 1.00 0.00 O ATOM 504 CB LYS A 35 -12.865 -8.492 -3.407 1.00 0.00 C ATOM 505 CG LYS A 35 -13.070 -7.790 -2.062 1.00 0.00 C ATOM 506 CD LYS A 35 -12.052 -6.664 -1.871 1.00 0.00 C ATOM 507 CE LYS A 35 -10.636 -7.224 -1.723 1.00 0.00 C ATOM 508 NZ LYS A 35 -9.632 -6.160 -1.946 1.00 0.00 N ATOM 0 H LYS A 35 -13.622 -6.069 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.894 -8.836 -5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.851 -9.572 -3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.896 -8.214 -3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.080 -7.384 -2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.974 -8.513 -1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.091 -5.985 -2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.311 -6.081 -0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.509 -7.649 -0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.482 -8.033 -2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.679 -6.576 -1.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.808 -5.704 -2.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.703 -5.451 -1.188 1.00 0.00 H new ATOM 522 N ARG A 36 -16.115 -7.155 -3.851 1.00 0.00 N ATOM 523 CA ARG A 36 -17.473 -7.140 -3.336 1.00 0.00 C ATOM 524 C ARG A 36 -18.322 -8.197 -4.045 1.00 0.00 C ATOM 525 O ARG A 36 -18.402 -8.214 -5.272 1.00 0.00 O ATOM 526 CB ARG A 36 -18.119 -5.766 -3.526 1.00 0.00 C ATOM 527 CG ARG A 36 -18.116 -4.973 -2.218 1.00 0.00 C ATOM 528 CD ARG A 36 -19.004 -3.731 -2.328 1.00 0.00 C ATOM 529 NE ARG A 36 -19.990 -3.715 -1.224 1.00 0.00 N ATOM 530 CZ ARG A 36 -20.775 -2.669 -0.933 1.00 0.00 C ATOM 531 NH1 ARG A 36 -20.693 -1.547 -1.662 1.00 0.00 N ATOM 532 NH2 ARG A 36 -21.641 -2.744 0.087 1.00 0.00 N ATOM 0 H ARG A 36 -15.793 -6.265 -4.230 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.425 -7.363 -2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -17.581 -5.210 -4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.143 -5.887 -3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -18.469 -5.606 -1.404 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -17.097 -4.675 -1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -18.391 -2.831 -2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -19.520 -3.727 -3.288 1.00 0.00 H new ATOM 0 HE ARG A 36 -20.077 -4.553 -0.649 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -20.033 -1.490 -2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -21.290 -0.750 -1.441 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -21.703 -3.598 0.642 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -22.238 -1.948 0.308 1.00 0.00 H new ATOM 546 N LEU A 37 -18.935 -9.054 -3.241 1.00 0.00 N ATOM 547 CA LEU A 37 -19.775 -10.112 -3.776 1.00 0.00 C ATOM 548 C LEU A 37 -20.806 -9.506 -4.730 1.00 0.00 C ATOM 549 O LEU A 37 -20.816 -8.296 -4.952 1.00 0.00 O ATOM 550 CB LEU A 37 -20.393 -10.931 -2.642 1.00 0.00 C ATOM 551 CG LEU A 37 -19.422 -11.782 -1.822 1.00 0.00 C ATOM 552 CD1 LEU A 37 -20.035 -12.170 -0.475 1.00 0.00 C ATOM 553 CD2 LEU A 37 -18.961 -13.007 -2.616 1.00 0.00 C ATOM 0 H LEU A 37 -18.867 -9.037 -2.223 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.178 -10.815 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.907 -10.248 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -21.151 -11.589 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 37 -18.536 -11.182 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -19.324 -12.775 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -20.272 -11.269 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.947 -12.744 -0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -18.271 -13.595 -2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.825 -13.617 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -18.457 -12.682 -3.526 1.00 0.00 H new ATOM 565 N LYS A 38 -21.649 -10.375 -5.269 1.00 0.00 N ATOM 566 CA LYS A 38 -22.682 -9.940 -6.194 1.00 0.00 C ATOM 567 C LYS A 38 -23.810 -9.264 -5.411 1.00 0.00 C ATOM 568 O LYS A 38 -24.636 -8.560 -5.989 1.00 0.00 O ATOM 569 CB LYS A 38 -23.151 -11.109 -7.062 1.00 0.00 C ATOM 570 CG LYS A 38 -22.079 -11.499 -8.081 1.00 0.00 C ATOM 571 CD LYS A 38 -22.566 -11.256 -9.511 1.00 0.00 C ATOM 572 CE LYS A 38 -21.546 -11.762 -10.532 1.00 0.00 C ATOM 573 NZ LYS A 38 -21.686 -13.222 -10.726 1.00 0.00 N ATOM 0 H LYS A 38 -21.638 -11.378 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 38 -22.285 -9.198 -6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -23.385 -11.965 -6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -24.069 -10.836 -7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -21.172 -10.922 -7.899 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -21.818 -12.550 -7.956 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -23.520 -11.760 -9.664 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -22.740 -10.191 -9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -21.689 -11.248 -11.482 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -20.537 -11.530 -10.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -20.986 -13.548 -11.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -21.527 -13.709 -9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -22.643 -13.436 -11.071 1.00 0.00 H new ATOM 587 N ASP A 39 -23.808 -9.503 -4.108 1.00 0.00 N ATOM 588 CA ASP A 39 -24.821 -8.927 -3.240 1.00 0.00 C ATOM 589 C ASP A 39 -24.230 -7.723 -2.503 1.00 0.00 C ATOM 590 O ASP A 39 -24.647 -7.406 -1.390 1.00 0.00 O ATOM 591 CB ASP A 39 -25.290 -9.939 -2.193 1.00 0.00 C ATOM 592 CG ASP A 39 -26.602 -9.582 -1.491 1.00 0.00 C ATOM 593 OD1 ASP A 39 -26.555 -8.686 -0.621 1.00 0.00 O ATOM 594 OD2 ASP A 39 -27.622 -10.214 -1.840 1.00 0.00 O ATOM 0 H ASP A 39 -23.121 -10.088 -3.632 1.00 0.00 H new ATOM 0 HA ASP A 39 -25.668 -8.631 -3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -25.405 -10.910 -2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -24.510 -10.048 -1.439 1.00 0.00 H new ATOM 599 N GLY A 40 -23.268 -7.085 -3.153 1.00 0.00 N ATOM 600 CA GLY A 40 -22.615 -5.924 -2.574 1.00 0.00 C ATOM 601 C GLY A 40 -22.231 -6.181 -1.115 1.00 0.00 C ATOM 602 O GLY A 40 -22.827 -5.611 -0.202 1.00 0.00 O ATOM 0 H GLY A 40 -22.925 -7.351 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -21.723 -5.679 -3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -23.279 -5.062 -2.632 1.00 0.00 H new ATOM 606 N SER A 41 -21.238 -7.041 -0.942 1.00 0.00 N ATOM 607 CA SER A 41 -20.767 -7.381 0.390 1.00 0.00 C ATOM 608 C SER A 41 -19.504 -8.240 0.295 1.00 0.00 C ATOM 609 O SER A 41 -19.506 -9.283 -0.356 1.00 0.00 O ATOM 610 CB SER A 41 -21.849 -8.114 1.186 1.00 0.00 C ATOM 611 OG SER A 41 -22.423 -9.186 0.444 1.00 0.00 O ATOM 0 H SER A 41 -20.747 -7.512 -1.702 1.00 0.00 H new ATOM 0 HA SER A 41 -20.531 -6.456 0.916 1.00 0.00 H new ATOM 0 HB2 SER A 41 -21.420 -8.502 2.110 1.00 0.00 H new ATOM 0 HB3 SER A 41 -22.631 -7.409 1.469 1.00 0.00 H new ATOM 0 HG SER A 41 -21.715 -9.673 -0.028 1.00 0.00 H new ATOM 617 N VAL A 42 -18.456 -7.769 0.955 1.00 0.00 N ATOM 618 CA VAL A 42 -17.189 -8.481 0.953 1.00 0.00 C ATOM 619 C VAL A 42 -17.246 -9.617 1.977 1.00 0.00 C ATOM 620 O VAL A 42 -17.752 -9.436 3.083 1.00 0.00 O ATOM 621 CB VAL A 42 -16.040 -7.503 1.208 1.00 0.00 C ATOM 622 CG1 VAL A 42 -14.695 -8.233 1.228 1.00 0.00 C ATOM 623 CG2 VAL A 42 -16.038 -6.377 0.172 1.00 0.00 C ATOM 0 H VAL A 42 -18.458 -6.903 1.495 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.005 -8.932 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.193 -7.054 2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.895 -7.516 1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.699 -8.982 2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.532 -8.722 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.212 -5.696 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.921 -6.801 -0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.980 -5.831 0.226 1.00 0.00 H new ATOM 633 N PRO A 43 -16.705 -10.793 1.560 1.00 0.00 N ATOM 634 CA PRO A 43 -16.690 -11.958 2.428 1.00 0.00 C ATOM 635 C PRO A 43 -15.626 -11.816 3.518 1.00 0.00 C ATOM 636 O PRO A 43 -14.805 -10.900 3.474 1.00 0.00 O ATOM 637 CB PRO A 43 -16.436 -13.136 1.501 1.00 0.00 C ATOM 638 CG PRO A 43 -15.859 -12.545 0.225 1.00 0.00 C ATOM 639 CD PRO A 43 -16.097 -11.044 0.257 1.00 0.00 C ATOM 0 HA PRO A 43 -17.626 -12.090 2.971 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.742 -13.845 1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -17.359 -13.679 1.297 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.793 -12.761 0.152 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -16.334 -12.988 -0.650 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -15.164 -10.493 0.143 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -16.754 -10.730 -0.554 1.00 0.00 H new ATOM 647 N ARG A 44 -15.674 -12.735 4.471 1.00 0.00 N ATOM 648 CA ARG A 44 -14.725 -12.723 5.571 1.00 0.00 C ATOM 649 C ARG A 44 -13.331 -12.344 5.065 1.00 0.00 C ATOM 650 O ARG A 44 -12.634 -11.548 5.693 1.00 0.00 O ATOM 651 CB ARG A 44 -14.657 -14.090 6.255 1.00 0.00 C ATOM 652 CG ARG A 44 -14.895 -13.962 7.761 1.00 0.00 C ATOM 653 CD ARG A 44 -14.106 -15.022 8.533 1.00 0.00 C ATOM 654 NE ARG A 44 -14.766 -15.302 9.827 1.00 0.00 N ATOM 655 CZ ARG A 44 -14.314 -16.187 10.725 1.00 0.00 C ATOM 656 NH1 ARG A 44 -13.196 -16.883 10.476 1.00 0.00 N ATOM 657 NH2 ARG A 44 -14.979 -16.376 11.873 1.00 0.00 N ATOM 0 H ARG A 44 -16.356 -13.493 4.504 1.00 0.00 H new ATOM 0 HA ARG A 44 -15.066 -11.984 6.295 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.403 -14.755 5.821 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.682 -14.543 6.074 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -14.600 -12.968 8.096 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.959 -14.068 7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.038 -15.937 7.945 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.086 -14.676 8.703 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.619 -14.789 10.049 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.689 -16.739 9.603 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.852 -17.557 11.160 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.829 -15.846 12.063 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -14.635 -17.050 12.557 1.00 0.00 H new ATOM 671 N ASP A 45 -12.966 -12.932 3.935 1.00 0.00 N ATOM 672 CA ASP A 45 -11.669 -12.666 3.338 1.00 0.00 C ATOM 673 C ASP A 45 -11.682 -13.118 1.877 1.00 0.00 C ATOM 674 O ASP A 45 -11.621 -14.314 1.593 1.00 0.00 O ATOM 675 CB ASP A 45 -10.561 -13.435 4.061 1.00 0.00 C ATOM 676 CG ASP A 45 -10.951 -14.836 4.535 1.00 0.00 C ATOM 677 OD1 ASP A 45 -12.006 -15.320 4.070 1.00 0.00 O ATOM 678 OD2 ASP A 45 -10.186 -15.392 5.353 1.00 0.00 O ATOM 0 H ASP A 45 -13.546 -13.592 3.417 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.475 -11.596 3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.703 -13.519 3.394 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.238 -12.852 4.924 1.00 0.00 H new ATOM 683 N SER A 46 -11.763 -12.139 0.988 1.00 0.00 N ATOM 684 CA SER A 46 -11.785 -12.422 -0.437 1.00 0.00 C ATOM 685 C SER A 46 -10.397 -12.190 -1.038 1.00 0.00 C ATOM 686 O SER A 46 -9.701 -13.143 -1.387 1.00 0.00 O ATOM 687 CB SER A 46 -12.825 -11.558 -1.154 1.00 0.00 C ATOM 688 OG SER A 46 -13.834 -12.346 -1.778 1.00 0.00 O ATOM 0 H SER A 46 -11.814 -11.149 1.227 1.00 0.00 H new ATOM 0 HA SER A 46 -12.063 -13.467 -0.574 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.287 -10.878 -0.438 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.330 -10.942 -1.905 1.00 0.00 H new ATOM 0 HG SER A 46 -14.479 -11.758 -2.223 1.00 0.00 H new ATOM 694 N GLY A 47 -10.036 -10.920 -1.141 1.00 0.00 N ATOM 695 CA GLY A 47 -8.744 -10.551 -1.694 1.00 0.00 C ATOM 696 C GLY A 47 -8.226 -9.258 -1.061 1.00 0.00 C ATOM 697 O GLY A 47 -8.064 -8.249 -1.745 1.00 0.00 O ATOM 0 H GLY A 47 -10.616 -10.133 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.028 -11.355 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.829 -10.423 -2.773 1.00 0.00 H new ATOM 701 N ALA A 48 -7.979 -9.331 0.239 1.00 0.00 N ATOM 702 CA ALA A 48 -7.482 -8.179 0.972 1.00 0.00 C ATOM 703 C ALA A 48 -6.179 -7.695 0.331 1.00 0.00 C ATOM 704 O ALA A 48 -5.947 -6.492 0.221 1.00 0.00 O ATOM 705 CB ALA A 48 -7.304 -8.550 2.445 1.00 0.00 C ATOM 0 H ALA A 48 -8.114 -10.170 0.803 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.197 -7.357 0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.931 -7.686 2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.263 -8.859 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.591 -9.370 2.530 1.00 0.00 H new ATOM 711 N MET A 49 -5.364 -8.657 -0.076 1.00 0.00 N ATOM 712 CA MET A 49 -4.091 -8.344 -0.703 1.00 0.00 C ATOM 713 C MET A 49 -4.235 -8.260 -2.224 1.00 0.00 C ATOM 714 O MET A 49 -3.246 -8.096 -2.936 1.00 0.00 O ATOM 715 CB MET A 49 -3.067 -9.423 -0.346 1.00 0.00 C ATOM 716 CG MET A 49 -2.081 -8.916 0.709 1.00 0.00 C ATOM 717 SD MET A 49 -0.450 -8.768 -0.002 1.00 0.00 S ATOM 718 CE MET A 49 -0.440 -7.027 -0.394 1.00 0.00 C ATOM 0 H MET A 49 -5.560 -9.654 0.016 1.00 0.00 H new ATOM 0 HA MET A 49 -3.754 -7.375 -0.335 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.582 -10.308 0.028 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.524 -9.724 -1.242 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.409 -7.949 1.091 1.00 0.00 H new ATOM 0 HG3 MET A 49 -2.057 -9.602 1.556 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.193 -6.854 -1.264 1.00 0.00 H new ATOM 0 HE2 MET A 49 -1.456 -6.698 -0.613 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.052 -6.465 0.455 1.00 0.00 H new ATOM 728 N LEU A 50 -5.475 -8.377 -2.676 1.00 0.00 N ATOM 729 CA LEU A 50 -5.761 -8.316 -4.099 1.00 0.00 C ATOM 730 C LEU A 50 -5.158 -9.542 -4.789 1.00 0.00 C ATOM 731 O LEU A 50 -5.884 -10.439 -5.215 1.00 0.00 O ATOM 732 CB LEU A 50 -5.287 -6.985 -4.685 1.00 0.00 C ATOM 733 CG LEU A 50 -5.930 -5.727 -4.098 1.00 0.00 C ATOM 734 CD1 LEU A 50 -7.437 -5.708 -4.360 1.00 0.00 C ATOM 735 CD2 LEU A 50 -5.605 -5.588 -2.610 1.00 0.00 C ATOM 0 H LEU A 50 -6.293 -8.514 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.837 -8.348 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.208 -6.915 -4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.473 -6.997 -5.759 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.505 -4.859 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.869 -4.803 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.620 -5.725 -5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.897 -6.582 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.074 -4.686 -2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.984 -6.457 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.525 -5.522 -2.478 1.00 0.00 H new ATOM 747 N GLY A 51 -3.836 -9.540 -4.878 1.00 0.00 N ATOM 748 CA GLY A 51 -3.128 -10.641 -5.508 1.00 0.00 C ATOM 749 C GLY A 51 -1.722 -10.214 -5.935 1.00 0.00 C ATOM 750 O GLY A 51 -1.264 -10.569 -7.020 1.00 0.00 O ATOM 0 H GLY A 51 -3.237 -8.794 -4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.063 -11.480 -4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.687 -10.988 -6.377 1.00 0.00 H new ATOM 754 N LEU A 52 -1.076 -9.458 -5.060 1.00 0.00 N ATOM 755 CA LEU A 52 0.269 -8.980 -5.332 1.00 0.00 C ATOM 756 C LEU A 52 0.962 -8.639 -4.012 1.00 0.00 C ATOM 757 O LEU A 52 0.341 -8.684 -2.951 1.00 0.00 O ATOM 758 CB LEU A 52 0.232 -7.816 -6.326 1.00 0.00 C ATOM 759 CG LEU A 52 -0.184 -6.459 -5.754 1.00 0.00 C ATOM 760 CD1 LEU A 52 0.967 -5.813 -4.982 1.00 0.00 C ATOM 761 CD2 LEU A 52 -0.722 -5.543 -6.855 1.00 0.00 C ATOM 0 H LEU A 52 -1.459 -9.164 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 52 0.861 -9.760 -5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.222 -7.713 -6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.455 -8.074 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.995 -6.621 -5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.644 -4.850 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.263 -6.463 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.815 -5.665 -5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.011 -4.585 -6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.052 -5.384 -7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.591 -6.007 -7.322 1.00 0.00 H new ATOM 773 N LYS A 53 2.240 -8.305 -4.120 1.00 0.00 N ATOM 774 CA LYS A 53 3.024 -7.957 -2.947 1.00 0.00 C ATOM 775 C LYS A 53 3.727 -6.620 -3.188 1.00 0.00 C ATOM 776 O LYS A 53 4.347 -6.419 -4.231 1.00 0.00 O ATOM 777 CB LYS A 53 3.978 -9.097 -2.583 1.00 0.00 C ATOM 778 CG LYS A 53 3.980 -9.348 -1.073 1.00 0.00 C ATOM 779 CD LYS A 53 5.395 -9.240 -0.502 1.00 0.00 C ATOM 780 CE LYS A 53 5.384 -8.554 0.866 1.00 0.00 C ATOM 781 NZ LYS A 53 4.768 -9.435 1.883 1.00 0.00 N ATOM 0 H LYS A 53 2.752 -8.268 -5.002 1.00 0.00 H new ATOM 0 HA LYS A 53 2.376 -7.825 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.681 -10.006 -3.106 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.987 -8.853 -2.916 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.329 -8.626 -0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.574 -10.338 -0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.831 -10.235 -0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.026 -8.678 -1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.403 -8.304 1.162 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.831 -7.617 0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.769 -8.954 2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.789 -9.653 1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.313 -10.318 1.953 1.00 0.00 H new ATOM 795 N VAL A 54 3.607 -5.739 -2.205 1.00 0.00 N ATOM 796 CA VAL A 54 4.223 -4.427 -2.297 1.00 0.00 C ATOM 797 C VAL A 54 5.190 -4.239 -1.126 1.00 0.00 C ATOM 798 O VAL A 54 4.860 -4.562 0.014 1.00 0.00 O ATOM 799 CB VAL A 54 3.143 -3.345 -2.360 1.00 0.00 C ATOM 800 CG1 VAL A 54 3.768 -1.949 -2.422 1.00 0.00 C ATOM 801 CG2 VAL A 54 2.202 -3.577 -3.544 1.00 0.00 C ATOM 0 H VAL A 54 3.092 -5.909 -1.341 1.00 0.00 H new ATOM 0 HA VAL A 54 4.804 -4.341 -3.215 1.00 0.00 H new ATOM 0 HB VAL A 54 2.553 -3.408 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.979 -1.199 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.377 -1.783 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.394 -1.870 -3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.444 -2.794 -3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.773 -3.555 -4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.718 -4.548 -3.439 1.00 0.00 H new ATOM 811 N VAL A 55 6.364 -3.716 -1.448 1.00 0.00 N ATOM 812 CA VAL A 55 7.381 -3.482 -0.437 1.00 0.00 C ATOM 813 C VAL A 55 7.577 -1.975 -0.257 1.00 0.00 C ATOM 814 O VAL A 55 8.059 -1.295 -1.162 1.00 0.00 O ATOM 815 CB VAL A 55 8.672 -4.211 -0.814 1.00 0.00 C ATOM 816 CG1 VAL A 55 9.881 -3.579 -0.122 1.00 0.00 C ATOM 817 CG2 VAL A 55 8.573 -5.703 -0.491 1.00 0.00 C ATOM 0 H VAL A 55 6.634 -3.448 -2.394 1.00 0.00 H new ATOM 0 HA VAL A 55 7.064 -3.887 0.524 1.00 0.00 H new ATOM 0 HB VAL A 55 8.812 -4.110 -1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.785 -4.116 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.969 -2.535 -0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.752 -3.634 0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.504 -6.198 -0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.397 -5.833 0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.747 -6.142 -1.051 1.00 0.00 H new ATOM 827 N GLY A 56 7.192 -1.497 0.918 1.00 0.00 N ATOM 828 CA GLY A 56 7.319 -0.083 1.228 1.00 0.00 C ATOM 829 C GLY A 56 8.465 0.161 2.212 1.00 0.00 C ATOM 830 O GLY A 56 8.896 -0.756 2.909 1.00 0.00 O ATOM 0 H GLY A 56 6.792 -2.064 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.496 0.480 0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.385 0.285 1.653 1.00 0.00 H new ATOM 834 N GLY A 57 8.925 1.404 2.238 1.00 0.00 N ATOM 835 CA GLY A 57 10.012 1.780 3.126 1.00 0.00 C ATOM 836 C GLY A 57 11.335 1.877 2.363 1.00 0.00 C ATOM 837 O GLY A 57 12.388 2.085 2.962 1.00 0.00 O ATOM 0 H GLY A 57 8.565 2.163 1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.788 2.738 3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.103 1.046 3.927 1.00 0.00 H new ATOM 841 N LYS A 58 11.237 1.720 1.051 1.00 0.00 N ATOM 842 CA LYS A 58 12.412 1.787 0.199 1.00 0.00 C ATOM 843 C LYS A 58 12.943 3.222 0.181 1.00 0.00 C ATOM 844 O LYS A 58 12.222 4.150 -0.181 1.00 0.00 O ATOM 845 CB LYS A 58 12.099 1.230 -1.191 1.00 0.00 C ATOM 846 CG LYS A 58 13.331 1.290 -2.096 1.00 0.00 C ATOM 847 CD LYS A 58 13.805 -0.116 -2.471 1.00 0.00 C ATOM 848 CE LYS A 58 13.093 -0.618 -3.729 1.00 0.00 C ATOM 849 NZ LYS A 58 13.952 -1.571 -4.465 1.00 0.00 N ATOM 0 H LYS A 58 10.362 1.547 0.557 1.00 0.00 H new ATOM 0 HA LYS A 58 13.207 1.157 0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.757 0.199 -1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.285 1.800 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.096 1.851 -3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.134 1.825 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.882 -0.108 -2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.615 -0.800 -1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.155 -1.101 -3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.841 0.225 -4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.454 -1.902 -5.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.836 -1.098 -4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.171 -2.384 -3.854 1.00 0.00 H new ATOM 863 N MET A 59 14.200 3.359 0.577 1.00 0.00 N ATOM 864 CA MET A 59 14.836 4.665 0.612 1.00 0.00 C ATOM 865 C MET A 59 15.182 5.143 -0.800 1.00 0.00 C ATOM 866 O MET A 59 15.983 4.517 -1.492 1.00 0.00 O ATOM 867 CB MET A 59 16.112 4.590 1.453 1.00 0.00 C ATOM 868 CG MET A 59 15.972 5.414 2.734 1.00 0.00 C ATOM 869 SD MET A 59 16.061 7.156 2.352 1.00 0.00 S ATOM 870 CE MET A 59 14.778 7.775 3.427 1.00 0.00 C ATOM 0 H MET A 59 14.795 2.587 0.876 1.00 0.00 H new ATOM 0 HA MET A 59 14.140 5.376 1.056 1.00 0.00 H new ATOM 0 HB2 MET A 59 16.325 3.551 1.706 1.00 0.00 H new ATOM 0 HB3 MET A 59 16.958 4.956 0.871 1.00 0.00 H new ATOM 0 HG2 MET A 59 15.023 5.188 3.220 1.00 0.00 H new ATOM 0 HG3 MET A 59 16.761 5.146 3.436 1.00 0.00 H new ATOM 0 HE1 MET A 59 15.078 8.742 3.832 1.00 0.00 H new ATOM 0 HE2 MET A 59 13.853 7.889 2.861 1.00 0.00 H new ATOM 0 HE3 MET A 59 14.618 7.073 4.245 1.00 0.00 H new ATOM 880 N THR A 60 14.562 6.249 -1.184 1.00 0.00 N ATOM 881 CA THR A 60 14.795 6.819 -2.500 1.00 0.00 C ATOM 882 C THR A 60 16.058 7.682 -2.492 1.00 0.00 C ATOM 883 O THR A 60 16.797 7.699 -1.508 1.00 0.00 O ATOM 884 CB THR A 60 13.537 7.586 -2.913 1.00 0.00 C ATOM 885 OG1 THR A 60 13.140 8.265 -1.724 1.00 0.00 O ATOM 886 CG2 THR A 60 12.361 6.658 -3.223 1.00 0.00 C ATOM 0 H THR A 60 13.898 6.766 -0.607 1.00 0.00 H new ATOM 0 HA THR A 60 14.976 6.041 -3.241 1.00 0.00 H new ATOM 0 HB THR A 60 13.755 8.199 -3.788 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.476 7.726 -1.246 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.494 7.253 -3.511 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.630 5.990 -4.041 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.119 6.069 -2.338 1.00 0.00 H new ATOM 894 N GLU A 61 16.268 8.378 -3.600 1.00 0.00 N ATOM 895 CA GLU A 61 17.429 9.242 -3.732 1.00 0.00 C ATOM 896 C GLU A 61 17.115 10.640 -3.195 1.00 0.00 C ATOM 897 O GLU A 61 17.976 11.517 -3.197 1.00 0.00 O ATOM 898 CB GLU A 61 17.901 9.306 -5.186 1.00 0.00 C ATOM 899 CG GLU A 61 16.744 9.656 -6.123 1.00 0.00 C ATOM 900 CD GLU A 61 17.261 10.255 -7.433 1.00 0.00 C ATOM 901 OE1 GLU A 61 17.761 9.463 -8.261 1.00 0.00 O ATOM 902 OE2 GLU A 61 17.144 11.491 -7.577 1.00 0.00 O ATOM 0 H GLU A 61 15.654 8.361 -4.414 1.00 0.00 H new ATOM 0 HA GLU A 61 18.241 8.821 -3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 61 18.691 10.051 -5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 61 18.330 8.347 -5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.159 8.761 -6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.076 10.365 -5.633 1.00 0.00 H new ATOM 909 N SER A 62 15.878 10.803 -2.749 1.00 0.00 N ATOM 910 CA SER A 62 15.439 12.080 -2.210 1.00 0.00 C ATOM 911 C SER A 62 15.271 11.977 -0.693 1.00 0.00 C ATOM 912 O SER A 62 14.721 12.880 -0.064 1.00 0.00 O ATOM 913 CB SER A 62 14.130 12.531 -2.860 1.00 0.00 C ATOM 914 OG SER A 62 14.230 13.842 -3.410 1.00 0.00 O ATOM 0 H SER A 62 15.166 10.073 -2.750 1.00 0.00 H new ATOM 0 HA SER A 62 16.201 12.827 -2.435 1.00 0.00 H new ATOM 0 HB2 SER A 62 13.855 11.828 -3.646 1.00 0.00 H new ATOM 0 HB3 SER A 62 13.331 12.509 -2.119 1.00 0.00 H new ATOM 0 HG SER A 62 13.374 14.092 -3.817 1.00 0.00 H new ATOM 920 N GLY A 63 15.756 10.870 -0.149 1.00 0.00 N ATOM 921 CA GLY A 63 15.666 10.639 1.282 1.00 0.00 C ATOM 922 C GLY A 63 14.218 10.385 1.707 1.00 0.00 C ATOM 923 O GLY A 63 13.835 10.692 2.835 1.00 0.00 O ATOM 0 H GLY A 63 16.212 10.124 -0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.284 9.784 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.060 11.502 1.819 1.00 0.00 H new ATOM 927 N ARG A 64 13.453 9.826 0.781 1.00 0.00 N ATOM 928 CA ARG A 64 12.056 9.527 1.045 1.00 0.00 C ATOM 929 C ARG A 64 11.793 8.029 0.883 1.00 0.00 C ATOM 930 O ARG A 64 12.663 7.289 0.426 1.00 0.00 O ATOM 931 CB ARG A 64 11.138 10.304 0.099 1.00 0.00 C ATOM 932 CG ARG A 64 10.750 11.657 0.699 1.00 0.00 C ATOM 933 CD ARG A 64 9.618 12.307 -0.099 1.00 0.00 C ATOM 934 NE ARG A 64 9.734 13.781 -0.034 1.00 0.00 N ATOM 935 CZ ARG A 64 8.855 14.629 -0.584 1.00 0.00 C ATOM 936 NH1 ARG A 64 7.789 14.155 -1.243 1.00 0.00 N ATOM 937 NH2 ARG A 64 9.041 15.951 -0.474 1.00 0.00 N ATOM 0 H ARG A 64 13.774 9.572 -0.153 1.00 0.00 H new ATOM 0 HA ARG A 64 11.841 9.828 2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.640 10.456 -0.857 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.240 9.720 -0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.439 11.523 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.618 12.317 0.709 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.657 11.976 -1.137 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.654 11.992 0.300 1.00 0.00 H new ATOM 0 HE ARG A 64 10.534 14.176 0.461 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.647 13.148 -1.326 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.120 14.801 -1.662 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.852 16.312 0.029 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.372 16.597 -0.893 1.00 0.00 H new ATOM 951 N LEU A 65 10.591 7.626 1.266 1.00 0.00 N ATOM 952 CA LEU A 65 10.203 6.229 1.169 1.00 0.00 C ATOM 953 C LEU A 65 9.227 6.055 0.003 1.00 0.00 C ATOM 954 O LEU A 65 8.527 6.995 -0.370 1.00 0.00 O ATOM 955 CB LEU A 65 9.656 5.730 2.508 1.00 0.00 C ATOM 956 CG LEU A 65 10.584 5.893 3.714 1.00 0.00 C ATOM 957 CD1 LEU A 65 9.821 5.687 5.024 1.00 0.00 C ATOM 958 CD2 LEU A 65 11.795 4.965 3.603 1.00 0.00 C ATOM 0 H LEU A 65 9.872 8.243 1.644 1.00 0.00 H new ATOM 0 HA LEU A 65 11.072 5.607 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.725 6.257 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.408 4.674 2.406 1.00 0.00 H new ATOM 0 HG LEU A 65 10.962 6.915 3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.503 5.808 5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.020 6.422 5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.396 4.684 5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.438 5.101 4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.457 3.930 3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.354 5.203 2.698 1.00 0.00 H new ATOM 970 N CYS A 66 9.213 4.846 -0.540 1.00 0.00 N ATOM 971 CA CYS A 66 8.335 4.537 -1.655 1.00 0.00 C ATOM 972 C CYS A 66 7.963 3.055 -1.577 1.00 0.00 C ATOM 973 O CYS A 66 8.583 2.294 -0.836 1.00 0.00 O ATOM 974 CB CYS A 66 8.978 4.894 -2.997 1.00 0.00 C ATOM 975 SG CYS A 66 10.668 4.197 -3.086 1.00 0.00 S ATOM 0 H CYS A 66 9.796 4.069 -0.228 1.00 0.00 H new ATOM 0 HA CYS A 66 7.431 5.142 -1.588 1.00 0.00 H new ATOM 0 HB2 CYS A 66 8.372 4.505 -3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 66 9.016 5.977 -3.115 1.00 0.00 H new ATOM 0 HG CYS A 66 10.791 3.495 -4.173 1.00 0.00 H new ATOM 981 N ALA A 67 6.952 2.690 -2.352 1.00 0.00 N ATOM 982 CA ALA A 67 6.489 1.313 -2.379 1.00 0.00 C ATOM 983 C ALA A 67 6.467 0.816 -3.826 1.00 0.00 C ATOM 984 O ALA A 67 5.859 1.443 -4.692 1.00 0.00 O ATOM 985 CB ALA A 67 5.116 1.222 -1.711 1.00 0.00 C ATOM 0 H ALA A 67 6.441 3.324 -2.966 1.00 0.00 H new ATOM 0 HA ALA A 67 7.167 0.669 -1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.769 0.189 -1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.191 1.559 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.408 1.853 -2.248 1.00 0.00 H new ATOM 991 N PHE A 68 7.139 -0.305 -4.043 1.00 0.00 N ATOM 992 CA PHE A 68 7.204 -0.894 -5.370 1.00 0.00 C ATOM 993 C PHE A 68 6.690 -2.335 -5.356 1.00 0.00 C ATOM 994 O PHE A 68 6.826 -3.037 -4.356 1.00 0.00 O ATOM 995 CB PHE A 68 8.676 -0.894 -5.787 1.00 0.00 C ATOM 996 CG PHE A 68 9.308 0.498 -5.838 1.00 0.00 C ATOM 997 CD1 PHE A 68 8.809 1.441 -6.682 1.00 0.00 C ATOM 998 CD2 PHE A 68 10.370 0.793 -5.041 1.00 0.00 C ATOM 999 CE1 PHE A 68 9.396 2.734 -6.729 1.00 0.00 C ATOM 1000 CE2 PHE A 68 10.957 2.085 -5.089 1.00 0.00 C ATOM 1001 CZ PHE A 68 10.457 3.028 -5.932 1.00 0.00 C ATOM 0 H PHE A 68 7.643 -0.821 -3.322 1.00 0.00 H new ATOM 0 HA PHE A 68 6.585 -0.323 -6.062 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.241 -1.513 -5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.765 -1.358 -6.769 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.967 1.207 -7.316 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.767 0.044 -4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.999 3.483 -7.398 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.800 2.319 -4.456 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.903 4.011 -5.968 1.00 0.00 H new ATOM 1011 N ILE A 69 6.110 -2.733 -6.479 1.00 0.00 N ATOM 1012 CA ILE A 69 5.575 -4.077 -6.609 1.00 0.00 C ATOM 1013 C ILE A 69 6.731 -5.073 -6.722 1.00 0.00 C ATOM 1014 O ILE A 69 7.687 -4.839 -7.460 1.00 0.00 O ATOM 1015 CB ILE A 69 4.585 -4.150 -7.774 1.00 0.00 C ATOM 1016 CG1 ILE A 69 3.388 -3.227 -7.535 1.00 0.00 C ATOM 1017 CG2 ILE A 69 4.153 -5.594 -8.037 1.00 0.00 C ATOM 1018 CD1 ILE A 69 2.487 -3.167 -8.770 1.00 0.00 C ATOM 0 H ILE A 69 5.999 -2.148 -7.307 1.00 0.00 H new ATOM 0 HA ILE A 69 5.006 -4.347 -5.720 1.00 0.00 H new ATOM 0 HB ILE A 69 5.089 -3.797 -8.673 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.815 -3.583 -6.679 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.740 -2.225 -7.288 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.450 -5.618 -8.869 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.027 -6.196 -8.284 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.674 -5.998 -7.146 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.644 -2.504 -8.574 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.057 -2.787 -9.618 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.117 -4.166 -8.999 1.00 0.00 H new ATOM 1030 N THR A 70 6.606 -6.163 -5.978 1.00 0.00 N ATOM 1031 CA THR A 70 7.629 -7.195 -5.985 1.00 0.00 C ATOM 1032 C THR A 70 7.130 -8.435 -6.728 1.00 0.00 C ATOM 1033 O THR A 70 7.864 -9.029 -7.516 1.00 0.00 O ATOM 1034 CB THR A 70 8.028 -7.475 -4.535 1.00 0.00 C ATOM 1035 OG1 THR A 70 6.895 -8.142 -3.986 1.00 0.00 O ATOM 1036 CG2 THR A 70 8.146 -6.196 -3.703 1.00 0.00 C ATOM 0 H THR A 70 5.812 -6.354 -5.367 1.00 0.00 H new ATOM 0 HA THR A 70 8.518 -6.867 -6.524 1.00 0.00 H new ATOM 0 HB THR A 70 8.978 -8.009 -4.517 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.123 -8.503 -3.104 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.431 -6.451 -2.682 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.904 -5.546 -4.140 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.187 -5.679 -3.693 1.00 0.00 H new ATOM 1044 N LYS A 71 5.883 -8.790 -6.452 1.00 0.00 N ATOM 1045 CA LYS A 71 5.277 -9.949 -7.084 1.00 0.00 C ATOM 1046 C LYS A 71 3.774 -9.712 -7.240 1.00 0.00 C ATOM 1047 O LYS A 71 3.163 -9.019 -6.427 1.00 0.00 O ATOM 1048 CB LYS A 71 5.622 -11.223 -6.310 1.00 0.00 C ATOM 1049 CG LYS A 71 5.185 -12.469 -7.083 1.00 0.00 C ATOM 1050 CD LYS A 71 6.224 -13.585 -6.956 1.00 0.00 C ATOM 1051 CE LYS A 71 6.513 -14.223 -8.316 1.00 0.00 C ATOM 1052 NZ LYS A 71 7.858 -14.839 -8.324 1.00 0.00 N ATOM 0 H LYS A 71 5.276 -8.295 -5.799 1.00 0.00 H new ATOM 0 HA LYS A 71 5.683 -10.092 -8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.696 -11.262 -6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.133 -11.205 -5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.224 -12.817 -6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.042 -12.218 -8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.146 -13.182 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.863 -14.345 -6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.759 -14.979 -8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.448 -13.468 -9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.038 -15.267 -9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.575 -14.110 -8.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.908 -15.573 -7.589 1.00 0.00 H new ATOM 1066 N VAL A 72 3.220 -10.300 -8.290 1.00 0.00 N ATOM 1067 CA VAL A 72 1.800 -10.161 -8.563 1.00 0.00 C ATOM 1068 C VAL A 72 1.258 -11.483 -9.111 1.00 0.00 C ATOM 1069 O VAL A 72 1.624 -11.901 -10.208 1.00 0.00 O ATOM 1070 CB VAL A 72 1.561 -8.981 -9.507 1.00 0.00 C ATOM 1071 CG1 VAL A 72 2.774 -8.746 -10.409 1.00 0.00 C ATOM 1072 CG2 VAL A 72 0.293 -9.190 -10.337 1.00 0.00 C ATOM 0 H VAL A 72 3.729 -10.874 -8.962 1.00 0.00 H new ATOM 0 HA VAL A 72 1.255 -9.941 -7.645 1.00 0.00 H new ATOM 0 HB VAL A 72 1.419 -8.089 -8.898 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.578 -7.902 -11.070 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.648 -8.530 -9.794 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.962 -9.638 -11.006 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.147 -8.337 -10.999 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.393 -10.098 -10.932 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.566 -9.284 -9.672 1.00 0.00 H new ATOM 1082 N LYS A 73 0.395 -12.105 -8.321 1.00 0.00 N ATOM 1083 CA LYS A 73 -0.201 -13.371 -8.713 1.00 0.00 C ATOM 1084 C LYS A 73 -0.838 -13.223 -10.096 1.00 0.00 C ATOM 1085 O LYS A 73 -1.547 -12.253 -10.356 1.00 0.00 O ATOM 1086 CB LYS A 73 -1.172 -13.862 -7.637 1.00 0.00 C ATOM 1087 CG LYS A 73 -1.589 -15.311 -7.895 1.00 0.00 C ATOM 1088 CD LYS A 73 -0.541 -16.287 -7.356 1.00 0.00 C ATOM 1089 CE LYS A 73 -0.898 -17.730 -7.720 1.00 0.00 C ATOM 1090 NZ LYS A 73 0.328 -18.549 -7.854 1.00 0.00 N ATOM 0 H LYS A 73 0.094 -11.756 -7.411 1.00 0.00 H new ATOM 0 HA LYS A 73 0.564 -14.143 -8.795 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.703 -13.784 -6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.055 -13.223 -7.620 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.551 -15.506 -7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.723 -15.470 -8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.438 -16.037 -7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.470 -16.188 -6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.545 -18.156 -6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.458 -17.748 -8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.068 -19.525 -8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.931 -18.151 -8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.847 -18.547 -6.953 1.00 0.00 H new ATOM 1104 N LYS A 74 -0.563 -14.201 -10.946 1.00 0.00 N ATOM 1105 CA LYS A 74 -1.101 -14.192 -12.296 1.00 0.00 C ATOM 1106 C LYS A 74 -2.492 -14.828 -12.290 1.00 0.00 C ATOM 1107 O LYS A 74 -2.622 -16.046 -12.180 1.00 0.00 O ATOM 1108 CB LYS A 74 -0.124 -14.860 -13.266 1.00 0.00 C ATOM 1109 CG LYS A 74 -0.802 -15.166 -14.603 1.00 0.00 C ATOM 1110 CD LYS A 74 -1.057 -16.666 -14.758 1.00 0.00 C ATOM 1111 CE LYS A 74 0.109 -17.350 -15.474 1.00 0.00 C ATOM 1112 NZ LYS A 74 -0.382 -18.456 -16.325 1.00 0.00 N ATOM 0 H LYS A 74 0.025 -15.005 -10.726 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.219 -13.169 -12.652 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.734 -14.208 -13.430 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.256 -15.783 -12.827 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.746 -14.624 -14.669 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.175 -14.814 -15.422 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.200 -17.117 -13.776 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.977 -16.826 -15.320 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.645 -16.623 -16.085 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.818 -17.735 -14.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.422 -18.909 -16.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.873 -19.157 -15.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.041 -18.080 -17.036 1.00 0.00 H new ATOM 1126 N GLY A 75 -3.498 -13.974 -12.410 1.00 0.00 N ATOM 1127 CA GLY A 75 -4.875 -14.437 -12.420 1.00 0.00 C ATOM 1128 C GLY A 75 -5.642 -13.905 -11.207 1.00 0.00 C ATOM 1129 O GLY A 75 -6.659 -14.473 -10.812 1.00 0.00 O ATOM 0 H GLY A 75 -3.387 -12.964 -12.501 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.366 -14.110 -13.337 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.896 -15.527 -12.418 1.00 0.00 H new ATOM 1133 N SER A 76 -5.124 -12.821 -10.649 1.00 0.00 N ATOM 1134 CA SER A 76 -5.746 -12.205 -9.489 1.00 0.00 C ATOM 1135 C SER A 76 -6.214 -10.790 -9.835 1.00 0.00 C ATOM 1136 O SER A 76 -5.911 -10.279 -10.912 1.00 0.00 O ATOM 1137 CB SER A 76 -4.783 -12.170 -8.301 1.00 0.00 C ATOM 1138 OG SER A 76 -4.458 -13.479 -7.839 1.00 0.00 O ATOM 0 H SER A 76 -4.280 -12.353 -10.979 1.00 0.00 H new ATOM 0 HA SER A 76 -6.609 -12.807 -9.204 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.870 -11.650 -8.590 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.231 -11.599 -7.488 1.00 0.00 H new ATOM 0 HG SER A 76 -4.118 -13.427 -6.921 1.00 0.00 H new ATOM 1144 N LEU A 77 -6.944 -10.198 -8.902 1.00 0.00 N ATOM 1145 CA LEU A 77 -7.456 -8.852 -9.095 1.00 0.00 C ATOM 1146 C LEU A 77 -6.351 -7.969 -9.678 1.00 0.00 C ATOM 1147 O LEU A 77 -6.487 -7.448 -10.784 1.00 0.00 O ATOM 1148 CB LEU A 77 -8.050 -8.313 -7.792 1.00 0.00 C ATOM 1149 CG LEU A 77 -9.466 -8.785 -7.455 1.00 0.00 C ATOM 1150 CD1 LEU A 77 -10.427 -8.504 -8.612 1.00 0.00 C ATOM 1151 CD2 LEU A 77 -9.472 -10.260 -7.051 1.00 0.00 C ATOM 0 H LEU A 77 -7.193 -10.626 -8.010 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.275 -8.856 -9.815 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.390 -8.594 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.053 -7.224 -7.840 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.820 -8.215 -6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.426 -8.849 -8.347 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.454 -7.433 -8.811 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.086 -9.030 -9.504 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.491 -10.569 -6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.090 -10.864 -7.874 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.840 -10.400 -6.174 1.00 0.00 H new ATOM 1163 N ALA A 78 -5.282 -7.828 -8.908 1.00 0.00 N ATOM 1164 CA ALA A 78 -4.154 -7.017 -9.335 1.00 0.00 C ATOM 1165 C ALA A 78 -3.361 -7.775 -10.401 1.00 0.00 C ATOM 1166 O ALA A 78 -2.179 -8.058 -10.216 1.00 0.00 O ATOM 1167 CB ALA A 78 -3.298 -6.654 -8.120 1.00 0.00 C ATOM 0 H ALA A 78 -5.173 -8.261 -7.991 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.499 -6.084 -9.782 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.452 -6.046 -8.440 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.900 -6.092 -7.406 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.932 -7.565 -7.648 1.00 0.00 H new ATOM 1173 N ASP A 79 -4.044 -8.082 -11.494 1.00 0.00 N ATOM 1174 CA ASP A 79 -3.418 -8.801 -12.591 1.00 0.00 C ATOM 1175 C ASP A 79 -4.458 -9.064 -13.682 1.00 0.00 C ATOM 1176 O ASP A 79 -4.201 -8.822 -14.860 1.00 0.00 O ATOM 1177 CB ASP A 79 -2.872 -10.151 -12.123 1.00 0.00 C ATOM 1178 CG ASP A 79 -1.814 -10.772 -13.036 1.00 0.00 C ATOM 1179 OD1 ASP A 79 -0.639 -10.366 -12.902 1.00 0.00 O ATOM 1180 OD2 ASP A 79 -2.203 -11.640 -13.848 1.00 0.00 O ATOM 0 H ASP A 79 -5.025 -7.846 -11.644 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.598 -8.191 -12.970 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.444 -10.028 -11.128 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.704 -10.849 -12.028 1.00 0.00 H new ATOM 1185 N THR A 80 -5.610 -9.557 -13.251 1.00 0.00 N ATOM 1186 CA THR A 80 -6.689 -9.855 -14.176 1.00 0.00 C ATOM 1187 C THR A 80 -7.440 -8.576 -14.550 1.00 0.00 C ATOM 1188 O THR A 80 -7.862 -8.411 -15.694 1.00 0.00 O ATOM 1189 CB THR A 80 -7.583 -10.918 -13.534 1.00 0.00 C ATOM 1190 OG1 THR A 80 -7.943 -10.354 -12.276 1.00 0.00 O ATOM 1191 CG2 THR A 80 -6.811 -12.187 -13.166 1.00 0.00 C ATOM 0 H THR A 80 -5.819 -9.757 -12.273 1.00 0.00 H new ATOM 0 HA THR A 80 -6.305 -10.256 -15.114 1.00 0.00 H new ATOM 0 HB THR A 80 -8.394 -11.171 -14.217 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.170 -9.889 -11.893 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.491 -12.909 -12.714 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.370 -12.618 -14.065 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.021 -11.940 -12.457 1.00 0.00 H new ATOM 1199 N VAL A 81 -7.585 -7.703 -13.564 1.00 0.00 N ATOM 1200 CA VAL A 81 -8.278 -6.443 -13.776 1.00 0.00 C ATOM 1201 C VAL A 81 -7.267 -5.295 -13.725 1.00 0.00 C ATOM 1202 O VAL A 81 -7.348 -4.357 -14.517 1.00 0.00 O ATOM 1203 CB VAL A 81 -9.407 -6.289 -12.755 1.00 0.00 C ATOM 1204 CG1 VAL A 81 -10.590 -7.194 -13.107 1.00 0.00 C ATOM 1205 CG2 VAL A 81 -8.906 -6.568 -11.337 1.00 0.00 C ATOM 0 H VAL A 81 -7.235 -7.843 -12.616 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.743 -6.424 -14.762 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.753 -5.256 -12.790 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.379 -7.066 -12.366 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.971 -6.928 -14.093 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.263 -8.234 -13.113 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.728 -6.452 -10.631 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.521 -7.586 -11.281 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.111 -5.865 -11.087 1.00 0.00 H new ATOM 1215 N GLY A 82 -6.338 -5.408 -12.788 1.00 0.00 N ATOM 1216 CA GLY A 82 -5.312 -4.392 -12.624 1.00 0.00 C ATOM 1217 C GLY A 82 -4.196 -4.568 -13.655 1.00 0.00 C ATOM 1218 O GLY A 82 -3.664 -3.588 -14.174 1.00 0.00 O ATOM 0 H GLY A 82 -6.274 -6.188 -12.134 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.756 -3.402 -12.729 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.895 -4.450 -11.618 1.00 0.00 H new ATOM 1222 N HIS A 83 -3.873 -5.825 -13.921 1.00 0.00 N ATOM 1223 CA HIS A 83 -2.829 -6.143 -14.881 1.00 0.00 C ATOM 1224 C HIS A 83 -1.529 -5.449 -14.473 1.00 0.00 C ATOM 1225 O HIS A 83 -0.813 -4.916 -15.320 1.00 0.00 O ATOM 1226 CB HIS A 83 -3.271 -5.787 -16.302 1.00 0.00 C ATOM 1227 CG HIS A 83 -4.618 -6.352 -16.686 1.00 0.00 C ATOM 1228 ND1 HIS A 83 -4.784 -7.646 -17.150 1.00 0.00 N ATOM 1229 CD2 HIS A 83 -5.859 -5.787 -16.670 1.00 0.00 C ATOM 1230 CE1 HIS A 83 -6.070 -7.839 -17.399 1.00 0.00 C ATOM 1231 NE2 HIS A 83 -6.735 -6.686 -17.101 1.00 0.00 N ATOM 0 H HIS A 83 -4.316 -6.636 -13.488 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.643 -7.217 -14.879 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.302 -4.702 -16.401 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.522 -6.150 -17.006 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -6.090 -4.779 -16.359 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -6.514 -8.750 -17.773 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -7.740 -6.539 -17.194 1.00 0.00 H new ATOM 1239 N LEU A 84 -1.261 -5.478 -13.176 1.00 0.00 N ATOM 1240 CA LEU A 84 -0.059 -4.858 -12.645 1.00 0.00 C ATOM 1241 C LEU A 84 1.145 -5.753 -12.942 1.00 0.00 C ATOM 1242 O LEU A 84 1.006 -6.794 -13.583 1.00 0.00 O ATOM 1243 CB LEU A 84 -0.234 -4.534 -11.160 1.00 0.00 C ATOM 1244 CG LEU A 84 -1.435 -3.657 -10.802 1.00 0.00 C ATOM 1245 CD1 LEU A 84 -2.229 -4.262 -9.642 1.00 0.00 C ATOM 1246 CD2 LEU A 84 -0.997 -2.221 -10.509 1.00 0.00 C ATOM 0 H LEU A 84 -1.856 -5.922 -12.477 1.00 0.00 H new ATOM 0 HA LEU A 84 0.125 -3.902 -13.136 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.318 -5.472 -10.611 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.671 -4.038 -10.808 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.101 -3.621 -11.664 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.077 -3.619 -9.407 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.590 -5.251 -9.925 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.586 -4.348 -8.766 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.870 -1.619 -10.257 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.300 -2.217 -9.671 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.509 -1.803 -11.389 1.00 0.00 H new ATOM 1258 N ARG A 85 2.300 -5.316 -12.462 1.00 0.00 N ATOM 1259 CA ARG A 85 3.528 -6.066 -12.668 1.00 0.00 C ATOM 1260 C ARG A 85 4.522 -5.775 -11.542 1.00 0.00 C ATOM 1261 O ARG A 85 4.505 -4.693 -10.958 1.00 0.00 O ATOM 1262 CB ARG A 85 4.170 -5.712 -14.011 1.00 0.00 C ATOM 1263 CG ARG A 85 3.737 -6.693 -15.102 1.00 0.00 C ATOM 1264 CD ARG A 85 3.682 -6.006 -16.467 1.00 0.00 C ATOM 1265 NE ARG A 85 4.036 -6.969 -17.534 1.00 0.00 N ATOM 1266 CZ ARG A 85 4.138 -6.650 -18.831 1.00 0.00 C ATOM 1267 NH1 ARG A 85 3.913 -5.391 -19.231 1.00 0.00 N ATOM 1268 NH2 ARG A 85 4.464 -7.590 -19.729 1.00 0.00 N ATOM 0 H ARG A 85 2.412 -4.452 -11.931 1.00 0.00 H new ATOM 0 HA ARG A 85 3.274 -7.126 -12.668 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.889 -4.698 -14.296 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.256 -5.727 -13.914 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.434 -7.530 -15.140 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.757 -7.104 -14.858 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.683 -5.607 -16.643 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.370 -5.161 -16.486 1.00 0.00 H new ATOM 0 HE ARG A 85 4.213 -7.937 -17.265 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.664 -4.676 -18.548 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.991 -5.148 -20.219 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.634 -8.549 -19.425 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.542 -7.347 -20.717 1.00 0.00 H new ATOM 1282 N PRO A 86 5.387 -6.787 -11.264 1.00 0.00 N ATOM 1283 CA PRO A 86 6.387 -6.651 -10.219 1.00 0.00 C ATOM 1284 C PRO A 86 7.535 -5.747 -10.673 1.00 0.00 C ATOM 1285 O PRO A 86 8.440 -6.193 -11.376 1.00 0.00 O ATOM 1286 CB PRO A 86 6.834 -8.071 -9.914 1.00 0.00 C ATOM 1287 CG PRO A 86 6.414 -8.906 -11.113 1.00 0.00 C ATOM 1288 CD PRO A 86 5.437 -8.083 -11.935 1.00 0.00 C ATOM 0 HA PRO A 86 5.995 -6.170 -9.323 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.913 -8.117 -9.764 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.369 -8.439 -8.999 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.283 -9.177 -11.712 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.949 -9.836 -10.786 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.774 -7.982 -12.967 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.453 -8.551 -11.966 1.00 0.00 H new ATOM 1296 N GLY A 87 7.461 -4.493 -10.251 1.00 0.00 N ATOM 1297 CA GLY A 87 8.483 -3.523 -10.605 1.00 0.00 C ATOM 1298 C GLY A 87 7.907 -2.106 -10.636 1.00 0.00 C ATOM 1299 O GLY A 87 8.648 -1.129 -10.538 1.00 0.00 O ATOM 0 H GLY A 87 6.709 -4.127 -9.667 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.300 -3.571 -9.885 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.902 -3.770 -11.580 1.00 0.00 H new ATOM 1303 N ASP A 88 6.591 -2.039 -10.771 1.00 0.00 N ATOM 1304 CA ASP A 88 5.907 -0.758 -10.816 1.00 0.00 C ATOM 1305 C ASP A 88 6.078 -0.047 -9.472 1.00 0.00 C ATOM 1306 O ASP A 88 6.703 -0.582 -8.558 1.00 0.00 O ATOM 1307 CB ASP A 88 4.408 -0.942 -11.065 1.00 0.00 C ATOM 1308 CG ASP A 88 3.920 -0.481 -12.440 1.00 0.00 C ATOM 1309 OD1 ASP A 88 4.482 0.520 -12.935 1.00 0.00 O ATOM 1310 OD2 ASP A 88 2.997 -1.140 -12.965 1.00 0.00 O ATOM 0 H ASP A 88 5.980 -2.852 -10.851 1.00 0.00 H new ATOM 0 HA ASP A 88 6.339 -0.173 -11.628 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.161 -1.997 -10.943 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.858 -0.396 -10.299 1.00 0.00 H new ATOM 1315 N GLU A 89 5.513 1.149 -9.396 1.00 0.00 N ATOM 1316 CA GLU A 89 5.596 1.940 -8.179 1.00 0.00 C ATOM 1317 C GLU A 89 4.208 2.440 -7.776 1.00 0.00 C ATOM 1318 O GLU A 89 3.702 3.405 -8.347 1.00 0.00 O ATOM 1319 CB GLU A 89 6.572 3.106 -8.349 1.00 0.00 C ATOM 1320 CG GLU A 89 6.623 3.966 -7.084 1.00 0.00 C ATOM 1321 CD GLU A 89 7.376 5.273 -7.340 1.00 0.00 C ATOM 1322 OE1 GLU A 89 7.347 5.726 -8.505 1.00 0.00 O ATOM 1323 OE2 GLU A 89 7.963 5.790 -6.366 1.00 0.00 O ATOM 0 H GLU A 89 4.996 1.590 -10.157 1.00 0.00 H new ATOM 0 HA GLU A 89 5.977 1.304 -7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.567 2.722 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.268 3.719 -9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.610 4.186 -6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.111 3.412 -6.282 1.00 0.00 H new ATOM 1330 N VAL A 90 3.631 1.761 -6.795 1.00 0.00 N ATOM 1331 CA VAL A 90 2.311 2.125 -6.309 1.00 0.00 C ATOM 1332 C VAL A 90 2.419 3.384 -5.446 1.00 0.00 C ATOM 1333 O VAL A 90 2.818 3.313 -4.285 1.00 0.00 O ATOM 1334 CB VAL A 90 1.683 0.944 -5.566 1.00 0.00 C ATOM 1335 CG1 VAL A 90 2.655 0.364 -4.536 1.00 0.00 C ATOM 1336 CG2 VAL A 90 0.363 1.349 -4.907 1.00 0.00 C ATOM 0 H VAL A 90 4.054 0.961 -6.324 1.00 0.00 H new ATOM 0 HA VAL A 90 1.648 2.358 -7.142 1.00 0.00 H new ATOM 0 HB VAL A 90 1.467 0.166 -6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.184 -0.474 -4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.557 0.019 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.918 1.133 -3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.062 0.491 -4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.544 2.153 -4.194 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.335 1.692 -5.671 1.00 0.00 H new ATOM 1346 N LEU A 91 2.056 4.508 -6.048 1.00 0.00 N ATOM 1347 CA LEU A 91 2.107 5.781 -5.349 1.00 0.00 C ATOM 1348 C LEU A 91 1.150 5.742 -4.157 1.00 0.00 C ATOM 1349 O LEU A 91 1.569 5.914 -3.013 1.00 0.00 O ATOM 1350 CB LEU A 91 1.838 6.934 -6.317 1.00 0.00 C ATOM 1351 CG LEU A 91 2.823 7.080 -7.479 1.00 0.00 C ATOM 1352 CD1 LEU A 91 2.554 8.362 -8.269 1.00 0.00 C ATOM 1353 CD2 LEU A 91 4.269 7.003 -6.984 1.00 0.00 C ATOM 0 H LEU A 91 1.726 4.563 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 91 3.106 5.957 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.837 6.809 -6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.836 7.865 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 91 2.672 6.244 -8.162 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.268 8.441 -9.089 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.541 8.336 -8.671 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.661 9.224 -7.611 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.949 7.109 -7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.452 7.804 -6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.438 6.040 -6.502 1.00 0.00 H new ATOM 1365 N GLU A 92 -0.119 5.514 -4.465 1.00 0.00 N ATOM 1366 CA GLU A 92 -1.140 5.451 -3.432 1.00 0.00 C ATOM 1367 C GLU A 92 -1.792 4.067 -3.416 1.00 0.00 C ATOM 1368 O GLU A 92 -1.594 3.272 -4.333 1.00 0.00 O ATOM 1369 CB GLU A 92 -2.187 6.549 -3.628 1.00 0.00 C ATOM 1370 CG GLU A 92 -1.523 7.918 -3.789 1.00 0.00 C ATOM 1371 CD GLU A 92 -1.993 8.609 -5.070 1.00 0.00 C ATOM 1372 OE1 GLU A 92 -3.198 8.480 -5.375 1.00 0.00 O ATOM 1373 OE2 GLU A 92 -1.136 9.250 -5.716 1.00 0.00 O ATOM 0 H GLU A 92 -0.463 5.371 -5.414 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.664 5.618 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.790 6.328 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.864 6.567 -2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.757 8.543 -2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.440 7.800 -3.812 1.00 0.00 H new ATOM 1380 N TRP A 93 -2.558 3.821 -2.362 1.00 0.00 N ATOM 1381 CA TRP A 93 -3.241 2.548 -2.214 1.00 0.00 C ATOM 1382 C TRP A 93 -4.640 2.823 -1.660 1.00 0.00 C ATOM 1383 O TRP A 93 -4.825 2.908 -0.447 1.00 0.00 O ATOM 1384 CB TRP A 93 -2.429 1.589 -1.340 1.00 0.00 C ATOM 1385 CG TRP A 93 -3.169 0.299 -0.980 1.00 0.00 C ATOM 1386 CD1 TRP A 93 -4.148 0.133 -0.080 1.00 0.00 C ATOM 1387 CD2 TRP A 93 -2.947 -1.008 -1.552 1.00 0.00 C ATOM 1388 NE1 TRP A 93 -4.572 -1.179 -0.030 1.00 0.00 N ATOM 1389 CE2 TRP A 93 -3.819 -1.895 -0.954 1.00 0.00 C ATOM 1390 CE3 TRP A 93 -2.041 -1.426 -2.542 1.00 0.00 C ATOM 1391 CZ2 TRP A 93 -3.869 -3.256 -1.278 1.00 0.00 C ATOM 1392 CZ3 TRP A 93 -2.104 -2.789 -2.854 1.00 0.00 C ATOM 1393 CH2 TRP A 93 -2.975 -3.695 -2.261 1.00 0.00 C ATOM 0 H TRP A 93 -2.720 4.483 -1.603 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.341 2.049 -3.178 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -1.506 1.333 -1.860 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -2.146 2.102 -0.421 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -4.554 0.927 0.530 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -5.303 -1.555 0.574 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.351 -0.749 -3.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.560 -3.931 -0.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.428 -3.163 -3.609 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -2.962 -4.733 -2.558 1.00 0.00 H new ATOM 1404 N ASN A 94 -5.589 2.954 -2.575 1.00 0.00 N ATOM 1405 CA ASN A 94 -6.966 3.218 -2.194 1.00 0.00 C ATOM 1406 C ASN A 94 -7.104 4.685 -1.782 1.00 0.00 C ATOM 1407 O ASN A 94 -8.040 5.049 -1.072 1.00 0.00 O ATOM 1408 CB ASN A 94 -7.383 2.352 -1.003 1.00 0.00 C ATOM 1409 CG ASN A 94 -8.775 1.756 -1.220 1.00 0.00 C ATOM 1410 OD1 ASN A 94 -9.592 2.275 -1.963 1.00 0.00 O ATOM 1411 ND2 ASN A 94 -9.000 0.641 -0.532 1.00 0.00 N ATOM 0 H ASN A 94 -5.431 2.882 -3.580 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.603 2.988 -3.048 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.658 1.550 -0.860 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.378 2.952 -0.093 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.900 0.167 -0.609 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.273 0.259 0.073 1.00 0.00 H new ATOM 1418 N GLY A 95 -6.157 5.488 -2.245 1.00 0.00 N ATOM 1419 CA GLY A 95 -6.162 6.908 -1.934 1.00 0.00 C ATOM 1420 C GLY A 95 -5.077 7.248 -0.910 1.00 0.00 C ATOM 1421 O GLY A 95 -4.765 8.418 -0.697 1.00 0.00 O ATOM 0 H GLY A 95 -5.381 5.183 -2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.001 7.484 -2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.138 7.195 -1.544 1.00 0.00 H new ATOM 1425 N ARG A 96 -4.532 6.203 -0.304 1.00 0.00 N ATOM 1426 CA ARG A 96 -3.488 6.377 0.692 1.00 0.00 C ATOM 1427 C ARG A 96 -2.115 6.430 0.019 1.00 0.00 C ATOM 1428 O ARG A 96 -1.652 5.434 -0.533 1.00 0.00 O ATOM 1429 CB ARG A 96 -3.505 5.236 1.712 1.00 0.00 C ATOM 1430 CG ARG A 96 -4.568 5.476 2.786 1.00 0.00 C ATOM 1431 CD ARG A 96 -3.926 5.913 4.104 1.00 0.00 C ATOM 1432 NE ARG A 96 -4.852 5.655 5.229 1.00 0.00 N ATOM 1433 CZ ARG A 96 -4.795 6.285 6.410 1.00 0.00 C ATOM 1434 NH1 ARG A 96 -3.854 7.214 6.628 1.00 0.00 N ATOM 1435 NH2 ARG A 96 -5.677 5.986 7.373 1.00 0.00 N ATOM 0 H ARG A 96 -4.794 5.234 -0.483 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.678 7.317 1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.703 4.292 1.204 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.524 5.147 2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.267 6.240 2.447 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.144 4.564 2.943 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.992 5.373 4.260 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -3.678 6.974 4.063 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.580 4.953 5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.182 7.441 5.895 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.810 7.694 7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.393 5.278 7.207 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.633 6.466 8.272 1.00 0.00 H new ATOM 1449 N LEU A 97 -1.503 7.603 0.088 1.00 0.00 N ATOM 1450 CA LEU A 97 -0.193 7.799 -0.508 1.00 0.00 C ATOM 1451 C LEU A 97 0.835 6.946 0.238 1.00 0.00 C ATOM 1452 O LEU A 97 0.870 6.943 1.467 1.00 0.00 O ATOM 1453 CB LEU A 97 0.159 9.288 -0.551 1.00 0.00 C ATOM 1454 CG LEU A 97 1.524 9.637 -1.147 1.00 0.00 C ATOM 1455 CD1 LEU A 97 1.369 10.425 -2.449 1.00 0.00 C ATOM 1456 CD2 LEU A 97 2.393 10.379 -0.129 1.00 0.00 C ATOM 0 H LEU A 97 -1.890 8.427 0.548 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.193 7.465 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.609 9.806 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.117 9.681 0.465 1.00 0.00 H new ATOM 0 HG LEU A 97 2.037 8.707 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.354 10.660 -2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.815 9.827 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.827 11.350 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.358 10.615 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.896 11.302 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.545 9.749 0.747 1.00 0.00 H new ATOM 1468 N LEU A 98 1.647 6.242 -0.538 1.00 0.00 N ATOM 1469 CA LEU A 98 2.673 5.387 0.035 1.00 0.00 C ATOM 1470 C LEU A 98 3.998 6.149 0.082 1.00 0.00 C ATOM 1471 O LEU A 98 4.871 5.833 0.889 1.00 0.00 O ATOM 1472 CB LEU A 98 2.752 4.062 -0.728 1.00 0.00 C ATOM 1473 CG LEU A 98 1.436 3.298 -0.884 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.676 1.907 -1.472 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.677 3.236 0.444 1.00 0.00 C ATOM 0 H LEU A 98 1.615 6.246 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 98 2.420 5.123 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.153 4.261 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.467 3.415 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 98 0.807 3.841 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.724 1.385 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.143 2.002 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.332 1.341 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.255 2.688 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.289 2.729 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.455 4.248 0.784 1.00 0.00 H new ATOM 1487 N GLN A 99 4.107 7.138 -0.793 1.00 0.00 N ATOM 1488 CA GLN A 99 5.312 7.948 -0.860 1.00 0.00 C ATOM 1489 C GLN A 99 5.598 8.588 0.500 1.00 0.00 C ATOM 1490 O GLN A 99 4.812 9.399 0.986 1.00 0.00 O ATOM 1491 CB GLN A 99 5.196 9.012 -1.953 1.00 0.00 C ATOM 1492 CG GLN A 99 5.754 8.497 -3.282 1.00 0.00 C ATOM 1493 CD GLN A 99 5.968 9.646 -4.269 1.00 0.00 C ATOM 1494 OE1 GLN A 99 5.341 10.689 -4.193 1.00 0.00 O ATOM 1495 NE2 GLN A 99 6.888 9.397 -5.197 1.00 0.00 N ATOM 0 H GLN A 99 3.381 7.397 -1.461 1.00 0.00 H new ATOM 0 HA GLN A 99 6.149 7.299 -1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.151 9.296 -2.079 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.736 9.909 -1.651 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.698 7.981 -3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.067 7.768 -3.711 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.377 8.502 -5.203 1.00 0.00 H new ATOM 0 HE22 GLN A 99 7.105 10.101 -5.902 1.00 0.00 H new ATOM 1504 N GLY A 100 6.726 8.198 1.075 1.00 0.00 N ATOM 1505 CA GLY A 100 7.127 8.724 2.370 1.00 0.00 C ATOM 1506 C GLY A 100 6.758 7.753 3.493 1.00 0.00 C ATOM 1507 O GLY A 100 7.440 7.692 4.515 1.00 0.00 O ATOM 0 H GLY A 100 7.375 7.524 0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.202 8.902 2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.643 9.685 2.542 1.00 0.00 H new ATOM 1511 N ALA A 101 5.680 7.017 3.266 1.00 0.00 N ATOM 1512 CA ALA A 101 5.213 6.052 4.247 1.00 0.00 C ATOM 1513 C ALA A 101 6.266 4.956 4.419 1.00 0.00 C ATOM 1514 O ALA A 101 6.910 4.551 3.452 1.00 0.00 O ATOM 1515 CB ALA A 101 3.857 5.494 3.808 1.00 0.00 C ATOM 0 H ALA A 101 5.117 7.069 2.417 1.00 0.00 H new ATOM 0 HA ALA A 101 5.072 6.528 5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.506 4.770 4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.137 6.308 3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.961 5.006 2.839 1.00 0.00 H new ATOM 1521 N THR A 102 6.409 4.506 5.657 1.00 0.00 N ATOM 1522 CA THR A 102 7.374 3.465 5.969 1.00 0.00 C ATOM 1523 C THR A 102 6.794 2.087 5.643 1.00 0.00 C ATOM 1524 O THR A 102 5.593 1.953 5.414 1.00 0.00 O ATOM 1525 CB THR A 102 7.781 3.622 7.435 1.00 0.00 C ATOM 1526 OG1 THR A 102 6.749 2.955 8.156 1.00 0.00 O ATOM 1527 CG2 THR A 102 7.694 5.072 7.916 1.00 0.00 C ATOM 0 H THR A 102 5.873 4.843 6.456 1.00 0.00 H new ATOM 0 HA THR A 102 8.271 3.559 5.356 1.00 0.00 H new ATOM 0 HB THR A 102 8.799 3.256 7.569 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.935 3.007 9.117 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.994 5.127 8.963 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.357 5.695 7.316 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.669 5.429 7.813 1.00 0.00 H new ATOM 1535 N PHE A 103 7.676 1.098 5.633 1.00 0.00 N ATOM 1536 CA PHE A 103 7.267 -0.265 5.339 1.00 0.00 C ATOM 1537 C PHE A 103 5.950 -0.606 6.039 1.00 0.00 C ATOM 1538 O PHE A 103 5.013 -1.089 5.406 1.00 0.00 O ATOM 1539 CB PHE A 103 8.366 -1.187 5.871 1.00 0.00 C ATOM 1540 CG PHE A 103 8.071 -2.677 5.691 1.00 0.00 C ATOM 1541 CD1 PHE A 103 7.345 -3.345 6.627 1.00 0.00 C ATOM 1542 CD2 PHE A 103 8.534 -3.334 4.594 1.00 0.00 C ATOM 1543 CE1 PHE A 103 7.071 -4.728 6.459 1.00 0.00 C ATOM 1544 CE2 PHE A 103 8.260 -4.717 4.426 1.00 0.00 C ATOM 1545 CZ PHE A 103 7.535 -5.385 5.362 1.00 0.00 C ATOM 0 H PHE A 103 8.671 1.213 5.824 1.00 0.00 H new ATOM 0 HA PHE A 103 7.119 -0.385 4.266 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.302 -0.949 5.365 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.516 -0.982 6.931 1.00 0.00 H new ATOM 0 HD1 PHE A 103 6.977 -2.824 7.498 1.00 0.00 H new ATOM 0 HD2 PHE A 103 9.110 -2.804 3.850 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.494 -5.258 7.202 1.00 0.00 H new ATOM 0 HE2 PHE A 103 8.628 -5.238 3.555 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.327 -6.437 5.235 1.00 0.00 H new ATOM 1555 N GLU A 104 5.920 -0.340 7.337 1.00 0.00 N ATOM 1556 CA GLU A 104 4.733 -0.612 8.130 1.00 0.00 C ATOM 1557 C GLU A 104 3.549 0.207 7.612 1.00 0.00 C ATOM 1558 O GLU A 104 2.520 -0.352 7.238 1.00 0.00 O ATOM 1559 CB GLU A 104 4.988 -0.330 9.612 1.00 0.00 C ATOM 1560 CG GLU A 104 5.772 -1.473 10.261 1.00 0.00 C ATOM 1561 CD GLU A 104 4.910 -2.220 11.281 1.00 0.00 C ATOM 1562 OE1 GLU A 104 3.951 -2.886 10.835 1.00 0.00 O ATOM 1563 OE2 GLU A 104 5.229 -2.107 12.484 1.00 0.00 O ATOM 0 H GLU A 104 6.699 0.061 7.859 1.00 0.00 H new ATOM 0 HA GLU A 104 4.488 -1.670 8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.543 0.602 9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.038 -0.196 10.129 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.115 -2.166 9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.661 -1.076 10.752 1.00 0.00 H new ATOM 1570 N GLU A 105 3.736 1.519 7.606 1.00 0.00 N ATOM 1571 CA GLU A 105 2.696 2.420 7.140 1.00 0.00 C ATOM 1572 C GLU A 105 2.101 1.910 5.826 1.00 0.00 C ATOM 1573 O GLU A 105 0.882 1.871 5.666 1.00 0.00 O ATOM 1574 CB GLU A 105 3.234 3.843 6.982 1.00 0.00 C ATOM 1575 CG GLU A 105 3.253 4.575 8.325 1.00 0.00 C ATOM 1576 CD GLU A 105 3.163 6.090 8.126 1.00 0.00 C ATOM 1577 OE1 GLU A 105 4.141 6.650 7.585 1.00 0.00 O ATOM 1578 OE2 GLU A 105 2.119 6.653 8.519 1.00 0.00 O ATOM 0 H GLU A 105 4.592 1.979 7.916 1.00 0.00 H new ATOM 0 HA GLU A 105 1.904 2.447 7.888 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.242 3.811 6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.615 4.393 6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.420 4.235 8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.168 4.329 8.864 1.00 0.00 H new ATOM 1585 N VAL A 106 2.989 1.532 4.919 1.00 0.00 N ATOM 1586 CA VAL A 106 2.567 1.026 3.624 1.00 0.00 C ATOM 1587 C VAL A 106 1.701 -0.220 3.825 1.00 0.00 C ATOM 1588 O VAL A 106 0.668 -0.373 3.176 1.00 0.00 O ATOM 1589 CB VAL A 106 3.789 0.767 2.739 1.00 0.00 C ATOM 1590 CG1 VAL A 106 3.426 -0.123 1.549 1.00 0.00 C ATOM 1591 CG2 VAL A 106 4.413 2.083 2.269 1.00 0.00 C ATOM 0 H VAL A 106 3.999 1.566 5.055 1.00 0.00 H new ATOM 0 HA VAL A 106 1.957 1.766 3.106 1.00 0.00 H new ATOM 0 HB VAL A 106 4.531 0.239 3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 106 4.312 -0.291 0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.049 -1.079 1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.658 0.366 0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.279 1.871 1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.679 2.649 1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.726 2.667 3.135 1.00 0.00 H new ATOM 1601 N TYR A 107 2.155 -1.077 4.728 1.00 0.00 N ATOM 1602 CA TYR A 107 1.434 -2.304 5.023 1.00 0.00 C ATOM 1603 C TYR A 107 0.120 -2.007 5.748 1.00 0.00 C ATOM 1604 O TYR A 107 -0.953 -2.375 5.272 1.00 0.00 O ATOM 1605 CB TYR A 107 2.343 -3.114 5.950 1.00 0.00 C ATOM 1606 CG TYR A 107 1.721 -4.421 6.444 1.00 0.00 C ATOM 1607 CD1 TYR A 107 0.725 -4.394 7.399 1.00 0.00 C ATOM 1608 CD2 TYR A 107 2.155 -5.628 5.935 1.00 0.00 C ATOM 1609 CE1 TYR A 107 0.139 -5.624 7.864 1.00 0.00 C ATOM 1610 CE2 TYR A 107 1.570 -6.859 6.400 1.00 0.00 C ATOM 1611 CZ TYR A 107 0.591 -6.796 7.342 1.00 0.00 C ATOM 1612 OH TYR A 107 0.038 -7.958 7.781 1.00 0.00 O ATOM 0 H TYR A 107 3.012 -0.946 5.265 1.00 0.00 H new ATOM 0 HA TYR A 107 1.192 -2.838 4.104 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.271 -3.341 5.425 1.00 0.00 H new ATOM 0 HB3 TYR A 107 2.606 -2.500 6.812 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.385 -3.450 7.798 1.00 0.00 H new ATOM 0 HD2 TYR A 107 2.934 -5.649 5.187 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.642 -5.616 8.610 1.00 0.00 H new ATOM 0 HE2 TYR A 107 1.901 -7.810 6.010 1.00 0.00 H new ATOM 0 HH TYR A 107 0.458 -8.714 7.320 1.00 0.00 H new ATOM 1622 N ASN A 108 0.247 -1.344 6.888 1.00 0.00 N ATOM 1623 CA ASN A 108 -0.917 -0.994 7.684 1.00 0.00 C ATOM 1624 C ASN A 108 -2.043 -0.534 6.757 1.00 0.00 C ATOM 1625 O ASN A 108 -3.218 -0.768 7.037 1.00 0.00 O ATOM 1626 CB ASN A 108 -0.601 0.151 8.648 1.00 0.00 C ATOM 1627 CG ASN A 108 -0.004 -0.380 9.953 1.00 0.00 C ATOM 1628 OD1 ASN A 108 1.325 -0.358 9.988 1.00 0.00 O flip ATOM 1629 ND2 ASN A 108 -0.704 -0.783 10.868 1.00 0.00 N flip ATOM 0 H ASN A 108 1.138 -1.040 7.279 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.213 -1.874 8.255 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.098 0.843 8.179 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.510 0.713 8.862 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -1.720 -0.772 10.776 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -0.273 -1.130 11.725 1.00 0.00 H new ATOM 1636 N ILE A 109 -1.646 0.113 5.671 1.00 0.00 N ATOM 1637 CA ILE A 109 -2.607 0.608 4.700 1.00 0.00 C ATOM 1638 C ILE A 109 -3.328 -0.576 4.053 1.00 0.00 C ATOM 1639 O ILE A 109 -4.543 -0.716 4.187 1.00 0.00 O ATOM 1640 CB ILE A 109 -1.923 1.536 3.694 1.00 0.00 C ATOM 1641 CG1 ILE A 109 -1.529 2.861 4.350 1.00 0.00 C ATOM 1642 CG2 ILE A 109 -2.801 1.747 2.459 1.00 0.00 C ATOM 1643 CD1 ILE A 109 -0.477 3.594 3.516 1.00 0.00 C ATOM 0 H ILE A 109 -0.671 0.306 5.442 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.367 1.214 5.192 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.003 1.057 3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.411 3.491 4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -1.139 2.674 5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.292 2.410 1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.989 0.787 1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.749 2.194 2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -0.215 4.532 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.413 2.971 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.879 3.801 2.524 1.00 0.00 H new ATOM 1655 N ILE A 110 -2.549 -1.398 3.366 1.00 0.00 N ATOM 1656 CA ILE A 110 -3.098 -2.566 2.697 1.00 0.00 C ATOM 1657 C ILE A 110 -3.862 -3.417 3.713 1.00 0.00 C ATOM 1658 O ILE A 110 -4.912 -3.976 3.397 1.00 0.00 O ATOM 1659 CB ILE A 110 -1.996 -3.329 1.960 1.00 0.00 C ATOM 1660 CG1 ILE A 110 -1.456 -2.513 0.784 1.00 0.00 C ATOM 1661 CG2 ILE A 110 -2.485 -4.711 1.523 1.00 0.00 C ATOM 1662 CD1 ILE A 110 0.073 -2.496 0.785 1.00 0.00 C ATOM 0 H ILE A 110 -1.542 -1.279 3.258 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.812 -2.266 1.930 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.167 -3.484 2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.818 -2.936 -0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.835 -1.492 0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -1.683 -5.233 1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.782 -5.286 2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.340 -4.600 0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.431 -1.909 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.431 -2.050 1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.448 -3.516 0.704 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.306 -3.490 4.914 1.00 0.00 N ATOM 1675 CA LEU A 111 -3.922 -4.264 5.978 1.00 0.00 C ATOM 1676 C LEU A 111 -5.202 -3.563 6.438 1.00 0.00 C ATOM 1677 O LEU A 111 -6.181 -4.219 6.789 1.00 0.00 O ATOM 1678 CB LEU A 111 -2.920 -4.515 7.107 1.00 0.00 C ATOM 1679 CG LEU A 111 -3.475 -5.204 8.355 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -4.082 -4.183 9.320 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -4.472 -6.301 7.979 1.00 0.00 C ATOM 0 H LEU A 111 -2.436 -3.026 5.173 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.211 -5.250 5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.104 -5.122 6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.491 -3.558 7.405 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.648 -5.687 8.875 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.469 -4.699 10.199 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.316 -3.471 9.626 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -4.894 -3.651 8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.851 -6.774 8.885 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -5.302 -5.864 7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.975 -7.048 7.360 1.00 0.00 H new ATOM 1693 N GLU A 112 -5.153 -2.239 6.420 1.00 0.00 N ATOM 1694 CA GLU A 112 -6.297 -1.442 6.830 1.00 0.00 C ATOM 1695 C GLU A 112 -7.407 -1.527 5.781 1.00 0.00 C ATOM 1696 O GLU A 112 -8.577 -1.311 6.092 1.00 0.00 O ATOM 1697 CB GLU A 112 -5.890 0.011 7.082 1.00 0.00 C ATOM 1698 CG GLU A 112 -5.405 0.204 8.520 1.00 0.00 C ATOM 1699 CD GLU A 112 -6.362 1.103 9.306 1.00 0.00 C ATOM 1700 OE1 GLU A 112 -6.406 2.309 8.979 1.00 0.00 O ATOM 1701 OE2 GLU A 112 -7.029 0.564 10.215 1.00 0.00 O ATOM 0 H GLU A 112 -4.339 -1.698 6.128 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.679 -1.846 7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.101 0.297 6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -6.738 0.668 6.889 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.323 -0.765 9.013 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.408 0.645 8.515 1.00 0.00 H new ATOM 1708 N SER A 113 -7.000 -1.843 4.560 1.00 0.00 N ATOM 1709 CA SER A 113 -7.946 -1.959 3.463 1.00 0.00 C ATOM 1710 C SER A 113 -8.338 -3.425 3.263 1.00 0.00 C ATOM 1711 O SER A 113 -8.739 -3.820 2.170 1.00 0.00 O ATOM 1712 CB SER A 113 -7.364 -1.384 2.171 1.00 0.00 C ATOM 1713 OG SER A 113 -6.230 -2.121 1.722 1.00 0.00 O ATOM 0 H SER A 113 -6.028 -2.022 4.306 1.00 0.00 H new ATOM 0 HA SER A 113 -8.836 -1.383 3.716 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.130 -1.388 1.395 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.080 -0.344 2.333 1.00 0.00 H new ATOM 0 HG SER A 113 -5.964 -2.765 2.412 1.00 0.00 H new ATOM 1719 N LYS A 114 -8.207 -4.191 4.336 1.00 0.00 N ATOM 1720 CA LYS A 114 -8.542 -5.604 4.292 1.00 0.00 C ATOM 1721 C LYS A 114 -10.050 -5.760 4.087 1.00 0.00 C ATOM 1722 O LYS A 114 -10.487 -6.482 3.192 1.00 0.00 O ATOM 1723 CB LYS A 114 -8.015 -6.319 5.538 1.00 0.00 C ATOM 1724 CG LYS A 114 -6.684 -7.017 5.247 1.00 0.00 C ATOM 1725 CD LYS A 114 -6.751 -8.500 5.617 1.00 0.00 C ATOM 1726 CE LYS A 114 -5.563 -8.900 6.493 1.00 0.00 C ATOM 1727 NZ LYS A 114 -5.391 -10.370 6.494 1.00 0.00 N ATOM 0 H LYS A 114 -7.873 -3.860 5.241 1.00 0.00 H new ATOM 0 HA LYS A 114 -8.052 -6.085 3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.884 -5.600 6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.747 -7.051 5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.438 -6.913 4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.885 -6.534 5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.682 -8.705 6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.759 -9.105 4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.655 -8.422 6.125 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.719 -8.546 7.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.580 -10.624 7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.252 -10.820 6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.220 -10.700 5.523 1.00 0.00 H new ATOM 1741 N PRO A 115 -10.825 -5.052 4.952 1.00 0.00 N ATOM 1742 CA PRO A 115 -12.275 -5.105 4.874 1.00 0.00 C ATOM 1743 C PRO A 115 -12.790 -4.286 3.689 1.00 0.00 C ATOM 1744 O PRO A 115 -13.869 -4.558 3.164 1.00 0.00 O ATOM 1745 CB PRO A 115 -12.761 -4.581 6.216 1.00 0.00 C ATOM 1746 CG PRO A 115 -11.588 -3.822 6.815 1.00 0.00 C ATOM 1747 CD PRO A 115 -10.343 -4.187 6.025 1.00 0.00 C ATOM 0 HA PRO A 115 -12.651 -6.113 4.696 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.626 -3.929 6.091 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -13.070 -5.399 6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.766 -2.748 6.771 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.463 -4.081 7.866 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.852 -3.299 5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.614 -4.701 6.651 1.00 0.00 H new ATOM 1755 N GLU A 116 -11.996 -3.298 3.304 1.00 0.00 N ATOM 1756 CA GLU A 116 -12.358 -2.437 2.191 1.00 0.00 C ATOM 1757 C GLU A 116 -13.021 -3.255 1.081 1.00 0.00 C ATOM 1758 O GLU A 116 -12.594 -4.371 0.788 1.00 0.00 O ATOM 1759 CB GLU A 116 -11.137 -1.682 1.661 1.00 0.00 C ATOM 1760 CG GLU A 116 -11.156 -0.222 2.117 1.00 0.00 C ATOM 1761 CD GLU A 116 -11.785 0.677 1.050 1.00 0.00 C ATOM 1762 OE1 GLU A 116 -11.629 0.337 -0.143 1.00 0.00 O ATOM 1763 OE2 GLU A 116 -12.408 1.683 1.452 1.00 0.00 O ATOM 0 H GLU A 116 -11.103 -3.074 3.743 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.074 -1.697 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.225 -2.165 2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.122 -1.727 0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.717 -0.135 3.048 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.139 0.111 2.325 1.00 0.00 H new ATOM 1770 N PRO A 117 -14.080 -2.653 0.477 1.00 0.00 N ATOM 1771 CA PRO A 117 -14.806 -3.313 -0.595 1.00 0.00 C ATOM 1772 C PRO A 117 -14.003 -3.287 -1.898 1.00 0.00 C ATOM 1773 O PRO A 117 -14.135 -4.183 -2.730 1.00 0.00 O ATOM 1774 CB PRO A 117 -16.125 -2.566 -0.695 1.00 0.00 C ATOM 1775 CG PRO A 117 -15.903 -1.233 0.000 1.00 0.00 C ATOM 1776 CD PRO A 117 -14.612 -1.332 0.797 1.00 0.00 C ATOM 0 HA PRO A 117 -14.977 -4.371 -0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -16.413 -2.420 -1.736 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -16.928 -3.127 -0.217 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -15.839 -0.427 -0.731 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -16.741 -1.001 0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -13.912 -0.545 0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -14.798 -1.228 1.866 1.00 0.00 H new ATOM 1784 N GLN A 118 -13.190 -2.250 -2.034 1.00 0.00 N ATOM 1785 CA GLN A 118 -12.367 -2.095 -3.221 1.00 0.00 C ATOM 1786 C GLN A 118 -10.986 -1.557 -2.843 1.00 0.00 C ATOM 1787 O GLN A 118 -10.725 -1.272 -1.675 1.00 0.00 O ATOM 1788 CB GLN A 118 -13.048 -1.185 -4.246 1.00 0.00 C ATOM 1789 CG GLN A 118 -13.279 0.213 -3.669 1.00 0.00 C ATOM 1790 CD GLN A 118 -14.635 0.770 -4.108 1.00 0.00 C ATOM 1791 OE1 GLN A 118 -15.532 0.989 -3.311 1.00 0.00 O ATOM 1792 NE2 GLN A 118 -14.733 0.986 -5.416 1.00 0.00 N ATOM 0 H GLN A 118 -13.084 -1.509 -1.342 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.240 -3.075 -3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -12.431 -1.115 -5.142 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -14.001 -1.620 -4.548 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -13.233 0.173 -2.581 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.483 0.882 -3.997 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -13.943 0.781 -6.027 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.598 1.357 -5.808 1.00 0.00 H new ATOM 1801 N VAL A 119 -10.136 -1.435 -3.853 1.00 0.00 N ATOM 1802 CA VAL A 119 -8.788 -0.937 -3.640 1.00 0.00 C ATOM 1803 C VAL A 119 -8.306 -0.228 -4.908 1.00 0.00 C ATOM 1804 O VAL A 119 -7.964 -0.879 -5.895 1.00 0.00 O ATOM 1805 CB VAL A 119 -7.869 -2.081 -3.208 1.00 0.00 C ATOM 1806 CG1 VAL A 119 -6.522 -1.547 -2.719 1.00 0.00 C ATOM 1807 CG2 VAL A 119 -8.537 -2.946 -2.138 1.00 0.00 C ATOM 0 H VAL A 119 -10.355 -1.673 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 119 -8.774 -0.205 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 119 -7.684 -2.709 -4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.888 -2.381 -2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.037 -0.994 -3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.680 -0.886 -1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -7.863 -3.752 -1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -8.766 -2.334 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.459 -3.370 -2.536 1.00 0.00 H new ATOM 1817 N GLU A 120 -8.292 1.095 -4.840 1.00 0.00 N ATOM 1818 CA GLU A 120 -7.857 1.898 -5.969 1.00 0.00 C ATOM 1819 C GLU A 120 -6.371 2.237 -5.838 1.00 0.00 C ATOM 1820 O GLU A 120 -5.991 3.070 -5.016 1.00 0.00 O ATOM 1821 CB GLU A 120 -8.701 3.168 -6.096 1.00 0.00 C ATOM 1822 CG GLU A 120 -8.297 3.973 -7.333 1.00 0.00 C ATOM 1823 CD GLU A 120 -8.567 5.465 -7.129 1.00 0.00 C ATOM 1824 OE1 GLU A 120 -9.738 5.796 -6.841 1.00 0.00 O ATOM 1825 OE2 GLU A 120 -7.597 6.241 -7.265 1.00 0.00 O ATOM 0 H GLU A 120 -8.575 1.631 -4.020 1.00 0.00 H new ATOM 0 HA GLU A 120 -7.997 1.316 -6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.756 2.903 -6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.579 3.781 -5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.239 3.817 -7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.851 3.615 -8.201 1.00 0.00 H new ATOM 1832 N LEU A 121 -5.571 1.575 -6.661 1.00 0.00 N ATOM 1833 CA LEU A 121 -4.135 1.796 -6.647 1.00 0.00 C ATOM 1834 C LEU A 121 -3.799 2.991 -7.542 1.00 0.00 C ATOM 1835 O LEU A 121 -4.617 3.409 -8.360 1.00 0.00 O ATOM 1836 CB LEU A 121 -3.392 0.514 -7.028 1.00 0.00 C ATOM 1837 CG LEU A 121 -3.681 -0.712 -6.159 1.00 0.00 C ATOM 1838 CD1 LEU A 121 -2.548 -1.735 -6.261 1.00 0.00 C ATOM 1839 CD2 LEU A 121 -3.958 -0.304 -4.711 1.00 0.00 C ATOM 0 H LEU A 121 -5.890 0.886 -7.342 1.00 0.00 H new ATOM 0 HA LEU A 121 -3.797 2.045 -5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.638 0.269 -8.061 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.321 0.714 -6.994 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.584 -1.193 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.778 -2.596 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.442 -2.058 -7.297 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -1.616 -1.280 -5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.160 -1.194 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.089 0.214 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -4.823 0.359 -4.679 1.00 0.00 H new ATOM 1851 N VAL A 122 -2.592 3.507 -7.357 1.00 0.00 N ATOM 1852 CA VAL A 122 -2.138 4.645 -8.138 1.00 0.00 C ATOM 1853 C VAL A 122 -0.627 4.540 -8.353 1.00 0.00 C ATOM 1854 O VAL A 122 0.155 4.861 -7.459 1.00 0.00 O ATOM 1855 CB VAL A 122 -2.555 5.949 -7.454 1.00 0.00 C ATOM 1856 CG1 VAL A 122 -2.278 7.154 -8.356 1.00 0.00 C ATOM 1857 CG2 VAL A 122 -4.026 5.902 -7.037 1.00 0.00 C ATOM 0 H VAL A 122 -1.915 3.158 -6.678 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.607 4.645 -9.122 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.954 6.062 -6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.583 8.068 -7.846 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.213 7.203 -8.581 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.841 7.051 -9.284 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.297 6.840 -6.553 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.650 5.755 -7.919 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.181 5.077 -6.341 1.00 0.00 H new ATOM 1867 N VAL A 123 -0.260 4.089 -9.543 1.00 0.00 N ATOM 1868 CA VAL A 123 1.144 3.937 -9.887 1.00 0.00 C ATOM 1869 C VAL A 123 1.556 5.063 -10.837 1.00 0.00 C ATOM 1870 O VAL A 123 0.704 5.726 -11.427 1.00 0.00 O ATOM 1871 CB VAL A 123 1.393 2.544 -10.468 1.00 0.00 C ATOM 1872 CG1 VAL A 123 0.280 2.149 -11.441 1.00 0.00 C ATOM 1873 CG2 VAL A 123 2.764 2.468 -11.142 1.00 0.00 C ATOM 0 H VAL A 123 -0.911 3.824 -10.282 1.00 0.00 H new ATOM 0 HA VAL A 123 1.766 4.019 -8.996 1.00 0.00 H new ATOM 0 HB VAL A 123 1.386 1.831 -9.644 1.00 0.00 H new ATOM 0 HG11 VAL A 123 0.481 1.155 -11.840 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -0.676 2.143 -10.917 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.241 2.867 -12.260 1.00 0.00 H new ATOM 0 HG21 VAL A 123 2.916 1.467 -11.546 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.813 3.197 -11.950 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.542 2.685 -10.410 1.00 0.00 H new ATOM 1883 N SER A 124 2.863 5.245 -10.955 1.00 0.00 N ATOM 1884 CA SER A 124 3.399 6.280 -11.823 1.00 0.00 C ATOM 1885 C SER A 124 4.744 5.834 -12.400 1.00 0.00 C ATOM 1886 O SER A 124 5.717 5.673 -11.664 1.00 0.00 O ATOM 1887 CB SER A 124 3.557 7.603 -11.070 1.00 0.00 C ATOM 1888 OG SER A 124 4.418 8.508 -11.756 1.00 0.00 O ATOM 0 H SER A 124 3.567 4.693 -10.464 1.00 0.00 H new ATOM 0 HA SER A 124 2.695 6.440 -12.640 1.00 0.00 H new ATOM 0 HB2 SER A 124 2.578 8.064 -10.937 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.955 7.408 -10.074 1.00 0.00 H new ATOM 0 HG SER A 124 4.492 9.341 -11.244 1.00 0.00 H new ATOM 1894 N ARG A 125 4.756 5.647 -13.711 1.00 0.00 N ATOM 1895 CA ARG A 125 5.965 5.222 -14.396 1.00 0.00 C ATOM 1896 C ARG A 125 6.408 6.288 -15.401 1.00 0.00 C ATOM 1897 O ARG A 125 5.599 7.098 -15.849 1.00 0.00 O ATOM 1898 CB ARG A 125 5.747 3.898 -15.130 1.00 0.00 C ATOM 1899 CG ARG A 125 4.870 4.096 -16.369 1.00 0.00 C ATOM 1900 CD ARG A 125 3.568 3.301 -16.251 1.00 0.00 C ATOM 1901 NE ARG A 125 3.850 1.940 -15.743 1.00 0.00 N ATOM 1902 CZ ARG A 125 4.194 0.904 -16.520 1.00 0.00 C ATOM 1903 NH1 ARG A 125 4.301 1.067 -17.846 1.00 0.00 N ATOM 1904 NH2 ARG A 125 4.431 -0.295 -15.971 1.00 0.00 N ATOM 0 H ARG A 125 3.947 5.782 -14.318 1.00 0.00 H new ATOM 0 HA ARG A 125 6.741 5.082 -13.643 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.709 3.478 -15.424 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.277 3.179 -14.459 1.00 0.00 H new ATOM 0 HG2 ARG A 125 4.644 5.155 -16.494 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.414 3.780 -17.259 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.879 3.813 -15.579 1.00 0.00 H new ATOM 0 HD3 ARG A 125 3.079 3.241 -17.224 1.00 0.00 H new ATOM 0 HE ARG A 125 3.778 1.781 -14.738 1.00 0.00 H new ATOM 0 HH11 ARG A 125 4.121 1.980 -18.264 1.00 0.00 H new ATOM 0 HH12 ARG A 125 4.563 0.278 -18.437 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.350 -0.419 -14.962 1.00 0.00 H new ATOM 0 HH22 ARG A 125 4.693 -1.084 -16.562 1.00 0.00 H new ATOM 1918 N SER A 126 7.692 6.252 -15.725 1.00 0.00 N ATOM 1919 CA SER A 126 8.253 7.204 -16.669 1.00 0.00 C ATOM 1920 C SER A 126 7.984 6.741 -18.102 1.00 0.00 C ATOM 1921 O SER A 126 8.366 5.635 -18.482 1.00 0.00 O ATOM 1922 CB SER A 126 9.755 7.386 -16.442 1.00 0.00 C ATOM 1923 OG SER A 126 10.526 6.475 -17.221 1.00 0.00 O ATOM 0 H SER A 126 8.360 5.578 -15.351 1.00 0.00 H new ATOM 0 HA SER A 126 7.770 8.168 -16.509 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.039 8.408 -16.693 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.982 7.242 -15.386 1.00 0.00 H new ATOM 0 HG SER A 126 9.953 5.743 -17.531 1.00 0.00 H new