USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=21 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 Set 1.1: A 94 ASN : amide:sc= -3.11! C(o=-2.1!,f=-2.4!) USER MOD Set 1.2: A 113 SER OG : rot 71:sc= 0.984 USER MOD Set 2.1: A 66 CYS SG : rot -70:sc= -2.69 USER MOD Set 2.2: A 99 GLN : amide:sc= -0.468 X(o=-3.2,f=-3.3) USER MOD Set 3.1: A 34 ASN : amide:sc= -3.37 K(o=-5,f=-10!) USER MOD Set 3.2: A 118 GLN : amide:sc= -1.62 K(o=-5,f=-9.4!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.22 K(o=-1.2,f=-6.9!) USER MOD Single : A 21 SER OG : rot 160:sc= -0.0524 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 148:sc= -1.82 (180deg=-3.89!) USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0242) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0942 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 153:sc= -1.53 (180deg=-3.05!) USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= -0.583 (180deg=-2.66!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= -0.165 (180deg=-0.165) USER MOD Single : A 60 THR OG1 : rot -95:sc= 1.11 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 140:sc= -0.599 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 24:sc= 0 USER MOD Single : A 80 THR OG1 : rot -53:sc= -1.36! USER MOD Single : A 83 HIS :FLIP no HD1:sc= -0.845 F(o=-2!,f=-0.84) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0.94 K(o=0.94,f=-0.92) USER MOD Single : A 114 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.102) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot -13:sc= 0.863! USER MOD ----------------------------------------------------------------- ATOM 156 N HIS A 14 -14.584 2.248 -16.357 1.00 0.00 N ATOM 157 CA HIS A 14 -13.472 1.336 -16.149 1.00 0.00 C ATOM 158 C HIS A 14 -12.857 1.582 -14.770 1.00 0.00 C ATOM 159 O HIS A 14 -12.741 2.725 -14.333 1.00 0.00 O ATOM 160 CB HIS A 14 -12.452 1.455 -17.283 1.00 0.00 C ATOM 161 CG HIS A 14 -13.070 1.528 -18.659 1.00 0.00 C ATOM 162 ND1 HIS A 14 -13.295 0.408 -19.441 1.00 0.00 N ATOM 163 CD2 HIS A 14 -13.508 2.597 -19.384 1.00 0.00 C ATOM 164 CE1 HIS A 14 -13.843 0.798 -20.582 1.00 0.00 C ATOM 165 NE2 HIS A 14 -13.974 2.155 -20.545 1.00 0.00 N ATOM 0 HA HIS A 14 -13.832 0.307 -16.169 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.845 2.346 -17.120 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -11.778 0.599 -17.243 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.480 3.629 -19.067 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -14.135 0.154 -21.399 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -14.366 2.735 -21.287 1.00 0.00 H new ATOM 173 N PRO A 15 -12.468 0.460 -14.106 1.00 0.00 N ATOM 174 CA PRO A 15 -11.867 0.543 -12.786 1.00 0.00 C ATOM 175 C PRO A 15 -10.421 1.035 -12.871 1.00 0.00 C ATOM 176 O PRO A 15 -9.983 1.831 -12.042 1.00 0.00 O ATOM 177 CB PRO A 15 -11.984 -0.860 -12.212 1.00 0.00 C ATOM 178 CG PRO A 15 -12.221 -1.778 -13.400 1.00 0.00 C ATOM 179 CD PRO A 15 -12.590 -0.911 -14.593 1.00 0.00 C ATOM 0 HA PRO A 15 -12.366 1.266 -12.141 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -11.077 -1.140 -11.677 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.806 -0.923 -11.499 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.326 -2.363 -13.615 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.020 -2.487 -13.181 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.923 -1.093 -15.436 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.603 -1.121 -14.937 1.00 0.00 H new ATOM 187 N VAL A 16 -9.720 0.541 -13.881 1.00 0.00 N ATOM 188 CA VAL A 16 -8.333 0.921 -14.085 1.00 0.00 C ATOM 189 C VAL A 16 -8.255 1.977 -15.189 1.00 0.00 C ATOM 190 O VAL A 16 -9.013 1.927 -16.156 1.00 0.00 O ATOM 191 CB VAL A 16 -7.489 -0.320 -14.386 1.00 0.00 C ATOM 192 CG1 VAL A 16 -7.923 -1.502 -13.515 1.00 0.00 C ATOM 193 CG2 VAL A 16 -7.554 -0.681 -15.871 1.00 0.00 C ATOM 0 H VAL A 16 -10.087 -0.119 -14.567 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.922 1.366 -13.179 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.452 -0.087 -14.143 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.308 -2.371 -13.748 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.801 -1.243 -12.463 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.969 -1.735 -13.712 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.946 -1.566 -16.057 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.587 -0.885 -16.151 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.175 0.151 -16.465 1.00 0.00 H new ATOM 203 N THR A 17 -7.331 2.910 -15.007 1.00 0.00 N ATOM 204 CA THR A 17 -7.145 3.977 -15.975 1.00 0.00 C ATOM 205 C THR A 17 -5.678 4.411 -16.015 1.00 0.00 C ATOM 206 O THR A 17 -5.109 4.782 -14.990 1.00 0.00 O ATOM 207 CB THR A 17 -8.105 5.114 -15.617 1.00 0.00 C ATOM 208 OG1 THR A 17 -8.346 4.938 -14.224 1.00 0.00 O ATOM 209 CG2 THR A 17 -9.483 4.940 -16.259 1.00 0.00 C ATOM 0 H THR A 17 -6.704 2.949 -14.204 1.00 0.00 H new ATOM 0 HA THR A 17 -7.380 3.640 -16.985 1.00 0.00 H new ATOM 0 HB THR A 17 -7.676 6.065 -15.932 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.958 5.635 -13.907 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.125 5.773 -15.973 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.379 4.918 -17.344 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.928 4.005 -15.918 1.00 0.00 H new ATOM 217 N TRP A 18 -5.108 4.349 -17.209 1.00 0.00 N ATOM 218 CA TRP A 18 -3.719 4.730 -17.396 1.00 0.00 C ATOM 219 C TRP A 18 -3.690 6.042 -18.184 1.00 0.00 C ATOM 220 O TRP A 18 -4.004 6.063 -19.373 1.00 0.00 O ATOM 221 CB TRP A 18 -2.929 3.609 -18.074 1.00 0.00 C ATOM 222 CG TRP A 18 -2.696 2.386 -17.184 1.00 0.00 C ATOM 223 CD1 TRP A 18 -3.501 1.329 -17.008 1.00 0.00 C ATOM 224 CD2 TRP A 18 -1.544 2.135 -16.352 1.00 0.00 C ATOM 225 NE1 TRP A 18 -2.954 0.419 -16.126 1.00 0.00 N ATOM 226 CE2 TRP A 18 -1.727 0.925 -15.715 1.00 0.00 C ATOM 227 CE3 TRP A 18 -0.386 2.905 -16.145 1.00 0.00 C ATOM 228 CZ2 TRP A 18 -0.792 0.377 -14.828 1.00 0.00 C ATOM 229 CZ3 TRP A 18 0.538 2.344 -15.255 1.00 0.00 C ATOM 230 CH2 TRP A 18 0.369 1.127 -14.606 1.00 0.00 C ATOM 0 H TRP A 18 -5.583 4.040 -18.057 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.231 4.890 -16.435 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.461 3.296 -18.973 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.964 4.001 -18.395 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.457 1.205 -17.495 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.373 -0.463 -15.830 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.222 3.854 -16.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.958 -0.573 -14.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.446 2.896 -15.059 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.130 0.761 -13.933 1.00 0.00 H new ATOM 241 N GLN A 19 -3.312 7.104 -17.489 1.00 0.00 N ATOM 242 CA GLN A 19 -3.238 8.416 -18.108 1.00 0.00 C ATOM 243 C GLN A 19 -1.924 9.106 -17.737 1.00 0.00 C ATOM 244 O GLN A 19 -1.373 8.864 -16.664 1.00 0.00 O ATOM 245 CB GLN A 19 -4.439 9.277 -17.713 1.00 0.00 C ATOM 246 CG GLN A 19 -5.684 8.415 -17.493 1.00 0.00 C ATOM 247 CD GLN A 19 -5.849 8.057 -16.015 1.00 0.00 C ATOM 248 OE1 GLN A 19 -5.011 7.409 -15.409 1.00 0.00 O ATOM 249 NE2 GLN A 19 -6.973 8.513 -15.470 1.00 0.00 N ATOM 0 H GLN A 19 -3.054 7.083 -16.503 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.265 8.287 -19.190 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.210 9.831 -16.802 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.635 10.013 -18.493 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.567 8.950 -17.842 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.609 7.503 -18.085 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.632 9.049 -16.034 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.176 8.326 -14.488 1.00 0.00 H new ATOM 258 N PRO A 20 -1.446 9.973 -18.670 1.00 0.00 N ATOM 259 CA PRO A 20 -0.207 10.699 -18.451 1.00 0.00 C ATOM 260 C PRO A 20 -0.406 11.835 -17.447 1.00 0.00 C ATOM 261 O PRO A 20 -1.531 12.282 -17.225 1.00 0.00 O ATOM 262 CB PRO A 20 0.210 11.190 -19.828 1.00 0.00 C ATOM 263 CG PRO A 20 -1.041 11.122 -20.690 1.00 0.00 C ATOM 264 CD PRO A 20 -2.071 10.284 -19.952 1.00 0.00 C ATOM 0 HA PRO A 20 0.572 10.077 -18.011 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.596 12.208 -19.779 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.004 10.567 -20.241 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.429 12.123 -20.880 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.813 10.679 -21.660 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.003 10.832 -19.815 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.313 9.376 -20.505 1.00 0.00 H new ATOM 272 N SER A 21 0.702 12.270 -16.865 1.00 0.00 N ATOM 273 CA SER A 21 0.663 13.346 -15.889 1.00 0.00 C ATOM 274 C SER A 21 0.486 14.690 -16.599 1.00 0.00 C ATOM 275 O SER A 21 0.535 14.759 -17.826 1.00 0.00 O ATOM 276 CB SER A 21 1.931 13.359 -15.034 1.00 0.00 C ATOM 277 OG SER A 21 3.072 13.780 -15.777 1.00 0.00 O ATOM 0 H SER A 21 1.633 11.897 -17.051 1.00 0.00 H new ATOM 0 HA SER A 21 -0.187 13.178 -15.227 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.787 14.024 -14.183 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.108 12.361 -14.633 1.00 0.00 H new ATOM 0 HG SER A 21 3.771 14.082 -15.160 1.00 0.00 H new ATOM 283 N LYS A 22 0.286 15.724 -15.796 1.00 0.00 N ATOM 284 CA LYS A 22 0.102 17.062 -16.331 1.00 0.00 C ATOM 285 C LYS A 22 1.080 17.283 -17.487 1.00 0.00 C ATOM 286 O LYS A 22 0.679 17.702 -18.572 1.00 0.00 O ATOM 287 CB LYS A 22 0.220 18.106 -15.219 1.00 0.00 C ATOM 288 CG LYS A 22 -0.898 19.146 -15.322 1.00 0.00 C ATOM 289 CD LYS A 22 -1.435 19.513 -13.937 1.00 0.00 C ATOM 290 CE LYS A 22 -2.954 19.341 -13.875 1.00 0.00 C ATOM 291 NZ LYS A 22 -3.348 18.667 -12.617 1.00 0.00 N ATOM 0 H LYS A 22 0.247 15.662 -14.779 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.904 17.174 -16.736 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.176 17.614 -14.247 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.189 18.601 -15.282 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.523 20.040 -15.819 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.708 18.755 -15.938 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.963 18.885 -13.182 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.172 20.545 -13.703 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.439 20.315 -13.940 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.295 18.757 -14.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.382 18.558 -12.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.900 17.730 -12.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.039 19.239 -11.805 1.00 0.00 H new ATOM 305 N ASP A 23 2.343 16.992 -17.215 1.00 0.00 N ATOM 306 CA ASP A 23 3.381 17.154 -18.219 1.00 0.00 C ATOM 307 C ASP A 23 3.207 16.088 -19.303 1.00 0.00 C ATOM 308 O ASP A 23 2.923 16.410 -20.455 1.00 0.00 O ATOM 309 CB ASP A 23 4.772 16.981 -17.606 1.00 0.00 C ATOM 310 CG ASP A 23 5.800 18.033 -18.027 1.00 0.00 C ATOM 311 OD1 ASP A 23 5.411 19.220 -18.073 1.00 0.00 O ATOM 312 OD2 ASP A 23 6.952 17.627 -18.294 1.00 0.00 O ATOM 0 H ASP A 23 2.672 16.645 -16.314 1.00 0.00 H new ATOM 0 HA ASP A 23 3.293 18.157 -18.636 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.679 17.000 -16.520 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.152 15.996 -17.876 1.00 0.00 H new ATOM 317 N GLY A 24 3.384 14.840 -18.894 1.00 0.00 N ATOM 318 CA GLY A 24 3.250 13.725 -19.816 1.00 0.00 C ATOM 319 C GLY A 24 4.449 12.780 -19.712 1.00 0.00 C ATOM 320 O GLY A 24 4.318 11.578 -19.938 1.00 0.00 O ATOM 0 H GLY A 24 3.619 14.577 -17.937 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.332 13.178 -19.600 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.165 14.100 -20.836 1.00 0.00 H new ATOM 324 N ASP A 25 5.590 13.359 -19.369 1.00 0.00 N ATOM 325 CA ASP A 25 6.811 12.584 -19.232 1.00 0.00 C ATOM 326 C ASP A 25 6.551 11.389 -18.312 1.00 0.00 C ATOM 327 O ASP A 25 7.247 10.378 -18.390 1.00 0.00 O ATOM 328 CB ASP A 25 7.930 13.423 -18.612 1.00 0.00 C ATOM 329 CG ASP A 25 8.872 14.089 -19.618 1.00 0.00 C ATOM 330 OD1 ASP A 25 8.586 13.968 -20.829 1.00 0.00 O ATOM 331 OD2 ASP A 25 9.855 14.704 -19.153 1.00 0.00 O ATOM 0 H ASP A 25 5.695 14.356 -19.182 1.00 0.00 H new ATOM 0 HA ASP A 25 7.115 12.256 -20.226 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.481 14.197 -17.990 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.519 12.786 -17.952 1.00 0.00 H new ATOM 336 N ARG A 26 5.548 11.546 -17.461 1.00 0.00 N ATOM 337 CA ARG A 26 5.187 10.493 -16.527 1.00 0.00 C ATOM 338 C ARG A 26 3.820 9.909 -16.888 1.00 0.00 C ATOM 339 O ARG A 26 3.002 10.577 -17.517 1.00 0.00 O ATOM 340 CB ARG A 26 5.146 11.020 -15.091 1.00 0.00 C ATOM 341 CG ARG A 26 6.557 11.134 -14.509 1.00 0.00 C ATOM 342 CD ARG A 26 6.988 9.819 -13.856 1.00 0.00 C ATOM 343 NE ARG A 26 8.428 9.581 -14.100 1.00 0.00 N ATOM 344 CZ ARG A 26 9.165 8.684 -13.431 1.00 0.00 C ATOM 345 NH1 ARG A 26 8.602 7.934 -12.474 1.00 0.00 N ATOM 346 NH2 ARG A 26 10.465 8.536 -13.720 1.00 0.00 N ATOM 0 H ARG A 26 4.974 12.387 -17.399 1.00 0.00 H new ATOM 0 HA ARG A 26 5.948 9.715 -16.595 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.661 11.996 -15.071 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.546 10.353 -14.472 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.260 11.400 -15.299 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.587 11.937 -13.772 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.793 9.855 -12.784 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.401 8.994 -14.259 1.00 0.00 H new ATOM 0 HE ARG A 26 8.888 10.134 -14.823 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.612 8.046 -12.255 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.163 7.251 -11.965 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.893 9.106 -14.449 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.026 7.853 -13.211 1.00 0.00 H new ATOM 360 N LEU A 27 3.614 8.667 -16.473 1.00 0.00 N ATOM 361 CA LEU A 27 2.360 7.986 -16.744 1.00 0.00 C ATOM 362 C LEU A 27 1.707 7.582 -15.420 1.00 0.00 C ATOM 363 O LEU A 27 2.282 6.814 -14.650 1.00 0.00 O ATOM 364 CB LEU A 27 2.584 6.814 -17.702 1.00 0.00 C ATOM 365 CG LEU A 27 1.594 6.699 -18.864 1.00 0.00 C ATOM 366 CD1 LEU A 27 0.230 7.276 -18.481 1.00 0.00 C ATOM 367 CD2 LEU A 27 2.157 7.349 -20.129 1.00 0.00 C ATOM 0 H LEU A 27 4.295 8.115 -15.951 1.00 0.00 H new ATOM 0 HA LEU A 27 1.665 8.655 -17.251 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.590 6.895 -18.114 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.548 5.889 -17.127 1.00 0.00 H new ATOM 0 HG LEU A 27 1.446 5.642 -19.084 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.455 7.182 -19.324 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.169 6.730 -17.627 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.341 8.328 -18.219 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.434 7.254 -20.940 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.353 8.404 -19.940 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.086 6.853 -20.411 1.00 0.00 H new ATOM 379 N ILE A 28 0.516 8.117 -15.197 1.00 0.00 N ATOM 380 CA ILE A 28 -0.221 7.822 -13.980 1.00 0.00 C ATOM 381 C ILE A 28 -1.188 6.666 -14.242 1.00 0.00 C ATOM 382 O ILE A 28 -2.166 6.823 -14.971 1.00 0.00 O ATOM 383 CB ILE A 28 -0.902 9.085 -13.447 1.00 0.00 C ATOM 384 CG1 ILE A 28 0.051 10.281 -13.487 1.00 0.00 C ATOM 385 CG2 ILE A 28 -1.470 8.851 -12.046 1.00 0.00 C ATOM 386 CD1 ILE A 28 1.358 9.965 -12.757 1.00 0.00 C ATOM 0 H ILE A 28 0.043 8.753 -15.839 1.00 0.00 H new ATOM 0 HA ILE A 28 0.459 7.497 -13.192 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.742 9.322 -14.100 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.264 10.547 -14.523 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.426 11.146 -13.027 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.948 9.764 -11.690 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.204 8.046 -12.081 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.663 8.576 -11.367 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.018 10.832 -12.800 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.144 9.723 -11.716 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.845 9.114 -13.234 1.00 0.00 H new ATOM 398 N GLY A 29 -0.880 5.530 -13.634 1.00 0.00 N ATOM 399 CA GLY A 29 -1.709 4.347 -13.792 1.00 0.00 C ATOM 400 C GLY A 29 -2.578 4.117 -12.554 1.00 0.00 C ATOM 401 O GLY A 29 -2.098 4.224 -11.426 1.00 0.00 O ATOM 0 H GLY A 29 -0.067 5.404 -13.031 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.344 4.458 -14.671 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.077 3.476 -13.964 1.00 0.00 H new ATOM 405 N ARG A 30 -3.840 3.805 -12.806 1.00 0.00 N ATOM 406 CA ARG A 30 -4.780 3.559 -11.725 1.00 0.00 C ATOM 407 C ARG A 30 -5.323 2.131 -11.809 1.00 0.00 C ATOM 408 O ARG A 30 -5.680 1.661 -12.888 1.00 0.00 O ATOM 409 CB ARG A 30 -5.949 4.545 -11.777 1.00 0.00 C ATOM 410 CG ARG A 30 -6.028 5.370 -10.490 1.00 0.00 C ATOM 411 CD ARG A 30 -7.237 6.307 -10.512 1.00 0.00 C ATOM 412 NE ARG A 30 -6.839 7.658 -10.057 1.00 0.00 N ATOM 413 CZ ARG A 30 -6.115 8.514 -10.790 1.00 0.00 C ATOM 414 NH1 ARG A 30 -5.705 8.165 -12.017 1.00 0.00 N ATOM 415 NH2 ARG A 30 -5.801 9.719 -10.296 1.00 0.00 N ATOM 0 H ARG A 30 -4.234 3.717 -13.743 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.246 3.694 -10.784 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.831 5.210 -12.633 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.882 4.001 -11.922 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.096 4.703 -9.630 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.114 5.952 -10.371 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.648 6.360 -11.520 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.024 5.914 -9.868 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.134 7.956 -9.127 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.944 7.247 -12.393 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.154 8.817 -12.575 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.113 9.984 -9.362 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.250 10.371 -10.854 1.00 0.00 H new ATOM 429 N ILE A 31 -5.367 1.480 -10.656 1.00 0.00 N ATOM 430 CA ILE A 31 -5.860 0.115 -10.585 1.00 0.00 C ATOM 431 C ILE A 31 -6.875 0.002 -9.445 1.00 0.00 C ATOM 432 O ILE A 31 -6.512 0.104 -8.274 1.00 0.00 O ATOM 433 CB ILE A 31 -4.695 -0.870 -10.471 1.00 0.00 C ATOM 434 CG1 ILE A 31 -3.894 -0.924 -11.773 1.00 0.00 C ATOM 435 CG2 ILE A 31 -5.187 -2.254 -10.043 1.00 0.00 C ATOM 436 CD1 ILE A 31 -2.813 0.158 -11.797 1.00 0.00 C ATOM 0 H ILE A 31 -5.069 1.873 -9.763 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.382 -0.150 -11.504 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.021 -0.513 -9.692 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.433 -1.906 -11.880 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.564 -0.792 -12.622 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.339 -2.935 -9.970 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.679 -2.181 -9.073 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.894 -2.633 -10.781 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.258 0.097 -12.733 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.279 1.140 -11.714 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.130 0.009 -10.961 1.00 0.00 H new ATOM 448 N LEU A 32 -8.126 -0.206 -9.828 1.00 0.00 N ATOM 449 CA LEU A 32 -9.195 -0.334 -8.853 1.00 0.00 C ATOM 450 C LEU A 32 -9.666 -1.789 -8.806 1.00 0.00 C ATOM 451 O LEU A 32 -10.183 -2.310 -9.794 1.00 0.00 O ATOM 452 CB LEU A 32 -10.315 0.665 -9.151 1.00 0.00 C ATOM 453 CG LEU A 32 -11.624 0.453 -8.388 1.00 0.00 C ATOM 454 CD1 LEU A 32 -11.599 1.183 -7.043 1.00 0.00 C ATOM 455 CD2 LEU A 32 -12.827 0.862 -9.240 1.00 0.00 C ATOM 0 H LEU A 32 -8.423 -0.289 -10.800 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.832 -0.083 -7.856 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.948 1.668 -8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.531 0.631 -10.219 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.727 -0.611 -8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.541 1.016 -6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.776 0.802 -6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.462 2.251 -7.211 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.745 0.701 -8.674 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.744 1.916 -9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.851 0.260 -10.149 1.00 0.00 H new ATOM 467 N LEU A 33 -9.471 -2.404 -7.649 1.00 0.00 N ATOM 468 CA LEU A 33 -9.869 -3.789 -7.462 1.00 0.00 C ATOM 469 C LEU A 33 -11.157 -3.837 -6.637 1.00 0.00 C ATOM 470 O LEU A 33 -11.362 -3.011 -5.750 1.00 0.00 O ATOM 471 CB LEU A 33 -8.721 -4.599 -6.857 1.00 0.00 C ATOM 472 CG LEU A 33 -7.544 -4.894 -7.789 1.00 0.00 C ATOM 473 CD1 LEU A 33 -8.007 -4.988 -9.244 1.00 0.00 C ATOM 474 CD2 LEU A 33 -6.430 -3.861 -7.607 1.00 0.00 C ATOM 0 H LEU A 33 -9.043 -1.969 -6.832 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.087 -4.256 -8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.344 -4.063 -5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.121 -5.547 -6.498 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.130 -5.866 -7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.151 -5.198 -9.885 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.739 -5.789 -9.342 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.461 -4.043 -9.543 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.605 -4.093 -8.281 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.815 -2.867 -7.834 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.075 -3.886 -6.577 1.00 0.00 H new ATOM 486 N ASN A 34 -11.992 -4.814 -6.960 1.00 0.00 N ATOM 487 CA ASN A 34 -13.255 -4.981 -6.260 1.00 0.00 C ATOM 488 C ASN A 34 -13.475 -6.465 -5.961 1.00 0.00 C ATOM 489 O ASN A 34 -13.469 -7.293 -6.872 1.00 0.00 O ATOM 490 CB ASN A 34 -14.426 -4.492 -7.114 1.00 0.00 C ATOM 491 CG ASN A 34 -15.763 -4.794 -6.434 1.00 0.00 C ATOM 492 OD1 ASN A 34 -16.119 -5.934 -6.184 1.00 0.00 O ATOM 493 ND2 ASN A 34 -16.482 -3.711 -6.150 1.00 0.00 N ATOM 0 H ASN A 34 -11.819 -5.498 -7.697 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.211 -4.398 -5.340 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.334 -3.419 -7.284 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.394 -4.973 -8.092 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -17.390 -3.807 -5.696 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -16.125 -2.785 -6.387 1.00 0.00 H new ATOM 500 N LYS A 35 -13.664 -6.757 -4.683 1.00 0.00 N ATOM 501 CA LYS A 35 -13.885 -8.127 -4.253 1.00 0.00 C ATOM 502 C LYS A 35 -15.389 -8.383 -4.134 1.00 0.00 C ATOM 503 O LYS A 35 -15.846 -9.512 -4.304 1.00 0.00 O ATOM 504 CB LYS A 35 -13.109 -8.417 -2.967 1.00 0.00 C ATOM 505 CG LYS A 35 -11.627 -8.071 -3.131 1.00 0.00 C ATOM 506 CD LYS A 35 -11.232 -6.908 -2.219 1.00 0.00 C ATOM 507 CE LYS A 35 -9.755 -6.995 -1.830 1.00 0.00 C ATOM 508 NZ LYS A 35 -8.981 -5.919 -2.489 1.00 0.00 N ATOM 0 H LYS A 35 -13.669 -6.068 -3.931 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.499 -8.826 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.532 -7.840 -2.145 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.213 -9.470 -2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.018 -8.944 -2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.424 -7.809 -4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.423 -5.962 -2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.850 -6.919 -1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.653 -6.914 -0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.354 -7.967 -2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.194 -5.631 -1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.604 -6.267 -3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.601 -5.102 -2.663 1.00 0.00 H new ATOM 522 N ARG A 36 -16.117 -7.315 -3.842 1.00 0.00 N ATOM 523 CA ARG A 36 -17.560 -7.410 -3.699 1.00 0.00 C ATOM 524 C ARG A 36 -18.137 -8.363 -4.748 1.00 0.00 C ATOM 525 O ARG A 36 -18.211 -8.021 -5.928 1.00 0.00 O ATOM 526 CB ARG A 36 -18.220 -6.037 -3.849 1.00 0.00 C ATOM 527 CG ARG A 36 -18.276 -5.306 -2.506 1.00 0.00 C ATOM 528 CD ARG A 36 -18.810 -3.883 -2.678 1.00 0.00 C ATOM 529 NE ARG A 36 -19.095 -3.286 -1.355 1.00 0.00 N ATOM 530 CZ ARG A 36 -19.672 -2.089 -1.179 1.00 0.00 C ATOM 531 NH1 ARG A 36 -20.029 -1.355 -2.242 1.00 0.00 N ATOM 532 NH2 ARG A 36 -19.893 -1.627 0.059 1.00 0.00 N ATOM 0 H ARG A 36 -15.735 -6.380 -3.701 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.769 -7.794 -2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -17.663 -5.439 -4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.229 -6.156 -4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -18.914 -5.857 -1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -17.280 -5.274 -2.064 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -18.080 -3.274 -3.211 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -19.717 -3.897 -3.283 1.00 0.00 H new ATOM 0 HE ARG A 36 -18.836 -3.819 -0.524 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.862 -1.707 -3.184 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -20.468 -0.444 -2.109 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -19.622 -2.186 0.868 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -20.332 -0.716 0.193 1.00 0.00 H new ATOM 546 N LEU A 37 -18.530 -9.538 -4.281 1.00 0.00 N ATOM 547 CA LEU A 37 -19.098 -10.542 -5.164 1.00 0.00 C ATOM 548 C LEU A 37 -20.223 -9.913 -5.988 1.00 0.00 C ATOM 549 O LEU A 37 -20.537 -8.736 -5.820 1.00 0.00 O ATOM 550 CB LEU A 37 -19.534 -11.773 -4.366 1.00 0.00 C ATOM 551 CG LEU A 37 -18.445 -12.452 -3.533 1.00 0.00 C ATOM 552 CD1 LEU A 37 -19.006 -12.949 -2.199 1.00 0.00 C ATOM 553 CD2 LEU A 37 -17.769 -13.574 -4.323 1.00 0.00 C ATOM 0 H LEU A 37 -18.466 -9.818 -3.302 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.347 -10.898 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.345 -11.481 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.942 -12.506 -5.061 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.678 -11.712 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.212 -13.428 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.403 -12.105 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.803 -13.669 -2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.999 -14.040 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.512 -14.321 -4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.313 -13.162 -5.223 1.00 0.00 H new ATOM 565 N LYS A 38 -20.800 -10.726 -6.861 1.00 0.00 N ATOM 566 CA LYS A 38 -21.883 -10.264 -7.712 1.00 0.00 C ATOM 567 C LYS A 38 -22.943 -9.575 -6.850 1.00 0.00 C ATOM 568 O LYS A 38 -23.370 -8.462 -7.156 1.00 0.00 O ATOM 569 CB LYS A 38 -22.431 -11.417 -8.556 1.00 0.00 C ATOM 570 CG LYS A 38 -22.570 -11.005 -10.022 1.00 0.00 C ATOM 571 CD LYS A 38 -23.892 -10.271 -10.263 1.00 0.00 C ATOM 572 CE LYS A 38 -24.970 -11.235 -10.762 1.00 0.00 C ATOM 573 NZ LYS A 38 -25.895 -11.592 -9.662 1.00 0.00 N ATOM 0 H LYS A 38 -20.538 -11.702 -6.997 1.00 0.00 H new ATOM 0 HA LYS A 38 -21.519 -9.524 -8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -21.767 -12.277 -8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -23.401 -11.727 -8.168 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -21.736 -10.362 -10.303 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -22.519 -11.889 -10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -24.223 -9.797 -9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -23.743 -9.476 -10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -25.527 -10.776 -11.579 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -24.504 -12.136 -11.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -26.678 -12.164 -10.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -25.382 -12.138 -8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -26.276 -10.724 -9.233 1.00 0.00 H new ATOM 587 N ASP A 39 -23.338 -10.264 -5.790 1.00 0.00 N ATOM 588 CA ASP A 39 -24.340 -9.732 -4.882 1.00 0.00 C ATOM 589 C ASP A 39 -23.925 -8.328 -4.438 1.00 0.00 C ATOM 590 O ASP A 39 -24.770 -7.447 -4.283 1.00 0.00 O ATOM 591 CB ASP A 39 -24.470 -10.605 -3.632 1.00 0.00 C ATOM 592 CG ASP A 39 -25.478 -11.750 -3.745 1.00 0.00 C ATOM 593 OD1 ASP A 39 -26.478 -11.557 -4.470 1.00 0.00 O ATOM 594 OD2 ASP A 39 -25.226 -12.793 -3.104 1.00 0.00 O ATOM 0 H ASP A 39 -22.982 -11.186 -5.539 1.00 0.00 H new ATOM 0 HA ASP A 39 -25.295 -9.711 -5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.492 -11.024 -3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -24.756 -9.971 -2.793 1.00 0.00 H new ATOM 599 N GLY A 40 -22.625 -8.163 -4.245 1.00 0.00 N ATOM 600 CA GLY A 40 -22.088 -6.882 -3.821 1.00 0.00 C ATOM 601 C GLY A 40 -21.609 -6.941 -2.369 1.00 0.00 C ATOM 602 O GLY A 40 -21.940 -6.069 -1.567 1.00 0.00 O ATOM 0 H GLY A 40 -21.928 -8.896 -4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -21.259 -6.599 -4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -22.852 -6.111 -3.925 1.00 0.00 H new ATOM 606 N SER A 41 -20.838 -7.977 -2.076 1.00 0.00 N ATOM 607 CA SER A 41 -20.311 -8.161 -0.734 1.00 0.00 C ATOM 608 C SER A 41 -19.031 -8.998 -0.786 1.00 0.00 C ATOM 609 O SER A 41 -18.970 -10.003 -1.492 1.00 0.00 O ATOM 610 CB SER A 41 -21.344 -8.827 0.177 1.00 0.00 C ATOM 611 OG SER A 41 -22.555 -8.078 0.247 1.00 0.00 O ATOM 0 H SER A 41 -20.565 -8.698 -2.744 1.00 0.00 H new ATOM 0 HA SER A 41 -20.080 -7.180 -0.319 1.00 0.00 H new ATOM 0 HB2 SER A 41 -21.559 -9.830 -0.191 1.00 0.00 H new ATOM 0 HB3 SER A 41 -20.927 -8.937 1.178 1.00 0.00 H new ATOM 0 HG SER A 41 -23.190 -8.536 0.837 1.00 0.00 H new ATOM 617 N VAL A 42 -18.040 -8.553 -0.028 1.00 0.00 N ATOM 618 CA VAL A 42 -16.765 -9.248 0.022 1.00 0.00 C ATOM 619 C VAL A 42 -16.910 -10.509 0.876 1.00 0.00 C ATOM 620 O VAL A 42 -17.515 -10.472 1.947 1.00 0.00 O ATOM 621 CB VAL A 42 -15.673 -8.304 0.530 1.00 0.00 C ATOM 622 CG1 VAL A 42 -14.341 -9.040 0.687 1.00 0.00 C ATOM 623 CG2 VAL A 42 -15.525 -7.091 -0.391 1.00 0.00 C ATOM 0 H VAL A 42 -18.094 -7.719 0.557 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.463 -9.564 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.973 -7.943 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.582 -8.346 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.458 -9.855 1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.033 -9.444 -0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.743 -6.436 -0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.259 -7.426 -1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.468 -6.546 -0.429 1.00 0.00 H new ATOM 633 N PRO A 43 -16.330 -11.624 0.358 1.00 0.00 N ATOM 634 CA PRO A 43 -16.388 -12.894 1.061 1.00 0.00 C ATOM 635 C PRO A 43 -15.428 -12.906 2.252 1.00 0.00 C ATOM 636 O PRO A 43 -14.770 -11.906 2.534 1.00 0.00 O ATOM 637 CB PRO A 43 -16.047 -13.941 0.013 1.00 0.00 C ATOM 638 CG PRO A 43 -15.359 -13.191 -1.116 1.00 0.00 C ATOM 639 CD PRO A 43 -15.605 -11.706 -0.907 1.00 0.00 C ATOM 0 HA PRO A 43 -17.369 -13.089 1.495 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.394 -14.709 0.427 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -16.946 -14.444 -0.343 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.290 -13.404 -1.120 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.751 -13.511 -2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -14.667 -11.152 -0.863 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -16.187 -11.282 -1.725 1.00 0.00 H new ATOM 647 N ARG A 44 -15.377 -14.050 2.919 1.00 0.00 N ATOM 648 CA ARG A 44 -14.508 -14.206 4.073 1.00 0.00 C ATOM 649 C ARG A 44 -13.170 -13.505 3.828 1.00 0.00 C ATOM 650 O ARG A 44 -12.567 -12.969 4.757 1.00 0.00 O ATOM 651 CB ARG A 44 -14.254 -15.684 4.376 1.00 0.00 C ATOM 652 CG ARG A 44 -15.360 -16.261 5.261 1.00 0.00 C ATOM 653 CD ARG A 44 -15.000 -16.132 6.742 1.00 0.00 C ATOM 654 NE ARG A 44 -14.626 -17.456 7.289 1.00 0.00 N ATOM 655 CZ ARG A 44 -15.509 -18.397 7.648 1.00 0.00 C ATOM 656 NH1 ARG A 44 -16.823 -18.167 7.520 1.00 0.00 N ATOM 657 NH2 ARG A 44 -15.078 -19.569 8.134 1.00 0.00 N ATOM 0 H ARG A 44 -15.924 -14.878 2.682 1.00 0.00 H new ATOM 0 HA ARG A 44 -15.008 -13.753 4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.200 -16.246 3.443 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.290 -15.797 4.873 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -16.297 -15.740 5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.520 -17.310 5.012 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.173 -15.432 6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.846 -15.726 7.296 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.634 -17.665 7.399 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.151 -17.275 7.149 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.495 -18.884 7.793 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -14.078 -19.744 8.230 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -15.750 -20.286 8.408 1.00 0.00 H new ATOM 671 N ASP A 45 -12.745 -13.531 2.574 1.00 0.00 N ATOM 672 CA ASP A 45 -11.490 -12.905 2.195 1.00 0.00 C ATOM 673 C ASP A 45 -11.124 -13.326 0.771 1.00 0.00 C ATOM 674 O ASP A 45 -10.281 -14.201 0.576 1.00 0.00 O ATOM 675 CB ASP A 45 -10.355 -13.341 3.124 1.00 0.00 C ATOM 676 CG ASP A 45 -10.357 -14.825 3.495 1.00 0.00 C ATOM 677 OD1 ASP A 45 -11.055 -15.163 4.475 1.00 0.00 O ATOM 678 OD2 ASP A 45 -9.661 -15.587 2.791 1.00 0.00 O ATOM 0 H ASP A 45 -13.248 -13.976 1.806 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.618 -11.825 2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.404 -13.102 2.648 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.409 -12.753 4.040 1.00 0.00 H new ATOM 683 N SER A 46 -11.775 -12.684 -0.188 1.00 0.00 N ATOM 684 CA SER A 46 -11.528 -12.982 -1.589 1.00 0.00 C ATOM 685 C SER A 46 -10.031 -12.884 -1.889 1.00 0.00 C ATOM 686 O SER A 46 -9.429 -13.838 -2.379 1.00 0.00 O ATOM 687 CB SER A 46 -12.315 -12.037 -2.499 1.00 0.00 C ATOM 688 OG SER A 46 -12.393 -12.525 -3.836 1.00 0.00 O ATOM 0 H SER A 46 -12.473 -11.959 -0.023 1.00 0.00 H new ATOM 0 HA SER A 46 -11.865 -13.999 -1.787 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.321 -11.906 -2.102 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.842 -11.055 -2.498 1.00 0.00 H new ATOM 0 HG SER A 46 -12.904 -11.895 -4.385 1.00 0.00 H new ATOM 694 N GLY A 47 -9.474 -11.721 -1.582 1.00 0.00 N ATOM 695 CA GLY A 47 -8.059 -11.486 -1.813 1.00 0.00 C ATOM 696 C GLY A 47 -7.667 -10.063 -1.413 1.00 0.00 C ATOM 697 O GLY A 47 -7.375 -9.231 -2.271 1.00 0.00 O ATOM 0 H GLY A 47 -9.977 -10.932 -1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.470 -12.203 -1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.827 -11.649 -2.865 1.00 0.00 H new ATOM 701 N ALA A 48 -7.673 -9.826 -0.109 1.00 0.00 N ATOM 702 CA ALA A 48 -7.322 -8.517 0.415 1.00 0.00 C ATOM 703 C ALA A 48 -6.009 -8.054 -0.219 1.00 0.00 C ATOM 704 O ALA A 48 -5.897 -6.910 -0.658 1.00 0.00 O ATOM 705 CB ALA A 48 -7.240 -8.584 1.942 1.00 0.00 C ATOM 0 H ALA A 48 -7.915 -10.518 0.600 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.087 -7.784 0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.977 -7.602 2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.205 -8.890 2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.479 -9.308 2.234 1.00 0.00 H new ATOM 711 N MET A 49 -5.048 -8.965 -0.247 1.00 0.00 N ATOM 712 CA MET A 49 -3.747 -8.665 -0.820 1.00 0.00 C ATOM 713 C MET A 49 -3.869 -8.323 -2.306 1.00 0.00 C ATOM 714 O MET A 49 -2.938 -7.781 -2.901 1.00 0.00 O ATOM 715 CB MET A 49 -2.821 -9.871 -0.647 1.00 0.00 C ATOM 716 CG MET A 49 -1.717 -9.573 0.369 1.00 0.00 C ATOM 717 SD MET A 49 -0.116 -9.772 -0.394 1.00 0.00 S ATOM 718 CE MET A 49 0.637 -8.216 0.054 1.00 0.00 C ATOM 0 H MET A 49 -5.144 -9.912 0.118 1.00 0.00 H new ATOM 0 HA MET A 49 -3.332 -7.801 -0.300 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.400 -10.734 -0.318 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.376 -10.133 -1.607 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.825 -8.557 0.748 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.807 -10.243 1.224 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.719 -8.335 0.100 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.386 -7.462 -0.692 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.265 -7.899 1.029 1.00 0.00 H new ATOM 728 N LEU A 50 -5.024 -8.653 -2.864 1.00 0.00 N ATOM 729 CA LEU A 50 -5.280 -8.388 -4.270 1.00 0.00 C ATOM 730 C LEU A 50 -4.394 -9.297 -5.125 1.00 0.00 C ATOM 731 O LEU A 50 -4.345 -9.152 -6.345 1.00 0.00 O ATOM 732 CB LEU A 50 -5.108 -6.899 -4.574 1.00 0.00 C ATOM 733 CG LEU A 50 -5.880 -5.936 -3.669 1.00 0.00 C ATOM 734 CD1 LEU A 50 -4.936 -5.214 -2.705 1.00 0.00 C ATOM 735 CD2 LEU A 50 -6.714 -4.956 -4.496 1.00 0.00 C ATOM 0 H LEU A 50 -5.794 -9.102 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.314 -8.623 -4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.048 -6.655 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.414 -6.721 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.575 -6.519 -3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.510 -4.536 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.424 -5.946 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.201 -4.645 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.252 -4.283 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.057 -4.376 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.428 -5.510 -5.106 1.00 0.00 H new ATOM 747 N GLY A 51 -3.715 -10.213 -4.450 1.00 0.00 N ATOM 748 CA GLY A 51 -2.834 -11.145 -5.133 1.00 0.00 C ATOM 749 C GLY A 51 -1.572 -10.440 -5.633 1.00 0.00 C ATOM 750 O GLY A 51 -1.147 -10.650 -6.768 1.00 0.00 O ATOM 0 H GLY A 51 -3.757 -10.330 -3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.559 -11.954 -4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.359 -11.598 -5.974 1.00 0.00 H new ATOM 754 N LEU A 52 -1.007 -9.617 -4.761 1.00 0.00 N ATOM 755 CA LEU A 52 0.198 -8.880 -5.100 1.00 0.00 C ATOM 756 C LEU A 52 0.922 -8.475 -3.814 1.00 0.00 C ATOM 757 O LEU A 52 0.303 -8.366 -2.757 1.00 0.00 O ATOM 758 CB LEU A 52 -0.135 -7.700 -6.015 1.00 0.00 C ATOM 759 CG LEU A 52 -0.426 -6.370 -5.316 1.00 0.00 C ATOM 760 CD1 LEU A 52 0.840 -5.803 -4.669 1.00 0.00 C ATOM 761 CD2 LEU A 52 -1.073 -5.374 -6.279 1.00 0.00 C ATOM 0 H LEU A 52 -1.362 -9.445 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 52 0.883 -9.510 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.698 -7.552 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.002 -7.968 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.142 -6.554 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.606 -4.858 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.220 -6.510 -3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.597 -5.637 -5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.269 -4.438 -5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.400 -5.188 -7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.011 -5.785 -6.651 1.00 0.00 H new ATOM 773 N LYS A 53 2.223 -8.264 -3.946 1.00 0.00 N ATOM 774 CA LYS A 53 3.038 -7.875 -2.808 1.00 0.00 C ATOM 775 C LYS A 53 3.600 -6.472 -3.045 1.00 0.00 C ATOM 776 O LYS A 53 3.920 -6.111 -4.177 1.00 0.00 O ATOM 777 CB LYS A 53 4.112 -8.929 -2.531 1.00 0.00 C ATOM 778 CG LYS A 53 4.748 -8.716 -1.156 1.00 0.00 C ATOM 779 CD LYS A 53 5.598 -7.444 -1.137 1.00 0.00 C ATOM 780 CE LYS A 53 7.018 -7.741 -0.652 1.00 0.00 C ATOM 781 NZ LYS A 53 7.005 -8.819 0.363 1.00 0.00 N ATOM 0 H LYS A 53 2.733 -8.355 -4.824 1.00 0.00 H new ATOM 0 HA LYS A 53 2.431 -7.828 -1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.671 -9.925 -2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.881 -8.882 -3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.968 -8.648 -0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.368 -9.576 -0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.634 -7.012 -2.137 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.135 -6.703 -0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.643 -8.035 -1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.460 -6.839 -0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.859 -8.751 0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.162 -8.720 0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.985 -9.744 -0.113 1.00 0.00 H new ATOM 795 N VAL A 54 3.704 -5.719 -1.960 1.00 0.00 N ATOM 796 CA VAL A 54 4.222 -4.364 -2.036 1.00 0.00 C ATOM 797 C VAL A 54 5.226 -4.142 -0.903 1.00 0.00 C ATOM 798 O VAL A 54 5.043 -4.650 0.202 1.00 0.00 O ATOM 799 CB VAL A 54 3.068 -3.360 -2.017 1.00 0.00 C ATOM 800 CG1 VAL A 54 3.588 -1.924 -2.109 1.00 0.00 C ATOM 801 CG2 VAL A 54 2.067 -3.654 -3.137 1.00 0.00 C ATOM 0 H VAL A 54 3.438 -6.022 -1.023 1.00 0.00 H new ATOM 0 HA VAL A 54 4.753 -4.211 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 54 2.547 -3.467 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.747 -1.231 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.243 -1.719 -1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.145 -1.798 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.257 -2.926 -3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.571 -3.589 -4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.660 -4.657 -3.007 1.00 0.00 H new ATOM 811 N VAL A 55 6.265 -3.382 -1.216 1.00 0.00 N ATOM 812 CA VAL A 55 7.298 -3.086 -0.238 1.00 0.00 C ATOM 813 C VAL A 55 7.453 -1.569 -0.109 1.00 0.00 C ATOM 814 O VAL A 55 7.925 -0.909 -1.033 1.00 0.00 O ATOM 815 CB VAL A 55 8.601 -3.790 -0.624 1.00 0.00 C ATOM 816 CG1 VAL A 55 9.018 -3.427 -2.051 1.00 0.00 C ATOM 817 CG2 VAL A 55 9.715 -3.465 0.372 1.00 0.00 C ATOM 0 H VAL A 55 6.414 -2.962 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 55 7.016 -3.468 0.743 1.00 0.00 H new ATOM 0 HB VAL A 55 8.424 -4.865 -0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.947 -3.940 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.237 -3.732 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.168 -2.350 -2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.630 -3.978 0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.890 -2.389 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.421 -3.796 1.368 1.00 0.00 H new ATOM 827 N GLY A 56 7.048 -1.062 1.046 1.00 0.00 N ATOM 828 CA GLY A 56 7.136 0.365 1.308 1.00 0.00 C ATOM 829 C GLY A 56 8.383 0.695 2.131 1.00 0.00 C ATOM 830 O GLY A 56 9.206 -0.180 2.396 1.00 0.00 O ATOM 0 H GLY A 56 6.658 -1.613 1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.163 0.911 0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.245 0.696 1.842 1.00 0.00 H new ATOM 834 N GLY A 57 8.484 1.960 2.511 1.00 0.00 N ATOM 835 CA GLY A 57 9.617 2.417 3.298 1.00 0.00 C ATOM 836 C GLY A 57 10.935 2.146 2.570 1.00 0.00 C ATOM 837 O GLY A 57 12.006 2.209 3.173 1.00 0.00 O ATOM 0 H GLY A 57 7.800 2.683 2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.520 3.484 3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.621 1.912 4.264 1.00 0.00 H new ATOM 841 N LYS A 58 10.814 1.849 1.285 1.00 0.00 N ATOM 842 CA LYS A 58 11.983 1.567 0.469 1.00 0.00 C ATOM 843 C LYS A 58 12.760 2.864 0.233 1.00 0.00 C ATOM 844 O LYS A 58 12.233 3.810 -0.350 1.00 0.00 O ATOM 845 CB LYS A 58 11.576 0.851 -0.821 1.00 0.00 C ATOM 846 CG LYS A 58 12.794 0.589 -1.710 1.00 0.00 C ATOM 847 CD LYS A 58 12.965 -0.908 -1.977 1.00 0.00 C ATOM 848 CE LYS A 58 12.364 -1.296 -3.329 1.00 0.00 C ATOM 849 NZ LYS A 58 13.350 -2.046 -4.139 1.00 0.00 N ATOM 0 H LYS A 58 9.925 1.797 0.788 1.00 0.00 H new ATOM 0 HA LYS A 58 12.654 0.883 0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.088 -0.093 -0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.849 1.456 -1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.680 1.120 -2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.690 0.981 -1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.024 -1.166 -1.958 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.484 -1.480 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.472 -1.904 -3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.051 -0.400 -3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.926 -2.302 -5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.189 -1.453 -4.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.629 -2.911 -3.633 1.00 0.00 H new ATOM 863 N MET A 59 14.000 2.866 0.699 1.00 0.00 N ATOM 864 CA MET A 59 14.855 4.032 0.546 1.00 0.00 C ATOM 865 C MET A 59 15.396 4.132 -0.882 1.00 0.00 C ATOM 866 O MET A 59 16.193 3.297 -1.307 1.00 0.00 O ATOM 867 CB MET A 59 16.023 3.941 1.530 1.00 0.00 C ATOM 868 CG MET A 59 16.364 5.317 2.105 1.00 0.00 C ATOM 869 SD MET A 59 15.398 5.620 3.575 1.00 0.00 S ATOM 870 CE MET A 59 14.811 7.270 3.226 1.00 0.00 C ATOM 0 H MET A 59 14.434 2.079 1.183 1.00 0.00 H new ATOM 0 HA MET A 59 14.263 4.923 0.753 1.00 0.00 H new ATOM 0 HB2 MET A 59 15.768 3.257 2.340 1.00 0.00 H new ATOM 0 HB3 MET A 59 16.896 3.527 1.026 1.00 0.00 H new ATOM 0 HG2 MET A 59 17.427 5.368 2.341 1.00 0.00 H new ATOM 0 HG3 MET A 59 16.165 6.090 1.363 1.00 0.00 H new ATOM 0 HE1 MET A 59 14.186 7.616 4.050 1.00 0.00 H new ATOM 0 HE2 MET A 59 15.662 7.942 3.109 1.00 0.00 H new ATOM 0 HE3 MET A 59 14.226 7.261 2.306 1.00 0.00 H new ATOM 880 N THR A 60 14.940 5.160 -1.583 1.00 0.00 N ATOM 881 CA THR A 60 15.369 5.380 -2.953 1.00 0.00 C ATOM 882 C THR A 60 16.705 6.125 -2.982 1.00 0.00 C ATOM 883 O THR A 60 17.382 6.232 -1.960 1.00 0.00 O ATOM 884 CB THR A 60 14.246 6.116 -3.687 1.00 0.00 C ATOM 885 OG1 THR A 60 13.965 7.238 -2.854 1.00 0.00 O ATOM 886 CG2 THR A 60 12.937 5.324 -3.701 1.00 0.00 C ATOM 0 H THR A 60 14.278 5.849 -1.227 1.00 0.00 H new ATOM 0 HA THR A 60 15.549 4.436 -3.467 1.00 0.00 H new ATOM 0 HB THR A 60 14.556 6.321 -4.712 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.216 7.024 -2.259 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.174 5.891 -4.234 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.095 4.369 -4.202 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.608 5.147 -2.677 1.00 0.00 H new ATOM 894 N GLU A 61 17.044 6.621 -4.163 1.00 0.00 N ATOM 895 CA GLU A 61 18.287 7.353 -4.337 1.00 0.00 C ATOM 896 C GLU A 61 18.075 8.838 -4.038 1.00 0.00 C ATOM 897 O GLU A 61 19.033 9.607 -3.982 1.00 0.00 O ATOM 898 CB GLU A 61 18.848 7.152 -5.747 1.00 0.00 C ATOM 899 CG GLU A 61 17.748 7.299 -6.800 1.00 0.00 C ATOM 900 CD GLU A 61 18.303 7.905 -8.091 1.00 0.00 C ATOM 901 OE1 GLU A 61 18.816 7.116 -8.914 1.00 0.00 O ATOM 902 OE2 GLU A 61 18.202 9.143 -8.226 1.00 0.00 O ATOM 0 H GLU A 61 16.480 6.530 -5.008 1.00 0.00 H new ATOM 0 HA GLU A 61 19.019 6.961 -3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 61 19.637 7.880 -5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 61 19.301 6.164 -5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.309 6.324 -7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.949 7.931 -6.411 1.00 0.00 H new ATOM 909 N SER A 62 16.813 9.197 -3.853 1.00 0.00 N ATOM 910 CA SER A 62 16.463 10.577 -3.561 1.00 0.00 C ATOM 911 C SER A 62 16.268 10.760 -2.054 1.00 0.00 C ATOM 912 O SER A 62 16.046 11.874 -1.584 1.00 0.00 O ATOM 913 CB SER A 62 15.198 10.996 -4.314 1.00 0.00 C ATOM 914 OG SER A 62 15.491 11.859 -5.409 1.00 0.00 O ATOM 0 H SER A 62 16.021 8.557 -3.900 1.00 0.00 H new ATOM 0 HA SER A 62 17.281 11.215 -3.896 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.683 10.108 -4.680 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.517 11.499 -3.628 1.00 0.00 H new ATOM 0 HG SER A 62 14.659 12.103 -5.865 1.00 0.00 H new ATOM 920 N GLY A 63 16.359 9.648 -1.339 1.00 0.00 N ATOM 921 CA GLY A 63 16.195 9.671 0.104 1.00 0.00 C ATOM 922 C GLY A 63 14.716 9.610 0.490 1.00 0.00 C ATOM 923 O GLY A 63 14.368 9.765 1.660 1.00 0.00 O ATOM 0 H GLY A 63 16.544 8.725 -1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.725 8.828 0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.643 10.578 0.510 1.00 0.00 H new ATOM 927 N ARG A 64 13.884 9.383 -0.516 1.00 0.00 N ATOM 928 CA ARG A 64 12.450 9.299 -0.297 1.00 0.00 C ATOM 929 C ARG A 64 12.007 7.836 -0.235 1.00 0.00 C ATOM 930 O ARG A 64 12.700 6.952 -0.737 1.00 0.00 O ATOM 931 CB ARG A 64 11.680 10.010 -1.412 1.00 0.00 C ATOM 932 CG ARG A 64 11.244 11.409 -0.970 1.00 0.00 C ATOM 933 CD ARG A 64 9.843 11.377 -0.354 1.00 0.00 C ATOM 934 NE ARG A 64 9.191 12.696 -0.512 1.00 0.00 N ATOM 935 CZ ARG A 64 9.477 13.770 0.237 1.00 0.00 C ATOM 936 NH1 ARG A 64 10.405 13.688 1.200 1.00 0.00 N ATOM 937 NH2 ARG A 64 8.835 14.927 0.023 1.00 0.00 N ATOM 0 H ARG A 64 14.176 9.255 -1.485 1.00 0.00 H new ATOM 0 HA ARG A 64 12.231 9.789 0.651 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.306 10.084 -2.301 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.804 9.422 -1.687 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.955 11.803 -0.244 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.254 12.084 -1.826 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.243 10.605 -0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.907 11.118 0.703 1.00 0.00 H new ATOM 0 HE ARG A 64 8.479 12.794 -1.236 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.894 12.808 1.363 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.622 14.506 1.770 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.129 14.990 -0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.053 15.744 0.593 1.00 0.00 H new ATOM 951 N LEU A 65 10.856 7.625 0.387 1.00 0.00 N ATOM 952 CA LEU A 65 10.313 6.284 0.521 1.00 0.00 C ATOM 953 C LEU A 65 9.108 6.131 -0.409 1.00 0.00 C ATOM 954 O LEU A 65 8.344 7.076 -0.603 1.00 0.00 O ATOM 955 CB LEU A 65 10.000 5.978 1.987 1.00 0.00 C ATOM 956 CG LEU A 65 11.182 6.059 2.956 1.00 0.00 C ATOM 957 CD1 LEU A 65 10.700 6.079 4.408 1.00 0.00 C ATOM 958 CD2 LEU A 65 12.180 4.928 2.699 1.00 0.00 C ATOM 0 H LEU A 65 10.285 8.360 0.804 1.00 0.00 H new ATOM 0 HA LEU A 65 11.050 5.542 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.230 6.671 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.575 4.976 2.046 1.00 0.00 H new ATOM 0 HG LEU A 65 11.706 6.998 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.559 6.137 5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.058 6.946 4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.138 5.169 4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.010 5.009 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.683 3.967 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.558 5.001 1.679 1.00 0.00 H new ATOM 970 N CYS A 66 8.975 4.934 -0.961 1.00 0.00 N ATOM 971 CA CYS A 66 7.876 4.644 -1.866 1.00 0.00 C ATOM 972 C CYS A 66 7.673 3.128 -1.906 1.00 0.00 C ATOM 973 O CYS A 66 8.613 2.367 -1.687 1.00 0.00 O ATOM 974 CB CYS A 66 8.125 5.224 -3.260 1.00 0.00 C ATOM 975 SG CYS A 66 6.534 5.684 -4.039 1.00 0.00 S ATOM 0 H CYS A 66 9.611 4.153 -0.799 1.00 0.00 H new ATOM 0 HA CYS A 66 6.966 5.121 -1.502 1.00 0.00 H new ATOM 0 HB2 CYS A 66 8.771 6.099 -3.189 1.00 0.00 H new ATOM 0 HB3 CYS A 66 8.645 4.493 -3.880 1.00 0.00 H new ATOM 0 HG CYS A 66 5.870 4.607 -4.338 1.00 0.00 H new ATOM 981 N ALA A 67 6.439 2.736 -2.189 1.00 0.00 N ATOM 982 CA ALA A 67 6.101 1.325 -2.260 1.00 0.00 C ATOM 983 C ALA A 67 6.373 0.811 -3.676 1.00 0.00 C ATOM 984 O ALA A 67 6.022 1.466 -4.656 1.00 0.00 O ATOM 985 CB ALA A 67 4.644 1.127 -1.838 1.00 0.00 C ATOM 0 H ALA A 67 5.662 3.371 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 67 6.720 0.747 -1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.390 0.068 -1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.510 1.481 -0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.992 1.690 -2.506 1.00 0.00 H new ATOM 991 N PHE A 68 6.995 -0.357 -3.737 1.00 0.00 N ATOM 992 CA PHE A 68 7.317 -0.966 -5.016 1.00 0.00 C ATOM 993 C PHE A 68 6.793 -2.402 -5.088 1.00 0.00 C ATOM 994 O PHE A 68 6.900 -3.155 -4.120 1.00 0.00 O ATOM 995 CB PHE A 68 8.843 -0.987 -5.130 1.00 0.00 C ATOM 996 CG PHE A 68 9.486 0.401 -5.127 1.00 0.00 C ATOM 997 CD1 PHE A 68 9.470 1.160 -6.255 1.00 0.00 C ATOM 998 CD2 PHE A 68 10.074 0.876 -3.996 1.00 0.00 C ATOM 999 CE1 PHE A 68 10.067 2.449 -6.253 1.00 0.00 C ATOM 1000 CE2 PHE A 68 10.671 2.164 -3.994 1.00 0.00 C ATOM 1001 CZ PHE A 68 10.655 2.924 -5.122 1.00 0.00 C ATOM 0 H PHE A 68 7.284 -0.898 -2.922 1.00 0.00 H new ATOM 0 HA PHE A 68 6.856 -0.398 -5.824 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.251 -1.567 -4.302 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.121 -1.503 -6.049 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.003 0.783 -7.153 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.087 0.273 -3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.054 3.052 -7.149 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.138 2.541 -3.096 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.109 3.904 -5.120 1.00 0.00 H new ATOM 1011 N ILE A 69 6.238 -2.739 -6.243 1.00 0.00 N ATOM 1012 CA ILE A 69 5.696 -4.071 -6.453 1.00 0.00 C ATOM 1013 C ILE A 69 6.848 -5.061 -6.637 1.00 0.00 C ATOM 1014 O ILE A 69 7.700 -4.873 -7.504 1.00 0.00 O ATOM 1015 CB ILE A 69 4.697 -4.066 -7.611 1.00 0.00 C ATOM 1016 CG1 ILE A 69 3.479 -3.201 -7.282 1.00 0.00 C ATOM 1017 CG2 ILE A 69 4.299 -5.492 -7.998 1.00 0.00 C ATOM 1018 CD1 ILE A 69 2.705 -2.838 -8.550 1.00 0.00 C ATOM 0 H ILE A 69 6.152 -2.113 -7.043 1.00 0.00 H new ATOM 0 HA ILE A 69 5.132 -4.396 -5.579 1.00 0.00 H new ATOM 0 HB ILE A 69 5.183 -3.620 -8.479 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.825 -3.735 -6.593 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.801 -2.291 -6.775 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.588 -5.460 -8.824 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.186 -6.047 -8.304 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.839 -5.986 -7.142 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.844 -2.223 -8.287 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.355 -2.283 -9.227 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.363 -3.749 -9.041 1.00 0.00 H new ATOM 1030 N THR A 70 6.836 -6.094 -5.808 1.00 0.00 N ATOM 1031 CA THR A 70 7.869 -7.114 -5.869 1.00 0.00 C ATOM 1032 C THR A 70 7.415 -8.281 -6.749 1.00 0.00 C ATOM 1033 O THR A 70 8.178 -8.768 -7.583 1.00 0.00 O ATOM 1034 CB THR A 70 8.208 -7.530 -4.436 1.00 0.00 C ATOM 1035 OG1 THR A 70 7.079 -8.294 -4.020 1.00 0.00 O ATOM 1036 CG2 THR A 70 8.231 -6.343 -3.472 1.00 0.00 C ATOM 0 H THR A 70 6.127 -6.247 -5.090 1.00 0.00 H new ATOM 0 HA THR A 70 8.777 -6.730 -6.335 1.00 0.00 H new ATOM 0 HB THR A 70 9.178 -8.027 -4.422 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.381 -9.067 -3.499 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.476 -6.693 -2.469 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.982 -5.623 -3.799 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.251 -5.865 -3.460 1.00 0.00 H new ATOM 1044 N LYS A 71 6.175 -8.695 -6.534 1.00 0.00 N ATOM 1045 CA LYS A 71 5.611 -9.795 -7.297 1.00 0.00 C ATOM 1046 C LYS A 71 4.095 -9.613 -7.400 1.00 0.00 C ATOM 1047 O LYS A 71 3.487 -8.950 -6.562 1.00 0.00 O ATOM 1048 CB LYS A 71 6.029 -11.137 -6.692 1.00 0.00 C ATOM 1049 CG LYS A 71 5.760 -12.285 -7.667 1.00 0.00 C ATOM 1050 CD LYS A 71 6.775 -13.414 -7.478 1.00 0.00 C ATOM 1051 CE LYS A 71 7.955 -13.257 -8.439 1.00 0.00 C ATOM 1052 NZ LYS A 71 8.264 -14.547 -9.096 1.00 0.00 N ATOM 0 H LYS A 71 5.545 -8.288 -5.842 1.00 0.00 H new ATOM 0 HA LYS A 71 6.003 -9.794 -8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.089 -11.111 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.483 -11.308 -5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.751 -12.669 -7.513 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.808 -11.916 -8.691 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.136 -13.414 -6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.290 -14.376 -7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.720 -12.505 -9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.830 -12.901 -7.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.067 -14.423 -9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.509 -15.254 -8.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.434 -14.872 -9.631 1.00 0.00 H new ATOM 1066 N VAL A 72 3.528 -10.215 -8.436 1.00 0.00 N ATOM 1067 CA VAL A 72 2.096 -10.127 -8.660 1.00 0.00 C ATOM 1068 C VAL A 72 1.538 -11.528 -8.921 1.00 0.00 C ATOM 1069 O VAL A 72 2.076 -12.271 -9.741 1.00 0.00 O ATOM 1070 CB VAL A 72 1.802 -9.146 -9.797 1.00 0.00 C ATOM 1071 CG1 VAL A 72 0.295 -8.981 -10.004 1.00 0.00 C ATOM 1072 CG2 VAL A 72 2.472 -7.794 -9.540 1.00 0.00 C ATOM 0 H VAL A 72 4.035 -10.765 -9.129 1.00 0.00 H new ATOM 0 HA VAL A 72 1.595 -9.736 -7.774 1.00 0.00 H new ATOM 0 HB VAL A 72 2.222 -9.560 -10.714 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.114 -8.279 -10.818 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.146 -9.946 -10.253 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.158 -8.600 -9.089 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.248 -7.115 -10.362 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.095 -7.372 -8.608 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.551 -7.931 -9.466 1.00 0.00 H new ATOM 1082 N LYS A 73 0.468 -11.847 -8.208 1.00 0.00 N ATOM 1083 CA LYS A 73 -0.168 -13.145 -8.352 1.00 0.00 C ATOM 1084 C LYS A 73 -0.667 -13.307 -9.789 1.00 0.00 C ATOM 1085 O LYS A 73 -1.589 -12.611 -10.212 1.00 0.00 O ATOM 1086 CB LYS A 73 -1.261 -13.327 -7.297 1.00 0.00 C ATOM 1087 CG LYS A 73 -1.768 -14.770 -7.276 1.00 0.00 C ATOM 1088 CD LYS A 73 -0.707 -15.716 -6.711 1.00 0.00 C ATOM 1089 CE LYS A 73 -1.272 -17.125 -6.523 1.00 0.00 C ATOM 1090 NZ LYS A 73 -0.507 -17.857 -5.489 1.00 0.00 N ATOM 0 H LYS A 73 0.025 -11.228 -7.528 1.00 0.00 H new ATOM 0 HA LYS A 73 0.552 -13.944 -8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.871 -13.060 -6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.089 -12.650 -7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.674 -14.832 -6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.036 -15.080 -8.286 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.150 -15.751 -7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.346 -15.335 -5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.321 -17.067 -6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.231 -17.669 -7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.904 -18.811 -5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.489 -17.929 -5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.568 -17.346 -4.585 1.00 0.00 H new ATOM 1104 N LYS A 74 -0.037 -14.230 -10.501 1.00 0.00 N ATOM 1105 CA LYS A 74 -0.406 -14.492 -11.882 1.00 0.00 C ATOM 1106 C LYS A 74 -1.790 -15.143 -11.921 1.00 0.00 C ATOM 1107 O LYS A 74 -1.933 -16.325 -11.613 1.00 0.00 O ATOM 1108 CB LYS A 74 0.680 -15.313 -12.580 1.00 0.00 C ATOM 1109 CG LYS A 74 0.552 -15.211 -14.101 1.00 0.00 C ATOM 1110 CD LYS A 74 0.394 -16.596 -14.732 1.00 0.00 C ATOM 1111 CE LYS A 74 1.645 -16.983 -15.524 1.00 0.00 C ATOM 1112 NZ LYS A 74 1.373 -18.160 -16.379 1.00 0.00 N ATOM 0 H LYS A 74 0.727 -14.806 -10.147 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.477 -13.559 -12.441 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.664 -14.960 -12.270 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.605 -16.357 -12.274 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.307 -14.591 -14.356 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.434 -14.719 -14.512 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.209 -17.336 -13.953 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.474 -16.603 -15.391 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.966 -16.144 -16.141 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.463 -17.205 -14.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.232 -18.410 -16.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.088 -18.964 -15.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.607 -17.935 -17.046 1.00 0.00 H new ATOM 1126 N GLY A 75 -2.775 -14.342 -12.302 1.00 0.00 N ATOM 1127 CA GLY A 75 -4.142 -14.825 -12.385 1.00 0.00 C ATOM 1128 C GLY A 75 -4.958 -14.373 -11.172 1.00 0.00 C ATOM 1129 O GLY A 75 -5.686 -15.167 -10.578 1.00 0.00 O ATOM 0 H GLY A 75 -2.653 -13.362 -12.556 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.607 -14.455 -13.299 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.144 -15.913 -12.444 1.00 0.00 H new ATOM 1133 N SER A 76 -4.810 -13.098 -10.842 1.00 0.00 N ATOM 1134 CA SER A 76 -5.525 -12.531 -9.711 1.00 0.00 C ATOM 1135 C SER A 76 -6.027 -11.128 -10.060 1.00 0.00 C ATOM 1136 O SER A 76 -5.658 -10.572 -11.093 1.00 0.00 O ATOM 1137 CB SER A 76 -4.636 -12.481 -8.467 1.00 0.00 C ATOM 1138 OG SER A 76 -4.716 -13.683 -7.705 1.00 0.00 O ATOM 0 H SER A 76 -4.206 -12.442 -11.338 1.00 0.00 H new ATOM 0 HA SER A 76 -6.379 -13.172 -9.490 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.602 -12.310 -8.767 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.931 -11.637 -7.844 1.00 0.00 H new ATOM 0 HG SER A 76 -5.006 -14.419 -8.284 1.00 0.00 H new ATOM 1144 N LEU A 77 -6.863 -10.598 -9.179 1.00 0.00 N ATOM 1145 CA LEU A 77 -7.420 -9.271 -9.382 1.00 0.00 C ATOM 1146 C LEU A 77 -6.315 -8.325 -9.856 1.00 0.00 C ATOM 1147 O LEU A 77 -6.355 -7.835 -10.984 1.00 0.00 O ATOM 1148 CB LEU A 77 -8.138 -8.793 -8.118 1.00 0.00 C ATOM 1149 CG LEU A 77 -9.588 -9.255 -7.955 1.00 0.00 C ATOM 1150 CD1 LEU A 77 -9.944 -9.430 -6.477 1.00 0.00 C ATOM 1151 CD2 LEU A 77 -10.550 -8.303 -8.668 1.00 0.00 C ATOM 0 H LEU A 77 -7.168 -11.063 -8.324 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.179 -9.292 -10.164 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.570 -9.131 -7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.121 -7.703 -8.104 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.692 -10.231 -8.429 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.979 -9.759 -6.389 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.287 -10.176 -6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.819 -8.480 -5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.573 -8.654 -8.537 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.452 -7.303 -8.245 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.311 -8.272 -9.731 1.00 0.00 H new ATOM 1163 N ALA A 78 -5.355 -8.098 -8.972 1.00 0.00 N ATOM 1164 CA ALA A 78 -4.242 -7.219 -9.287 1.00 0.00 C ATOM 1165 C ALA A 78 -3.312 -7.918 -10.281 1.00 0.00 C ATOM 1166 O ALA A 78 -2.144 -8.160 -9.980 1.00 0.00 O ATOM 1167 CB ALA A 78 -3.523 -6.824 -7.995 1.00 0.00 C ATOM 0 H ALA A 78 -5.325 -8.507 -8.038 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.597 -6.302 -9.757 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.688 -6.164 -8.230 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.219 -6.306 -7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.149 -7.719 -7.498 1.00 0.00 H new ATOM 1173 N ASP A 79 -3.865 -8.221 -11.446 1.00 0.00 N ATOM 1174 CA ASP A 79 -3.100 -8.887 -12.487 1.00 0.00 C ATOM 1175 C ASP A 79 -4.013 -9.175 -13.680 1.00 0.00 C ATOM 1176 O ASP A 79 -3.608 -9.011 -14.830 1.00 0.00 O ATOM 1177 CB ASP A 79 -2.537 -10.220 -11.989 1.00 0.00 C ATOM 1178 CG ASP A 79 -1.227 -10.655 -12.649 1.00 0.00 C ATOM 1179 OD1 ASP A 79 -1.017 -10.254 -13.814 1.00 0.00 O ATOM 1180 OD2 ASP A 79 -0.465 -11.380 -11.973 1.00 0.00 O ATOM 0 H ASP A 79 -4.834 -8.018 -11.692 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.277 -8.232 -12.772 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.379 -10.151 -10.913 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.284 -10.997 -12.152 1.00 0.00 H new ATOM 1185 N THR A 80 -5.228 -9.599 -13.366 1.00 0.00 N ATOM 1186 CA THR A 80 -6.202 -9.912 -14.398 1.00 0.00 C ATOM 1187 C THR A 80 -6.983 -8.656 -14.792 1.00 0.00 C ATOM 1188 O THR A 80 -7.240 -8.426 -15.972 1.00 0.00 O ATOM 1189 CB THR A 80 -7.092 -11.043 -13.881 1.00 0.00 C ATOM 1190 OG1 THR A 80 -7.523 -10.590 -12.601 1.00 0.00 O ATOM 1191 CG2 THR A 80 -6.302 -12.318 -13.578 1.00 0.00 C ATOM 0 H THR A 80 -5.561 -9.733 -12.411 1.00 0.00 H new ATOM 0 HA THR A 80 -5.715 -10.254 -15.311 1.00 0.00 H new ATOM 0 HB THR A 80 -7.865 -11.261 -14.618 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.743 -10.339 -12.063 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.981 -13.089 -13.214 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.811 -12.666 -14.487 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.550 -12.108 -12.817 1.00 0.00 H new ATOM 1199 N VAL A 81 -7.337 -7.877 -13.781 1.00 0.00 N ATOM 1200 CA VAL A 81 -8.083 -6.651 -14.007 1.00 0.00 C ATOM 1201 C VAL A 81 -7.139 -5.453 -13.879 1.00 0.00 C ATOM 1202 O VAL A 81 -7.262 -4.479 -14.620 1.00 0.00 O ATOM 1203 CB VAL A 81 -9.273 -6.578 -13.048 1.00 0.00 C ATOM 1204 CG1 VAL A 81 -10.392 -7.523 -13.491 1.00 0.00 C ATOM 1205 CG2 VAL A 81 -8.840 -6.877 -11.612 1.00 0.00 C ATOM 0 H VAL A 81 -7.121 -8.071 -12.803 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.494 -6.635 -15.016 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.663 -5.560 -13.075 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.226 -7.452 -12.793 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.730 -7.244 -14.489 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.018 -8.547 -13.507 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.705 -6.818 -10.951 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.412 -7.878 -11.562 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.093 -6.148 -11.298 1.00 0.00 H new ATOM 1215 N GLY A 82 -6.217 -5.566 -12.934 1.00 0.00 N ATOM 1216 CA GLY A 82 -5.252 -4.505 -12.700 1.00 0.00 C ATOM 1217 C GLY A 82 -4.110 -4.568 -13.716 1.00 0.00 C ATOM 1218 O GLY A 82 -3.602 -3.534 -14.149 1.00 0.00 O ATOM 0 H GLY A 82 -6.118 -6.376 -12.322 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.748 -3.537 -12.765 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.850 -4.590 -11.690 1.00 0.00 H new ATOM 1222 N HIS A 83 -3.740 -5.790 -14.068 1.00 0.00 N ATOM 1223 CA HIS A 83 -2.668 -6.001 -15.025 1.00 0.00 C ATOM 1224 C HIS A 83 -1.352 -5.477 -14.446 1.00 0.00 C ATOM 1225 O HIS A 83 -0.397 -5.238 -15.183 1.00 0.00 O ATOM 1226 CB HIS A 83 -3.014 -5.371 -16.376 1.00 0.00 C ATOM 1227 CG HIS A 83 -4.270 -5.922 -17.007 1.00 0.00 C ATOM 1228 ND1 HIS A 83 -5.421 -5.299 -17.391 1.00 0.00 N flip ATOM 1229 CD2 HIS A 83 -4.433 -7.263 -17.306 1.00 0.00 C flip ATOM 1230 CE1 HIS A 83 -6.242 -6.210 -17.898 1.00 0.00 C flip ATOM 1231 NE2 HIS A 83 -5.632 -7.429 -17.846 1.00 0.00 N flip ATOM 0 H HIS A 83 -4.164 -6.645 -13.707 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.544 -7.068 -15.208 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.128 -4.295 -16.245 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.179 -5.523 -17.060 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -3.706 -8.042 -17.129 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -7.231 -6.018 -18.288 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -6.029 -8.312 -18.166 1.00 0.00 H new ATOM 1239 N LEU A 84 -1.345 -5.315 -13.131 1.00 0.00 N ATOM 1240 CA LEU A 84 -0.162 -4.823 -12.445 1.00 0.00 C ATOM 1241 C LEU A 84 1.005 -5.779 -12.701 1.00 0.00 C ATOM 1242 O LEU A 84 0.806 -6.891 -13.188 1.00 0.00 O ATOM 1243 CB LEU A 84 -0.459 -4.599 -10.961 1.00 0.00 C ATOM 1244 CG LEU A 84 -1.520 -3.545 -10.640 1.00 0.00 C ATOM 1245 CD1 LEU A 84 -2.201 -3.841 -9.302 1.00 0.00 C ATOM 1246 CD2 LEU A 84 -0.924 -2.137 -10.681 1.00 0.00 C ATOM 0 H LEU A 84 -2.139 -5.515 -12.523 1.00 0.00 H new ATOM 0 HA LEU A 84 0.130 -3.850 -12.839 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.775 -5.548 -10.527 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.469 -4.315 -10.464 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.290 -3.591 -11.410 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.951 -3.076 -9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.682 -4.818 -9.347 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.456 -3.840 -8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.699 -1.407 -10.449 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.122 -2.060 -9.947 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.525 -1.939 -11.676 1.00 0.00 H new ATOM 1258 N ARG A 85 2.197 -5.310 -12.362 1.00 0.00 N ATOM 1259 CA ARG A 85 3.396 -6.109 -12.550 1.00 0.00 C ATOM 1260 C ARG A 85 4.474 -5.693 -11.547 1.00 0.00 C ATOM 1261 O ARG A 85 4.435 -4.585 -11.013 1.00 0.00 O ATOM 1262 CB ARG A 85 3.944 -5.956 -13.970 1.00 0.00 C ATOM 1263 CG ARG A 85 3.388 -7.042 -14.893 1.00 0.00 C ATOM 1264 CD ARG A 85 3.041 -6.468 -16.268 1.00 0.00 C ATOM 1265 NE ARG A 85 3.568 -7.352 -17.332 1.00 0.00 N ATOM 1266 CZ ARG A 85 4.825 -7.305 -17.794 1.00 0.00 C ATOM 1267 NH1 ARG A 85 5.692 -6.418 -17.287 1.00 0.00 N ATOM 1268 NH2 ARG A 85 5.216 -8.146 -18.761 1.00 0.00 N ATOM 0 H ARG A 85 2.358 -4.387 -11.958 1.00 0.00 H new ATOM 0 HA ARG A 85 3.127 -7.153 -12.388 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.682 -4.973 -14.361 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.032 -6.012 -13.951 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.121 -7.841 -15.003 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.499 -7.485 -14.445 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.960 -6.369 -16.368 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.463 -5.469 -16.371 1.00 0.00 H new ATOM 0 HE ARG A 85 2.935 -8.040 -17.739 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.395 -5.779 -16.550 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.649 -6.382 -17.638 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.557 -8.822 -19.146 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.173 -8.110 -19.112 1.00 0.00 H new ATOM 1282 N PRO A 86 5.435 -6.626 -11.315 1.00 0.00 N ATOM 1283 CA PRO A 86 6.522 -6.367 -10.386 1.00 0.00 C ATOM 1284 C PRO A 86 7.549 -5.411 -10.996 1.00 0.00 C ATOM 1285 O PRO A 86 8.253 -5.770 -11.939 1.00 0.00 O ATOM 1286 CB PRO A 86 7.100 -7.736 -10.066 1.00 0.00 C ATOM 1287 CG PRO A 86 6.626 -8.659 -11.176 1.00 0.00 C ATOM 1288 CD PRO A 86 5.513 -7.949 -11.929 1.00 0.00 C ATOM 0 HA PRO A 86 6.188 -5.868 -9.476 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.189 -7.700 -10.026 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.757 -8.087 -9.093 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.449 -8.900 -11.849 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.266 -9.601 -10.762 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.737 -7.879 -12.993 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.568 -8.485 -11.837 1.00 0.00 H new ATOM 1296 N GLY A 87 7.602 -4.213 -10.433 1.00 0.00 N ATOM 1297 CA GLY A 87 8.531 -3.203 -10.910 1.00 0.00 C ATOM 1298 C GLY A 87 7.893 -1.813 -10.879 1.00 0.00 C ATOM 1299 O GLY A 87 8.596 -0.803 -10.872 1.00 0.00 O ATOM 0 H GLY A 87 7.017 -3.919 -9.651 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.429 -3.209 -10.292 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.842 -3.442 -11.927 1.00 0.00 H new ATOM 1303 N ASP A 88 6.568 -1.805 -10.863 1.00 0.00 N ATOM 1304 CA ASP A 88 5.828 -0.555 -10.833 1.00 0.00 C ATOM 1305 C ASP A 88 5.992 0.097 -9.459 1.00 0.00 C ATOM 1306 O ASP A 88 6.595 -0.485 -8.559 1.00 0.00 O ATOM 1307 CB ASP A 88 4.335 -0.794 -11.067 1.00 0.00 C ATOM 1308 CG ASP A 88 3.807 -0.309 -12.419 1.00 0.00 C ATOM 1309 OD1 ASP A 88 4.586 0.370 -13.122 1.00 0.00 O ATOM 1310 OD2 ASP A 88 2.636 -0.628 -12.718 1.00 0.00 O ATOM 0 H ASP A 88 5.988 -2.644 -10.870 1.00 0.00 H new ATOM 0 HA ASP A 88 6.219 0.088 -11.622 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.135 -1.862 -10.977 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.774 -0.297 -10.275 1.00 0.00 H new ATOM 1315 N GLU A 89 5.444 1.298 -9.340 1.00 0.00 N ATOM 1316 CA GLU A 89 5.523 2.036 -8.091 1.00 0.00 C ATOM 1317 C GLU A 89 4.135 2.533 -7.680 1.00 0.00 C ATOM 1318 O GLU A 89 3.621 3.492 -8.253 1.00 0.00 O ATOM 1319 CB GLU A 89 6.511 3.199 -8.202 1.00 0.00 C ATOM 1320 CG GLU A 89 6.629 3.947 -6.873 1.00 0.00 C ATOM 1321 CD GLU A 89 7.569 5.147 -7.000 1.00 0.00 C ATOM 1322 OE1 GLU A 89 7.176 6.104 -7.702 1.00 0.00 O ATOM 1323 OE2 GLU A 89 8.660 5.081 -6.393 1.00 0.00 O ATOM 0 H GLU A 89 4.944 1.778 -10.088 1.00 0.00 H new ATOM 0 HA GLU A 89 5.891 1.363 -7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.490 2.822 -8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.183 3.886 -8.982 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.643 4.285 -6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.999 3.271 -6.103 1.00 0.00 H new ATOM 1330 N VAL A 90 3.569 1.858 -6.691 1.00 0.00 N ATOM 1331 CA VAL A 90 2.251 2.219 -6.196 1.00 0.00 C ATOM 1332 C VAL A 90 2.354 3.506 -5.376 1.00 0.00 C ATOM 1333 O VAL A 90 2.751 3.474 -4.212 1.00 0.00 O ATOM 1334 CB VAL A 90 1.650 1.053 -5.408 1.00 0.00 C ATOM 1335 CG1 VAL A 90 2.658 0.496 -4.401 1.00 0.00 C ATOM 1336 CG2 VAL A 90 0.354 1.473 -4.712 1.00 0.00 C ATOM 0 H VAL A 90 3.999 1.063 -6.219 1.00 0.00 H new ATOM 0 HA VAL A 90 1.572 2.416 -7.026 1.00 0.00 H new ATOM 0 HB VAL A 90 1.408 0.259 -6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.206 -0.332 -3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.543 0.141 -4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.944 1.281 -3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.053 0.626 -4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.560 2.292 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.370 1.801 -5.458 1.00 0.00 H new ATOM 1346 N LEU A 91 1.989 4.608 -6.015 1.00 0.00 N ATOM 1347 CA LEU A 91 2.035 5.904 -5.358 1.00 0.00 C ATOM 1348 C LEU A 91 1.069 5.904 -4.172 1.00 0.00 C ATOM 1349 O LEU A 91 1.485 6.075 -3.028 1.00 0.00 O ATOM 1350 CB LEU A 91 1.773 7.024 -6.366 1.00 0.00 C ATOM 1351 CG LEU A 91 2.937 7.379 -7.293 1.00 0.00 C ATOM 1352 CD1 LEU A 91 3.887 8.374 -6.625 1.00 0.00 C ATOM 1353 CD2 LEU A 91 3.666 6.119 -7.764 1.00 0.00 C ATOM 0 H LEU A 91 1.660 4.630 -6.980 1.00 0.00 H new ATOM 0 HA LEU A 91 3.031 6.094 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.919 6.740 -6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.486 7.920 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 91 2.531 7.867 -8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.705 8.609 -7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.344 9.287 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.289 7.936 -5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.489 6.399 -8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.058 5.581 -6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.971 5.478 -8.306 1.00 0.00 H new ATOM 1365 N GLU A 92 -0.204 5.711 -4.487 1.00 0.00 N ATOM 1366 CA GLU A 92 -1.233 5.688 -3.461 1.00 0.00 C ATOM 1367 C GLU A 92 -1.837 4.286 -3.348 1.00 0.00 C ATOM 1368 O GLU A 92 -1.504 3.398 -4.131 1.00 0.00 O ATOM 1369 CB GLU A 92 -2.316 6.730 -3.747 1.00 0.00 C ATOM 1370 CG GLU A 92 -1.831 8.136 -3.387 1.00 0.00 C ATOM 1371 CD GLU A 92 -0.459 8.418 -4.002 1.00 0.00 C ATOM 1372 OE1 GLU A 92 -0.437 8.769 -5.202 1.00 0.00 O ATOM 1373 OE2 GLU A 92 0.536 8.276 -3.260 1.00 0.00 O ATOM 0 H GLU A 92 -0.546 5.569 -5.438 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.773 5.943 -2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.591 6.695 -4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.214 6.493 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.551 8.874 -3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.776 8.239 -2.303 1.00 0.00 H new ATOM 1380 N TRP A 93 -2.715 4.133 -2.367 1.00 0.00 N ATOM 1381 CA TRP A 93 -3.368 2.855 -2.142 1.00 0.00 C ATOM 1382 C TRP A 93 -4.744 3.129 -1.530 1.00 0.00 C ATOM 1383 O TRP A 93 -4.868 3.281 -0.316 1.00 0.00 O ATOM 1384 CB TRP A 93 -2.500 1.940 -1.275 1.00 0.00 C ATOM 1385 CG TRP A 93 -3.159 0.604 -0.926 1.00 0.00 C ATOM 1386 CD1 TRP A 93 -4.152 0.376 -0.055 1.00 0.00 C ATOM 1387 CD2 TRP A 93 -2.830 -0.687 -1.480 1.00 0.00 C ATOM 1388 NE1 TRP A 93 -4.485 -0.962 -0.007 1.00 0.00 N ATOM 1389 CE2 TRP A 93 -3.656 -1.629 -0.901 1.00 0.00 C ATOM 1390 CE3 TRP A 93 -1.866 -1.048 -2.439 1.00 0.00 C ATOM 1391 CZ2 TRP A 93 -3.602 -2.993 -1.215 1.00 0.00 C ATOM 1392 CZ3 TRP A 93 -1.825 -2.414 -2.741 1.00 0.00 C ATOM 1393 CH2 TRP A 93 -2.649 -3.375 -2.168 1.00 0.00 C ATOM 0 H TRP A 93 -2.989 4.872 -1.720 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.504 2.321 -3.082 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -1.562 1.746 -1.796 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -2.250 2.462 -0.351 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -4.631 1.143 0.535 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -5.207 -1.384 0.577 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.210 -0.328 -2.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.259 -3.711 -0.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.101 -2.745 -3.471 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -2.555 -4.412 -2.456 1.00 0.00 H new ATOM 1404 N ASN A 94 -5.742 3.183 -2.399 1.00 0.00 N ATOM 1405 CA ASN A 94 -7.104 3.436 -1.959 1.00 0.00 C ATOM 1406 C ASN A 94 -7.243 4.908 -1.567 1.00 0.00 C ATOM 1407 O ASN A 94 -8.201 5.287 -0.894 1.00 0.00 O ATOM 1408 CB ASN A 94 -7.455 2.586 -0.736 1.00 0.00 C ATOM 1409 CG ASN A 94 -8.687 1.720 -1.006 1.00 0.00 C ATOM 1410 OD1 ASN A 94 -9.538 2.041 -1.820 1.00 0.00 O ATOM 1411 ND2 ASN A 94 -8.736 0.607 -0.279 1.00 0.00 N ATOM 0 H ASN A 94 -5.635 3.056 -3.405 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.776 3.182 -2.779 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.609 1.950 -0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.642 3.234 0.120 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.519 -0.038 -0.385 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.990 0.398 0.385 1.00 0.00 H new ATOM 1418 N GLY A 95 -6.274 5.698 -2.004 1.00 0.00 N ATOM 1419 CA GLY A 95 -6.277 7.121 -1.707 1.00 0.00 C ATOM 1420 C GLY A 95 -5.198 7.468 -0.680 1.00 0.00 C ATOM 1421 O GLY A 95 -4.952 8.642 -0.406 1.00 0.00 O ATOM 0 H GLY A 95 -5.481 5.380 -2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.108 7.688 -2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.255 7.415 -1.326 1.00 0.00 H new ATOM 1425 N ARG A 96 -4.582 6.427 -0.140 1.00 0.00 N ATOM 1426 CA ARG A 96 -3.535 6.607 0.851 1.00 0.00 C ATOM 1427 C ARG A 96 -2.171 6.721 0.167 1.00 0.00 C ATOM 1428 O ARG A 96 -1.783 5.844 -0.603 1.00 0.00 O ATOM 1429 CB ARG A 96 -3.506 5.440 1.840 1.00 0.00 C ATOM 1430 CG ARG A 96 -4.631 5.566 2.869 1.00 0.00 C ATOM 1431 CD ARG A 96 -4.092 6.063 4.212 1.00 0.00 C ATOM 1432 NE ARG A 96 -5.173 6.061 5.223 1.00 0.00 N ATOM 1433 CZ ARG A 96 -6.114 7.011 5.318 1.00 0.00 C ATOM 1434 NH1 ARG A 96 -6.112 8.044 4.465 1.00 0.00 N ATOM 1435 NH2 ARG A 96 -7.056 6.927 6.267 1.00 0.00 N ATOM 0 H ARG A 96 -4.788 5.455 -0.370 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.750 7.526 1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.606 4.498 1.300 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.543 5.414 2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.391 6.255 2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.116 4.599 3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.272 5.425 4.543 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -3.688 7.069 4.101 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.204 5.289 5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.394 8.108 3.743 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.828 8.767 4.538 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.057 6.141 6.917 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.772 7.649 6.340 1.00 0.00 H new ATOM 1449 N LEU A 97 -1.481 7.810 0.472 1.00 0.00 N ATOM 1450 CA LEU A 97 -0.168 8.051 -0.103 1.00 0.00 C ATOM 1451 C LEU A 97 0.858 7.148 0.584 1.00 0.00 C ATOM 1452 O LEU A 97 0.941 7.117 1.811 1.00 0.00 O ATOM 1453 CB LEU A 97 0.181 9.539 -0.039 1.00 0.00 C ATOM 1454 CG LEU A 97 1.454 9.962 -0.773 1.00 0.00 C ATOM 1455 CD1 LEU A 97 1.122 10.618 -2.114 1.00 0.00 C ATOM 1456 CD2 LEU A 97 2.321 10.864 0.107 1.00 0.00 C ATOM 0 H LEU A 97 -1.807 8.536 1.110 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.163 7.792 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.656 10.106 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.278 9.824 1.009 1.00 0.00 H new ATOM 0 HG LEU A 97 2.037 9.066 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.045 10.909 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.577 9.911 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.507 11.502 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.220 11.150 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.759 11.759 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.603 10.327 1.013 1.00 0.00 H new ATOM 1468 N LEU A 98 1.615 6.434 -0.237 1.00 0.00 N ATOM 1469 CA LEU A 98 2.633 5.533 0.276 1.00 0.00 C ATOM 1470 C LEU A 98 3.984 6.250 0.286 1.00 0.00 C ATOM 1471 O LEU A 98 4.913 5.821 0.969 1.00 0.00 O ATOM 1472 CB LEU A 98 2.637 4.224 -0.515 1.00 0.00 C ATOM 1473 CG LEU A 98 1.300 3.484 -0.596 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.459 2.139 -1.307 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.675 3.328 0.792 1.00 0.00 C ATOM 0 H LEU A 98 1.543 6.461 -1.254 1.00 0.00 H new ATOM 0 HA LEU A 98 2.412 5.255 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.974 4.437 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.373 3.555 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 98 0.614 4.084 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.494 1.634 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.828 2.304 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.168 1.519 -0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.274 2.799 0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.350 2.761 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.503 4.313 1.227 1.00 0.00 H new ATOM 1487 N GLN A 99 4.051 7.330 -0.478 1.00 0.00 N ATOM 1488 CA GLN A 99 5.273 8.111 -0.566 1.00 0.00 C ATOM 1489 C GLN A 99 5.628 8.696 0.802 1.00 0.00 C ATOM 1490 O GLN A 99 4.852 9.459 1.375 1.00 0.00 O ATOM 1491 CB GLN A 99 5.145 9.214 -1.618 1.00 0.00 C ATOM 1492 CG GLN A 99 5.498 8.687 -3.011 1.00 0.00 C ATOM 1493 CD GLN A 99 5.667 9.838 -4.005 1.00 0.00 C ATOM 1494 OE1 GLN A 99 5.243 10.958 -3.776 1.00 0.00 O ATOM 1495 NE2 GLN A 99 6.309 9.499 -5.120 1.00 0.00 N ATOM 0 H GLN A 99 3.278 7.683 -1.042 1.00 0.00 H new ATOM 0 HA GLN A 99 6.082 7.450 -0.878 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.127 9.603 -1.620 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.803 10.044 -1.362 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.419 8.106 -2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.715 8.014 -3.358 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.638 8.542 -5.248 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.472 10.196 -5.847 1.00 0.00 H new ATOM 1504 N GLY A 100 6.802 8.317 1.286 1.00 0.00 N ATOM 1505 CA GLY A 100 7.269 8.795 2.576 1.00 0.00 C ATOM 1506 C GLY A 100 6.972 7.777 3.679 1.00 0.00 C ATOM 1507 O GLY A 100 7.807 7.539 4.551 1.00 0.00 O ATOM 0 H GLY A 100 7.444 7.684 0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.341 8.985 2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.787 9.744 2.812 1.00 0.00 H new ATOM 1511 N ALA A 101 5.781 7.202 3.604 1.00 0.00 N ATOM 1512 CA ALA A 101 5.363 6.215 4.585 1.00 0.00 C ATOM 1513 C ALA A 101 6.361 5.055 4.592 1.00 0.00 C ATOM 1514 O ALA A 101 6.884 4.676 3.545 1.00 0.00 O ATOM 1515 CB ALA A 101 3.938 5.755 4.272 1.00 0.00 C ATOM 0 H ALA A 101 5.092 7.401 2.879 1.00 0.00 H new ATOM 0 HA ALA A 101 5.353 6.649 5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.625 5.015 5.008 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.263 6.610 4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.909 5.312 3.277 1.00 0.00 H new ATOM 1521 N THR A 102 6.595 4.525 5.783 1.00 0.00 N ATOM 1522 CA THR A 102 7.521 3.416 5.940 1.00 0.00 C ATOM 1523 C THR A 102 6.885 2.115 5.446 1.00 0.00 C ATOM 1524 O THR A 102 5.706 2.091 5.095 1.00 0.00 O ATOM 1525 CB THR A 102 7.952 3.364 7.407 1.00 0.00 C ATOM 1526 OG1 THR A 102 6.861 2.726 8.066 1.00 0.00 O ATOM 1527 CG2 THR A 102 8.015 4.751 8.049 1.00 0.00 C ATOM 0 H THR A 102 6.159 4.843 6.649 1.00 0.00 H new ATOM 0 HA THR A 102 8.413 3.556 5.329 1.00 0.00 H new ATOM 0 HB THR A 102 8.928 2.885 7.482 1.00 0.00 H new ATOM 0 HG1 THR A 102 7.057 2.649 9.023 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.326 4.657 9.089 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.733 5.369 7.510 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.031 5.217 8.005 1.00 0.00 H new ATOM 1535 N PHE A 103 7.693 1.066 5.435 1.00 0.00 N ATOM 1536 CA PHE A 103 7.223 -0.236 4.991 1.00 0.00 C ATOM 1537 C PHE A 103 6.045 -0.713 5.842 1.00 0.00 C ATOM 1538 O PHE A 103 5.026 -1.151 5.308 1.00 0.00 O ATOM 1539 CB PHE A 103 8.388 -1.213 5.159 1.00 0.00 C ATOM 1540 CG PHE A 103 8.074 -2.640 4.704 1.00 0.00 C ATOM 1541 CD1 PHE A 103 8.249 -2.992 3.402 1.00 0.00 C ATOM 1542 CD2 PHE A 103 7.619 -3.555 5.601 1.00 0.00 C ATOM 1543 CE1 PHE A 103 7.958 -4.316 2.980 1.00 0.00 C ATOM 1544 CE2 PHE A 103 7.328 -4.879 5.178 1.00 0.00 C ATOM 1545 CZ PHE A 103 7.504 -5.232 3.877 1.00 0.00 C ATOM 0 H PHE A 103 8.670 1.090 5.726 1.00 0.00 H new ATOM 0 HA PHE A 103 6.888 -0.177 3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.244 -0.843 4.594 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.683 -1.234 6.208 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.609 -2.265 2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.479 -3.275 6.635 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.097 -4.596 1.946 1.00 0.00 H new ATOM 0 HE2 PHE A 103 6.967 -5.606 5.890 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.283 -6.239 3.556 1.00 0.00 H new ATOM 1555 N GLU A 104 6.223 -0.613 7.151 1.00 0.00 N ATOM 1556 CA GLU A 104 5.187 -1.030 8.081 1.00 0.00 C ATOM 1557 C GLU A 104 3.918 -0.201 7.868 1.00 0.00 C ATOM 1558 O GLU A 104 2.811 -0.738 7.890 1.00 0.00 O ATOM 1559 CB GLU A 104 5.674 -0.924 9.527 1.00 0.00 C ATOM 1560 CG GLU A 104 6.734 -1.985 9.827 1.00 0.00 C ATOM 1561 CD GLU A 104 7.165 -1.931 11.295 1.00 0.00 C ATOM 1562 OE1 GLU A 104 6.271 -1.711 12.140 1.00 0.00 O ATOM 1563 OE2 GLU A 104 8.378 -2.110 11.537 1.00 0.00 O ATOM 0 H GLU A 104 7.069 -0.249 7.590 1.00 0.00 H new ATOM 0 HA GLU A 104 4.951 -2.076 7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.088 0.069 9.703 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.831 -1.044 10.208 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.339 -2.974 9.597 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.600 -1.830 9.184 1.00 0.00 H new ATOM 1570 N GLU A 105 4.121 1.092 7.666 1.00 0.00 N ATOM 1571 CA GLU A 105 3.007 2.000 7.449 1.00 0.00 C ATOM 1572 C GLU A 105 2.232 1.598 6.193 1.00 0.00 C ATOM 1573 O GLU A 105 1.012 1.442 6.235 1.00 0.00 O ATOM 1574 CB GLU A 105 3.490 3.448 7.355 1.00 0.00 C ATOM 1575 CG GLU A 105 3.568 4.091 8.741 1.00 0.00 C ATOM 1576 CD GLU A 105 3.569 5.618 8.638 1.00 0.00 C ATOM 1577 OE1 GLU A 105 4.597 6.155 8.174 1.00 0.00 O ATOM 1578 OE2 GLU A 105 2.540 6.213 9.025 1.00 0.00 O ATOM 0 H GLU A 105 5.040 1.533 7.648 1.00 0.00 H new ATOM 0 HA GLU A 105 2.335 1.931 8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.471 3.478 6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.812 4.021 6.722 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.722 3.764 9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.472 3.757 9.251 1.00 0.00 H new ATOM 1585 N VAL A 106 2.971 1.440 5.105 1.00 0.00 N ATOM 1586 CA VAL A 106 2.368 1.059 3.839 1.00 0.00 C ATOM 1587 C VAL A 106 1.512 -0.192 4.043 1.00 0.00 C ATOM 1588 O VAL A 106 0.396 -0.275 3.533 1.00 0.00 O ATOM 1589 CB VAL A 106 3.453 0.874 2.777 1.00 0.00 C ATOM 1590 CG1 VAL A 106 2.855 0.367 1.464 1.00 0.00 C ATOM 1591 CG2 VAL A 106 4.234 2.172 2.559 1.00 0.00 C ATOM 0 H VAL A 106 3.982 1.569 5.074 1.00 0.00 H new ATOM 0 HA VAL A 106 1.709 1.848 3.477 1.00 0.00 H new ATOM 0 HB VAL A 106 4.151 0.120 3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.648 0.244 0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.365 -0.592 1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.125 1.087 1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.999 2.013 1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.552 2.956 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.708 2.473 3.493 1.00 0.00 H new ATOM 1601 N TYR A 107 2.067 -1.135 4.790 1.00 0.00 N ATOM 1602 CA TYR A 107 1.369 -2.378 5.068 1.00 0.00 C ATOM 1603 C TYR A 107 0.086 -2.121 5.862 1.00 0.00 C ATOM 1604 O TYR A 107 -0.972 -2.650 5.526 1.00 0.00 O ATOM 1605 CB TYR A 107 2.323 -3.217 5.921 1.00 0.00 C ATOM 1606 CG TYR A 107 1.694 -4.490 6.490 1.00 0.00 C ATOM 1607 CD1 TYR A 107 0.729 -4.402 7.474 1.00 0.00 C ATOM 1608 CD2 TYR A 107 2.090 -5.725 6.021 1.00 0.00 C ATOM 1609 CE1 TYR A 107 0.137 -5.600 8.010 1.00 0.00 C ATOM 1610 CE2 TYR A 107 1.498 -6.924 6.556 1.00 0.00 C ATOM 1611 CZ TYR A 107 0.550 -6.802 7.525 1.00 0.00 C ATOM 1612 OH TYR A 107 -0.009 -7.933 8.031 1.00 0.00 O ATOM 0 H TYR A 107 2.993 -1.063 5.212 1.00 0.00 H new ATOM 0 HA TYR A 107 1.090 -2.877 4.140 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.188 -3.490 5.317 1.00 0.00 H new ATOM 0 HB3 TYR A 107 2.690 -2.606 6.745 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.419 -3.435 7.841 1.00 0.00 H new ATOM 0 HD2 TYR A 107 2.845 -5.793 5.252 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.618 -5.546 8.780 1.00 0.00 H new ATOM 0 HE2 TYR A 107 1.799 -7.897 6.197 1.00 0.00 H new ATOM 0 HH TYR A 107 0.381 -8.716 7.590 1.00 0.00 H new ATOM 1622 N ASN A 108 0.224 -1.309 6.900 1.00 0.00 N ATOM 1623 CA ASN A 108 -0.911 -0.976 7.744 1.00 0.00 C ATOM 1624 C ASN A 108 -2.067 -0.490 6.868 1.00 0.00 C ATOM 1625 O ASN A 108 -3.232 -0.721 7.189 1.00 0.00 O ATOM 1626 CB ASN A 108 -0.557 0.145 8.724 1.00 0.00 C ATOM 1627 CG ASN A 108 0.055 -0.421 10.007 1.00 0.00 C ATOM 1628 OD1 ASN A 108 -0.608 -0.603 11.014 1.00 0.00 O ATOM 1629 ND2 ASN A 108 1.355 -0.689 9.913 1.00 0.00 N ATOM 0 H ASN A 108 1.104 -0.872 7.175 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.190 -1.869 8.302 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.145 0.834 8.255 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.452 0.718 8.966 1.00 0.00 H new ATOM 0 HD21 ASN A 108 1.856 -1.071 10.715 1.00 0.00 H new ATOM 0 HD22 ASN A 108 1.850 -0.513 9.039 1.00 0.00 H new ATOM 1636 N ILE A 109 -1.706 0.173 5.780 1.00 0.00 N ATOM 1637 CA ILE A 109 -2.699 0.693 4.856 1.00 0.00 C ATOM 1638 C ILE A 109 -3.384 -0.474 4.141 1.00 0.00 C ATOM 1639 O ILE A 109 -4.611 -0.564 4.127 1.00 0.00 O ATOM 1640 CB ILE A 109 -2.065 1.710 3.905 1.00 0.00 C ATOM 1641 CG1 ILE A 109 -1.585 2.948 4.666 1.00 0.00 C ATOM 1642 CG2 ILE A 109 -3.026 2.072 2.770 1.00 0.00 C ATOM 1643 CD1 ILE A 109 -0.407 3.610 3.949 1.00 0.00 C ATOM 0 H ILE A 109 -0.739 0.362 5.517 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.475 1.236 5.396 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.187 1.251 3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.404 3.661 4.762 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -1.288 2.666 5.676 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.551 2.796 2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.276 1.174 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.936 2.504 3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -0.086 4.487 4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.419 2.903 3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.714 3.913 2.948 1.00 0.00 H new ATOM 1655 N ILE A 110 -2.562 -1.338 3.565 1.00 0.00 N ATOM 1656 CA ILE A 110 -3.073 -2.495 2.850 1.00 0.00 C ATOM 1657 C ILE A 110 -3.821 -3.403 3.827 1.00 0.00 C ATOM 1658 O ILE A 110 -4.843 -3.992 3.475 1.00 0.00 O ATOM 1659 CB ILE A 110 -1.944 -3.201 2.096 1.00 0.00 C ATOM 1660 CG1 ILE A 110 -1.295 -2.263 1.076 1.00 0.00 C ATOM 1661 CG2 ILE A 110 -2.442 -4.495 1.449 1.00 0.00 C ATOM 1662 CD1 ILE A 110 0.228 -2.401 1.095 1.00 0.00 C ATOM 0 H ILE A 110 -1.545 -1.260 3.579 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.789 -2.186 2.089 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.173 -3.477 2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.672 -2.489 0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.573 -1.232 1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -1.620 -4.977 0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.819 -5.166 2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.242 -4.265 0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.664 -1.723 0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.604 -2.151 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.503 -3.427 0.850 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.285 -3.489 5.035 1.00 0.00 N ATOM 1675 CA LEU A 111 -3.889 -4.315 6.066 1.00 0.00 C ATOM 1676 C LEU A 111 -5.180 -3.654 6.552 1.00 0.00 C ATOM 1677 O LEU A 111 -6.131 -4.340 6.925 1.00 0.00 O ATOM 1678 CB LEU A 111 -2.884 -4.597 7.185 1.00 0.00 C ATOM 1679 CG LEU A 111 -3.441 -5.294 8.428 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -4.129 -4.291 9.356 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -4.370 -6.446 8.040 1.00 0.00 C ATOM 0 H LEU A 111 -2.438 -3.000 5.323 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.162 -5.290 5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.080 -5.211 6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.438 -3.651 7.493 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.607 -5.725 8.981 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.516 -4.812 10.232 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.410 -3.535 9.672 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -4.952 -3.810 8.827 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.752 -6.925 8.942 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -5.203 -6.060 7.453 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.817 -7.176 7.448 1.00 0.00 H new ATOM 1693 N GLU A 112 -5.173 -2.329 6.532 1.00 0.00 N ATOM 1694 CA GLU A 112 -6.332 -1.568 6.966 1.00 0.00 C ATOM 1695 C GLU A 112 -7.427 -1.613 5.898 1.00 0.00 C ATOM 1696 O GLU A 112 -8.603 -1.416 6.200 1.00 0.00 O ATOM 1697 CB GLU A 112 -5.947 -0.124 7.296 1.00 0.00 C ATOM 1698 CG GLU A 112 -5.405 -0.014 8.722 1.00 0.00 C ATOM 1699 CD GLU A 112 -6.336 0.825 9.600 1.00 0.00 C ATOM 1700 OE1 GLU A 112 -7.564 0.703 9.403 1.00 0.00 O ATOM 1701 OE2 GLU A 112 -5.798 1.569 10.448 1.00 0.00 O ATOM 0 H GLU A 112 -4.383 -1.763 6.222 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.721 -2.023 7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.195 0.226 6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -6.817 0.523 7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.295 -1.010 9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.413 0.437 8.704 1.00 0.00 H new ATOM 1708 N SER A 113 -7.001 -1.874 4.670 1.00 0.00 N ATOM 1709 CA SER A 113 -7.931 -1.947 3.556 1.00 0.00 C ATOM 1710 C SER A 113 -8.356 -3.398 3.324 1.00 0.00 C ATOM 1711 O SER A 113 -8.749 -3.765 2.217 1.00 0.00 O ATOM 1712 CB SER A 113 -7.312 -1.366 2.283 1.00 0.00 C ATOM 1713 OG SER A 113 -6.829 -0.040 2.482 1.00 0.00 O ATOM 0 H SER A 113 -6.025 -2.037 4.423 1.00 0.00 H new ATOM 0 HA SER A 113 -8.810 -1.352 3.805 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.492 -2.005 1.954 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.055 -1.365 1.486 1.00 0.00 H new ATOM 0 HG SER A 113 -6.034 -0.064 3.055 1.00 0.00 H new ATOM 1719 N LYS A 114 -8.264 -4.185 4.386 1.00 0.00 N ATOM 1720 CA LYS A 114 -8.635 -5.588 4.312 1.00 0.00 C ATOM 1721 C LYS A 114 -10.158 -5.705 4.225 1.00 0.00 C ATOM 1722 O LYS A 114 -10.681 -6.428 3.378 1.00 0.00 O ATOM 1723 CB LYS A 114 -8.024 -6.366 5.480 1.00 0.00 C ATOM 1724 CG LYS A 114 -6.773 -7.127 5.038 1.00 0.00 C ATOM 1725 CD LYS A 114 -6.228 -7.994 6.174 1.00 0.00 C ATOM 1726 CE LYS A 114 -6.739 -9.432 6.061 1.00 0.00 C ATOM 1727 NZ LYS A 114 -5.908 -10.203 5.110 1.00 0.00 N ATOM 0 H LYS A 114 -7.938 -3.878 5.302 1.00 0.00 H new ATOM 0 HA LYS A 114 -8.228 -6.042 3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.769 -5.678 6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.758 -7.066 5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.009 -7.754 4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.008 -6.420 4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.138 -7.989 6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.527 -7.572 7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.719 -9.909 7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.777 -9.430 5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.387 -11.096 4.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.767 -9.647 4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.985 -10.409 5.543 1.00 0.00 H new ATOM 1741 N PRO A 115 -10.844 -4.964 5.135 1.00 0.00 N ATOM 1742 CA PRO A 115 -12.297 -4.977 5.168 1.00 0.00 C ATOM 1743 C PRO A 115 -12.880 -4.162 4.012 1.00 0.00 C ATOM 1744 O PRO A 115 -14.095 -4.124 3.825 1.00 0.00 O ATOM 1745 CB PRO A 115 -12.664 -4.419 6.533 1.00 0.00 C ATOM 1746 CG PRO A 115 -11.429 -3.684 7.029 1.00 0.00 C ATOM 1747 CD PRO A 115 -10.258 -4.096 6.152 1.00 0.00 C ATOM 0 HA PRO A 115 -12.712 -5.976 5.036 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.518 -3.745 6.463 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.945 -5.218 7.219 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.581 -2.606 6.981 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.231 -3.931 8.072 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.776 -3.228 5.702 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.496 -4.620 6.729 1.00 0.00 H new ATOM 1755 N GLU A 116 -11.986 -3.529 3.267 1.00 0.00 N ATOM 1756 CA GLU A 116 -12.396 -2.716 2.134 1.00 0.00 C ATOM 1757 C GLU A 116 -12.863 -3.608 0.982 1.00 0.00 C ATOM 1758 O GLU A 116 -12.214 -4.602 0.660 1.00 0.00 O ATOM 1759 CB GLU A 116 -11.264 -1.789 1.686 1.00 0.00 C ATOM 1760 CG GLU A 116 -11.231 -0.515 2.533 1.00 0.00 C ATOM 1761 CD GLU A 116 -10.728 0.675 1.713 1.00 0.00 C ATOM 1762 OE1 GLU A 116 -11.318 0.913 0.637 1.00 0.00 O ATOM 1763 OE2 GLU A 116 -9.765 1.320 2.181 1.00 0.00 O ATOM 0 H GLU A 116 -10.979 -3.562 3.426 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.232 -2.090 2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.310 -2.309 1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.396 -1.529 0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.229 -0.302 2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.584 -0.665 3.397 1.00 0.00 H new ATOM 1770 N PRO A 117 -14.015 -3.211 0.378 1.00 0.00 N ATOM 1771 CA PRO A 117 -14.576 -3.963 -0.731 1.00 0.00 C ATOM 1772 C PRO A 117 -13.779 -3.724 -2.015 1.00 0.00 C ATOM 1773 O PRO A 117 -13.628 -4.629 -2.834 1.00 0.00 O ATOM 1774 CB PRO A 117 -16.019 -3.497 -0.832 1.00 0.00 C ATOM 1775 CG PRO A 117 -16.084 -2.175 -0.085 1.00 0.00 C ATOM 1776 CD PRO A 117 -14.810 -2.039 0.734 1.00 0.00 C ATOM 0 HA PRO A 117 -14.529 -5.041 -0.575 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -16.317 -3.372 -1.873 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -16.697 -4.228 -0.392 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -16.178 -1.345 -0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -16.960 -2.146 0.563 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -14.283 -1.115 0.496 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -15.026 -2.016 1.802 1.00 0.00 H new ATOM 1784 N GLN A 118 -13.291 -2.500 -2.151 1.00 0.00 N ATOM 1785 CA GLN A 118 -12.514 -2.130 -3.321 1.00 0.00 C ATOM 1786 C GLN A 118 -11.130 -1.629 -2.903 1.00 0.00 C ATOM 1787 O GLN A 118 -10.853 -1.481 -1.714 1.00 0.00 O ATOM 1788 CB GLN A 118 -13.247 -1.079 -4.157 1.00 0.00 C ATOM 1789 CG GLN A 118 -14.286 -1.733 -5.070 1.00 0.00 C ATOM 1790 CD GLN A 118 -14.771 -0.752 -6.140 1.00 0.00 C ATOM 1791 OE1 GLN A 118 -15.030 -1.112 -7.277 1.00 0.00 O ATOM 1792 NE2 GLN A 118 -14.878 0.503 -5.715 1.00 0.00 N ATOM 0 H GLN A 118 -13.419 -1.752 -1.470 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.386 -3.016 -3.942 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -13.736 -0.362 -3.498 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -12.529 -0.521 -4.758 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -13.854 -2.613 -5.547 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -15.133 -2.076 -4.476 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.645 0.736 -4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.193 1.233 -6.354 1.00 0.00 H new ATOM 1801 N VAL A 119 -10.298 -1.381 -3.904 1.00 0.00 N ATOM 1802 CA VAL A 119 -8.950 -0.900 -3.654 1.00 0.00 C ATOM 1803 C VAL A 119 -8.451 -0.135 -4.882 1.00 0.00 C ATOM 1804 O VAL A 119 -8.083 -0.741 -5.888 1.00 0.00 O ATOM 1805 CB VAL A 119 -8.040 -2.068 -3.267 1.00 0.00 C ATOM 1806 CG1 VAL A 119 -6.619 -1.582 -2.973 1.00 0.00 C ATOM 1807 CG2 VAL A 119 -8.614 -2.837 -2.076 1.00 0.00 C ATOM 0 H VAL A 119 -10.531 -1.504 -4.889 1.00 0.00 H new ATOM 0 HA VAL A 119 -8.942 -0.207 -2.813 1.00 0.00 H new ATOM 0 HB VAL A 119 -7.991 -2.751 -4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.993 -2.432 -2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.209 -1.099 -3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.642 -0.869 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -7.949 -3.662 -1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -8.706 -2.167 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.597 -3.231 -2.336 1.00 0.00 H new ATOM 1817 N GLU A 120 -8.453 1.184 -4.759 1.00 0.00 N ATOM 1818 CA GLU A 120 -8.005 2.038 -5.847 1.00 0.00 C ATOM 1819 C GLU A 120 -6.514 2.347 -5.699 1.00 0.00 C ATOM 1820 O GLU A 120 -6.119 3.109 -4.819 1.00 0.00 O ATOM 1821 CB GLU A 120 -8.829 3.326 -5.908 1.00 0.00 C ATOM 1822 CG GLU A 120 -8.462 4.153 -7.142 1.00 0.00 C ATOM 1823 CD GLU A 120 -8.785 5.633 -6.925 1.00 0.00 C ATOM 1824 OE1 GLU A 120 -9.910 5.905 -6.453 1.00 0.00 O ATOM 1825 OE2 GLU A 120 -7.899 6.458 -7.236 1.00 0.00 O ATOM 0 H GLU A 120 -8.758 1.683 -3.923 1.00 0.00 H new ATOM 0 HA GLU A 120 -8.154 1.506 -6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.891 3.082 -5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.658 3.915 -5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.400 4.037 -7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -9.008 3.781 -8.009 1.00 0.00 H new ATOM 1832 N LEU A 121 -5.727 1.739 -6.574 1.00 0.00 N ATOM 1833 CA LEU A 121 -4.288 1.939 -6.552 1.00 0.00 C ATOM 1834 C LEU A 121 -3.921 3.074 -7.510 1.00 0.00 C ATOM 1835 O LEU A 121 -4.712 3.438 -8.379 1.00 0.00 O ATOM 1836 CB LEU A 121 -3.559 0.626 -6.846 1.00 0.00 C ATOM 1837 CG LEU A 121 -3.830 -0.524 -5.874 1.00 0.00 C ATOM 1838 CD1 LEU A 121 -2.671 -1.522 -5.869 1.00 0.00 C ATOM 1839 CD2 LEU A 121 -4.138 0.005 -4.471 1.00 0.00 C ATOM 0 H LEU A 121 -6.059 1.107 -7.303 1.00 0.00 H new ATOM 0 HA LEU A 121 -3.961 2.242 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.831 0.299 -7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.487 0.823 -6.855 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.715 -1.060 -6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.889 -2.329 -5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.541 -1.934 -6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -1.756 -1.015 -5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.327 -0.833 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.288 0.580 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.019 0.645 -4.509 1.00 0.00 H new ATOM 1851 N VAL A 122 -2.720 3.602 -7.320 1.00 0.00 N ATOM 1852 CA VAL A 122 -2.239 4.688 -8.156 1.00 0.00 C ATOM 1853 C VAL A 122 -0.721 4.572 -8.311 1.00 0.00 C ATOM 1854 O VAL A 122 0.021 4.768 -7.350 1.00 0.00 O ATOM 1855 CB VAL A 122 -2.680 6.032 -7.573 1.00 0.00 C ATOM 1856 CG1 VAL A 122 -2.345 7.180 -8.528 1.00 0.00 C ATOM 1857 CG2 VAL A 122 -4.171 6.020 -7.233 1.00 0.00 C ATOM 0 H VAL A 122 -2.066 3.297 -6.599 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.674 4.624 -9.154 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.127 6.193 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.669 8.124 -8.090 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.269 7.209 -8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.858 7.025 -9.477 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.458 6.987 -6.820 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.749 5.825 -8.137 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.371 5.239 -6.499 1.00 0.00 H new ATOM 1867 N VAL A 123 -0.305 4.255 -9.529 1.00 0.00 N ATOM 1868 CA VAL A 123 1.111 4.111 -9.822 1.00 0.00 C ATOM 1869 C VAL A 123 1.554 5.248 -10.745 1.00 0.00 C ATOM 1870 O VAL A 123 0.726 5.880 -11.399 1.00 0.00 O ATOM 1871 CB VAL A 123 1.386 2.724 -10.406 1.00 0.00 C ATOM 1872 CG1 VAL A 123 0.272 2.304 -11.368 1.00 0.00 C ATOM 1873 CG2 VAL A 123 2.751 2.680 -11.094 1.00 0.00 C ATOM 0 H VAL A 123 -0.924 4.094 -10.324 1.00 0.00 H new ATOM 0 HA VAL A 123 1.700 4.186 -8.908 1.00 0.00 H new ATOM 0 HB VAL A 123 1.404 2.010 -9.582 1.00 0.00 H new ATOM 0 HG11 VAL A 123 0.492 1.315 -11.769 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -0.678 2.277 -10.835 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.208 3.021 -12.186 1.00 0.00 H new ATOM 0 HG21 VAL A 123 2.922 1.683 -11.500 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.775 3.410 -11.903 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.531 2.915 -10.370 1.00 0.00 H new ATOM 1883 N SER A 124 2.859 5.473 -10.770 1.00 0.00 N ATOM 1884 CA SER A 124 3.422 6.522 -11.603 1.00 0.00 C ATOM 1885 C SER A 124 4.737 6.047 -12.225 1.00 0.00 C ATOM 1886 O SER A 124 5.750 5.937 -11.536 1.00 0.00 O ATOM 1887 CB SER A 124 3.649 7.802 -10.797 1.00 0.00 C ATOM 1888 OG SER A 124 4.481 8.729 -11.490 1.00 0.00 O ATOM 0 H SER A 124 3.543 4.947 -10.227 1.00 0.00 H new ATOM 0 HA SER A 124 2.711 6.746 -12.398 1.00 0.00 H new ATOM 0 HB2 SER A 124 2.688 8.269 -10.580 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.105 7.551 -9.839 1.00 0.00 H new ATOM 0 HG SER A 124 4.601 9.533 -10.943 1.00 0.00 H new ATOM 1894 N ARG A 125 4.678 5.777 -13.521 1.00 0.00 N ATOM 1895 CA ARG A 125 5.851 5.317 -14.244 1.00 0.00 C ATOM 1896 C ARG A 125 6.311 6.381 -15.242 1.00 0.00 C ATOM 1897 O ARG A 125 5.573 7.319 -15.539 1.00 0.00 O ATOM 1898 CB ARG A 125 5.560 4.016 -14.994 1.00 0.00 C ATOM 1899 CG ARG A 125 4.205 4.083 -15.703 1.00 0.00 C ATOM 1900 CD ARG A 125 4.046 2.926 -16.691 1.00 0.00 C ATOM 1901 NE ARG A 125 4.117 1.633 -15.974 1.00 0.00 N ATOM 1902 CZ ARG A 125 3.683 0.470 -16.476 1.00 0.00 C ATOM 1903 NH1 ARG A 125 3.143 0.429 -17.702 1.00 0.00 N ATOM 1904 NH2 ARG A 125 3.788 -0.654 -15.753 1.00 0.00 N ATOM 0 H ARG A 125 3.836 5.868 -14.089 1.00 0.00 H new ATOM 0 HA ARG A 125 6.640 5.134 -13.514 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.348 3.829 -15.724 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.568 3.180 -14.295 1.00 0.00 H new ATOM 0 HG2 ARG A 125 3.403 4.049 -14.966 1.00 0.00 H new ATOM 0 HG3 ARG A 125 4.113 5.032 -16.231 1.00 0.00 H new ATOM 0 HD2 ARG A 125 3.092 3.010 -17.212 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.828 2.974 -17.449 1.00 0.00 H new ATOM 0 HE ARG A 125 4.522 1.628 -15.038 1.00 0.00 H new ATOM 0 HH11 ARG A 125 3.063 1.284 -18.253 1.00 0.00 H new ATOM 0 HH12 ARG A 125 2.812 -0.457 -18.084 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.199 -0.624 -14.820 1.00 0.00 H new ATOM 0 HH22 ARG A 125 3.457 -1.540 -16.136 1.00 0.00 H new ATOM 1918 N SER A 126 7.529 6.200 -15.732 1.00 0.00 N ATOM 1919 CA SER A 126 8.096 7.133 -16.690 1.00 0.00 C ATOM 1920 C SER A 126 7.800 6.663 -18.116 1.00 0.00 C ATOM 1921 O SER A 126 8.266 5.604 -18.534 1.00 0.00 O ATOM 1922 CB SER A 126 9.605 7.286 -16.484 1.00 0.00 C ATOM 1923 OG SER A 126 10.348 6.365 -17.278 1.00 0.00 O ATOM 0 H SER A 126 8.139 5.421 -15.483 1.00 0.00 H new ATOM 0 HA SER A 126 7.635 8.108 -16.532 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.904 8.304 -16.734 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.845 7.133 -15.432 1.00 0.00 H new ATOM 0 HG SER A 126 9.744 5.682 -17.638 1.00 0.00 H new