USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 516 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 60 GLN : amide:sc= -0.0214 X(o=-0.021,f=0.23) USER MOD Set 1.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 59 GLN : amide:sc= -10.9! C(o=-20!,f=-12!) USER MOD Set 2.2: A 64 GLN : amide:sc= -9.13! C(o=-20!,f=-9.6!) USER MOD Single : A 11 HIS : no HD1:sc=-0.000887 X(o=-0.00089,f=-0.0028) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0512 USER MOD Single : A 36 HIS : no HD1:sc= 0.744 K(o=0.74,f=-3!) USER MOD Single : A 38 ASN : amide:sc= -0.873 K(o=-0.87,f=-1.6) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= -0.018 (180deg=-0.196) USER MOD Single : A 46 LYS NZ :NH3+ -118:sc= -0.378 (180deg=-1.44!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -3.45! K(o=-3.5!,f=-0.35) USER MOD Single : A 57 SER OG : rot -100:sc= -1.91! USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 1.005 -18.201 1.623 1.00 0.00 N ATOM 143 CA HIS A 11 1.057 -17.067 0.707 1.00 0.00 C ATOM 144 C HIS A 11 2.202 -16.125 1.083 1.00 0.00 C ATOM 145 O HIS A 11 3.366 -16.419 0.809 1.00 0.00 O ATOM 146 CB HIS A 11 -0.281 -16.317 0.708 1.00 0.00 C ATOM 147 CG HIS A 11 -1.358 -17.013 -0.065 1.00 0.00 C ATOM 148 ND1 HIS A 11 -2.513 -17.440 0.543 1.00 0.00 N ATOM 149 CD2 HIS A 11 -1.409 -17.327 -1.383 1.00 0.00 C ATOM 150 CE1 HIS A 11 -3.238 -18.000 -0.410 1.00 0.00 C ATOM 151 NE2 HIS A 11 -2.610 -17.955 -1.595 1.00 0.00 N ATOM 0 HA HIS A 11 1.240 -17.444 -0.299 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -0.613 -16.184 1.738 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -0.131 -15.322 0.290 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.650 -17.122 -2.124 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -4.213 -18.438 -0.254 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -2.958 -18.318 -2.482 1.00 0.00 H new ATOM 159 N ILE A 12 1.873 -14.997 1.708 1.00 0.00 N ATOM 160 CA ILE A 12 2.884 -14.030 2.112 1.00 0.00 C ATOM 161 C ILE A 12 3.126 -14.077 3.615 1.00 0.00 C ATOM 162 O ILE A 12 2.207 -14.335 4.394 1.00 0.00 O ATOM 163 CB ILE A 12 2.484 -12.594 1.701 1.00 0.00 C ATOM 164 CG1 ILE A 12 3.714 -11.813 1.246 1.00 0.00 C ATOM 165 CG2 ILE A 12 1.785 -11.862 2.841 1.00 0.00 C ATOM 166 CD1 ILE A 12 3.898 -11.819 -0.255 1.00 0.00 C ATOM 0 H ILE A 12 0.917 -14.733 1.944 1.00 0.00 H new ATOM 0 HA ILE A 12 3.806 -14.301 1.597 1.00 0.00 H new ATOM 0 HB ILE A 12 1.781 -12.667 0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.631 -10.783 1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.601 -12.237 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.518 -10.856 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.882 -12.404 3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.454 -11.801 3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.789 -11.247 -0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.011 -12.846 -0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.027 -11.369 -0.730 1.00 0.00 H new ATOM 178 N SER A 13 4.357 -13.794 4.020 1.00 0.00 N ATOM 179 CA SER A 13 4.694 -13.769 5.434 1.00 0.00 C ATOM 180 C SER A 13 4.131 -12.494 6.045 1.00 0.00 C ATOM 181 O SER A 13 3.543 -12.508 7.126 1.00 0.00 O ATOM 182 CB SER A 13 6.212 -13.831 5.630 1.00 0.00 C ATOM 183 OG SER A 13 6.586 -14.996 6.346 1.00 0.00 O ATOM 0 H SER A 13 5.133 -13.580 3.393 1.00 0.00 H new ATOM 0 HA SER A 13 4.260 -14.638 5.928 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.708 -13.822 4.659 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.549 -12.945 6.169 1.00 0.00 H new ATOM 0 HG SER A 13 7.560 -15.013 6.457 1.00 0.00 H new ATOM 189 N LYS A 14 4.304 -11.395 5.313 1.00 0.00 N ATOM 190 CA LYS A 14 3.807 -10.089 5.733 1.00 0.00 C ATOM 191 C LYS A 14 4.061 -9.050 4.642 1.00 0.00 C ATOM 192 O LYS A 14 5.078 -9.105 3.954 1.00 0.00 O ATOM 193 CB LYS A 14 4.476 -9.650 7.040 1.00 0.00 C ATOM 194 CG LYS A 14 5.972 -9.922 7.082 1.00 0.00 C ATOM 195 CD LYS A 14 6.401 -10.474 8.432 1.00 0.00 C ATOM 196 CE LYS A 14 7.009 -9.390 9.308 1.00 0.00 C ATOM 197 NZ LYS A 14 8.310 -9.813 9.896 1.00 0.00 N ATOM 0 H LYS A 14 4.790 -11.386 4.416 1.00 0.00 H new ATOM 0 HA LYS A 14 2.733 -10.170 5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.305 -8.583 7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.998 -10.165 7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.236 -10.631 6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.516 -9.001 6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.540 -10.912 8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.126 -11.275 8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.155 -8.486 8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.314 -9.139 10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.690 -9.046 10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.167 -10.661 10.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.982 -10.028 9.132 1.00 0.00 H new ATOM 211 N TYR A 15 3.141 -8.100 4.491 1.00 0.00 N ATOM 212 CA TYR A 15 3.290 -7.053 3.483 1.00 0.00 C ATOM 213 C TYR A 15 3.786 -5.770 4.135 1.00 0.00 C ATOM 214 O TYR A 15 3.497 -5.512 5.298 1.00 0.00 O ATOM 215 CB TYR A 15 1.952 -6.778 2.790 1.00 0.00 C ATOM 216 CG TYR A 15 1.791 -7.438 1.440 1.00 0.00 C ATOM 217 CD1 TYR A 15 2.330 -6.862 0.298 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.083 -8.626 1.305 1.00 0.00 C ATOM 219 CE1 TYR A 15 2.172 -7.450 -0.942 1.00 0.00 C ATOM 220 CE2 TYR A 15 0.918 -9.222 0.068 1.00 0.00 C ATOM 221 CZ TYR A 15 1.465 -8.630 -1.052 1.00 0.00 C ATOM 222 OH TYR A 15 1.301 -9.217 -2.285 1.00 0.00 O ATOM 0 H TYR A 15 2.290 -8.033 5.049 1.00 0.00 H new ATOM 0 HA TYR A 15 4.013 -7.393 2.742 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.145 -7.114 3.442 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.836 -5.701 2.669 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.883 -5.938 0.380 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.655 -9.091 2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.599 -6.989 -1.820 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.364 -10.145 -0.021 1.00 0.00 H new ATOM 0 HH TYR A 15 0.781 -10.042 -2.188 1.00 0.00 H new ATOM 232 N ILE A 16 4.528 -4.963 3.385 1.00 0.00 N ATOM 233 CA ILE A 16 5.043 -3.709 3.909 1.00 0.00 C ATOM 234 C ILE A 16 4.631 -2.546 3.025 1.00 0.00 C ATOM 235 O ILE A 16 4.933 -2.518 1.833 1.00 0.00 O ATOM 236 CB ILE A 16 6.585 -3.721 4.041 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.997 -4.298 5.399 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.155 -2.316 3.864 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.697 -3.380 6.567 1.00 0.00 C ATOM 0 H ILE A 16 4.784 -5.156 2.417 1.00 0.00 H new ATOM 0 HA ILE A 16 4.613 -3.588 4.903 1.00 0.00 H new ATOM 0 HB ILE A 16 6.992 -4.355 3.253 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.482 -5.246 5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.065 -4.514 5.383 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.240 -2.349 3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.890 -1.938 2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.742 -1.657 4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.016 -3.855 7.495 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.233 -2.440 6.438 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.626 -3.184 6.610 1.00 0.00 H new ATOM 251 N LEU A 17 3.961 -1.576 3.624 1.00 0.00 N ATOM 252 CA LEU A 17 3.532 -0.398 2.898 1.00 0.00 C ATOM 253 C LEU A 17 4.336 0.804 3.361 1.00 0.00 C ATOM 254 O LEU A 17 4.230 1.228 4.512 1.00 0.00 O ATOM 255 CB LEU A 17 2.043 -0.152 3.113 1.00 0.00 C ATOM 256 CG LEU A 17 1.320 0.499 1.933 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.148 -0.362 1.487 1.00 0.00 C ATOM 258 CD2 LEU A 17 0.849 1.897 2.303 1.00 0.00 C ATOM 0 H LEU A 17 3.704 -1.583 4.611 1.00 0.00 H new ATOM 0 HA LEU A 17 3.702 -0.555 1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.561 -1.104 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.917 0.481 3.991 1.00 0.00 H new ATOM 0 HG LEU A 17 2.020 0.583 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.355 0.116 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.513 -1.343 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.554 -0.477 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.337 2.346 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.164 1.838 3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.708 2.511 2.574 1.00 0.00 H new ATOM 270 N ARG A 18 5.143 1.346 2.463 1.00 0.00 N ATOM 271 CA ARG A 18 5.970 2.496 2.788 1.00 0.00 C ATOM 272 C ARG A 18 5.521 3.711 1.997 1.00 0.00 C ATOM 273 O ARG A 18 5.361 3.646 0.779 1.00 0.00 O ATOM 274 CB ARG A 18 7.445 2.195 2.505 1.00 0.00 C ATOM 275 CG ARG A 18 7.706 0.755 2.098 1.00 0.00 C ATOM 276 CD ARG A 18 9.006 0.232 2.685 1.00 0.00 C ATOM 277 NE ARG A 18 10.163 0.577 1.863 1.00 0.00 N ATOM 278 CZ ARG A 18 11.398 0.153 2.113 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.633 -0.646 3.147 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.401 0.522 1.327 1.00 0.00 N ATOM 0 H ARG A 18 5.243 1.009 1.506 1.00 0.00 H new ATOM 0 HA ARG A 18 5.858 2.710 3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.796 2.857 1.713 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.031 2.424 3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.879 0.128 2.429 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.743 0.685 1.011 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.140 0.640 3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.946 -0.851 2.788 1.00 0.00 H new ATOM 0 HE ARG A 18 10.015 1.177 1.051 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.865 -0.936 3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.582 -0.970 3.336 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.226 1.132 0.529 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.348 0.195 1.521 1.00 0.00 H new ATOM 294 N TRP A 19 5.315 4.819 2.694 1.00 0.00 N ATOM 295 CA TRP A 19 4.879 6.040 2.039 1.00 0.00 C ATOM 296 C TRP A 19 5.551 7.269 2.633 1.00 0.00 C ATOM 297 O TRP A 19 5.890 7.301 3.819 1.00 0.00 O ATOM 298 CB TRP A 19 3.351 6.169 2.097 1.00 0.00 C ATOM 299 CG TRP A 19 2.831 6.763 3.372 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.609 8.086 3.630 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.455 6.054 4.559 1.00 0.00 C ATOM 302 NE1 TRP A 19 2.123 8.242 4.906 1.00 0.00 N ATOM 303 CE2 TRP A 19 2.020 7.009 5.496 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.447 4.703 4.920 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.581 6.656 6.769 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.011 4.354 6.184 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.582 5.328 7.096 1.00 0.00 C ATOM 0 H TRP A 19 5.442 4.896 3.703 1.00 0.00 H new ATOM 0 HA TRP A 19 5.181 5.979 0.993 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.018 6.784 1.261 1.00 0.00 H new ATOM 0 HB3 TRP A 19 2.909 5.182 1.963 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.789 8.891 2.933 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.879 9.131 5.343 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.776 3.946 4.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 1.251 7.405 7.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.001 3.314 6.474 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.246 5.024 8.076 1.00 0.00 H new ATOM 318 N ARG A 20 5.744 8.276 1.787 1.00 0.00 N ATOM 319 CA ARG A 20 6.378 9.521 2.201 1.00 0.00 C ATOM 320 C ARG A 20 6.020 10.650 1.232 1.00 0.00 C ATOM 321 O ARG A 20 5.822 10.412 0.041 1.00 0.00 O ATOM 322 CB ARG A 20 7.900 9.334 2.284 1.00 0.00 C ATOM 323 CG ARG A 20 8.711 10.501 1.739 1.00 0.00 C ATOM 324 CD ARG A 20 9.153 10.250 0.306 1.00 0.00 C ATOM 325 NE ARG A 20 10.599 10.370 0.149 1.00 0.00 N ATOM 326 CZ ARG A 20 11.181 11.149 -0.758 1.00 0.00 C ATOM 327 NH1 ARG A 20 10.441 11.876 -1.585 1.00 0.00 N ATOM 328 NH2 ARG A 20 12.504 11.202 -0.838 1.00 0.00 N ATOM 0 H ARG A 20 5.468 8.253 0.805 1.00 0.00 H new ATOM 0 HA ARG A 20 6.009 9.794 3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.177 9.171 3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.173 8.432 1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.114 11.412 1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.586 10.663 2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.837 9.253 -0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.657 10.960 -0.356 1.00 0.00 H new ATOM 0 HE ARG A 20 11.197 9.825 0.770 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.423 11.838 -1.526 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.890 12.473 -2.280 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.076 10.645 -0.203 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.949 11.800 -1.534 1.00 0.00 H new ATOM 342 N PRO A 21 5.925 11.895 1.733 1.00 0.00 N ATOM 343 CA PRO A 21 5.580 13.055 0.904 1.00 0.00 C ATOM 344 C PRO A 21 6.546 13.255 -0.257 1.00 0.00 C ATOM 345 O PRO A 21 7.726 13.546 -0.056 1.00 0.00 O ATOM 346 CB PRO A 21 5.675 14.234 1.877 1.00 0.00 C ATOM 347 CG PRO A 21 5.498 13.627 3.223 1.00 0.00 C ATOM 348 CD PRO A 21 6.129 12.269 3.144 1.00 0.00 C ATOM 0 HA PRO A 21 4.599 12.939 0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.637 14.740 1.794 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.905 14.978 1.674 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.974 14.235 3.992 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.442 13.553 3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.187 12.299 3.406 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.653 11.562 3.823 1.00 0.00 H new ATOM 356 N LYS A 22 6.033 13.100 -1.472 1.00 0.00 N ATOM 357 CA LYS A 22 6.842 13.266 -2.675 1.00 0.00 C ATOM 358 C LYS A 22 7.108 14.741 -2.954 1.00 0.00 C ATOM 359 O LYS A 22 8.093 15.092 -3.605 1.00 0.00 O ATOM 360 CB LYS A 22 6.139 12.634 -3.878 1.00 0.00 C ATOM 361 CG LYS A 22 6.542 11.192 -4.132 1.00 0.00 C ATOM 362 CD LYS A 22 5.745 10.585 -5.276 1.00 0.00 C ATOM 363 CE LYS A 22 6.399 10.860 -6.619 1.00 0.00 C ATOM 364 NZ LYS A 22 5.556 10.388 -7.753 1.00 0.00 N ATOM 0 H LYS A 22 5.058 12.859 -1.651 1.00 0.00 H new ATOM 0 HA LYS A 22 7.796 12.765 -2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.061 12.679 -3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.358 13.225 -4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.606 11.146 -4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.387 10.605 -3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.656 9.509 -5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.734 10.992 -5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.581 11.930 -6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.370 10.366 -6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.037 10.594 -8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.403 9.363 -7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.639 10.878 -7.731 1.00 0.00 H new ATOM 378 N ASN A 23 6.221 15.601 -2.463 1.00 0.00 N ATOM 379 CA ASN A 23 6.354 17.039 -2.666 1.00 0.00 C ATOM 380 C ASN A 23 7.241 17.668 -1.595 1.00 0.00 C ATOM 381 O ASN A 23 7.994 18.603 -1.872 1.00 0.00 O ATOM 382 CB ASN A 23 4.976 17.702 -2.656 1.00 0.00 C ATOM 383 CG ASN A 23 5.049 19.195 -2.909 1.00 0.00 C ATOM 384 OD1 ASN A 23 4.574 19.996 -2.105 1.00 0.00 O ATOM 385 ND2 ASN A 23 5.646 19.577 -4.032 1.00 0.00 N ATOM 0 H ASN A 23 5.402 15.326 -1.921 1.00 0.00 H new ATOM 0 HA ASN A 23 6.825 17.200 -3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.348 17.238 -3.416 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.497 17.523 -1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.724 20.569 -4.256 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.026 18.878 -4.671 1.00 0.00 H new ATOM 392 N SER A 24 7.147 17.154 -0.373 1.00 0.00 N ATOM 393 CA SER A 24 7.942 17.672 0.734 1.00 0.00 C ATOM 394 C SER A 24 9.047 16.695 1.121 1.00 0.00 C ATOM 395 O SER A 24 9.233 15.664 0.475 1.00 0.00 O ATOM 396 CB SER A 24 7.048 17.949 1.943 1.00 0.00 C ATOM 397 OG SER A 24 7.335 19.216 2.511 1.00 0.00 O ATOM 0 H SER A 24 6.530 16.381 -0.125 1.00 0.00 H new ATOM 0 HA SER A 24 8.405 18.603 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.001 17.911 1.641 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.192 17.170 2.692 1.00 0.00 H new ATOM 0 HG SER A 24 6.749 19.370 3.281 1.00 0.00 H new ATOM 403 N VAL A 25 9.776 17.027 2.182 1.00 0.00 N ATOM 404 CA VAL A 25 10.862 16.181 2.660 1.00 0.00 C ATOM 405 C VAL A 25 10.612 15.726 4.095 1.00 0.00 C ATOM 406 O VAL A 25 10.269 16.530 4.962 1.00 0.00 O ATOM 407 CB VAL A 25 12.218 16.912 2.586 1.00 0.00 C ATOM 408 CG1 VAL A 25 12.149 18.247 3.314 1.00 0.00 C ATOM 409 CG2 VAL A 25 13.330 16.043 3.154 1.00 0.00 C ATOM 0 H VAL A 25 9.633 17.877 2.727 1.00 0.00 H new ATOM 0 HA VAL A 25 10.896 15.308 2.008 1.00 0.00 H new ATOM 0 HB VAL A 25 12.444 17.108 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.116 18.747 3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.385 18.874 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.897 18.078 4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.278 16.578 3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.113 15.809 4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.397 15.118 2.581 1.00 0.00 H new ATOM 419 N GLY A 26 10.783 14.430 4.337 1.00 0.00 N ATOM 420 CA GLY A 26 10.572 13.888 5.666 1.00 0.00 C ATOM 421 C GLY A 26 10.946 12.422 5.762 1.00 0.00 C ATOM 422 O GLY A 26 11.613 11.887 4.876 1.00 0.00 O ATOM 0 H GLY A 26 11.064 13.745 3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.161 14.458 6.385 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.525 14.011 5.943 1.00 0.00 H new ATOM 426 N ARG A 27 10.513 11.772 6.838 1.00 0.00 N ATOM 427 CA ARG A 27 10.806 10.357 7.045 1.00 0.00 C ATOM 428 C ARG A 27 9.699 9.482 6.470 1.00 0.00 C ATOM 429 O ARG A 27 8.536 9.885 6.424 1.00 0.00 O ATOM 430 CB ARG A 27 10.981 10.063 8.538 1.00 0.00 C ATOM 431 CG ARG A 27 12.419 10.179 9.016 1.00 0.00 C ATOM 432 CD ARG A 27 13.008 8.818 9.346 1.00 0.00 C ATOM 433 NE ARG A 27 12.899 7.887 8.226 1.00 0.00 N ATOM 434 CZ ARG A 27 13.850 7.720 7.310 1.00 0.00 C ATOM 435 NH1 ARG A 27 14.975 8.418 7.382 1.00 0.00 N ATOM 436 NH2 ARG A 27 13.675 6.854 6.323 1.00 0.00 N ATOM 0 H ARG A 27 9.959 12.201 7.579 1.00 0.00 H new ATOM 0 HA ARG A 27 11.735 10.125 6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.360 10.752 9.111 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.617 9.057 8.747 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.022 10.660 8.246 1.00 0.00 H new ATOM 0 HG3 ARG A 27 12.460 10.818 9.898 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.057 8.934 9.620 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.496 8.402 10.214 1.00 0.00 H new ATOM 0 HE ARG A 27 12.046 7.334 8.141 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.114 9.085 8.141 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.702 8.288 6.678 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.811 6.315 6.265 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.404 6.726 5.621 1.00 0.00 H new ATOM 450 N TRP A 28 10.068 8.282 6.032 1.00 0.00 N ATOM 451 CA TRP A 28 9.108 7.346 5.458 1.00 0.00 C ATOM 452 C TRP A 28 8.225 6.734 6.543 1.00 0.00 C ATOM 453 O TRP A 28 8.407 7.004 7.731 1.00 0.00 O ATOM 454 CB TRP A 28 9.841 6.234 4.704 1.00 0.00 C ATOM 455 CG TRP A 28 10.414 6.676 3.393 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.579 7.360 3.195 1.00 0.00 C ATOM 457 CD2 TRP A 28 9.848 6.462 2.095 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.772 7.584 1.854 1.00 0.00 N ATOM 459 CE2 TRP A 28 10.722 7.043 1.158 1.00 0.00 C ATOM 460 CE3 TRP A 28 8.687 5.835 1.636 1.00 0.00 C ATOM 461 CZ2 TRP A 28 10.472 7.015 -0.211 1.00 0.00 C ATOM 462 CZ3 TRP A 28 8.438 5.807 0.276 1.00 0.00 C ATOM 463 CH2 TRP A 28 9.327 6.394 -0.633 1.00 0.00 C ATOM 0 H TRP A 28 11.027 7.935 6.064 1.00 0.00 H new ATOM 0 HA TRP A 28 8.474 7.897 4.764 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.645 5.850 5.332 1.00 0.00 H new ATOM 0 HB3 TRP A 28 9.151 5.409 4.530 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.251 7.678 3.979 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.567 8.073 1.443 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.996 5.380 2.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.156 7.466 -0.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.544 5.325 -0.091 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.105 6.356 -1.689 1.00 0.00 H new ATOM 474 N LYS A 29 7.277 5.900 6.126 1.00 0.00 N ATOM 475 CA LYS A 29 6.372 5.236 7.057 1.00 0.00 C ATOM 476 C LYS A 29 6.197 3.780 6.658 1.00 0.00 C ATOM 477 O LYS A 29 6.373 3.433 5.493 1.00 0.00 O ATOM 478 CB LYS A 29 5.014 5.938 7.082 1.00 0.00 C ATOM 479 CG LYS A 29 4.803 6.807 8.311 1.00 0.00 C ATOM 480 CD LYS A 29 4.537 8.254 7.931 1.00 0.00 C ATOM 481 CE LYS A 29 5.825 8.991 7.601 1.00 0.00 C ATOM 482 NZ LYS A 29 5.889 10.323 8.261 1.00 0.00 N ATOM 0 H LYS A 29 7.116 5.668 5.146 1.00 0.00 H new ATOM 0 HA LYS A 29 6.804 5.285 8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.917 6.556 6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.225 5.187 7.038 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.964 6.422 8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.684 6.754 8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.867 8.288 7.072 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.028 8.759 8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.678 8.389 7.915 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.904 9.117 6.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.783 10.792 8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.090 10.907 7.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.839 10.202 9.293 1.00 0.00 H new ATOM 496 N GLU A 30 5.862 2.929 7.621 1.00 0.00 N ATOM 497 CA GLU A 30 5.682 1.509 7.342 1.00 0.00 C ATOM 498 C GLU A 30 4.406 0.963 7.973 1.00 0.00 C ATOM 499 O GLU A 30 4.123 1.201 9.148 1.00 0.00 O ATOM 500 CB GLU A 30 6.889 0.712 7.843 1.00 0.00 C ATOM 501 CG GLU A 30 7.724 1.447 8.880 1.00 0.00 C ATOM 502 CD GLU A 30 7.269 1.171 10.301 1.00 0.00 C ATOM 503 OE1 GLU A 30 6.511 0.200 10.506 1.00 0.00 O ATOM 504 OE2 GLU A 30 7.669 1.929 11.209 1.00 0.00 O ATOM 0 H GLU A 30 5.711 3.194 8.594 1.00 0.00 H new ATOM 0 HA GLU A 30 5.595 1.399 6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.540 -0.227 8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.523 0.459 6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.768 1.154 8.774 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.673 2.519 8.688 1.00 0.00 H new ATOM 511 N ALA A 31 3.652 0.209 7.178 1.00 0.00 N ATOM 512 CA ALA A 31 2.411 -0.407 7.632 1.00 0.00 C ATOM 513 C ALA A 31 2.329 -1.834 7.103 1.00 0.00 C ATOM 514 O ALA A 31 2.208 -2.047 5.896 1.00 0.00 O ATOM 515 CB ALA A 31 1.214 0.412 7.168 1.00 0.00 C ATOM 0 H ALA A 31 3.884 0.009 6.205 1.00 0.00 H new ATOM 0 HA ALA A 31 2.398 -0.434 8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.294 -0.060 7.514 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.282 1.420 7.578 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.208 0.463 6.079 1.00 0.00 H new ATOM 521 N THR A 32 2.427 -2.812 7.999 1.00 0.00 N ATOM 522 CA THR A 32 2.397 -4.213 7.590 1.00 0.00 C ATOM 523 C THR A 32 0.995 -4.800 7.576 1.00 0.00 C ATOM 524 O THR A 32 0.211 -4.612 8.507 1.00 0.00 O ATOM 525 CB THR A 32 3.275 -5.101 8.493 1.00 0.00 C ATOM 526 OG1 THR A 32 4.650 -4.721 8.372 1.00 0.00 O ATOM 527 CG2 THR A 32 3.113 -6.575 8.122 1.00 0.00 C ATOM 0 H THR A 32 2.527 -2.663 9.003 1.00 0.00 H new ATOM 0 HA THR A 32 2.791 -4.210 6.574 1.00 0.00 H new ATOM 0 HB THR A 32 2.953 -4.962 9.525 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.199 -5.290 8.951 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.741 -7.185 8.771 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.071 -6.869 8.245 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.411 -6.724 7.084 1.00 0.00 H new ATOM 535 N ILE A 33 0.713 -5.556 6.520 1.00 0.00 N ATOM 536 CA ILE A 33 -0.563 -6.233 6.374 1.00 0.00 C ATOM 537 C ILE A 33 -0.336 -7.628 5.794 1.00 0.00 C ATOM 538 O ILE A 33 -0.074 -7.777 4.604 1.00 0.00 O ATOM 539 CB ILE A 33 -1.526 -5.449 5.456 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.863 -4.164 4.951 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.816 -5.130 6.194 1.00 0.00 C ATOM 542 CD1 ILE A 33 -1.612 -3.501 3.815 1.00 0.00 C ATOM 0 H ILE A 33 1.360 -5.714 5.748 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.020 -6.302 7.361 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.765 -6.071 4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.778 -3.460 5.779 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.150 -4.393 4.622 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.485 -4.577 5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.297 -6.058 6.504 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.592 -4.526 7.073 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.084 -2.598 3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.675 -4.188 2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.617 -3.240 4.146 1.00 0.00 H new ATOM 554 N PRO A 34 -0.417 -8.677 6.628 1.00 0.00 N ATOM 555 CA PRO A 34 -0.202 -10.053 6.185 1.00 0.00 C ATOM 556 C PRO A 34 -1.422 -10.643 5.482 1.00 0.00 C ATOM 557 O PRO A 34 -2.530 -10.626 6.020 1.00 0.00 O ATOM 558 CB PRO A 34 0.090 -10.820 7.485 1.00 0.00 C ATOM 559 CG PRO A 34 0.050 -9.808 8.592 1.00 0.00 C ATOM 560 CD PRO A 34 -0.685 -8.609 8.064 1.00 0.00 C ATOM 0 HA PRO A 34 0.603 -10.113 5.452 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.650 -11.604 7.648 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.064 -11.306 7.438 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.455 -10.215 9.468 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.059 -9.536 8.903 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.752 -8.660 8.280 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.315 -7.682 8.502 1.00 0.00 H new ATOM 568 N GLY A 35 -1.203 -11.173 4.281 1.00 0.00 N ATOM 569 CA GLY A 35 -2.285 -11.773 3.518 1.00 0.00 C ATOM 570 C GLY A 35 -2.926 -10.808 2.540 1.00 0.00 C ATOM 571 O GLY A 35 -2.717 -9.598 2.622 1.00 0.00 O ATOM 0 H GLY A 35 -0.293 -11.198 3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.902 -12.635 2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.045 -12.143 4.206 1.00 0.00 H new ATOM 575 N HIS A 36 -3.712 -11.349 1.612 1.00 0.00 N ATOM 576 CA HIS A 36 -4.393 -10.536 0.610 1.00 0.00 C ATOM 577 C HIS A 36 -5.675 -9.935 1.181 1.00 0.00 C ATOM 578 O HIS A 36 -6.781 -10.285 0.766 1.00 0.00 O ATOM 579 CB HIS A 36 -4.709 -11.371 -0.634 1.00 0.00 C ATOM 580 CG HIS A 36 -5.282 -12.721 -0.325 1.00 0.00 C ATOM 581 ND1 HIS A 36 -4.505 -13.730 0.188 1.00 0.00 N ATOM 582 CD2 HIS A 36 -6.550 -13.173 -0.476 1.00 0.00 C ATOM 583 CE1 HIS A 36 -5.309 -14.767 0.338 1.00 0.00 C ATOM 584 NE2 HIS A 36 -6.560 -14.477 -0.052 1.00 0.00 N ATOM 0 H HIS A 36 -3.893 -12.350 1.534 1.00 0.00 H new ATOM 0 HA HIS A 36 -3.727 -9.721 0.325 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -5.413 -10.822 -1.260 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.797 -11.498 -1.217 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.392 -12.614 -0.857 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.999 -15.726 0.725 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.363 -15.105 -0.036 1.00 0.00 H new ATOM 592 N LEU A 37 -5.513 -9.030 2.139 1.00 0.00 N ATOM 593 CA LEU A 37 -6.647 -8.374 2.780 1.00 0.00 C ATOM 594 C LEU A 37 -7.205 -7.261 1.899 1.00 0.00 C ATOM 595 O LEU A 37 -8.194 -6.627 2.262 1.00 0.00 O ATOM 596 CB LEU A 37 -6.233 -7.809 4.143 1.00 0.00 C ATOM 597 CG LEU A 37 -5.158 -8.612 4.881 1.00 0.00 C ATOM 598 CD1 LEU A 37 -4.824 -7.956 6.211 1.00 0.00 C ATOM 599 CD2 LEU A 37 -5.613 -10.048 5.097 1.00 0.00 C ATOM 0 H LEU A 37 -4.603 -8.732 2.491 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.430 -9.118 2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.871 -6.791 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.118 -7.747 4.777 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.259 -8.626 4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.058 -8.540 6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.454 -6.946 6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.720 -7.911 6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.835 -10.601 5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.527 -10.055 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.804 -10.518 4.132 1.00 0.00 H new ATOM 611 N ASN A 38 -6.540 -7.043 0.752 1.00 0.00 N ATOM 612 CA ASN A 38 -6.905 -6.013 -0.239 1.00 0.00 C ATOM 613 C ASN A 38 -5.926 -4.844 -0.184 1.00 0.00 C ATOM 614 O ASN A 38 -5.039 -4.804 0.668 1.00 0.00 O ATOM 615 CB ASN A 38 -8.344 -5.505 -0.066 1.00 0.00 C ATOM 616 CG ASN A 38 -8.420 -4.213 0.730 1.00 0.00 C ATOM 617 OD1 ASN A 38 -7.846 -4.101 1.813 1.00 0.00 O ATOM 618 ND2 ASN A 38 -9.135 -3.230 0.195 1.00 0.00 N ATOM 0 H ASN A 38 -5.720 -7.586 0.482 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.848 -6.489 -1.218 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.790 -5.348 -1.048 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.937 -6.270 0.435 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.224 -2.340 0.685 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.595 -3.365 -0.705 1.00 0.00 H new ATOM 625 N SER A 39 -6.090 -3.898 -1.104 1.00 0.00 N ATOM 626 CA SER A 39 -5.218 -2.731 -1.166 1.00 0.00 C ATOM 627 C SER A 39 -5.579 -1.716 -0.088 1.00 0.00 C ATOM 628 O SER A 39 -6.638 -1.090 -0.139 1.00 0.00 O ATOM 629 CB SER A 39 -5.303 -2.076 -2.545 1.00 0.00 C ATOM 630 OG SER A 39 -5.069 -3.023 -3.573 1.00 0.00 O ATOM 0 H SER A 39 -6.819 -3.917 -1.817 1.00 0.00 H new ATOM 0 HA SER A 39 -4.196 -3.068 -0.992 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.287 -1.626 -2.678 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.572 -1.271 -2.615 1.00 0.00 H new ATOM 0 HG SER A 39 -5.130 -2.581 -4.445 1.00 0.00 H new ATOM 636 N TYR A 40 -4.685 -1.553 0.883 1.00 0.00 N ATOM 637 CA TYR A 40 -4.900 -0.608 1.972 1.00 0.00 C ATOM 638 C TYR A 40 -4.175 0.704 1.690 1.00 0.00 C ATOM 639 O TYR A 40 -2.949 0.736 1.582 1.00 0.00 O ATOM 640 CB TYR A 40 -4.418 -1.205 3.297 1.00 0.00 C ATOM 641 CG TYR A 40 -4.746 -0.354 4.505 1.00 0.00 C ATOM 642 CD1 TYR A 40 -3.949 0.730 4.855 1.00 0.00 C ATOM 643 CD2 TYR A 40 -5.854 -0.634 5.296 1.00 0.00 C ATOM 644 CE1 TYR A 40 -4.246 1.510 5.954 1.00 0.00 C ATOM 645 CE2 TYR A 40 -6.158 0.142 6.399 1.00 0.00 C ATOM 646 CZ TYR A 40 -5.351 1.213 6.724 1.00 0.00 C ATOM 647 OH TYR A 40 -5.651 1.988 7.820 1.00 0.00 O ATOM 0 H TYR A 40 -3.804 -2.064 0.937 1.00 0.00 H new ATOM 0 HA TYR A 40 -5.968 -0.405 2.048 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.866 -2.190 3.425 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.339 -1.350 3.248 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.082 0.966 4.256 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.488 -1.472 5.045 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.616 2.349 6.210 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.023 -0.089 7.003 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.461 1.644 8.252 1.00 0.00 H new ATOM 657 N THR A 41 -4.941 1.783 1.567 1.00 0.00 N ATOM 658 CA THR A 41 -4.370 3.096 1.293 1.00 0.00 C ATOM 659 C THR A 41 -4.853 4.131 2.304 1.00 0.00 C ATOM 660 O THR A 41 -6.012 4.115 2.721 1.00 0.00 O ATOM 661 CB THR A 41 -4.720 3.577 -0.128 1.00 0.00 C ATOM 662 OG1 THR A 41 -4.157 4.873 -0.360 1.00 0.00 O ATOM 663 CG2 THR A 41 -6.227 3.630 -0.331 1.00 0.00 C ATOM 0 H THR A 41 -5.957 1.774 1.653 1.00 0.00 H new ATOM 0 HA THR A 41 -3.288 2.992 1.376 1.00 0.00 H new ATOM 0 HB THR A 41 -4.300 2.865 -0.839 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.383 5.170 -1.266 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.446 3.973 -1.342 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.649 2.636 -0.185 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.667 4.320 0.389 1.00 0.00 H new ATOM 671 N ILE A 42 -3.956 5.033 2.691 1.00 0.00 N ATOM 672 CA ILE A 42 -4.286 6.080 3.650 1.00 0.00 C ATOM 673 C ILE A 42 -4.743 7.349 2.934 1.00 0.00 C ATOM 674 O ILE A 42 -3.976 7.963 2.191 1.00 0.00 O ATOM 675 CB ILE A 42 -3.077 6.408 4.557 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.854 5.285 5.571 1.00 0.00 C ATOM 677 CG2 ILE A 42 -3.281 7.737 5.274 1.00 0.00 C ATOM 678 CD1 ILE A 42 -1.513 4.598 5.432 1.00 0.00 C ATOM 0 H ILE A 42 -2.994 5.059 2.354 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.100 5.707 4.271 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.191 6.493 3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.940 5.694 6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.645 4.544 5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.418 7.946 5.906 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.394 8.534 4.539 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.178 7.684 5.891 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.426 3.814 6.184 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.431 4.159 4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.715 5.326 5.574 1.00 0.00 H new ATOM 690 N LYS A 43 -5.996 7.736 3.160 1.00 0.00 N ATOM 691 CA LYS A 43 -6.551 8.934 2.535 1.00 0.00 C ATOM 692 C LYS A 43 -6.986 9.948 3.589 1.00 0.00 C ATOM 693 O LYS A 43 -8.046 10.563 3.475 1.00 0.00 O ATOM 694 CB LYS A 43 -7.741 8.571 1.643 1.00 0.00 C ATOM 695 CG LYS A 43 -7.483 7.380 0.733 1.00 0.00 C ATOM 696 CD LYS A 43 -8.644 7.147 -0.221 1.00 0.00 C ATOM 697 CE LYS A 43 -9.824 6.494 0.482 1.00 0.00 C ATOM 698 NZ LYS A 43 -9.540 5.078 0.845 1.00 0.00 N ATOM 0 H LYS A 43 -6.645 7.239 3.770 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.770 9.383 1.922 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.604 8.355 2.273 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.002 9.435 1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.570 7.548 0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.322 6.487 1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.957 8.098 -0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.316 6.515 -1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.067 7.058 1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.700 6.534 -0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.432 4.591 1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.076 4.601 0.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.914 5.051 1.675 1.00 0.00 H new ATOM 712 N GLY A 44 -6.158 10.119 4.616 1.00 0.00 N ATOM 713 CA GLY A 44 -6.473 11.060 5.674 1.00 0.00 C ATOM 714 C GLY A 44 -5.723 12.369 5.528 1.00 0.00 C ATOM 715 O GLY A 44 -5.723 13.197 6.439 1.00 0.00 O ATOM 0 H GLY A 44 -5.275 9.622 4.733 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.545 11.257 5.673 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.232 10.612 6.638 1.00 0.00 H new ATOM 719 N LEU A 45 -5.078 12.554 4.380 1.00 0.00 N ATOM 720 CA LEU A 45 -4.316 13.768 4.117 1.00 0.00 C ATOM 721 C LEU A 45 -5.230 14.888 3.617 1.00 0.00 C ATOM 722 O LEU A 45 -6.382 14.645 3.260 1.00 0.00 O ATOM 723 CB LEU A 45 -3.202 13.481 3.101 1.00 0.00 C ATOM 724 CG LEU A 45 -2.155 12.443 3.533 1.00 0.00 C ATOM 725 CD1 LEU A 45 -2.037 12.365 5.050 1.00 0.00 C ATOM 726 CD2 LEU A 45 -2.497 11.082 2.952 1.00 0.00 C ATOM 0 H LEU A 45 -5.069 11.877 3.617 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.861 14.100 5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.661 13.141 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.689 14.417 2.879 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.187 12.760 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.287 11.621 5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.740 13.338 5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.999 12.081 5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.748 10.354 3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.478 10.770 3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.510 11.144 1.864 1.00 0.00 H new ATOM 738 N LYS A 46 -4.717 16.120 3.610 1.00 0.00 N ATOM 739 CA LYS A 46 -5.500 17.277 3.171 1.00 0.00 C ATOM 740 C LYS A 46 -5.271 17.589 1.691 1.00 0.00 C ATOM 741 O LYS A 46 -4.136 17.600 1.222 1.00 0.00 O ATOM 742 CB LYS A 46 -5.155 18.503 4.021 1.00 0.00 C ATOM 743 CG LYS A 46 -3.676 18.859 4.003 1.00 0.00 C ATOM 744 CD LYS A 46 -3.426 20.185 3.303 1.00 0.00 C ATOM 745 CE LYS A 46 -4.041 21.350 4.064 1.00 0.00 C ATOM 746 NZ LYS A 46 -5.304 21.823 3.433 1.00 0.00 N ATOM 0 H LYS A 46 -3.765 16.342 3.902 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.553 17.029 3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.730 19.357 3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.464 18.320 5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.302 18.911 5.025 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.118 18.070 3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.353 20.345 3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.842 20.149 2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.240 21.047 5.092 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.327 22.172 4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.190 22.810 3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.525 21.228 2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.080 21.762 4.122 1.00 0.00 H new ATOM 760 N PRO A 47 -6.360 17.851 0.939 1.00 0.00 N ATOM 761 CA PRO A 47 -6.299 18.163 -0.496 1.00 0.00 C ATOM 762 C PRO A 47 -5.120 19.047 -0.891 1.00 0.00 C ATOM 763 O PRO A 47 -4.966 20.158 -0.384 1.00 0.00 O ATOM 764 CB PRO A 47 -7.612 18.903 -0.728 1.00 0.00 C ATOM 765 CG PRO A 47 -8.565 18.280 0.231 1.00 0.00 C ATOM 766 CD PRO A 47 -7.754 17.863 1.434 1.00 0.00 C ATOM 0 HA PRO A 47 -6.162 17.262 -1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.504 19.972 -0.542 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.954 18.791 -1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.346 18.986 0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.061 17.420 -0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.878 18.562 2.261 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.057 16.881 1.799 1.00 0.00 H new ATOM 774 N GLY A 48 -4.303 18.555 -1.826 1.00 0.00 N ATOM 775 CA GLY A 48 -3.168 19.327 -2.301 1.00 0.00 C ATOM 776 C GLY A 48 -1.817 18.713 -1.971 1.00 0.00 C ATOM 777 O GLY A 48 -0.784 19.341 -2.202 1.00 0.00 O ATOM 0 H GLY A 48 -4.409 17.638 -2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.248 19.443 -3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.216 20.327 -1.869 1.00 0.00 H new ATOM 781 N VAL A 49 -1.809 17.497 -1.432 1.00 0.00 N ATOM 782 CA VAL A 49 -0.547 16.845 -1.086 1.00 0.00 C ATOM 783 C VAL A 49 -0.369 15.513 -1.803 1.00 0.00 C ATOM 784 O VAL A 49 -1.289 14.699 -1.868 1.00 0.00 O ATOM 785 CB VAL A 49 -0.415 16.600 0.428 1.00 0.00 C ATOM 786 CG1 VAL A 49 1.050 16.509 0.820 1.00 0.00 C ATOM 787 CG2 VAL A 49 -1.124 17.689 1.221 1.00 0.00 C ATOM 0 H VAL A 49 -2.645 16.950 -1.228 1.00 0.00 H new ATOM 0 HA VAL A 49 0.230 17.537 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.896 15.651 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.129 16.336 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.520 15.685 0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.553 17.441 0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.015 17.492 2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.683 18.657 0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.182 17.699 0.960 1.00 0.00 H new ATOM 797 N VAL A 50 0.838 15.281 -2.310 1.00 0.00 N ATOM 798 CA VAL A 50 1.149 14.031 -2.984 1.00 0.00 C ATOM 799 C VAL A 50 2.208 13.264 -2.198 1.00 0.00 C ATOM 800 O VAL A 50 3.226 13.826 -1.790 1.00 0.00 O ATOM 801 CB VAL A 50 1.633 14.248 -4.444 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.098 13.880 -4.608 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.787 13.436 -5.412 1.00 0.00 C ATOM 0 H VAL A 50 1.613 15.942 -2.266 1.00 0.00 H new ATOM 0 HA VAL A 50 0.226 13.452 -3.029 1.00 0.00 H new ATOM 0 HB VAL A 50 1.522 15.308 -4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.401 14.045 -5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.705 14.501 -3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.240 12.830 -4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.140 13.600 -6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.868 12.377 -5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.255 13.748 -5.335 1.00 0.00 H new ATOM 813 N TYR A 51 1.967 11.979 -2.002 1.00 0.00 N ATOM 814 CA TYR A 51 2.903 11.128 -1.289 1.00 0.00 C ATOM 815 C TYR A 51 3.422 10.066 -2.241 1.00 0.00 C ATOM 816 O TYR A 51 3.111 10.087 -3.433 1.00 0.00 O ATOM 817 CB TYR A 51 2.230 10.466 -0.073 1.00 0.00 C ATOM 818 CG TYR A 51 2.037 11.397 1.102 1.00 0.00 C ATOM 819 CD1 TYR A 51 1.110 12.431 1.053 1.00 0.00 C ATOM 820 CD2 TYR A 51 2.782 11.240 2.261 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.933 13.281 2.128 1.00 0.00 C ATOM 822 CE2 TYR A 51 2.612 12.083 3.339 1.00 0.00 C ATOM 823 CZ TYR A 51 1.687 13.103 3.269 1.00 0.00 C ATOM 824 OH TYR A 51 1.516 13.947 4.342 1.00 0.00 O ATOM 0 H TYR A 51 1.127 11.501 -2.328 1.00 0.00 H new ATOM 0 HA TYR A 51 3.730 11.736 -0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.259 10.073 -0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.833 9.615 0.245 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.518 12.573 0.161 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.509 10.443 2.320 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.208 14.080 2.075 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.201 11.945 4.234 1.00 0.00 H new ATOM 0 HH TYR A 51 2.123 13.684 5.065 1.00 0.00 H new ATOM 834 N GLU A 52 4.178 9.122 -1.719 1.00 0.00 N ATOM 835 CA GLU A 52 4.694 8.037 -2.539 1.00 0.00 C ATOM 836 C GLU A 52 4.308 6.714 -1.905 1.00 0.00 C ATOM 837 O GLU A 52 4.521 6.515 -0.714 1.00 0.00 O ATOM 838 CB GLU A 52 6.214 8.133 -2.676 1.00 0.00 C ATOM 839 CG GLU A 52 6.763 7.400 -3.890 1.00 0.00 C ATOM 840 CD GLU A 52 6.733 5.893 -3.726 1.00 0.00 C ATOM 841 OE1 GLU A 52 7.027 5.410 -2.612 1.00 0.00 O ATOM 842 OE2 GLU A 52 6.413 5.195 -4.711 1.00 0.00 O ATOM 0 H GLU A 52 4.450 9.081 -0.737 1.00 0.00 H new ATOM 0 HA GLU A 52 4.263 8.108 -3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.499 9.183 -2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.678 7.728 -1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.183 7.677 -4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.789 7.721 -4.070 1.00 0.00 H new ATOM 849 N GLY A 53 3.728 5.822 -2.694 1.00 0.00 N ATOM 850 CA GLY A 53 3.312 4.543 -2.161 1.00 0.00 C ATOM 851 C GLY A 53 4.056 3.376 -2.771 1.00 0.00 C ATOM 852 O GLY A 53 3.973 3.132 -3.974 1.00 0.00 O ATOM 0 H GLY A 53 3.539 5.960 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.464 4.539 -1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.243 4.415 -2.333 1.00 0.00 H new ATOM 856 N GLN A 54 4.773 2.646 -1.930 1.00 0.00 N ATOM 857 CA GLN A 54 5.524 1.481 -2.372 1.00 0.00 C ATOM 858 C GLN A 54 5.259 0.311 -1.435 1.00 0.00 C ATOM 859 O GLN A 54 5.621 0.351 -0.261 1.00 0.00 O ATOM 860 CB GLN A 54 7.021 1.792 -2.417 1.00 0.00 C ATOM 861 CG GLN A 54 7.853 0.676 -3.023 1.00 0.00 C ATOM 862 CD GLN A 54 9.302 1.072 -3.231 1.00 0.00 C ATOM 863 OE1 GLN A 54 9.607 1.962 -4.023 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.205 0.409 -2.517 1.00 0.00 N ATOM 0 H GLN A 54 4.851 2.842 -0.932 1.00 0.00 H new ATOM 0 HA GLN A 54 5.198 1.215 -3.378 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.177 2.705 -2.992 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.374 1.989 -1.405 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.809 -0.198 -2.373 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.420 0.384 -3.980 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.908 -0.322 -1.871 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.196 0.631 -2.615 1.00 0.00 H new ATOM 873 N LEU A 55 4.611 -0.723 -1.958 1.00 0.00 N ATOM 874 CA LEU A 55 4.284 -1.893 -1.158 1.00 0.00 C ATOM 875 C LEU A 55 5.218 -3.058 -1.464 1.00 0.00 C ATOM 876 O LEU A 55 5.107 -3.703 -2.507 1.00 0.00 O ATOM 877 CB LEU A 55 2.831 -2.305 -1.409 1.00 0.00 C ATOM 878 CG LEU A 55 2.393 -3.609 -0.742 1.00 0.00 C ATOM 879 CD1 LEU A 55 2.191 -3.406 0.752 1.00 0.00 C ATOM 880 CD2 LEU A 55 1.117 -4.131 -1.386 1.00 0.00 C ATOM 0 H LEU A 55 4.303 -0.774 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 55 4.412 -1.630 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.179 -1.503 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.678 -2.398 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 55 3.181 -4.349 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.879 -4.346 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.126 -3.076 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.422 -2.651 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.818 -5.060 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.324 -3.391 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.294 -4.316 -2.446 1.00 0.00 H new ATOM 892 N ILE A 56 6.121 -3.333 -0.530 1.00 0.00 N ATOM 893 CA ILE A 56 7.064 -4.432 -0.670 1.00 0.00 C ATOM 894 C ILE A 56 6.584 -5.621 0.142 1.00 0.00 C ATOM 895 O ILE A 56 6.101 -5.460 1.259 1.00 0.00 O ATOM 896 CB ILE A 56 8.476 -4.045 -0.200 1.00 0.00 C ATOM 897 CG1 ILE A 56 8.957 -2.790 -0.929 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.446 -5.197 -0.423 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.575 -1.503 -0.234 1.00 0.00 C ATOM 0 H ILE A 56 6.219 -2.805 0.337 1.00 0.00 H new ATOM 0 HA ILE A 56 7.116 -4.685 -1.729 1.00 0.00 H new ATOM 0 HB ILE A 56 8.438 -3.829 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.042 -2.831 -1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.544 -2.785 -1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.440 -4.906 -0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.112 -6.068 0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.481 -5.443 -1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.949 -0.655 -0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.490 -1.439 -0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.011 -1.486 0.765 1.00 0.00 H new ATOM 911 N SER A 57 6.710 -6.808 -0.420 1.00 0.00 N ATOM 912 CA SER A 57 6.274 -8.011 0.262 1.00 0.00 C ATOM 913 C SER A 57 7.424 -8.663 0.999 1.00 0.00 C ATOM 914 O SER A 57 8.586 -8.538 0.612 1.00 0.00 O ATOM 915 CB SER A 57 5.653 -8.995 -0.716 1.00 0.00 C ATOM 916 OG SER A 57 4.767 -8.339 -1.600 1.00 0.00 O ATOM 0 H SER A 57 7.110 -6.965 -1.345 1.00 0.00 H new ATOM 0 HA SER A 57 5.516 -7.722 0.990 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.438 -9.492 -1.285 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.118 -9.770 -0.167 1.00 0.00 H new ATOM 0 HG SER A 57 3.845 -8.470 -1.296 1.00 0.00 H new ATOM 922 N ILE A 58 7.085 -9.349 2.072 1.00 0.00 N ATOM 923 CA ILE A 58 8.084 -10.021 2.890 1.00 0.00 C ATOM 924 C ILE A 58 7.910 -11.534 2.897 1.00 0.00 C ATOM 925 O ILE A 58 6.811 -12.045 3.130 1.00 0.00 O ATOM 926 CB ILE A 58 8.071 -9.507 4.343 1.00 0.00 C ATOM 927 CG1 ILE A 58 8.667 -8.099 4.411 1.00 0.00 C ATOM 928 CG2 ILE A 58 8.839 -10.465 5.247 1.00 0.00 C ATOM 929 CD1 ILE A 58 8.773 -7.543 5.817 1.00 0.00 C ATOM 0 H ILE A 58 6.126 -9.458 2.401 1.00 0.00 H new ATOM 0 HA ILE A 58 9.045 -9.786 2.432 1.00 0.00 H new ATOM 0 HB ILE A 58 7.040 -9.459 4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.660 -8.113 3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.054 -7.427 3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.823 -10.091 6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.373 -11.450 5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.871 -10.540 4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.204 -6.543 5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.780 -7.494 6.265 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.411 -8.192 6.418 1.00 0.00 H new ATOM 941 N GLN A 59 9.017 -12.236 2.674 1.00 0.00 N ATOM 942 CA GLN A 59 9.025 -13.687 2.681 1.00 0.00 C ATOM 943 C GLN A 59 9.947 -14.206 3.766 1.00 0.00 C ATOM 944 O GLN A 59 10.544 -13.432 4.513 1.00 0.00 O ATOM 945 CB GLN A 59 9.499 -14.237 1.355 1.00 0.00 C ATOM 946 CG GLN A 59 10.217 -13.220 0.520 1.00 0.00 C ATOM 947 CD GLN A 59 10.787 -13.819 -0.752 1.00 0.00 C ATOM 948 OE1 GLN A 59 11.906 -13.510 -1.152 1.00 0.00 O ATOM 949 NE2 GLN A 59 10.025 -14.703 -1.381 1.00 0.00 N ATOM 0 H GLN A 59 9.926 -11.814 2.485 1.00 0.00 H new ATOM 0 HA GLN A 59 8.002 -14.015 2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.162 -15.084 1.535 1.00 0.00 H new ATOM 0 HB3 GLN A 59 8.642 -14.616 0.798 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.530 -12.413 0.263 1.00 0.00 H new ATOM 0 HG3 GLN A 59 11.024 -12.778 1.104 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.101 -14.932 -1.015 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.363 -15.155 -2.231 1.00 0.00 H new ATOM 958 N GLN A 60 10.093 -15.521 3.819 1.00 0.00 N ATOM 959 CA GLN A 60 10.985 -16.140 4.780 1.00 0.00 C ATOM 960 C GLN A 60 12.423 -15.939 4.317 1.00 0.00 C ATOM 961 O GLN A 60 13.364 -16.021 5.105 1.00 0.00 O ATOM 962 CB GLN A 60 10.674 -17.632 4.913 1.00 0.00 C ATOM 963 CG GLN A 60 10.351 -18.309 3.590 1.00 0.00 C ATOM 964 CD GLN A 60 9.030 -19.054 3.622 1.00 0.00 C ATOM 965 OE1 GLN A 60 8.721 -19.749 4.589 1.00 0.00 O ATOM 966 NE2 GLN A 60 8.244 -18.910 2.562 1.00 0.00 N ATOM 0 H GLN A 60 9.605 -16.177 3.208 1.00 0.00 H new ATOM 0 HA GLN A 60 10.846 -15.677 5.757 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.528 -18.133 5.368 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.831 -17.759 5.592 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.321 -17.559 2.800 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.151 -19.006 3.338 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.541 -18.323 1.783 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.343 -19.386 2.527 1.00 0.00 H new ATOM 975 N TYR A 61 12.569 -15.670 3.020 1.00 0.00 N ATOM 976 CA TYR A 61 13.877 -15.446 2.413 1.00 0.00 C ATOM 977 C TYR A 61 14.117 -13.957 2.131 1.00 0.00 C ATOM 978 O TYR A 61 15.210 -13.567 1.723 1.00 0.00 O ATOM 979 CB TYR A 61 14.018 -16.253 1.111 1.00 0.00 C ATOM 980 CG TYR A 61 12.844 -17.167 0.805 1.00 0.00 C ATOM 981 CD1 TYR A 61 11.612 -16.647 0.427 1.00 0.00 C ATOM 982 CD2 TYR A 61 12.971 -18.549 0.888 1.00 0.00 C ATOM 983 CE1 TYR A 61 10.539 -17.471 0.142 1.00 0.00 C ATOM 984 CE2 TYR A 61 11.904 -19.382 0.601 1.00 0.00 C ATOM 985 CZ TYR A 61 10.691 -18.839 0.231 1.00 0.00 C ATOM 986 OH TYR A 61 9.629 -19.667 -0.055 1.00 0.00 O ATOM 0 H TYR A 61 11.789 -15.602 2.366 1.00 0.00 H new ATOM 0 HA TYR A 61 14.629 -15.785 3.125 1.00 0.00 H new ATOM 0 HB2 TYR A 61 14.148 -15.559 0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.925 -16.855 1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 61 11.490 -15.576 0.354 1.00 0.00 H new ATOM 0 HD2 TYR A 61 13.917 -18.979 1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.589 -17.047 -0.148 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.020 -20.454 0.666 1.00 0.00 H new ATOM 0 HH TYR A 61 9.904 -20.601 0.055 1.00 0.00 H new ATOM 996 N GLY A 62 13.094 -13.131 2.358 1.00 0.00 N ATOM 997 CA GLY A 62 13.224 -11.694 2.127 1.00 0.00 C ATOM 998 C GLY A 62 13.099 -11.309 0.659 1.00 0.00 C ATOM 999 O GLY A 62 13.632 -11.996 -0.212 1.00 0.00 O ATOM 0 H GLY A 62 12.179 -13.428 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.459 -11.170 2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.190 -11.358 2.503 1.00 0.00 H new ATOM 1003 N HIS A 63 12.395 -10.200 0.393 1.00 0.00 N ATOM 1004 CA HIS A 63 12.190 -9.703 -0.975 1.00 0.00 C ATOM 1005 C HIS A 63 11.251 -10.622 -1.754 1.00 0.00 C ATOM 1006 O HIS A 63 11.697 -11.486 -2.509 1.00 0.00 O ATOM 1007 CB HIS A 63 13.532 -9.570 -1.706 1.00 0.00 C ATOM 1008 CG HIS A 63 13.433 -8.878 -3.030 1.00 0.00 C ATOM 1009 ND1 HIS A 63 13.566 -7.516 -3.137 1.00 0.00 N ATOM 1010 CD2 HIS A 63 13.224 -9.400 -4.263 1.00 0.00 C ATOM 1011 CE1 HIS A 63 13.437 -7.239 -4.422 1.00 0.00 C ATOM 1012 NE2 HIS A 63 13.228 -8.349 -5.145 1.00 0.00 N ATOM 0 H HIS A 63 11.955 -9.627 1.113 1.00 0.00 H new ATOM 0 HA HIS A 63 11.728 -8.718 -0.911 1.00 0.00 H new ATOM 0 HB2 HIS A 63 14.228 -9.022 -1.071 1.00 0.00 H new ATOM 0 HB3 HIS A 63 13.953 -10.564 -1.857 1.00 0.00 H new ATOM 0 HD2 HIS A 63 13.082 -10.443 -4.505 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.493 -6.244 -4.838 1.00 0.00 H new ATOM 0 HE2 HIS A 63 13.097 -8.402 -6.155 1.00 0.00 H new ATOM 1020 N GLN A 64 9.946 -10.443 -1.548 1.00 0.00 N ATOM 1021 CA GLN A 64 8.942 -11.277 -2.209 1.00 0.00 C ATOM 1022 C GLN A 64 8.282 -10.591 -3.403 1.00 0.00 C ATOM 1023 O GLN A 64 8.434 -11.029 -4.543 1.00 0.00 O ATOM 1024 CB GLN A 64 7.857 -11.676 -1.205 1.00 0.00 C ATOM 1025 CG GLN A 64 7.089 -12.932 -1.590 1.00 0.00 C ATOM 1026 CD GLN A 64 6.926 -13.891 -0.426 1.00 0.00 C ATOM 1027 OE1 GLN A 64 6.402 -13.523 0.626 1.00 0.00 O ATOM 1028 NE2 GLN A 64 7.376 -15.128 -0.607 1.00 0.00 N ATOM 0 H GLN A 64 9.560 -9.729 -0.930 1.00 0.00 H new ATOM 0 HA GLN A 64 9.468 -12.154 -2.586 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.318 -11.829 -0.229 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.153 -10.850 -1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.105 -12.652 -1.967 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.609 -13.438 -2.403 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.804 -15.390 -1.495 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.294 -15.815 0.142 1.00 0.00 H new ATOM 1037 N GLU A 65 7.502 -9.550 -3.129 1.00 0.00 N ATOM 1038 CA GLU A 65 6.765 -8.850 -4.177 1.00 0.00 C ATOM 1039 C GLU A 65 6.755 -7.337 -3.970 1.00 0.00 C ATOM 1040 O GLU A 65 6.375 -6.854 -2.912 1.00 0.00 O ATOM 1041 CB GLU A 65 5.329 -9.364 -4.177 1.00 0.00 C ATOM 1042 CG GLU A 65 4.732 -9.524 -5.566 1.00 0.00 C ATOM 1043 CD GLU A 65 5.248 -10.755 -6.284 1.00 0.00 C ATOM 1044 OE1 GLU A 65 5.683 -11.705 -5.600 1.00 0.00 O ATOM 1045 OE2 GLU A 65 5.215 -10.770 -7.533 1.00 0.00 O ATOM 0 H GLU A 65 7.364 -9.172 -2.192 1.00 0.00 H new ATOM 0 HA GLU A 65 7.259 -9.044 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.298 -10.326 -3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.708 -8.677 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.647 -9.583 -5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.961 -8.639 -6.160 1.00 0.00 H new ATOM 1052 N VAL A 66 7.147 -6.587 -4.994 1.00 0.00 N ATOM 1053 CA VAL A 66 7.155 -5.132 -4.897 1.00 0.00 C ATOM 1054 C VAL A 66 6.178 -4.492 -5.878 1.00 0.00 C ATOM 1055 O VAL A 66 6.077 -4.904 -7.034 1.00 0.00 O ATOM 1056 CB VAL A 66 8.556 -4.547 -5.137 1.00 0.00 C ATOM 1057 CG1 VAL A 66 8.600 -3.097 -4.684 1.00 0.00 C ATOM 1058 CG2 VAL A 66 9.613 -5.371 -4.419 1.00 0.00 C ATOM 0 H VAL A 66 7.460 -6.957 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 66 6.843 -4.900 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 66 8.772 -4.583 -6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.597 -2.691 -4.858 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.869 -2.517 -5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.366 -3.041 -3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.597 -4.940 -4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.410 -5.370 -3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.591 -6.395 -4.791 1.00 0.00 H new ATOM 1068 N THR A 67 5.468 -3.472 -5.403 1.00 0.00 N ATOM 1069 CA THR A 67 4.500 -2.750 -6.224 1.00 0.00 C ATOM 1070 C THR A 67 4.609 -1.247 -5.978 1.00 0.00 C ATOM 1071 O THR A 67 4.689 -0.805 -4.832 1.00 0.00 O ATOM 1072 CB THR A 67 3.059 -3.209 -5.933 1.00 0.00 C ATOM 1073 OG1 THR A 67 3.066 -4.273 -4.975 1.00 0.00 O ATOM 1074 CG2 THR A 67 2.374 -3.676 -7.209 1.00 0.00 C ATOM 0 H THR A 67 5.546 -3.125 -4.447 1.00 0.00 H new ATOM 0 HA THR A 67 4.730 -2.969 -7.267 1.00 0.00 H new ATOM 0 HB THR A 67 2.506 -2.361 -5.529 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.146 -4.557 -4.795 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.357 -3.996 -6.980 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.344 -2.856 -7.927 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.930 -4.511 -7.636 1.00 0.00 H new ATOM 1082 N ARG A 68 4.621 -0.463 -7.053 1.00 0.00 N ATOM 1083 CA ARG A 68 4.734 0.989 -6.932 1.00 0.00 C ATOM 1084 C ARG A 68 3.446 1.692 -7.350 1.00 0.00 C ATOM 1085 O ARG A 68 2.765 1.266 -8.284 1.00 0.00 O ATOM 1086 CB ARG A 68 5.901 1.501 -7.776 1.00 0.00 C ATOM 1087 CG ARG A 68 7.201 0.754 -7.531 1.00 0.00 C ATOM 1088 CD ARG A 68 8.406 1.589 -7.930 1.00 0.00 C ATOM 1089 NE ARG A 68 8.304 2.075 -9.303 1.00 0.00 N ATOM 1090 CZ ARG A 68 8.951 1.531 -10.328 1.00 0.00 C ATOM 1091 NH1 ARG A 68 9.745 0.485 -10.137 1.00 0.00 N ATOM 1092 NH2 ARG A 68 8.803 2.030 -11.546 1.00 0.00 N ATOM 0 H ARG A 68 4.554 -0.805 -8.012 1.00 0.00 H new ATOM 0 HA ARG A 68 4.917 1.218 -5.882 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.639 1.421 -8.831 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.054 2.559 -7.565 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.275 0.486 -6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.199 -0.178 -8.097 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.500 2.437 -7.251 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.312 0.993 -7.823 1.00 0.00 H new ATOM 0 HE ARG A 68 7.702 2.878 -9.486 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.860 0.096 -9.201 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.240 0.070 -10.926 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.192 2.833 -11.698 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.300 1.612 -12.332 1.00 0.00 H new ATOM 1106 N PHE A 69 3.126 2.780 -6.652 1.00 0.00 N ATOM 1107 CA PHE A 69 1.927 3.563 -6.942 1.00 0.00 C ATOM 1108 C PHE A 69 2.078 4.998 -6.464 1.00 0.00 C ATOM 1109 O PHE A 69 2.928 5.301 -5.626 1.00 0.00 O ATOM 1110 CB PHE A 69 0.676 2.929 -6.323 1.00 0.00 C ATOM 1111 CG PHE A 69 0.938 2.079 -5.112 1.00 0.00 C ATOM 1112 CD1 PHE A 69 0.960 2.642 -3.847 1.00 0.00 C ATOM 1113 CD2 PHE A 69 1.150 0.716 -5.238 1.00 0.00 C ATOM 1114 CE1 PHE A 69 1.190 1.862 -2.730 1.00 0.00 C ATOM 1115 CE2 PHE A 69 1.382 -0.070 -4.126 1.00 0.00 C ATOM 1116 CZ PHE A 69 1.402 0.504 -2.869 1.00 0.00 C ATOM 0 H PHE A 69 3.684 3.140 -5.878 1.00 0.00 H new ATOM 0 HA PHE A 69 1.804 3.569 -8.025 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.020 3.722 -6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.182 2.318 -7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 69 0.795 3.703 -3.732 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.134 0.262 -6.218 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.204 2.314 -1.749 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.547 -1.131 -4.239 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.583 -0.108 -1.997 1.00 0.00 H new ATOM 1126 N ASP A 70 1.243 5.878 -7.006 1.00 0.00 N ATOM 1127 CA ASP A 70 1.275 7.282 -6.638 1.00 0.00 C ATOM 1128 C ASP A 70 0.307 7.521 -5.499 1.00 0.00 C ATOM 1129 O ASP A 70 -0.694 6.818 -5.353 1.00 0.00 O ATOM 1130 CB ASP A 70 0.919 8.175 -7.829 1.00 0.00 C ATOM 1131 CG ASP A 70 -0.405 7.792 -8.464 1.00 0.00 C ATOM 1132 OD1 ASP A 70 -0.473 6.712 -9.089 1.00 0.00 O ATOM 1133 OD2 ASP A 70 -1.372 8.571 -8.337 1.00 0.00 O ATOM 0 H ASP A 70 0.536 5.640 -7.702 1.00 0.00 H new ATOM 0 HA ASP A 70 2.286 7.537 -6.322 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.874 9.213 -7.500 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.709 8.111 -8.577 1.00 0.00 H new ATOM 1138 N PHE A 71 0.655 8.468 -4.656 1.00 0.00 N ATOM 1139 CA PHE A 71 -0.116 8.767 -3.477 1.00 0.00 C ATOM 1140 C PHE A 71 -0.625 10.204 -3.463 1.00 0.00 C ATOM 1141 O PHE A 71 0.071 11.126 -3.877 1.00 0.00 O ATOM 1142 CB PHE A 71 0.817 8.538 -2.317 1.00 0.00 C ATOM 1143 CG PHE A 71 0.221 7.838 -1.157 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -0.556 8.518 -0.245 1.00 0.00 C ATOM 1145 CD2 PHE A 71 0.477 6.502 -0.968 1.00 0.00 C ATOM 1146 CE1 PHE A 71 -1.073 7.867 0.853 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -0.040 5.837 0.120 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.815 6.525 1.036 1.00 0.00 C ATOM 0 H PHE A 71 1.483 9.052 -4.772 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.004 8.136 -3.434 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.673 7.962 -2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 71 1.198 9.503 -1.982 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.761 9.568 -0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.090 5.969 -1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.678 8.405 1.568 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.158 4.784 0.258 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.219 6.010 1.896 1.00 0.00 H new ATOM 1158 N THR A 72 -1.845 10.377 -2.965 1.00 0.00 N ATOM 1159 CA THR A 72 -2.466 11.688 -2.868 1.00 0.00 C ATOM 1160 C THR A 72 -3.422 11.741 -1.686 1.00 0.00 C ATOM 1161 O THR A 72 -3.762 10.713 -1.099 1.00 0.00 O ATOM 1162 CB THR A 72 -3.230 12.069 -4.146 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.275 10.956 -5.046 1.00 0.00 O ATOM 1164 CG2 THR A 72 -2.574 13.258 -4.831 1.00 0.00 C ATOM 0 H THR A 72 -2.427 9.614 -2.619 1.00 0.00 H new ATOM 0 HA THR A 72 -1.657 12.405 -2.728 1.00 0.00 H new ATOM 0 HB THR A 72 -4.247 12.345 -3.866 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.765 11.210 -5.856 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.131 13.511 -5.733 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.572 14.112 -4.154 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.548 13.004 -5.097 1.00 0.00 H new