USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 608 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 23 GLN : amide:sc= -0.674 K(o=-0.67,f=-1.2!) USER MOD Set 1.2: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 29 TYR OH : rot 40:sc= 0.152 USER MOD Set 2.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 73 HIS : no HE2:sc= -1.05 K(o=-0.89,f=-3.2) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 0.578 (180deg=-0.681) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.887 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -2.62! C(o=-2.6!,f=-3.4!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -148:sc= -4.42! USER MOD Single : A 42 MET CE :methyl -149:sc= 0 (180deg=-0.0619) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -4.47! USER MOD Single : A 48 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.1!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 50 SER OG : rot 124:sc= -0.996 USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00863) USER MOD Single : A 59 LYS NZ :NH3+ -156:sc= -0.0725 (180deg=-0.55) USER MOD Single : A 62 ASN : amide:sc=-0.00569 X(o=-0.0057,f=-0.45) USER MOD Single : A 63 CYS SG : rot 100:sc= -3.14! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -17:sc= 0.555 USER MOD Single : A 79 ASN : amide:sc= 0.281 K(o=0.28,f=-4.3!) USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= 0.00163 (180deg=0) USER MOD Single : A 85 CYS SG : rot 70:sc= -4.31! USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.707 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 8 -2.869 12.688 -9.672 1.00 0.00 N ATOM 152 CA GLU A 8 -2.317 11.432 -9.179 1.00 0.00 C ATOM 153 C GLU A 8 -0.801 11.523 -9.035 1.00 0.00 C ATOM 154 O GLU A 8 -0.098 10.516 -9.119 1.00 0.00 O ATOM 155 CB GLU A 8 -2.683 10.284 -10.121 1.00 0.00 C ATOM 156 CG GLU A 8 -4.170 10.193 -10.422 1.00 0.00 C ATOM 157 CD GLU A 8 -4.488 9.159 -11.485 1.00 0.00 C ATOM 158 OE1 GLU A 8 -4.014 8.011 -11.355 1.00 0.00 O ATOM 159 OE2 GLU A 8 -5.211 9.497 -12.445 1.00 0.00 O ATOM 0 HA GLU A 8 -2.747 11.237 -8.196 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.138 10.406 -11.057 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.352 9.344 -9.680 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.708 9.945 -9.507 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.531 11.168 -10.749 1.00 0.00 H new ATOM 166 N ILE A 9 -0.305 12.736 -8.818 1.00 0.00 N ATOM 167 CA ILE A 9 1.127 12.959 -8.662 1.00 0.00 C ATOM 168 C ILE A 9 1.646 12.318 -7.379 1.00 0.00 C ATOM 169 O ILE A 9 2.608 11.551 -7.401 1.00 0.00 O ATOM 170 CB ILE A 9 1.465 14.462 -8.645 1.00 0.00 C ATOM 171 CG1 ILE A 9 0.814 15.166 -9.837 1.00 0.00 C ATOM 172 CG2 ILE A 9 2.972 14.666 -8.660 1.00 0.00 C ATOM 173 CD1 ILE A 9 1.043 16.661 -9.854 1.00 0.00 C ATOM 0 H ILE A 9 -0.874 13.580 -8.746 1.00 0.00 H new ATOM 0 HA ILE A 9 1.614 12.496 -9.520 1.00 0.00 H new ATOM 0 HB ILE A 9 1.069 14.899 -7.728 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.204 14.736 -10.760 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.258 14.971 -9.823 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.195 15.733 -8.648 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.412 14.193 -7.782 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.391 14.218 -9.561 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.553 17.094 -10.726 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.628 17.103 -8.948 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.113 16.865 -9.900 1.00 0.00 H new ATOM 185 N GLY A 10 1.001 12.638 -6.261 1.00 0.00 N ATOM 186 CA GLY A 10 1.411 12.083 -4.984 1.00 0.00 C ATOM 187 C GLY A 10 0.718 10.772 -4.672 1.00 0.00 C ATOM 188 O GLY A 10 0.665 10.348 -3.517 1.00 0.00 O ATOM 0 H GLY A 10 0.203 13.271 -6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.490 11.928 -4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.195 12.801 -4.193 1.00 0.00 H new ATOM 192 N LYS A 11 0.182 10.128 -5.703 1.00 0.00 N ATOM 193 CA LYS A 11 -0.513 8.857 -5.535 1.00 0.00 C ATOM 194 C LYS A 11 0.375 7.691 -5.957 1.00 0.00 C ATOM 195 O LYS A 11 1.049 7.752 -6.986 1.00 0.00 O ATOM 196 CB LYS A 11 -1.807 8.848 -6.351 1.00 0.00 C ATOM 197 CG LYS A 11 -2.773 7.747 -5.948 1.00 0.00 C ATOM 198 CD LYS A 11 -4.085 7.851 -6.707 1.00 0.00 C ATOM 199 CE LYS A 11 -3.988 7.206 -8.081 1.00 0.00 C ATOM 200 NZ LYS A 11 -5.260 7.333 -8.844 1.00 0.00 N ATOM 0 H LYS A 11 0.216 10.466 -6.665 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.756 8.742 -4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.303 9.813 -6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.560 8.735 -7.407 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.318 6.775 -6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.966 7.805 -4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.877 7.370 -6.133 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.362 8.900 -6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.179 7.671 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.735 6.152 -7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.062 7.268 -9.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.908 6.568 -8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.700 8.252 -8.635 1.00 0.00 H new ATOM 214 N LEU A 12 0.371 6.630 -5.158 1.00 0.00 N ATOM 215 CA LEU A 12 1.175 5.449 -5.450 1.00 0.00 C ATOM 216 C LEU A 12 0.302 4.200 -5.525 1.00 0.00 C ATOM 217 O LEU A 12 -0.253 3.757 -4.520 1.00 0.00 O ATOM 218 CB LEU A 12 2.255 5.266 -4.382 1.00 0.00 C ATOM 219 CG LEU A 12 3.447 4.393 -4.775 1.00 0.00 C ATOM 220 CD1 LEU A 12 4.249 5.053 -5.886 1.00 0.00 C ATOM 221 CD2 LEU A 12 4.330 4.120 -3.566 1.00 0.00 C ATOM 0 H LEU A 12 -0.180 6.563 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 12 1.652 5.596 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.629 6.250 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.791 4.835 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 12 3.069 3.440 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.093 4.417 -6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.612 5.195 -6.759 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.617 6.020 -5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.173 3.497 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.700 5.064 -3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.750 3.603 -2.801 1.00 0.00 H new ATOM 233 N PHE A 13 0.186 3.637 -6.723 1.00 0.00 N ATOM 234 CA PHE A 13 -0.618 2.438 -6.930 1.00 0.00 C ATOM 235 C PHE A 13 0.222 1.179 -6.740 1.00 0.00 C ATOM 236 O PHE A 13 1.222 0.977 -7.430 1.00 0.00 O ATOM 237 CB PHE A 13 -1.235 2.447 -8.330 1.00 0.00 C ATOM 238 CG PHE A 13 -1.815 1.123 -8.738 1.00 0.00 C ATOM 239 CD1 PHE A 13 -0.996 0.105 -9.197 1.00 0.00 C ATOM 240 CD2 PHE A 13 -3.180 0.897 -8.661 1.00 0.00 C ATOM 241 CE1 PHE A 13 -1.528 -1.114 -9.574 1.00 0.00 C ATOM 242 CE2 PHE A 13 -3.718 -0.320 -9.036 1.00 0.00 C ATOM 243 CZ PHE A 13 -2.890 -1.327 -9.492 1.00 0.00 C ATOM 0 H PHE A 13 0.639 3.992 -7.565 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.417 2.435 -6.188 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.018 3.205 -8.369 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.473 2.739 -9.052 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.070 0.265 -9.261 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.831 1.681 -8.304 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.879 -1.899 -9.932 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.784 -0.483 -8.973 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.307 -2.279 -9.784 1.00 0.00 H new ATOM 253 N VAL A 14 -0.190 0.336 -5.799 1.00 0.00 N ATOM 254 CA VAL A 14 0.524 -0.904 -5.517 1.00 0.00 C ATOM 255 C VAL A 14 0.003 -2.046 -6.381 1.00 0.00 C ATOM 256 O VAL A 14 -1.182 -2.373 -6.347 1.00 0.00 O ATOM 257 CB VAL A 14 0.400 -1.299 -4.034 1.00 0.00 C ATOM 258 CG1 VAL A 14 1.224 -2.543 -3.741 1.00 0.00 C ATOM 259 CG2 VAL A 14 0.826 -0.145 -3.138 1.00 0.00 C ATOM 0 H VAL A 14 -1.015 0.489 -5.219 1.00 0.00 H new ATOM 0 HA VAL A 14 1.574 -0.725 -5.750 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.645 -1.527 -3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.124 -2.806 -2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.868 -3.369 -4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.272 -2.347 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.732 -0.442 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.863 0.116 -3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.188 0.718 -3.329 1.00 0.00 H new ATOM 269 N GLY A 15 0.898 -2.651 -7.156 1.00 0.00 N ATOM 270 CA GLY A 15 0.510 -3.752 -8.019 1.00 0.00 C ATOM 271 C GLY A 15 1.198 -5.050 -7.647 1.00 0.00 C ATOM 272 O GLY A 15 2.342 -5.287 -8.031 1.00 0.00 O ATOM 0 H GLY A 15 1.885 -2.398 -7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.570 -3.888 -7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.749 -3.501 -9.053 1.00 0.00 H new ATOM 276 N GLY A 16 0.498 -5.895 -6.895 1.00 0.00 N ATOM 277 CA GLY A 16 1.066 -7.166 -6.483 1.00 0.00 C ATOM 278 C GLY A 16 0.876 -7.432 -5.002 1.00 0.00 C ATOM 279 O GLY A 16 1.723 -8.057 -4.363 1.00 0.00 O ATOM 0 H GLY A 16 -0.451 -5.722 -6.564 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.604 -7.970 -7.056 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.130 -7.178 -6.718 1.00 0.00 H new ATOM 283 N LEU A 17 -0.236 -6.955 -4.455 1.00 0.00 N ATOM 284 CA LEU A 17 -0.534 -7.143 -3.039 1.00 0.00 C ATOM 285 C LEU A 17 -0.840 -8.607 -2.737 1.00 0.00 C ATOM 286 O LEU A 17 -0.870 -9.444 -3.639 1.00 0.00 O ATOM 287 CB LEU A 17 -1.717 -6.267 -2.626 1.00 0.00 C ATOM 288 CG LEU A 17 -1.524 -4.758 -2.785 1.00 0.00 C ATOM 289 CD1 LEU A 17 -2.845 -4.028 -2.602 1.00 0.00 C ATOM 290 CD2 LEU A 17 -0.487 -4.246 -1.796 1.00 0.00 C ATOM 0 H LEU A 17 -0.947 -6.435 -4.970 1.00 0.00 H new ATOM 0 HA LEU A 17 0.345 -6.849 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.586 -6.565 -3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.950 -6.475 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.162 -4.562 -3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.687 -2.956 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.558 -4.373 -3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.238 -4.231 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.363 -3.171 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.820 -4.455 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.465 -4.745 -1.976 1.00 0.00 H new ATOM 302 N ASP A 18 -1.069 -8.907 -1.464 1.00 0.00 N ATOM 303 CA ASP A 18 -1.377 -10.269 -1.043 1.00 0.00 C ATOM 304 C ASP A 18 -2.718 -10.324 -0.319 1.00 0.00 C ATOM 305 O ASP A 18 -3.090 -9.390 0.392 1.00 0.00 O ATOM 306 CB ASP A 18 -0.270 -10.807 -0.134 1.00 0.00 C ATOM 307 CG ASP A 18 -0.243 -12.322 -0.090 1.00 0.00 C ATOM 308 OD1 ASP A 18 -0.611 -12.952 -1.103 1.00 0.00 O ATOM 309 OD2 ASP A 18 0.148 -12.877 0.958 1.00 0.00 O ATOM 0 H ASP A 18 -1.047 -8.226 -0.705 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.440 -10.893 -1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.695 -10.439 -0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.412 -10.419 0.875 1.00 0.00 H new ATOM 314 N TRP A 19 -3.441 -11.422 -0.506 1.00 0.00 N ATOM 315 CA TRP A 19 -4.742 -11.598 0.128 1.00 0.00 C ATOM 316 C TRP A 19 -4.671 -11.271 1.616 1.00 0.00 C ATOM 317 O TRP A 19 -5.660 -10.849 2.216 1.00 0.00 O ATOM 318 CB TRP A 19 -5.239 -13.031 -0.069 1.00 0.00 C ATOM 319 CG TRP A 19 -4.460 -14.043 0.716 1.00 0.00 C ATOM 320 CD1 TRP A 19 -3.388 -14.769 0.280 1.00 0.00 C ATOM 321 CD2 TRP A 19 -4.693 -14.442 2.071 1.00 0.00 C ATOM 322 NE1 TRP A 19 -2.941 -15.595 1.283 1.00 0.00 N ATOM 323 CE2 TRP A 19 -3.724 -15.413 2.392 1.00 0.00 C ATOM 324 CE3 TRP A 19 -5.624 -14.072 3.045 1.00 0.00 C ATOM 325 CZ2 TRP A 19 -3.663 -16.017 3.645 1.00 0.00 C ATOM 326 CZ3 TRP A 19 -5.562 -14.673 4.288 1.00 0.00 C ATOM 327 CH2 TRP A 19 -4.587 -15.636 4.579 1.00 0.00 C ATOM 0 H TRP A 19 -3.148 -12.204 -1.092 1.00 0.00 H new ATOM 0 HA TRP A 19 -5.444 -10.910 -0.343 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -6.288 -13.087 0.220 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -5.186 -13.284 -1.128 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -2.956 -14.703 -0.707 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -2.153 -16.239 1.213 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.379 -13.330 2.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -2.913 -16.760 3.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -6.277 -14.396 5.048 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -4.564 -16.087 5.560 1.00 0.00 H new ATOM 338 N SER A 20 -3.497 -11.470 2.206 1.00 0.00 N ATOM 339 CA SER A 20 -3.299 -11.199 3.625 1.00 0.00 C ATOM 340 C SER A 20 -3.004 -9.721 3.860 1.00 0.00 C ATOM 341 O SER A 20 -3.547 -9.105 4.778 1.00 0.00 O ATOM 342 CB SER A 20 -2.154 -12.052 4.173 1.00 0.00 C ATOM 343 OG SER A 20 -2.043 -11.915 5.579 1.00 0.00 O ATOM 0 H SER A 20 -2.668 -11.818 1.723 1.00 0.00 H new ATOM 0 HA SER A 20 -4.219 -11.456 4.151 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.322 -13.098 3.919 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.217 -11.756 3.701 1.00 0.00 H new ATOM 0 HG SER A 20 -1.305 -12.471 5.905 1.00 0.00 H new ATOM 349 N THR A 21 -2.139 -9.156 3.023 1.00 0.00 N ATOM 350 CA THR A 21 -1.769 -7.751 3.139 1.00 0.00 C ATOM 351 C THR A 21 -2.988 -6.885 3.436 1.00 0.00 C ATOM 352 O THR A 21 -3.984 -6.926 2.712 1.00 0.00 O ATOM 353 CB THR A 21 -1.091 -7.240 1.854 1.00 0.00 C ATOM 354 OG1 THR A 21 0.071 -8.027 1.568 1.00 0.00 O ATOM 355 CG2 THR A 21 -0.698 -5.777 1.994 1.00 0.00 C ATOM 0 H THR A 21 -1.682 -9.651 2.257 1.00 0.00 H new ATOM 0 HA THR A 21 -1.063 -7.677 3.966 1.00 0.00 H new ATOM 0 HB THR A 21 -1.802 -7.331 1.033 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.496 -7.697 0.749 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.221 -5.439 1.074 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.589 -5.177 2.183 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.002 -5.665 2.826 1.00 0.00 H new ATOM 363 N THR A 22 -2.904 -6.098 4.504 1.00 0.00 N ATOM 364 CA THR A 22 -4.001 -5.222 4.897 1.00 0.00 C ATOM 365 C THR A 22 -3.641 -3.758 4.674 1.00 0.00 C ATOM 366 O THR A 22 -2.471 -3.415 4.508 1.00 0.00 O ATOM 367 CB THR A 22 -4.381 -5.426 6.375 1.00 0.00 C ATOM 368 OG1 THR A 22 -3.226 -5.262 7.206 1.00 0.00 O ATOM 369 CG2 THR A 22 -4.978 -6.808 6.595 1.00 0.00 C ATOM 0 H THR A 22 -2.087 -6.049 5.113 1.00 0.00 H new ATOM 0 HA THR A 22 -4.854 -5.483 4.271 1.00 0.00 H new ATOM 0 HB THR A 22 -5.128 -4.678 6.641 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.477 -5.392 8.144 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.239 -6.929 7.647 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.874 -6.919 5.984 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.250 -7.568 6.312 1.00 0.00 H new ATOM 377 N GLN A 23 -4.655 -2.898 4.671 1.00 0.00 N ATOM 378 CA GLN A 23 -4.444 -1.469 4.468 1.00 0.00 C ATOM 379 C GLN A 23 -3.669 -0.863 5.633 1.00 0.00 C ATOM 380 O GLN A 23 -2.880 0.064 5.450 1.00 0.00 O ATOM 381 CB GLN A 23 -5.785 -0.753 4.303 1.00 0.00 C ATOM 382 CG GLN A 23 -6.326 -0.793 2.883 1.00 0.00 C ATOM 383 CD GLN A 23 -7.779 -0.368 2.800 1.00 0.00 C ATOM 384 OE1 GLN A 23 -8.091 0.823 2.802 1.00 0.00 O ATOM 385 NE2 GLN A 23 -8.678 -1.343 2.726 1.00 0.00 N ATOM 0 H GLN A 23 -5.630 -3.166 4.807 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.857 -1.339 3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.515 -1.207 4.974 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.673 0.287 4.611 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.724 -0.141 2.250 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.224 -1.804 2.488 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.375 -2.317 2.727 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.671 -1.118 2.668 1.00 0.00 H new ATOM 394 N GLU A 24 -3.900 -1.392 6.831 1.00 0.00 N ATOM 395 CA GLU A 24 -3.225 -0.900 8.026 1.00 0.00 C ATOM 396 C GLU A 24 -1.711 -1.043 7.892 1.00 0.00 C ATOM 397 O GLU A 24 -0.983 -0.050 7.853 1.00 0.00 O ATOM 398 CB GLU A 24 -3.712 -1.658 9.262 1.00 0.00 C ATOM 399 CG GLU A 24 -4.913 -1.015 9.936 1.00 0.00 C ATOM 400 CD GLU A 24 -6.047 -0.740 8.967 1.00 0.00 C ATOM 401 OE1 GLU A 24 -6.806 -1.681 8.659 1.00 0.00 O ATOM 402 OE2 GLU A 24 -6.174 0.419 8.518 1.00 0.00 O ATOM 0 H GLU A 24 -4.549 -2.161 6.999 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.465 0.157 8.139 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.970 -2.677 8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.896 -1.726 9.981 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.271 -1.668 10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.605 -0.080 10.404 1.00 0.00 H new ATOM 409 N THR A 25 -1.243 -2.285 7.822 1.00 0.00 N ATOM 410 CA THR A 25 0.182 -2.559 7.695 1.00 0.00 C ATOM 411 C THR A 25 0.756 -1.915 6.438 1.00 0.00 C ATOM 412 O THR A 25 1.899 -1.455 6.430 1.00 0.00 O ATOM 413 CB THR A 25 0.462 -4.073 7.655 1.00 0.00 C ATOM 414 OG1 THR A 25 -0.115 -4.708 8.802 1.00 0.00 O ATOM 415 CG2 THR A 25 1.958 -4.346 7.617 1.00 0.00 C ATOM 0 H THR A 25 -1.831 -3.118 7.851 1.00 0.00 H new ATOM 0 HA THR A 25 0.665 -2.131 8.573 1.00 0.00 H new ATOM 0 HB THR A 25 0.012 -4.480 6.750 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.066 -5.671 8.769 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.131 -5.422 7.589 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.389 -3.886 6.728 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.427 -3.926 8.507 1.00 0.00 H new ATOM 423 N LEU A 26 -0.043 -1.884 5.378 1.00 0.00 N ATOM 424 CA LEU A 26 0.385 -1.294 4.114 1.00 0.00 C ATOM 425 C LEU A 26 0.770 0.170 4.299 1.00 0.00 C ATOM 426 O LEU A 26 1.740 0.646 3.709 1.00 0.00 O ATOM 427 CB LEU A 26 -0.727 -1.413 3.070 1.00 0.00 C ATOM 428 CG LEU A 26 -0.327 -1.109 1.626 1.00 0.00 C ATOM 429 CD1 LEU A 26 0.611 -2.181 1.095 1.00 0.00 C ATOM 430 CD2 LEU A 26 -1.562 -0.993 0.744 1.00 0.00 C ATOM 0 H LEU A 26 -0.991 -2.260 5.368 1.00 0.00 H new ATOM 0 HA LEU A 26 1.262 -1.840 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.128 -2.426 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.536 -0.739 3.351 1.00 0.00 H new ATOM 0 HG LEU A 26 0.199 -0.154 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.885 -1.948 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.510 -2.216 1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.112 -3.149 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.259 -0.776 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.116 -1.932 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.198 -0.188 1.112 1.00 0.00 H new ATOM 442 N ARG A 27 0.005 0.878 5.123 1.00 0.00 N ATOM 443 CA ARG A 27 0.266 2.288 5.387 1.00 0.00 C ATOM 444 C ARG A 27 1.673 2.485 5.945 1.00 0.00 C ATOM 445 O ARG A 27 2.448 3.291 5.431 1.00 0.00 O ATOM 446 CB ARG A 27 -0.766 2.846 6.368 1.00 0.00 C ATOM 447 CG ARG A 27 -2.099 3.185 5.723 1.00 0.00 C ATOM 448 CD ARG A 27 -3.190 3.375 6.765 1.00 0.00 C ATOM 449 NE ARG A 27 -4.338 4.102 6.229 1.00 0.00 N ATOM 450 CZ ARG A 27 -5.478 4.267 6.891 1.00 0.00 C ATOM 451 NH1 ARG A 27 -5.621 3.761 8.108 1.00 0.00 N ATOM 452 NH2 ARG A 27 -6.477 4.941 6.336 1.00 0.00 N ATOM 0 H ARG A 27 -0.801 0.498 5.620 1.00 0.00 H new ATOM 0 HA ARG A 27 0.188 2.828 4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.931 2.117 7.162 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.361 3.742 6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.997 4.095 5.131 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.385 2.388 5.036 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.516 2.401 7.130 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.785 3.917 7.620 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.260 4.505 5.295 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.855 3.243 8.538 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.497 3.889 8.614 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.370 5.333 5.400 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.352 5.067 6.845 1.00 0.00 H new ATOM 466 N SER A 28 1.995 1.743 7.000 1.00 0.00 N ATOM 467 CA SER A 28 3.306 1.839 7.630 1.00 0.00 C ATOM 468 C SER A 28 4.412 1.493 6.638 1.00 0.00 C ATOM 469 O SER A 28 5.305 2.301 6.380 1.00 0.00 O ATOM 470 CB SER A 28 3.382 0.907 8.841 1.00 0.00 C ATOM 471 OG SER A 28 2.928 1.559 10.015 1.00 0.00 O ATOM 0 H SER A 28 1.366 1.069 7.436 1.00 0.00 H new ATOM 0 HA SER A 28 3.448 2.867 7.962 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.778 0.018 8.658 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.409 0.571 8.982 1.00 0.00 H new ATOM 0 HG SER A 28 2.985 0.942 10.774 1.00 0.00 H new ATOM 477 N TYR A 29 4.347 0.287 6.086 1.00 0.00 N ATOM 478 CA TYR A 29 5.344 -0.168 5.124 1.00 0.00 C ATOM 479 C TYR A 29 5.765 0.968 4.197 1.00 0.00 C ATOM 480 O TYR A 29 6.948 1.134 3.898 1.00 0.00 O ATOM 481 CB TYR A 29 4.795 -1.335 4.302 1.00 0.00 C ATOM 482 CG TYR A 29 5.793 -1.909 3.322 1.00 0.00 C ATOM 483 CD1 TYR A 29 6.784 -2.787 3.743 1.00 0.00 C ATOM 484 CD2 TYR A 29 5.744 -1.573 1.974 1.00 0.00 C ATOM 485 CE1 TYR A 29 7.699 -3.312 2.851 1.00 0.00 C ATOM 486 CE2 TYR A 29 6.654 -2.094 1.075 1.00 0.00 C ATOM 487 CZ TYR A 29 7.629 -2.963 1.518 1.00 0.00 C ATOM 488 OH TYR A 29 8.538 -3.486 0.626 1.00 0.00 O ATOM 0 H TYR A 29 3.614 -0.393 6.288 1.00 0.00 H new ATOM 0 HA TYR A 29 6.220 -0.504 5.679 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.469 -2.124 4.980 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.913 -1.000 3.755 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.840 -3.064 4.785 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.981 -0.893 1.624 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.465 -3.992 3.195 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.602 -1.822 0.031 1.00 0.00 H new ATOM 0 HH TYR A 29 8.700 -4.429 0.839 1.00 0.00 H new ATOM 498 N PHE A 30 4.788 1.747 3.746 1.00 0.00 N ATOM 499 CA PHE A 30 5.056 2.868 2.853 1.00 0.00 C ATOM 500 C PHE A 30 5.396 4.127 3.646 1.00 0.00 C ATOM 501 O PHE A 30 6.139 4.988 3.175 1.00 0.00 O ATOM 502 CB PHE A 30 3.846 3.130 1.953 1.00 0.00 C ATOM 503 CG PHE A 30 3.828 2.284 0.712 1.00 0.00 C ATOM 504 CD1 PHE A 30 4.742 2.504 -0.306 1.00 0.00 C ATOM 505 CD2 PHE A 30 2.897 1.269 0.563 1.00 0.00 C ATOM 506 CE1 PHE A 30 4.728 1.727 -1.449 1.00 0.00 C ATOM 507 CE2 PHE A 30 2.879 0.488 -0.577 1.00 0.00 C ATOM 508 CZ PHE A 30 3.795 0.719 -1.585 1.00 0.00 C ATOM 0 H PHE A 30 3.804 1.623 3.984 1.00 0.00 H new ATOM 0 HA PHE A 30 5.914 2.609 2.232 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.934 2.947 2.521 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.837 4.182 1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.474 3.292 -0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.177 1.086 1.347 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.446 1.908 -2.235 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.150 -0.302 -0.680 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.781 0.112 -2.478 1.00 0.00 H new ATOM 518 N SER A 31 4.846 4.226 4.852 1.00 0.00 N ATOM 519 CA SER A 31 5.086 5.380 5.709 1.00 0.00 C ATOM 520 C SER A 31 6.581 5.595 5.925 1.00 0.00 C ATOM 521 O SER A 31 7.077 6.717 5.831 1.00 0.00 O ATOM 522 CB SER A 31 4.387 5.196 7.057 1.00 0.00 C ATOM 523 OG SER A 31 4.613 6.308 7.906 1.00 0.00 O ATOM 0 H SER A 31 4.231 3.520 5.257 1.00 0.00 H new ATOM 0 HA SER A 31 4.677 6.260 5.213 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.316 5.066 6.900 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.751 4.288 7.538 1.00 0.00 H new ATOM 0 HG SER A 31 4.154 6.166 8.760 1.00 0.00 H new ATOM 529 N GLN A 32 7.293 4.510 6.214 1.00 0.00 N ATOM 530 CA GLN A 32 8.731 4.579 6.444 1.00 0.00 C ATOM 531 C GLN A 32 9.418 5.394 5.353 1.00 0.00 C ATOM 532 O GLN A 32 10.441 6.035 5.594 1.00 0.00 O ATOM 533 CB GLN A 32 9.328 3.172 6.498 1.00 0.00 C ATOM 534 CG GLN A 32 8.774 2.234 5.438 1.00 0.00 C ATOM 535 CD GLN A 32 9.769 1.169 5.023 1.00 0.00 C ATOM 536 OE1 GLN A 32 10.908 1.473 4.668 1.00 0.00 O ATOM 537 NE2 GLN A 32 9.344 -0.088 5.064 1.00 0.00 N ATOM 0 H GLN A 32 6.897 3.573 6.294 1.00 0.00 H new ATOM 0 HA GLN A 32 8.897 5.074 7.401 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.410 3.241 6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.141 2.745 7.483 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.872 1.755 5.818 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.482 2.814 4.562 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.392 -0.295 5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.970 -0.847 4.795 1.00 0.00 H new ATOM 546 N TYR A 33 8.850 5.364 4.153 1.00 0.00 N ATOM 547 CA TYR A 33 9.409 6.097 3.024 1.00 0.00 C ATOM 548 C TYR A 33 8.843 7.513 2.959 1.00 0.00 C ATOM 549 O TYR A 33 9.588 8.489 2.888 1.00 0.00 O ATOM 550 CB TYR A 33 9.119 5.360 1.715 1.00 0.00 C ATOM 551 CG TYR A 33 9.733 3.980 1.649 1.00 0.00 C ATOM 552 CD1 TYR A 33 9.037 2.866 2.104 1.00 0.00 C ATOM 553 CD2 TYR A 33 11.008 3.789 1.133 1.00 0.00 C ATOM 554 CE1 TYR A 33 9.594 1.603 2.047 1.00 0.00 C ATOM 555 CE2 TYR A 33 11.572 2.529 1.070 1.00 0.00 C ATOM 556 CZ TYR A 33 10.861 1.440 1.529 1.00 0.00 C ATOM 557 OH TYR A 33 11.420 0.184 1.469 1.00 0.00 O ATOM 0 H TYR A 33 8.002 4.840 3.937 1.00 0.00 H new ATOM 0 HA TYR A 33 10.488 6.162 3.165 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.040 5.275 1.587 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.493 5.955 0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.044 2.990 2.509 1.00 0.00 H new ATOM 0 HD2 TYR A 33 11.568 4.640 0.775 1.00 0.00 H new ATOM 0 HE1 TYR A 33 9.040 0.748 2.406 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.564 2.398 0.664 1.00 0.00 H new ATOM 0 HH TYR A 33 12.316 0.243 1.077 1.00 0.00 H new ATOM 567 N GLY A 34 7.517 7.615 2.985 1.00 0.00 N ATOM 568 CA GLY A 34 6.872 8.913 2.929 1.00 0.00 C ATOM 569 C GLY A 34 5.610 8.970 3.767 1.00 0.00 C ATOM 570 O GLY A 34 4.888 7.980 3.879 1.00 0.00 O ATOM 0 H GLY A 34 6.879 6.822 3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.569 9.677 3.275 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.628 9.150 1.893 1.00 0.00 H new ATOM 574 N GLU A 35 5.346 10.131 4.358 1.00 0.00 N ATOM 575 CA GLU A 35 4.163 10.311 5.192 1.00 0.00 C ATOM 576 C GLU A 35 2.903 9.870 4.452 1.00 0.00 C ATOM 577 O GLU A 35 2.385 10.593 3.600 1.00 0.00 O ATOM 578 CB GLU A 35 4.031 11.774 5.620 1.00 0.00 C ATOM 579 CG GLU A 35 2.655 12.130 6.157 1.00 0.00 C ATOM 580 CD GLU A 35 2.702 13.237 7.192 1.00 0.00 C ATOM 581 OE1 GLU A 35 3.763 13.414 7.826 1.00 0.00 O ATOM 582 OE2 GLU A 35 1.676 13.927 7.368 1.00 0.00 O ATOM 0 H GLU A 35 5.934 10.960 4.275 1.00 0.00 H new ATOM 0 HA GLU A 35 4.278 9.689 6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.777 11.988 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.256 12.415 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.015 12.438 5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.201 11.243 6.599 1.00 0.00 H new ATOM 589 N VAL A 36 2.415 8.679 4.784 1.00 0.00 N ATOM 590 CA VAL A 36 1.216 8.141 4.152 1.00 0.00 C ATOM 591 C VAL A 36 -0.020 8.937 4.554 1.00 0.00 C ATOM 592 O VAL A 36 -0.424 8.934 5.717 1.00 0.00 O ATOM 593 CB VAL A 36 1.003 6.661 4.522 1.00 0.00 C ATOM 594 CG1 VAL A 36 -0.323 6.159 3.972 1.00 0.00 C ATOM 595 CG2 VAL A 36 2.157 5.813 4.010 1.00 0.00 C ATOM 0 H VAL A 36 2.831 8.068 5.487 1.00 0.00 H new ATOM 0 HA VAL A 36 1.362 8.221 3.075 1.00 0.00 H new ATOM 0 HB VAL A 36 0.974 6.576 5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.456 5.112 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.138 6.749 4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.327 6.256 2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.990 4.770 4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.220 5.901 2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.089 6.159 4.457 1.00 0.00 H new ATOM 605 N VAL A 37 -0.619 9.620 3.583 1.00 0.00 N ATOM 606 CA VAL A 37 -1.812 10.420 3.834 1.00 0.00 C ATOM 607 C VAL A 37 -3.068 9.555 3.816 1.00 0.00 C ATOM 608 O VAL A 37 -4.006 9.790 4.577 1.00 0.00 O ATOM 609 CB VAL A 37 -1.962 11.546 2.794 1.00 0.00 C ATOM 610 CG1 VAL A 37 -2.876 12.641 3.320 1.00 0.00 C ATOM 611 CG2 VAL A 37 -0.600 12.110 2.420 1.00 0.00 C ATOM 0 H VAL A 37 -0.297 9.635 2.615 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.694 10.863 4.823 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.416 11.129 1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.970 13.428 2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.860 12.223 3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.455 13.059 4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.725 12.904 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.116 12.512 3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.018 11.318 1.997 1.00 0.00 H new ATOM 621 N ASP A 38 -3.077 8.555 2.943 1.00 0.00 N ATOM 622 CA ASP A 38 -4.218 7.653 2.826 1.00 0.00 C ATOM 623 C ASP A 38 -3.812 6.350 2.144 1.00 0.00 C ATOM 624 O ASP A 38 -2.948 6.340 1.267 1.00 0.00 O ATOM 625 CB ASP A 38 -5.347 8.323 2.042 1.00 0.00 C ATOM 626 CG ASP A 38 -6.717 7.824 2.459 1.00 0.00 C ATOM 627 OD1 ASP A 38 -6.859 7.382 3.618 1.00 0.00 O ATOM 628 OD2 ASP A 38 -7.646 7.874 1.626 1.00 0.00 O ATOM 0 H ASP A 38 -2.308 8.348 2.306 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.572 7.422 3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.296 9.402 2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.205 8.139 0.977 1.00 0.00 H new ATOM 633 N CYS A 39 -4.441 5.254 2.553 1.00 0.00 N ATOM 634 CA CYS A 39 -4.144 3.944 1.983 1.00 0.00 C ATOM 635 C CYS A 39 -5.427 3.221 1.586 1.00 0.00 C ATOM 636 O CYS A 39 -6.443 3.313 2.276 1.00 0.00 O ATOM 637 CB CYS A 39 -3.355 3.097 2.982 1.00 0.00 C ATOM 638 SG CYS A 39 -3.091 1.388 2.454 1.00 0.00 S ATOM 0 H CYS A 39 -5.160 5.246 3.277 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.540 4.093 1.088 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.387 3.566 3.155 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.882 3.094 3.936 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.053 0.613 3.497 1.00 0.00 H new ATOM 644 N VAL A 40 -5.374 2.502 0.469 1.00 0.00 N ATOM 645 CA VAL A 40 -6.531 1.763 -0.020 1.00 0.00 C ATOM 646 C VAL A 40 -6.114 0.430 -0.631 1.00 0.00 C ATOM 647 O VAL A 40 -5.055 0.324 -1.250 1.00 0.00 O ATOM 648 CB VAL A 40 -7.312 2.575 -1.071 1.00 0.00 C ATOM 649 CG1 VAL A 40 -8.603 1.863 -1.445 1.00 0.00 C ATOM 650 CG2 VAL A 40 -7.596 3.978 -0.557 1.00 0.00 C ATOM 0 H VAL A 40 -4.542 2.416 -0.114 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.176 1.579 0.840 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.699 2.659 -1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.141 2.452 -2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.371 0.881 -1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.224 1.745 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.148 4.537 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.189 3.918 0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.655 4.486 -0.346 1.00 0.00 H new ATOM 660 N ILE A 41 -6.953 -0.585 -0.452 1.00 0.00 N ATOM 661 CA ILE A 41 -6.672 -1.911 -0.987 1.00 0.00 C ATOM 662 C ILE A 41 -7.898 -2.495 -1.681 1.00 0.00 C ATOM 663 O ILE A 41 -8.816 -2.991 -1.029 1.00 0.00 O ATOM 664 CB ILE A 41 -6.214 -2.879 0.120 1.00 0.00 C ATOM 665 CG1 ILE A 41 -4.836 -2.471 0.645 1.00 0.00 C ATOM 666 CG2 ILE A 41 -6.186 -4.307 -0.404 1.00 0.00 C ATOM 667 CD1 ILE A 41 -4.302 -3.391 1.720 1.00 0.00 C ATOM 0 H ILE A 41 -7.833 -0.514 0.059 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.867 -1.794 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.926 -2.829 0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.131 -2.449 -0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.893 -1.457 1.041 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.860 -4.979 0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.184 -4.593 -0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.493 -4.373 -1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.322 -3.041 2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.986 -3.394 2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.213 -4.402 1.322 1.00 0.00 H new ATOM 679 N MET A 42 -7.905 -2.434 -3.009 1.00 0.00 N ATOM 680 CA MET A 42 -9.017 -2.959 -3.792 1.00 0.00 C ATOM 681 C MET A 42 -9.358 -4.383 -3.364 1.00 0.00 C ATOM 682 O MET A 42 -8.469 -5.203 -3.132 1.00 0.00 O ATOM 683 CB MET A 42 -8.676 -2.931 -5.284 1.00 0.00 C ATOM 684 CG MET A 42 -8.246 -1.561 -5.782 1.00 0.00 C ATOM 685 SD MET A 42 -9.633 -0.566 -6.365 1.00 0.00 S ATOM 686 CE MET A 42 -9.922 0.480 -4.939 1.00 0.00 C ATOM 0 H MET A 42 -7.153 -2.026 -3.565 1.00 0.00 H new ATOM 0 HA MET A 42 -9.886 -2.326 -3.613 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.878 -3.647 -5.480 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.545 -3.259 -5.854 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.736 -1.030 -4.978 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.526 -1.683 -6.591 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.981 0.730 -4.880 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.623 -0.048 -4.034 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.338 1.395 -5.035 1.00 0.00 H new ATOM 696 N LYS A 43 -10.651 -4.671 -3.261 1.00 0.00 N ATOM 697 CA LYS A 43 -11.111 -5.996 -2.862 1.00 0.00 C ATOM 698 C LYS A 43 -12.072 -6.573 -3.896 1.00 0.00 C ATOM 699 O LYS A 43 -12.786 -5.834 -4.574 1.00 0.00 O ATOM 700 CB LYS A 43 -11.795 -5.930 -1.495 1.00 0.00 C ATOM 701 CG LYS A 43 -10.841 -6.113 -0.327 1.00 0.00 C ATOM 702 CD LYS A 43 -11.314 -5.358 0.903 1.00 0.00 C ATOM 703 CE LYS A 43 -10.164 -5.067 1.855 1.00 0.00 C ATOM 704 NZ LYS A 43 -10.567 -4.132 2.942 1.00 0.00 N ATOM 0 H LYS A 43 -11.400 -4.004 -3.448 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.242 -6.650 -2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.297 -4.968 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.566 -6.699 -1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.752 -7.174 -0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.848 -5.764 -0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.782 -4.422 0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.076 -5.942 1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.809 -6.000 2.292 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.331 -4.639 1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.756 -3.959 3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.882 -3.232 2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.345 -4.551 3.490 1.00 0.00 H new ATOM 718 N ASP A 44 -12.085 -7.896 -4.011 1.00 0.00 N ATOM 719 CA ASP A 44 -12.961 -8.573 -4.961 1.00 0.00 C ATOM 720 C ASP A 44 -14.392 -8.056 -4.845 1.00 0.00 C ATOM 721 O ASP A 44 -14.715 -7.290 -3.936 1.00 0.00 O ATOM 722 CB ASP A 44 -12.931 -10.084 -4.729 1.00 0.00 C ATOM 723 CG ASP A 44 -13.714 -10.847 -5.780 1.00 0.00 C ATOM 724 OD1 ASP A 44 -13.118 -11.209 -6.816 1.00 0.00 O ATOM 725 OD2 ASP A 44 -14.922 -11.082 -5.566 1.00 0.00 O ATOM 0 H ASP A 44 -11.499 -8.522 -3.458 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.598 -8.361 -5.967 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.897 -10.428 -4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.340 -10.305 -3.743 1.00 0.00 H new ATOM 730 N LYS A 45 -15.246 -8.479 -5.770 1.00 0.00 N ATOM 731 CA LYS A 45 -16.642 -8.060 -5.772 1.00 0.00 C ATOM 732 C LYS A 45 -17.420 -8.755 -4.660 1.00 0.00 C ATOM 733 O LYS A 45 -17.937 -8.105 -3.750 1.00 0.00 O ATOM 734 CB LYS A 45 -17.286 -8.366 -7.127 1.00 0.00 C ATOM 735 CG LYS A 45 -18.713 -7.861 -7.250 1.00 0.00 C ATOM 736 CD LYS A 45 -18.761 -6.345 -7.348 1.00 0.00 C ATOM 737 CE LYS A 45 -18.639 -5.876 -8.790 1.00 0.00 C ATOM 738 NZ LYS A 45 -19.953 -5.887 -9.490 1.00 0.00 N ATOM 0 H LYS A 45 -14.995 -9.113 -6.529 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.673 -6.985 -5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -16.682 -7.919 -7.916 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.276 -9.444 -7.290 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.180 -8.299 -8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.292 -8.189 -6.387 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -19.697 -5.981 -6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.954 -5.915 -6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.225 -4.868 -8.810 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.938 -6.519 -9.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.827 -5.561 -10.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -20.336 -6.854 -9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -20.614 -5.254 -8.997 1.00 0.00 H new ATOM 752 N THR A 46 -17.499 -10.080 -4.737 1.00 0.00 N ATOM 753 CA THR A 46 -18.214 -10.862 -3.736 1.00 0.00 C ATOM 754 C THR A 46 -17.305 -11.220 -2.566 1.00 0.00 C ATOM 755 O THR A 46 -17.571 -10.847 -1.422 1.00 0.00 O ATOM 756 CB THR A 46 -18.787 -12.158 -4.340 1.00 0.00 C ATOM 757 OG1 THR A 46 -19.665 -11.845 -5.427 1.00 0.00 O ATOM 758 CG2 THR A 46 -19.538 -12.960 -3.288 1.00 0.00 C ATOM 0 H THR A 46 -17.077 -10.634 -5.482 1.00 0.00 H new ATOM 0 HA THR A 46 -19.036 -10.242 -3.378 1.00 0.00 H new ATOM 0 HB THR A 46 -17.956 -12.760 -4.707 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.024 -12.674 -5.807 1.00 0.00 H new ATOM 0 HG21 THR A 46 -19.933 -13.871 -3.738 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.859 -13.222 -2.477 1.00 0.00 H new ATOM 0 HG23 THR A 46 -20.361 -12.363 -2.894 1.00 0.00 H new ATOM 766 N THR A 47 -16.229 -11.945 -2.857 1.00 0.00 N ATOM 767 CA THR A 47 -15.280 -12.353 -1.829 1.00 0.00 C ATOM 768 C THR A 47 -14.869 -11.170 -0.960 1.00 0.00 C ATOM 769 O THR A 47 -14.529 -11.337 0.211 1.00 0.00 O ATOM 770 CB THR A 47 -14.019 -12.984 -2.447 1.00 0.00 C ATOM 771 OG1 THR A 47 -13.823 -12.488 -3.776 1.00 0.00 O ATOM 772 CG2 THR A 47 -14.132 -14.501 -2.478 1.00 0.00 C ATOM 0 H THR A 47 -15.993 -12.262 -3.797 1.00 0.00 H new ATOM 0 HA THR A 47 -15.784 -13.097 -1.211 1.00 0.00 H new ATOM 0 HB THR A 47 -13.164 -12.712 -1.829 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.018 -12.893 -4.161 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.229 -14.924 -2.919 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.251 -14.878 -1.462 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.997 -14.789 -3.075 1.00 0.00 H new ATOM 780 N ASN A 48 -14.903 -9.975 -1.540 1.00 0.00 N ATOM 781 CA ASN A 48 -14.534 -8.763 -0.817 1.00 0.00 C ATOM 782 C ASN A 48 -13.295 -8.999 0.042 1.00 0.00 C ATOM 783 O ASN A 48 -13.082 -8.312 1.041 1.00 0.00 O ATOM 784 CB ASN A 48 -15.696 -8.294 0.061 1.00 0.00 C ATOM 785 CG ASN A 48 -16.910 -7.891 -0.753 1.00 0.00 C ATOM 786 OD1 ASN A 48 -16.802 -7.129 -1.714 1.00 0.00 O ATOM 787 ND2 ASN A 48 -18.075 -8.403 -0.371 1.00 0.00 N ATOM 0 H ASN A 48 -15.182 -9.820 -2.509 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.305 -7.988 -1.549 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.973 -9.092 0.750 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.371 -7.448 0.667 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.927 -8.168 -0.881 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -18.118 -9.031 0.432 1.00 0.00 H new ATOM 794 N GLN A 49 -12.484 -9.973 -0.354 1.00 0.00 N ATOM 795 CA GLN A 49 -11.266 -10.299 0.379 1.00 0.00 C ATOM 796 C GLN A 49 -10.106 -9.420 -0.074 1.00 0.00 C ATOM 797 O GLN A 49 -9.462 -8.757 0.739 1.00 0.00 O ATOM 798 CB GLN A 49 -10.910 -11.774 0.188 1.00 0.00 C ATOM 799 CG GLN A 49 -11.521 -12.689 1.237 1.00 0.00 C ATOM 800 CD GLN A 49 -11.306 -14.157 0.927 1.00 0.00 C ATOM 801 OE1 GLN A 49 -10.234 -14.558 0.474 1.00 0.00 O ATOM 802 NE2 GLN A 49 -12.328 -14.970 1.171 1.00 0.00 N ATOM 0 H GLN A 49 -12.648 -10.551 -1.178 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.448 -10.111 1.437 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.243 -12.094 -0.799 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.826 -11.883 0.210 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.087 -12.460 2.210 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.590 -12.490 1.309 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.199 -14.595 1.547 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.241 -15.969 0.983 1.00 0.00 H new ATOM 811 N SER A 50 -9.844 -9.420 -1.377 1.00 0.00 N ATOM 812 CA SER A 50 -8.757 -8.625 -1.938 1.00 0.00 C ATOM 813 C SER A 50 -8.751 -8.713 -3.461 1.00 0.00 C ATOM 814 O SER A 50 -9.487 -9.504 -4.052 1.00 0.00 O ATOM 815 CB SER A 50 -7.412 -9.098 -1.383 1.00 0.00 C ATOM 816 OG SER A 50 -7.212 -10.478 -1.636 1.00 0.00 O ATOM 0 H SER A 50 -10.369 -9.961 -2.064 1.00 0.00 H new ATOM 0 HA SER A 50 -8.914 -7.585 -1.652 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.605 -8.522 -1.836 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.373 -8.913 -0.310 1.00 0.00 H new ATOM 0 HG SER A 50 -6.373 -10.602 -2.126 1.00 0.00 H new ATOM 822 N ARG A 51 -7.914 -7.894 -4.091 1.00 0.00 N ATOM 823 CA ARG A 51 -7.812 -7.878 -5.546 1.00 0.00 C ATOM 824 C ARG A 51 -6.365 -8.067 -5.991 1.00 0.00 C ATOM 825 O ARG A 51 -6.101 -8.548 -7.092 1.00 0.00 O ATOM 826 CB ARG A 51 -8.360 -6.562 -6.102 1.00 0.00 C ATOM 827 CG ARG A 51 -9.879 -6.501 -6.134 1.00 0.00 C ATOM 828 CD ARG A 51 -10.429 -7.019 -7.454 1.00 0.00 C ATOM 829 NE ARG A 51 -11.810 -6.597 -7.674 1.00 0.00 N ATOM 830 CZ ARG A 51 -12.647 -7.220 -8.496 1.00 0.00 C ATOM 831 NH1 ARG A 51 -12.245 -8.288 -9.171 1.00 0.00 N ATOM 832 NH2 ARG A 51 -13.888 -6.776 -8.643 1.00 0.00 N ATOM 0 H ARG A 51 -7.298 -7.234 -3.617 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.405 -8.705 -5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.984 -5.737 -5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.977 -6.417 -7.112 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.285 -7.091 -5.313 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.206 -5.473 -5.980 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.805 -6.660 -8.273 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.376 -8.108 -7.467 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.150 -5.779 -7.169 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.291 -8.633 -9.060 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.889 -8.765 -9.802 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.201 -5.955 -8.125 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.530 -7.255 -9.275 1.00 0.00 H new ATOM 846 N GLY A 52 -5.430 -7.684 -5.126 1.00 0.00 N ATOM 847 CA GLY A 52 -4.022 -7.818 -5.449 1.00 0.00 C ATOM 848 C GLY A 52 -3.371 -6.487 -5.770 1.00 0.00 C ATOM 849 O GLY A 52 -2.259 -6.443 -6.297 1.00 0.00 O ATOM 0 H GLY A 52 -5.623 -7.284 -4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.502 -8.280 -4.610 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.910 -8.488 -6.301 1.00 0.00 H new ATOM 853 N PHE A 53 -4.065 -5.399 -5.454 1.00 0.00 N ATOM 854 CA PHE A 53 -3.549 -4.060 -5.714 1.00 0.00 C ATOM 855 C PHE A 53 -4.290 -3.020 -4.880 1.00 0.00 C ATOM 856 O PHE A 53 -5.393 -3.268 -4.396 1.00 0.00 O ATOM 857 CB PHE A 53 -3.675 -3.722 -7.201 1.00 0.00 C ATOM 858 CG PHE A 53 -5.037 -4.010 -7.767 1.00 0.00 C ATOM 859 CD1 PHE A 53 -5.350 -5.272 -8.246 1.00 0.00 C ATOM 860 CD2 PHE A 53 -6.003 -3.018 -7.821 1.00 0.00 C ATOM 861 CE1 PHE A 53 -6.601 -5.539 -8.768 1.00 0.00 C ATOM 862 CE2 PHE A 53 -7.256 -3.279 -8.342 1.00 0.00 C ATOM 863 CZ PHE A 53 -7.556 -4.542 -8.815 1.00 0.00 C ATOM 0 H PHE A 53 -4.987 -5.418 -5.017 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.496 -4.042 -5.432 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.445 -2.666 -7.346 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.931 -4.290 -7.759 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.608 -6.056 -8.211 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.774 -2.029 -7.452 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.832 -6.527 -9.139 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.000 -2.497 -8.379 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.535 -4.749 -9.221 1.00 0.00 H new ATOM 873 N GLY A 54 -3.673 -1.854 -4.715 1.00 0.00 N ATOM 874 CA GLY A 54 -4.287 -0.793 -3.938 1.00 0.00 C ATOM 875 C GLY A 54 -3.754 0.578 -4.304 1.00 0.00 C ATOM 876 O GLY A 54 -3.348 0.810 -5.443 1.00 0.00 O ATOM 0 H GLY A 54 -2.759 -1.625 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.366 -0.813 -4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.112 -0.976 -2.878 1.00 0.00 H new ATOM 880 N PHE A 55 -3.755 1.489 -3.337 1.00 0.00 N ATOM 881 CA PHE A 55 -3.270 2.846 -3.565 1.00 0.00 C ATOM 882 C PHE A 55 -2.672 3.430 -2.288 1.00 0.00 C ATOM 883 O PHE A 55 -3.022 3.022 -1.181 1.00 0.00 O ATOM 884 CB PHE A 55 -4.407 3.740 -4.064 1.00 0.00 C ATOM 885 CG PHE A 55 -4.956 3.322 -5.399 1.00 0.00 C ATOM 886 CD1 PHE A 55 -5.848 2.266 -5.495 1.00 0.00 C ATOM 887 CD2 PHE A 55 -4.580 3.985 -6.556 1.00 0.00 C ATOM 888 CE1 PHE A 55 -6.354 1.879 -6.722 1.00 0.00 C ATOM 889 CE2 PHE A 55 -5.083 3.603 -7.785 1.00 0.00 C ATOM 890 CZ PHE A 55 -5.972 2.549 -7.868 1.00 0.00 C ATOM 0 H PHE A 55 -4.086 1.313 -2.388 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.490 2.804 -4.325 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.213 3.733 -3.330 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.048 4.767 -4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.151 1.740 -4.602 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.886 4.810 -6.497 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.047 1.053 -6.784 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.781 4.128 -8.679 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.368 2.249 -8.827 1.00 0.00 H new ATOM 900 N VAL A 56 -1.765 4.389 -2.452 1.00 0.00 N ATOM 901 CA VAL A 56 -1.118 5.031 -1.314 1.00 0.00 C ATOM 902 C VAL A 56 -0.832 6.500 -1.602 1.00 0.00 C ATOM 903 O VAL A 56 -0.089 6.830 -2.527 1.00 0.00 O ATOM 904 CB VAL A 56 0.201 4.324 -0.947 1.00 0.00 C ATOM 905 CG1 VAL A 56 0.891 5.045 0.201 1.00 0.00 C ATOM 906 CG2 VAL A 56 -0.055 2.867 -0.596 1.00 0.00 C ATOM 0 H VAL A 56 -1.462 4.738 -3.361 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.808 4.957 -0.473 1.00 0.00 H new ATOM 0 HB VAL A 56 0.862 4.354 -1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.821 4.532 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.110 6.071 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.237 5.049 1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.888 2.383 -0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.734 2.812 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.502 2.360 -1.451 1.00 0.00 H new ATOM 916 N LYS A 57 -1.426 7.380 -0.803 1.00 0.00 N ATOM 917 CA LYS A 57 -1.234 8.816 -0.969 1.00 0.00 C ATOM 918 C LYS A 57 -0.067 9.311 -0.122 1.00 0.00 C ATOM 919 O LYS A 57 0.139 8.848 1.000 1.00 0.00 O ATOM 920 CB LYS A 57 -2.511 9.569 -0.587 1.00 0.00 C ATOM 921 CG LYS A 57 -2.654 10.913 -1.279 1.00 0.00 C ATOM 922 CD LYS A 57 -3.796 11.725 -0.690 1.00 0.00 C ATOM 923 CE LYS A 57 -3.742 13.175 -1.145 1.00 0.00 C ATOM 924 NZ LYS A 57 -3.918 13.301 -2.618 1.00 0.00 N ATOM 0 H LYS A 57 -2.045 7.124 -0.034 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.005 9.008 -2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.375 8.950 -0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.524 9.722 0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.723 11.472 -1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.828 10.758 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.748 11.285 -0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.751 11.682 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.520 13.744 -0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.786 13.611 -0.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.926 14.307 -2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.133 12.822 -3.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.818 12.862 -2.899 1.00 0.00 H new ATOM 938 N PHE A 58 0.695 10.255 -0.666 1.00 0.00 N ATOM 939 CA PHE A 58 1.842 10.813 0.040 1.00 0.00 C ATOM 940 C PHE A 58 1.709 12.326 0.183 1.00 0.00 C ATOM 941 O PHE A 58 1.493 13.038 -0.798 1.00 0.00 O ATOM 942 CB PHE A 58 3.138 10.471 -0.698 1.00 0.00 C ATOM 943 CG PHE A 58 3.623 9.073 -0.442 1.00 0.00 C ATOM 944 CD1 PHE A 58 4.476 8.804 0.616 1.00 0.00 C ATOM 945 CD2 PHE A 58 3.224 8.027 -1.259 1.00 0.00 C ATOM 946 CE1 PHE A 58 4.925 7.519 0.853 1.00 0.00 C ATOM 947 CE2 PHE A 58 3.669 6.739 -1.026 1.00 0.00 C ATOM 948 CZ PHE A 58 4.519 6.484 0.032 1.00 0.00 C ATOM 0 H PHE A 58 0.538 10.649 -1.594 1.00 0.00 H new ATOM 0 HA PHE A 58 1.873 10.373 1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.982 10.603 -1.769 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.914 11.176 -0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.794 9.608 1.263 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.558 8.220 -2.087 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.593 7.324 1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.352 5.933 -1.671 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.866 5.478 0.217 1.00 0.00 H new ATOM 958 N LYS A 59 1.838 12.812 1.414 1.00 0.00 N ATOM 959 CA LYS A 59 1.734 14.240 1.688 1.00 0.00 C ATOM 960 C LYS A 59 2.464 15.053 0.624 1.00 0.00 C ATOM 961 O LYS A 59 2.030 16.146 0.259 1.00 0.00 O ATOM 962 CB LYS A 59 2.307 14.558 3.071 1.00 0.00 C ATOM 963 CG LYS A 59 1.840 15.890 3.632 1.00 0.00 C ATOM 964 CD LYS A 59 1.901 15.908 5.150 1.00 0.00 C ATOM 965 CE LYS A 59 1.834 17.327 5.694 1.00 0.00 C ATOM 966 NZ LYS A 59 3.016 18.134 5.281 1.00 0.00 N ATOM 0 H LYS A 59 2.015 12.237 2.238 1.00 0.00 H new ATOM 0 HA LYS A 59 0.679 14.512 1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.026 13.764 3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.395 14.560 3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.461 16.692 3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.818 16.085 3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.076 15.323 5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.823 15.432 5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.923 17.809 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.777 17.297 6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.159 18.911 5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.861 17.529 5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.854 18.527 4.332 1.00 0.00 H new ATOM 980 N ASP A 60 3.571 14.513 0.129 1.00 0.00 N ATOM 981 CA ASP A 60 4.360 15.187 -0.895 1.00 0.00 C ATOM 982 C ASP A 60 4.561 14.285 -2.109 1.00 0.00 C ATOM 983 O ASP A 60 4.820 13.087 -1.986 1.00 0.00 O ATOM 984 CB ASP A 60 5.716 15.611 -0.329 1.00 0.00 C ATOM 985 CG ASP A 60 6.711 14.468 -0.292 1.00 0.00 C ATOM 986 OD1 ASP A 60 6.279 13.312 -0.102 1.00 0.00 O ATOM 987 OD2 ASP A 60 7.922 14.729 -0.452 1.00 0.00 O ATOM 0 H ASP A 60 3.943 13.609 0.420 1.00 0.00 H new ATOM 0 HA ASP A 60 3.814 16.075 -1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.121 16.422 -0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.579 16.003 0.679 1.00 0.00 H new ATOM 992 N PRO A 61 4.438 14.870 -3.309 1.00 0.00 N ATOM 993 CA PRO A 61 4.602 14.137 -4.568 1.00 0.00 C ATOM 994 C PRO A 61 6.048 13.718 -4.811 1.00 0.00 C ATOM 995 O PRO A 61 6.360 13.090 -5.821 1.00 0.00 O ATOM 996 CB PRO A 61 4.152 15.146 -5.627 1.00 0.00 C ATOM 997 CG PRO A 61 4.379 16.479 -5.001 1.00 0.00 C ATOM 998 CD PRO A 61 4.130 16.293 -3.530 1.00 0.00 C ATOM 0 HA PRO A 61 4.032 13.208 -4.576 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.727 15.038 -6.547 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.103 15.005 -5.888 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.395 16.828 -5.184 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.705 17.227 -5.419 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.769 16.940 -2.929 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.099 16.527 -3.264 1.00 0.00 H new ATOM 1006 N ASN A 62 6.926 14.071 -3.878 1.00 0.00 N ATOM 1007 CA ASN A 62 8.340 13.732 -3.992 1.00 0.00 C ATOM 1008 C ASN A 62 8.620 12.358 -3.390 1.00 0.00 C ATOM 1009 O ASN A 62 9.496 11.631 -3.859 1.00 0.00 O ATOM 1010 CB ASN A 62 9.197 14.790 -3.295 1.00 0.00 C ATOM 1011 CG ASN A 62 10.633 14.785 -3.784 1.00 0.00 C ATOM 1012 OD1 ASN A 62 11.330 13.775 -3.686 1.00 0.00 O ATOM 1013 ND2 ASN A 62 11.081 15.917 -4.315 1.00 0.00 N ATOM 0 H ASN A 62 6.684 14.591 -3.035 1.00 0.00 H new ATOM 0 HA ASN A 62 8.597 13.705 -5.051 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.762 15.775 -3.464 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.182 14.615 -2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.038 15.974 -4.662 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.468 16.730 -4.376 1.00 0.00 H new ATOM 1020 N CYS A 63 7.869 12.009 -2.351 1.00 0.00 N ATOM 1021 CA CYS A 63 8.036 10.722 -1.685 1.00 0.00 C ATOM 1022 C CYS A 63 7.767 9.572 -2.649 1.00 0.00 C ATOM 1023 O CYS A 63 8.365 8.501 -2.538 1.00 0.00 O ATOM 1024 CB CYS A 63 7.099 10.623 -0.480 1.00 0.00 C ATOM 1025 SG CYS A 63 7.800 11.274 1.055 1.00 0.00 S ATOM 0 H CYS A 63 7.139 12.599 -1.952 1.00 0.00 H new ATOM 0 HA CYS A 63 9.068 10.650 -1.341 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.178 11.162 -0.704 1.00 0.00 H new ATOM 0 HB3 CYS A 63 6.828 9.578 -0.329 1.00 0.00 H new ATOM 0 HG CYS A 63 7.336 12.469 1.271 1.00 0.00 H new ATOM 1031 N VAL A 64 6.862 9.799 -3.596 1.00 0.00 N ATOM 1032 CA VAL A 64 6.512 8.782 -4.580 1.00 0.00 C ATOM 1033 C VAL A 64 7.756 8.237 -5.273 1.00 0.00 C ATOM 1034 O VAL A 64 7.990 7.030 -5.293 1.00 0.00 O ATOM 1035 CB VAL A 64 5.547 9.338 -5.644 1.00 0.00 C ATOM 1036 CG1 VAL A 64 5.193 8.261 -6.659 1.00 0.00 C ATOM 1037 CG2 VAL A 64 4.294 9.896 -4.987 1.00 0.00 C ATOM 0 H VAL A 64 6.358 10.679 -3.702 1.00 0.00 H new ATOM 0 HA VAL A 64 6.018 7.975 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 64 6.045 10.151 -6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.510 8.672 -7.403 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.101 7.913 -7.152 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.714 7.425 -6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.623 10.285 -5.754 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.791 9.104 -4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.569 10.700 -4.304 1.00 0.00 H new ATOM 1047 N GLY A 65 8.553 9.138 -5.840 1.00 0.00 N ATOM 1048 CA GLY A 65 9.765 8.729 -6.526 1.00 0.00 C ATOM 1049 C GLY A 65 10.688 7.917 -5.639 1.00 0.00 C ATOM 1050 O GLY A 65 11.074 6.801 -5.987 1.00 0.00 O ATOM 0 H GLY A 65 8.381 10.143 -5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.500 8.141 -7.405 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.293 9.613 -6.882 1.00 0.00 H new ATOM 1054 N THR A 66 11.045 8.480 -4.488 1.00 0.00 N ATOM 1055 CA THR A 66 11.931 7.803 -3.550 1.00 0.00 C ATOM 1056 C THR A 66 11.620 6.312 -3.478 1.00 0.00 C ATOM 1057 O THR A 66 12.521 5.476 -3.545 1.00 0.00 O ATOM 1058 CB THR A 66 11.821 8.407 -2.137 1.00 0.00 C ATOM 1059 OG1 THR A 66 12.298 9.757 -2.144 1.00 0.00 O ATOM 1060 CG2 THR A 66 12.618 7.587 -1.134 1.00 0.00 C ATOM 0 H THR A 66 10.734 9.403 -4.184 1.00 0.00 H new ATOM 0 HA THR A 66 12.947 7.942 -3.919 1.00 0.00 H new ATOM 0 HB THR A 66 10.772 8.394 -1.840 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.223 10.135 -1.243 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.525 8.033 -0.144 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.233 6.567 -1.110 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.667 7.572 -1.428 1.00 0.00 H new ATOM 1068 N VAL A 67 10.339 5.985 -3.341 1.00 0.00 N ATOM 1069 CA VAL A 67 9.909 4.595 -3.261 1.00 0.00 C ATOM 1070 C VAL A 67 10.080 3.889 -4.602 1.00 0.00 C ATOM 1071 O VAL A 67 10.579 2.765 -4.666 1.00 0.00 O ATOM 1072 CB VAL A 67 8.437 4.487 -2.821 1.00 0.00 C ATOM 1073 CG1 VAL A 67 7.997 3.031 -2.780 1.00 0.00 C ATOM 1074 CG2 VAL A 67 8.237 5.151 -1.467 1.00 0.00 C ATOM 0 H VAL A 67 9.581 6.665 -3.283 1.00 0.00 H new ATOM 0 HA VAL A 67 10.540 4.111 -2.515 1.00 0.00 H new ATOM 0 HB VAL A 67 7.818 5.008 -3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.954 2.975 -2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.103 2.591 -3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.618 2.483 -2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.191 5.066 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.866 4.660 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.510 6.204 -1.534 1.00 0.00 H new ATOM 1084 N LEU A 68 9.662 4.556 -5.672 1.00 0.00 N ATOM 1085 CA LEU A 68 9.769 3.994 -7.014 1.00 0.00 C ATOM 1086 C LEU A 68 11.192 3.522 -7.295 1.00 0.00 C ATOM 1087 O LEU A 68 11.402 2.438 -7.838 1.00 0.00 O ATOM 1088 CB LEU A 68 9.347 5.029 -8.058 1.00 0.00 C ATOM 1089 CG LEU A 68 7.874 5.439 -8.039 1.00 0.00 C ATOM 1090 CD1 LEU A 68 7.646 6.649 -8.932 1.00 0.00 C ATOM 1091 CD2 LEU A 68 6.992 4.278 -8.474 1.00 0.00 C ATOM 0 H LEU A 68 9.246 5.487 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 68 9.102 3.134 -7.075 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.954 5.924 -7.920 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.581 4.635 -9.047 1.00 0.00 H new ATOM 0 HG LEU A 68 7.605 5.711 -7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.592 6.927 -8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.250 7.483 -8.575 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.932 6.405 -9.955 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.947 4.588 -8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.262 3.975 -9.486 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.134 3.438 -7.794 1.00 0.00 H new ATOM 1103 N ALA A 69 12.167 4.344 -6.920 1.00 0.00 N ATOM 1104 CA ALA A 69 13.570 4.009 -7.128 1.00 0.00 C ATOM 1105 C ALA A 69 13.956 2.753 -6.353 1.00 0.00 C ATOM 1106 O ALA A 69 14.746 1.938 -6.828 1.00 0.00 O ATOM 1107 CB ALA A 69 14.457 5.176 -6.719 1.00 0.00 C ATOM 0 H ALA A 69 12.011 5.246 -6.471 1.00 0.00 H new ATOM 0 HA ALA A 69 13.716 3.809 -8.189 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.502 4.912 -6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.207 6.051 -7.319 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.298 5.402 -5.665 1.00 0.00 H new ATOM 1113 N SER A 70 13.393 2.604 -5.158 1.00 0.00 N ATOM 1114 CA SER A 70 13.681 1.449 -4.316 1.00 0.00 C ATOM 1115 C SER A 70 13.256 0.156 -5.004 1.00 0.00 C ATOM 1116 O SER A 70 13.869 -0.894 -4.809 1.00 0.00 O ATOM 1117 CB SER A 70 12.967 1.583 -2.970 1.00 0.00 C ATOM 1118 OG SER A 70 13.061 0.383 -2.221 1.00 0.00 O ATOM 0 H SER A 70 12.735 3.269 -4.751 1.00 0.00 H new ATOM 0 HA SER A 70 14.757 1.413 -4.146 1.00 0.00 H new ATOM 0 HB2 SER A 70 13.405 2.405 -2.403 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.919 1.832 -3.134 1.00 0.00 H new ATOM 0 HG SER A 70 12.598 0.495 -1.365 1.00 0.00 H new ATOM 1124 N ARG A 71 12.203 0.240 -5.810 1.00 0.00 N ATOM 1125 CA ARG A 71 11.694 -0.924 -6.527 1.00 0.00 C ATOM 1126 C ARG A 71 12.837 -1.835 -6.964 1.00 0.00 C ATOM 1127 O ARG A 71 13.953 -1.388 -7.232 1.00 0.00 O ATOM 1128 CB ARG A 71 10.883 -0.483 -7.747 1.00 0.00 C ATOM 1129 CG ARG A 71 9.513 0.074 -7.398 1.00 0.00 C ATOM 1130 CD ARG A 71 8.734 0.458 -8.646 1.00 0.00 C ATOM 1131 NE ARG A 71 9.336 1.592 -9.341 1.00 0.00 N ATOM 1132 CZ ARG A 71 9.139 1.855 -10.628 1.00 0.00 C ATOM 1133 NH1 ARG A 71 8.359 1.068 -11.357 1.00 0.00 N ATOM 1134 NH2 ARG A 71 9.722 2.906 -11.189 1.00 0.00 N ATOM 0 H ARG A 71 11.685 1.102 -5.983 1.00 0.00 H new ATOM 0 HA ARG A 71 11.046 -1.482 -5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.446 0.275 -8.292 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.760 -1.333 -8.418 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.951 -0.668 -6.831 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.627 0.947 -6.756 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.687 -0.397 -9.321 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.708 0.704 -8.371 1.00 0.00 H new ATOM 0 HE ARG A 71 9.941 2.217 -8.809 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.909 0.259 -10.930 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.209 1.272 -12.345 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.323 3.514 -10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.570 3.107 -12.177 1.00 0.00 H new ATOM 1148 N PRO A 72 12.555 -3.144 -7.039 1.00 0.00 N ATOM 1149 CA PRO A 72 11.231 -3.688 -6.722 1.00 0.00 C ATOM 1150 C PRO A 72 10.911 -3.604 -5.233 1.00 0.00 C ATOM 1151 O PRO A 72 11.686 -3.052 -4.451 1.00 0.00 O ATOM 1152 CB PRO A 72 11.333 -5.150 -7.165 1.00 0.00 C ATOM 1153 CG PRO A 72 12.786 -5.468 -7.090 1.00 0.00 C ATOM 1154 CD PRO A 72 13.507 -4.195 -7.437 1.00 0.00 C ATOM 0 HA PRO A 72 10.433 -3.133 -7.216 1.00 0.00 H new ATOM 0 HB2 PRO A 72 10.751 -5.802 -6.514 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.950 -5.285 -8.177 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.059 -5.812 -6.092 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.047 -6.266 -7.785 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.450 -4.108 -6.898 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.742 -4.143 -8.500 1.00 0.00 H new ATOM 1162 N HIS A 73 9.764 -4.154 -4.848 1.00 0.00 N ATOM 1163 CA HIS A 73 9.341 -4.141 -3.452 1.00 0.00 C ATOM 1164 C HIS A 73 8.757 -5.492 -3.049 1.00 0.00 C ATOM 1165 O HIS A 73 8.459 -6.331 -3.900 1.00 0.00 O ATOM 1166 CB HIS A 73 8.311 -3.036 -3.218 1.00 0.00 C ATOM 1167 CG HIS A 73 8.921 -1.691 -2.969 1.00 0.00 C ATOM 1168 ND1 HIS A 73 9.127 -1.181 -1.704 1.00 0.00 N ATOM 1169 CD2 HIS A 73 9.372 -0.750 -3.831 1.00 0.00 C ATOM 1170 CE1 HIS A 73 9.677 0.016 -1.799 1.00 0.00 C ATOM 1171 NE2 HIS A 73 9.837 0.301 -3.079 1.00 0.00 N ATOM 0 H HIS A 73 9.111 -4.614 -5.482 1.00 0.00 H new ATOM 0 HA HIS A 73 10.218 -3.945 -2.835 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.655 -2.973 -4.086 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.688 -3.306 -2.366 1.00 0.00 H new ATOM 0 HD1 HIS A 73 8.891 -1.654 -0.832 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.367 -0.814 -4.909 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.950 0.654 -0.971 1.00 0.00 H new ATOM 1180 N THR A 74 8.594 -5.696 -1.745 1.00 0.00 N ATOM 1181 CA THR A 74 8.047 -6.944 -1.229 1.00 0.00 C ATOM 1182 C THR A 74 7.553 -6.778 0.203 1.00 0.00 C ATOM 1183 O THR A 74 8.348 -6.617 1.130 1.00 0.00 O ATOM 1184 CB THR A 74 9.092 -8.076 -1.272 1.00 0.00 C ATOM 1185 OG1 THR A 74 9.600 -8.224 -2.602 1.00 0.00 O ATOM 1186 CG2 THR A 74 8.486 -9.390 -0.805 1.00 0.00 C ATOM 0 H THR A 74 8.833 -5.012 -1.027 1.00 0.00 H new ATOM 0 HA THR A 74 7.207 -7.210 -1.871 1.00 0.00 H new ATOM 0 HB THR A 74 9.909 -7.812 -0.600 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.994 -7.784 -3.234 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.242 -10.174 -0.844 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.128 -9.282 0.219 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.652 -9.657 -1.454 1.00 0.00 H new ATOM 1194 N LEU A 75 6.237 -6.819 0.378 1.00 0.00 N ATOM 1195 CA LEU A 75 5.636 -6.673 1.699 1.00 0.00 C ATOM 1196 C LEU A 75 4.713 -7.847 2.010 1.00 0.00 C ATOM 1197 O LEU A 75 4.177 -8.485 1.104 1.00 0.00 O ATOM 1198 CB LEU A 75 4.856 -5.360 1.785 1.00 0.00 C ATOM 1199 CG LEU A 75 3.826 -5.263 2.911 1.00 0.00 C ATOM 1200 CD1 LEU A 75 4.519 -5.127 4.258 1.00 0.00 C ATOM 1201 CD2 LEU A 75 2.884 -4.092 2.672 1.00 0.00 C ATOM 0 H LEU A 75 5.566 -6.952 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 75 6.439 -6.660 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.569 -4.544 1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.343 -5.203 0.836 1.00 0.00 H new ATOM 0 HG LEU A 75 3.238 -6.180 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.770 -5.059 5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.151 -5.998 4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.133 -4.226 4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.158 -4.038 3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.457 -3.166 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.362 -4.233 1.726 1.00 0.00 H new ATOM 1213 N ASP A 76 4.530 -8.125 3.297 1.00 0.00 N ATOM 1214 CA ASP A 76 3.669 -9.220 3.728 1.00 0.00 C ATOM 1215 C ASP A 76 4.060 -10.522 3.036 1.00 0.00 C ATOM 1216 O ASP A 76 3.200 -11.294 2.612 1.00 0.00 O ATOM 1217 CB ASP A 76 2.205 -8.891 3.435 1.00 0.00 C ATOM 1218 CG ASP A 76 1.614 -7.929 4.446 1.00 0.00 C ATOM 1219 OD1 ASP A 76 1.693 -8.219 5.658 1.00 0.00 O ATOM 1220 OD2 ASP A 76 1.073 -6.885 4.026 1.00 0.00 O ATOM 0 H ASP A 76 4.967 -7.607 4.059 1.00 0.00 H new ATOM 0 HA ASP A 76 3.796 -9.349 4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.125 -8.459 2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.622 -9.812 3.431 1.00 0.00 H new ATOM 1225 N GLY A 77 5.363 -10.760 2.924 1.00 0.00 N ATOM 1226 CA GLY A 77 5.844 -11.969 2.282 1.00 0.00 C ATOM 1227 C GLY A 77 5.315 -12.126 0.870 1.00 0.00 C ATOM 1228 O GLY A 77 5.185 -13.243 0.369 1.00 0.00 O ATOM 0 H GLY A 77 6.094 -10.137 3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.934 -11.955 2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.548 -12.834 2.876 1.00 0.00 H new ATOM 1232 N ARG A 78 5.007 -11.004 0.227 1.00 0.00 N ATOM 1233 CA ARG A 78 4.486 -11.022 -1.134 1.00 0.00 C ATOM 1234 C ARG A 78 5.143 -9.936 -1.982 1.00 0.00 C ATOM 1235 O ARG A 78 5.163 -8.766 -1.602 1.00 0.00 O ATOM 1236 CB ARG A 78 2.969 -10.829 -1.125 1.00 0.00 C ATOM 1237 CG ARG A 78 2.249 -11.610 -2.212 1.00 0.00 C ATOM 1238 CD ARG A 78 2.287 -10.877 -3.543 1.00 0.00 C ATOM 1239 NE ARG A 78 1.962 -11.757 -4.663 1.00 0.00 N ATOM 1240 CZ ARG A 78 2.773 -12.711 -5.107 1.00 0.00 C ATOM 1241 NH1 ARG A 78 3.950 -12.907 -4.529 1.00 0.00 N ATOM 1242 NH2 ARG A 78 2.406 -13.472 -6.130 1.00 0.00 N ATOM 0 H ARG A 78 5.109 -10.071 0.627 1.00 0.00 H new ATOM 0 HA ARG A 78 4.719 -11.992 -1.573 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.579 -11.131 -0.153 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.745 -9.769 -1.243 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.710 -12.591 -2.323 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.213 -11.776 -1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.582 -10.046 -3.519 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.279 -10.450 -3.693 1.00 0.00 H new ATOM 0 HE ARG A 78 1.064 -11.632 -5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.235 -12.325 -3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.571 -13.640 -4.872 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.501 -13.325 -6.576 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.029 -14.204 -6.470 1.00 0.00 H new ATOM 1256 N ASN A 79 5.679 -10.333 -3.131 1.00 0.00 N ATOM 1257 CA ASN A 79 6.338 -9.394 -4.032 1.00 0.00 C ATOM 1258 C ASN A 79 5.344 -8.369 -4.571 1.00 0.00 C ATOM 1259 O ASN A 79 4.339 -8.727 -5.186 1.00 0.00 O ATOM 1260 CB ASN A 79 6.994 -10.143 -5.193 1.00 0.00 C ATOM 1261 CG ASN A 79 7.787 -11.349 -4.728 1.00 0.00 C ATOM 1262 OD1 ASN A 79 7.243 -12.262 -4.107 1.00 0.00 O ATOM 1263 ND2 ASN A 79 9.081 -11.357 -5.027 1.00 0.00 N ATOM 0 H ASN A 79 5.670 -11.298 -3.461 1.00 0.00 H new ATOM 0 HA ASN A 79 7.107 -8.867 -3.468 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.225 -10.466 -5.895 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.654 -9.464 -5.733 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.666 -12.142 -4.740 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.490 -10.578 -5.544 1.00 0.00 H new ATOM 1270 N ILE A 80 5.632 -7.093 -4.335 1.00 0.00 N ATOM 1271 CA ILE A 80 4.765 -6.017 -4.798 1.00 0.00 C ATOM 1272 C ILE A 80 5.553 -4.977 -5.588 1.00 0.00 C ATOM 1273 O ILE A 80 6.784 -4.960 -5.556 1.00 0.00 O ATOM 1274 CB ILE A 80 4.055 -5.321 -3.622 1.00 0.00 C ATOM 1275 CG1 ILE A 80 5.050 -4.479 -2.822 1.00 0.00 C ATOM 1276 CG2 ILE A 80 3.383 -6.351 -2.725 1.00 0.00 C ATOM 1277 CD1 ILE A 80 4.390 -3.487 -1.890 1.00 0.00 C ATOM 0 H ILE A 80 6.459 -6.780 -3.826 1.00 0.00 H new ATOM 0 HA ILE A 80 4.016 -6.472 -5.446 1.00 0.00 H new ATOM 0 HB ILE A 80 3.287 -4.659 -4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.689 -5.143 -2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.697 -3.940 -3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.885 -5.844 -1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.648 -6.912 -3.302 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.134 -7.036 -2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.156 -2.925 -1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.773 -2.800 -2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.765 -4.021 -1.174 1.00 0.00 H new ATOM 1289 N ASP A 81 4.836 -4.110 -6.294 1.00 0.00 N ATOM 1290 CA ASP A 81 5.468 -3.064 -7.090 1.00 0.00 C ATOM 1291 C ASP A 81 4.544 -1.859 -7.234 1.00 0.00 C ATOM 1292 O ASP A 81 3.509 -1.915 -7.897 1.00 0.00 O ATOM 1293 CB ASP A 81 5.844 -3.602 -8.471 1.00 0.00 C ATOM 1294 CG ASP A 81 7.012 -2.855 -9.085 1.00 0.00 C ATOM 1295 OD1 ASP A 81 8.055 -2.726 -8.411 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.882 -2.398 -10.240 1.00 0.00 O ATOM 0 H ASP A 81 3.817 -4.111 -6.331 1.00 0.00 H new ATOM 0 HA ASP A 81 6.374 -2.745 -6.574 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.095 -4.660 -8.390 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.981 -3.529 -9.133 1.00 0.00 H new ATOM 1301 N PRO A 82 4.926 -0.741 -6.598 1.00 0.00 N ATOM 1302 CA PRO A 82 4.146 0.499 -6.640 1.00 0.00 C ATOM 1303 C PRO A 82 4.174 1.156 -8.016 1.00 0.00 C ATOM 1304 O PRO A 82 4.959 0.771 -8.883 1.00 0.00 O ATOM 1305 CB PRO A 82 4.841 1.391 -5.607 1.00 0.00 C ATOM 1306 CG PRO A 82 6.239 0.879 -5.545 1.00 0.00 C ATOM 1307 CD PRO A 82 6.149 -0.602 -5.789 1.00 0.00 C ATOM 0 HA PRO A 82 3.091 0.323 -6.431 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.816 2.438 -5.907 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.352 1.326 -4.635 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.865 1.361 -6.296 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.688 1.088 -4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.025 -0.976 -6.318 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.079 -1.160 -4.855 1.00 0.00 H new ATOM 1315 N LYS A 83 3.314 2.150 -8.210 1.00 0.00 N ATOM 1316 CA LYS A 83 3.241 2.862 -9.480 1.00 0.00 C ATOM 1317 C LYS A 83 2.897 4.332 -9.261 1.00 0.00 C ATOM 1318 O LYS A 83 2.137 4.688 -8.360 1.00 0.00 O ATOM 1319 CB LYS A 83 2.198 2.213 -10.393 1.00 0.00 C ATOM 1320 CG LYS A 83 2.567 0.808 -10.836 1.00 0.00 C ATOM 1321 CD LYS A 83 2.018 0.498 -12.219 1.00 0.00 C ATOM 1322 CE LYS A 83 0.631 -0.122 -12.142 1.00 0.00 C ATOM 1323 NZ LYS A 83 0.691 -1.607 -12.058 1.00 0.00 N ATOM 0 H LYS A 83 2.657 2.481 -7.503 1.00 0.00 H new ATOM 0 HA LYS A 83 4.219 2.804 -9.957 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.241 2.181 -9.872 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.060 2.838 -11.275 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.652 0.700 -10.841 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.178 0.085 -10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.976 1.414 -12.809 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.694 -0.183 -12.736 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.106 0.270 -11.271 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.054 0.169 -13.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.251 -1.980 -11.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.996 -1.994 -12.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.369 -1.886 -11.321 1.00 0.00 H new ATOM 1337 N PRO A 84 3.467 5.206 -10.103 1.00 0.00 N ATOM 1338 CA PRO A 84 3.233 6.651 -10.022 1.00 0.00 C ATOM 1339 C PRO A 84 1.814 7.032 -10.431 1.00 0.00 C ATOM 1340 O PRO A 84 1.466 8.213 -10.471 1.00 0.00 O ATOM 1341 CB PRO A 84 4.248 7.230 -11.010 1.00 0.00 C ATOM 1342 CG PRO A 84 4.502 6.130 -11.982 1.00 0.00 C ATOM 1343 CD PRO A 84 4.383 4.851 -11.200 1.00 0.00 C ATOM 0 HA PRO A 84 3.346 7.026 -9.005 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.854 8.116 -11.509 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.165 7.531 -10.504 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.781 6.157 -12.799 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.492 6.224 -12.428 1.00 0.00 H new ATOM 0 HD2 PRO A 84 3.983 4.042 -11.811 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.350 4.518 -10.824 1.00 0.00 H new ATOM 1351 N CYS A 85 1.000 6.027 -10.732 1.00 0.00 N ATOM 1352 CA CYS A 85 -0.382 6.258 -11.138 1.00 0.00 C ATOM 1353 C CYS A 85 -0.443 7.135 -12.384 1.00 0.00 C ATOM 1354 O CYS A 85 -1.326 7.984 -12.517 1.00 0.00 O ATOM 1355 CB CYS A 85 -1.167 6.911 -10.000 1.00 0.00 C ATOM 1356 SG CYS A 85 -1.205 5.938 -8.477 1.00 0.00 S ATOM 0 H CYS A 85 1.272 5.045 -10.703 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.832 5.294 -11.373 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.731 7.886 -9.785 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.190 7.086 -10.332 1.00 0.00 H new ATOM 0 HG CYS A 85 -0.023 5.932 -7.937 1.00 0.00 H new ATOM 1362 N THR A 86 0.503 6.928 -13.295 1.00 0.00 N ATOM 1363 CA THR A 86 0.558 7.702 -14.529 1.00 0.00 C ATOM 1364 C THR A 86 0.417 6.801 -15.750 1.00 0.00 C ATOM 1365 O THR A 86 0.735 5.612 -15.714 1.00 0.00 O ATOM 1366 CB THR A 86 1.876 8.492 -14.638 1.00 0.00 C ATOM 1367 OG1 THR A 86 2.987 7.632 -14.357 1.00 0.00 O ATOM 1368 CG2 THR A 86 1.883 9.668 -13.673 1.00 0.00 C ATOM 0 H THR A 86 1.242 6.231 -13.201 1.00 0.00 H new ATOM 0 HA THR A 86 -0.276 8.403 -14.500 1.00 0.00 H new ATOM 0 HB THR A 86 1.961 8.876 -15.655 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.821 8.141 -14.430 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.823 10.211 -13.768 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.054 10.335 -13.907 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.777 9.301 -12.652 1.00 0.00 H new