USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=22 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= 0.361 X(o=0.36,f=-0.051) 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 25:sc= 0.162 USER MOD Set 2.2: A 73 HIS :FLIP no HD1:sc= -3.69! C(o=-4.1!,f=-3.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -91:sc= 0.52 USER MOD Single : A 21 THR OG1 : rot -160:sc= 0.232 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 -56:sc= 0.298 USER MOD Single : A 32 GLN : amide:sc= -2.44! C(o=-2.4!,f=-3!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -147:sc= -3.96! USER MOD Single : A 42 MET CE :methyl -152:sc= 0 (180deg=-0.0295) USER MOD Single : A 45 LYS NZ :NH3+ -121:sc= -1.77! (180deg=-5.28!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 89:sc= 1.25 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 49 GLN : amide:sc= -1.13 K(o=-1.1,f=-6!) USER MOD Single : A 50 SER OG : rot 162:sc= 0.647 USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= -0.0102 (180deg=-0.144) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -3.48 K(o=-3.5,f=-8.4!) USER MOD Single : A 63 CYS SG : rot 170:sc= -0.0636 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 150:sc= 0 USER MOD Single : A 74 THR OG1 : rot -25:sc= 0.405 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.00018) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot -150:sc= -0.282 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.347 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 8 -2.926 12.497 -9.669 1.00 0.00 N ATOM 152 CA GLU A 8 -2.332 11.266 -9.160 1.00 0.00 C ATOM 153 C GLU A 8 -0.821 11.413 -9.008 1.00 0.00 C ATOM 154 O GLU A 8 -0.078 10.438 -9.119 1.00 0.00 O ATOM 155 CB GLU A 8 -2.651 10.096 -10.093 1.00 0.00 C ATOM 156 CG GLU A 8 -4.119 10.003 -10.473 1.00 0.00 C ATOM 157 CD GLU A 8 -4.380 8.958 -11.541 1.00 0.00 C ATOM 158 OE1 GLU A 8 -4.017 7.783 -11.322 1.00 0.00 O ATOM 159 OE2 GLU A 8 -4.946 9.315 -12.595 1.00 0.00 O ATOM 0 HA GLU A 8 -2.760 11.065 -8.178 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.055 10.193 -11.000 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.349 9.166 -9.612 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.706 9.765 -9.586 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.460 10.975 -10.830 1.00 0.00 H new ATOM 166 N ILE A 9 -0.374 12.639 -8.754 1.00 0.00 N ATOM 167 CA ILE A 9 1.047 12.914 -8.587 1.00 0.00 C ATOM 168 C ILE A 9 1.584 12.276 -7.310 1.00 0.00 C ATOM 169 O ILE A 9 2.505 11.461 -7.351 1.00 0.00 O ATOM 170 CB ILE A 9 1.327 14.428 -8.548 1.00 0.00 C ATOM 171 CG1 ILE A 9 0.744 15.108 -9.788 1.00 0.00 C ATOM 172 CG2 ILE A 9 2.823 14.688 -8.448 1.00 0.00 C ATOM 173 CD1 ILE A 9 0.911 16.612 -9.786 1.00 0.00 C ATOM 0 H ILE A 9 -0.976 13.457 -8.660 1.00 0.00 H new ATOM 0 HA ILE A 9 1.555 12.481 -9.448 1.00 0.00 H new ATOM 0 HB ILE A 9 0.846 14.849 -7.665 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.224 14.698 -10.677 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.317 14.868 -9.859 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.005 15.762 -8.421 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.212 14.232 -7.538 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.326 14.256 -9.313 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.475 17.028 -10.694 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.407 17.033 -8.916 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.972 16.860 -9.746 1.00 0.00 H new ATOM 185 N GLY A 10 0.999 12.651 -6.177 1.00 0.00 N ATOM 186 CA GLY A 10 1.431 12.104 -4.903 1.00 0.00 C ATOM 187 C GLY A 10 0.802 10.757 -4.608 1.00 0.00 C ATOM 188 O GLY A 10 0.857 10.272 -3.477 1.00 0.00 O ATOM 0 H GLY A 10 0.234 13.323 -6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.516 12.003 -4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.177 12.803 -4.106 1.00 0.00 H new ATOM 192 N LYS A 11 0.200 10.151 -5.625 1.00 0.00 N ATOM 193 CA LYS A 11 -0.444 8.852 -5.470 1.00 0.00 C ATOM 194 C LYS A 11 0.499 7.725 -5.881 1.00 0.00 C ATOM 195 O LYS A 11 1.393 7.920 -6.706 1.00 0.00 O ATOM 196 CB LYS A 11 -1.724 8.790 -6.307 1.00 0.00 C ATOM 197 CG LYS A 11 -2.672 7.680 -5.888 1.00 0.00 C ATOM 198 CD LYS A 11 -4.084 7.934 -6.388 1.00 0.00 C ATOM 199 CE LYS A 11 -4.718 9.124 -5.686 1.00 0.00 C ATOM 200 NZ LYS A 11 -6.178 9.220 -5.968 1.00 0.00 N ATOM 0 H LYS A 11 0.144 10.539 -6.567 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.699 8.725 -4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.243 9.746 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.457 8.652 -7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.313 6.727 -6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.679 7.598 -4.801 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.064 8.113 -7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.694 7.046 -6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.560 9.038 -4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.225 10.041 -6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.574 10.044 -5.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.328 9.328 -6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.653 8.356 -5.638 1.00 0.00 H new ATOM 214 N LEU A 12 0.294 6.547 -5.302 1.00 0.00 N ATOM 215 CA LEU A 12 1.125 5.388 -5.610 1.00 0.00 C ATOM 216 C LEU A 12 0.279 4.123 -5.711 1.00 0.00 C ATOM 217 O LEU A 12 -0.279 3.655 -4.718 1.00 0.00 O ATOM 218 CB LEU A 12 2.203 5.211 -4.539 1.00 0.00 C ATOM 219 CG LEU A 12 3.409 4.359 -4.936 1.00 0.00 C ATOM 220 CD1 LEU A 12 4.276 5.099 -5.943 1.00 0.00 C ATOM 221 CD2 LEU A 12 4.222 3.980 -3.706 1.00 0.00 C ATOM 0 H LEU A 12 -0.440 6.369 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 12 1.604 5.560 -6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.561 6.198 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.742 4.764 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 12 3.046 3.444 -5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.130 4.478 -6.214 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.690 5.320 -6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.631 6.031 -5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.076 3.374 -4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.575 4.884 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.597 3.410 -3.018 1.00 0.00 H new ATOM 233 N PHE A 13 0.190 3.572 -6.917 1.00 0.00 N ATOM 234 CA PHE A 13 -0.587 2.360 -7.148 1.00 0.00 C ATOM 235 C PHE A 13 0.271 1.116 -6.937 1.00 0.00 C ATOM 236 O PHE A 13 1.174 0.830 -7.722 1.00 0.00 O ATOM 237 CB PHE A 13 -1.164 2.360 -8.565 1.00 0.00 C ATOM 238 CG PHE A 13 -1.684 1.021 -9.002 1.00 0.00 C ATOM 239 CD1 PHE A 13 -0.831 0.077 -9.550 1.00 0.00 C ATOM 240 CD2 PHE A 13 -3.026 0.705 -8.862 1.00 0.00 C ATOM 241 CE1 PHE A 13 -1.307 -1.156 -9.953 1.00 0.00 C ATOM 242 CE2 PHE A 13 -3.508 -0.527 -9.263 1.00 0.00 C ATOM 243 CZ PHE A 13 -2.647 -1.459 -9.808 1.00 0.00 C ATOM 0 H PHE A 13 0.646 3.946 -7.749 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.407 2.342 -6.430 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.972 3.090 -8.619 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.393 2.686 -9.263 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.218 0.307 -9.664 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.703 1.430 -8.435 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.632 -1.882 -10.381 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.556 -0.760 -9.150 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.021 -2.423 -10.120 1.00 0.00 H new ATOM 253 N VAL A 14 -0.018 0.379 -5.869 1.00 0.00 N ATOM 254 CA VAL A 14 0.725 -0.835 -5.553 1.00 0.00 C ATOM 255 C VAL A 14 0.131 -2.044 -6.265 1.00 0.00 C ATOM 256 O VAL A 14 -1.032 -2.390 -6.060 1.00 0.00 O ATOM 257 CB VAL A 14 0.743 -1.103 -4.036 1.00 0.00 C ATOM 258 CG1 VAL A 14 1.645 -2.285 -3.714 1.00 0.00 C ATOM 259 CG2 VAL A 14 1.188 0.139 -3.281 1.00 0.00 C ATOM 0 H VAL A 14 -0.762 0.602 -5.208 1.00 0.00 H new ATOM 0 HA VAL A 14 1.747 -0.680 -5.899 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.269 -1.351 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.646 -2.460 -2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.276 -3.174 -4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.660 -2.069 -4.047 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.195 -0.069 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.191 0.420 -3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.498 0.957 -3.487 1.00 0.00 H new ATOM 269 N GLY A 15 0.938 -2.686 -7.105 1.00 0.00 N ATOM 270 CA GLY A 15 0.475 -3.851 -7.835 1.00 0.00 C ATOM 271 C GLY A 15 1.168 -5.125 -7.395 1.00 0.00 C ATOM 272 O GLY A 15 2.381 -5.264 -7.544 1.00 0.00 O ATOM 0 H GLY A 15 1.905 -2.419 -7.293 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.601 -3.959 -7.695 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.644 -3.699 -8.901 1.00 0.00 H new ATOM 276 N GLY A 16 0.395 -6.059 -6.848 1.00 0.00 N ATOM 277 CA GLY A 16 0.960 -7.315 -6.391 1.00 0.00 C ATOM 278 C GLY A 16 0.721 -7.555 -4.913 1.00 0.00 C ATOM 279 O GLY A 16 1.575 -8.112 -4.221 1.00 0.00 O ATOM 0 H GLY A 16 -0.612 -5.968 -6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.526 -8.135 -6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.032 -7.321 -6.588 1.00 0.00 H new ATOM 283 N LEU A 17 -0.441 -7.134 -4.428 1.00 0.00 N ATOM 284 CA LEU A 17 -0.790 -7.304 -3.022 1.00 0.00 C ATOM 285 C LEU A 17 -1.131 -8.760 -2.718 1.00 0.00 C ATOM 286 O LEU A 17 -1.144 -9.604 -3.613 1.00 0.00 O ATOM 287 CB LEU A 17 -1.972 -6.405 -2.656 1.00 0.00 C ATOM 288 CG LEU A 17 -1.652 -4.922 -2.463 1.00 0.00 C ATOM 289 CD1 LEU A 17 -1.143 -4.665 -1.053 1.00 0.00 C ATOM 290 CD2 LEU A 17 -0.634 -4.457 -3.493 1.00 0.00 C ATOM 0 H LEU A 17 -1.158 -6.672 -4.987 1.00 0.00 H new ATOM 0 HA LEU A 17 0.074 -7.019 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.727 -6.495 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.419 -6.783 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.569 -4.351 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.920 -3.605 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.906 -4.959 -0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.238 -5.247 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.419 -3.399 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.284 -5.034 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.037 -4.604 -4.495 1.00 0.00 H new ATOM 302 N ASP A 18 -1.409 -9.044 -1.450 1.00 0.00 N ATOM 303 CA ASP A 18 -1.754 -10.397 -1.029 1.00 0.00 C ATOM 304 C ASP A 18 -3.035 -10.398 -0.200 1.00 0.00 C ATOM 305 O ASP A 18 -3.213 -9.563 0.686 1.00 0.00 O ATOM 306 CB ASP A 18 -0.609 -11.010 -0.221 1.00 0.00 C ATOM 307 CG ASP A 18 -0.666 -12.525 -0.193 1.00 0.00 C ATOM 308 OD1 ASP A 18 -0.815 -13.133 -1.273 1.00 0.00 O ATOM 309 OD2 ASP A 18 -0.560 -13.102 0.909 1.00 0.00 O ATOM 0 H ASP A 18 -1.402 -8.356 -0.697 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.920 -10.998 -1.923 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.343 -10.693 -0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.644 -10.629 0.800 1.00 0.00 H new ATOM 314 N TRP A 19 -3.923 -11.340 -0.496 1.00 0.00 N ATOM 315 CA TRP A 19 -5.189 -11.448 0.221 1.00 0.00 C ATOM 316 C TRP A 19 -5.007 -11.122 1.699 1.00 0.00 C ATOM 317 O TRP A 19 -5.889 -10.539 2.329 1.00 0.00 O ATOM 318 CB TRP A 19 -5.769 -12.855 0.063 1.00 0.00 C ATOM 319 CG TRP A 19 -4.878 -13.929 0.611 1.00 0.00 C ATOM 320 CD1 TRP A 19 -3.784 -14.475 0.004 1.00 0.00 C ATOM 321 CD2 TRP A 19 -5.008 -14.588 1.876 1.00 0.00 C ATOM 322 NE1 TRP A 19 -3.225 -15.434 0.814 1.00 0.00 N ATOM 323 CE2 TRP A 19 -3.958 -15.522 1.969 1.00 0.00 C ATOM 324 CE3 TRP A 19 -5.909 -14.479 2.939 1.00 0.00 C ATOM 325 CZ2 TRP A 19 -3.786 -16.340 3.082 1.00 0.00 C ATOM 326 CZ3 TRP A 19 -5.737 -15.292 4.043 1.00 0.00 C ATOM 327 CH2 TRP A 19 -4.682 -16.212 4.108 1.00 0.00 C ATOM 0 H TRP A 19 -3.790 -12.039 -1.227 1.00 0.00 H new ATOM 0 HA TRP A 19 -5.884 -10.726 -0.207 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -6.734 -12.901 0.567 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -5.952 -13.048 -0.994 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -3.412 -14.194 -0.970 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -2.399 -15.990 0.592 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.725 -13.772 2.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -2.974 -17.050 3.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -6.428 -15.217 4.870 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -4.574 -16.832 4.985 1.00 0.00 H new ATOM 338 N SER A 20 -3.857 -11.503 2.247 1.00 0.00 N ATOM 339 CA SER A 20 -3.562 -11.254 3.653 1.00 0.00 C ATOM 340 C SER A 20 -3.241 -9.781 3.888 1.00 0.00 C ATOM 341 O SER A 20 -3.709 -9.178 4.855 1.00 0.00 O ATOM 342 CB SER A 20 -2.388 -12.123 4.111 1.00 0.00 C ATOM 343 OG SER A 20 -1.191 -11.751 3.452 1.00 0.00 O ATOM 0 H SER A 20 -3.115 -11.985 1.739 1.00 0.00 H new ATOM 0 HA SER A 20 -4.446 -11.513 4.236 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.259 -12.026 5.189 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.607 -13.172 3.909 1.00 0.00 H new ATOM 0 HG SER A 20 -1.090 -12.281 2.634 1.00 0.00 H new ATOM 349 N THR A 21 -2.438 -9.207 2.997 1.00 0.00 N ATOM 350 CA THR A 21 -2.053 -7.806 3.107 1.00 0.00 C ATOM 351 C THR A 21 -3.225 -6.948 3.569 1.00 0.00 C ATOM 352 O THR A 21 -4.345 -7.090 3.077 1.00 0.00 O ATOM 353 CB THR A 21 -1.530 -7.261 1.765 1.00 0.00 C ATOM 354 OG1 THR A 21 -0.537 -8.144 1.230 1.00 0.00 O ATOM 355 CG2 THR A 21 -0.937 -5.871 1.939 1.00 0.00 C ATOM 0 H THR A 21 -2.042 -9.691 2.191 1.00 0.00 H new ATOM 0 HA THR A 21 -1.255 -7.755 3.848 1.00 0.00 H new ATOM 0 HB THR A 21 -2.370 -7.197 1.073 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.008 -7.663 0.572 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.574 -5.507 0.978 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.702 -5.194 2.318 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.109 -5.915 2.646 1.00 0.00 H new ATOM 363 N THR A 22 -2.961 -6.055 4.518 1.00 0.00 N ATOM 364 CA THR A 22 -3.994 -5.173 5.047 1.00 0.00 C ATOM 365 C THR A 22 -3.636 -3.709 4.820 1.00 0.00 C ATOM 366 O THR A 22 -2.508 -3.387 4.449 1.00 0.00 O ATOM 367 CB THR A 22 -4.217 -5.409 6.552 1.00 0.00 C ATOM 368 OG1 THR A 22 -2.967 -5.347 7.248 1.00 0.00 O ATOM 369 CG2 THR A 22 -4.873 -6.759 6.797 1.00 0.00 C ATOM 0 H THR A 22 -2.040 -5.924 4.936 1.00 0.00 H new ATOM 0 HA THR A 22 -4.914 -5.406 4.511 1.00 0.00 H new ATOM 0 HB THR A 22 -4.880 -4.628 6.925 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.118 -5.496 8.205 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.020 -6.903 7.867 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.837 -6.792 6.290 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.232 -7.551 6.409 1.00 0.00 H new ATOM 377 N GLN A 23 -4.604 -2.826 5.047 1.00 0.00 N ATOM 378 CA GLN A 23 -4.389 -1.395 4.868 1.00 0.00 C ATOM 379 C GLN A 23 -3.529 -0.828 5.993 1.00 0.00 C ATOM 380 O GLN A 23 -2.700 0.052 5.769 1.00 0.00 O ATOM 381 CB GLN A 23 -5.729 -0.660 4.813 1.00 0.00 C ATOM 382 CG GLN A 23 -6.318 -0.570 3.415 1.00 0.00 C ATOM 383 CD GLN A 23 -7.785 -0.188 3.423 1.00 0.00 C ATOM 384 OE1 GLN A 23 -8.657 -1.032 3.635 1.00 0.00 O ATOM 385 NE2 GLN A 23 -8.066 1.088 3.190 1.00 0.00 N ATOM 0 H GLN A 23 -5.544 -3.076 5.355 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.863 -1.247 3.925 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.439 -1.168 5.465 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.598 0.347 5.208 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.758 0.165 2.836 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.199 -1.530 2.912 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.312 1.753 3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.036 1.403 3.182 1.00 0.00 H new ATOM 394 N GLU A 24 -3.734 -1.340 7.203 1.00 0.00 N ATOM 395 CA GLU A 24 -2.978 -0.882 8.363 1.00 0.00 C ATOM 396 C GLU A 24 -1.480 -1.080 8.148 1.00 0.00 C ATOM 397 O GLU A 24 -0.715 -0.116 8.101 1.00 0.00 O ATOM 398 CB GLU A 24 -3.427 -1.631 9.619 1.00 0.00 C ATOM 399 CG GLU A 24 -4.593 -0.972 10.336 1.00 0.00 C ATOM 400 CD GLU A 24 -4.227 0.375 10.930 1.00 0.00 C ATOM 401 OE1 GLU A 24 -3.026 0.603 11.186 1.00 0.00 O ATOM 402 OE2 GLU A 24 -5.141 1.200 11.138 1.00 0.00 O ATOM 0 H GLU A 24 -4.416 -2.071 7.405 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.171 0.183 8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.708 -2.648 9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.585 -1.708 10.307 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.419 -0.844 9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.946 -1.631 11.129 1.00 0.00 H new ATOM 409 N THR A 25 -1.067 -2.337 8.018 1.00 0.00 N ATOM 410 CA THR A 25 0.338 -2.662 7.810 1.00 0.00 C ATOM 411 C THR A 25 0.873 -2.003 6.544 1.00 0.00 C ATOM 412 O THR A 25 1.999 -1.504 6.519 1.00 0.00 O ATOM 413 CB THR A 25 0.554 -4.184 7.715 1.00 0.00 C ATOM 414 OG1 THR A 25 0.162 -4.812 8.940 1.00 0.00 O ATOM 415 CG2 THR A 25 2.011 -4.506 7.417 1.00 0.00 C ATOM 0 H THR A 25 -1.686 -3.147 8.053 1.00 0.00 H new ATOM 0 HA THR A 25 0.883 -2.279 8.673 1.00 0.00 H new ATOM 0 HB THR A 25 -0.060 -4.566 6.899 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.301 -5.780 8.871 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.139 -5.587 7.354 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.298 -4.051 6.469 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.641 -4.111 8.214 1.00 0.00 H new ATOM 423 N LEU A 26 0.060 -2.004 5.493 1.00 0.00 N ATOM 424 CA LEU A 26 0.452 -1.405 4.222 1.00 0.00 C ATOM 425 C LEU A 26 0.838 0.059 4.406 1.00 0.00 C ATOM 426 O LEU A 26 1.826 0.526 3.840 1.00 0.00 O ATOM 427 CB LEU A 26 -0.688 -1.521 3.208 1.00 0.00 C ATOM 428 CG LEU A 26 -0.433 -0.895 1.837 1.00 0.00 C ATOM 429 CD1 LEU A 26 0.722 -1.594 1.137 1.00 0.00 C ATOM 430 CD2 LEU A 26 -1.691 -0.952 0.982 1.00 0.00 C ATOM 0 H LEU A 26 -0.874 -2.413 5.496 1.00 0.00 H new ATOM 0 HA LEU A 26 1.321 -1.946 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.915 -2.578 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.577 -1.059 3.637 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.163 0.151 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.889 -1.135 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.624 -1.500 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.482 -2.649 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.491 -0.502 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.992 -1.991 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.493 -0.404 1.477 1.00 0.00 H new ATOM 442 N ARG A 27 0.052 0.777 5.201 1.00 0.00 N ATOM 443 CA ARG A 27 0.312 2.188 5.460 1.00 0.00 C ATOM 444 C ARG A 27 1.733 2.393 5.976 1.00 0.00 C ATOM 445 O ARG A 27 2.515 3.140 5.388 1.00 0.00 O ATOM 446 CB ARG A 27 -0.694 2.736 6.475 1.00 0.00 C ATOM 447 CG ARG A 27 -2.072 2.992 5.888 1.00 0.00 C ATOM 448 CD ARG A 27 -3.130 3.099 6.976 1.00 0.00 C ATOM 449 NE ARG A 27 -4.356 3.725 6.488 1.00 0.00 N ATOM 450 CZ ARG A 27 -4.478 5.029 6.267 1.00 0.00 C ATOM 451 NH1 ARG A 27 -3.453 5.841 6.489 1.00 0.00 N ATOM 452 NH2 ARG A 27 -5.626 5.523 5.823 1.00 0.00 N ATOM 0 H ARG A 27 -0.770 0.405 5.677 1.00 0.00 H new ATOM 0 HA ARG A 27 0.203 2.730 4.521 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.785 2.030 7.301 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.307 3.666 6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.055 3.912 5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.333 2.185 5.203 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.358 2.104 7.358 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.735 3.678 7.810 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.163 3.128 6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.569 5.464 6.830 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.549 6.842 6.319 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.416 4.901 5.651 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.719 6.525 5.654 1.00 0.00 H new ATOM 466 N SER A 28 2.060 1.725 7.078 1.00 0.00 N ATOM 467 CA SER A 28 3.386 1.838 7.675 1.00 0.00 C ATOM 468 C SER A 28 4.468 1.444 6.673 1.00 0.00 C ATOM 469 O SER A 28 5.421 2.190 6.447 1.00 0.00 O ATOM 470 CB SER A 28 3.483 0.956 8.921 1.00 0.00 C ATOM 471 OG SER A 28 3.029 1.647 10.072 1.00 0.00 O ATOM 0 H SER A 28 1.425 1.100 7.575 1.00 0.00 H new ATOM 0 HA SER A 28 3.542 2.878 7.961 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.890 0.053 8.778 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.516 0.640 9.067 1.00 0.00 H new ATOM 0 HG SER A 28 3.100 1.061 10.854 1.00 0.00 H new ATOM 477 N TYR A 29 4.313 0.268 6.077 1.00 0.00 N ATOM 478 CA TYR A 29 5.277 -0.228 5.102 1.00 0.00 C ATOM 479 C TYR A 29 5.722 0.888 4.161 1.00 0.00 C ATOM 480 O TYR A 29 6.907 1.019 3.851 1.00 0.00 O ATOM 481 CB TYR A 29 4.673 -1.379 4.296 1.00 0.00 C ATOM 482 CG TYR A 29 5.625 -1.973 3.282 1.00 0.00 C ATOM 483 CD1 TYR A 29 6.629 -2.850 3.673 1.00 0.00 C ATOM 484 CD2 TYR A 29 5.519 -1.657 1.933 1.00 0.00 C ATOM 485 CE1 TYR A 29 7.501 -3.394 2.750 1.00 0.00 C ATOM 486 CE2 TYR A 29 6.386 -2.198 1.003 1.00 0.00 C ATOM 487 CZ TYR A 29 7.375 -3.065 1.416 1.00 0.00 C ATOM 488 OH TYR A 29 8.241 -3.607 0.494 1.00 0.00 O ATOM 0 H TYR A 29 3.529 -0.360 6.252 1.00 0.00 H new ATOM 0 HA TYR A 29 6.150 -0.592 5.644 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.351 -2.162 4.982 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.782 -1.022 3.780 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.729 -3.111 4.716 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.746 -0.977 1.606 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.277 -4.073 3.071 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.289 -1.943 -0.042 1.00 0.00 H new ATOM 0 HH TYR A 29 8.594 -4.455 0.836 1.00 0.00 H new ATOM 498 N PHE A 30 4.764 1.691 3.711 1.00 0.00 N ATOM 499 CA PHE A 30 5.056 2.796 2.805 1.00 0.00 C ATOM 500 C PHE A 30 5.355 4.073 3.584 1.00 0.00 C ATOM 501 O PHE A 30 6.052 4.963 3.095 1.00 0.00 O ATOM 502 CB PHE A 30 3.879 3.029 1.855 1.00 0.00 C ATOM 503 CG PHE A 30 3.945 2.200 0.604 1.00 0.00 C ATOM 504 CD1 PHE A 30 4.758 2.579 -0.452 1.00 0.00 C ATOM 505 CD2 PHE A 30 3.193 1.042 0.485 1.00 0.00 C ATOM 506 CE1 PHE A 30 4.821 1.818 -1.604 1.00 0.00 C ATOM 507 CE2 PHE A 30 3.253 0.277 -0.665 1.00 0.00 C ATOM 508 CZ PHE A 30 4.067 0.666 -1.711 1.00 0.00 C ATOM 0 H PHE A 30 3.779 1.598 3.959 1.00 0.00 H new ATOM 0 HA PHE A 30 5.938 2.532 2.222 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.950 2.807 2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.847 4.084 1.581 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.349 3.479 -0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.554 0.734 1.299 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.459 2.124 -2.420 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.664 -0.624 -0.746 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.114 0.070 -2.611 1.00 0.00 H new ATOM 518 N SER A 31 4.824 4.156 4.800 1.00 0.00 N ATOM 519 CA SER A 31 5.030 5.326 5.646 1.00 0.00 C ATOM 520 C SER A 31 6.517 5.565 5.889 1.00 0.00 C ATOM 521 O SER A 31 6.966 6.708 5.974 1.00 0.00 O ATOM 522 CB SER A 31 4.305 5.149 6.981 1.00 0.00 C ATOM 523 OG SER A 31 5.119 4.464 7.917 1.00 0.00 O ATOM 0 H SER A 31 4.248 3.427 5.221 1.00 0.00 H new ATOM 0 HA SER A 31 4.620 6.194 5.130 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.029 6.125 7.380 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.380 4.595 6.825 1.00 0.00 H new ATOM 0 HG SER A 31 5.402 3.606 7.538 1.00 0.00 H new ATOM 529 N GLN A 32 7.274 4.478 6.000 1.00 0.00 N ATOM 530 CA GLN A 32 8.710 4.570 6.234 1.00 0.00 C ATOM 531 C GLN A 32 9.389 5.392 5.143 1.00 0.00 C ATOM 532 O GLN A 32 10.428 6.010 5.373 1.00 0.00 O ATOM 533 CB GLN A 32 9.328 3.172 6.294 1.00 0.00 C ATOM 534 CG GLN A 32 8.717 2.193 5.304 1.00 0.00 C ATOM 535 CD GLN A 32 9.691 1.113 4.875 1.00 0.00 C ATOM 536 OE1 GLN A 32 10.854 1.390 4.584 1.00 0.00 O ATOM 537 NE2 GLN A 32 9.219 -0.128 4.835 1.00 0.00 N ATOM 0 H GLN A 32 6.917 3.525 5.932 1.00 0.00 H new ATOM 0 HA GLN A 32 8.865 5.071 7.190 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.398 3.249 6.103 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.212 2.776 7.303 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.839 1.728 5.753 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.374 2.738 4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.247 -0.312 5.085 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.828 -0.897 4.555 1.00 0.00 H new ATOM 546 N TYR A 33 8.794 5.393 3.955 1.00 0.00 N ATOM 547 CA TYR A 33 9.343 6.137 2.827 1.00 0.00 C ATOM 548 C TYR A 33 8.770 7.550 2.776 1.00 0.00 C ATOM 549 O TYR A 33 9.505 8.526 2.639 1.00 0.00 O ATOM 550 CB TYR A 33 9.048 5.407 1.516 1.00 0.00 C ATOM 551 CG TYR A 33 9.631 4.013 1.455 1.00 0.00 C ATOM 552 CD1 TYR A 33 8.923 2.921 1.940 1.00 0.00 C ATOM 553 CD2 TYR A 33 10.891 3.789 0.912 1.00 0.00 C ATOM 554 CE1 TYR A 33 9.452 1.646 1.887 1.00 0.00 C ATOM 555 CE2 TYR A 33 11.427 2.517 0.854 1.00 0.00 C ATOM 556 CZ TYR A 33 10.704 1.449 1.342 1.00 0.00 C ATOM 557 OH TYR A 33 11.235 0.181 1.287 1.00 0.00 O ATOM 0 H TYR A 33 7.932 4.888 3.748 1.00 0.00 H new ATOM 0 HA TYR A 33 10.422 6.207 2.961 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.968 5.347 1.378 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.443 5.994 0.686 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.942 3.071 2.366 1.00 0.00 H new ATOM 0 HD2 TYR A 33 11.460 4.623 0.529 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.889 0.808 2.270 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.407 2.360 0.429 1.00 0.00 H new ATOM 0 HH TYR A 33 12.123 0.216 0.873 1.00 0.00 H new ATOM 567 N GLY A 34 7.448 7.650 2.887 1.00 0.00 N ATOM 568 CA GLY A 34 6.797 8.946 2.851 1.00 0.00 C ATOM 569 C GLY A 34 5.561 8.998 3.728 1.00 0.00 C ATOM 570 O GLY A 34 4.853 8.002 3.872 1.00 0.00 O ATOM 0 H GLY A 34 6.817 6.857 3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.501 9.712 3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.520 9.182 1.823 1.00 0.00 H new ATOM 574 N GLU A 35 5.303 10.162 4.315 1.00 0.00 N ATOM 575 CA GLU A 35 4.145 10.338 5.184 1.00 0.00 C ATOM 576 C GLU A 35 2.863 9.914 4.475 1.00 0.00 C ATOM 577 O GLU A 35 2.320 10.655 3.655 1.00 0.00 O ATOM 578 CB GLU A 35 4.034 11.797 5.634 1.00 0.00 C ATOM 579 CG GLU A 35 2.670 12.158 6.196 1.00 0.00 C ATOM 580 CD GLU A 35 2.740 13.260 7.235 1.00 0.00 C ATOM 581 OE1 GLU A 35 3.621 14.137 7.112 1.00 0.00 O ATOM 582 OE2 GLU A 35 1.914 13.246 8.171 1.00 0.00 O ATOM 0 H GLU A 35 5.879 10.996 4.205 1.00 0.00 H new ATOM 0 HA GLU A 35 4.281 9.704 6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.793 11.994 6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.252 12.447 4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.017 12.473 5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.219 11.272 6.642 1.00 0.00 H new ATOM 589 N VAL A 36 2.384 8.717 4.796 1.00 0.00 N ATOM 590 CA VAL A 36 1.165 8.193 4.191 1.00 0.00 C ATOM 591 C VAL A 36 -0.045 9.039 4.571 1.00 0.00 C ATOM 592 O VAL A 36 -0.359 9.198 5.751 1.00 0.00 O ATOM 593 CB VAL A 36 0.911 6.734 4.613 1.00 0.00 C ATOM 594 CG1 VAL A 36 -0.414 6.239 4.054 1.00 0.00 C ATOM 595 CG2 VAL A 36 2.057 5.841 4.160 1.00 0.00 C ATOM 0 H VAL A 36 2.822 8.091 5.472 1.00 0.00 H new ATOM 0 HA VAL A 36 1.306 8.231 3.111 1.00 0.00 H new ATOM 0 HB VAL A 36 0.857 6.693 5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.576 5.206 4.363 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.224 6.862 4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.393 6.293 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.861 4.814 4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.145 5.885 3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.987 6.184 4.614 1.00 0.00 H new ATOM 605 N VAL A 37 -0.722 9.580 3.563 1.00 0.00 N ATOM 606 CA VAL A 37 -1.900 10.409 3.792 1.00 0.00 C ATOM 607 C VAL A 37 -3.178 9.582 3.712 1.00 0.00 C ATOM 608 O VAL A 37 -4.111 9.785 4.489 1.00 0.00 O ATOM 609 CB VAL A 37 -1.981 11.560 2.772 1.00 0.00 C ATOM 610 CG1 VAL A 37 -2.884 12.670 3.290 1.00 0.00 C ATOM 611 CG2 VAL A 37 -0.592 12.094 2.459 1.00 0.00 C ATOM 0 H VAL A 37 -0.475 9.459 2.581 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.804 10.827 4.794 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.413 11.174 1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.929 13.475 2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.886 12.275 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.484 13.056 4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.669 12.907 1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.130 12.464 3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.020 11.294 2.042 1.00 0.00 H new ATOM 621 N ASP A 38 -3.213 8.648 2.767 1.00 0.00 N ATOM 622 CA ASP A 38 -4.377 7.788 2.586 1.00 0.00 C ATOM 623 C ASP A 38 -3.978 6.462 1.945 1.00 0.00 C ATOM 624 O ASP A 38 -3.347 6.437 0.888 1.00 0.00 O ATOM 625 CB ASP A 38 -5.427 8.490 1.724 1.00 0.00 C ATOM 626 CG ASP A 38 -6.838 8.038 2.047 1.00 0.00 C ATOM 627 OD1 ASP A 38 -7.032 6.829 2.293 1.00 0.00 O ATOM 628 OD2 ASP A 38 -7.747 8.893 2.055 1.00 0.00 O ATOM 0 H ASP A 38 -2.449 8.467 2.115 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.803 7.583 3.568 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.351 9.568 1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.218 8.296 0.672 1.00 0.00 H new ATOM 633 N CYS A 39 -4.349 5.363 2.592 1.00 0.00 N ATOM 634 CA CYS A 39 -4.029 4.033 2.087 1.00 0.00 C ATOM 635 C CYS A 39 -5.299 3.261 1.744 1.00 0.00 C ATOM 636 O CYS A 39 -6.240 3.211 2.536 1.00 0.00 O ATOM 637 CB CYS A 39 -3.208 3.257 3.118 1.00 0.00 C ATOM 638 SG CYS A 39 -3.005 1.503 2.730 1.00 0.00 S ATOM 0 H CYS A 39 -4.872 5.367 3.468 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.440 4.149 1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.223 3.716 3.202 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.687 3.350 4.093 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.959 0.817 3.833 1.00 0.00 H new ATOM 644 N VAL A 40 -5.319 2.661 0.558 1.00 0.00 N ATOM 645 CA VAL A 40 -6.473 1.892 0.109 1.00 0.00 C ATOM 646 C VAL A 40 -6.048 0.537 -0.445 1.00 0.00 C ATOM 647 O VAL A 40 -5.020 0.423 -1.113 1.00 0.00 O ATOM 648 CB VAL A 40 -7.268 2.650 -0.971 1.00 0.00 C ATOM 649 CG1 VAL A 40 -8.578 1.938 -1.268 1.00 0.00 C ATOM 650 CG2 VAL A 40 -7.519 4.087 -0.536 1.00 0.00 C ATOM 0 H VAL A 40 -4.548 2.693 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.111 1.742 0.980 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.677 2.669 -1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.126 2.488 -2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.371 0.929 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.178 1.886 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.082 4.609 -1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.090 4.092 0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.566 4.591 -0.379 1.00 0.00 H new ATOM 660 N ILE A 41 -6.847 -0.487 -0.165 1.00 0.00 N ATOM 661 CA ILE A 41 -6.555 -1.835 -0.638 1.00 0.00 C ATOM 662 C ILE A 41 -7.795 -2.488 -1.237 1.00 0.00 C ATOM 663 O ILE A 41 -8.669 -2.964 -0.513 1.00 0.00 O ATOM 664 CB ILE A 41 -6.017 -2.725 0.498 1.00 0.00 C ATOM 665 CG1 ILE A 41 -4.664 -2.204 0.987 1.00 0.00 C ATOM 666 CG2 ILE A 41 -5.896 -4.167 0.028 1.00 0.00 C ATOM 667 CD1 ILE A 41 -4.011 -3.094 2.021 1.00 0.00 C ATOM 0 H ILE A 41 -7.701 -0.409 0.387 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.790 -1.741 -1.408 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.720 -2.691 1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.994 -2.100 0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.799 -1.208 1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.515 -4.784 0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.876 -4.534 -0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.210 -4.218 -0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.056 -2.663 2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.661 -3.178 2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.844 -4.084 1.596 1.00 0.00 H new ATOM 679 N MET A 42 -7.864 -2.509 -2.564 1.00 0.00 N ATOM 680 CA MET A 42 -8.997 -3.108 -3.261 1.00 0.00 C ATOM 681 C MET A 42 -9.233 -4.538 -2.786 1.00 0.00 C ATOM 682 O MET A 42 -8.286 -5.295 -2.567 1.00 0.00 O ATOM 683 CB MET A 42 -8.759 -3.092 -4.772 1.00 0.00 C ATOM 684 CG MET A 42 -8.524 -1.700 -5.336 1.00 0.00 C ATOM 685 SD MET A 42 -10.055 -0.880 -5.820 1.00 0.00 S ATOM 686 CE MET A 42 -10.299 0.228 -4.434 1.00 0.00 C ATOM 0 H MET A 42 -7.149 -2.118 -3.178 1.00 0.00 H new ATOM 0 HA MET A 42 -9.885 -2.518 -3.034 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.897 -3.719 -5.002 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.619 -3.537 -5.272 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.011 -1.092 -4.591 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.864 -1.769 -6.201 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.364 0.424 -4.308 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.905 -0.231 -3.527 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.777 1.166 -4.622 1.00 0.00 H new ATOM 696 N LYS A 43 -10.501 -4.903 -2.628 1.00 0.00 N ATOM 697 CA LYS A 43 -10.862 -6.243 -2.180 1.00 0.00 C ATOM 698 C LYS A 43 -11.933 -6.847 -3.083 1.00 0.00 C ATOM 699 O LYS A 43 -12.457 -6.179 -3.974 1.00 0.00 O ATOM 700 CB LYS A 43 -11.362 -6.202 -0.735 1.00 0.00 C ATOM 701 CG LYS A 43 -10.256 -6.357 0.296 1.00 0.00 C ATOM 702 CD LYS A 43 -10.610 -5.666 1.601 1.00 0.00 C ATOM 703 CE LYS A 43 -9.364 -5.283 2.385 1.00 0.00 C ATOM 704 NZ LYS A 43 -9.682 -4.386 3.530 1.00 0.00 N ATOM 0 H LYS A 43 -11.296 -4.289 -2.804 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.972 -6.869 -2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.877 -5.256 -0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.096 -6.995 -0.591 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.076 -7.416 0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.329 -5.940 -0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.199 -4.773 1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.233 -6.325 2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.876 -6.185 2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.656 -4.787 1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.806 -4.148 4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.124 -3.514 3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.338 -4.868 4.177 1.00 0.00 H new ATOM 718 N ASP A 44 -12.253 -8.114 -2.845 1.00 0.00 N ATOM 719 CA ASP A 44 -13.264 -8.808 -3.635 1.00 0.00 C ATOM 720 C ASP A 44 -14.660 -8.288 -3.309 1.00 0.00 C ATOM 721 O ASP A 44 -14.839 -7.495 -2.384 1.00 0.00 O ATOM 722 CB ASP A 44 -13.196 -10.315 -3.379 1.00 0.00 C ATOM 723 CG ASP A 44 -14.030 -11.108 -4.366 1.00 0.00 C ATOM 724 OD1 ASP A 44 -13.831 -10.931 -5.586 1.00 0.00 O ATOM 725 OD2 ASP A 44 -14.881 -11.904 -3.919 1.00 0.00 O ATOM 0 H ASP A 44 -11.827 -8.681 -2.112 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.061 -8.616 -4.689 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.159 -10.644 -3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.540 -10.524 -2.366 1.00 0.00 H new ATOM 730 N LYS A 45 -15.648 -8.737 -4.077 1.00 0.00 N ATOM 731 CA LYS A 45 -17.029 -8.317 -3.871 1.00 0.00 C ATOM 732 C LYS A 45 -17.677 -9.113 -2.743 1.00 0.00 C ATOM 733 O LYS A 45 -18.341 -8.549 -1.872 1.00 0.00 O ATOM 734 CB LYS A 45 -17.834 -8.492 -5.161 1.00 0.00 C ATOM 735 CG LYS A 45 -19.327 -8.280 -4.979 1.00 0.00 C ATOM 736 CD LYS A 45 -19.718 -6.832 -5.223 1.00 0.00 C ATOM 737 CE LYS A 45 -19.639 -6.010 -3.946 1.00 0.00 C ATOM 738 NZ LYS A 45 -18.302 -5.377 -3.775 1.00 0.00 N ATOM 0 H LYS A 45 -15.517 -9.392 -4.848 1.00 0.00 H new ATOM 0 HA LYS A 45 -17.025 -7.263 -3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.464 -7.790 -5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.663 -9.495 -5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.874 -8.926 -5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.616 -8.571 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -19.061 -6.399 -5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -20.732 -6.790 -5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -20.407 -5.237 -3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -19.850 -6.649 -3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.877 -5.699 -2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.686 -5.647 -4.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.408 -4.343 -3.755 1.00 0.00 H new ATOM 752 N THR A 46 -17.480 -10.428 -2.762 1.00 0.00 N ATOM 753 CA THR A 46 -18.045 -11.301 -1.741 1.00 0.00 C ATOM 754 C THR A 46 -16.982 -11.733 -0.738 1.00 0.00 C ATOM 755 O THR A 46 -17.173 -11.621 0.473 1.00 0.00 O ATOM 756 CB THR A 46 -18.684 -12.555 -2.366 1.00 0.00 C ATOM 757 OG1 THR A 46 -19.656 -12.173 -3.346 1.00 0.00 O ATOM 758 CG2 THR A 46 -19.345 -13.415 -1.298 1.00 0.00 C ATOM 0 H THR A 46 -16.933 -10.912 -3.474 1.00 0.00 H new ATOM 0 HA THR A 46 -18.816 -10.728 -1.226 1.00 0.00 H new ATOM 0 HB THR A 46 -17.896 -13.137 -2.844 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.056 -12.976 -3.740 1.00 0.00 H new ATOM 0 HG21 THR A 46 -19.789 -14.295 -1.763 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.598 -13.728 -0.569 1.00 0.00 H new ATOM 0 HG23 THR A 46 -20.122 -12.838 -0.796 1.00 0.00 H new ATOM 766 N THR A 47 -15.858 -12.227 -1.249 1.00 0.00 N ATOM 767 CA THR A 47 -14.764 -12.677 -0.397 1.00 0.00 C ATOM 768 C THR A 47 -14.160 -11.514 0.381 1.00 0.00 C ATOM 769 O THR A 47 -13.558 -11.707 1.437 1.00 0.00 O ATOM 770 CB THR A 47 -13.655 -13.360 -1.220 1.00 0.00 C ATOM 771 OG1 THR A 47 -14.220 -13.985 -2.378 1.00 0.00 O ATOM 772 CG2 THR A 47 -12.922 -14.397 -0.384 1.00 0.00 C ATOM 0 H THR A 47 -15.682 -12.325 -2.249 1.00 0.00 H new ATOM 0 HA THR A 47 -15.185 -13.400 0.302 1.00 0.00 H new ATOM 0 HB THR A 47 -12.941 -12.597 -1.531 1.00 0.00 H new ATOM 0 HG1 THR A 47 -14.236 -13.345 -3.120 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.144 -14.866 -0.986 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.469 -13.913 0.481 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.627 -15.157 -0.047 1.00 0.00 H new ATOM 780 N ASN A 48 -14.326 -10.305 -0.146 1.00 0.00 N ATOM 781 CA ASN A 48 -13.796 -9.110 0.500 1.00 0.00 C ATOM 782 C ASN A 48 -12.335 -9.306 0.894 1.00 0.00 C ATOM 783 O ASN A 48 -11.934 -8.979 2.011 1.00 0.00 O ATOM 784 CB ASN A 48 -14.627 -8.763 1.738 1.00 0.00 C ATOM 785 CG ASN A 48 -16.040 -8.339 1.385 1.00 0.00 C ATOM 786 OD1 ASN A 48 -16.259 -7.619 0.411 1.00 0.00 O ATOM 787 ND2 ASN A 48 -17.007 -8.785 2.178 1.00 0.00 N ATOM 0 H ASN A 48 -14.823 -10.127 -1.019 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.854 -8.287 -0.212 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.665 -9.627 2.401 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.136 -7.960 2.288 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.977 -8.533 1.990 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.780 -9.380 2.975 1.00 0.00 H new ATOM 794 N GLN A 49 -11.546 -9.842 -0.031 1.00 0.00 N ATOM 795 CA GLN A 49 -10.129 -10.082 0.220 1.00 0.00 C ATOM 796 C GLN A 49 -9.263 -9.315 -0.775 1.00 0.00 C ATOM 797 O GLN A 49 -9.604 -9.202 -1.952 1.00 0.00 O ATOM 798 CB GLN A 49 -9.821 -11.577 0.135 1.00 0.00 C ATOM 799 CG GLN A 49 -10.171 -12.343 1.401 1.00 0.00 C ATOM 800 CD GLN A 49 -9.223 -12.044 2.545 1.00 0.00 C ATOM 801 OE1 GLN A 49 -8.004 -12.023 2.368 1.00 0.00 O ATOM 802 NE2 GLN A 49 -9.778 -11.809 3.729 1.00 0.00 N ATOM 0 H GLN A 49 -11.863 -10.118 -0.960 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.898 -9.727 1.224 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.371 -12.006 -0.703 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.760 -11.709 -0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.188 -12.093 1.703 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.154 -13.412 1.190 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.792 -11.836 3.831 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.190 -11.601 4.536 1.00 0.00 H new ATOM 811 N SER A 50 -8.142 -8.790 -0.292 1.00 0.00 N ATOM 812 CA SER A 50 -7.228 -8.030 -1.138 1.00 0.00 C ATOM 813 C SER A 50 -6.916 -8.792 -2.422 1.00 0.00 C ATOM 814 O SER A 50 -6.080 -9.696 -2.433 1.00 0.00 O ATOM 815 CB SER A 50 -5.933 -7.728 -0.383 1.00 0.00 C ATOM 816 OG SER A 50 -6.204 -7.186 0.898 1.00 0.00 O ATOM 0 H SER A 50 -7.844 -8.876 0.680 1.00 0.00 H new ATOM 0 HA SER A 50 -7.713 -7.090 -1.403 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.348 -8.642 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.328 -7.026 -0.958 1.00 0.00 H new ATOM 0 HG SER A 50 -5.410 -7.274 1.465 1.00 0.00 H new ATOM 822 N ARG A 51 -7.594 -8.421 -3.503 1.00 0.00 N ATOM 823 CA ARG A 51 -7.390 -9.069 -4.793 1.00 0.00 C ATOM 824 C ARG A 51 -5.905 -9.144 -5.135 1.00 0.00 C ATOM 825 O ARG A 51 -5.394 -10.203 -5.498 1.00 0.00 O ATOM 826 CB ARG A 51 -8.140 -8.314 -5.891 1.00 0.00 C ATOM 827 CG ARG A 51 -9.611 -8.686 -5.991 1.00 0.00 C ATOM 828 CD ARG A 51 -10.441 -7.533 -6.534 1.00 0.00 C ATOM 829 NE ARG A 51 -10.445 -7.502 -7.995 1.00 0.00 N ATOM 830 CZ ARG A 51 -11.342 -6.835 -8.713 1.00 0.00 C ATOM 831 NH1 ARG A 51 -12.301 -6.147 -8.109 1.00 0.00 N ATOM 832 NH2 ARG A 51 -11.280 -6.855 -10.038 1.00 0.00 N ATOM 0 H ARG A 51 -8.289 -7.675 -3.511 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.782 -10.084 -4.727 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.057 -7.243 -5.706 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.658 -8.510 -6.849 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.725 -9.555 -6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.983 -8.972 -5.007 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.465 -7.621 -6.170 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.047 -6.591 -6.152 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.720 -8.021 -8.490 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.351 -6.129 -7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.988 -5.636 -8.663 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.543 -7.383 -10.506 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.969 -6.343 -10.589 1.00 0.00 H new ATOM 846 N GLY A 52 -5.218 -8.012 -5.018 1.00 0.00 N ATOM 847 CA GLY A 52 -3.799 -7.972 -5.319 1.00 0.00 C ATOM 848 C GLY A 52 -3.357 -6.621 -5.847 1.00 0.00 C ATOM 849 O GLY A 52 -2.502 -6.541 -6.730 1.00 0.00 O ATOM 0 H GLY A 52 -5.618 -7.122 -4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.233 -8.210 -4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.565 -8.741 -6.055 1.00 0.00 H new ATOM 853 N PHE A 53 -3.940 -5.557 -5.307 1.00 0.00 N ATOM 854 CA PHE A 53 -3.604 -4.202 -5.730 1.00 0.00 C ATOM 855 C PHE A 53 -4.304 -3.168 -4.854 1.00 0.00 C ATOM 856 O PHE A 53 -5.324 -3.456 -4.230 1.00 0.00 O ATOM 857 CB PHE A 53 -3.991 -3.993 -7.196 1.00 0.00 C ATOM 858 CG PHE A 53 -5.451 -4.220 -7.468 1.00 0.00 C ATOM 859 CD1 PHE A 53 -5.979 -5.501 -7.461 1.00 0.00 C ATOM 860 CD2 PHE A 53 -6.295 -3.153 -7.731 1.00 0.00 C ATOM 861 CE1 PHE A 53 -7.321 -5.713 -7.712 1.00 0.00 C ATOM 862 CE2 PHE A 53 -7.638 -3.359 -7.982 1.00 0.00 C ATOM 863 CZ PHE A 53 -8.152 -4.641 -7.972 1.00 0.00 C ATOM 0 H PHE A 53 -4.648 -5.606 -4.575 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.527 -4.071 -5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.728 -2.977 -7.492 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.404 -4.668 -7.818 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.334 -6.343 -7.257 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.898 -2.148 -7.740 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.720 -6.717 -7.705 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.285 -2.519 -8.186 1.00 0.00 H new ATOM 0 HZ PHE A 53 -9.202 -4.805 -8.167 1.00 0.00 H new ATOM 873 N GLY A 54 -3.747 -1.962 -4.812 1.00 0.00 N ATOM 874 CA GLY A 54 -4.330 -0.903 -4.010 1.00 0.00 C ATOM 875 C GLY A 54 -3.789 0.466 -4.373 1.00 0.00 C ATOM 876 O GLY A 54 -3.422 0.711 -5.523 1.00 0.00 O ATOM 0 H GLY A 54 -2.902 -1.699 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.412 -0.908 -4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.134 -1.100 -2.956 1.00 0.00 H new ATOM 880 N PHE A 55 -3.739 1.361 -3.392 1.00 0.00 N ATOM 881 CA PHE A 55 -3.241 2.713 -3.615 1.00 0.00 C ATOM 882 C PHE A 55 -2.621 3.281 -2.342 1.00 0.00 C ATOM 883 O PHE A 55 -2.888 2.800 -1.240 1.00 0.00 O ATOM 884 CB PHE A 55 -4.373 3.624 -4.095 1.00 0.00 C ATOM 885 CG PHE A 55 -4.982 3.188 -5.397 1.00 0.00 C ATOM 886 CD1 PHE A 55 -5.966 2.212 -5.424 1.00 0.00 C ATOM 887 CD2 PHE A 55 -4.572 3.754 -6.593 1.00 0.00 C ATOM 888 CE1 PHE A 55 -6.527 1.808 -6.621 1.00 0.00 C ATOM 889 CE2 PHE A 55 -5.130 3.355 -7.793 1.00 0.00 C ATOM 890 CZ PHE A 55 -6.110 2.381 -7.807 1.00 0.00 C ATOM 0 H PHE A 55 -4.037 1.174 -2.435 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.470 2.667 -4.384 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.151 3.656 -3.332 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.991 4.639 -4.204 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.298 1.762 -4.500 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.807 4.516 -6.588 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.291 1.045 -6.629 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.800 3.804 -8.718 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.549 2.068 -8.743 1.00 0.00 H new ATOM 900 N VAL A 56 -1.792 4.308 -2.501 1.00 0.00 N ATOM 901 CA VAL A 56 -1.134 4.943 -1.366 1.00 0.00 C ATOM 902 C VAL A 56 -0.833 6.409 -1.655 1.00 0.00 C ATOM 903 O VAL A 56 -0.140 6.734 -2.619 1.00 0.00 O ATOM 904 CB VAL A 56 0.178 4.222 -1.003 1.00 0.00 C ATOM 905 CG1 VAL A 56 0.922 4.984 0.083 1.00 0.00 C ATOM 906 CG2 VAL A 56 -0.103 2.793 -0.565 1.00 0.00 C ATOM 0 H VAL A 56 -1.560 4.718 -3.406 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.822 4.876 -0.523 1.00 0.00 H new ATOM 0 HB VAL A 56 0.811 4.188 -1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.846 4.460 0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.156 5.988 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.297 5.051 0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.835 2.299 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.755 2.802 0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.591 2.253 -1.377 1.00 0.00 H new ATOM 916 N LYS A 57 -1.357 7.292 -0.812 1.00 0.00 N ATOM 917 CA LYS A 57 -1.144 8.726 -0.975 1.00 0.00 C ATOM 918 C LYS A 57 0.050 9.195 -0.149 1.00 0.00 C ATOM 919 O LYS A 57 0.377 8.603 0.879 1.00 0.00 O ATOM 920 CB LYS A 57 -2.398 9.499 -0.562 1.00 0.00 C ATOM 921 CG LYS A 57 -2.568 10.818 -1.295 1.00 0.00 C ATOM 922 CD LYS A 57 -3.833 11.539 -0.860 1.00 0.00 C ATOM 923 CE LYS A 57 -3.983 12.877 -1.567 1.00 0.00 C ATOM 924 NZ LYS A 57 -4.128 12.714 -3.040 1.00 0.00 N ATOM 0 H LYS A 57 -1.933 7.040 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.935 8.920 -2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.274 8.877 -0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.360 9.691 0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.703 11.454 -1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.603 10.636 -2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.701 10.914 -1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.811 11.697 0.218 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.854 13.400 -1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.114 13.499 -1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.429 13.616 -3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.216 12.428 -3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.841 11.984 -3.240 1.00 0.00 H new ATOM 938 N PHE A 58 0.696 10.262 -0.606 1.00 0.00 N ATOM 939 CA PHE A 58 1.854 10.811 0.091 1.00 0.00 C ATOM 940 C PHE A 58 1.731 12.325 0.241 1.00 0.00 C ATOM 941 O PHE A 58 1.527 13.043 -0.738 1.00 0.00 O ATOM 942 CB PHE A 58 3.140 10.465 -0.662 1.00 0.00 C ATOM 943 CG PHE A 58 3.625 9.066 -0.408 1.00 0.00 C ATOM 944 CD1 PHE A 58 4.350 8.767 0.734 1.00 0.00 C ATOM 945 CD2 PHE A 58 3.355 8.051 -1.311 1.00 0.00 C ATOM 946 CE1 PHE A 58 4.799 7.481 0.970 1.00 0.00 C ATOM 947 CE2 PHE A 58 3.801 6.763 -1.081 1.00 0.00 C ATOM 948 CZ PHE A 58 4.522 6.478 0.062 1.00 0.00 C ATOM 0 H PHE A 58 0.438 10.764 -1.456 1.00 0.00 H new ATOM 0 HA PHE A 58 1.893 10.367 1.086 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.972 10.594 -1.731 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.921 11.169 -0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.567 9.548 1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.790 8.268 -2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.365 7.261 1.863 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.586 5.981 -1.794 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.869 5.472 0.246 1.00 0.00 H new ATOM 958 N LYS A 59 1.855 12.803 1.475 1.00 0.00 N ATOM 959 CA LYS A 59 1.759 14.230 1.756 1.00 0.00 C ATOM 960 C LYS A 59 2.517 15.043 0.711 1.00 0.00 C ATOM 961 O LYS A 59 2.118 16.156 0.368 1.00 0.00 O ATOM 962 CB LYS A 59 2.309 14.534 3.151 1.00 0.00 C ATOM 963 CG LYS A 59 1.874 15.884 3.696 1.00 0.00 C ATOM 964 CD LYS A 59 1.943 15.921 5.213 1.00 0.00 C ATOM 965 CE LYS A 59 1.831 17.343 5.742 1.00 0.00 C ATOM 966 NZ LYS A 59 1.212 17.385 7.095 1.00 0.00 N ATOM 0 H LYS A 59 2.022 12.222 2.297 1.00 0.00 H new ATOM 0 HA LYS A 59 0.707 14.512 1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.985 13.753 3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.398 14.498 3.119 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.510 16.666 3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.855 16.097 3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.140 15.312 5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.883 15.481 5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.822 17.794 5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.236 17.941 5.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.154 18.371 7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.256 16.978 7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.793 16.835 7.760 1.00 0.00 H new ATOM 980 N ASP A 60 3.610 14.479 0.208 1.00 0.00 N ATOM 981 CA ASP A 60 4.422 15.150 -0.800 1.00 0.00 C ATOM 982 C ASP A 60 4.522 14.307 -2.067 1.00 0.00 C ATOM 983 O ASP A 60 4.681 13.087 -2.020 1.00 0.00 O ATOM 984 CB ASP A 60 5.821 15.436 -0.251 1.00 0.00 C ATOM 985 CG ASP A 60 6.485 16.611 -0.942 1.00 0.00 C ATOM 986 OD1 ASP A 60 6.025 17.755 -0.742 1.00 0.00 O ATOM 987 OD2 ASP A 60 7.465 16.387 -1.682 1.00 0.00 O ATOM 0 H ASP A 60 3.954 13.559 0.482 1.00 0.00 H new ATOM 0 HA ASP A 60 3.938 16.094 -1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.754 15.637 0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.443 14.549 -0.370 1.00 0.00 H new ATOM 992 N PRO A 61 4.424 14.971 -3.229 1.00 0.00 N ATOM 993 CA PRO A 61 4.500 14.302 -4.531 1.00 0.00 C ATOM 994 C PRO A 61 5.901 13.780 -4.834 1.00 0.00 C ATOM 995 O PRO A 61 6.127 13.144 -5.862 1.00 0.00 O ATOM 996 CB PRO A 61 4.116 15.406 -5.520 1.00 0.00 C ATOM 997 CG PRO A 61 4.467 16.676 -4.825 1.00 0.00 C ATOM 998 CD PRO A 61 4.233 16.425 -3.360 1.00 0.00 C ATOM 0 HA PRO A 61 3.854 13.425 -4.577 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.661 15.304 -6.458 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.054 15.368 -5.763 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.505 16.950 -5.013 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.850 17.500 -5.183 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.936 16.980 -2.740 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.231 16.728 -3.055 1.00 0.00 H new ATOM 1006 N ASN A 62 6.837 14.053 -3.931 1.00 0.00 N ATOM 1007 CA ASN A 62 8.216 13.610 -4.102 1.00 0.00 C ATOM 1008 C ASN A 62 8.426 12.233 -3.481 1.00 0.00 C ATOM 1009 O ASN A 62 9.285 11.467 -3.921 1.00 0.00 O ATOM 1010 CB ASN A 62 9.179 14.619 -3.472 1.00 0.00 C ATOM 1011 CG ASN A 62 8.926 16.036 -3.948 1.00 0.00 C ATOM 1012 OD1 ASN A 62 7.779 16.470 -4.058 1.00 0.00 O ATOM 1013 ND2 ASN A 62 9.999 16.764 -4.234 1.00 0.00 N ATOM 0 H ASN A 62 6.666 14.579 -3.074 1.00 0.00 H new ATOM 0 HA ASN A 62 8.420 13.541 -5.171 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.082 14.581 -2.387 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.204 14.336 -3.711 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.892 17.725 -4.560 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.931 16.363 -4.128 1.00 0.00 H new ATOM 1020 N CYS A 63 7.637 11.924 -2.459 1.00 0.00 N ATOM 1021 CA CYS A 63 7.736 10.639 -1.777 1.00 0.00 C ATOM 1022 C CYS A 63 7.573 9.486 -2.762 1.00 0.00 C ATOM 1023 O CYS A 63 8.254 8.466 -2.660 1.00 0.00 O ATOM 1024 CB CYS A 63 6.679 10.539 -0.676 1.00 0.00 C ATOM 1025 SG CYS A 63 6.840 11.790 0.618 1.00 0.00 S ATOM 0 H CYS A 63 6.921 12.546 -2.084 1.00 0.00 H new ATOM 0 HA CYS A 63 8.726 10.570 -1.327 1.00 0.00 H new ATOM 0 HB2 CYS A 63 5.691 10.624 -1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 63 6.737 9.551 -0.220 1.00 0.00 H new ATOM 0 HG CYS A 63 5.789 11.762 1.382 1.00 0.00 H new ATOM 1031 N VAL A 64 6.663 9.655 -3.717 1.00 0.00 N ATOM 1032 CA VAL A 64 6.409 8.630 -4.721 1.00 0.00 C ATOM 1033 C VAL A 64 7.704 8.182 -5.390 1.00 0.00 C ATOM 1034 O VAL A 64 7.981 6.988 -5.495 1.00 0.00 O ATOM 1035 CB VAL A 64 5.433 9.132 -5.802 1.00 0.00 C ATOM 1036 CG1 VAL A 64 5.145 8.033 -6.814 1.00 0.00 C ATOM 1037 CG2 VAL A 64 4.146 9.633 -5.165 1.00 0.00 C ATOM 0 H VAL A 64 6.090 10.493 -3.816 1.00 0.00 H new ATOM 0 HA VAL A 64 5.960 7.783 -4.201 1.00 0.00 H new ATOM 0 HB VAL A 64 5.899 9.965 -6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.454 8.406 -7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.075 7.726 -7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.700 7.178 -6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.468 9.984 -5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.674 8.821 -4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.372 10.453 -4.484 1.00 0.00 H new ATOM 1047 N GLY A 65 8.496 9.150 -5.841 1.00 0.00 N ATOM 1048 CA GLY A 65 9.754 8.836 -6.493 1.00 0.00 C ATOM 1049 C GLY A 65 10.681 8.029 -5.607 1.00 0.00 C ATOM 1050 O GLY A 65 11.161 6.966 -6.003 1.00 0.00 O ATOM 0 H GLY A 65 8.289 10.146 -5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.556 8.279 -7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.250 9.762 -6.784 1.00 0.00 H new ATOM 1054 N THR A 66 10.936 8.534 -4.404 1.00 0.00 N ATOM 1055 CA THR A 66 11.815 7.854 -3.460 1.00 0.00 C ATOM 1056 C THR A 66 11.568 6.349 -3.466 1.00 0.00 C ATOM 1057 O THR A 66 12.509 5.556 -3.464 1.00 0.00 O ATOM 1058 CB THR A 66 11.623 8.389 -2.029 1.00 0.00 C ATOM 1059 OG1 THR A 66 12.019 9.763 -1.962 1.00 0.00 O ATOM 1060 CG2 THR A 66 12.433 7.573 -1.033 1.00 0.00 C ATOM 0 H THR A 66 10.546 9.412 -4.060 1.00 0.00 H new ATOM 0 HA THR A 66 12.838 8.053 -3.780 1.00 0.00 H new ATOM 0 HB THR A 66 10.567 8.303 -1.771 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.892 10.096 -1.049 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.281 7.970 -0.029 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.108 6.533 -1.065 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.491 7.631 -1.290 1.00 0.00 H new ATOM 1068 N VAL A 67 10.296 5.963 -3.474 1.00 0.00 N ATOM 1069 CA VAL A 67 9.926 4.552 -3.481 1.00 0.00 C ATOM 1070 C VAL A 67 10.188 3.923 -4.845 1.00 0.00 C ATOM 1071 O VAL A 67 10.723 2.818 -4.939 1.00 0.00 O ATOM 1072 CB VAL A 67 8.443 4.360 -3.115 1.00 0.00 C ATOM 1073 CG1 VAL A 67 8.069 2.886 -3.160 1.00 0.00 C ATOM 1074 CG2 VAL A 67 8.152 4.951 -1.744 1.00 0.00 C ATOM 0 H VAL A 67 9.505 6.607 -3.476 1.00 0.00 H new ATOM 0 HA VAL A 67 10.544 4.058 -2.732 1.00 0.00 H new ATOM 0 HB VAL A 67 7.834 4.887 -3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.017 2.769 -2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.238 2.498 -4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.683 2.333 -2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.099 4.806 -1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.769 4.454 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.379 6.017 -1.752 1.00 0.00 H new ATOM 1084 N LEU A 68 9.807 4.633 -5.901 1.00 0.00 N ATOM 1085 CA LEU A 68 10.000 4.145 -7.262 1.00 0.00 C ATOM 1086 C LEU A 68 11.465 3.802 -7.514 1.00 0.00 C ATOM 1087 O LEU A 68 11.783 3.011 -8.402 1.00 0.00 O ATOM 1088 CB LEU A 68 9.529 5.192 -8.272 1.00 0.00 C ATOM 1089 CG LEU A 68 8.021 5.441 -8.328 1.00 0.00 C ATOM 1090 CD1 LEU A 68 7.702 6.578 -9.285 1.00 0.00 C ATOM 1091 CD2 LEU A 68 7.286 4.173 -8.739 1.00 0.00 C ATOM 0 H LEU A 68 9.362 5.549 -5.841 1.00 0.00 H new ATOM 0 HA LEU A 68 9.407 3.239 -7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.025 6.136 -8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.864 4.887 -9.264 1.00 0.00 H new ATOM 0 HG LEU A 68 7.683 5.727 -7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.624 6.740 -9.311 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.198 7.488 -8.947 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.055 6.322 -10.284 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.214 4.369 -8.774 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.629 3.857 -9.724 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.488 3.384 -8.014 1.00 0.00 H new ATOM 1103 N ALA A 69 12.352 4.400 -6.726 1.00 0.00 N ATOM 1104 CA ALA A 69 13.782 4.154 -6.861 1.00 0.00 C ATOM 1105 C ALA A 69 14.227 3.000 -5.969 1.00 0.00 C ATOM 1106 O ALA A 69 15.246 2.360 -6.229 1.00 0.00 O ATOM 1107 CB ALA A 69 14.568 5.414 -6.529 1.00 0.00 C ATOM 0 H ALA A 69 12.105 5.059 -5.987 1.00 0.00 H new ATOM 0 HA ALA A 69 13.982 3.877 -7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.635 5.216 -6.634 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.279 6.214 -7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.354 5.717 -5.504 1.00 0.00 H new ATOM 1113 N SER A 70 13.458 2.741 -4.916 1.00 0.00 N ATOM 1114 CA SER A 70 13.777 1.667 -3.983 1.00 0.00 C ATOM 1115 C SER A 70 13.335 0.316 -4.538 1.00 0.00 C ATOM 1116 O SER A 70 13.720 -0.734 -4.025 1.00 0.00 O ATOM 1117 CB SER A 70 13.104 1.920 -2.632 1.00 0.00 C ATOM 1118 OG SER A 70 13.944 2.676 -1.778 1.00 0.00 O ATOM 0 H SER A 70 12.610 3.260 -4.688 1.00 0.00 H new ATOM 0 HA SER A 70 14.858 1.648 -3.845 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.164 2.450 -2.784 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.861 0.968 -2.159 1.00 0.00 H new ATOM 0 HG SER A 70 13.394 3.219 -1.176 1.00 0.00 H new ATOM 1124 N ARG A 71 12.525 0.353 -5.591 1.00 0.00 N ATOM 1125 CA ARG A 71 12.029 -0.868 -6.217 1.00 0.00 C ATOM 1126 C ARG A 71 13.182 -1.803 -6.572 1.00 0.00 C ATOM 1127 O ARG A 71 14.328 -1.383 -6.732 1.00 0.00 O ATOM 1128 CB ARG A 71 11.226 -0.531 -7.474 1.00 0.00 C ATOM 1129 CG ARG A 71 9.796 -0.103 -7.186 1.00 0.00 C ATOM 1130 CD ARG A 71 9.151 0.538 -8.405 1.00 0.00 C ATOM 1131 NE ARG A 71 9.136 -0.363 -9.554 1.00 0.00 N ATOM 1132 CZ ARG A 71 8.896 0.036 -10.798 1.00 0.00 C ATOM 1133 NH1 ARG A 71 8.653 1.314 -11.053 1.00 0.00 N ATOM 1134 NH2 ARG A 71 8.900 -0.845 -11.791 1.00 0.00 N ATOM 0 H ARG A 71 12.198 1.214 -6.029 1.00 0.00 H new ATOM 0 HA ARG A 71 11.379 -1.375 -5.504 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.733 0.267 -8.016 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.211 -1.402 -8.130 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.211 -0.969 -6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.786 0.602 -6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.130 0.833 -8.162 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.692 1.448 -8.665 1.00 0.00 H new ATOM 0 HE ARG A 71 9.320 -1.353 -9.392 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.650 1.994 -10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.469 1.617 -12.009 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.087 -1.829 -11.599 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.716 -0.538 -12.746 1.00 0.00 H new ATOM 1148 N PRO A 72 12.872 -3.102 -6.696 1.00 0.00 N ATOM 1149 CA PRO A 72 11.512 -3.614 -6.507 1.00 0.00 C ATOM 1150 C PRO A 72 11.065 -3.547 -5.050 1.00 0.00 C ATOM 1151 O PRO A 72 11.798 -3.064 -4.187 1.00 0.00 O ATOM 1152 CB PRO A 72 11.613 -5.070 -6.969 1.00 0.00 C ATOM 1153 CG PRO A 72 13.045 -5.430 -6.775 1.00 0.00 C ATOM 1154 CD PRO A 72 13.827 -4.172 -7.032 1.00 0.00 C ATOM 0 HA PRO A 72 10.776 -3.028 -7.058 1.00 0.00 H new ATOM 0 HB2 PRO A 72 10.959 -5.717 -6.384 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.316 -5.176 -8.012 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.221 -5.799 -5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.344 -6.223 -7.461 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.722 -4.121 -6.412 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.154 -4.107 -8.070 1.00 0.00 H new ATOM 1162 N HIS A 73 9.857 -4.034 -4.784 1.00 0.00 N ATOM 1163 CA HIS A 73 9.313 -4.030 -3.430 1.00 0.00 C ATOM 1164 C HIS A 73 8.682 -5.378 -3.095 1.00 0.00 C ATOM 1165 O HIS A 73 8.330 -6.151 -3.987 1.00 0.00 O ATOM 1166 CB HIS A 73 8.277 -2.917 -3.278 1.00 0.00 C ATOM 1167 CG HIS A 73 8.877 -1.574 -2.996 1.00 0.00 C ATOM 1168 ND1 HIS A 73 9.449 -0.668 -3.823 1.00 0.00 N flip ATOM 1169 CD2 HIS A 73 8.936 -1.026 -1.732 1.00 0.00 C flip ATOM 1170 CE1 HIS A 73 9.838 0.399 -3.052 1.00 0.00 C flip ATOM 1171 NE2 HIS A 73 9.517 0.159 -1.794 1.00 0.00 N flip ATOM 0 H HIS A 73 9.237 -4.436 -5.487 1.00 0.00 H new ATOM 0 HA HIS A 73 10.133 -3.850 -2.735 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.684 -2.856 -4.191 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.593 -3.177 -2.470 1.00 0.00 H new ATOM 0 HD2 HIS A 73 8.565 -1.493 -0.832 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.327 1.290 -3.416 1.00 0.00 H new ATOM 0 HE2 HIS A 73 9.688 0.782 -1.005 1.00 0.00 H new ATOM 1180 N THR A 74 8.543 -5.655 -1.802 1.00 0.00 N ATOM 1181 CA THR A 74 7.956 -6.910 -1.348 1.00 0.00 C ATOM 1182 C THR A 74 7.471 -6.801 0.093 1.00 0.00 C ATOM 1183 O THR A 74 8.271 -6.805 1.030 1.00 0.00 O ATOM 1184 CB THR A 74 8.963 -8.071 -1.453 1.00 0.00 C ATOM 1185 OG1 THR A 74 9.525 -8.115 -2.769 1.00 0.00 O ATOM 1186 CG2 THR A 74 8.292 -9.399 -1.137 1.00 0.00 C ATOM 0 H THR A 74 8.829 -5.027 -1.051 1.00 0.00 H new ATOM 0 HA THR A 74 7.106 -7.116 -1.999 1.00 0.00 H new ATOM 0 HB THR A 74 9.757 -7.901 -0.726 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.904 -7.700 -3.404 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.022 -10.204 -1.218 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.892 -9.372 -0.124 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.480 -9.574 -1.843 1.00 0.00 H new ATOM 1194 N LEU A 75 6.158 -6.705 0.264 1.00 0.00 N ATOM 1195 CA LEU A 75 5.566 -6.596 1.593 1.00 0.00 C ATOM 1196 C LEU A 75 4.764 -7.848 1.937 1.00 0.00 C ATOM 1197 O LEU A 75 4.260 -8.537 1.050 1.00 0.00 O ATOM 1198 CB LEU A 75 4.665 -5.362 1.672 1.00 0.00 C ATOM 1199 CG LEU A 75 3.638 -5.352 2.805 1.00 0.00 C ATOM 1200 CD1 LEU A 75 4.321 -5.120 4.143 1.00 0.00 C ATOM 1201 CD2 LEU A 75 2.577 -4.290 2.554 1.00 0.00 C ATOM 0 H LEU A 75 5.483 -6.700 -0.500 1.00 0.00 H new ATOM 0 HA LEU A 75 6.375 -6.495 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.298 -4.481 1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.133 -5.264 0.726 1.00 0.00 H new ATOM 0 HG LEU A 75 3.149 -6.326 2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.574 -5.116 4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.042 -5.917 4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.838 -4.160 4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.855 -4.297 3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.050 -3.310 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.066 -4.501 1.615 1.00 0.00 H new ATOM 1213 N ASP A 76 4.649 -8.134 3.229 1.00 0.00 N ATOM 1214 CA ASP A 76 3.906 -9.301 3.690 1.00 0.00 C ATOM 1215 C ASP A 76 4.231 -10.524 2.838 1.00 0.00 C ATOM 1216 O ASP A 76 3.336 -11.168 2.292 1.00 0.00 O ATOM 1217 CB ASP A 76 2.403 -9.022 3.653 1.00 0.00 C ATOM 1218 CG ASP A 76 1.897 -8.398 4.939 1.00 0.00 C ATOM 1219 OD1 ASP A 76 2.403 -7.320 5.313 1.00 0.00 O ATOM 1220 OD2 ASP A 76 0.997 -8.990 5.571 1.00 0.00 O ATOM 0 H ASP A 76 5.061 -7.574 3.976 1.00 0.00 H new ATOM 0 HA ASP A 76 4.204 -9.508 4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.180 -8.357 2.818 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.868 -9.954 3.470 1.00 0.00 H new ATOM 1225 N GLY A 77 5.518 -10.837 2.727 1.00 0.00 N ATOM 1226 CA GLY A 77 5.938 -11.981 1.939 1.00 0.00 C ATOM 1227 C GLY A 77 5.265 -12.029 0.582 1.00 0.00 C ATOM 1228 O GLY A 77 4.991 -13.107 0.055 1.00 0.00 O ATOM 0 H GLY A 77 6.277 -10.319 3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.019 -11.948 1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.713 -12.897 2.485 1.00 0.00 H new ATOM 1232 N ARG A 78 4.995 -10.857 0.016 1.00 0.00 N ATOM 1233 CA ARG A 78 4.347 -10.769 -1.287 1.00 0.00 C ATOM 1234 C ARG A 78 5.074 -9.777 -2.191 1.00 0.00 C ATOM 1235 O ARG A 78 5.276 -8.621 -1.822 1.00 0.00 O ATOM 1236 CB ARG A 78 2.884 -10.351 -1.126 1.00 0.00 C ATOM 1237 CG ARG A 78 2.196 -10.023 -2.440 1.00 0.00 C ATOM 1238 CD ARG A 78 1.619 -11.270 -3.093 1.00 0.00 C ATOM 1239 NE ARG A 78 2.646 -12.274 -3.358 1.00 0.00 N ATOM 1240 CZ ARG A 78 3.415 -12.270 -4.442 1.00 0.00 C ATOM 1241 NH1 ARG A 78 3.274 -11.320 -5.356 1.00 0.00 N ATOM 1242 NH2 ARG A 78 4.327 -13.218 -4.612 1.00 0.00 N ATOM 0 H ARG A 78 5.215 -9.955 0.439 1.00 0.00 H new ATOM 0 HA ARG A 78 4.387 -11.754 -1.751 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.338 -11.154 -0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.834 -9.480 -0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.399 -9.301 -2.264 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.908 -9.553 -3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.853 -11.697 -2.445 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.130 -10.996 -4.028 1.00 0.00 H new ATOM 0 HE ARG A 78 2.780 -13.019 -2.674 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.574 -10.589 -5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.866 -11.320 -6.187 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.438 -13.950 -3.911 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.917 -13.215 -5.444 1.00 0.00 H new ATOM 1256 N ASN A 79 5.463 -10.239 -3.374 1.00 0.00 N ATOM 1257 CA ASN A 79 6.169 -9.393 -4.330 1.00 0.00 C ATOM 1258 C ASN A 79 5.241 -8.324 -4.899 1.00 0.00 C ATOM 1259 O ASN A 79 4.372 -8.616 -5.721 1.00 0.00 O ATOM 1260 CB ASN A 79 6.745 -10.241 -5.466 1.00 0.00 C ATOM 1261 CG ASN A 79 7.988 -11.001 -5.046 1.00 0.00 C ATOM 1262 OD1 ASN A 79 7.920 -11.924 -4.234 1.00 0.00 O ATOM 1263 ND2 ASN A 79 9.132 -10.616 -5.599 1.00 0.00 N ATOM 0 H ASN A 79 5.302 -11.194 -3.694 1.00 0.00 H new ATOM 0 HA ASN A 79 6.986 -8.898 -3.805 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.989 -10.947 -5.808 1.00 0.00 H new ATOM 0 HB3 ASN A 79 6.985 -9.596 -6.312 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.001 -11.091 -5.355 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.141 -9.846 -6.268 1.00 0.00 H new ATOM 1270 N ILE A 80 5.431 -7.086 -4.455 1.00 0.00 N ATOM 1271 CA ILE A 80 4.613 -5.973 -4.922 1.00 0.00 C ATOM 1272 C ILE A 80 5.443 -4.979 -5.726 1.00 0.00 C ATOM 1273 O ILE A 80 6.673 -5.032 -5.719 1.00 0.00 O ATOM 1274 CB ILE A 80 3.945 -5.235 -3.747 1.00 0.00 C ATOM 1275 CG1 ILE A 80 4.983 -4.424 -2.969 1.00 0.00 C ATOM 1276 CG2 ILE A 80 3.242 -6.225 -2.830 1.00 0.00 C ATOM 1277 CD1 ILE A 80 4.376 -3.393 -2.044 1.00 0.00 C ATOM 0 H ILE A 80 6.144 -6.828 -3.773 1.00 0.00 H new ATOM 0 HA ILE A 80 3.839 -6.397 -5.562 1.00 0.00 H new ATOM 0 HB ILE A 80 3.199 -4.547 -4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.601 -5.106 -2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.644 -3.922 -3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.775 -5.688 -2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.478 -6.762 -3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.969 -6.935 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.171 -2.856 -1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.781 -2.688 -2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.738 -3.890 -1.314 1.00 0.00 H new ATOM 1289 N ASP A 81 4.762 -4.072 -6.418 1.00 0.00 N ATOM 1290 CA ASP A 81 5.437 -3.063 -7.226 1.00 0.00 C ATOM 1291 C ASP A 81 4.581 -1.806 -7.351 1.00 0.00 C ATOM 1292 O ASP A 81 3.524 -1.806 -7.983 1.00 0.00 O ATOM 1293 CB ASP A 81 5.754 -3.619 -8.615 1.00 0.00 C ATOM 1294 CG ASP A 81 6.867 -2.854 -9.305 1.00 0.00 C ATOM 1295 OD1 ASP A 81 7.857 -2.506 -8.627 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.747 -2.604 -10.522 1.00 0.00 O ATOM 0 H ASP A 81 3.744 -4.015 -6.436 1.00 0.00 H new ATOM 0 HA ASP A 81 6.370 -2.798 -6.728 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.038 -4.668 -8.527 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.856 -3.583 -9.231 1.00 0.00 H new ATOM 1301 N PRO A 82 5.046 -0.709 -6.736 1.00 0.00 N ATOM 1302 CA PRO A 82 4.338 0.574 -6.764 1.00 0.00 C ATOM 1303 C PRO A 82 4.363 1.220 -8.145 1.00 0.00 C ATOM 1304 O PRO A 82 5.103 0.791 -9.029 1.00 0.00 O ATOM 1305 CB PRO A 82 5.115 1.430 -5.760 1.00 0.00 C ATOM 1306 CG PRO A 82 6.482 0.838 -5.736 1.00 0.00 C ATOM 1307 CD PRO A 82 6.299 -0.637 -5.965 1.00 0.00 C ATOM 0 HA PRO A 82 3.281 0.461 -6.522 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.142 2.475 -6.068 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.653 1.400 -4.773 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.111 1.278 -6.510 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.972 1.027 -4.781 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.136 -1.065 -6.517 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.224 -1.184 -5.025 1.00 0.00 H new ATOM 1315 N LYS A 83 3.548 2.255 -8.324 1.00 0.00 N ATOM 1316 CA LYS A 83 3.477 2.962 -9.597 1.00 0.00 C ATOM 1317 C LYS A 83 3.103 4.425 -9.386 1.00 0.00 C ATOM 1318 O LYS A 83 2.325 4.770 -8.497 1.00 0.00 O ATOM 1319 CB LYS A 83 2.456 2.291 -10.519 1.00 0.00 C ATOM 1320 CG LYS A 83 2.812 0.859 -10.881 1.00 0.00 C ATOM 1321 CD LYS A 83 2.281 0.483 -12.254 1.00 0.00 C ATOM 1322 CE LYS A 83 0.822 0.059 -12.190 1.00 0.00 C ATOM 1323 NZ LYS A 83 0.293 -0.313 -13.532 1.00 0.00 N ATOM 0 H LYS A 83 2.927 2.622 -7.603 1.00 0.00 H new ATOM 0 HA LYS A 83 4.461 2.921 -10.063 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.479 2.303 -10.035 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.365 2.876 -11.434 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.895 0.736 -10.863 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.402 0.181 -10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.385 1.331 -12.930 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.879 -0.329 -12.667 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.719 -0.788 -11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.225 0.872 -11.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.704 -0.596 -13.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.367 0.503 -14.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.846 -1.106 -13.916 1.00 0.00 H new ATOM 1337 N PRO A 84 3.668 5.308 -10.223 1.00 0.00 N ATOM 1338 CA PRO A 84 3.406 6.748 -10.149 1.00 0.00 C ATOM 1339 C PRO A 84 1.987 7.103 -10.578 1.00 0.00 C ATOM 1340 O PRO A 84 1.615 8.276 -10.618 1.00 0.00 O ATOM 1341 CB PRO A 84 4.424 7.344 -11.126 1.00 0.00 C ATOM 1342 CG PRO A 84 4.710 6.246 -12.091 1.00 0.00 C ATOM 1343 CD PRO A 84 4.605 4.967 -11.307 1.00 0.00 C ATOM 0 HA PRO A 84 3.498 7.127 -9.131 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.020 8.221 -11.632 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.329 7.663 -10.609 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.998 6.257 -12.917 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.704 6.357 -12.525 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.229 4.149 -11.921 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.574 4.654 -10.917 1.00 0.00 H new ATOM 1351 N CYS A 85 1.198 6.082 -10.896 1.00 0.00 N ATOM 1352 CA CYS A 85 -0.182 6.287 -11.322 1.00 0.00 C ATOM 1353 C CYS A 85 -0.239 7.104 -12.609 1.00 0.00 C ATOM 1354 O CYS A 85 -1.206 7.824 -12.859 1.00 0.00 O ATOM 1355 CB CYS A 85 -0.979 6.989 -10.222 1.00 0.00 C ATOM 1356 SG CYS A 85 -1.597 5.880 -8.935 1.00 0.00 S ATOM 0 H CYS A 85 1.490 5.105 -10.867 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.625 5.310 -11.514 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.348 7.749 -9.760 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.823 7.508 -10.675 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.703 6.356 -8.446 1.00 0.00 H new ATOM 1362 N THR A 86 0.806 6.990 -13.423 1.00 0.00 N ATOM 1363 CA THR A 86 0.877 7.719 -14.682 1.00 0.00 C ATOM 1364 C THR A 86 1.008 6.765 -15.864 1.00 0.00 C ATOM 1365 O THR A 86 1.508 5.647 -15.738 1.00 0.00 O ATOM 1366 CB THR A 86 2.064 8.702 -14.696 1.00 0.00 C ATOM 1367 OG1 THR A 86 3.266 8.022 -14.319 1.00 0.00 O ATOM 1368 CG2 THR A 86 1.814 9.865 -13.749 1.00 0.00 C ATOM 0 H THR A 86 1.615 6.399 -13.232 1.00 0.00 H new ATOM 0 HA THR A 86 -0.052 8.281 -14.774 1.00 0.00 H new ATOM 0 HB THR A 86 2.171 9.095 -15.707 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.016 8.652 -14.332 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.665 10.545 -13.776 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.914 10.397 -14.056 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.684 9.487 -12.735 1.00 0.00 H new