USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 550 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 53 CYS SG : rot 138:sc= 0.92 USER MOD Set 1.2: A 56 SER OG : rot 144:sc= 0.00626 USER MOD Set 1.3: A 61 CYS SG : rot 72:sc= 0.632 USER MOD Set 1.4: A 66 CYS SG : rot -140:sc= 0.534 USER MOD Set 1.5: A 70 HIS : no HD1:sc= 0.0577 K(o=2.6,f=1.8) USER MOD Set 1.6: A 76 LYS NZ :NH3+ -167:sc= 0.422 (180deg=0.339) USER MOD Set 2.1: A 40 SER OG : rot -54:sc= 0.629 USER MOD Set 2.2: A 43 CYS SG : rot 180:sc= 0.85 USER MOD Set 3.1: A 19 CYS SG : rot 134:sc= 1.07 USER MOD Set 3.2: A 27 CYS SG : rot 130:sc= 0.972 USER MOD Set 3.3: A 34 CYS SG : rot 132:sc= 1.03 USER MOD Set 3.4: A 38 HIS : no HD1:sc= -0.182 K(o=2.9,f=1.4) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00673 USER MOD Single : A 12 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000755) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00698 USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 26 THR OG1 : rot 160:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0528) USER MOD Single : A 41 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00499) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.595 X(o=-0.6,f=-0.35) USER MOD Single : A 47 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.59) USER MOD Single : A 58 LYS NZ :NH3+ -134:sc= 0.232 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.00032) USER MOD Single : A 77 THR OG1 : rot 73:sc= 0.671 USER MOD Single : A 78 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 82 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 142 N ASP A 10 25.540 10.036 11.380 1.00 0.00 N ATOM 143 CA ASP A 10 24.172 10.550 11.300 1.00 0.00 C ATOM 144 C ASP A 10 23.151 9.543 11.871 1.00 0.00 C ATOM 145 O ASP A 10 22.707 8.631 11.186 1.00 0.00 O ATOM 146 CB ASP A 10 23.867 10.888 9.830 1.00 0.00 C ATOM 147 CG ASP A 10 22.421 11.353 9.644 1.00 0.00 C ATOM 148 OD1 ASP A 10 21.991 12.218 10.440 1.00 0.00 O ATOM 149 OD2 ASP A 10 21.744 10.832 8.727 1.00 0.00 O ATOM 0 HA ASP A 10 24.086 11.450 11.909 1.00 0.00 H new ATOM 0 HB2 ASP A 10 24.547 11.668 9.487 1.00 0.00 H new ATOM 0 HB3 ASP A 10 24.050 10.011 9.209 1.00 0.00 H new ATOM 154 N THR A 11 22.704 9.731 13.109 1.00 0.00 N ATOM 155 CA THR A 11 21.701 8.856 13.757 1.00 0.00 C ATOM 156 C THR A 11 20.290 8.993 13.170 1.00 0.00 C ATOM 157 O THR A 11 19.457 8.103 13.366 1.00 0.00 O ATOM 158 CB THR A 11 21.639 9.114 15.272 1.00 0.00 C ATOM 159 OG1 THR A 11 21.555 10.501 15.524 1.00 0.00 O ATOM 160 CG2 THR A 11 22.880 8.573 15.984 1.00 0.00 C ATOM 0 H THR A 11 23.022 10.496 13.704 1.00 0.00 H new ATOM 0 HA THR A 11 22.040 7.839 13.559 1.00 0.00 H new ATOM 0 HB THR A 11 20.756 8.600 15.652 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.514 10.656 16.491 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.802 8.773 17.053 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.954 7.498 15.820 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.769 9.062 15.587 1.00 0.00 H new ATOM 168 N LYS A 12 20.011 10.070 12.418 1.00 0.00 N ATOM 169 CA LYS A 12 18.701 10.351 11.798 1.00 0.00 C ATOM 170 C LYS A 12 18.203 9.235 10.874 1.00 0.00 C ATOM 171 O LYS A 12 16.993 9.036 10.763 1.00 0.00 O ATOM 172 CB LYS A 12 18.724 11.692 11.044 1.00 0.00 C ATOM 173 CG LYS A 12 19.073 12.883 11.953 1.00 0.00 C ATOM 174 CD LYS A 12 19.077 14.196 11.156 1.00 0.00 C ATOM 175 CE LYS A 12 19.530 15.386 12.010 1.00 0.00 C ATOM 176 NZ LYS A 12 18.559 15.700 13.082 1.00 0.00 N ATOM 0 H LYS A 12 20.706 10.789 12.218 1.00 0.00 H new ATOM 0 HA LYS A 12 17.992 10.409 12.624 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.450 11.635 10.233 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.749 11.863 10.587 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.351 12.949 12.767 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.051 12.725 12.407 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.738 14.095 10.295 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.076 14.388 10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.501 15.165 12.453 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.662 16.260 11.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.895 16.521 13.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.634 15.919 12.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.465 14.881 13.716 1.00 0.00 H new ATOM 190 N TRP A 13 19.110 8.489 10.232 1.00 0.00 N ATOM 191 CA TRP A 13 18.739 7.360 9.369 1.00 0.00 C ATOM 192 C TRP A 13 18.465 6.061 10.157 1.00 0.00 C ATOM 193 O TRP A 13 17.885 5.135 9.597 1.00 0.00 O ATOM 194 CB TRP A 13 19.755 7.178 8.227 1.00 0.00 C ATOM 195 CG TRP A 13 21.007 6.406 8.517 1.00 0.00 C ATOM 196 CD1 TRP A 13 22.209 6.926 8.854 1.00 0.00 C ATOM 197 CD2 TRP A 13 21.206 4.959 8.452 1.00 0.00 C ATOM 198 NE1 TRP A 13 23.127 5.906 9.024 1.00 0.00 N ATOM 199 CE2 TRP A 13 22.566 4.674 8.782 1.00 0.00 C ATOM 200 CE3 TRP A 13 20.378 3.857 8.139 1.00 0.00 C ATOM 201 CZ2 TRP A 13 23.078 3.371 8.801 1.00 0.00 C ATOM 202 CZ3 TRP A 13 20.878 2.541 8.175 1.00 0.00 C ATOM 203 CH2 TRP A 13 22.223 2.299 8.499 1.00 0.00 C ATOM 0 H TRP A 13 20.115 8.649 10.295 1.00 0.00 H new ATOM 0 HA TRP A 13 17.784 7.608 8.906 1.00 0.00 H new ATOM 0 HB2 TRP A 13 19.243 6.686 7.400 1.00 0.00 H new ATOM 0 HB3 TRP A 13 20.046 8.169 7.878 1.00 0.00 H new ATOM 0 HD1 TRP A 13 22.420 7.979 8.972 1.00 0.00 H new ATOM 0 HE1 TRP A 13 24.100 6.050 9.295 1.00 0.00 H new ATOM 0 HE3 TRP A 13 19.346 4.027 7.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 24.115 3.193 9.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 20.223 1.712 7.952 1.00 0.00 H new ATOM 0 HH2 TRP A 13 22.600 1.287 8.516 1.00 0.00 H new ATOM 214 N LEU A 14 18.818 6.003 11.453 1.00 0.00 N ATOM 215 CA LEU A 14 18.576 4.865 12.357 1.00 0.00 C ATOM 216 C LEU A 14 17.469 5.134 13.396 1.00 0.00 C ATOM 217 O LEU A 14 16.982 4.186 14.013 1.00 0.00 O ATOM 218 CB LEU A 14 19.881 4.458 13.074 1.00 0.00 C ATOM 219 CG LEU A 14 20.929 3.731 12.213 1.00 0.00 C ATOM 220 CD1 LEU A 14 22.143 3.398 13.086 1.00 0.00 C ATOM 221 CD2 LEU A 14 20.406 2.408 11.645 1.00 0.00 C ATOM 0 H LEU A 14 19.297 6.775 11.916 1.00 0.00 H new ATOM 0 HA LEU A 14 18.226 4.046 11.728 1.00 0.00 H new ATOM 0 HB2 LEU A 14 20.340 5.356 13.487 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.624 3.816 13.916 1.00 0.00 H new ATOM 0 HG LEU A 14 21.180 4.395 11.386 1.00 0.00 H new ATOM 0 HD11 LEU A 14 22.892 2.882 12.486 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.568 4.319 13.484 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.833 2.755 13.910 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.185 1.936 11.046 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.127 1.745 12.464 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.534 2.600 11.020 1.00 0.00 H new ATOM 233 N THR A 15 17.053 6.386 13.619 1.00 0.00 N ATOM 234 CA THR A 15 15.987 6.708 14.587 1.00 0.00 C ATOM 235 C THR A 15 14.567 6.466 14.057 1.00 0.00 C ATOM 236 O THR A 15 14.288 6.642 12.869 1.00 0.00 O ATOM 237 CB THR A 15 16.038 8.176 15.051 1.00 0.00 C ATOM 238 OG1 THR A 15 16.304 9.062 13.985 1.00 0.00 O ATOM 239 CG2 THR A 15 17.099 8.403 16.123 1.00 0.00 C ATOM 0 H THR A 15 17.439 7.200 13.141 1.00 0.00 H new ATOM 0 HA THR A 15 16.187 6.027 15.414 1.00 0.00 H new ATOM 0 HB THR A 15 15.049 8.381 15.462 1.00 0.00 H new ATOM 0 HG1 THR A 15 16.326 9.982 14.322 1.00 0.00 H new ATOM 0 HG21 THR A 15 17.098 9.452 16.419 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.879 7.781 16.990 1.00 0.00 H new ATOM 0 HG23 THR A 15 18.079 8.139 15.726 1.00 0.00 H new ATOM 247 N LEU A 16 13.649 6.140 14.974 1.00 0.00 N ATOM 248 CA LEU A 16 12.208 5.981 14.738 1.00 0.00 C ATOM 249 C LEU A 16 11.426 6.773 15.796 1.00 0.00 C ATOM 250 O LEU A 16 11.880 6.948 16.929 1.00 0.00 O ATOM 251 CB LEU A 16 11.816 4.490 14.704 1.00 0.00 C ATOM 252 CG LEU A 16 12.176 3.762 13.392 1.00 0.00 C ATOM 253 CD1 LEU A 16 11.789 2.287 13.501 1.00 0.00 C ATOM 254 CD2 LEU A 16 11.435 4.332 12.177 1.00 0.00 C ATOM 0 H LEU A 16 13.902 5.972 15.948 1.00 0.00 H new ATOM 0 HA LEU A 16 11.951 6.386 13.759 1.00 0.00 H new ATOM 0 HB2 LEU A 16 12.306 3.980 15.534 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.742 4.406 14.868 1.00 0.00 H new ATOM 0 HG LEU A 16 13.248 3.896 13.249 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.044 1.774 12.573 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.330 1.829 14.329 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.717 2.204 13.678 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.727 3.782 11.282 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.360 4.235 12.328 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.691 5.385 12.056 1.00 0.00 H new ATOM 266 N GLU A 17 10.264 7.292 15.400 1.00 0.00 N ATOM 267 CA GLU A 17 9.403 8.136 16.233 1.00 0.00 C ATOM 268 C GLU A 17 8.516 7.344 17.203 1.00 0.00 C ATOM 269 O GLU A 17 7.908 6.332 16.849 1.00 0.00 O ATOM 270 CB GLU A 17 8.587 9.061 15.312 1.00 0.00 C ATOM 271 CG GLU A 17 7.505 9.883 16.034 1.00 0.00 C ATOM 272 CD GLU A 17 6.979 11.055 15.187 1.00 0.00 C ATOM 273 OE1 GLU A 17 6.667 12.112 15.786 1.00 0.00 O ATOM 274 OE2 GLU A 17 6.884 10.909 13.945 1.00 0.00 O ATOM 0 H GLU A 17 9.884 7.134 14.467 1.00 0.00 H new ATOM 0 HA GLU A 17 10.038 8.735 16.885 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.269 9.745 14.807 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.112 8.457 14.539 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.673 9.229 16.296 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.913 10.270 16.968 1.00 0.00 H new ATOM 281 N VAL A 18 8.429 7.856 18.433 1.00 0.00 N ATOM 282 CA VAL A 18 7.597 7.323 19.517 1.00 0.00 C ATOM 283 C VAL A 18 6.162 7.837 19.352 1.00 0.00 C ATOM 284 O VAL A 18 5.956 9.008 19.020 1.00 0.00 O ATOM 285 CB VAL A 18 8.178 7.740 20.883 1.00 0.00 C ATOM 286 CG1 VAL A 18 7.346 7.210 22.054 1.00 0.00 C ATOM 287 CG2 VAL A 18 9.606 7.202 21.041 1.00 0.00 C ATOM 0 H VAL A 18 8.955 8.684 18.713 1.00 0.00 H new ATOM 0 HA VAL A 18 7.588 6.234 19.473 1.00 0.00 H new ATOM 0 HB VAL A 18 8.166 8.830 20.903 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.796 7.530 22.994 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.331 7.601 21.985 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.318 6.121 22.017 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.004 7.504 22.010 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.594 6.114 20.977 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.236 7.605 20.249 1.00 0.00 H new ATOM 297 N CYS A 19 5.167 6.981 19.586 1.00 0.00 N ATOM 298 CA CYS A 19 3.752 7.333 19.463 1.00 0.00 C ATOM 299 C CYS A 19 3.369 8.533 20.352 1.00 0.00 C ATOM 300 O CYS A 19 3.728 8.613 21.537 1.00 0.00 O ATOM 301 CB CYS A 19 2.929 6.072 19.750 1.00 0.00 C ATOM 302 SG CYS A 19 1.153 6.298 19.425 1.00 0.00 S ATOM 0 H CYS A 19 5.322 6.014 19.869 1.00 0.00 H new ATOM 0 HA CYS A 19 3.535 7.673 18.450 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.304 5.252 19.138 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.069 5.782 20.791 1.00 0.00 H new ATOM 0 HG CYS A 19 0.702 5.281 18.752 1.00 0.00 H new ATOM 307 N ARG A 20 2.650 9.498 19.765 1.00 0.00 N ATOM 308 CA ARG A 20 2.197 10.729 20.437 1.00 0.00 C ATOM 309 C ARG A 20 1.237 10.432 21.593 1.00 0.00 C ATOM 310 O ARG A 20 1.303 11.081 22.635 1.00 0.00 O ATOM 311 CB ARG A 20 1.516 11.665 19.420 1.00 0.00 C ATOM 312 CG ARG A 20 2.365 12.096 18.209 1.00 0.00 C ATOM 313 CD ARG A 20 3.617 12.916 18.560 1.00 0.00 C ATOM 314 NE ARG A 20 4.788 12.070 18.855 1.00 0.00 N ATOM 315 CZ ARG A 20 6.013 12.507 19.091 1.00 0.00 C ATOM 316 NH1 ARG A 20 6.315 13.775 19.182 1.00 0.00 N ATOM 317 NH2 ARG A 20 6.980 11.649 19.266 1.00 0.00 N ATOM 0 H ARG A 20 2.359 9.447 18.789 1.00 0.00 H new ATOM 0 HA ARG A 20 3.078 11.217 20.855 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.618 11.171 19.049 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.191 12.563 19.946 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.673 11.204 17.663 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.740 12.683 17.535 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.855 13.581 17.730 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.403 13.547 19.423 1.00 0.00 H new ATOM 0 HE ARG A 20 4.640 11.061 18.879 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.588 14.482 19.069 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.278 14.058 19.366 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.788 10.648 19.220 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.928 11.979 19.448 1.00 0.00 H new ATOM 331 N GLU A 21 0.364 9.440 21.426 1.00 0.00 N ATOM 332 CA GLU A 21 -0.606 9.014 22.443 1.00 0.00 C ATOM 333 C GLU A 21 0.024 8.109 23.515 1.00 0.00 C ATOM 334 O GLU A 21 -0.401 8.141 24.671 1.00 0.00 O ATOM 335 CB GLU A 21 -1.809 8.342 21.765 1.00 0.00 C ATOM 336 CG GLU A 21 -2.644 9.344 20.959 1.00 0.00 C ATOM 337 CD GLU A 21 -3.923 8.693 20.419 1.00 0.00 C ATOM 338 OE1 GLU A 21 -3.933 8.306 19.225 1.00 0.00 O ATOM 339 OE2 GLU A 21 -4.910 8.603 21.188 1.00 0.00 O ATOM 0 H GLU A 21 0.307 8.897 20.564 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.952 9.903 22.971 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.458 7.549 21.105 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.437 7.872 22.522 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.904 10.195 21.589 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.052 9.731 20.130 1.00 0.00 H new ATOM 346 N PHE A 22 1.074 7.344 23.192 1.00 0.00 N ATOM 347 CA PHE A 22 1.800 6.520 24.170 1.00 0.00 C ATOM 348 C PHE A 22 2.466 7.401 25.239 1.00 0.00 C ATOM 349 O PHE A 22 2.374 7.122 26.436 1.00 0.00 O ATOM 350 CB PHE A 22 2.834 5.667 23.429 1.00 0.00 C ATOM 351 CG PHE A 22 3.675 4.750 24.296 1.00 0.00 C ATOM 352 CD1 PHE A 22 5.033 5.043 24.531 1.00 0.00 C ATOM 353 CD2 PHE A 22 3.108 3.581 24.840 1.00 0.00 C ATOM 354 CE1 PHE A 22 5.818 4.173 25.308 1.00 0.00 C ATOM 355 CE2 PHE A 22 3.893 2.714 25.621 1.00 0.00 C ATOM 356 CZ PHE A 22 5.248 3.009 25.854 1.00 0.00 C ATOM 0 H PHE A 22 1.446 7.278 22.244 1.00 0.00 H new ATOM 0 HA PHE A 22 1.100 5.863 24.686 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.313 5.060 22.689 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.502 6.333 22.882 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.472 5.937 24.114 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.069 3.350 24.657 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.859 4.399 25.486 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.455 1.821 26.042 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.851 2.342 26.452 1.00 0.00 H new ATOM 366 N GLN A 23 3.068 8.518 24.812 1.00 0.00 N ATOM 367 CA GLN A 23 3.686 9.531 25.681 1.00 0.00 C ATOM 368 C GLN A 23 2.664 10.275 26.571 1.00 0.00 C ATOM 369 O GLN A 23 3.049 10.904 27.560 1.00 0.00 O ATOM 370 CB GLN A 23 4.478 10.518 24.807 1.00 0.00 C ATOM 371 CG GLN A 23 5.735 9.856 24.220 1.00 0.00 C ATOM 372 CD GLN A 23 6.345 10.686 23.096 1.00 0.00 C ATOM 373 OE1 GLN A 23 5.875 10.515 21.881 1.00 0.00 O flip ATOM 374 NE2 GLN A 23 7.246 11.491 23.284 1.00 0.00 N flip ATOM 0 H GLN A 23 3.141 8.750 23.822 1.00 0.00 H new ATOM 0 HA GLN A 23 4.356 9.017 26.371 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.844 10.881 23.998 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.765 11.385 25.402 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.473 9.716 25.009 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.481 8.866 23.842 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.617 11.631 24.224 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.626 12.023 22.501 1.00 0.00 H new ATOM 383 N ARG A 24 1.366 10.186 26.243 1.00 0.00 N ATOM 384 CA ARG A 24 0.231 10.785 26.975 1.00 0.00 C ATOM 385 C ARG A 24 -0.584 9.749 27.769 1.00 0.00 C ATOM 386 O ARG A 24 -1.492 10.126 28.512 1.00 0.00 O ATOM 387 CB ARG A 24 -0.681 11.515 25.970 1.00 0.00 C ATOM 388 CG ARG A 24 -0.016 12.752 25.341 1.00 0.00 C ATOM 389 CD ARG A 24 -0.870 13.347 24.213 1.00 0.00 C ATOM 390 NE ARG A 24 -2.171 13.842 24.706 1.00 0.00 N ATOM 391 CZ ARG A 24 -3.378 13.474 24.303 1.00 0.00 C ATOM 392 NH1 ARG A 24 -3.582 12.591 23.360 1.00 0.00 N ATOM 393 NH2 ARG A 24 -4.437 14.002 24.853 1.00 0.00 N ATOM 0 H ARG A 24 1.060 9.669 25.419 1.00 0.00 H new ATOM 0 HA ARG A 24 0.639 11.484 27.705 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.968 10.822 25.179 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.598 11.820 26.475 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.148 13.507 26.110 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.964 12.478 24.949 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.327 14.165 23.740 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.037 12.590 23.447 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.136 14.548 25.441 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.789 12.149 22.895 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.534 12.345 23.089 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.335 14.697 25.592 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.367 13.720 24.544 1.00 0.00 H new ATOM 407 N GLY A 25 -0.276 8.456 27.627 1.00 0.00 N ATOM 408 CA GLY A 25 -0.986 7.351 28.282 1.00 0.00 C ATOM 409 C GLY A 25 -2.396 7.110 27.721 1.00 0.00 C ATOM 410 O GLY A 25 -3.278 6.668 28.462 1.00 0.00 O ATOM 0 H GLY A 25 0.494 8.140 27.038 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.400 6.438 28.174 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.059 7.559 29.350 1.00 0.00 H new ATOM 414 N THR A 26 -2.630 7.426 26.440 1.00 0.00 N ATOM 415 CA THR A 26 -3.942 7.335 25.766 1.00 0.00 C ATOM 416 C THR A 26 -4.001 6.357 24.580 1.00 0.00 C ATOM 417 O THR A 26 -5.100 6.072 24.095 1.00 0.00 O ATOM 418 CB THR A 26 -4.422 8.728 25.314 1.00 0.00 C ATOM 419 OG1 THR A 26 -3.427 9.389 24.559 1.00 0.00 O ATOM 420 CG2 THR A 26 -4.757 9.633 26.500 1.00 0.00 C ATOM 0 H THR A 26 -1.892 7.763 25.821 1.00 0.00 H new ATOM 0 HA THR A 26 -4.611 6.925 26.522 1.00 0.00 H new ATOM 0 HB THR A 26 -5.315 8.553 24.714 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.840 10.099 24.024 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.091 10.604 26.134 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.550 9.177 27.093 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.870 9.764 27.120 1.00 0.00 H new ATOM 428 N CYS A 27 -2.867 5.808 24.125 1.00 0.00 N ATOM 429 CA CYS A 27 -2.819 4.824 23.032 1.00 0.00 C ATOM 430 C CYS A 27 -3.402 3.456 23.473 1.00 0.00 C ATOM 431 O CYS A 27 -3.302 3.081 24.649 1.00 0.00 O ATOM 432 CB CYS A 27 -1.365 4.709 22.537 1.00 0.00 C ATOM 433 SG CYS A 27 -1.271 3.929 20.891 1.00 0.00 S ATOM 0 H CYS A 27 -1.949 6.035 24.507 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.446 5.161 22.206 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.915 5.701 22.496 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.783 4.125 23.250 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.531 4.656 20.108 1.00 0.00 H new ATOM 438 N SER A 28 -3.982 2.704 22.528 1.00 0.00 N ATOM 439 CA SER A 28 -4.597 1.384 22.763 1.00 0.00 C ATOM 440 C SER A 28 -4.302 0.382 21.631 1.00 0.00 C ATOM 441 O SER A 28 -5.212 -0.169 21.002 1.00 0.00 O ATOM 442 CB SER A 28 -6.118 1.527 22.977 1.00 0.00 C ATOM 443 OG SER A 28 -6.425 2.317 24.119 1.00 0.00 O ATOM 0 H SER A 28 -4.040 3.001 21.554 1.00 0.00 H new ATOM 0 HA SER A 28 -4.144 0.980 23.669 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.567 1.979 22.093 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.562 0.538 23.090 1.00 0.00 H new ATOM 0 HG SER A 28 -7.398 2.384 24.218 1.00 0.00 H new ATOM 449 N ARG A 29 -3.010 0.107 21.400 1.00 0.00 N ATOM 450 CA ARG A 29 -2.475 -0.872 20.431 1.00 0.00 C ATOM 451 C ARG A 29 -1.085 -1.367 20.868 1.00 0.00 C ATOM 452 O ARG A 29 -0.329 -0.590 21.459 1.00 0.00 O ATOM 453 CB ARG A 29 -2.299 -0.241 19.030 1.00 0.00 C ATOM 454 CG ARG A 29 -3.592 -0.093 18.217 1.00 0.00 C ATOM 455 CD ARG A 29 -3.255 0.265 16.763 1.00 0.00 C ATOM 456 NE ARG A 29 -4.471 0.407 15.946 1.00 0.00 N ATOM 457 CZ ARG A 29 -4.537 0.396 14.624 1.00 0.00 C ATOM 458 NH1 ARG A 29 -3.499 0.201 13.852 1.00 0.00 N ATOM 459 NH2 ARG A 29 -5.684 0.584 14.029 1.00 0.00 N ATOM 0 H ARG A 29 -2.267 0.585 21.909 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.192 -1.692 20.394 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.846 0.744 19.146 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.597 -0.849 18.460 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.161 -1.022 18.250 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.221 0.682 18.655 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.688 1.196 16.738 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.617 -0.508 16.336 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.351 0.526 16.449 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.579 0.047 14.264 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.610 0.203 12.838 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.526 0.739 14.583 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.738 0.576 13.010 1.00 0.00 H new ATOM 473 N PRO A 30 -0.705 -2.619 20.552 1.00 0.00 N ATOM 474 CA PRO A 30 0.647 -3.109 20.808 1.00 0.00 C ATOM 475 C PRO A 30 1.631 -2.454 19.820 1.00 0.00 C ATOM 476 O PRO A 30 1.239 -2.003 18.740 1.00 0.00 O ATOM 477 CB PRO A 30 0.563 -4.625 20.595 1.00 0.00 C ATOM 478 CG PRO A 30 -0.526 -4.770 19.532 1.00 0.00 C ATOM 479 CD PRO A 30 -1.497 -3.638 19.873 1.00 0.00 C ATOM 0 HA PRO A 30 1.005 -2.870 21.809 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.514 -5.037 20.256 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.299 -5.147 21.515 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.123 -4.665 18.525 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.010 -5.745 19.582 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.959 -3.236 18.972 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.304 -3.996 20.513 1.00 0.00 H new ATOM 487 N ASP A 31 2.926 -2.450 20.154 1.00 0.00 N ATOM 488 CA ASP A 31 4.002 -1.923 19.290 1.00 0.00 C ATOM 489 C ASP A 31 3.964 -2.513 17.863 1.00 0.00 C ATOM 490 O ASP A 31 4.325 -1.850 16.892 1.00 0.00 O ATOM 491 CB ASP A 31 5.349 -2.235 19.960 1.00 0.00 C ATOM 492 CG ASP A 31 6.542 -1.666 19.185 1.00 0.00 C ATOM 493 OD1 ASP A 31 7.219 -2.460 18.493 1.00 0.00 O ATOM 494 OD2 ASP A 31 6.785 -0.442 19.303 1.00 0.00 O ATOM 0 H ASP A 31 3.267 -2.816 21.043 1.00 0.00 H new ATOM 0 HA ASP A 31 3.861 -0.848 19.179 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.350 -1.827 20.971 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.463 -3.315 20.052 1.00 0.00 H new ATOM 499 N THR A 32 3.504 -3.760 17.748 1.00 0.00 N ATOM 500 CA THR A 32 3.351 -4.545 16.514 1.00 0.00 C ATOM 501 C THR A 32 2.257 -4.042 15.561 1.00 0.00 C ATOM 502 O THR A 32 2.301 -4.351 14.371 1.00 0.00 O ATOM 503 CB THR A 32 2.983 -5.994 16.885 1.00 0.00 C ATOM 504 OG1 THR A 32 3.635 -6.421 18.068 1.00 0.00 O ATOM 505 CG2 THR A 32 3.322 -7.020 15.801 1.00 0.00 C ATOM 0 H THR A 32 3.207 -4.288 18.569 1.00 0.00 H new ATOM 0 HA THR A 32 4.306 -4.456 15.996 1.00 0.00 H new ATOM 0 HB THR A 32 1.902 -5.958 17.019 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.374 -7.344 18.270 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.032 -8.015 16.139 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.781 -6.775 14.887 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.394 -7.001 15.605 1.00 0.00 H new ATOM 513 N GLU A 33 1.265 -3.293 16.055 1.00 0.00 N ATOM 514 CA GLU A 33 0.101 -2.842 15.270 1.00 0.00 C ATOM 515 C GLU A 33 -0.046 -1.314 15.184 1.00 0.00 C ATOM 516 O GLU A 33 -0.725 -0.815 14.283 1.00 0.00 O ATOM 517 CB GLU A 33 -1.155 -3.494 15.884 1.00 0.00 C ATOM 518 CG GLU A 33 -2.426 -3.460 15.021 1.00 0.00 C ATOM 519 CD GLU A 33 -2.280 -4.286 13.735 1.00 0.00 C ATOM 520 OE1 GLU A 33 -2.472 -5.524 13.807 1.00 0.00 O ATOM 521 OE2 GLU A 33 -1.972 -3.688 12.677 1.00 0.00 O ATOM 0 H GLU A 33 1.244 -2.976 17.024 1.00 0.00 H new ATOM 0 HA GLU A 33 0.243 -3.156 14.236 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.924 -4.534 16.113 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.370 -2.999 16.831 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.267 -3.841 15.601 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.659 -2.427 14.762 1.00 0.00 H new ATOM 528 N CYS A 34 0.590 -0.558 16.085 1.00 0.00 N ATOM 529 CA CYS A 34 0.544 0.908 16.048 1.00 0.00 C ATOM 530 C CYS A 34 1.390 1.488 14.887 1.00 0.00 C ATOM 531 O CYS A 34 2.291 0.836 14.341 1.00 0.00 O ATOM 532 CB CYS A 34 0.942 1.466 17.424 1.00 0.00 C ATOM 533 SG CYS A 34 0.310 3.168 17.646 1.00 0.00 S ATOM 0 H CYS A 34 1.145 -0.939 16.852 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.477 1.228 15.839 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.548 0.822 18.210 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.028 1.461 17.523 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.274 3.267 18.803 1.00 0.00 H new ATOM 538 N LYS A 35 1.101 2.740 14.512 1.00 0.00 N ATOM 539 CA LYS A 35 1.778 3.504 13.447 1.00 0.00 C ATOM 540 C LYS A 35 3.192 3.969 13.845 1.00 0.00 C ATOM 541 O LYS A 35 4.014 4.265 12.975 1.00 0.00 O ATOM 542 CB LYS A 35 0.875 4.704 13.089 1.00 0.00 C ATOM 543 CG LYS A 35 1.364 5.625 11.955 1.00 0.00 C ATOM 544 CD LYS A 35 1.561 4.900 10.613 1.00 0.00 C ATOM 545 CE LYS A 35 2.044 5.856 9.515 1.00 0.00 C ATOM 546 NZ LYS A 35 1.011 6.849 9.148 1.00 0.00 N ATOM 0 H LYS A 35 0.357 3.275 14.960 1.00 0.00 H new ATOM 0 HA LYS A 35 1.924 2.856 12.583 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.108 4.320 12.816 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.743 5.309 13.986 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.645 6.433 11.819 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.307 6.084 12.252 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.285 4.094 10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.621 4.440 10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.940 6.375 9.855 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.324 5.281 8.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.333 7.397 8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.125 6.358 8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.847 7.492 9.949 1.00 0.00 H new ATOM 560 N PHE A 36 3.473 4.022 15.145 1.00 0.00 N ATOM 561 CA PHE A 36 4.722 4.498 15.748 1.00 0.00 C ATOM 562 C PHE A 36 5.259 3.526 16.819 1.00 0.00 C ATOM 563 O PHE A 36 4.687 2.459 17.056 1.00 0.00 O ATOM 564 CB PHE A 36 4.470 5.908 16.299 1.00 0.00 C ATOM 565 CG PHE A 36 4.148 6.952 15.245 1.00 0.00 C ATOM 566 CD1 PHE A 36 5.148 7.379 14.351 1.00 0.00 C ATOM 567 CD2 PHE A 36 2.851 7.495 15.154 1.00 0.00 C ATOM 568 CE1 PHE A 36 4.852 8.340 13.367 1.00 0.00 C ATOM 569 CE2 PHE A 36 2.557 8.457 14.171 1.00 0.00 C ATOM 570 CZ PHE A 36 3.557 8.879 13.278 1.00 0.00 C ATOM 0 H PHE A 36 2.799 3.718 15.848 1.00 0.00 H new ATOM 0 HA PHE A 36 5.507 4.540 14.993 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.646 5.863 17.011 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.352 6.230 16.853 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.144 6.968 14.421 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.082 7.172 15.840 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.620 8.664 12.680 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.562 8.872 14.102 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.330 9.618 12.523 1.00 0.00 H new ATOM 580 N ALA A 37 6.396 3.863 17.436 1.00 0.00 N ATOM 581 CA ALA A 37 7.085 3.000 18.395 1.00 0.00 C ATOM 582 C ALA A 37 6.629 3.209 19.856 1.00 0.00 C ATOM 583 O ALA A 37 6.330 4.327 20.280 1.00 0.00 O ATOM 584 CB ALA A 37 8.585 3.298 18.257 1.00 0.00 C ATOM 0 H ALA A 37 6.868 4.754 17.280 1.00 0.00 H new ATOM 0 HA ALA A 37 6.847 1.961 18.169 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.145 2.676 18.955 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.907 3.081 17.239 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.769 4.349 18.479 1.00 0.00 H new ATOM 590 N HIS A 38 6.613 2.119 20.632 1.00 0.00 N ATOM 591 CA HIS A 38 6.262 2.056 22.059 1.00 0.00 C ATOM 592 C HIS A 38 7.460 1.511 22.883 1.00 0.00 C ATOM 593 O HIS A 38 7.459 0.338 23.275 1.00 0.00 O ATOM 594 CB HIS A 38 4.981 1.218 22.261 1.00 0.00 C ATOM 595 CG HIS A 38 3.732 1.726 21.576 1.00 0.00 C ATOM 596 ND1 HIS A 38 2.625 0.974 21.245 1.00 0.00 N ATOM 597 CD2 HIS A 38 3.454 3.016 21.202 1.00 0.00 C ATOM 598 CE1 HIS A 38 1.717 1.788 20.676 1.00 0.00 C ATOM 599 NE2 HIS A 38 2.179 3.048 20.621 1.00 0.00 N ATOM 0 H HIS A 38 6.859 1.202 20.260 1.00 0.00 H new ATOM 0 HA HIS A 38 6.049 3.061 22.424 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.176 0.205 21.909 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.781 1.151 23.330 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.108 3.865 21.333 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.750 1.472 20.314 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.700 3.862 20.235 1.00 0.00 H new ATOM 607 N PRO A 39 8.516 2.318 23.116 1.00 0.00 N ATOM 608 CA PRO A 39 9.721 1.909 23.843 1.00 0.00 C ATOM 609 C PRO A 39 9.500 1.668 25.346 1.00 0.00 C ATOM 610 O PRO A 39 8.500 2.087 25.933 1.00 0.00 O ATOM 611 CB PRO A 39 10.740 3.023 23.614 1.00 0.00 C ATOM 612 CG PRO A 39 9.861 4.259 23.439 1.00 0.00 C ATOM 613 CD PRO A 39 8.643 3.708 22.701 1.00 0.00 C ATOM 0 HA PRO A 39 10.059 0.943 23.468 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.421 3.128 24.459 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.353 2.835 22.732 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.588 4.700 24.398 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.365 5.035 22.864 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.746 4.274 22.952 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.775 3.782 21.622 1.00 0.00 H new ATOM 621 N SER A 40 10.474 1.008 25.971 1.00 0.00 N ATOM 622 CA SER A 40 10.505 0.685 27.402 1.00 0.00 C ATOM 623 C SER A 40 11.393 1.660 28.186 1.00 0.00 C ATOM 624 O SER A 40 12.132 2.465 27.610 1.00 0.00 O ATOM 625 CB SER A 40 11.035 -0.745 27.578 1.00 0.00 C ATOM 626 OG SER A 40 12.419 -0.801 27.262 1.00 0.00 O ATOM 0 H SER A 40 11.299 0.668 25.476 1.00 0.00 H new ATOM 0 HA SER A 40 9.492 0.770 27.794 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.876 -1.075 28.605 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.480 -1.427 26.934 1.00 0.00 H new ATOM 0 HG SER A 40 12.565 -0.436 26.364 1.00 0.00 H new ATOM 632 N LYS A 41 11.372 1.548 29.520 1.00 0.00 N ATOM 633 CA LYS A 41 12.225 2.338 30.434 1.00 0.00 C ATOM 634 C LYS A 41 13.729 2.074 30.232 1.00 0.00 C ATOM 635 O LYS A 41 14.556 2.893 30.634 1.00 0.00 O ATOM 636 CB LYS A 41 11.821 2.074 31.895 1.00 0.00 C ATOM 637 CG LYS A 41 10.396 2.563 32.207 1.00 0.00 C ATOM 638 CD LYS A 41 10.047 2.340 33.686 1.00 0.00 C ATOM 639 CE LYS A 41 8.658 2.886 34.042 1.00 0.00 C ATOM 640 NZ LYS A 41 7.575 2.129 33.377 1.00 0.00 N ATOM 0 H LYS A 41 10.755 0.898 30.008 1.00 0.00 H new ATOM 0 HA LYS A 41 12.061 3.389 30.194 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.889 1.006 32.100 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.527 2.572 32.560 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.311 3.623 31.966 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.681 2.034 31.577 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.085 1.274 33.910 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.797 2.824 34.312 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.518 2.844 35.122 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.596 3.935 33.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.653 2.510 33.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.672 2.218 32.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.637 1.126 33.646 1.00 0.00 H new ATOM 654 N SER A 42 14.078 0.950 29.599 1.00 0.00 N ATOM 655 CA SER A 42 15.456 0.535 29.291 1.00 0.00 C ATOM 656 C SER A 42 15.964 1.051 27.935 1.00 0.00 C ATOM 657 O SER A 42 17.174 1.041 27.696 1.00 0.00 O ATOM 658 CB SER A 42 15.557 -0.996 29.304 1.00 0.00 C ATOM 659 OG SER A 42 15.147 -1.515 30.562 1.00 0.00 O ATOM 0 H SER A 42 13.385 0.277 29.273 1.00 0.00 H new ATOM 0 HA SER A 42 16.084 0.977 30.064 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.935 -1.413 28.512 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.583 -1.300 29.096 1.00 0.00 H new ATOM 0 HG SER A 42 15.216 -2.492 30.551 1.00 0.00 H new ATOM 665 N CYS A 43 15.078 1.514 27.043 1.00 0.00 N ATOM 666 CA CYS A 43 15.459 2.060 25.737 1.00 0.00 C ATOM 667 C CYS A 43 16.087 3.462 25.869 1.00 0.00 C ATOM 668 O CYS A 43 15.721 4.238 26.756 1.00 0.00 O ATOM 669 CB CYS A 43 14.208 2.130 24.849 1.00 0.00 C ATOM 670 SG CYS A 43 13.602 0.467 24.439 1.00 0.00 S ATOM 0 H CYS A 43 14.072 1.520 27.210 1.00 0.00 H new ATOM 0 HA CYS A 43 16.208 1.406 25.290 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.425 2.689 25.362 1.00 0.00 H new ATOM 0 HB3 CYS A 43 14.439 2.672 23.932 1.00 0.00 H new ATOM 0 HG CYS A 43 12.544 0.563 23.690 1.00 0.00 H new ATOM 676 N GLN A 44 16.998 3.824 24.959 1.00 0.00 N ATOM 677 CA GLN A 44 17.655 5.145 24.914 1.00 0.00 C ATOM 678 C GLN A 44 16.755 6.233 24.278 1.00 0.00 C ATOM 679 O GLN A 44 17.149 6.931 23.340 1.00 0.00 O ATOM 680 CB GLN A 44 19.024 5.036 24.213 1.00 0.00 C ATOM 681 CG GLN A 44 20.004 4.072 24.902 1.00 0.00 C ATOM 682 CD GLN A 44 20.385 4.448 26.338 1.00 0.00 C ATOM 683 OE1 GLN A 44 20.280 5.582 26.782 1.00 0.00 O ATOM 684 NE2 GLN A 44 20.832 3.503 27.134 1.00 0.00 N ATOM 0 H GLN A 44 17.309 3.198 24.216 1.00 0.00 H new ATOM 0 HA GLN A 44 17.825 5.469 25.941 1.00 0.00 H new ATOM 0 HB2 GLN A 44 18.869 4.708 23.185 1.00 0.00 H new ATOM 0 HB3 GLN A 44 19.477 6.026 24.166 1.00 0.00 H new ATOM 0 HG2 GLN A 44 19.564 3.075 24.909 1.00 0.00 H new ATOM 0 HG3 GLN A 44 20.914 4.015 24.304 1.00 0.00 H new ATOM 0 HE21 GLN A 44 20.929 2.548 26.788 1.00 0.00 H new ATOM 0 HE22 GLN A 44 21.082 3.724 28.098 1.00 0.00 H new ATOM 693 N VAL A 45 15.517 6.355 24.768 1.00 0.00 N ATOM 694 CA VAL A 45 14.503 7.316 24.294 1.00 0.00 C ATOM 695 C VAL A 45 14.954 8.765 24.535 1.00 0.00 C ATOM 696 O VAL A 45 15.422 9.102 25.626 1.00 0.00 O ATOM 697 CB VAL A 45 13.139 7.077 24.985 1.00 0.00 C ATOM 698 CG1 VAL A 45 12.023 7.856 24.276 1.00 0.00 C ATOM 699 CG2 VAL A 45 12.736 5.593 25.011 1.00 0.00 C ATOM 0 H VAL A 45 15.177 5.770 25.531 1.00 0.00 H new ATOM 0 HA VAL A 45 14.388 7.157 23.222 1.00 0.00 H new ATOM 0 HB VAL A 45 13.263 7.425 26.010 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.074 7.672 24.780 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.248 8.922 24.305 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.953 7.528 23.239 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.772 5.487 25.508 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.662 5.218 23.990 1.00 0.00 H new ATOM 0 HG23 VAL A 45 13.489 5.021 25.554 1.00 0.00 H new ATOM 709 N GLU A 46 14.801 9.635 23.534 1.00 0.00 N ATOM 710 CA GLU A 46 15.155 11.060 23.606 1.00 0.00 C ATOM 711 C GLU A 46 14.295 11.895 22.640 1.00 0.00 C ATOM 712 O GLU A 46 14.127 11.523 21.480 1.00 0.00 O ATOM 713 CB GLU A 46 16.655 11.219 23.277 1.00 0.00 C ATOM 714 CG GLU A 46 17.194 12.656 23.369 1.00 0.00 C ATOM 715 CD GLU A 46 17.065 13.246 24.780 1.00 0.00 C ATOM 716 OE1 GLU A 46 18.053 13.168 25.547 1.00 0.00 O ATOM 717 OE2 GLU A 46 15.969 13.768 25.093 1.00 0.00 O ATOM 0 H GLU A 46 14.419 9.365 22.628 1.00 0.00 H new ATOM 0 HA GLU A 46 14.960 11.427 24.614 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.229 10.588 23.956 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.832 10.845 22.268 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.242 12.667 23.069 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.654 13.288 22.664 1.00 0.00 H new ATOM 724 N ASN A 47 13.768 13.036 23.102 1.00 0.00 N ATOM 725 CA ASN A 47 12.947 13.991 22.336 1.00 0.00 C ATOM 726 C ASN A 47 11.864 13.354 21.418 1.00 0.00 C ATOM 727 O ASN A 47 11.629 13.806 20.295 1.00 0.00 O ATOM 728 CB ASN A 47 13.907 14.958 21.608 1.00 0.00 C ATOM 729 CG ASN A 47 13.217 16.202 21.062 1.00 0.00 C ATOM 730 OD1 ASN A 47 12.287 16.746 21.645 1.00 0.00 O ATOM 731 ND2 ASN A 47 13.661 16.711 19.933 1.00 0.00 N ATOM 0 H ASN A 47 13.908 13.336 24.067 1.00 0.00 H new ATOM 0 HA ASN A 47 12.324 14.548 23.036 1.00 0.00 H new ATOM 0 HB2 ASN A 47 14.695 15.262 22.297 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.389 14.429 20.786 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.231 17.553 19.549 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.435 16.264 19.442 1.00 0.00 H new ATOM 738 N GLY A 48 11.211 12.279 21.881 1.00 0.00 N ATOM 739 CA GLY A 48 10.170 11.560 21.126 1.00 0.00 C ATOM 740 C GLY A 48 10.694 10.641 20.011 1.00 0.00 C ATOM 741 O GLY A 48 9.942 10.309 19.089 1.00 0.00 O ATOM 0 H GLY A 48 11.392 11.878 22.801 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.584 10.962 21.824 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.492 12.291 20.685 1.00 0.00 H new ATOM 745 N ARG A 49 11.969 10.240 20.071 1.00 0.00 N ATOM 746 CA ARG A 49 12.680 9.370 19.116 1.00 0.00 C ATOM 747 C ARG A 49 13.500 8.307 19.860 1.00 0.00 C ATOM 748 O ARG A 49 13.835 8.479 21.033 1.00 0.00 O ATOM 749 CB ARG A 49 13.653 10.221 18.263 1.00 0.00 C ATOM 750 CG ARG A 49 13.037 11.388 17.474 1.00 0.00 C ATOM 751 CD ARG A 49 12.030 10.905 16.429 1.00 0.00 C ATOM 752 NE ARG A 49 11.465 12.022 15.652 1.00 0.00 N ATOM 753 CZ ARG A 49 10.346 12.676 15.915 1.00 0.00 C ATOM 754 NH1 ARG A 49 9.928 13.611 15.107 1.00 0.00 N ATOM 755 NH2 ARG A 49 9.600 12.426 16.959 1.00 0.00 N ATOM 0 H ARG A 49 12.575 10.532 20.838 1.00 0.00 H new ATOM 0 HA ARG A 49 11.939 8.883 18.482 1.00 0.00 H new ATOM 0 HB2 ARG A 49 14.421 10.624 18.923 1.00 0.00 H new ATOM 0 HB3 ARG A 49 14.155 9.559 17.557 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.543 12.072 18.164 1.00 0.00 H new ATOM 0 HG3 ARG A 49 13.830 11.951 16.981 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.517 10.203 15.753 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.224 10.364 16.925 1.00 0.00 H new ATOM 0 HE ARG A 49 11.989 12.321 14.829 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.465 13.839 14.270 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.065 14.114 15.312 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.872 11.696 17.618 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.746 12.961 17.115 1.00 0.00 H new ATOM 769 N VAL A 50 13.873 7.231 19.166 1.00 0.00 N ATOM 770 CA VAL A 50 14.772 6.183 19.692 1.00 0.00 C ATOM 771 C VAL A 50 15.603 5.651 18.533 1.00 0.00 C ATOM 772 O VAL A 50 15.065 5.442 17.445 1.00 0.00 O ATOM 773 CB VAL A 50 14.044 4.953 20.279 1.00 0.00 C ATOM 774 CG1 VAL A 50 14.983 4.187 21.224 1.00 0.00 C ATOM 775 CG2 VAL A 50 12.744 5.244 21.008 1.00 0.00 C ATOM 0 H VAL A 50 13.560 7.053 18.212 1.00 0.00 H new ATOM 0 HA VAL A 50 15.348 6.654 20.488 1.00 0.00 H new ATOM 0 HB VAL A 50 13.769 4.358 19.409 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.461 3.322 21.633 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.862 3.853 20.672 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.293 4.842 22.038 1.00 0.00 H new ATOM 0 HG21 VAL A 50 12.318 4.312 21.379 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.939 5.913 21.847 1.00 0.00 H new ATOM 0 HG23 VAL A 50 12.041 5.717 20.323 1.00 0.00 H new ATOM 785 N ILE A 51 16.886 5.375 18.759 1.00 0.00 N ATOM 786 CA ILE A 51 17.736 4.729 17.754 1.00 0.00 C ATOM 787 C ILE A 51 17.342 3.239 17.716 1.00 0.00 C ATOM 788 O ILE A 51 17.285 2.591 18.764 1.00 0.00 O ATOM 789 CB ILE A 51 19.237 4.918 18.076 1.00 0.00 C ATOM 790 CG1 ILE A 51 19.598 6.393 18.377 1.00 0.00 C ATOM 791 CG2 ILE A 51 20.050 4.426 16.872 1.00 0.00 C ATOM 792 CD1 ILE A 51 21.080 6.634 18.692 1.00 0.00 C ATOM 0 H ILE A 51 17.364 5.589 19.634 1.00 0.00 H new ATOM 0 HA ILE A 51 17.584 5.184 16.775 1.00 0.00 H new ATOM 0 HB ILE A 51 19.470 4.345 18.974 1.00 0.00 H new ATOM 0 HG12 ILE A 51 19.318 7.005 17.519 1.00 0.00 H new ATOM 0 HG13 ILE A 51 19.000 6.735 19.222 1.00 0.00 H new ATOM 0 HG21 ILE A 51 21.114 4.550 17.076 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.835 3.372 16.694 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.780 5.006 15.989 1.00 0.00 H new ATOM 0 HD11 ILE A 51 21.242 7.694 18.890 1.00 0.00 H new ATOM 0 HD12 ILE A 51 21.365 6.053 19.569 1.00 0.00 H new ATOM 0 HD13 ILE A 51 21.688 6.327 17.841 1.00 0.00 H new ATOM 804 N ALA A 52 17.045 2.693 16.535 1.00 0.00 N ATOM 805 CA ALA A 52 16.662 1.290 16.370 1.00 0.00 C ATOM 806 C ALA A 52 17.889 0.371 16.169 1.00 0.00 C ATOM 807 O ALA A 52 18.917 0.797 15.636 1.00 0.00 O ATOM 808 CB ALA A 52 15.657 1.193 15.218 1.00 0.00 C ATOM 0 H ALA A 52 17.064 3.216 15.660 1.00 0.00 H new ATOM 0 HA ALA A 52 16.188 0.933 17.284 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.360 0.153 15.081 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.778 1.794 15.451 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.117 1.563 14.302 1.00 0.00 H new ATOM 814 N CYS A 53 17.777 -0.887 16.609 1.00 0.00 N ATOM 815 CA CYS A 53 18.827 -1.910 16.544 1.00 0.00 C ATOM 816 C CYS A 53 19.131 -2.319 15.081 1.00 0.00 C ATOM 817 O CYS A 53 18.299 -2.946 14.421 1.00 0.00 O ATOM 818 CB CYS A 53 18.357 -3.085 17.428 1.00 0.00 C ATOM 819 SG CYS A 53 19.627 -4.368 17.712 1.00 0.00 S ATOM 0 H CYS A 53 16.919 -1.234 17.037 1.00 0.00 H new ATOM 0 HA CYS A 53 19.777 -1.532 16.922 1.00 0.00 H new ATOM 0 HB2 CYS A 53 18.032 -2.692 18.392 1.00 0.00 H new ATOM 0 HB3 CYS A 53 17.487 -3.548 16.963 1.00 0.00 H new ATOM 0 HG CYS A 53 19.595 -4.743 18.956 1.00 0.00 H new ATOM 824 N PHE A 54 20.310 -1.961 14.559 1.00 0.00 N ATOM 825 CA PHE A 54 20.785 -2.261 13.196 1.00 0.00 C ATOM 826 C PHE A 54 20.678 -3.757 12.890 1.00 0.00 C ATOM 827 O PHE A 54 20.159 -4.151 11.847 1.00 0.00 O ATOM 828 CB PHE A 54 22.251 -1.799 13.047 1.00 0.00 C ATOM 829 CG PHE A 54 22.863 -1.771 11.656 1.00 0.00 C ATOM 830 CD1 PHE A 54 23.395 -0.563 11.170 1.00 0.00 C ATOM 831 CD2 PHE A 54 23.030 -2.949 10.896 1.00 0.00 C ATOM 832 CE1 PHE A 54 24.022 -0.515 9.913 1.00 0.00 C ATOM 833 CE2 PHE A 54 23.658 -2.902 9.639 1.00 0.00 C ATOM 834 CZ PHE A 54 24.140 -1.682 9.140 1.00 0.00 C ATOM 0 H PHE A 54 20.994 -1.429 15.098 1.00 0.00 H new ATOM 0 HA PHE A 54 20.155 -1.725 12.486 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.326 -0.794 13.463 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.868 -2.448 13.668 1.00 0.00 H new ATOM 0 HD1 PHE A 54 23.321 0.334 11.767 1.00 0.00 H new ATOM 0 HD2 PHE A 54 22.673 -3.892 11.283 1.00 0.00 H new ATOM 0 HE1 PHE A 54 24.414 0.420 9.541 1.00 0.00 H new ATOM 0 HE2 PHE A 54 23.770 -3.805 9.057 1.00 0.00 H new ATOM 0 HZ PHE A 54 24.601 -1.640 8.164 1.00 0.00 H new ATOM 844 N ASP A 55 21.156 -4.603 13.804 1.00 0.00 N ATOM 845 CA ASP A 55 21.111 -6.054 13.623 1.00 0.00 C ATOM 846 C ASP A 55 19.658 -6.572 13.510 1.00 0.00 C ATOM 847 O ASP A 55 19.357 -7.389 12.633 1.00 0.00 O ATOM 848 CB ASP A 55 21.922 -6.726 14.737 1.00 0.00 C ATOM 849 CG ASP A 55 23.406 -6.341 14.700 1.00 0.00 C ATOM 850 OD1 ASP A 55 24.019 -6.457 13.612 1.00 0.00 O ATOM 851 OD2 ASP A 55 23.941 -5.959 15.768 1.00 0.00 O ATOM 0 H ASP A 55 21.581 -4.305 14.682 1.00 0.00 H new ATOM 0 HA ASP A 55 21.575 -6.321 12.673 1.00 0.00 H new ATOM 0 HB2 ASP A 55 21.503 -6.449 15.704 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.829 -7.808 14.647 1.00 0.00 H new ATOM 856 N SER A 56 18.726 -6.044 14.314 1.00 0.00 N ATOM 857 CA SER A 56 17.295 -6.370 14.222 1.00 0.00 C ATOM 858 C SER A 56 16.670 -5.827 12.927 1.00 0.00 C ATOM 859 O SER A 56 15.910 -6.535 12.265 1.00 0.00 O ATOM 860 CB SER A 56 16.550 -5.818 15.439 1.00 0.00 C ATOM 861 OG SER A 56 15.204 -6.264 15.441 1.00 0.00 O ATOM 0 H SER A 56 18.944 -5.374 15.052 1.00 0.00 H new ATOM 0 HA SER A 56 17.203 -7.456 14.204 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.047 -6.140 16.354 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.578 -4.728 15.427 1.00 0.00 H new ATOM 0 HG SER A 56 14.914 -6.425 16.363 1.00 0.00 H new ATOM 867 N LEU A 57 17.027 -4.604 12.508 1.00 0.00 N ATOM 868 CA LEU A 57 16.575 -3.976 11.256 1.00 0.00 C ATOM 869 C LEU A 57 16.961 -4.809 10.018 1.00 0.00 C ATOM 870 O LEU A 57 16.197 -4.859 9.052 1.00 0.00 O ATOM 871 CB LEU A 57 17.175 -2.559 11.151 1.00 0.00 C ATOM 872 CG LEU A 57 16.553 -1.509 12.088 1.00 0.00 C ATOM 873 CD1 LEU A 57 17.474 -0.292 12.157 1.00 0.00 C ATOM 874 CD2 LEU A 57 15.183 -1.073 11.575 1.00 0.00 C ATOM 0 H LEU A 57 17.656 -4.007 13.045 1.00 0.00 H new ATOM 0 HA LEU A 57 15.487 -3.920 11.280 1.00 0.00 H new ATOM 0 HB2 LEU A 57 18.243 -2.619 11.358 1.00 0.00 H new ATOM 0 HB3 LEU A 57 17.068 -2.213 10.123 1.00 0.00 H new ATOM 0 HG LEU A 57 16.432 -1.949 13.078 1.00 0.00 H new ATOM 0 HD11 LEU A 57 17.039 0.456 12.820 1.00 0.00 H new ATOM 0 HD12 LEU A 57 18.448 -0.594 12.541 1.00 0.00 H new ATOM 0 HD13 LEU A 57 17.593 0.132 11.160 1.00 0.00 H new ATOM 0 HD21 LEU A 57 14.760 -0.330 12.252 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.288 -0.639 10.580 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.521 -1.937 11.526 1.00 0.00 H new ATOM 886 N LYS A 58 18.107 -5.504 10.063 1.00 0.00 N ATOM 887 CA LYS A 58 18.581 -6.432 9.016 1.00 0.00 C ATOM 888 C LYS A 58 17.971 -7.844 9.148 1.00 0.00 C ATOM 889 O LYS A 58 18.254 -8.718 8.327 1.00 0.00 O ATOM 890 CB LYS A 58 20.123 -6.472 9.014 1.00 0.00 C ATOM 891 CG LYS A 58 20.802 -5.140 8.636 1.00 0.00 C ATOM 892 CD LYS A 58 20.478 -4.653 7.213 1.00 0.00 C ATOM 893 CE LYS A 58 21.301 -3.415 6.829 1.00 0.00 C ATOM 894 NZ LYS A 58 20.931 -2.229 7.632 1.00 0.00 N ATOM 0 H LYS A 58 18.751 -5.437 10.851 1.00 0.00 H new ATOM 0 HA LYS A 58 18.237 -6.053 8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 58 20.466 -6.771 10.004 1.00 0.00 H new ATOM 0 HB3 LYS A 58 20.452 -7.242 8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 58 20.498 -4.374 9.349 1.00 0.00 H new ATOM 0 HG3 LYS A 58 21.882 -5.254 8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 58 20.675 -5.455 6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 58 19.416 -4.419 7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 58 22.361 -3.628 6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 58 21.154 -3.196 5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.822 -1.406 7.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 20.034 -2.410 8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 21.677 -2.036 8.330 1.00 0.00 H new ATOM 908 N GLY A 59 17.113 -8.068 10.148 1.00 0.00 N ATOM 909 CA GLY A 59 16.371 -9.310 10.400 1.00 0.00 C ATOM 910 C GLY A 59 17.042 -10.355 11.296 1.00 0.00 C ATOM 911 O GLY A 59 16.510 -11.464 11.412 1.00 0.00 O ATOM 0 H GLY A 59 16.905 -7.350 10.842 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.413 -9.046 10.847 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.156 -9.777 9.439 1.00 0.00 H new ATOM 915 N ARG A 60 18.173 -10.039 11.945 1.00 0.00 N ATOM 916 CA ARG A 60 18.872 -10.962 12.858 1.00 0.00 C ATOM 917 C ARG A 60 19.720 -10.219 13.896 1.00 0.00 C ATOM 918 O ARG A 60 20.900 -9.943 13.667 1.00 0.00 O ATOM 919 CB ARG A 60 19.709 -11.980 12.059 1.00 0.00 C ATOM 920 CG ARG A 60 20.245 -13.125 12.940 1.00 0.00 C ATOM 921 CD ARG A 60 19.161 -14.043 13.533 1.00 0.00 C ATOM 922 NE ARG A 60 18.278 -14.620 12.501 1.00 0.00 N ATOM 923 CZ ARG A 60 18.483 -15.729 11.807 1.00 0.00 C ATOM 924 NH1 ARG A 60 19.538 -16.485 11.966 1.00 0.00 N ATOM 925 NH2 ARG A 60 17.610 -16.109 10.914 1.00 0.00 N ATOM 0 H ARG A 60 18.632 -9.133 11.852 1.00 0.00 H new ATOM 0 HA ARG A 60 18.114 -11.510 13.418 1.00 0.00 H new ATOM 0 HB2 ARG A 60 19.099 -12.397 11.258 1.00 0.00 H new ATOM 0 HB3 ARG A 60 20.547 -11.466 11.587 1.00 0.00 H new ATOM 0 HG2 ARG A 60 20.930 -13.731 12.347 1.00 0.00 H new ATOM 0 HG3 ARG A 60 20.825 -12.695 13.757 1.00 0.00 H new ATOM 0 HD2 ARG A 60 19.638 -14.850 14.090 1.00 0.00 H new ATOM 0 HD3 ARG A 60 18.560 -13.477 14.244 1.00 0.00 H new ATOM 0 HE ARG A 60 17.418 -14.110 12.301 1.00 0.00 H new ATOM 0 HH11 ARG A 60 20.250 -16.230 12.650 1.00 0.00 H new ATOM 0 HH12 ARG A 60 19.649 -17.330 11.406 1.00 0.00 H new ATOM 0 HH21 ARG A 60 16.771 -15.552 10.751 1.00 0.00 H new ATOM 0 HH22 ARG A 60 17.767 -16.963 10.379 1.00 0.00 H new ATOM 939 N CYS A 61 19.105 -9.922 15.042 1.00 0.00 N ATOM 940 CA CYS A 61 19.761 -9.277 16.187 1.00 0.00 C ATOM 941 C CYS A 61 21.009 -10.085 16.624 1.00 0.00 C ATOM 942 O CYS A 61 21.013 -11.321 16.560 1.00 0.00 O ATOM 943 CB CYS A 61 18.740 -9.084 17.323 1.00 0.00 C ATOM 944 SG CYS A 61 19.388 -7.967 18.620 1.00 0.00 S ATOM 0 H CYS A 61 18.119 -10.126 15.206 1.00 0.00 H new ATOM 0 HA CYS A 61 20.121 -8.288 15.903 1.00 0.00 H new ATOM 0 HB2 CYS A 61 17.815 -8.675 16.917 1.00 0.00 H new ATOM 0 HB3 CYS A 61 18.495 -10.051 17.762 1.00 0.00 H new ATOM 0 HG CYS A 61 19.419 -6.749 18.168 1.00 0.00 H new ATOM 949 N SER A 62 22.067 -9.392 17.060 1.00 0.00 N ATOM 950 CA SER A 62 23.357 -9.991 17.469 1.00 0.00 C ATOM 951 C SER A 62 23.721 -9.721 18.940 1.00 0.00 C ATOM 952 O SER A 62 24.879 -9.866 19.343 1.00 0.00 O ATOM 953 CB SER A 62 24.473 -9.518 16.526 1.00 0.00 C ATOM 954 OG SER A 62 24.236 -9.951 15.193 1.00 0.00 O ATOM 0 H SER A 62 22.057 -8.375 17.143 1.00 0.00 H new ATOM 0 HA SER A 62 23.246 -11.072 17.390 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.538 -8.430 16.552 1.00 0.00 H new ATOM 0 HB3 SER A 62 25.432 -9.903 16.871 1.00 0.00 H new ATOM 0 HG SER A 62 24.960 -9.635 14.613 1.00 0.00 H new ATOM 1013 N CYS A 66 20.082 -5.536 24.305 1.00 0.00 N ATOM 1014 CA CYS A 66 20.561 -4.283 23.720 1.00 0.00 C ATOM 1015 C CYS A 66 19.650 -3.080 24.073 1.00 0.00 C ATOM 1016 O CYS A 66 18.440 -3.202 24.303 1.00 0.00 O ATOM 1017 CB CYS A 66 20.762 -4.471 22.197 1.00 0.00 C ATOM 1018 SG CYS A 66 19.402 -5.343 21.328 1.00 0.00 S ATOM 0 HA CYS A 66 21.527 -4.035 24.159 1.00 0.00 H new ATOM 0 HB2 CYS A 66 20.892 -3.490 21.741 1.00 0.00 H new ATOM 0 HB3 CYS A 66 21.688 -5.023 22.035 1.00 0.00 H new ATOM 0 HG CYS A 66 19.902 -6.156 20.445 1.00 0.00 H new ATOM 1023 N LYS A 67 20.279 -1.901 24.181 1.00 0.00 N ATOM 1024 CA LYS A 67 19.675 -0.618 24.600 1.00 0.00 C ATOM 1025 C LYS A 67 18.829 0.115 23.543 1.00 0.00 C ATOM 1026 O LYS A 67 18.198 1.129 23.851 1.00 0.00 O ATOM 1027 CB LYS A 67 20.807 0.284 25.122 1.00 0.00 C ATOM 1028 CG LYS A 67 21.734 0.807 24.009 1.00 0.00 C ATOM 1029 CD LYS A 67 22.979 1.487 24.589 1.00 0.00 C ATOM 1030 CE LYS A 67 23.902 1.954 23.463 1.00 0.00 C ATOM 1031 NZ LYS A 67 25.093 2.629 24.016 1.00 0.00 N ATOM 0 H LYS A 67 21.272 -1.806 23.969 1.00 0.00 H new ATOM 0 HA LYS A 67 18.945 -0.857 25.374 1.00 0.00 H new ATOM 0 HB2 LYS A 67 20.372 1.132 25.650 1.00 0.00 H new ATOM 0 HB3 LYS A 67 21.400 -0.273 25.847 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.036 -0.020 23.367 1.00 0.00 H new ATOM 0 HG3 LYS A 67 21.190 1.514 23.383 1.00 0.00 H new ATOM 0 HD2 LYS A 67 22.684 2.338 25.203 1.00 0.00 H new ATOM 0 HD3 LYS A 67 23.511 0.793 25.240 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.209 1.100 22.859 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.364 2.635 22.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 25.709 2.940 23.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 24.796 3.455 24.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 25.614 1.968 24.627 1.00 0.00 H new ATOM 1045 N TYR A 68 18.830 -0.366 22.305 1.00 0.00 N ATOM 1046 CA TYR A 68 18.115 0.227 21.172 1.00 0.00 C ATOM 1047 C TYR A 68 16.680 -0.325 21.020 1.00 0.00 C ATOM 1048 O TYR A 68 16.296 -1.310 21.656 1.00 0.00 O ATOM 1049 CB TYR A 68 18.955 -0.037 19.912 1.00 0.00 C ATOM 1050 CG TYR A 68 20.362 0.548 19.917 1.00 0.00 C ATOM 1051 CD1 TYR A 68 20.598 1.880 20.322 1.00 0.00 C ATOM 1052 CD2 TYR A 68 21.440 -0.239 19.466 1.00 0.00 C ATOM 1053 CE1 TYR A 68 21.900 2.419 20.270 1.00 0.00 C ATOM 1054 CE2 TYR A 68 22.737 0.304 19.398 1.00 0.00 C ATOM 1055 CZ TYR A 68 22.970 1.637 19.790 1.00 0.00 C ATOM 1056 OH TYR A 68 24.216 2.173 19.678 1.00 0.00 O ATOM 0 H TYR A 68 19.345 -1.208 22.050 1.00 0.00 H new ATOM 0 HA TYR A 68 17.994 1.297 21.338 1.00 0.00 H new ATOM 0 HB2 TYR A 68 19.031 -1.115 19.768 1.00 0.00 H new ATOM 0 HB3 TYR A 68 18.419 0.362 19.051 1.00 0.00 H new ATOM 0 HD1 TYR A 68 19.778 2.489 20.673 1.00 0.00 H new ATOM 0 HD2 TYR A 68 21.270 -1.264 19.171 1.00 0.00 H new ATOM 0 HE1 TYR A 68 22.078 3.432 20.598 1.00 0.00 H new ATOM 0 HE2 TYR A 68 23.557 -0.304 19.044 1.00 0.00 H new ATOM 0 HH TYR A 68 24.834 1.495 19.332 1.00 0.00 H new ATOM 1066 N LEU A 69 15.878 0.305 20.156 1.00 0.00 N ATOM 1067 CA LEU A 69 14.484 -0.065 19.882 1.00 0.00 C ATOM 1068 C LEU A 69 14.388 -1.179 18.823 1.00 0.00 C ATOM 1069 O LEU A 69 15.034 -1.106 17.777 1.00 0.00 O ATOM 1070 CB LEU A 69 13.772 1.207 19.367 1.00 0.00 C ATOM 1071 CG LEU A 69 12.391 1.011 18.710 1.00 0.00 C ATOM 1072 CD1 LEU A 69 11.324 0.588 19.720 1.00 0.00 C ATOM 1073 CD2 LEU A 69 11.954 2.314 18.048 1.00 0.00 C ATOM 0 H LEU A 69 16.189 1.110 19.612 1.00 0.00 H new ATOM 0 HA LEU A 69 14.019 -0.448 20.791 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.655 1.894 20.205 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.426 1.694 18.644 1.00 0.00 H new ATOM 0 HG LEU A 69 12.491 0.215 17.972 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.369 0.463 19.209 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.615 -0.355 20.183 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.226 1.355 20.489 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.978 2.176 17.583 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.890 3.101 18.800 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.681 2.597 17.287 1.00 0.00 H new ATOM 1085 N HIS A 70 13.542 -2.184 19.075 1.00 0.00 N ATOM 1086 CA HIS A 70 13.209 -3.228 18.098 1.00 0.00 C ATOM 1087 C HIS A 70 11.812 -2.907 17.516 1.00 0.00 C ATOM 1088 O HIS A 70 10.807 -3.134 18.199 1.00 0.00 O ATOM 1089 CB HIS A 70 13.185 -4.608 18.783 1.00 0.00 C ATOM 1090 CG HIS A 70 14.520 -5.294 18.917 1.00 0.00 C ATOM 1091 ND1 HIS A 70 14.727 -6.655 18.857 1.00 0.00 N ATOM 1092 CD2 HIS A 70 15.750 -4.709 19.078 1.00 0.00 C ATOM 1093 CE1 HIS A 70 16.047 -6.884 18.967 1.00 0.00 C ATOM 1094 NE2 HIS A 70 16.714 -5.726 19.100 1.00 0.00 N ATOM 0 H HIS A 70 13.065 -2.297 19.970 1.00 0.00 H new ATOM 0 HA HIS A 70 13.956 -3.253 17.305 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.755 -4.492 19.778 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.517 -5.261 18.221 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.942 -3.650 19.171 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.506 -7.861 18.951 1.00 0.00 H new ATOM 0 HE2 HIS A 70 17.723 -5.610 19.198 1.00 0.00 H new ATOM 1102 N PRO A 71 11.712 -2.397 16.273 1.00 0.00 N ATOM 1103 CA PRO A 71 10.435 -2.070 15.638 1.00 0.00 C ATOM 1104 C PRO A 71 9.835 -3.278 14.879 1.00 0.00 C ATOM 1105 O PRO A 71 10.563 -4.222 14.551 1.00 0.00 O ATOM 1106 CB PRO A 71 10.802 -0.940 14.674 1.00 0.00 C ATOM 1107 CG PRO A 71 12.190 -1.341 14.180 1.00 0.00 C ATOM 1108 CD PRO A 71 12.816 -2.030 15.392 1.00 0.00 C ATOM 0 HA PRO A 71 9.670 -1.790 16.362 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.089 -0.863 13.853 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.817 0.028 15.175 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.132 -2.012 13.323 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.771 -0.473 13.867 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.381 -2.912 15.089 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.513 -1.364 15.900 1.00 0.00 H new ATOM 1116 N PRO A 72 8.528 -3.271 14.554 1.00 0.00 N ATOM 1117 CA PRO A 72 7.884 -4.337 13.777 1.00 0.00 C ATOM 1118 C PRO A 72 8.311 -4.307 12.293 1.00 0.00 C ATOM 1119 O PRO A 72 8.753 -3.261 11.811 1.00 0.00 O ATOM 1120 CB PRO A 72 6.384 -4.073 13.926 1.00 0.00 C ATOM 1121 CG PRO A 72 6.314 -2.554 14.068 1.00 0.00 C ATOM 1122 CD PRO A 72 7.559 -2.239 14.894 1.00 0.00 C ATOM 0 HA PRO A 72 8.169 -5.326 14.137 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.825 -4.423 13.059 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.970 -4.579 14.798 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.333 -2.055 13.099 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.402 -2.236 14.572 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.944 -1.247 14.659 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.334 -2.249 15.961 1.00 0.00 H new ATOM 1130 N PRO A 73 8.165 -5.416 11.535 1.00 0.00 N ATOM 1131 CA PRO A 73 8.549 -5.524 10.119 1.00 0.00 C ATOM 1132 C PRO A 73 8.170 -4.344 9.208 1.00 0.00 C ATOM 1133 O PRO A 73 8.990 -3.919 8.390 1.00 0.00 O ATOM 1134 CB PRO A 73 7.933 -6.838 9.630 1.00 0.00 C ATOM 1135 CG PRO A 73 7.937 -7.703 10.886 1.00 0.00 C ATOM 1136 CD PRO A 73 7.642 -6.698 11.999 1.00 0.00 C ATOM 0 HA PRO A 73 9.637 -5.503 10.058 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.925 -6.692 9.243 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.520 -7.286 8.829 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.180 -8.486 10.839 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.898 -8.197 11.033 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.571 -6.635 12.194 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.118 -6.999 12.932 1.00 0.00 H new ATOM 1144 N HIS A 74 6.965 -3.773 9.347 1.00 0.00 N ATOM 1145 CA HIS A 74 6.551 -2.611 8.540 1.00 0.00 C ATOM 1146 C HIS A 74 7.414 -1.373 8.826 1.00 0.00 C ATOM 1147 O HIS A 74 7.877 -0.718 7.892 1.00 0.00 O ATOM 1148 CB HIS A 74 5.039 -2.349 8.687 1.00 0.00 C ATOM 1149 CG HIS A 74 4.559 -1.988 10.073 1.00 0.00 C ATOM 1150 ND1 HIS A 74 4.084 -2.871 11.026 1.00 0.00 N ATOM 1151 CD2 HIS A 74 4.400 -0.722 10.567 1.00 0.00 C ATOM 1152 CE1 HIS A 74 3.644 -2.154 12.078 1.00 0.00 C ATOM 1153 NE2 HIS A 74 3.843 -0.846 11.827 1.00 0.00 N ATOM 0 H HIS A 74 6.259 -4.095 10.009 1.00 0.00 H new ATOM 0 HA HIS A 74 6.726 -2.849 7.491 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.763 -1.543 8.007 1.00 0.00 H new ATOM 0 HB3 HIS A 74 4.503 -3.240 8.359 1.00 0.00 H new ATOM 0 HD2 HIS A 74 4.660 0.200 10.068 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.204 -2.562 12.976 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.621 -0.077 12.459 1.00 0.00 H new ATOM 1162 N LEU A 75 7.718 -1.088 10.097 1.00 0.00 N ATOM 1163 CA LEU A 75 8.618 0.007 10.482 1.00 0.00 C ATOM 1164 C LEU A 75 10.085 -0.327 10.155 1.00 0.00 C ATOM 1165 O LEU A 75 10.811 0.574 9.734 1.00 0.00 O ATOM 1166 CB LEU A 75 8.407 0.387 11.960 1.00 0.00 C ATOM 1167 CG LEU A 75 7.200 1.315 12.214 1.00 0.00 C ATOM 1168 CD1 LEU A 75 6.967 1.492 13.715 1.00 0.00 C ATOM 1169 CD2 LEU A 75 7.399 2.713 11.619 1.00 0.00 C ATOM 0 H LEU A 75 7.346 -1.611 10.890 1.00 0.00 H new ATOM 0 HA LEU A 75 8.369 0.886 9.887 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.277 -0.525 12.542 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.309 0.875 12.329 1.00 0.00 H new ATOM 0 HG LEU A 75 6.347 0.836 11.733 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.112 2.149 13.876 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.769 0.521 14.169 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.854 1.932 14.171 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.521 3.325 11.826 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.278 3.177 12.066 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.539 2.633 10.541 1.00 0.00 H new ATOM 1181 N LYS A 76 10.518 -1.600 10.242 1.00 0.00 N ATOM 1182 CA LYS A 76 11.869 -2.015 9.793 1.00 0.00 C ATOM 1183 C LYS A 76 12.048 -1.677 8.311 1.00 0.00 C ATOM 1184 O LYS A 76 13.074 -1.125 7.918 1.00 0.00 O ATOM 1185 CB LYS A 76 12.125 -3.528 9.977 1.00 0.00 C ATOM 1186 CG LYS A 76 12.210 -4.017 11.427 1.00 0.00 C ATOM 1187 CD LYS A 76 12.560 -5.510 11.491 1.00 0.00 C ATOM 1188 CE LYS A 76 12.663 -5.967 12.948 1.00 0.00 C ATOM 1189 NZ LYS A 76 13.128 -7.365 13.039 1.00 0.00 N ATOM 0 H LYS A 76 9.954 -2.362 10.619 1.00 0.00 H new ATOM 0 HA LYS A 76 12.582 -1.472 10.413 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.328 -4.076 9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.056 -3.784 9.472 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.964 -3.441 11.964 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.258 -3.842 11.929 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.798 -6.092 10.973 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.504 -5.692 10.978 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.351 -5.317 13.488 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.690 -5.873 13.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.980 -7.718 14.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.592 -7.954 12.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.140 -7.410 12.805 1.00 0.00 H new ATOM 1203 N THR A 77 11.030 -1.966 7.497 1.00 0.00 N ATOM 1204 CA THR A 77 11.024 -1.664 6.058 1.00 0.00 C ATOM 1205 C THR A 77 11.081 -0.155 5.804 1.00 0.00 C ATOM 1206 O THR A 77 11.889 0.288 4.989 1.00 0.00 O ATOM 1207 CB THR A 77 9.802 -2.280 5.357 1.00 0.00 C ATOM 1208 OG1 THR A 77 9.752 -3.675 5.581 1.00 0.00 O ATOM 1209 CG2 THR A 77 9.871 -2.083 3.844 1.00 0.00 C ATOM 0 H THR A 77 10.176 -2.421 7.819 1.00 0.00 H new ATOM 0 HA THR A 77 11.921 -2.116 5.633 1.00 0.00 H new ATOM 0 HB THR A 77 8.924 -1.781 5.768 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.486 -3.848 6.508 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.993 -2.530 3.378 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.900 -1.017 3.617 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.770 -2.561 3.455 1.00 0.00 H new ATOM 1217 N GLN A 78 10.291 0.659 6.521 1.00 0.00 N ATOM 1218 CA GLN A 78 10.334 2.123 6.377 1.00 0.00 C ATOM 1219 C GLN A 78 11.718 2.680 6.749 1.00 0.00 C ATOM 1220 O GLN A 78 12.230 3.578 6.074 1.00 0.00 O ATOM 1221 CB GLN A 78 9.237 2.784 7.233 1.00 0.00 C ATOM 1222 CG GLN A 78 7.813 2.549 6.702 1.00 0.00 C ATOM 1223 CD GLN A 78 7.567 3.217 5.350 1.00 0.00 C ATOM 1224 OE1 GLN A 78 7.620 2.596 4.297 1.00 0.00 O ATOM 1225 NE2 GLN A 78 7.296 4.506 5.318 1.00 0.00 N ATOM 0 H GLN A 78 9.613 0.328 7.208 1.00 0.00 H new ATOM 0 HA GLN A 78 10.148 2.361 5.330 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.303 2.401 8.251 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.424 3.857 7.283 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.637 1.477 6.610 1.00 0.00 H new ATOM 0 HG3 GLN A 78 7.093 2.929 7.426 1.00 0.00 H new ATOM 0 HE21 GLN A 78 7.248 5.039 6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.134 4.971 4.425 1.00 0.00 H new ATOM 1234 N LEU A 79 12.347 2.131 7.790 1.00 0.00 N ATOM 1235 CA LEU A 79 13.692 2.511 8.218 1.00 0.00 C ATOM 1236 C LEU A 79 14.732 2.128 7.148 1.00 0.00 C ATOM 1237 O LEU A 79 15.548 2.965 6.765 1.00 0.00 O ATOM 1238 CB LEU A 79 13.958 1.876 9.594 1.00 0.00 C ATOM 1239 CG LEU A 79 15.149 2.422 10.406 1.00 0.00 C ATOM 1240 CD1 LEU A 79 16.512 2.095 9.801 1.00 0.00 C ATOM 1241 CD2 LEU A 79 15.048 3.930 10.629 1.00 0.00 C ATOM 0 H LEU A 79 11.930 1.400 8.366 1.00 0.00 H new ATOM 0 HA LEU A 79 13.777 3.592 8.327 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.058 1.990 10.198 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.111 0.807 9.448 1.00 0.00 H new ATOM 0 HG LEU A 79 15.082 1.906 11.364 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.299 2.513 10.429 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.633 1.013 9.739 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.579 2.525 8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 79 15.908 4.271 11.205 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.031 4.440 9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.132 4.157 11.175 1.00 0.00 H new ATOM 1253 N GLU A 80 14.679 0.908 6.592 1.00 0.00 N ATOM 1254 CA GLU A 80 15.594 0.512 5.511 1.00 0.00 C ATOM 1255 C GLU A 80 15.406 1.375 4.255 1.00 0.00 C ATOM 1256 O GLU A 80 16.395 1.720 3.614 1.00 0.00 O ATOM 1257 CB GLU A 80 15.475 -0.980 5.167 1.00 0.00 C ATOM 1258 CG GLU A 80 16.134 -1.875 6.227 1.00 0.00 C ATOM 1259 CD GLU A 80 16.445 -3.258 5.642 1.00 0.00 C ATOM 1260 OE1 GLU A 80 17.602 -3.455 5.196 1.00 0.00 O ATOM 1261 OE2 GLU A 80 15.523 -4.109 5.609 1.00 0.00 O ATOM 0 H GLU A 80 14.017 0.183 6.871 1.00 0.00 H new ATOM 0 HA GLU A 80 16.602 0.684 5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 80 14.422 -1.246 5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.939 -1.166 4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.053 -1.410 6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.473 -1.978 7.087 1.00 0.00 H new ATOM 1268 N ILE A 81 14.179 1.794 3.916 1.00 0.00 N ATOM 1269 CA ILE A 81 13.926 2.717 2.792 1.00 0.00 C ATOM 1270 C ILE A 81 14.610 4.070 3.059 1.00 0.00 C ATOM 1271 O ILE A 81 15.256 4.624 2.166 1.00 0.00 O ATOM 1272 CB ILE A 81 12.405 2.849 2.530 1.00 0.00 C ATOM 1273 CG1 ILE A 81 11.884 1.534 1.904 1.00 0.00 C ATOM 1274 CG2 ILE A 81 12.076 4.036 1.604 1.00 0.00 C ATOM 1275 CD1 ILE A 81 10.355 1.403 1.900 1.00 0.00 C ATOM 0 H ILE A 81 13.334 1.506 4.409 1.00 0.00 H new ATOM 0 HA ILE A 81 14.363 2.313 1.879 1.00 0.00 H new ATOM 0 HB ILE A 81 11.913 3.037 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 81 12.246 1.464 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 81 12.308 0.691 2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.998 4.089 1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.422 4.962 2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.574 3.898 0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.072 0.454 1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.984 1.439 2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.921 2.223 1.328 1.00 0.00 H new ATOM 1287 N ASN A 82 14.533 4.584 4.292 1.00 0.00 N ATOM 1288 CA ASN A 82 15.223 5.818 4.695 1.00 0.00 C ATOM 1289 C ASN A 82 16.754 5.664 4.588 1.00 0.00 C ATOM 1290 O ASN A 82 17.429 6.575 4.106 1.00 0.00 O ATOM 1291 CB ASN A 82 14.787 6.229 6.114 1.00 0.00 C ATOM 1292 CG ASN A 82 13.514 7.057 6.099 1.00 0.00 C ATOM 1293 OD1 ASN A 82 13.543 8.279 6.068 1.00 0.00 O ATOM 1294 ND2 ASN A 82 12.358 6.434 6.104 1.00 0.00 N ATOM 0 H ASN A 82 13.989 4.156 5.041 1.00 0.00 H new ATOM 0 HA ASN A 82 14.938 6.616 4.009 1.00 0.00 H new ATOM 0 HB2 ASN A 82 14.632 5.336 6.719 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.586 6.800 6.588 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.490 6.969 6.082 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.328 5.415 6.130 1.00 0.00 H new ATOM 1301 N GLY A 83 17.300 4.506 4.978 1.00 0.00 N ATOM 1302 CA GLY A 83 18.728 4.195 4.855 1.00 0.00 C ATOM 1303 C GLY A 83 19.165 4.115 3.388 1.00 0.00 C ATOM 1304 O GLY A 83 20.091 4.815 2.977 1.00 0.00 O ATOM 0 H GLY A 83 16.755 3.750 5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.313 4.959 5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.938 3.247 5.350 1.00 0.00 H new