USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 30:sc= 0.837 USER MOD Set 1.2: A 73 HIS : no HE2:sc= -4.26! C(o=-3.4!,f=-4.4!) USER MOD Set 2.1: A 23 GLN : amide:sc= 0.0274 X(o=-2.2,f=-2.3) USER MOD Set 2.2: A 39 CYS SG : rot 163:sc= -2.23 USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= -0.0734 (180deg=-0.441) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -150:sc= -0.55 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -3.19! C(o=-3.2!,f=-3.9!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -145:sc= 0 (180deg=-0.135) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= -0.0329 (180deg=-0.246) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -4.61! USER MOD Single : A 48 ASN : amide:sc= -2.29 K(o=-2.3,f=-3.8!) USER MOD Single : A 49 GLN : amide:sc= -0.0978 X(o=-0.098,f=0) USER MOD Single : A 50 SER OG : rot 164:sc= 0.0388 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0243) USER MOD Single : A 62 ASN : amide:sc=-0.00787 X(o=-0.0079,f=0) USER MOD Single : A 63 CYS SG : rot 170:sc= -0.479 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -36:sc= 0.504 USER MOD Single : A 79 ASN : amide:sc= -0.0592 X(o=-0.059,f=-0.38) USER MOD Single : A 83 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.26) USER MOD Single : A 85 CYS SG : rot -150:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 8 -2.881 12.564 -9.724 1.00 0.00 N ATOM 152 CA GLU A 8 -2.349 11.354 -9.107 1.00 0.00 C ATOM 153 C GLU A 8 -0.835 11.449 -8.940 1.00 0.00 C ATOM 154 O GLU A 8 -0.130 10.441 -8.996 1.00 0.00 O ATOM 155 CB GLU A 8 -2.705 10.127 -9.948 1.00 0.00 C ATOM 156 CG GLU A 8 -4.171 10.062 -10.340 1.00 0.00 C ATOM 157 CD GLU A 8 -4.602 8.669 -10.757 1.00 0.00 C ATOM 158 OE1 GLU A 8 -4.413 8.318 -11.940 1.00 0.00 O ATOM 159 OE2 GLU A 8 -5.129 7.930 -9.899 1.00 0.00 O ATOM 0 HA GLU A 8 -2.800 11.252 -8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.096 10.127 -10.852 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.447 9.227 -9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.783 10.391 -9.500 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.355 10.756 -11.160 1.00 0.00 H new ATOM 166 N ILE A 9 -0.343 12.667 -8.736 1.00 0.00 N ATOM 167 CA ILE A 9 1.086 12.893 -8.561 1.00 0.00 C ATOM 168 C ILE A 9 1.599 12.216 -7.295 1.00 0.00 C ATOM 169 O ILE A 9 2.471 11.350 -7.351 1.00 0.00 O ATOM 170 CB ILE A 9 1.413 14.397 -8.494 1.00 0.00 C ATOM 171 CG1 ILE A 9 0.732 15.141 -9.644 1.00 0.00 C ATOM 172 CG2 ILE A 9 2.919 14.613 -8.533 1.00 0.00 C ATOM 173 CD1 ILE A 9 1.010 16.628 -9.650 1.00 0.00 C ATOM 0 H ILE A 9 -0.913 13.512 -8.688 1.00 0.00 H new ATOM 0 HA ILE A 9 1.583 12.459 -9.429 1.00 0.00 H new ATOM 0 HB ILE A 9 1.033 14.796 -7.554 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.064 14.714 -10.590 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.344 14.981 -9.583 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.135 15.680 -8.485 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.381 14.111 -7.683 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.322 14.203 -9.459 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.496 17.091 -10.492 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.652 17.069 -8.720 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.083 16.797 -9.743 1.00 0.00 H new ATOM 185 N GLY A 10 1.050 12.615 -6.152 1.00 0.00 N ATOM 186 CA GLY A 10 1.463 12.035 -4.887 1.00 0.00 C ATOM 187 C GLY A 10 0.756 10.727 -4.591 1.00 0.00 C ATOM 188 O GLY A 10 0.711 10.283 -3.444 1.00 0.00 O ATOM 0 H GLY A 10 0.326 13.330 -6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.540 11.867 -4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.262 12.743 -4.083 1.00 0.00 H new ATOM 192 N LYS A 11 0.200 10.109 -5.628 1.00 0.00 N ATOM 193 CA LYS A 11 -0.509 8.844 -5.474 1.00 0.00 C ATOM 194 C LYS A 11 0.351 7.677 -5.949 1.00 0.00 C ATOM 195 O LYS A 11 0.988 7.750 -7.001 1.00 0.00 O ATOM 196 CB LYS A 11 -1.823 8.874 -6.257 1.00 0.00 C ATOM 197 CG LYS A 11 -2.753 7.719 -5.929 1.00 0.00 C ATOM 198 CD LYS A 11 -4.112 7.894 -6.586 1.00 0.00 C ATOM 199 CE LYS A 11 -4.924 8.986 -5.906 1.00 0.00 C ATOM 200 NZ LYS A 11 -5.232 8.647 -4.489 1.00 0.00 N ATOM 0 H LYS A 11 0.227 10.464 -6.584 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.727 8.705 -4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.337 9.813 -6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.601 8.859 -7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.304 6.783 -6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.877 7.646 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.979 8.141 -7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.661 6.953 -6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.372 9.925 -5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.854 9.141 -6.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.041 9.214 -4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.467 7.636 -4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.404 8.853 -3.895 1.00 0.00 H new ATOM 214 N LEU A 12 0.365 6.603 -5.168 1.00 0.00 N ATOM 215 CA LEU A 12 1.146 5.419 -5.510 1.00 0.00 C ATOM 216 C LEU A 12 0.263 4.176 -5.547 1.00 0.00 C ATOM 217 O LEU A 12 -0.357 3.811 -4.547 1.00 0.00 O ATOM 218 CB LEU A 12 2.280 5.223 -4.501 1.00 0.00 C ATOM 219 CG LEU A 12 3.410 4.289 -4.935 1.00 0.00 C ATOM 220 CD1 LEU A 12 4.259 4.943 -6.014 1.00 0.00 C ATOM 221 CD2 LEU A 12 4.269 3.901 -3.740 1.00 0.00 C ATOM 0 H LEU A 12 -0.155 6.527 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 12 1.572 5.569 -6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.709 6.199 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.853 4.838 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 12 2.968 3.383 -5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.058 4.263 -6.310 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.636 5.170 -6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.692 5.865 -5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.068 3.236 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.702 4.798 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.653 3.391 -2.999 1.00 0.00 H new ATOM 233 N PHE A 13 0.211 3.527 -6.705 1.00 0.00 N ATOM 234 CA PHE A 13 -0.595 2.324 -6.873 1.00 0.00 C ATOM 235 C PHE A 13 0.263 1.070 -6.728 1.00 0.00 C ATOM 236 O PHE A 13 1.267 0.908 -7.421 1.00 0.00 O ATOM 237 CB PHE A 13 -1.282 2.330 -8.240 1.00 0.00 C ATOM 238 CG PHE A 13 -1.672 0.962 -8.722 1.00 0.00 C ATOM 239 CD1 PHE A 13 -0.725 0.107 -9.261 1.00 0.00 C ATOM 240 CD2 PHE A 13 -2.986 0.531 -8.635 1.00 0.00 C ATOM 241 CE1 PHE A 13 -1.081 -1.152 -9.705 1.00 0.00 C ATOM 242 CE2 PHE A 13 -3.349 -0.727 -9.077 1.00 0.00 C ATOM 243 CZ PHE A 13 -2.395 -1.570 -9.612 1.00 0.00 C ATOM 0 H PHE A 13 0.718 3.814 -7.542 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.356 2.315 -6.092 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.173 2.955 -8.187 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.615 2.787 -8.971 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.303 0.428 -9.335 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.736 1.186 -8.217 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.333 -1.809 -10.124 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.377 -1.050 -9.004 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.675 -2.554 -9.957 1.00 0.00 H new ATOM 253 N VAL A 14 -0.141 0.185 -5.822 1.00 0.00 N ATOM 254 CA VAL A 14 0.589 -1.055 -5.586 1.00 0.00 C ATOM 255 C VAL A 14 0.050 -2.184 -6.457 1.00 0.00 C ATOM 256 O VAL A 14 -1.108 -2.579 -6.333 1.00 0.00 O ATOM 257 CB VAL A 14 0.511 -1.479 -4.107 1.00 0.00 C ATOM 258 CG1 VAL A 14 1.366 -2.713 -3.860 1.00 0.00 C ATOM 259 CG2 VAL A 14 0.938 -0.334 -3.202 1.00 0.00 C ATOM 0 H VAL A 14 -0.970 0.304 -5.239 1.00 0.00 H new ATOM 0 HA VAL A 14 1.630 -0.865 -5.847 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.523 -1.730 -3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.299 -2.998 -2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.009 -3.534 -4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.404 -2.493 -4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.877 -0.651 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.964 -0.049 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.280 0.520 -3.361 1.00 0.00 H new ATOM 269 N GLY A 15 0.900 -2.701 -7.339 1.00 0.00 N ATOM 270 CA GLY A 15 0.491 -3.781 -8.218 1.00 0.00 C ATOM 271 C GLY A 15 1.156 -5.098 -7.866 1.00 0.00 C ATOM 272 O GLY A 15 2.173 -5.464 -8.453 1.00 0.00 O ATOM 0 H GLY A 15 1.864 -2.391 -7.460 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.591 -3.898 -8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.733 -3.519 -9.248 1.00 0.00 H new ATOM 276 N GLY A 16 0.580 -5.812 -6.904 1.00 0.00 N ATOM 277 CA GLY A 16 1.138 -7.086 -6.491 1.00 0.00 C ATOM 278 C GLY A 16 0.968 -7.339 -5.006 1.00 0.00 C ATOM 279 O GLY A 16 1.874 -7.851 -4.348 1.00 0.00 O ATOM 0 H GLY A 16 -0.263 -5.531 -6.403 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.657 -7.888 -7.051 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.198 -7.113 -6.742 1.00 0.00 H new ATOM 283 N LEU A 17 -0.196 -6.979 -4.475 1.00 0.00 N ATOM 284 CA LEU A 17 -0.481 -7.168 -3.057 1.00 0.00 C ATOM 285 C LEU A 17 -0.834 -8.623 -2.763 1.00 0.00 C ATOM 286 O LEU A 17 -0.894 -9.453 -3.669 1.00 0.00 O ATOM 287 CB LEU A 17 -1.629 -6.255 -2.622 1.00 0.00 C ATOM 288 CG LEU A 17 -1.281 -4.776 -2.449 1.00 0.00 C ATOM 289 CD1 LEU A 17 -2.545 -3.944 -2.299 1.00 0.00 C ATOM 290 CD2 LEU A 17 -0.366 -4.580 -1.249 1.00 0.00 C ATOM 0 H LEU A 17 -0.957 -6.555 -5.005 1.00 0.00 H new ATOM 0 HA LEU A 17 0.415 -6.909 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.430 -6.336 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.025 -6.627 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.753 -4.440 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.277 -2.894 -2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.164 -4.060 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.101 -4.281 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.129 -3.522 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.867 -4.933 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.554 -5.145 -1.397 1.00 0.00 H new ATOM 302 N ASP A 18 -1.069 -8.923 -1.490 1.00 0.00 N ATOM 303 CA ASP A 18 -1.419 -10.276 -1.075 1.00 0.00 C ATOM 304 C ASP A 18 -2.797 -10.305 -0.422 1.00 0.00 C ATOM 305 O ASP A 18 -3.118 -9.457 0.410 1.00 0.00 O ATOM 306 CB ASP A 18 -0.370 -10.823 -0.106 1.00 0.00 C ATOM 307 CG ASP A 18 -0.453 -12.329 0.047 1.00 0.00 C ATOM 308 OD1 ASP A 18 -1.448 -12.813 0.625 1.00 0.00 O ATOM 309 OD2 ASP A 18 0.479 -13.024 -0.411 1.00 0.00 O ATOM 0 H ASP A 18 -1.023 -8.247 -0.728 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.445 -10.907 -1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.624 -10.551 -0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.501 -10.354 0.869 1.00 0.00 H new ATOM 314 N TRP A 19 -3.608 -11.284 -0.806 1.00 0.00 N ATOM 315 CA TRP A 19 -4.952 -11.423 -0.259 1.00 0.00 C ATOM 316 C TRP A 19 -4.967 -11.114 1.234 1.00 0.00 C ATOM 317 O TRP A 19 -5.925 -10.538 1.749 1.00 0.00 O ATOM 318 CB TRP A 19 -5.483 -12.836 -0.505 1.00 0.00 C ATOM 319 CG TRP A 19 -4.548 -13.911 -0.039 1.00 0.00 C ATOM 320 CD1 TRP A 19 -3.645 -14.598 -0.799 1.00 0.00 C ATOM 321 CD2 TRP A 19 -4.427 -14.423 1.293 1.00 0.00 C ATOM 322 NE1 TRP A 19 -2.969 -15.506 -0.019 1.00 0.00 N ATOM 323 CE2 TRP A 19 -3.430 -15.417 1.268 1.00 0.00 C ATOM 324 CE3 TRP A 19 -5.061 -14.136 2.504 1.00 0.00 C ATOM 325 CZ2 TRP A 19 -3.056 -16.125 2.407 1.00 0.00 C ATOM 326 CZ3 TRP A 19 -4.690 -14.840 3.634 1.00 0.00 C ATOM 327 CH2 TRP A 19 -3.694 -15.824 3.579 1.00 0.00 C ATOM 0 H TRP A 19 -3.358 -11.994 -1.495 1.00 0.00 H new ATOM 0 HA TRP A 19 -5.599 -10.707 -0.766 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -6.440 -12.951 0.004 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -5.672 -12.965 -1.571 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -3.485 -14.450 -1.857 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -2.242 -16.143 -0.346 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -5.828 -13.377 2.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -2.289 -16.885 2.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -5.176 -14.628 4.575 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -3.425 -16.355 4.480 1.00 0.00 H new ATOM 338 N SER A 20 -3.898 -11.500 1.924 1.00 0.00 N ATOM 339 CA SER A 20 -3.790 -11.267 3.360 1.00 0.00 C ATOM 340 C SER A 20 -3.448 -9.809 3.649 1.00 0.00 C ATOM 341 O SER A 20 -3.994 -9.201 4.571 1.00 0.00 O ATOM 342 CB SER A 20 -2.726 -12.183 3.968 1.00 0.00 C ATOM 343 OG SER A 20 -2.676 -12.041 5.377 1.00 0.00 O ATOM 0 H SER A 20 -3.095 -11.975 1.512 1.00 0.00 H new ATOM 0 HA SER A 20 -4.755 -11.492 3.814 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.944 -13.220 3.711 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.751 -11.947 3.541 1.00 0.00 H new ATOM 0 HG SER A 20 -1.990 -12.638 5.742 1.00 0.00 H new ATOM 349 N THR A 21 -2.538 -9.252 2.855 1.00 0.00 N ATOM 350 CA THR A 21 -2.120 -7.866 3.025 1.00 0.00 C ATOM 351 C THR A 21 -3.282 -6.995 3.490 1.00 0.00 C ATOM 352 O THR A 21 -4.392 -7.088 2.964 1.00 0.00 O ATOM 353 CB THR A 21 -1.550 -7.287 1.717 1.00 0.00 C ATOM 354 OG1 THR A 21 -0.526 -8.148 1.205 1.00 0.00 O ATOM 355 CG2 THR A 21 -0.982 -5.894 1.945 1.00 0.00 C ATOM 0 H THR A 21 -2.076 -9.740 2.088 1.00 0.00 H new ATOM 0 HA THR A 21 -1.339 -7.862 3.786 1.00 0.00 H new ATOM 0 HB THR A 21 -2.361 -7.217 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.131 -7.616 0.709 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.585 -5.505 1.007 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.771 -5.234 2.307 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.183 -5.943 2.685 1.00 0.00 H new ATOM 363 N THR A 22 -3.020 -6.146 4.479 1.00 0.00 N ATOM 364 CA THR A 22 -4.044 -5.258 5.015 1.00 0.00 C ATOM 365 C THR A 22 -3.690 -3.797 4.764 1.00 0.00 C ATOM 366 O THR A 22 -2.547 -3.472 4.445 1.00 0.00 O ATOM 367 CB THR A 22 -4.241 -5.475 6.527 1.00 0.00 C ATOM 368 OG1 THR A 22 -2.976 -5.436 7.196 1.00 0.00 O ATOM 369 CG2 THR A 22 -4.922 -6.808 6.798 1.00 0.00 C ATOM 0 H THR A 22 -2.107 -6.055 4.925 1.00 0.00 H new ATOM 0 HA THR A 22 -4.973 -5.498 4.498 1.00 0.00 H new ATOM 0 HB THR A 22 -4.878 -4.676 6.907 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.110 -5.573 8.157 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.050 -6.939 7.872 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.897 -6.824 6.311 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.307 -7.617 6.405 1.00 0.00 H new ATOM 377 N GLN A 23 -4.678 -2.920 4.913 1.00 0.00 N ATOM 378 CA GLN A 23 -4.469 -1.492 4.703 1.00 0.00 C ATOM 379 C GLN A 23 -3.635 -0.892 5.830 1.00 0.00 C ATOM 380 O GLN A 23 -2.784 -0.036 5.596 1.00 0.00 O ATOM 381 CB GLN A 23 -5.812 -0.768 4.604 1.00 0.00 C ATOM 382 CG GLN A 23 -6.354 -0.680 3.186 1.00 0.00 C ATOM 383 CD GLN A 23 -7.818 -0.291 3.144 1.00 0.00 C ATOM 384 OE1 GLN A 23 -8.696 -1.146 3.018 1.00 0.00 O ATOM 385 NE2 GLN A 23 -8.091 1.004 3.249 1.00 0.00 N ATOM 0 H GLN A 23 -5.630 -3.173 5.178 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.926 -1.364 3.767 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.540 -1.283 5.231 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.702 0.240 5.005 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.772 0.050 2.623 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.223 -1.642 2.691 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.333 1.678 3.352 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.059 1.325 3.227 1.00 0.00 H new ATOM 394 N GLU A 24 -3.888 -1.348 7.053 1.00 0.00 N ATOM 395 CA GLU A 24 -3.161 -0.854 8.217 1.00 0.00 C ATOM 396 C GLU A 24 -1.655 -1.004 8.021 1.00 0.00 C ATOM 397 O GLU A 24 -0.925 -0.015 7.946 1.00 0.00 O ATOM 398 CB GLU A 24 -3.600 -1.603 9.476 1.00 0.00 C ATOM 399 CG GLU A 24 -4.772 -0.955 10.193 1.00 0.00 C ATOM 400 CD GLU A 24 -6.110 -1.334 9.587 1.00 0.00 C ATOM 401 OE1 GLU A 24 -6.425 -0.834 8.487 1.00 0.00 O ATOM 402 OE2 GLU A 24 -6.840 -2.130 10.212 1.00 0.00 O ATOM 0 H GLU A 24 -4.590 -2.058 7.263 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.391 0.205 8.335 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.870 -2.624 9.205 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.756 -1.668 10.163 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.757 -1.247 11.243 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.658 0.129 10.162 1.00 0.00 H new ATOM 409 N THR A 25 -1.196 -2.249 7.941 1.00 0.00 N ATOM 410 CA THR A 25 0.222 -2.530 7.756 1.00 0.00 C ATOM 411 C THR A 25 0.766 -1.826 6.518 1.00 0.00 C ATOM 412 O THR A 25 1.884 -1.308 6.526 1.00 0.00 O ATOM 413 CB THR A 25 0.483 -4.042 7.629 1.00 0.00 C ATOM 414 OG1 THR A 25 0.157 -4.701 8.858 1.00 0.00 O ATOM 415 CG2 THR A 25 1.937 -4.313 7.273 1.00 0.00 C ATOM 0 H THR A 25 -1.786 -3.079 8.001 1.00 0.00 H new ATOM 0 HA THR A 25 0.736 -2.153 8.640 1.00 0.00 H new ATOM 0 HB THR A 25 -0.149 -4.431 6.830 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.324 -5.662 8.768 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.097 -5.388 7.189 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.174 -3.835 6.322 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.584 -3.910 8.052 1.00 0.00 H new ATOM 423 N LEU A 26 -0.031 -1.809 5.456 1.00 0.00 N ATOM 424 CA LEU A 26 0.370 -1.167 4.209 1.00 0.00 C ATOM 425 C LEU A 26 0.826 0.268 4.457 1.00 0.00 C ATOM 426 O LEU A 26 1.846 0.706 3.925 1.00 0.00 O ATOM 427 CB LEU A 26 -0.788 -1.180 3.209 1.00 0.00 C ATOM 428 CG LEU A 26 -0.462 -0.692 1.797 1.00 0.00 C ATOM 429 CD1 LEU A 26 0.585 -1.587 1.152 1.00 0.00 C ATOM 430 CD2 LEU A 26 -1.722 -0.643 0.946 1.00 0.00 C ATOM 0 H LEU A 26 -0.959 -2.232 5.433 1.00 0.00 H new ATOM 0 HA LEU A 26 1.207 -1.729 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.171 -2.198 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.593 -0.563 3.608 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.055 0.317 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.805 -1.225 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.496 -1.571 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.206 -2.607 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.471 -0.294 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.158 -1.640 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.441 0.040 1.399 1.00 0.00 H new ATOM 442 N ARG A 27 0.064 0.993 5.270 1.00 0.00 N ATOM 443 CA ARG A 27 0.390 2.378 5.589 1.00 0.00 C ATOM 444 C ARG A 27 1.832 2.499 6.074 1.00 0.00 C ATOM 445 O ARG A 27 2.668 3.119 5.417 1.00 0.00 O ATOM 446 CB ARG A 27 -0.565 2.915 6.656 1.00 0.00 C ATOM 447 CG ARG A 27 -1.815 3.564 6.084 1.00 0.00 C ATOM 448 CD ARG A 27 -2.920 3.657 7.124 1.00 0.00 C ATOM 449 NE ARG A 27 -2.736 4.796 8.019 1.00 0.00 N ATOM 450 CZ ARG A 27 -2.938 6.058 7.654 1.00 0.00 C ATOM 451 NH1 ARG A 27 -3.329 6.339 6.419 1.00 0.00 N ATOM 452 NH2 ARG A 27 -2.749 7.040 8.526 1.00 0.00 N ATOM 0 H ARG A 27 -0.783 0.644 5.719 1.00 0.00 H new ATOM 0 HA ARG A 27 0.280 2.970 4.681 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.859 2.097 7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.037 3.644 7.271 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.573 4.562 5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.167 2.987 5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.884 3.743 6.622 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.946 2.737 7.709 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.436 4.613 8.977 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.475 5.586 5.747 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.483 7.308 6.141 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.448 6.827 9.477 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.904 8.008 8.245 1.00 0.00 H new ATOM 466 N SER A 28 2.115 1.902 7.228 1.00 0.00 N ATOM 467 CA SER A 28 3.454 1.946 7.803 1.00 0.00 C ATOM 468 C SER A 28 4.504 1.559 6.766 1.00 0.00 C ATOM 469 O SER A 28 5.416 2.333 6.470 1.00 0.00 O ATOM 470 CB SER A 28 3.545 1.011 9.010 1.00 0.00 C ATOM 471 OG SER A 28 3.032 1.632 10.176 1.00 0.00 O ATOM 0 H SER A 28 1.435 1.382 7.783 1.00 0.00 H new ATOM 0 HA SER A 28 3.649 2.968 8.128 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.989 0.095 8.807 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.584 0.724 9.174 1.00 0.00 H new ATOM 0 HG SER A 28 3.100 1.013 10.933 1.00 0.00 H new ATOM 477 N TYR A 29 4.368 0.358 6.216 1.00 0.00 N ATOM 478 CA TYR A 29 5.306 -0.134 5.213 1.00 0.00 C ATOM 479 C TYR A 29 5.755 0.992 4.288 1.00 0.00 C ATOM 480 O TYR A 29 6.946 1.156 4.022 1.00 0.00 O ATOM 481 CB TYR A 29 4.667 -1.257 4.395 1.00 0.00 C ATOM 482 CG TYR A 29 5.592 -1.853 3.358 1.00 0.00 C ATOM 483 CD1 TYR A 29 6.675 -2.639 3.733 1.00 0.00 C ATOM 484 CD2 TYR A 29 5.383 -1.630 2.003 1.00 0.00 C ATOM 485 CE1 TYR A 29 7.523 -3.184 2.789 1.00 0.00 C ATOM 486 CE2 TYR A 29 6.225 -2.173 1.051 1.00 0.00 C ATOM 487 CZ TYR A 29 7.294 -2.949 1.450 1.00 0.00 C ATOM 488 OH TYR A 29 8.136 -3.491 0.506 1.00 0.00 O ATOM 0 H TYR A 29 3.618 -0.293 6.447 1.00 0.00 H new ATOM 0 HA TYR A 29 6.182 -0.524 5.732 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.337 -2.045 5.072 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.777 -0.871 3.897 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.857 -2.827 4.781 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.548 -1.022 1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.361 -3.791 3.098 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.047 -1.991 0.001 1.00 0.00 H new ATOM 0 HH TYR A 29 8.505 -4.334 0.842 1.00 0.00 H new ATOM 498 N PHE A 30 4.792 1.768 3.801 1.00 0.00 N ATOM 499 CA PHE A 30 5.086 2.880 2.904 1.00 0.00 C ATOM 500 C PHE A 30 5.403 4.146 3.695 1.00 0.00 C ATOM 501 O PHE A 30 6.049 5.063 3.187 1.00 0.00 O ATOM 502 CB PHE A 30 3.904 3.133 1.966 1.00 0.00 C ATOM 503 CG PHE A 30 3.926 2.279 0.731 1.00 0.00 C ATOM 504 CD1 PHE A 30 4.862 2.503 -0.266 1.00 0.00 C ATOM 505 CD2 PHE A 30 3.010 1.253 0.567 1.00 0.00 C ATOM 506 CE1 PHE A 30 4.884 1.719 -1.404 1.00 0.00 C ATOM 507 CE2 PHE A 30 3.028 0.465 -0.569 1.00 0.00 C ATOM 508 CZ PHE A 30 3.965 0.699 -1.556 1.00 0.00 C ATOM 0 H PHE A 30 3.801 1.647 4.012 1.00 0.00 H new ATOM 0 HA PHE A 30 5.961 2.615 2.310 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.975 2.951 2.507 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.902 4.183 1.672 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.583 3.299 -0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.274 1.067 1.335 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.619 1.904 -2.174 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.310 -0.333 -0.684 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.979 0.086 -2.445 1.00 0.00 H new ATOM 518 N SER A 31 4.943 4.190 4.941 1.00 0.00 N ATOM 519 CA SER A 31 5.173 5.345 5.801 1.00 0.00 C ATOM 520 C SER A 31 6.666 5.601 5.979 1.00 0.00 C ATOM 521 O SER A 31 7.123 6.741 5.908 1.00 0.00 O ATOM 522 CB SER A 31 4.514 5.130 7.165 1.00 0.00 C ATOM 523 OG SER A 31 4.399 6.352 7.874 1.00 0.00 O ATOM 0 H SER A 31 4.409 3.439 5.378 1.00 0.00 H new ATOM 0 HA SER A 31 4.727 6.218 5.323 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.526 4.690 7.030 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.101 4.421 7.749 1.00 0.00 H new ATOM 0 HG SER A 31 3.974 6.188 8.741 1.00 0.00 H new ATOM 529 N GLN A 32 7.420 4.531 6.211 1.00 0.00 N ATOM 530 CA GLN A 32 8.862 4.639 6.400 1.00 0.00 C ATOM 531 C GLN A 32 9.501 5.435 5.267 1.00 0.00 C ATOM 532 O GLN A 32 10.511 6.112 5.463 1.00 0.00 O ATOM 533 CB GLN A 32 9.493 3.248 6.481 1.00 0.00 C ATOM 534 CG GLN A 32 8.942 2.270 5.456 1.00 0.00 C ATOM 535 CD GLN A 32 9.961 1.227 5.039 1.00 0.00 C ATOM 536 OE1 GLN A 32 11.116 1.548 4.761 1.00 0.00 O ATOM 537 NE2 GLN A 32 9.536 -0.030 4.992 1.00 0.00 N ATOM 0 H GLN A 32 7.056 3.580 6.273 1.00 0.00 H new ATOM 0 HA GLN A 32 9.042 5.166 7.337 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.570 3.338 6.342 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.333 2.843 7.480 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.065 1.771 5.870 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.610 2.820 4.576 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.569 -0.251 5.231 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.176 -0.775 4.717 1.00 0.00 H new ATOM 546 N TYR A 33 8.907 5.349 4.082 1.00 0.00 N ATOM 547 CA TYR A 33 9.420 6.059 2.916 1.00 0.00 C ATOM 548 C TYR A 33 8.828 7.463 2.829 1.00 0.00 C ATOM 549 O TYR A 33 9.553 8.448 2.696 1.00 0.00 O ATOM 550 CB TYR A 33 9.105 5.280 1.638 1.00 0.00 C ATOM 551 CG TYR A 33 9.714 3.897 1.607 1.00 0.00 C ATOM 552 CD1 TYR A 33 9.047 2.810 2.158 1.00 0.00 C ATOM 553 CD2 TYR A 33 10.957 3.677 1.026 1.00 0.00 C ATOM 554 CE1 TYR A 33 9.600 1.544 2.132 1.00 0.00 C ATOM 555 CE2 TYR A 33 11.517 2.414 0.994 1.00 0.00 C ATOM 556 CZ TYR A 33 10.835 1.351 1.548 1.00 0.00 C ATOM 557 OH TYR A 33 11.390 0.093 1.520 1.00 0.00 O ATOM 0 H TYR A 33 8.070 4.795 3.903 1.00 0.00 H new ATOM 0 HA TYR A 33 10.501 6.146 3.022 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.024 5.194 1.532 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.466 5.846 0.779 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.079 2.957 2.615 1.00 0.00 H new ATOM 0 HD2 TYR A 33 11.495 4.507 0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 33 9.068 0.710 2.566 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.484 2.260 0.538 1.00 0.00 H new ATOM 0 HH TYR A 33 12.261 0.130 1.072 1.00 0.00 H new ATOM 567 N GLY A 34 7.504 7.545 2.906 1.00 0.00 N ATOM 568 CA GLY A 34 6.835 8.831 2.835 1.00 0.00 C ATOM 569 C GLY A 34 5.623 8.905 3.742 1.00 0.00 C ATOM 570 O GLY A 34 4.907 7.919 3.913 1.00 0.00 O ATOM 0 H GLY A 34 6.882 6.744 3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.538 9.618 3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.527 9.021 1.807 1.00 0.00 H new ATOM 574 N GLU A 35 5.393 10.077 4.326 1.00 0.00 N ATOM 575 CA GLU A 35 4.260 10.275 5.222 1.00 0.00 C ATOM 576 C GLU A 35 2.954 9.871 4.545 1.00 0.00 C ATOM 577 O GLU A 35 2.385 10.634 3.764 1.00 0.00 O ATOM 578 CB GLU A 35 4.185 11.735 5.671 1.00 0.00 C ATOM 579 CG GLU A 35 2.836 12.124 6.254 1.00 0.00 C ATOM 580 CD GLU A 35 2.943 13.237 7.279 1.00 0.00 C ATOM 581 OE1 GLU A 35 4.063 13.480 7.775 1.00 0.00 O ATOM 582 OE2 GLU A 35 1.907 13.863 7.585 1.00 0.00 O ATOM 0 H GLU A 35 5.976 10.903 4.195 1.00 0.00 H new ATOM 0 HA GLU A 35 4.406 9.641 6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.960 11.918 6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.403 12.380 4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.173 12.440 5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.379 11.250 6.718 1.00 0.00 H new ATOM 589 N VAL A 36 2.483 8.666 4.850 1.00 0.00 N ATOM 590 CA VAL A 36 1.244 8.160 4.273 1.00 0.00 C ATOM 591 C VAL A 36 0.058 9.036 4.661 1.00 0.00 C ATOM 592 O VAL A 36 -0.159 9.319 5.839 1.00 0.00 O ATOM 593 CB VAL A 36 0.966 6.712 4.719 1.00 0.00 C ATOM 594 CG1 VAL A 36 -0.385 6.243 4.202 1.00 0.00 C ATOM 595 CG2 VAL A 36 2.077 5.787 4.247 1.00 0.00 C ATOM 0 H VAL A 36 2.942 8.022 5.494 1.00 0.00 H new ATOM 0 HA VAL A 36 1.369 8.181 3.190 1.00 0.00 H new ATOM 0 HB VAL A 36 0.940 6.685 5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.563 5.218 4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.169 6.890 4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.392 6.284 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.864 4.768 4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.138 5.817 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.026 6.112 4.672 1.00 0.00 H new ATOM 605 N VAL A 37 -0.707 9.464 3.662 1.00 0.00 N ATOM 606 CA VAL A 37 -1.873 10.307 3.899 1.00 0.00 C ATOM 607 C VAL A 37 -3.164 9.505 3.782 1.00 0.00 C ATOM 608 O VAL A 37 -4.088 9.678 4.578 1.00 0.00 O ATOM 609 CB VAL A 37 -1.922 11.486 2.909 1.00 0.00 C ATOM 610 CG1 VAL A 37 -2.805 12.601 3.449 1.00 0.00 C ATOM 611 CG2 VAL A 37 -0.520 11.998 2.620 1.00 0.00 C ATOM 0 H VAL A 37 -0.540 9.241 2.681 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.782 10.696 4.913 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.355 11.133 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.827 13.425 2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.817 12.224 3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.405 12.954 4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.574 12.831 1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.057 12.334 3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.078 11.197 2.186 1.00 0.00 H new ATOM 621 N ASP A 38 -3.221 8.628 2.787 1.00 0.00 N ATOM 622 CA ASP A 38 -4.399 7.797 2.567 1.00 0.00 C ATOM 623 C ASP A 38 -4.018 6.478 1.901 1.00 0.00 C ATOM 624 O ASP A 38 -3.346 6.464 0.869 1.00 0.00 O ATOM 625 CB ASP A 38 -5.421 8.541 1.705 1.00 0.00 C ATOM 626 CG ASP A 38 -6.846 8.123 2.006 1.00 0.00 C ATOM 627 OD1 ASP A 38 -7.433 8.667 2.965 1.00 0.00 O ATOM 628 OD2 ASP A 38 -7.376 7.252 1.284 1.00 0.00 O ATOM 0 H ASP A 38 -2.465 8.474 2.119 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.844 7.578 3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.318 9.614 1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.206 8.357 0.652 1.00 0.00 H new ATOM 633 N CYS A 39 -4.449 5.373 2.499 1.00 0.00 N ATOM 634 CA CYS A 39 -4.151 4.049 1.965 1.00 0.00 C ATOM 635 C CYS A 39 -5.429 3.334 1.540 1.00 0.00 C ATOM 636 O CYS A 39 -6.471 3.468 2.182 1.00 0.00 O ATOM 637 CB CYS A 39 -3.406 3.212 3.007 1.00 0.00 C ATOM 638 SG CYS A 39 -4.483 2.410 4.217 1.00 0.00 S ATOM 0 H CYS A 39 -5.006 5.368 3.354 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.516 4.172 1.087 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.822 2.448 2.494 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.699 3.853 3.534 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.830 1.458 4.815 1.00 0.00 H new ATOM 644 N VAL A 40 -5.342 2.574 0.453 1.00 0.00 N ATOM 645 CA VAL A 40 -6.492 1.838 -0.059 1.00 0.00 C ATOM 646 C VAL A 40 -6.076 0.472 -0.592 1.00 0.00 C ATOM 647 O VAL A 40 -5.016 0.328 -1.203 1.00 0.00 O ATOM 648 CB VAL A 40 -7.205 2.619 -1.179 1.00 0.00 C ATOM 649 CG1 VAL A 40 -8.472 1.896 -1.610 1.00 0.00 C ATOM 650 CG2 VAL A 40 -7.518 4.036 -0.724 1.00 0.00 C ATOM 0 H VAL A 40 -4.487 2.452 -0.090 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.180 1.705 0.776 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.538 2.678 -2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.963 2.462 -2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.216 0.903 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.146 1.804 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.022 4.573 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.166 4.002 0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.591 4.550 -0.469 1.00 0.00 H new ATOM 660 N ILE A 41 -6.918 -0.530 -0.358 1.00 0.00 N ATOM 661 CA ILE A 41 -6.639 -1.885 -0.817 1.00 0.00 C ATOM 662 C ILE A 41 -7.871 -2.513 -1.458 1.00 0.00 C ATOM 663 O ILE A 41 -8.788 -2.953 -0.764 1.00 0.00 O ATOM 664 CB ILE A 41 -6.161 -2.783 0.340 1.00 0.00 C ATOM 665 CG1 ILE A 41 -4.794 -2.316 0.845 1.00 0.00 C ATOM 666 CG2 ILE A 41 -6.098 -4.235 -0.109 1.00 0.00 C ATOM 667 CD1 ILE A 41 -4.223 -3.193 1.938 1.00 0.00 C ATOM 0 H ILE A 41 -7.799 -0.428 0.147 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.845 -1.810 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.876 -2.707 1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.096 -2.291 0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.882 -1.296 1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.759 -4.857 0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.089 -4.561 -0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.401 -4.328 -0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.253 -2.803 2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.901 -3.199 2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.102 -4.209 1.563 1.00 0.00 H new ATOM 679 N MET A 42 -7.885 -2.554 -2.786 1.00 0.00 N ATOM 680 CA MET A 42 -9.005 -3.132 -3.521 1.00 0.00 C ATOM 681 C MET A 42 -9.291 -4.552 -3.045 1.00 0.00 C ATOM 682 O MET A 42 -8.372 -5.332 -2.795 1.00 0.00 O ATOM 683 CB MET A 42 -8.710 -3.133 -5.022 1.00 0.00 C ATOM 684 CG MET A 42 -8.304 -1.772 -5.563 1.00 0.00 C ATOM 685 SD MET A 42 -9.716 -0.792 -6.107 1.00 0.00 S ATOM 686 CE MET A 42 -9.981 0.246 -4.672 1.00 0.00 C ATOM 0 H MET A 42 -7.134 -2.194 -3.375 1.00 0.00 H new ATOM 0 HA MET A 42 -9.887 -2.520 -3.332 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.914 -3.848 -5.227 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.594 -3.479 -5.557 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.763 -1.225 -4.791 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.617 -1.908 -6.398 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.049 0.425 -4.545 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.588 -0.252 -3.785 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.467 1.197 -4.811 1.00 0.00 H new ATOM 696 N LYS A 43 -10.572 -4.883 -2.923 1.00 0.00 N ATOM 697 CA LYS A 43 -10.981 -6.210 -2.478 1.00 0.00 C ATOM 698 C LYS A 43 -12.011 -6.810 -3.430 1.00 0.00 C ATOM 699 O LYS A 43 -12.655 -6.092 -4.195 1.00 0.00 O ATOM 700 CB LYS A 43 -11.559 -6.141 -1.063 1.00 0.00 C ATOM 701 CG LYS A 43 -10.519 -6.321 0.029 1.00 0.00 C ATOM 702 CD LYS A 43 -10.899 -5.566 1.292 1.00 0.00 C ATOM 703 CE LYS A 43 -9.723 -5.454 2.250 1.00 0.00 C ATOM 704 NZ LYS A 43 -10.171 -5.268 3.658 1.00 0.00 N ATOM 0 H LYS A 43 -11.345 -4.250 -3.126 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.100 -6.851 -2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.052 -5.179 -0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.324 -6.910 -0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.410 -7.381 0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.551 -5.970 -0.328 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.251 -4.569 1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.726 -6.076 1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.110 -6.353 2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.093 -4.615 1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.341 -5.196 4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.735 -4.397 3.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.751 -6.081 3.948 1.00 0.00 H new ATOM 718 N ASP A 44 -12.161 -8.129 -3.378 1.00 0.00 N ATOM 719 CA ASP A 44 -13.114 -8.825 -4.235 1.00 0.00 C ATOM 720 C ASP A 44 -14.538 -8.351 -3.959 1.00 0.00 C ATOM 721 O ASP A 44 -14.780 -7.588 -3.024 1.00 0.00 O ATOM 722 CB ASP A 44 -13.015 -10.336 -4.021 1.00 0.00 C ATOM 723 CG ASP A 44 -13.835 -11.118 -5.029 1.00 0.00 C ATOM 724 OD1 ASP A 44 -13.311 -11.400 -6.127 1.00 0.00 O ATOM 725 OD2 ASP A 44 -14.999 -11.446 -4.721 1.00 0.00 O ATOM 0 H ASP A 44 -11.635 -8.738 -2.751 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.869 -8.596 -5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.971 -10.642 -4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.353 -10.580 -3.014 1.00 0.00 H new ATOM 730 N LYS A 45 -15.477 -8.809 -4.780 1.00 0.00 N ATOM 731 CA LYS A 45 -16.878 -8.433 -4.626 1.00 0.00 C ATOM 732 C LYS A 45 -17.499 -9.133 -3.421 1.00 0.00 C ATOM 733 O LYS A 45 -17.985 -8.483 -2.495 1.00 0.00 O ATOM 734 CB LYS A 45 -17.663 -8.782 -5.893 1.00 0.00 C ATOM 735 CG LYS A 45 -19.127 -8.383 -5.830 1.00 0.00 C ATOM 736 CD LYS A 45 -19.946 -9.100 -6.889 1.00 0.00 C ATOM 737 CE LYS A 45 -21.220 -8.338 -7.220 1.00 0.00 C ATOM 738 NZ LYS A 45 -20.937 -7.080 -7.966 1.00 0.00 N ATOM 0 H LYS A 45 -15.293 -9.441 -5.559 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.924 -7.356 -4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.197 -8.289 -6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.595 -9.856 -6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.526 -8.614 -4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.218 -7.305 -5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -19.348 -9.221 -7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -20.200 -10.100 -6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.878 -8.972 -7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.752 -8.102 -6.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -21.802 -6.759 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -20.618 -6.346 -7.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -20.193 -7.255 -8.672 1.00 0.00 H new ATOM 752 N THR A 46 -17.480 -10.462 -3.439 1.00 0.00 N ATOM 753 CA THR A 46 -18.041 -11.250 -2.349 1.00 0.00 C ATOM 754 C THR A 46 -16.971 -11.612 -1.325 1.00 0.00 C ATOM 755 O THR A 46 -17.106 -11.316 -0.138 1.00 0.00 O ATOM 756 CB THR A 46 -18.697 -12.543 -2.869 1.00 0.00 C ATOM 757 OG1 THR A 46 -19.725 -12.225 -3.814 1.00 0.00 O ATOM 758 CG2 THR A 46 -19.287 -13.350 -1.722 1.00 0.00 C ATOM 0 H THR A 46 -17.082 -11.016 -4.197 1.00 0.00 H new ATOM 0 HA THR A 46 -18.802 -10.632 -1.872 1.00 0.00 H new ATOM 0 HB THR A 46 -17.929 -13.143 -3.357 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.136 -13.052 -4.141 1.00 0.00 H new ATOM 0 HG21 THR A 46 -19.745 -14.258 -2.114 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.497 -13.616 -1.020 1.00 0.00 H new ATOM 0 HG23 THR A 46 -20.043 -12.755 -1.210 1.00 0.00 H new ATOM 766 N THR A 47 -15.905 -12.255 -1.793 1.00 0.00 N ATOM 767 CA THR A 47 -14.812 -12.659 -0.918 1.00 0.00 C ATOM 768 C THR A 47 -14.272 -11.471 -0.129 1.00 0.00 C ATOM 769 O THR A 47 -13.554 -11.643 0.856 1.00 0.00 O ATOM 770 CB THR A 47 -13.659 -13.297 -1.716 1.00 0.00 C ATOM 771 OG1 THR A 47 -13.655 -12.793 -3.057 1.00 0.00 O ATOM 772 CG2 THR A 47 -13.790 -14.812 -1.739 1.00 0.00 C ATOM 0 H THR A 47 -15.776 -12.507 -2.773 1.00 0.00 H new ATOM 0 HA THR A 47 -15.217 -13.398 -0.227 1.00 0.00 H new ATOM 0 HB THR A 47 -12.720 -13.037 -1.227 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.919 -13.202 -3.558 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.965 -15.240 -2.308 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.764 -15.195 -0.719 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.735 -15.088 -2.207 1.00 0.00 H new ATOM 780 N ASN A 48 -14.622 -10.267 -0.568 1.00 0.00 N ATOM 781 CA ASN A 48 -14.172 -9.050 0.098 1.00 0.00 C ATOM 782 C ASN A 48 -12.727 -9.189 0.568 1.00 0.00 C ATOM 783 O ASN A 48 -12.309 -8.533 1.521 1.00 0.00 O ATOM 784 CB ASN A 48 -15.078 -8.730 1.289 1.00 0.00 C ATOM 785 CG ASN A 48 -14.762 -9.583 2.502 1.00 0.00 C ATOM 786 OD1 ASN A 48 -15.120 -10.760 2.558 1.00 0.00 O ATOM 787 ND2 ASN A 48 -14.088 -8.992 3.481 1.00 0.00 N ATOM 0 H ASN A 48 -15.216 -10.108 -1.382 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.225 -8.232 -0.621 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.971 -7.677 1.551 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.118 -8.883 1.002 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.847 -9.516 4.322 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.811 -8.014 3.392 1.00 0.00 H new ATOM 794 N GLN A 49 -11.971 -10.048 -0.108 1.00 0.00 N ATOM 795 CA GLN A 49 -10.573 -10.273 0.240 1.00 0.00 C ATOM 796 C GLN A 49 -9.646 -9.582 -0.754 1.00 0.00 C ATOM 797 O GLN A 49 -9.826 -9.694 -1.967 1.00 0.00 O ATOM 798 CB GLN A 49 -10.271 -11.772 0.281 1.00 0.00 C ATOM 799 CG GLN A 49 -10.500 -12.402 1.645 1.00 0.00 C ATOM 800 CD GLN A 49 -9.317 -12.224 2.576 1.00 0.00 C ATOM 801 OE1 GLN A 49 -8.439 -13.084 2.655 1.00 0.00 O ATOM 802 NE2 GLN A 49 -9.287 -11.103 3.287 1.00 0.00 N ATOM 0 H GLN A 49 -12.303 -10.599 -0.899 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.398 -9.847 1.228 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.895 -12.280 -0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.234 -11.933 -0.015 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.386 -11.960 2.101 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.703 -13.466 1.520 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.036 -10.417 3.190 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.515 -10.927 3.930 1.00 0.00 H new ATOM 811 N SER A 50 -8.654 -8.867 -0.233 1.00 0.00 N ATOM 812 CA SER A 50 -7.701 -8.154 -1.075 1.00 0.00 C ATOM 813 C SER A 50 -7.433 -8.925 -2.364 1.00 0.00 C ATOM 814 O SER A 50 -7.033 -10.089 -2.333 1.00 0.00 O ATOM 815 CB SER A 50 -6.390 -7.929 -0.320 1.00 0.00 C ATOM 816 OG SER A 50 -6.593 -7.115 0.822 1.00 0.00 O ATOM 0 H SER A 50 -8.489 -8.766 0.769 1.00 0.00 H new ATOM 0 HA SER A 50 -8.134 -7.187 -1.333 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.972 -8.889 -0.017 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.662 -7.459 -0.981 1.00 0.00 H new ATOM 0 HG SER A 50 -5.824 -7.198 1.423 1.00 0.00 H new ATOM 822 N ARG A 51 -7.655 -8.267 -3.497 1.00 0.00 N ATOM 823 CA ARG A 51 -7.438 -8.889 -4.798 1.00 0.00 C ATOM 824 C ARG A 51 -5.948 -9.042 -5.086 1.00 0.00 C ATOM 825 O ARG A 51 -5.495 -10.098 -5.525 1.00 0.00 O ATOM 826 CB ARG A 51 -8.100 -8.060 -5.900 1.00 0.00 C ATOM 827 CG ARG A 51 -9.586 -7.829 -5.680 1.00 0.00 C ATOM 828 CD ARG A 51 -10.268 -7.342 -6.949 1.00 0.00 C ATOM 829 NE ARG A 51 -10.263 -5.885 -7.048 1.00 0.00 N ATOM 830 CZ ARG A 51 -11.115 -5.197 -7.800 1.00 0.00 C ATOM 831 NH1 ARG A 51 -12.035 -5.830 -8.513 1.00 0.00 N ATOM 832 NH2 ARG A 51 -11.047 -3.872 -7.838 1.00 0.00 N ATOM 0 H ARG A 51 -7.985 -7.303 -3.541 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.890 -9.881 -4.778 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.597 -7.095 -5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.957 -8.563 -6.857 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.054 -8.755 -5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.728 -7.096 -4.885 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.764 -7.766 -7.817 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.296 -7.703 -6.970 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.568 -5.367 -6.511 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.090 -6.848 -8.485 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.688 -5.299 -9.089 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.340 -3.382 -7.290 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.701 -3.344 -8.416 1.00 0.00 H new ATOM 846 N GLY A 52 -5.190 -7.978 -4.836 1.00 0.00 N ATOM 847 CA GLY A 52 -3.759 -8.014 -5.076 1.00 0.00 C ATOM 848 C GLY A 52 -3.219 -6.685 -5.565 1.00 0.00 C ATOM 849 O GLY A 52 -2.275 -6.642 -6.354 1.00 0.00 O ATOM 0 H GLY A 52 -5.541 -7.092 -4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.246 -8.294 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.537 -8.786 -5.813 1.00 0.00 H new ATOM 853 N PHE A 53 -3.820 -5.596 -5.096 1.00 0.00 N ATOM 854 CA PHE A 53 -3.395 -4.258 -5.493 1.00 0.00 C ATOM 855 C PHE A 53 -4.132 -3.193 -4.687 1.00 0.00 C ATOM 856 O PHE A 53 -5.187 -3.454 -4.110 1.00 0.00 O ATOM 857 CB PHE A 53 -3.642 -4.044 -6.988 1.00 0.00 C ATOM 858 CG PHE A 53 -5.047 -4.358 -7.415 1.00 0.00 C ATOM 859 CD1 PHE A 53 -5.464 -5.672 -7.561 1.00 0.00 C ATOM 860 CD2 PHE A 53 -5.951 -3.340 -7.670 1.00 0.00 C ATOM 861 CE1 PHE A 53 -6.756 -5.963 -7.954 1.00 0.00 C ATOM 862 CE2 PHE A 53 -7.245 -3.625 -8.064 1.00 0.00 C ATOM 863 CZ PHE A 53 -7.649 -4.939 -8.205 1.00 0.00 C ATOM 0 H PHE A 53 -4.602 -5.614 -4.441 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.328 -4.168 -5.292 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.417 -3.008 -7.240 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.951 -4.667 -7.555 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.771 -6.477 -7.365 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.641 -2.311 -7.560 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.068 -6.991 -8.065 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.939 -2.822 -8.261 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.660 -5.165 -8.511 1.00 0.00 H new ATOM 873 N GLY A 54 -3.568 -1.989 -4.652 1.00 0.00 N ATOM 874 CA GLY A 54 -4.183 -0.902 -3.914 1.00 0.00 C ATOM 875 C GLY A 54 -3.601 0.449 -4.279 1.00 0.00 C ATOM 876 O GLY A 54 -3.127 0.647 -5.398 1.00 0.00 O ATOM 0 H GLY A 54 -2.696 -1.748 -5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.256 -0.896 -4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.053 -1.073 -2.845 1.00 0.00 H new ATOM 880 N PHE A 55 -3.639 1.383 -3.334 1.00 0.00 N ATOM 881 CA PHE A 55 -3.113 2.724 -3.563 1.00 0.00 C ATOM 882 C PHE A 55 -2.525 3.303 -2.280 1.00 0.00 C ATOM 883 O PHE A 55 -2.853 2.862 -1.178 1.00 0.00 O ATOM 884 CB PHE A 55 -4.216 3.643 -4.093 1.00 0.00 C ATOM 885 CG PHE A 55 -4.716 3.255 -5.455 1.00 0.00 C ATOM 886 CD1 PHE A 55 -5.661 2.251 -5.600 1.00 0.00 C ATOM 887 CD2 PHE A 55 -4.244 3.894 -6.590 1.00 0.00 C ATOM 888 CE1 PHE A 55 -6.123 1.892 -6.852 1.00 0.00 C ATOM 889 CE2 PHE A 55 -4.702 3.539 -7.844 1.00 0.00 C ATOM 890 CZ PHE A 55 -5.644 2.537 -7.975 1.00 0.00 C ATOM 0 H PHE A 55 -4.028 1.236 -2.403 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.319 2.655 -4.307 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.051 3.636 -3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.839 4.665 -4.130 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.040 1.744 -4.725 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.509 4.679 -6.493 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.858 1.107 -6.952 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.324 4.044 -8.721 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.005 2.259 -8.954 1.00 0.00 H new ATOM 900 N VAL A 56 -1.654 4.296 -2.431 1.00 0.00 N ATOM 901 CA VAL A 56 -1.019 4.937 -1.286 1.00 0.00 C ATOM 902 C VAL A 56 -0.741 6.410 -1.566 1.00 0.00 C ATOM 903 O VAL A 56 -0.040 6.751 -2.519 1.00 0.00 O ATOM 904 CB VAL A 56 0.301 4.238 -0.911 1.00 0.00 C ATOM 905 CG1 VAL A 56 0.949 4.925 0.282 1.00 0.00 C ATOM 906 CG2 VAL A 56 0.059 2.765 -0.621 1.00 0.00 C ATOM 0 H VAL A 56 -1.372 4.674 -3.336 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.714 4.854 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 56 0.984 4.311 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.880 4.417 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.158 5.965 0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.273 4.885 1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.002 2.286 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.641 2.668 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.358 2.284 -1.506 1.00 0.00 H new ATOM 916 N LYS A 57 -1.293 7.281 -0.728 1.00 0.00 N ATOM 917 CA LYS A 57 -1.103 8.718 -0.882 1.00 0.00 C ATOM 918 C LYS A 57 0.069 9.206 -0.036 1.00 0.00 C ATOM 919 O LYS A 57 0.317 8.692 1.054 1.00 0.00 O ATOM 920 CB LYS A 57 -2.378 9.467 -0.487 1.00 0.00 C ATOM 921 CG LYS A 57 -2.576 10.770 -1.241 1.00 0.00 C ATOM 922 CD LYS A 57 -3.634 11.640 -0.583 1.00 0.00 C ATOM 923 CE LYS A 57 -3.369 13.118 -0.822 1.00 0.00 C ATOM 924 NZ LYS A 57 -4.331 13.981 -0.083 1.00 0.00 N ATOM 0 H LYS A 57 -1.876 7.016 0.066 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.880 8.920 -1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.238 8.821 -0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.350 9.676 0.582 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.632 11.313 -1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.868 10.556 -2.269 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.617 11.378 -0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.654 11.442 0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.352 13.359 -0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.436 13.331 -1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.117 14.981 -0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.300 13.769 -0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.250 13.797 0.937 1.00 0.00 H new ATOM 938 N PHE A 58 0.786 10.202 -0.545 1.00 0.00 N ATOM 939 CA PHE A 58 1.931 10.760 0.164 1.00 0.00 C ATOM 940 C PHE A 58 1.792 12.272 0.317 1.00 0.00 C ATOM 941 O PHE A 58 1.578 12.990 -0.660 1.00 0.00 O ATOM 942 CB PHE A 58 3.228 10.429 -0.578 1.00 0.00 C ATOM 943 CG PHE A 58 3.682 9.009 -0.387 1.00 0.00 C ATOM 944 CD1 PHE A 58 4.358 8.633 0.762 1.00 0.00 C ATOM 945 CD2 PHE A 58 3.431 8.052 -1.357 1.00 0.00 C ATOM 946 CE1 PHE A 58 4.778 7.328 0.939 1.00 0.00 C ATOM 947 CE2 PHE A 58 3.847 6.745 -1.184 1.00 0.00 C ATOM 948 CZ PHE A 58 4.521 6.383 -0.034 1.00 0.00 C ATOM 0 H PHE A 58 0.594 10.639 -1.446 1.00 0.00 H new ATOM 0 HA PHE A 58 1.964 10.313 1.158 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.087 10.617 -1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.014 11.103 -0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.559 9.367 1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.905 8.330 -2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.307 7.048 1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.645 6.008 -1.947 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.846 5.362 0.104 1.00 0.00 H new ATOM 958 N LYS A 59 1.916 12.749 1.551 1.00 0.00 N ATOM 959 CA LYS A 59 1.805 14.175 1.835 1.00 0.00 C ATOM 960 C LYS A 59 2.519 14.999 0.769 1.00 0.00 C ATOM 961 O LYS A 59 2.051 16.070 0.383 1.00 0.00 O ATOM 962 CB LYS A 59 2.390 14.488 3.214 1.00 0.00 C ATOM 963 CG LYS A 59 1.938 15.823 3.778 1.00 0.00 C ATOM 964 CD LYS A 59 1.985 15.832 5.297 1.00 0.00 C ATOM 965 CE LYS A 59 1.551 17.177 5.860 1.00 0.00 C ATOM 966 NZ LYS A 59 2.573 18.234 5.622 1.00 0.00 N ATOM 0 H LYS A 59 2.094 12.169 2.371 1.00 0.00 H new ATOM 0 HA LYS A 59 0.748 14.441 1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.107 13.696 3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.478 14.481 3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.575 16.618 3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.923 16.035 3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.337 15.047 5.687 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.997 15.606 5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.607 17.475 5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.370 17.081 6.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.279 19.113 6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.489 17.924 6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.666 18.403 4.600 1.00 0.00 H new ATOM 980 N ASP A 60 3.653 14.493 0.297 1.00 0.00 N ATOM 981 CA ASP A 60 4.430 15.181 -0.727 1.00 0.00 C ATOM 982 C ASP A 60 4.566 14.319 -1.978 1.00 0.00 C ATOM 983 O ASP A 60 4.751 13.104 -1.907 1.00 0.00 O ATOM 984 CB ASP A 60 5.816 15.542 -0.188 1.00 0.00 C ATOM 985 CG ASP A 60 6.376 16.798 -0.828 1.00 0.00 C ATOM 986 OD1 ASP A 60 6.106 17.900 -0.306 1.00 0.00 O ATOM 987 OD2 ASP A 60 7.084 16.678 -1.849 1.00 0.00 O ATOM 0 H ASP A 60 4.055 13.608 0.607 1.00 0.00 H new ATOM 0 HA ASP A 60 3.902 16.096 -0.995 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.758 15.682 0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.499 14.712 -0.365 1.00 0.00 H new ATOM 992 N PRO A 61 4.470 14.960 -3.152 1.00 0.00 N ATOM 993 CA PRO A 61 4.579 14.271 -4.441 1.00 0.00 C ATOM 994 C PRO A 61 5.994 13.774 -4.716 1.00 0.00 C ATOM 995 O PRO A 61 6.273 13.223 -5.780 1.00 0.00 O ATOM 996 CB PRO A 61 4.184 15.349 -5.454 1.00 0.00 C ATOM 997 CG PRO A 61 4.498 16.638 -4.776 1.00 0.00 C ATOM 998 CD PRO A 61 4.250 16.407 -3.311 1.00 0.00 C ATOM 0 HA PRO A 61 3.953 13.380 -4.480 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.744 15.244 -6.383 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.127 15.283 -5.710 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.532 16.931 -4.955 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.868 17.442 -5.156 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.933 16.988 -2.691 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.238 16.694 -3.025 1.00 0.00 H new ATOM 1006 N ASN A 62 6.884 13.973 -3.749 1.00 0.00 N ATOM 1007 CA ASN A 62 8.271 13.546 -3.887 1.00 0.00 C ATOM 1008 C ASN A 62 8.464 12.137 -3.333 1.00 0.00 C ATOM 1009 O ASN A 62 9.323 11.388 -3.800 1.00 0.00 O ATOM 1010 CB ASN A 62 9.202 14.522 -3.165 1.00 0.00 C ATOM 1011 CG ASN A 62 10.658 14.316 -3.539 1.00 0.00 C ATOM 1012 OD1 ASN A 62 11.473 13.917 -2.707 1.00 0.00 O ATOM 1013 ND2 ASN A 62 10.990 14.588 -4.795 1.00 0.00 N ATOM 0 H ASN A 62 6.669 14.427 -2.861 1.00 0.00 H new ATOM 0 HA ASN A 62 8.518 13.537 -4.949 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.909 15.544 -3.405 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.086 14.402 -2.088 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.954 14.468 -5.105 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.281 14.916 -5.450 1.00 0.00 H new ATOM 1020 N CYS A 63 7.660 11.784 -2.337 1.00 0.00 N ATOM 1021 CA CYS A 63 7.742 10.466 -1.719 1.00 0.00 C ATOM 1022 C CYS A 63 7.583 9.365 -2.762 1.00 0.00 C ATOM 1023 O CYS A 63 8.262 8.340 -2.707 1.00 0.00 O ATOM 1024 CB CYS A 63 6.670 10.319 -0.638 1.00 0.00 C ATOM 1025 SG CYS A 63 6.800 11.529 0.700 1.00 0.00 S ATOM 0 H CYS A 63 6.944 12.392 -1.940 1.00 0.00 H new ATOM 0 HA CYS A 63 8.726 10.368 -1.261 1.00 0.00 H new ATOM 0 HB2 CYS A 63 5.687 10.410 -1.101 1.00 0.00 H new ATOM 0 HB3 CYS A 63 6.732 9.317 -0.214 1.00 0.00 H new ATOM 0 HG CYS A 63 5.738 11.465 1.447 1.00 0.00 H new ATOM 1031 N VAL A 64 6.679 9.584 -3.713 1.00 0.00 N ATOM 1032 CA VAL A 64 6.430 8.610 -4.769 1.00 0.00 C ATOM 1033 C VAL A 64 7.732 8.171 -5.430 1.00 0.00 C ATOM 1034 O VAL A 64 8.044 6.982 -5.481 1.00 0.00 O ATOM 1035 CB VAL A 64 5.488 9.180 -5.846 1.00 0.00 C ATOM 1036 CG1 VAL A 64 5.250 8.154 -6.944 1.00 0.00 C ATOM 1037 CG2 VAL A 64 4.172 9.621 -5.223 1.00 0.00 C ATOM 0 H VAL A 64 6.108 10.427 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 64 5.955 7.748 -4.300 1.00 0.00 H new ATOM 0 HB VAL A 64 5.962 10.053 -6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.582 8.574 -7.696 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.200 7.891 -7.409 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.797 7.260 -6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.518 10.021 -5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.690 8.767 -4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.363 10.392 -4.476 1.00 0.00 H new ATOM 1047 N GLY A 65 8.490 9.140 -5.935 1.00 0.00 N ATOM 1048 CA GLY A 65 9.750 8.833 -6.586 1.00 0.00 C ATOM 1049 C GLY A 65 10.658 7.982 -5.720 1.00 0.00 C ATOM 1050 O GLY A 65 11.080 6.899 -6.126 1.00 0.00 O ATOM 0 H GLY A 65 8.254 10.132 -5.905 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.554 8.312 -7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.261 9.762 -6.839 1.00 0.00 H new ATOM 1054 N THR A 66 10.962 8.473 -4.522 1.00 0.00 N ATOM 1055 CA THR A 66 11.827 7.752 -3.598 1.00 0.00 C ATOM 1056 C THR A 66 11.542 6.255 -3.631 1.00 0.00 C ATOM 1057 O THR A 66 12.459 5.440 -3.727 1.00 0.00 O ATOM 1058 CB THR A 66 11.658 8.264 -2.155 1.00 0.00 C ATOM 1059 OG1 THR A 66 12.040 9.641 -2.075 1.00 0.00 O ATOM 1060 CG2 THR A 66 12.498 7.442 -1.188 1.00 0.00 C ATOM 0 H THR A 66 10.621 9.368 -4.170 1.00 0.00 H new ATOM 0 HA THR A 66 12.853 7.930 -3.921 1.00 0.00 H new ATOM 0 HB THR A 66 10.609 8.163 -1.878 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.928 9.959 -1.155 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.363 7.822 -0.175 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.184 6.399 -1.229 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.549 7.516 -1.466 1.00 0.00 H new ATOM 1068 N VAL A 67 10.263 5.899 -3.552 1.00 0.00 N ATOM 1069 CA VAL A 67 9.857 4.500 -3.575 1.00 0.00 C ATOM 1070 C VAL A 67 10.048 3.894 -4.961 1.00 0.00 C ATOM 1071 O VAL A 67 10.562 2.784 -5.100 1.00 0.00 O ATOM 1072 CB VAL A 67 8.384 4.336 -3.155 1.00 0.00 C ATOM 1073 CG1 VAL A 67 7.971 2.873 -3.213 1.00 0.00 C ATOM 1074 CG2 VAL A 67 8.161 4.907 -1.763 1.00 0.00 C ATOM 0 H VAL A 67 9.491 6.561 -3.472 1.00 0.00 H new ATOM 0 HA VAL A 67 10.492 3.975 -2.861 1.00 0.00 H new ATOM 0 HB VAL A 67 7.761 4.892 -3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.928 2.777 -2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.092 2.501 -4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.598 2.291 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.115 4.783 -1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.794 4.381 -1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.414 5.967 -1.760 1.00 0.00 H new ATOM 1084 N LEU A 68 9.633 4.631 -5.985 1.00 0.00 N ATOM 1085 CA LEU A 68 9.759 4.168 -7.363 1.00 0.00 C ATOM 1086 C LEU A 68 11.195 3.754 -7.668 1.00 0.00 C ATOM 1087 O LEU A 68 11.432 2.806 -8.417 1.00 0.00 O ATOM 1088 CB LEU A 68 9.315 5.264 -8.333 1.00 0.00 C ATOM 1089 CG LEU A 68 7.809 5.513 -8.421 1.00 0.00 C ATOM 1090 CD1 LEU A 68 7.508 6.624 -9.415 1.00 0.00 C ATOM 1091 CD2 LEU A 68 7.079 4.235 -8.810 1.00 0.00 C ATOM 0 H LEU A 68 9.206 5.552 -5.887 1.00 0.00 H new ATOM 0 HA LEU A 68 9.115 3.298 -7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.801 6.196 -8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.680 5.010 -9.328 1.00 0.00 H new ATOM 0 HG LEU A 68 7.454 5.826 -7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.431 6.787 -9.464 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.000 7.542 -9.094 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.877 6.340 -10.401 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.008 4.431 -8.868 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.438 3.892 -9.780 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.267 3.466 -8.061 1.00 0.00 H new ATOM 1103 N ALA A 69 12.149 4.469 -7.082 1.00 0.00 N ATOM 1104 CA ALA A 69 13.562 4.173 -7.288 1.00 0.00 C ATOM 1105 C ALA A 69 14.009 3.002 -6.420 1.00 0.00 C ATOM 1106 O ALA A 69 14.895 2.237 -6.801 1.00 0.00 O ATOM 1107 CB ALA A 69 14.407 5.403 -6.995 1.00 0.00 C ATOM 0 H ALA A 69 11.970 5.258 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 69 13.701 3.891 -8.332 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.459 5.167 -7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.113 6.214 -7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.255 5.711 -5.960 1.00 0.00 H new ATOM 1113 N SER A 70 13.392 2.868 -5.250 1.00 0.00 N ATOM 1114 CA SER A 70 13.731 1.793 -4.326 1.00 0.00 C ATOM 1115 C SER A 70 13.292 0.441 -4.881 1.00 0.00 C ATOM 1116 O SER A 70 13.850 -0.598 -4.528 1.00 0.00 O ATOM 1117 CB SER A 70 13.074 2.035 -2.965 1.00 0.00 C ATOM 1118 OG SER A 70 13.922 2.791 -2.118 1.00 0.00 O ATOM 0 H SER A 70 12.655 3.491 -4.920 1.00 0.00 H new ATOM 0 HA SER A 70 14.814 1.782 -4.202 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.129 2.561 -3.102 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.842 1.080 -2.494 1.00 0.00 H new ATOM 0 HG SER A 70 13.480 2.934 -1.255 1.00 0.00 H new ATOM 1124 N ARG A 71 12.288 0.463 -5.752 1.00 0.00 N ATOM 1125 CA ARG A 71 11.773 -0.759 -6.355 1.00 0.00 C ATOM 1126 C ARG A 71 12.914 -1.687 -6.763 1.00 0.00 C ATOM 1127 O ARG A 71 14.043 -1.257 -6.997 1.00 0.00 O ATOM 1128 CB ARG A 71 10.911 -0.428 -7.575 1.00 0.00 C ATOM 1129 CG ARG A 71 9.483 -0.043 -7.225 1.00 0.00 C ATOM 1130 CD ARG A 71 8.724 0.451 -8.446 1.00 0.00 C ATOM 1131 NE ARG A 71 8.701 -0.542 -9.516 1.00 0.00 N ATOM 1132 CZ ARG A 71 8.505 -0.241 -10.795 1.00 0.00 C ATOM 1133 NH1 ARG A 71 8.318 1.019 -11.162 1.00 0.00 N ATOM 1134 NH2 ARG A 71 8.498 -1.202 -11.711 1.00 0.00 N ATOM 0 H ARG A 71 11.815 1.315 -6.055 1.00 0.00 H new ATOM 0 HA ARG A 71 11.159 -1.269 -5.612 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.375 0.391 -8.126 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.893 -1.290 -8.241 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.967 -0.903 -6.798 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.491 0.735 -6.461 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.702 0.700 -8.161 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.185 1.368 -8.813 1.00 0.00 H new ATOM 0 HE ARG A 71 8.843 -1.521 -9.268 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.324 1.760 -10.462 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.168 1.247 -12.145 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.643 -2.173 -11.433 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.347 -0.970 -12.693 1.00 0.00 H new ATOM 1148 N PRO A 72 12.614 -2.992 -6.848 1.00 0.00 N ATOM 1149 CA PRO A 72 11.273 -3.516 -6.571 1.00 0.00 C ATOM 1150 C PRO A 72 10.911 -3.430 -5.092 1.00 0.00 C ATOM 1151 O PRO A 72 11.684 -2.915 -4.283 1.00 0.00 O ATOM 1152 CB PRO A 72 11.365 -4.978 -7.015 1.00 0.00 C ATOM 1153 CG PRO A 72 12.810 -5.319 -6.900 1.00 0.00 C ATOM 1154 CD PRO A 72 13.560 -4.056 -7.222 1.00 0.00 C ATOM 0 HA PRO A 72 10.499 -2.948 -7.086 1.00 0.00 H new ATOM 0 HB2 PRO A 72 10.755 -5.623 -6.383 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.009 -5.104 -8.037 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.050 -5.670 -5.896 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.078 -6.119 -7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.489 -3.985 -6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.826 -4.005 -8.278 1.00 0.00 H new ATOM 1162 N HIS A 73 9.733 -3.937 -4.745 1.00 0.00 N ATOM 1163 CA HIS A 73 9.270 -3.918 -3.362 1.00 0.00 C ATOM 1164 C HIS A 73 8.686 -5.272 -2.966 1.00 0.00 C ATOM 1165 O HIS A 73 8.466 -6.137 -3.814 1.00 0.00 O ATOM 1166 CB HIS A 73 8.222 -2.822 -3.168 1.00 0.00 C ATOM 1167 CG HIS A 73 8.810 -1.478 -2.865 1.00 0.00 C ATOM 1168 ND1 HIS A 73 8.943 -0.987 -1.584 1.00 0.00 N ATOM 1169 CD2 HIS A 73 9.304 -0.522 -3.686 1.00 0.00 C ATOM 1170 CE1 HIS A 73 9.491 0.214 -1.630 1.00 0.00 C ATOM 1171 NE2 HIS A 73 9.721 0.519 -2.895 1.00 0.00 N ATOM 0 H HIS A 73 9.081 -4.366 -5.402 1.00 0.00 H new ATOM 0 HA HIS A 73 10.126 -3.709 -2.721 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.614 -2.749 -4.070 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.554 -3.109 -2.356 1.00 0.00 H new ATOM 0 HD1 HIS A 73 8.662 -1.475 -0.733 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.360 -0.570 -4.764 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.713 0.840 -0.779 1.00 0.00 H new ATOM 1180 N THR A 74 8.439 -5.448 -1.672 1.00 0.00 N ATOM 1181 CA THR A 74 7.884 -6.696 -1.163 1.00 0.00 C ATOM 1182 C THR A 74 7.346 -6.522 0.253 1.00 0.00 C ATOM 1183 O THR A 74 8.107 -6.288 1.193 1.00 0.00 O ATOM 1184 CB THR A 74 8.936 -7.821 -1.166 1.00 0.00 C ATOM 1185 OG1 THR A 74 9.604 -7.864 -2.431 1.00 0.00 O ATOM 1186 CG2 THR A 74 8.288 -9.168 -0.883 1.00 0.00 C ATOM 0 H THR A 74 8.615 -4.742 -0.957 1.00 0.00 H new ATOM 0 HA THR A 74 7.066 -6.972 -1.828 1.00 0.00 H new ATOM 0 HB THR A 74 9.661 -7.612 -0.380 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.965 -7.658 -3.145 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.050 -9.947 -0.890 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.805 -9.141 0.094 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.543 -9.382 -1.650 1.00 0.00 H new ATOM 1194 N LEU A 75 6.031 -6.636 0.399 1.00 0.00 N ATOM 1195 CA LEU A 75 5.391 -6.492 1.702 1.00 0.00 C ATOM 1196 C LEU A 75 4.468 -7.673 1.989 1.00 0.00 C ATOM 1197 O LEU A 75 3.782 -8.169 1.095 1.00 0.00 O ATOM 1198 CB LEU A 75 4.598 -5.185 1.761 1.00 0.00 C ATOM 1199 CG LEU A 75 3.567 -5.075 2.885 1.00 0.00 C ATOM 1200 CD1 LEU A 75 4.258 -4.894 4.227 1.00 0.00 C ATOM 1201 CD2 LEU A 75 2.607 -3.925 2.617 1.00 0.00 C ATOM 0 H LEU A 75 5.387 -6.828 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 75 6.172 -6.471 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.303 -4.360 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.084 -5.052 0.809 1.00 0.00 H new ATOM 0 HG LEU A 75 2.993 -6.001 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.509 -4.818 5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.904 -5.750 4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.858 -3.984 4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.880 -3.861 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.166 -2.991 2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.086 -4.098 1.675 1.00 0.00 H new ATOM 1213 N ASP A 76 4.456 -8.116 3.241 1.00 0.00 N ATOM 1214 CA ASP A 76 3.615 -9.236 3.647 1.00 0.00 C ATOM 1215 C ASP A 76 4.018 -10.512 2.915 1.00 0.00 C ATOM 1216 O ASP A 76 3.174 -11.218 2.367 1.00 0.00 O ATOM 1217 CB ASP A 76 2.143 -8.921 3.377 1.00 0.00 C ATOM 1218 CG ASP A 76 1.500 -8.146 4.509 1.00 0.00 C ATOM 1219 OD1 ASP A 76 1.406 -8.695 5.627 1.00 0.00 O ATOM 1220 OD2 ASP A 76 1.090 -6.989 4.278 1.00 0.00 O ATOM 0 H ASP A 76 5.019 -7.717 3.992 1.00 0.00 H new ATOM 0 HA ASP A 76 3.754 -9.393 4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.061 -8.346 2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.598 -9.852 3.222 1.00 0.00 H new ATOM 1225 N GLY A 77 5.317 -10.800 2.908 1.00 0.00 N ATOM 1226 CA GLY A 77 5.809 -11.990 2.239 1.00 0.00 C ATOM 1227 C GLY A 77 5.285 -12.117 0.823 1.00 0.00 C ATOM 1228 O GLY A 77 5.159 -13.223 0.297 1.00 0.00 O ATOM 0 H GLY A 77 6.036 -10.230 3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.899 -11.968 2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.518 -12.871 2.811 1.00 0.00 H new ATOM 1232 N ARG A 78 4.976 -10.982 0.203 1.00 0.00 N ATOM 1233 CA ARG A 78 4.460 -10.972 -1.160 1.00 0.00 C ATOM 1234 C ARG A 78 5.138 -9.886 -1.990 1.00 0.00 C ATOM 1235 O ARG A 78 5.129 -8.712 -1.622 1.00 0.00 O ATOM 1236 CB ARG A 78 2.946 -10.752 -1.153 1.00 0.00 C ATOM 1237 CG ARG A 78 2.228 -11.415 -2.317 1.00 0.00 C ATOM 1238 CD ARG A 78 2.123 -10.480 -3.512 1.00 0.00 C ATOM 1239 NE ARG A 78 1.723 -11.185 -4.726 1.00 0.00 N ATOM 1240 CZ ARG A 78 2.507 -12.042 -5.371 1.00 0.00 C ATOM 1241 NH1 ARG A 78 3.727 -12.297 -4.920 1.00 0.00 N ATOM 1242 NH2 ARG A 78 2.071 -12.645 -6.469 1.00 0.00 N ATOM 0 H ARG A 78 5.074 -10.058 0.624 1.00 0.00 H new ATOM 0 HA ARG A 78 4.678 -11.940 -1.611 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.536 -11.135 -0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.743 -9.681 -1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.762 -12.320 -2.607 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.230 -11.720 -2.004 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.400 -9.694 -3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.084 -9.992 -3.676 1.00 0.00 H new ATOM 0 HE ARG A 78 0.790 -11.010 -5.100 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.066 -11.835 -4.076 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.327 -12.955 -5.417 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.133 -12.451 -6.819 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.674 -13.303 -6.963 1.00 0.00 H new ATOM 1256 N ASN A 79 5.726 -10.287 -3.113 1.00 0.00 N ATOM 1257 CA ASN A 79 6.410 -9.349 -3.995 1.00 0.00 C ATOM 1258 C ASN A 79 5.425 -8.349 -4.594 1.00 0.00 C ATOM 1259 O ASN A 79 4.512 -8.726 -5.330 1.00 0.00 O ATOM 1260 CB ASN A 79 7.132 -10.102 -5.114 1.00 0.00 C ATOM 1261 CG ASN A 79 7.995 -11.232 -4.586 1.00 0.00 C ATOM 1262 OD1 ASN A 79 7.533 -12.362 -4.433 1.00 0.00 O ATOM 1263 ND2 ASN A 79 9.258 -10.930 -4.304 1.00 0.00 N ATOM 0 H ASN A 79 5.742 -11.255 -3.433 1.00 0.00 H new ATOM 0 HA ASN A 79 7.143 -8.801 -3.403 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.397 -10.505 -5.811 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.754 -9.405 -5.675 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.886 -11.649 -3.945 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.599 -9.979 -4.446 1.00 0.00 H new ATOM 1270 N ILE A 80 5.618 -7.074 -4.274 1.00 0.00 N ATOM 1271 CA ILE A 80 4.748 -6.020 -4.781 1.00 0.00 C ATOM 1272 C ILE A 80 5.539 -4.995 -5.588 1.00 0.00 C ATOM 1273 O ILE A 80 6.770 -4.982 -5.557 1.00 0.00 O ATOM 1274 CB ILE A 80 4.011 -5.298 -3.637 1.00 0.00 C ATOM 1275 CG1 ILE A 80 4.986 -4.425 -2.845 1.00 0.00 C ATOM 1276 CG2 ILE A 80 3.333 -6.308 -2.724 1.00 0.00 C ATOM 1277 CD1 ILE A 80 4.303 -3.415 -1.950 1.00 0.00 C ATOM 0 H ILE A 80 6.369 -6.746 -3.666 1.00 0.00 H new ATOM 0 HA ILE A 80 4.014 -6.501 -5.428 1.00 0.00 H new ATOM 0 HB ILE A 80 3.244 -4.654 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.623 -5.066 -2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.638 -3.898 -3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.816 -5.783 -1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.613 -6.891 -3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.083 -6.975 -2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.055 -2.832 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.688 -2.749 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.673 -3.935 -1.229 1.00 0.00 H new ATOM 1289 N ASP A 81 4.824 -4.137 -6.308 1.00 0.00 N ATOM 1290 CA ASP A 81 5.459 -3.106 -7.120 1.00 0.00 C ATOM 1291 C ASP A 81 4.540 -1.900 -7.282 1.00 0.00 C ATOM 1292 O ASP A 81 3.500 -1.964 -7.938 1.00 0.00 O ATOM 1293 CB ASP A 81 5.831 -3.667 -8.494 1.00 0.00 C ATOM 1294 CG ASP A 81 7.039 -2.974 -9.094 1.00 0.00 C ATOM 1295 OD1 ASP A 81 8.088 -2.918 -8.418 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.935 -2.489 -10.240 1.00 0.00 O ATOM 0 H ASP A 81 3.805 -4.135 -6.346 1.00 0.00 H new ATOM 0 HA ASP A 81 6.366 -2.783 -6.610 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.035 -4.734 -8.405 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.982 -3.560 -9.169 1.00 0.00 H new ATOM 1301 N PRO A 82 4.930 -0.772 -6.670 1.00 0.00 N ATOM 1302 CA PRO A 82 4.155 0.471 -6.731 1.00 0.00 C ATOM 1303 C PRO A 82 4.178 1.101 -8.120 1.00 0.00 C ATOM 1304 O PRO A 82 5.035 0.782 -8.944 1.00 0.00 O ATOM 1305 CB PRO A 82 4.860 1.379 -5.720 1.00 0.00 C ATOM 1306 CG PRO A 82 6.256 0.862 -5.657 1.00 0.00 C ATOM 1307 CD PRO A 82 6.158 -0.623 -5.871 1.00 0.00 C ATOM 0 HA PRO A 82 3.100 0.305 -6.512 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.838 2.421 -6.040 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.377 1.335 -4.744 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.879 1.326 -6.422 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.713 1.088 -4.693 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.030 -1.012 -6.398 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.090 -1.162 -4.926 1.00 0.00 H new ATOM 1315 N LYS A 83 3.230 1.997 -8.373 1.00 0.00 N ATOM 1316 CA LYS A 83 3.142 2.674 -9.662 1.00 0.00 C ATOM 1317 C LYS A 83 2.960 4.177 -9.475 1.00 0.00 C ATOM 1318 O LYS A 83 2.293 4.636 -8.548 1.00 0.00 O ATOM 1319 CB LYS A 83 1.980 2.107 -10.481 1.00 0.00 C ATOM 1320 CG LYS A 83 2.159 0.647 -10.860 1.00 0.00 C ATOM 1321 CD LYS A 83 3.084 0.491 -12.055 1.00 0.00 C ATOM 1322 CE LYS A 83 4.522 0.248 -11.620 1.00 0.00 C ATOM 1323 NZ LYS A 83 5.318 -0.422 -12.684 1.00 0.00 N ATOM 0 H LYS A 83 2.512 2.271 -7.703 1.00 0.00 H new ATOM 0 HA LYS A 83 4.075 2.502 -10.199 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.057 2.215 -9.911 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.864 2.698 -11.389 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.564 0.097 -10.011 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.188 0.208 -11.090 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.744 -0.340 -12.673 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.036 1.388 -12.673 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.989 1.199 -11.362 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.530 -0.366 -10.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.326 -0.200 -12.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.179 -1.451 -12.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.006 -0.083 -13.616 1.00 0.00 H new ATOM 1337 N PRO A 84 3.565 4.963 -10.378 1.00 0.00 N ATOM 1338 CA PRO A 84 3.483 6.426 -10.335 1.00 0.00 C ATOM 1339 C PRO A 84 2.088 6.939 -10.679 1.00 0.00 C ATOM 1340 O PRO A 84 1.816 8.136 -10.586 1.00 0.00 O ATOM 1341 CB PRO A 84 4.492 6.870 -11.396 1.00 0.00 C ATOM 1342 CG PRO A 84 4.577 5.722 -12.341 1.00 0.00 C ATOM 1343 CD PRO A 84 4.377 4.485 -11.510 1.00 0.00 C ATOM 0 HA PRO A 84 3.692 6.816 -9.339 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.161 7.776 -11.903 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.463 7.090 -10.952 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.815 5.798 -13.117 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.544 5.702 -12.844 1.00 0.00 H new ATOM 0 HD2 PRO A 84 3.865 3.703 -12.070 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.327 4.068 -11.176 1.00 0.00 H new ATOM 1351 N CYS A 85 1.209 6.025 -11.075 1.00 0.00 N ATOM 1352 CA CYS A 85 -0.158 6.385 -11.433 1.00 0.00 C ATOM 1353 C CYS A 85 -0.176 7.340 -12.623 1.00 0.00 C ATOM 1354 O CYS A 85 -0.807 8.396 -12.577 1.00 0.00 O ATOM 1355 CB CYS A 85 -0.868 7.026 -10.240 1.00 0.00 C ATOM 1356 SG CYS A 85 -1.569 5.837 -9.071 1.00 0.00 S ATOM 0 H CYS A 85 1.418 5.030 -11.156 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.685 5.473 -11.714 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.161 7.666 -9.711 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.666 7.670 -10.609 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.618 6.354 -8.503 1.00 0.00 H new ATOM 1362 N THR A 86 0.524 6.961 -13.688 1.00 0.00 N ATOM 1363 CA THR A 86 0.592 7.784 -14.889 1.00 0.00 C ATOM 1364 C THR A 86 0.562 6.924 -16.147 1.00 0.00 C ATOM 1365 O THR A 86 0.985 5.768 -16.148 1.00 0.00 O ATOM 1366 CB THR A 86 1.865 8.652 -14.905 1.00 0.00 C ATOM 1367 OG1 THR A 86 3.023 7.825 -14.740 1.00 0.00 O ATOM 1368 CG2 THR A 86 1.821 9.697 -13.801 1.00 0.00 C ATOM 0 H THR A 86 1.052 6.090 -13.743 1.00 0.00 H new ATOM 0 HA THR A 86 -0.282 8.435 -14.875 1.00 0.00 H new ATOM 0 HB THR A 86 1.918 9.164 -15.866 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.828 8.383 -14.753 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.730 10.298 -13.832 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.955 10.342 -13.945 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.747 9.201 -12.833 1.00 0.00 H new