USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 594 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 16 SER OG : rot -120:sc= 0 USER MOD Set 1.2: A 55 THR OG1 : rot 83:sc= 0.537 USER MOD Single : A 10 SER OG : rot 28:sc= 0.0611 USER MOD Single : A 15 GLN : amide:sc=-0.00538 X(o=-0.0054,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 50:sc= -0.932 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 1.18 (180deg=0.721) USER MOD Single : A 40 MET CE :methyl 165:sc= -5.74! (180deg=-6.62!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.66 X(o=-1.7,f=-2!) USER MOD Single : A 50 TYR OH : rot 177:sc= 0.972 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 60 THR OG1 : rot 160:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0449 X(o=-0.045,f=-0.48) USER MOD Single : A 65 SER OG : rot -79:sc= 0.0974 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HE2:sc= -0.747 F(o=-2.3!,f=-0.71) USER MOD Single : A 69 GLN : amide:sc= -0.359 K(o=-0.36,f=-2.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N SER A 10 12.253 -1.006 11.652 1.00 0.00 N ATOM 131 CA SER A 10 11.861 -2.411 11.683 1.00 0.00 C ATOM 132 C SER A 10 11.461 -2.896 10.289 1.00 0.00 C ATOM 133 O SER A 10 10.416 -2.508 9.767 1.00 0.00 O ATOM 134 CB SER A 10 10.698 -2.614 12.656 1.00 0.00 C ATOM 135 OG SER A 10 11.054 -2.211 13.967 1.00 0.00 O ATOM 0 HA SER A 10 12.717 -2.995 12.021 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.833 -2.042 12.319 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.404 -3.663 12.662 1.00 0.00 H new ATOM 0 HG SER A 10 11.743 -1.516 13.920 1.00 0.00 H new ATOM 141 N PRO A 11 12.288 -3.755 9.663 1.00 0.00 N ATOM 142 CA PRO A 11 12.007 -4.285 8.325 1.00 0.00 C ATOM 143 C PRO A 11 10.812 -5.233 8.308 1.00 0.00 C ATOM 144 O PRO A 11 10.277 -5.554 7.247 1.00 0.00 O ATOM 145 CB PRO A 11 13.288 -5.033 7.958 1.00 0.00 C ATOM 146 CG PRO A 11 13.893 -5.399 9.264 1.00 0.00 C ATOM 147 CD PRO A 11 13.557 -4.276 10.204 1.00 0.00 C ATOM 0 HA PRO A 11 11.746 -3.491 7.625 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.073 -5.918 7.359 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.959 -4.406 7.371 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.493 -6.345 9.628 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.972 -5.523 9.173 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.444 -4.629 11.229 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.335 -3.512 10.214 1.00 0.00 H new ATOM 155 N ASP A 12 10.398 -5.679 9.489 1.00 0.00 N ATOM 156 CA ASP A 12 9.266 -6.591 9.607 1.00 0.00 C ATOM 157 C ASP A 12 7.978 -5.932 9.130 1.00 0.00 C ATOM 158 O ASP A 12 7.033 -6.610 8.728 1.00 0.00 O ATOM 159 CB ASP A 12 9.111 -7.058 11.052 1.00 0.00 C ATOM 160 CG ASP A 12 9.430 -8.531 11.222 1.00 0.00 C ATOM 161 OD1 ASP A 12 8.540 -9.366 10.953 1.00 0.00 O ATOM 162 OD2 ASP A 12 10.568 -8.849 11.625 1.00 0.00 O ATOM 0 H ASP A 12 10.829 -5.424 10.378 1.00 0.00 H new ATOM 0 HA ASP A 12 9.462 -7.455 8.972 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.768 -6.471 11.693 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.090 -6.870 11.384 1.00 0.00 H new ATOM 167 N ILE A 13 7.950 -4.607 9.173 1.00 0.00 N ATOM 168 CA ILE A 13 6.783 -3.857 8.741 1.00 0.00 C ATOM 169 C ILE A 13 6.691 -3.856 7.228 1.00 0.00 C ATOM 170 O ILE A 13 5.634 -4.108 6.650 1.00 0.00 O ATOM 171 CB ILE A 13 6.809 -2.407 9.284 1.00 0.00 C ATOM 172 CG1 ILE A 13 5.385 -1.916 9.550 1.00 0.00 C ATOM 173 CG2 ILE A 13 7.534 -1.456 8.336 1.00 0.00 C ATOM 174 CD1 ILE A 13 4.675 -2.687 10.641 1.00 0.00 C ATOM 0 H ILE A 13 8.724 -4.031 9.503 1.00 0.00 H new ATOM 0 HA ILE A 13 5.899 -4.347 9.149 1.00 0.00 H new ATOM 0 HB ILE A 13 7.364 -2.416 10.222 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.418 -0.861 9.824 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.806 -1.988 8.629 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.529 -0.450 8.756 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.564 -1.789 8.204 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.028 -1.449 7.370 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.671 -2.285 10.776 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.610 -3.738 10.361 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.232 -2.594 11.574 1.00 0.00 H new ATOM 186 N GLU A 14 7.820 -3.590 6.601 1.00 0.00 N ATOM 187 CA GLU A 14 7.903 -3.573 5.149 1.00 0.00 C ATOM 188 C GLU A 14 7.554 -4.946 4.591 1.00 0.00 C ATOM 189 O GLU A 14 7.132 -5.075 3.441 1.00 0.00 O ATOM 190 CB GLU A 14 9.304 -3.159 4.696 1.00 0.00 C ATOM 191 CG GLU A 14 9.308 -2.303 3.440 1.00 0.00 C ATOM 192 CD GLU A 14 9.537 -3.116 2.181 1.00 0.00 C ATOM 193 OE1 GLU A 14 10.171 -4.188 2.274 1.00 0.00 O ATOM 194 OE2 GLU A 14 9.081 -2.681 1.102 1.00 0.00 O ATOM 0 H GLU A 14 8.699 -3.381 7.075 1.00 0.00 H new ATOM 0 HA GLU A 14 7.188 -2.843 4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.790 -2.609 5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.899 -4.055 4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.357 -1.777 3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.086 -1.544 3.524 1.00 0.00 H new ATOM 201 N GLN A 15 7.726 -5.970 5.422 1.00 0.00 N ATOM 202 CA GLN A 15 7.424 -7.331 5.027 1.00 0.00 C ATOM 203 C GLN A 15 5.926 -7.554 4.980 1.00 0.00 C ATOM 204 O GLN A 15 5.374 -7.967 3.960 1.00 0.00 O ATOM 205 CB GLN A 15 8.077 -8.307 5.982 1.00 0.00 C ATOM 206 CG GLN A 15 9.429 -8.780 5.496 1.00 0.00 C ATOM 207 CD GLN A 15 9.331 -9.951 4.538 1.00 0.00 C ATOM 208 OE1 GLN A 15 9.318 -11.110 4.954 1.00 0.00 O ATOM 209 NE2 GLN A 15 9.261 -9.654 3.245 1.00 0.00 N ATOM 0 H GLN A 15 8.075 -5.876 6.376 1.00 0.00 H new ATOM 0 HA GLN A 15 7.824 -7.500 4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.191 -7.834 6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.423 -9.168 6.119 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.942 -7.955 5.003 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.038 -9.067 6.353 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.275 -8.679 2.944 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.193 -10.400 2.553 1.00 0.00 H new ATOM 218 N SER A 16 5.273 -7.252 6.088 1.00 0.00 N ATOM 219 CA SER A 16 3.831 -7.391 6.179 1.00 0.00 C ATOM 220 C SER A 16 3.156 -6.384 5.260 1.00 0.00 C ATOM 221 O SER A 16 2.009 -6.566 4.852 1.00 0.00 O ATOM 222 CB SER A 16 3.360 -7.191 7.621 1.00 0.00 C ATOM 223 OG SER A 16 3.715 -8.298 8.432 1.00 0.00 O ATOM 0 H SER A 16 5.719 -6.908 6.938 1.00 0.00 H new ATOM 0 HA SER A 16 3.557 -8.399 5.866 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.802 -6.281 8.028 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.279 -7.056 7.638 1.00 0.00 H new ATOM 0 HG SER A 16 2.905 -8.702 8.807 1.00 0.00 H new ATOM 229 N PHE A 17 3.887 -5.323 4.929 1.00 0.00 N ATOM 230 CA PHE A 17 3.374 -4.290 4.050 1.00 0.00 C ATOM 231 C PHE A 17 3.343 -4.783 2.613 1.00 0.00 C ATOM 232 O PHE A 17 2.496 -4.369 1.821 1.00 0.00 O ATOM 233 CB PHE A 17 4.220 -3.025 4.161 1.00 0.00 C ATOM 234 CG PHE A 17 3.566 -1.930 4.954 1.00 0.00 C ATOM 235 CD1 PHE A 17 2.220 -1.645 4.791 1.00 0.00 C ATOM 236 CD2 PHE A 17 4.299 -1.187 5.866 1.00 0.00 C ATOM 237 CE1 PHE A 17 1.617 -0.640 5.521 1.00 0.00 C ATOM 238 CE2 PHE A 17 3.701 -0.180 6.599 1.00 0.00 C ATOM 239 CZ PHE A 17 2.358 0.094 6.427 1.00 0.00 C ATOM 0 H PHE A 17 4.838 -5.161 5.260 1.00 0.00 H new ATOM 0 HA PHE A 17 2.355 -4.052 4.356 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.175 -3.276 4.623 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.439 -2.655 3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.635 -2.216 4.085 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.349 -1.398 6.005 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.567 -0.428 5.384 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.283 0.393 7.306 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.888 0.880 6.999 1.00 0.00 H new ATOM 249 N GLN A 18 4.267 -5.678 2.282 1.00 0.00 N ATOM 250 CA GLN A 18 4.330 -6.230 0.938 1.00 0.00 C ATOM 251 C GLN A 18 3.096 -7.068 0.652 1.00 0.00 C ATOM 252 O GLN A 18 2.591 -7.088 -0.468 1.00 0.00 O ATOM 253 CB GLN A 18 5.588 -7.079 0.746 1.00 0.00 C ATOM 254 CG GLN A 18 5.555 -7.927 -0.519 1.00 0.00 C ATOM 255 CD GLN A 18 6.921 -8.463 -0.901 1.00 0.00 C ATOM 256 OE1 GLN A 18 7.428 -9.400 -0.285 1.00 0.00 O ATOM 257 NE2 GLN A 18 7.525 -7.868 -1.924 1.00 0.00 N ATOM 0 H GLN A 18 4.977 -6.033 2.922 1.00 0.00 H new ATOM 0 HA GLN A 18 4.368 -5.396 0.238 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.459 -6.424 0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.713 -7.732 1.610 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.869 -8.762 -0.374 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.161 -7.330 -1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.068 -7.094 -2.406 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.446 -8.185 -2.227 1.00 0.00 H new ATOM 266 N GLU A 19 2.617 -7.757 1.674 1.00 0.00 N ATOM 267 CA GLU A 19 1.437 -8.596 1.530 1.00 0.00 C ATOM 268 C GLU A 19 0.249 -7.759 1.094 1.00 0.00 C ATOM 269 O GLU A 19 -0.589 -8.205 0.313 1.00 0.00 O ATOM 270 CB GLU A 19 1.129 -9.324 2.837 1.00 0.00 C ATOM 271 CG GLU A 19 1.194 -10.838 2.719 1.00 0.00 C ATOM 272 CD GLU A 19 -0.104 -11.440 2.218 1.00 0.00 C ATOM 273 OE1 GLU A 19 -0.347 -11.393 0.994 1.00 0.00 O ATOM 274 OE2 GLU A 19 -0.879 -11.958 3.050 1.00 0.00 O ATOM 0 H GLU A 19 3.024 -7.753 2.609 1.00 0.00 H new ATOM 0 HA GLU A 19 1.637 -9.345 0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.835 -8.997 3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.134 -9.037 3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.003 -11.111 2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.436 -11.265 3.692 1.00 0.00 H new ATOM 281 N ALA A 20 0.201 -6.535 1.590 1.00 0.00 N ATOM 282 CA ALA A 20 -0.864 -5.615 1.242 1.00 0.00 C ATOM 283 C ALA A 20 -0.588 -4.977 -0.112 1.00 0.00 C ATOM 284 O ALA A 20 -1.510 -4.620 -0.845 1.00 0.00 O ATOM 285 CB ALA A 20 -1.022 -4.551 2.318 1.00 0.00 C ATOM 0 H ALA A 20 0.891 -6.155 2.238 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.799 -6.172 1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.826 -3.869 2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.263 -5.028 3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.091 -3.993 2.417 1.00 0.00 H new ATOM 291 N LEU A 21 0.692 -4.851 -0.438 1.00 0.00 N ATOM 292 CA LEU A 21 1.107 -4.274 -1.704 1.00 0.00 C ATOM 293 C LEU A 21 0.966 -5.292 -2.826 1.00 0.00 C ATOM 294 O LEU A 21 0.669 -4.941 -3.968 1.00 0.00 O ATOM 295 CB LEU A 21 2.548 -3.774 -1.620 1.00 0.00 C ATOM 296 CG LEU A 21 2.745 -2.296 -1.965 1.00 0.00 C ATOM 297 CD1 LEU A 21 2.124 -1.975 -3.316 1.00 0.00 C ATOM 298 CD2 LEU A 21 2.152 -1.410 -0.880 1.00 0.00 C ATOM 0 H LEU A 21 1.463 -5.143 0.163 1.00 0.00 H new ATOM 0 HA LEU A 21 0.459 -3.425 -1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.918 -3.947 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.163 -4.373 -2.292 1.00 0.00 H new ATOM 0 HG LEU A 21 3.815 -2.097 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.274 -0.920 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.596 -2.584 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.056 -2.191 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.302 -0.363 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.085 -1.612 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.644 -1.619 0.070 1.00 0.00 H new ATOM 310 N SER A 22 1.170 -6.558 -2.486 1.00 0.00 N ATOM 311 CA SER A 22 1.056 -7.635 -3.453 1.00 0.00 C ATOM 312 C SER A 22 -0.408 -7.942 -3.719 1.00 0.00 C ATOM 313 O SER A 22 -0.795 -8.292 -4.834 1.00 0.00 O ATOM 314 CB SER A 22 1.776 -8.887 -2.951 1.00 0.00 C ATOM 315 OG SER A 22 3.164 -8.826 -3.233 1.00 0.00 O ATOM 0 H SER A 22 1.416 -6.862 -1.544 1.00 0.00 H new ATOM 0 HA SER A 22 1.527 -7.318 -4.384 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.624 -8.991 -1.877 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.345 -9.771 -3.421 1.00 0.00 H new ATOM 0 HG SER A 22 3.601 -9.637 -2.900 1.00 0.00 H new ATOM 321 N ILE A 23 -1.215 -7.800 -2.679 1.00 0.00 N ATOM 322 CA ILE A 23 -2.645 -8.051 -2.775 1.00 0.00 C ATOM 323 C ILE A 23 -3.365 -6.850 -3.378 1.00 0.00 C ATOM 324 O ILE A 23 -4.346 -6.997 -4.108 1.00 0.00 O ATOM 325 CB ILE A 23 -3.248 -8.397 -1.392 1.00 0.00 C ATOM 326 CG1 ILE A 23 -4.109 -9.658 -1.488 1.00 0.00 C ATOM 327 CG2 ILE A 23 -4.061 -7.238 -0.825 1.00 0.00 C ATOM 328 CD1 ILE A 23 -3.303 -10.933 -1.601 1.00 0.00 C ATOM 0 H ILE A 23 -0.901 -7.510 -1.753 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.786 -8.909 -3.432 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.421 -8.584 -0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.749 -9.719 -0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.766 -9.575 -2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.468 -7.520 0.146 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.419 -6.365 -0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.879 -7.000 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.979 -11.786 -1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.683 -10.893 -2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.666 -11.040 -0.723 1.00 0.00 H new ATOM 340 N TYR A 24 -2.863 -5.667 -3.060 1.00 0.00 N ATOM 341 CA TYR A 24 -3.435 -4.426 -3.555 1.00 0.00 C ATOM 342 C TYR A 24 -2.571 -3.824 -4.662 1.00 0.00 C ATOM 343 O TYR A 24 -1.851 -2.850 -4.439 1.00 0.00 O ATOM 344 CB TYR A 24 -3.599 -3.421 -2.424 1.00 0.00 C ATOM 345 CG TYR A 24 -4.360 -3.954 -1.232 1.00 0.00 C ATOM 346 CD1 TYR A 24 -5.518 -4.702 -1.400 1.00 0.00 C ATOM 347 CD2 TYR A 24 -3.918 -3.708 0.061 1.00 0.00 C ATOM 348 CE1 TYR A 24 -6.214 -5.191 -0.311 1.00 0.00 C ATOM 349 CE2 TYR A 24 -4.608 -4.194 1.155 1.00 0.00 C ATOM 350 CZ TYR A 24 -5.755 -4.934 0.964 1.00 0.00 C ATOM 351 OH TYR A 24 -6.445 -5.420 2.052 1.00 0.00 O ATOM 0 H TYR A 24 -2.052 -5.541 -2.455 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.416 -4.657 -3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -2.612 -3.095 -2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.115 -2.540 -2.807 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.880 -4.905 -2.397 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.020 -3.127 0.214 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.113 -5.772 -0.457 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.250 -3.995 2.154 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.622 -6.376 1.927 1.00 0.00 H new ATOM 361 N PRO A 25 -2.630 -4.399 -5.875 1.00 0.00 N ATOM 362 CA PRO A 25 -1.853 -3.919 -7.019 1.00 0.00 C ATOM 363 C PRO A 25 -2.118 -2.447 -7.326 1.00 0.00 C ATOM 364 O PRO A 25 -2.987 -1.825 -6.716 1.00 0.00 O ATOM 365 CB PRO A 25 -2.323 -4.804 -8.180 1.00 0.00 C ATOM 366 CG PRO A 25 -3.588 -5.428 -7.713 1.00 0.00 C ATOM 367 CD PRO A 25 -3.456 -5.558 -6.229 1.00 0.00 C ATOM 0 HA PRO A 25 -0.781 -3.982 -6.832 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.485 -4.215 -9.083 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.578 -5.561 -8.423 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.448 -4.812 -7.976 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.739 -6.402 -8.179 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.426 -5.531 -5.732 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.979 -6.496 -5.946 1.00 0.00 H new ATOM 375 N PRO A 26 -1.367 -1.869 -8.280 1.00 0.00 N ATOM 376 CA PRO A 26 -1.523 -0.462 -8.665 1.00 0.00 C ATOM 377 C PRO A 26 -2.849 -0.186 -9.371 1.00 0.00 C ATOM 378 O PRO A 26 -3.214 0.969 -9.591 1.00 0.00 O ATOM 379 CB PRO A 26 -0.352 -0.219 -9.616 1.00 0.00 C ATOM 380 CG PRO A 26 -0.029 -1.561 -10.163 1.00 0.00 C ATOM 381 CD PRO A 26 -0.307 -2.537 -9.055 1.00 0.00 C ATOM 0 HA PRO A 26 -1.528 0.194 -7.794 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.624 0.478 -10.409 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.501 0.211 -9.092 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.638 -1.782 -11.040 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.013 -1.614 -10.477 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.637 -3.502 -9.441 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.580 -2.722 -8.449 1.00 0.00 H new ATOM 389 N CYS A 27 -3.567 -1.248 -9.724 1.00 0.00 N ATOM 390 CA CYS A 27 -4.844 -1.112 -10.401 1.00 0.00 C ATOM 391 C CYS A 27 -5.819 -2.197 -9.953 1.00 0.00 C ATOM 392 O CYS A 27 -5.418 -3.322 -9.655 1.00 0.00 O ATOM 393 CB CYS A 27 -4.652 -1.168 -11.914 1.00 0.00 C ATOM 394 SG CYS A 27 -5.208 0.316 -12.784 1.00 0.00 S ATOM 0 H CYS A 27 -3.282 -2.212 -9.550 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.266 -0.143 -10.134 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.596 -1.328 -12.130 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.192 -2.030 -12.306 1.00 0.00 H new ATOM 0 HG CYS A 27 -5.002 0.174 -14.060 1.00 0.00 H new ATOM 400 N GLY A 28 -7.102 -1.850 -9.909 1.00 0.00 N ATOM 401 CA GLY A 28 -8.116 -2.803 -9.497 1.00 0.00 C ATOM 402 C GLY A 28 -8.986 -2.276 -8.373 1.00 0.00 C ATOM 403 O GLY A 28 -9.323 -3.009 -7.444 1.00 0.00 O ATOM 0 H GLY A 28 -7.457 -0.925 -10.152 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.744 -3.052 -10.352 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.633 -3.726 -9.176 1.00 0.00 H new ATOM 407 N ARG A 29 -9.349 -1.000 -8.457 1.00 0.00 N ATOM 408 CA ARG A 29 -10.184 -0.374 -7.439 1.00 0.00 C ATOM 409 C ARG A 29 -11.555 -1.039 -7.374 1.00 0.00 C ATOM 410 O ARG A 29 -12.408 -0.811 -8.232 1.00 0.00 O ATOM 411 CB ARG A 29 -10.343 1.120 -7.727 1.00 0.00 C ATOM 412 CG ARG A 29 -10.898 1.417 -9.111 1.00 0.00 C ATOM 413 CD ARG A 29 -10.326 2.707 -9.678 1.00 0.00 C ATOM 414 NE ARG A 29 -11.329 3.768 -9.743 1.00 0.00 N ATOM 415 CZ ARG A 29 -11.698 4.505 -8.698 1.00 0.00 C ATOM 416 NH1 ARG A 29 -11.151 4.301 -7.506 1.00 0.00 N ATOM 417 NH2 ARG A 29 -12.617 5.450 -8.845 1.00 0.00 N ATOM 0 H ARG A 29 -9.078 -0.380 -9.220 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.692 -0.501 -6.474 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.003 1.558 -6.978 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.374 1.607 -7.621 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.666 0.590 -9.782 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.984 1.491 -9.060 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.490 3.035 -9.060 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.930 2.520 -10.676 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.772 3.955 -10.642 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.443 3.576 -7.387 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.438 4.869 -6.709 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.041 5.612 -9.759 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.900 6.015 -8.044 1.00 0.00 H new ATOM 431 N ARG A 30 -11.761 -1.862 -6.351 1.00 0.00 N ATOM 432 CA ARG A 30 -13.029 -2.560 -6.174 1.00 0.00 C ATOM 433 C ARG A 30 -14.173 -1.569 -5.984 1.00 0.00 C ATOM 434 O ARG A 30 -13.963 -0.442 -5.534 1.00 0.00 O ATOM 435 CB ARG A 30 -12.952 -3.504 -4.973 1.00 0.00 C ATOM 436 CG ARG A 30 -13.895 -4.692 -5.072 1.00 0.00 C ATOM 437 CD ARG A 30 -15.230 -4.400 -4.405 1.00 0.00 C ATOM 438 NE ARG A 30 -16.349 -4.984 -5.139 1.00 0.00 N ATOM 439 CZ ARG A 30 -17.556 -5.184 -4.616 1.00 0.00 C ATOM 440 NH1 ARG A 30 -17.804 -4.848 -3.356 1.00 0.00 N ATOM 441 NH2 ARG A 30 -18.518 -5.721 -5.354 1.00 0.00 N ATOM 0 H ARG A 30 -11.066 -2.062 -5.632 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.223 -3.144 -7.074 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.930 -3.869 -4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.180 -2.944 -4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.058 -4.942 -6.120 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.436 -5.563 -4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -15.220 -4.792 -3.388 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -15.369 -3.322 -4.330 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.196 -5.255 -6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -17.068 -4.434 -2.784 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -18.731 -5.003 -2.960 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -18.333 -5.981 -6.323 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -19.443 -5.874 -4.953 1.00 0.00 H new ATOM 455 N LYS A 31 -15.383 -1.996 -6.329 1.00 0.00 N ATOM 456 CA LYS A 31 -16.560 -1.146 -6.196 1.00 0.00 C ATOM 457 C LYS A 31 -16.773 -0.734 -4.742 1.00 0.00 C ATOM 458 O LYS A 31 -15.927 -0.990 -3.884 1.00 0.00 O ATOM 459 CB LYS A 31 -17.801 -1.871 -6.721 1.00 0.00 C ATOM 460 CG LYS A 31 -18.747 -0.971 -7.499 1.00 0.00 C ATOM 461 CD LYS A 31 -20.200 -1.343 -7.251 1.00 0.00 C ATOM 462 CE LYS A 31 -21.119 -0.143 -7.417 1.00 0.00 C ATOM 463 NZ LYS A 31 -22.404 -0.322 -6.688 1.00 0.00 N ATOM 0 H LYS A 31 -15.574 -2.926 -6.703 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.396 -0.246 -6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.487 -2.694 -7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -18.339 -2.309 -5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -18.582 0.067 -7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -18.528 -1.045 -8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -20.499 -2.130 -7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -20.306 -1.747 -6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.616 0.752 -7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -21.322 0.015 -8.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -23.002 0.518 -6.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -22.897 -1.162 -7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -22.213 -0.447 -5.673 1.00 0.00 H new ATOM 477 N ILE A 32 -17.907 -0.096 -4.472 1.00 0.00 N ATOM 478 CA ILE A 32 -18.231 0.350 -3.127 1.00 0.00 C ATOM 479 C ILE A 32 -19.706 0.721 -3.008 1.00 0.00 C ATOM 480 O ILE A 32 -20.332 1.138 -3.983 1.00 0.00 O ATOM 481 CB ILE A 32 -17.366 1.557 -2.716 1.00 0.00 C ATOM 482 CG1 ILE A 32 -17.576 1.885 -1.237 1.00 0.00 C ATOM 483 CG2 ILE A 32 -17.684 2.766 -3.585 1.00 0.00 C ATOM 484 CD1 ILE A 32 -17.141 0.775 -0.304 1.00 0.00 C ATOM 0 H ILE A 32 -18.617 0.123 -5.171 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.020 -0.482 -2.456 1.00 0.00 H new ATOM 0 HB ILE A 32 -16.318 1.297 -2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -17.023 2.792 -0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -18.631 2.099 -1.067 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -17.063 3.608 -3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -17.482 2.527 -4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -18.735 3.030 -3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -17.319 1.077 0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -17.712 -0.128 -0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -16.079 0.576 -0.446 1.00 0.00 H new ATOM 496 N ILE A 33 -20.256 0.567 -1.807 1.00 0.00 N ATOM 497 CA ILE A 33 -21.650 0.883 -1.558 1.00 0.00 C ATOM 498 C ILE A 33 -21.782 2.136 -0.697 1.00 0.00 C ATOM 499 O ILE A 33 -21.769 2.061 0.532 1.00 0.00 O ATOM 500 CB ILE A 33 -22.402 -0.284 -0.872 1.00 0.00 C ATOM 501 CG1 ILE A 33 -21.424 -1.304 -0.277 1.00 0.00 C ATOM 502 CG2 ILE A 33 -23.339 -0.964 -1.859 1.00 0.00 C ATOM 503 CD1 ILE A 33 -20.699 -0.801 0.952 1.00 0.00 C ATOM 0 H ILE A 33 -19.751 0.223 -0.990 1.00 0.00 H new ATOM 0 HA ILE A 33 -22.104 1.058 -2.533 1.00 0.00 H new ATOM 0 HB ILE A 33 -22.991 0.132 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -21.970 -2.212 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -20.690 -1.577 -1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -23.860 -1.782 -1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -24.067 -0.241 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -22.762 -1.357 -2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -20.024 -1.575 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -20.125 0.090 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -21.425 -0.555 1.727 1.00 0.00 H new ATOM 515 N LEU A 34 -21.908 3.286 -1.351 1.00 0.00 N ATOM 516 CA LEU A 34 -22.042 4.553 -0.652 1.00 0.00 C ATOM 517 C LEU A 34 -23.326 4.599 0.171 1.00 0.00 C ATOM 518 O LEU A 34 -23.457 5.408 1.089 1.00 0.00 O ATOM 519 CB LEU A 34 -22.022 5.708 -1.655 1.00 0.00 C ATOM 520 CG LEU A 34 -22.720 5.432 -2.991 1.00 0.00 C ATOM 521 CD1 LEU A 34 -23.543 6.636 -3.423 1.00 0.00 C ATOM 522 CD2 LEU A 34 -21.699 5.070 -4.061 1.00 0.00 C ATOM 0 H LEU A 34 -21.920 3.363 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.199 4.652 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -22.491 6.576 -1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -20.984 5.975 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 34 -23.394 4.586 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -24.031 6.421 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -24.299 6.850 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -22.890 7.501 -3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -22.212 4.877 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.000 5.896 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.153 4.177 -3.756 1.00 0.00 H new ATOM 534 N SER A 35 -24.273 3.728 -0.162 1.00 0.00 N ATOM 535 CA SER A 35 -25.544 3.674 0.550 1.00 0.00 C ATOM 536 C SER A 35 -25.346 3.302 2.018 1.00 0.00 C ATOM 537 O SER A 35 -26.236 3.506 2.843 1.00 0.00 O ATOM 538 CB SER A 35 -26.482 2.673 -0.122 1.00 0.00 C ATOM 539 OG SER A 35 -27.646 3.315 -0.612 1.00 0.00 O ATOM 0 H SER A 35 -24.184 3.051 -0.920 1.00 0.00 H new ATOM 0 HA SER A 35 -25.991 4.668 0.512 1.00 0.00 H new ATOM 0 HB2 SER A 35 -25.963 2.178 -0.943 1.00 0.00 H new ATOM 0 HB3 SER A 35 -26.763 1.898 0.591 1.00 0.00 H new ATOM 0 HG SER A 35 -28.229 2.653 -1.039 1.00 0.00 H new ATOM 545 N ASP A 36 -24.178 2.753 2.339 1.00 0.00 N ATOM 546 CA ASP A 36 -23.872 2.353 3.704 1.00 0.00 C ATOM 547 C ASP A 36 -23.582 3.567 4.581 1.00 0.00 C ATOM 548 O ASP A 36 -24.333 3.869 5.508 1.00 0.00 O ATOM 549 CB ASP A 36 -22.677 1.398 3.721 1.00 0.00 C ATOM 550 CG ASP A 36 -23.098 -0.053 3.843 1.00 0.00 C ATOM 551 OD1 ASP A 36 -23.567 -0.622 2.834 1.00 0.00 O ATOM 552 OD2 ASP A 36 -22.960 -0.621 4.947 1.00 0.00 O ATOM 0 H ASP A 36 -23.429 2.576 1.670 1.00 0.00 H new ATOM 0 HA ASP A 36 -24.745 1.841 4.108 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.097 1.530 2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -22.022 1.655 4.554 1.00 0.00 H new ATOM 557 N GLU A 37 -22.485 4.257 4.284 1.00 0.00 N ATOM 558 CA GLU A 37 -22.092 5.430 5.046 1.00 0.00 C ATOM 559 C GLU A 37 -22.105 6.690 4.184 1.00 0.00 C ATOM 560 O GLU A 37 -22.246 7.801 4.696 1.00 0.00 O ATOM 561 CB GLU A 37 -20.707 5.226 5.658 1.00 0.00 C ATOM 562 CG GLU A 37 -20.705 5.245 7.175 1.00 0.00 C ATOM 563 CD GLU A 37 -19.852 6.362 7.746 1.00 0.00 C ATOM 564 OE1 GLU A 37 -18.636 6.145 7.928 1.00 0.00 O ATOM 565 OE2 GLU A 37 -20.401 7.452 8.011 1.00 0.00 O ATOM 0 H GLU A 37 -21.853 4.021 3.519 1.00 0.00 H new ATOM 0 HA GLU A 37 -22.821 5.564 5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -20.304 4.273 5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -20.039 6.006 5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -21.728 5.355 7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -20.338 4.288 7.546 1.00 0.00 H new ATOM 572 N GLY A 38 -21.959 6.512 2.877 1.00 0.00 N ATOM 573 CA GLY A 38 -21.959 7.639 1.970 1.00 0.00 C ATOM 574 C GLY A 38 -20.581 8.250 1.785 1.00 0.00 C ATOM 575 O GLY A 38 -20.367 9.040 0.866 1.00 0.00 O ATOM 0 H GLY A 38 -21.840 5.603 2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -22.342 7.319 1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -22.641 8.401 2.346 1.00 0.00 H new ATOM 579 N LYS A 39 -19.640 7.875 2.648 1.00 0.00 N ATOM 580 CA LYS A 39 -18.286 8.376 2.563 1.00 0.00 C ATOM 581 C LYS A 39 -17.303 7.299 2.998 1.00 0.00 C ATOM 582 O LYS A 39 -16.959 7.189 4.174 1.00 0.00 O ATOM 583 CB LYS A 39 -18.119 9.625 3.430 1.00 0.00 C ATOM 584 CG LYS A 39 -18.460 10.918 2.706 1.00 0.00 C ATOM 585 CD LYS A 39 -19.901 11.333 2.959 1.00 0.00 C ATOM 586 CE LYS A 39 -20.417 12.248 1.860 1.00 0.00 C ATOM 587 NZ LYS A 39 -21.216 11.505 0.848 1.00 0.00 N ATOM 0 H LYS A 39 -19.800 7.222 3.415 1.00 0.00 H new ATOM 0 HA LYS A 39 -18.080 8.646 1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -18.754 9.533 4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -17.089 9.677 3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.788 11.710 3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -18.299 10.791 1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -20.531 10.446 3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -19.971 11.842 3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -21.030 13.034 2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -19.575 12.737 1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -21.434 12.133 0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -20.671 10.688 0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -22.102 11.174 1.280 1.00 0.00 H new ATOM 601 N MET A 40 -16.853 6.517 2.033 1.00 0.00 N ATOM 602 CA MET A 40 -15.903 5.450 2.287 1.00 0.00 C ATOM 603 C MET A 40 -15.011 5.228 1.072 1.00 0.00 C ATOM 604 O MET A 40 -15.300 4.388 0.220 1.00 0.00 O ATOM 605 CB MET A 40 -16.636 4.155 2.646 1.00 0.00 C ATOM 606 CG MET A 40 -17.760 3.806 1.685 1.00 0.00 C ATOM 607 SD MET A 40 -19.172 3.049 2.513 1.00 0.00 S ATOM 608 CE MET A 40 -18.634 1.343 2.608 1.00 0.00 C ATOM 0 H MET A 40 -17.134 6.603 1.056 1.00 0.00 H new ATOM 0 HA MET A 40 -15.277 5.743 3.130 1.00 0.00 H new ATOM 0 HB2 MET A 40 -15.918 3.335 2.666 1.00 0.00 H new ATOM 0 HB3 MET A 40 -17.045 4.246 3.652 1.00 0.00 H new ATOM 0 HG2 MET A 40 -18.087 4.710 1.171 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.383 3.124 0.923 1.00 0.00 H new ATOM 0 HE1 MET A 40 -19.261 0.803 3.317 1.00 0.00 H new ATOM 0 HE2 MET A 40 -18.717 0.880 1.625 1.00 0.00 H new ATOM 0 HE3 MET A 40 -17.596 1.307 2.940 1.00 0.00 H new ATOM 618 N TYR A 41 -13.927 5.988 1.002 1.00 0.00 N ATOM 619 CA TYR A 41 -12.989 5.882 -0.101 1.00 0.00 C ATOM 620 C TYR A 41 -11.561 6.151 0.366 1.00 0.00 C ATOM 621 O TYR A 41 -11.099 7.291 0.358 1.00 0.00 O ATOM 622 CB TYR A 41 -13.370 6.852 -1.216 1.00 0.00 C ATOM 623 CG TYR A 41 -13.638 6.177 -2.542 1.00 0.00 C ATOM 624 CD1 TYR A 41 -12.636 5.473 -3.199 1.00 0.00 C ATOM 625 CD2 TYR A 41 -14.891 6.243 -3.137 1.00 0.00 C ATOM 626 CE1 TYR A 41 -12.876 4.855 -4.412 1.00 0.00 C ATOM 627 CE2 TYR A 41 -15.139 5.627 -4.349 1.00 0.00 C ATOM 628 CZ TYR A 41 -14.129 4.935 -4.982 1.00 0.00 C ATOM 629 OH TYR A 41 -14.372 4.320 -6.189 1.00 0.00 O ATOM 0 H TYR A 41 -13.677 6.687 1.701 1.00 0.00 H new ATOM 0 HA TYR A 41 -13.035 4.864 -0.487 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.258 7.407 -0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.568 7.579 -1.344 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -11.654 5.408 -2.755 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -15.685 6.785 -2.644 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.086 4.312 -4.911 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.119 5.688 -4.798 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.304 4.471 -6.451 1.00 0.00 H new ATOM 639 N GLY A 42 -10.867 5.091 0.767 1.00 0.00 N ATOM 640 CA GLY A 42 -9.503 5.227 1.225 1.00 0.00 C ATOM 641 C GLY A 42 -8.695 3.960 1.023 1.00 0.00 C ATOM 642 O GLY A 42 -8.819 3.008 1.793 1.00 0.00 O ATOM 0 H GLY A 42 -11.230 4.138 0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.024 6.049 0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.503 5.490 2.283 1.00 0.00 H new ATOM 646 N ARG A 43 -7.868 3.948 -0.016 1.00 0.00 N ATOM 647 CA ARG A 43 -7.040 2.789 -0.320 1.00 0.00 C ATOM 648 C ARG A 43 -5.925 2.623 0.707 1.00 0.00 C ATOM 649 O ARG A 43 -5.437 1.516 0.936 1.00 0.00 O ATOM 650 CB ARG A 43 -6.449 2.913 -1.723 1.00 0.00 C ATOM 651 CG ARG A 43 -6.901 1.815 -2.672 1.00 0.00 C ATOM 652 CD ARG A 43 -8.016 2.294 -3.588 1.00 0.00 C ATOM 653 NE ARG A 43 -7.870 1.774 -4.946 1.00 0.00 N ATOM 654 CZ ARG A 43 -6.891 2.131 -5.775 1.00 0.00 C ATOM 655 NH1 ARG A 43 -5.972 3.007 -5.389 1.00 0.00 N ATOM 656 NH2 ARG A 43 -6.831 1.609 -6.992 1.00 0.00 N ATOM 0 H ARG A 43 -7.754 4.729 -0.662 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.674 1.903 -0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.727 3.880 -2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.361 2.896 -1.653 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.055 1.480 -3.272 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.245 0.955 -2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.978 1.982 -3.182 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.020 3.384 -3.615 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.558 1.098 -5.278 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.013 3.410 -4.453 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.224 3.277 -6.028 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.534 0.934 -7.293 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.081 1.882 -7.628 1.00 0.00 H new ATOM 670 N ASN A 44 -5.525 3.729 1.319 1.00 0.00 N ATOM 671 CA ASN A 44 -4.467 3.710 2.318 1.00 0.00 C ATOM 672 C ASN A 44 -4.942 3.056 3.608 1.00 0.00 C ATOM 673 O ASN A 44 -4.162 2.433 4.327 1.00 0.00 O ATOM 674 CB ASN A 44 -3.970 5.127 2.596 1.00 0.00 C ATOM 675 CG ASN A 44 -2.511 5.312 2.224 1.00 0.00 C ATOM 676 OD1 ASN A 44 -1.726 4.365 2.250 1.00 0.00 O ATOM 677 ND2 ASN A 44 -2.141 6.539 1.875 1.00 0.00 N ATOM 0 H ASN A 44 -5.919 4.653 1.140 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.642 3.119 1.921 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.578 5.838 2.037 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.104 5.355 3.653 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.172 6.725 1.615 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.825 7.295 1.867 1.00 0.00 H new ATOM 684 N GLU A 45 -6.227 3.200 3.892 1.00 0.00 N ATOM 685 CA GLU A 45 -6.813 2.622 5.092 1.00 0.00 C ATOM 686 C GLU A 45 -6.950 1.113 4.950 1.00 0.00 C ATOM 687 O GLU A 45 -6.889 0.375 5.934 1.00 0.00 O ATOM 688 CB GLU A 45 -8.177 3.251 5.380 1.00 0.00 C ATOM 689 CG GLU A 45 -8.488 3.381 6.862 1.00 0.00 C ATOM 690 CD GLU A 45 -9.977 3.415 7.145 1.00 0.00 C ATOM 691 OE1 GLU A 45 -10.596 4.479 6.936 1.00 0.00 O ATOM 692 OE2 GLU A 45 -10.523 2.378 7.576 1.00 0.00 O ATOM 0 H GLU A 45 -6.886 3.713 3.306 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.148 2.832 5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.216 4.239 4.921 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.952 2.649 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.039 2.545 7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.028 4.291 7.247 1.00 0.00 H new ATOM 699 N LEU A 46 -7.130 0.664 3.717 1.00 0.00 N ATOM 700 CA LEU A 46 -7.269 -0.755 3.432 1.00 0.00 C ATOM 701 C LEU A 46 -5.937 -1.469 3.591 1.00 0.00 C ATOM 702 O LEU A 46 -5.883 -2.631 3.994 1.00 0.00 O ATOM 703 CB LEU A 46 -7.810 -0.963 2.019 1.00 0.00 C ATOM 704 CG LEU A 46 -8.999 -1.918 1.912 1.00 0.00 C ATOM 705 CD1 LEU A 46 -9.534 -1.944 0.489 1.00 0.00 C ATOM 706 CD2 LEU A 46 -8.598 -3.316 2.358 1.00 0.00 C ATOM 0 H LEU A 46 -7.183 1.265 2.895 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.976 -1.178 4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.104 0.005 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.004 -1.340 1.390 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.791 -1.560 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.380 -2.629 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.857 -0.943 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.749 -2.279 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.455 -3.984 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.790 -3.682 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.260 -3.285 3.394 1.00 0.00 H new ATOM 718 N ILE A 47 -4.865 -0.761 3.273 1.00 0.00 N ATOM 719 CA ILE A 47 -3.527 -1.315 3.378 1.00 0.00 C ATOM 720 C ILE A 47 -3.103 -1.423 4.832 1.00 0.00 C ATOM 721 O ILE A 47 -2.512 -2.418 5.252 1.00 0.00 O ATOM 722 CB ILE A 47 -2.506 -0.467 2.579 1.00 0.00 C ATOM 723 CG1 ILE A 47 -1.547 -1.377 1.810 1.00 0.00 C ATOM 724 CG2 ILE A 47 -1.731 0.484 3.486 1.00 0.00 C ATOM 725 CD1 ILE A 47 -1.238 -0.887 0.413 1.00 0.00 C ATOM 0 H ILE A 47 -4.897 0.202 2.939 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.547 -2.316 2.947 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.064 0.141 1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.616 -1.465 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.978 -2.376 1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.025 1.061 2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.426 1.161 3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.187 -0.091 4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.552 -1.581 -0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.161 -0.826 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.778 0.100 0.467 1.00 0.00 H new ATOM 737 N ALA A 48 -3.422 -0.393 5.594 1.00 0.00 N ATOM 738 CA ALA A 48 -3.091 -0.364 7.007 1.00 0.00 C ATOM 739 C ALA A 48 -3.966 -1.337 7.778 1.00 0.00 C ATOM 740 O ALA A 48 -3.563 -1.867 8.811 1.00 0.00 O ATOM 741 CB ALA A 48 -3.231 1.046 7.560 1.00 0.00 C ATOM 0 H ALA A 48 -3.911 0.436 5.257 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.052 -0.673 7.125 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.979 1.048 8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.557 1.715 7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.258 1.387 7.431 1.00 0.00 H new ATOM 747 N ARG A 49 -5.160 -1.582 7.258 1.00 0.00 N ATOM 748 CA ARG A 49 -6.082 -2.509 7.888 1.00 0.00 C ATOM 749 C ARG A 49 -5.581 -3.936 7.725 1.00 0.00 C ATOM 750 O ARG A 49 -5.870 -4.807 8.545 1.00 0.00 O ATOM 751 CB ARG A 49 -7.483 -2.367 7.290 1.00 0.00 C ATOM 752 CG ARG A 49 -8.574 -3.002 8.136 1.00 0.00 C ATOM 753 CD ARG A 49 -9.728 -3.497 7.279 1.00 0.00 C ATOM 754 NE ARG A 49 -11.013 -3.367 7.962 1.00 0.00 N ATOM 755 CZ ARG A 49 -12.160 -3.837 7.478 1.00 0.00 C ATOM 756 NH1 ARG A 49 -12.187 -4.468 6.311 1.00 0.00 N ATOM 757 NH2 ARG A 49 -13.284 -3.677 8.164 1.00 0.00 N ATOM 0 H ARG A 49 -5.511 -1.151 6.402 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.138 -2.273 8.951 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.707 -1.308 7.158 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.493 -2.821 6.299 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.158 -3.835 8.703 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.943 -2.276 8.860 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.755 -2.933 6.346 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.562 -4.542 7.015 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.032 -2.888 8.862 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.326 -4.595 5.780 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.069 -4.826 5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.269 -3.194 9.062 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.163 -4.037 7.793 1.00 0.00 H new ATOM 771 N TYR A 50 -4.816 -4.162 6.663 1.00 0.00 N ATOM 772 CA TYR A 50 -4.259 -5.476 6.392 1.00 0.00 C ATOM 773 C TYR A 50 -3.200 -5.830 7.415 1.00 0.00 C ATOM 774 O TYR A 50 -3.247 -6.888 8.043 1.00 0.00 O ATOM 775 CB TYR A 50 -3.660 -5.521 4.997 1.00 0.00 C ATOM 776 CG TYR A 50 -3.599 -6.911 4.405 1.00 0.00 C ATOM 777 CD1 TYR A 50 -4.669 -7.433 3.690 1.00 0.00 C ATOM 778 CD2 TYR A 50 -2.468 -7.700 4.563 1.00 0.00 C ATOM 779 CE1 TYR A 50 -4.613 -8.703 3.149 1.00 0.00 C ATOM 780 CE2 TYR A 50 -2.403 -8.970 4.025 1.00 0.00 C ATOM 781 CZ TYR A 50 -3.478 -9.468 3.319 1.00 0.00 C ATOM 782 OH TYR A 50 -3.418 -10.733 2.783 1.00 0.00 O ATOM 0 H TYR A 50 -4.569 -3.449 5.977 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.067 -6.205 6.456 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.247 -4.881 4.338 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.653 -5.106 5.030 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.559 -6.837 3.555 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.625 -7.314 5.116 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.454 -9.095 2.596 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.515 -9.570 4.156 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.533 -11.118 2.951 1.00 0.00 H new ATOM 792 N ILE A 51 -2.248 -4.932 7.577 1.00 0.00 N ATOM 793 CA ILE A 51 -1.169 -5.134 8.526 1.00 0.00 C ATOM 794 C ILE A 51 -1.697 -5.103 9.950 1.00 0.00 C ATOM 795 O ILE A 51 -1.204 -5.813 10.826 1.00 0.00 O ATOM 796 CB ILE A 51 -0.051 -4.084 8.370 1.00 0.00 C ATOM 797 CG1 ILE A 51 -0.594 -2.769 7.804 1.00 0.00 C ATOM 798 CG2 ILE A 51 1.062 -4.625 7.485 1.00 0.00 C ATOM 799 CD1 ILE A 51 0.324 -1.590 8.033 1.00 0.00 C ATOM 0 H ILE A 51 -2.199 -4.053 7.062 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.742 -6.114 8.314 1.00 0.00 H new ATOM 0 HB ILE A 51 0.355 -3.877 9.360 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.763 -2.885 6.733 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.562 -2.559 8.258 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.844 -3.873 7.384 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.480 -5.525 7.936 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.660 -4.865 6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.123 -0.692 7.606 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.473 -1.448 9.103 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.285 -1.779 7.555 1.00 0.00 H new ATOM 811 N LYS A 52 -2.712 -4.283 10.170 1.00 0.00 N ATOM 812 CA LYS A 52 -3.324 -4.162 11.482 1.00 0.00 C ATOM 813 C LYS A 52 -4.212 -5.366 11.775 1.00 0.00 C ATOM 814 O LYS A 52 -4.455 -5.704 12.933 1.00 0.00 O ATOM 815 CB LYS A 52 -4.138 -2.870 11.579 1.00 0.00 C ATOM 816 CG LYS A 52 -4.276 -2.341 12.997 1.00 0.00 C ATOM 817 CD LYS A 52 -5.171 -3.233 13.841 1.00 0.00 C ATOM 818 CE LYS A 52 -5.941 -2.430 14.877 1.00 0.00 C ATOM 819 NZ LYS A 52 -7.261 -1.976 14.358 1.00 0.00 N ATOM 0 H LYS A 52 -3.130 -3.690 9.454 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.528 -4.129 12.226 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.667 -2.107 10.960 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.132 -3.045 11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.291 -2.272 13.458 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.687 -1.332 12.971 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.872 -3.762 13.195 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.565 -3.989 14.341 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.091 -3.038 15.769 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.351 -1.564 15.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.755 -1.432 15.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.117 -1.375 13.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.834 -2.803 14.096 1.00 0.00 H new ATOM 833 N LEU A 53 -4.692 -6.010 10.717 1.00 0.00 N ATOM 834 CA LEU A 53 -5.552 -7.173 10.860 1.00 0.00 C ATOM 835 C LEU A 53 -4.736 -8.435 11.121 1.00 0.00 C ATOM 836 O LEU A 53 -5.229 -9.391 11.719 1.00 0.00 O ATOM 837 CB LEU A 53 -6.411 -7.356 9.607 1.00 0.00 C ATOM 838 CG LEU A 53 -7.319 -8.587 9.618 1.00 0.00 C ATOM 839 CD1 LEU A 53 -8.605 -8.308 8.855 1.00 0.00 C ATOM 840 CD2 LEU A 53 -6.596 -9.788 9.026 1.00 0.00 C ATOM 0 H LEU A 53 -4.499 -5.744 9.751 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.202 -7.004 11.718 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.030 -6.468 9.477 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.753 -7.416 8.740 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.576 -8.816 10.652 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.239 -9.195 8.873 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.132 -7.476 9.322 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.367 -8.053 7.822 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.257 -10.655 9.042 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.309 -9.569 7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.703 -10.002 9.614 1.00 0.00 H new ATOM 852 N ARG A 54 -3.490 -8.433 10.663 1.00 0.00 N ATOM 853 CA ARG A 54 -2.612 -9.578 10.840 1.00 0.00 C ATOM 854 C ARG A 54 -1.505 -9.286 11.844 1.00 0.00 C ATOM 855 O ARG A 54 -1.372 -9.969 12.859 1.00 0.00 O ATOM 856 CB ARG A 54 -2.003 -9.992 9.499 1.00 0.00 C ATOM 857 CG ARG A 54 -1.777 -11.489 9.371 1.00 0.00 C ATOM 858 CD ARG A 54 -1.373 -11.872 7.957 1.00 0.00 C ATOM 859 NE ARG A 54 -2.511 -12.342 7.170 1.00 0.00 N ATOM 860 CZ ARG A 54 -3.028 -13.564 7.271 1.00 0.00 C ATOM 861 NH1 ARG A 54 -2.514 -14.442 8.124 1.00 0.00 N ATOM 862 NH2 ARG A 54 -4.064 -13.909 6.519 1.00 0.00 N ATOM 0 H ARG A 54 -3.067 -7.649 10.166 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.214 -10.397 11.232 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.659 -9.662 8.694 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.052 -9.477 9.367 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.001 -11.802 10.070 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.688 -12.021 9.647 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.922 -11.011 7.463 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.613 -12.652 7.996 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.934 -11.695 6.504 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.718 -14.181 8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.915 -15.377 8.197 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.464 -13.238 5.863 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.461 -14.846 6.596 1.00 0.00 H new ATOM 876 N THR A 55 -0.710 -8.276 11.541 1.00 0.00 N ATOM 877 CA THR A 55 0.402 -7.886 12.397 1.00 0.00 C ATOM 878 C THR A 55 -0.072 -7.071 13.592 1.00 0.00 C ATOM 879 O THR A 55 -0.006 -7.522 14.735 1.00 0.00 O ATOM 880 CB THR A 55 1.439 -7.092 11.597 1.00 0.00 C ATOM 881 OG1 THR A 55 0.976 -6.836 10.283 1.00 0.00 O ATOM 882 CG2 THR A 55 2.773 -7.798 11.483 1.00 0.00 C ATOM 0 H THR A 55 -0.813 -7.705 10.702 1.00 0.00 H new ATOM 0 HA THR A 55 0.864 -8.798 12.774 1.00 0.00 H new ATOM 0 HB THR A 55 1.580 -6.164 12.151 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.393 -6.048 10.289 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.462 -7.183 10.905 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.183 -7.964 12.479 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.636 -8.757 10.983 1.00 0.00 H new ATOM 890 N GLY A 56 -0.539 -5.869 13.312 1.00 0.00 N ATOM 891 CA GLY A 56 -1.013 -4.989 14.355 1.00 0.00 C ATOM 892 C GLY A 56 -0.058 -3.840 14.630 1.00 0.00 C ATOM 893 O GLY A 56 -0.401 -2.897 15.344 1.00 0.00 O ATOM 0 H GLY A 56 -0.599 -5.483 12.370 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.986 -4.588 14.072 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.159 -5.562 15.270 1.00 0.00 H new ATOM 897 N LYS A 57 1.142 -3.918 14.061 1.00 0.00 N ATOM 898 CA LYS A 57 2.149 -2.881 14.243 1.00 0.00 C ATOM 899 C LYS A 57 1.766 -1.613 13.487 1.00 0.00 C ATOM 900 O LYS A 57 0.650 -1.495 12.980 1.00 0.00 O ATOM 901 CB LYS A 57 3.514 -3.381 13.777 1.00 0.00 C ATOM 902 CG LYS A 57 4.551 -3.440 14.887 1.00 0.00 C ATOM 903 CD LYS A 57 4.259 -4.569 15.862 1.00 0.00 C ATOM 904 CE LYS A 57 5.538 -5.244 16.331 1.00 0.00 C ATOM 905 NZ LYS A 57 5.822 -6.489 15.565 1.00 0.00 N ATOM 0 H LYS A 57 1.440 -4.693 13.468 1.00 0.00 H new ATOM 0 HA LYS A 57 2.204 -2.642 15.305 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.399 -4.375 13.345 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.879 -2.729 12.984 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.542 -3.579 14.454 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.567 -2.491 15.422 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.716 -4.177 16.722 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.612 -5.305 15.385 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.374 -4.553 16.223 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.455 -5.481 17.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.702 -6.919 15.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.036 -7.159 15.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.926 -6.260 14.556 1.00 0.00 H new ATOM 919 N THR A 58 2.697 -0.664 13.416 1.00 0.00 N ATOM 920 CA THR A 58 2.456 0.600 12.722 1.00 0.00 C ATOM 921 C THR A 58 1.827 0.358 11.352 1.00 0.00 C ATOM 922 O THR A 58 1.773 -0.777 10.878 1.00 0.00 O ATOM 923 CB THR A 58 3.766 1.375 12.567 1.00 0.00 C ATOM 924 OG1 THR A 58 3.529 2.659 12.015 1.00 0.00 O ATOM 925 CG2 THR A 58 4.778 0.673 11.684 1.00 0.00 C ATOM 0 H THR A 58 3.625 -0.746 13.830 1.00 0.00 H new ATOM 0 HA THR A 58 1.761 1.189 13.320 1.00 0.00 H new ATOM 0 HB THR A 58 4.177 1.449 13.574 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.379 3.139 11.926 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.683 1.277 11.617 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.021 -0.300 12.112 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.358 0.536 10.687 1.00 0.00 H new ATOM 933 N ARG A 59 1.361 1.429 10.716 1.00 0.00 N ATOM 934 CA ARG A 59 0.747 1.330 9.406 1.00 0.00 C ATOM 935 C ARG A 59 0.889 2.647 8.657 1.00 0.00 C ATOM 936 O ARG A 59 -0.096 3.334 8.384 1.00 0.00 O ATOM 937 CB ARG A 59 -0.740 0.961 9.519 1.00 0.00 C ATOM 938 CG ARG A 59 -1.092 0.118 10.737 1.00 0.00 C ATOM 939 CD ARG A 59 -1.103 0.948 12.012 1.00 0.00 C ATOM 940 NE ARG A 59 -2.349 0.788 12.758 1.00 0.00 N ATOM 941 CZ ARG A 59 -3.480 1.423 12.459 1.00 0.00 C ATOM 942 NH1 ARG A 59 -3.528 2.262 11.431 1.00 0.00 N ATOM 943 NH2 ARG A 59 -4.568 1.219 13.190 1.00 0.00 N ATOM 0 H ARG A 59 1.400 2.376 11.092 1.00 0.00 H new ATOM 0 HA ARG A 59 1.260 0.542 8.855 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.328 1.879 9.546 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.036 0.419 8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.071 -0.340 10.592 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.372 -0.694 10.838 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.263 0.656 12.642 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.963 2.000 11.761 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.352 0.152 13.555 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.695 2.423 10.865 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.398 2.745 11.207 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.538 0.576 13.981 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.435 1.705 12.961 1.00 0.00 H new ATOM 957 N THR A 60 2.124 2.985 8.319 1.00 0.00 N ATOM 958 CA THR A 60 2.409 4.216 7.589 1.00 0.00 C ATOM 959 C THR A 60 1.583 4.279 6.306 1.00 0.00 C ATOM 960 O THR A 60 1.251 3.246 5.725 1.00 0.00 O ATOM 961 CB THR A 60 3.900 4.305 7.257 1.00 0.00 C ATOM 962 OG1 THR A 60 4.202 5.542 6.634 1.00 0.00 O ATOM 963 CG2 THR A 60 4.376 3.201 6.338 1.00 0.00 C ATOM 0 H THR A 60 2.948 2.425 8.538 1.00 0.00 H new ATOM 0 HA THR A 60 2.138 5.061 8.222 1.00 0.00 H new ATOM 0 HB THR A 60 4.415 4.207 8.213 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.161 5.725 6.718 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.441 3.324 6.143 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.203 2.234 6.810 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.827 3.249 5.397 1.00 0.00 H new ATOM 971 N ARG A 61 1.244 5.488 5.872 1.00 0.00 N ATOM 972 CA ARG A 61 0.452 5.667 4.668 1.00 0.00 C ATOM 973 C ARG A 61 1.276 6.280 3.545 1.00 0.00 C ATOM 974 O ARG A 61 1.041 6.010 2.367 1.00 0.00 O ATOM 975 CB ARG A 61 -0.771 6.539 4.957 1.00 0.00 C ATOM 976 CG ARG A 61 -1.819 5.851 5.816 1.00 0.00 C ATOM 977 CD ARG A 61 -2.506 6.833 6.751 1.00 0.00 C ATOM 978 NE ARG A 61 -3.913 6.500 6.957 1.00 0.00 N ATOM 979 CZ ARG A 61 -4.878 6.784 6.085 1.00 0.00 C ATOM 980 NH1 ARG A 61 -4.592 7.405 4.947 1.00 0.00 N ATOM 981 NH2 ARG A 61 -6.132 6.446 6.351 1.00 0.00 N ATOM 0 H ARG A 61 1.507 6.356 6.338 1.00 0.00 H new ATOM 0 HA ARG A 61 0.119 4.681 4.343 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.446 7.452 5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.226 6.837 4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.562 5.377 5.175 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.350 5.059 6.400 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.991 6.840 7.712 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.428 7.840 6.340 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.172 6.022 7.820 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.629 7.667 4.737 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.335 7.620 4.283 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.357 5.968 7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.871 6.664 5.683 1.00 0.00 H new ATOM 995 N LYS A 62 2.236 7.110 3.918 1.00 0.00 N ATOM 996 CA LYS A 62 3.094 7.771 2.947 1.00 0.00 C ATOM 997 C LYS A 62 4.104 6.800 2.354 1.00 0.00 C ATOM 998 O LYS A 62 4.459 6.895 1.179 1.00 0.00 O ATOM 999 CB LYS A 62 3.811 8.954 3.591 1.00 0.00 C ATOM 1000 CG LYS A 62 3.557 10.277 2.887 1.00 0.00 C ATOM 1001 CD LYS A 62 4.101 10.266 1.468 1.00 0.00 C ATOM 1002 CE LYS A 62 3.225 11.080 0.529 1.00 0.00 C ATOM 1003 NZ LYS A 62 3.451 12.543 0.687 1.00 0.00 N ATOM 0 H LYS A 62 2.442 7.343 4.890 1.00 0.00 H new ATOM 0 HA LYS A 62 2.464 8.138 2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.493 9.038 4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.883 8.757 3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.486 10.479 2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.023 11.085 3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.114 10.668 1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.164 9.239 1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.430 10.790 -0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.177 10.852 0.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.835 13.062 0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.231 12.825 1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.445 12.765 0.479 1.00 0.00 H new ATOM 1017 N GLN A 63 4.558 5.867 3.173 1.00 0.00 N ATOM 1018 CA GLN A 63 5.524 4.875 2.732 1.00 0.00 C ATOM 1019 C GLN A 63 4.846 3.797 1.901 1.00 0.00 C ATOM 1020 O GLN A 63 5.456 3.209 1.008 1.00 0.00 O ATOM 1021 CB GLN A 63 6.239 4.253 3.930 1.00 0.00 C ATOM 1022 CG GLN A 63 7.739 4.498 3.936 1.00 0.00 C ATOM 1023 CD GLN A 63 8.147 5.593 4.901 1.00 0.00 C ATOM 1024 OE1 GLN A 63 7.367 6.499 5.196 1.00 0.00 O ATOM 1025 NE2 GLN A 63 9.376 5.516 5.399 1.00 0.00 N ATOM 0 H GLN A 63 4.273 5.775 4.148 1.00 0.00 H new ATOM 0 HA GLN A 63 6.265 5.375 2.108 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.810 4.655 4.848 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.054 3.179 3.935 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.253 3.574 4.202 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.064 4.765 2.930 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.989 4.748 5.127 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.706 6.225 6.053 1.00 0.00 H new ATOM 1034 N VAL A 64 3.579 3.549 2.195 1.00 0.00 N ATOM 1035 CA VAL A 64 2.813 2.551 1.472 1.00 0.00 C ATOM 1036 C VAL A 64 2.305 3.106 0.148 1.00 0.00 C ATOM 1037 O VAL A 64 1.960 2.349 -0.757 1.00 0.00 O ATOM 1038 CB VAL A 64 1.617 2.041 2.295 1.00 0.00 C ATOM 1039 CG1 VAL A 64 0.943 0.874 1.589 1.00 0.00 C ATOM 1040 CG2 VAL A 64 2.064 1.643 3.691 1.00 0.00 C ATOM 0 H VAL A 64 3.060 4.027 2.931 1.00 0.00 H new ATOM 0 HA VAL A 64 3.488 1.716 1.282 1.00 0.00 H new ATOM 0 HB VAL A 64 0.890 2.848 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.099 0.526 2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.587 1.197 0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.659 0.062 1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.206 1.285 4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.810 0.851 3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.497 2.507 4.194 1.00 0.00 H new ATOM 1050 N SER A 65 2.271 4.430 0.034 1.00 0.00 N ATOM 1051 CA SER A 65 1.817 5.072 -1.185 1.00 0.00 C ATOM 1052 C SER A 65 2.955 5.149 -2.185 1.00 0.00 C ATOM 1053 O SER A 65 2.749 5.076 -3.396 1.00 0.00 O ATOM 1054 CB SER A 65 1.274 6.472 -0.889 1.00 0.00 C ATOM 1055 OG SER A 65 1.978 7.075 0.183 1.00 0.00 O ATOM 0 H SER A 65 2.553 5.075 0.772 1.00 0.00 H new ATOM 0 HA SER A 65 1.010 4.476 -1.612 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.359 7.094 -1.780 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.214 6.410 -0.643 1.00 0.00 H new ATOM 0 HG SER A 65 1.647 6.718 1.034 1.00 0.00 H new ATOM 1061 N SER A 66 4.161 5.281 -1.657 1.00 0.00 N ATOM 1062 CA SER A 66 5.354 5.353 -2.477 1.00 0.00 C ATOM 1063 C SER A 66 5.660 3.996 -3.088 1.00 0.00 C ATOM 1064 O SER A 66 6.146 3.899 -4.215 1.00 0.00 O ATOM 1065 CB SER A 66 6.528 5.823 -1.633 1.00 0.00 C ATOM 1066 OG SER A 66 7.310 6.781 -2.326 1.00 0.00 O ATOM 0 H SER A 66 4.338 5.341 -0.654 1.00 0.00 H new ATOM 0 HA SER A 66 5.185 6.065 -3.285 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.160 6.255 -0.703 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.150 4.969 -1.364 1.00 0.00 H new ATOM 0 HG SER A 66 8.056 7.066 -1.759 1.00 0.00 H new ATOM 1072 N HIS A 67 5.370 2.954 -2.328 1.00 0.00 N ATOM 1073 CA HIS A 67 5.607 1.589 -2.774 1.00 0.00 C ATOM 1074 C HIS A 67 4.670 1.212 -3.912 1.00 0.00 C ATOM 1075 O HIS A 67 5.050 0.483 -4.828 1.00 0.00 O ATOM 1076 CB HIS A 67 5.442 0.609 -1.611 1.00 0.00 C ATOM 1077 CG HIS A 67 6.125 -0.704 -1.837 1.00 0.00 C ATOM 1078 ND1 HIS A 67 6.058 -1.569 -2.877 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 7.000 -1.265 -0.930 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 6.886 -2.624 -2.582 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 7.442 -2.416 -1.403 1.00 0.00 N flip ATOM 0 H HIS A 67 4.968 3.027 -1.394 1.00 0.00 H new ATOM 0 HA HIS A 67 6.631 1.532 -3.142 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.838 1.064 -0.703 1.00 0.00 H new ATOM 0 HB3 HIS A 67 4.380 0.433 -1.442 1.00 0.00 H new ATOM 0 HD1 HIS A 67 5.497 -1.458 -3.722 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.280 -0.831 0.018 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.055 -3.484 -3.212 1.00 0.00 H new ATOM 1090 N ILE A 68 3.446 1.714 -3.850 1.00 0.00 N ATOM 1091 CA ILE A 68 2.457 1.432 -4.879 1.00 0.00 C ATOM 1092 C ILE A 68 2.792 2.170 -6.167 1.00 0.00 C ATOM 1093 O ILE A 68 2.508 1.691 -7.264 1.00 0.00 O ATOM 1094 CB ILE A 68 1.033 1.813 -4.429 1.00 0.00 C ATOM 1095 CG1 ILE A 68 0.714 1.175 -3.077 1.00 0.00 C ATOM 1096 CG2 ILE A 68 0.010 1.384 -5.472 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -0.268 1.976 -2.251 1.00 0.00 C ATOM 0 H ILE A 68 3.114 2.318 -3.098 1.00 0.00 H new ATOM 0 HA ILE A 68 2.485 0.357 -5.057 1.00 0.00 H new ATOM 0 HB ILE A 68 0.983 2.897 -4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.309 0.176 -3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.639 1.055 -2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.989 1.661 -5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.226 1.879 -6.419 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.060 0.304 -5.608 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.449 1.466 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.143 2.966 -2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.207 2.074 -2.796 1.00 0.00 H new ATOM 1109 N GLN A 69 3.406 3.335 -6.022 1.00 0.00 N ATOM 1110 CA GLN A 69 3.793 4.140 -7.169 1.00 0.00 C ATOM 1111 C GLN A 69 4.990 3.521 -7.879 1.00 0.00 C ATOM 1112 O GLN A 69 5.179 3.706 -9.081 1.00 0.00 O ATOM 1113 CB GLN A 69 4.118 5.570 -6.733 1.00 0.00 C ATOM 1114 CG GLN A 69 2.911 6.337 -6.218 1.00 0.00 C ATOM 1115 CD GLN A 69 2.816 7.735 -6.798 1.00 0.00 C ATOM 1116 OE1 GLN A 69 3.353 8.012 -7.870 1.00 0.00 O ATOM 1117 NE2 GLN A 69 2.129 8.624 -6.090 1.00 0.00 N ATOM 0 H GLN A 69 3.647 3.744 -5.119 1.00 0.00 H new ATOM 0 HA GLN A 69 2.955 4.169 -7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.879 5.539 -5.953 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.548 6.110 -7.577 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.003 5.784 -6.461 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.963 6.402 -5.131 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.700 8.350 -5.206 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.030 9.580 -6.430 1.00 0.00 H new ATOM 1126 N VAL A 70 5.790 2.778 -7.124 1.00 0.00 N ATOM 1127 CA VAL A 70 6.964 2.119 -7.671 1.00 0.00 C ATOM 1128 C VAL A 70 6.570 0.924 -8.527 1.00 0.00 C ATOM 1129 O VAL A 70 7.256 0.581 -9.490 1.00 0.00 O ATOM 1130 CB VAL A 70 7.914 1.656 -6.560 1.00 0.00 C ATOM 1131 CG1 VAL A 70 9.183 1.056 -7.146 1.00 0.00 C ATOM 1132 CG2 VAL A 70 8.240 2.806 -5.617 1.00 0.00 C ATOM 0 H VAL A 70 5.644 2.618 -6.127 1.00 0.00 H new ATOM 0 HA VAL A 70 7.480 2.851 -8.293 1.00 0.00 H new ATOM 0 HB VAL A 70 7.411 0.879 -5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.841 0.735 -6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.926 0.198 -7.767 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.693 1.804 -7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.915 2.456 -4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.718 3.611 -6.176 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.321 3.176 -5.163 1.00 0.00 H new ATOM 1142 N LEU A 71 5.457 0.301 -8.170 1.00 0.00 N ATOM 1143 CA LEU A 71 4.959 -0.853 -8.902 1.00 0.00 C ATOM 1144 C LEU A 71 4.405 -0.433 -10.258 1.00 0.00 C ATOM 1145 O LEU A 71 4.405 -1.212 -11.211 1.00 0.00 O ATOM 1146 CB LEU A 71 3.884 -1.575 -8.092 1.00 0.00 C ATOM 1147 CG LEU A 71 4.224 -3.016 -7.707 1.00 0.00 C ATOM 1148 CD1 LEU A 71 5.049 -3.047 -6.430 1.00 0.00 C ATOM 1149 CD2 LEU A 71 2.953 -3.836 -7.543 1.00 0.00 C ATOM 0 H LEU A 71 4.880 0.577 -7.375 1.00 0.00 H new ATOM 0 HA LEU A 71 5.791 -1.537 -9.067 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.693 -1.007 -7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.958 -1.577 -8.666 1.00 0.00 H new ATOM 0 HG LEU A 71 4.817 -3.457 -8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.281 -4.080 -6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.976 -2.494 -6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.482 -2.589 -5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.213 -4.859 -7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.335 -3.396 -6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.400 -3.841 -8.482 1.00 0.00 H new ATOM 1161 N ALA A 72 3.936 0.806 -10.335 1.00 0.00 N ATOM 1162 CA ALA A 72 3.381 1.338 -11.569 1.00 0.00 C ATOM 1163 C ALA A 72 4.479 1.628 -12.584 1.00 0.00 C ATOM 1164 O ALA A 72 4.253 1.578 -13.793 1.00 0.00 O ATOM 1165 CB ALA A 72 2.571 2.594 -11.288 1.00 0.00 C ATOM 0 H ALA A 72 3.930 1.462 -9.554 1.00 0.00 H new ATOM 0 HA ALA A 72 2.720 0.583 -11.995 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.162 2.980 -12.222 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.755 2.356 -10.606 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.214 3.348 -10.835 1.00 0.00 H new ATOM 1171 N ARG A 73 5.669 1.932 -12.082 1.00 0.00 N ATOM 1172 CA ARG A 73 6.806 2.231 -12.939 1.00 0.00 C ATOM 1173 C ARG A 73 7.362 0.961 -13.567 1.00 0.00 C ATOM 1174 O ARG A 73 7.890 0.983 -14.679 1.00 0.00 O ATOM 1175 CB ARG A 73 7.900 2.947 -12.144 1.00 0.00 C ATOM 1176 CG ARG A 73 7.556 4.386 -11.796 1.00 0.00 C ATOM 1177 CD ARG A 73 8.789 5.163 -11.363 1.00 0.00 C ATOM 1178 NE ARG A 73 8.951 5.167 -9.911 1.00 0.00 N ATOM 1179 CZ ARG A 73 9.763 5.995 -9.258 1.00 0.00 C ATOM 1180 NH1 ARG A 73 10.488 6.886 -9.923 1.00 0.00 N ATOM 1181 NH2 ARG A 73 9.851 5.932 -7.937 1.00 0.00 N ATOM 0 H ARG A 73 5.871 1.978 -11.083 1.00 0.00 H new ATOM 0 HA ARG A 73 6.463 2.888 -13.738 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.089 2.395 -11.224 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.825 2.932 -12.720 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.103 4.872 -12.660 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.815 4.401 -10.996 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.674 4.726 -11.825 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.716 6.189 -11.723 1.00 0.00 H new ATOM 0 HE ARG A 73 8.410 4.496 -9.366 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.424 6.939 -10.940 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.109 7.518 -9.417 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.296 5.249 -7.421 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.473 6.567 -7.436 1.00 0.00 H new ATOM 1195 N ARG A 74 7.237 -0.144 -12.847 1.00 0.00 N ATOM 1196 CA ARG A 74 7.722 -1.429 -13.325 1.00 0.00 C ATOM 1197 C ARG A 74 6.783 -2.006 -14.377 1.00 0.00 C ATOM 1198 O ARG A 74 7.203 -2.755 -15.259 1.00 0.00 O ATOM 1199 CB ARG A 74 7.872 -2.410 -12.161 1.00 0.00 C ATOM 1200 CG ARG A 74 9.107 -3.290 -12.262 1.00 0.00 C ATOM 1201 CD ARG A 74 8.774 -4.651 -12.852 1.00 0.00 C ATOM 1202 NE ARG A 74 9.549 -5.722 -12.230 1.00 0.00 N ATOM 1203 CZ ARG A 74 9.719 -6.926 -12.773 1.00 0.00 C ATOM 1204 NH1 ARG A 74 9.171 -7.216 -13.946 1.00 0.00 N ATOM 1205 NH2 ARG A 74 10.440 -7.842 -12.140 1.00 0.00 N ATOM 0 H ARG A 74 6.802 -0.176 -11.925 1.00 0.00 H new ATOM 0 HA ARG A 74 8.699 -1.273 -13.783 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.911 -1.849 -11.227 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.987 -3.044 -12.115 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.857 -2.797 -12.881 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.545 -3.419 -11.272 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.710 -4.851 -12.723 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.969 -4.639 -13.924 1.00 0.00 H new ATOM 0 HE ARG A 74 9.985 -5.537 -11.327 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.616 -6.515 -14.437 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.305 -8.140 -14.357 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.864 -7.624 -11.238 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.571 -8.764 -12.555 1.00 0.00 H new ATOM 1219 N LYS A 75 5.511 -1.649 -14.275 1.00 0.00 N ATOM 1220 CA LYS A 75 4.503 -2.123 -15.210 1.00 0.00 C ATOM 1221 C LYS A 75 4.522 -1.312 -16.502 1.00 0.00 C ATOM 1222 O LYS A 75 4.051 -1.772 -17.542 1.00 0.00 O ATOM 1223 CB LYS A 75 3.114 -2.058 -14.573 1.00 0.00 C ATOM 1224 CG LYS A 75 2.887 -3.110 -13.500 1.00 0.00 C ATOM 1225 CD LYS A 75 1.444 -3.586 -13.482 1.00 0.00 C ATOM 1226 CE LYS A 75 1.345 -5.051 -13.092 1.00 0.00 C ATOM 1227 NZ LYS A 75 0.230 -5.741 -13.798 1.00 0.00 N ATOM 0 H LYS A 75 5.152 -1.029 -13.549 1.00 0.00 H new ATOM 0 HA LYS A 75 4.736 -3.159 -15.455 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.969 -1.069 -14.137 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.360 -2.177 -15.352 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.549 -3.958 -13.675 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.148 -2.699 -12.525 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.869 -2.982 -12.780 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.999 -3.440 -14.466 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.285 -5.552 -13.322 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.197 -5.130 -12.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.197 -6.738 -13.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.671 -5.280 -13.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.384 -5.688 -14.825 1.00 0.00 H new ATOM 1241 N SER A 76 5.068 -0.102 -16.430 1.00 0.00 N ATOM 1242 CA SER A 76 5.146 0.771 -17.596 1.00 0.00 C ATOM 1243 C SER A 76 5.964 0.131 -18.712 1.00 0.00 C ATOM 1244 O SER A 76 5.850 0.516 -19.876 1.00 0.00 O ATOM 1245 CB SER A 76 5.752 2.122 -17.211 1.00 0.00 C ATOM 1246 OG SER A 76 4.747 3.034 -16.803 1.00 0.00 O ATOM 0 H SER A 76 5.462 0.296 -15.578 1.00 0.00 H new ATOM 0 HA SER A 76 4.132 0.927 -17.964 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.472 1.985 -16.404 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.299 2.534 -18.059 1.00 0.00 H new ATOM 0 HG SER A 76 5.160 3.889 -16.561 1.00 0.00 H new ATOM 1252 N ARG A 77 6.785 -0.850 -18.354 1.00 0.00 N ATOM 1253 CA ARG A 77 7.613 -1.544 -19.332 1.00 0.00 C ATOM 1254 C ARG A 77 6.753 -2.267 -20.366 1.00 0.00 C ATOM 1255 O ARG A 77 7.241 -2.658 -21.427 1.00 0.00 O ATOM 1256 CB ARG A 77 8.536 -2.543 -18.631 1.00 0.00 C ATOM 1257 CG ARG A 77 9.374 -1.925 -17.524 1.00 0.00 C ATOM 1258 CD ARG A 77 10.378 -0.927 -18.076 1.00 0.00 C ATOM 1259 NE ARG A 77 11.708 -1.513 -18.224 1.00 0.00 N ATOM 1260 CZ ARG A 77 12.765 -0.848 -18.685 1.00 0.00 C ATOM 1261 NH1 ARG A 77 12.651 0.425 -19.044 1.00 0.00 N ATOM 1262 NH2 ARG A 77 13.938 -1.456 -18.788 1.00 0.00 N ATOM 0 H ARG A 77 6.895 -1.182 -17.396 1.00 0.00 H new ATOM 0 HA ARG A 77 8.218 -0.799 -19.850 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.934 -3.349 -18.212 1.00 0.00 H new ATOM 0 HB3 ARG A 77 9.200 -2.992 -19.370 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.721 -1.427 -16.807 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.901 -2.711 -16.983 1.00 0.00 H new ATOM 0 HD2 ARG A 77 10.033 -0.563 -19.044 1.00 0.00 H new ATOM 0 HD3 ARG A 77 10.434 -0.064 -17.412 1.00 0.00 H new ATOM 0 HE ARG A 77 11.834 -2.490 -17.958 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.751 0.898 -18.967 1.00 0.00 H new ATOM 0 HH12 ARG A 77 13.464 0.930 -19.397 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.031 -2.434 -18.514 1.00 0.00 H new ATOM 0 HH22 ARG A 77 14.748 -0.946 -19.141 1.00 0.00 H new ATOM 1276 N ASP A 78 5.471 -2.443 -20.054 1.00 0.00 N ATOM 1277 CA ASP A 78 4.551 -3.119 -20.959 1.00 0.00 C ATOM 1278 C ASP A 78 4.305 -2.293 -22.218 1.00 0.00 C ATOM 1279 O ASP A 78 3.890 -2.823 -23.248 1.00 0.00 O ATOM 1280 CB ASP A 78 3.227 -3.405 -20.252 1.00 0.00 C ATOM 1281 CG ASP A 78 2.935 -4.889 -20.148 1.00 0.00 C ATOM 1282 OD1 ASP A 78 3.433 -5.527 -19.196 1.00 0.00 O ATOM 1283 OD2 ASP A 78 2.209 -5.414 -21.018 1.00 0.00 O ATOM 0 H ASP A 78 5.048 -2.126 -19.181 1.00 0.00 H new ATOM 0 HA ASP A 78 5.008 -4.063 -21.257 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.251 -2.972 -19.252 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.417 -2.915 -20.792 1.00 0.00 H new