USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 530 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 32 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 GLN :FLIP amide:sc= 0.186 F(o=-0.34,f=0.41) USER MOD Set 2.2: A 29 THR OG1 : rot -50:sc= 0.224 USER MOD Single : A 14 HIS : no HD1:sc= -0.675 X(o=-0.68,f=-0.5) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0059 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -77:sc= 1.14 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= -0.478 (180deg=-0.532) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.14) USER MOD Single : A 64 TYR OH : rot 171:sc= -0.152 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -109:sc= 0.434 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N LEU A 13 7.829 -0.230 5.856 1.00 0.00 N ATOM 143 CA LEU A 13 6.609 0.517 6.141 1.00 0.00 C ATOM 144 C LEU A 13 5.749 -0.216 7.164 1.00 0.00 C ATOM 145 O LEU A 13 5.567 -1.431 7.080 1.00 0.00 O ATOM 146 CB LEU A 13 5.812 0.745 4.854 1.00 0.00 C ATOM 147 CG LEU A 13 6.609 1.346 3.696 1.00 0.00 C ATOM 148 CD1 LEU A 13 5.912 1.077 2.372 1.00 0.00 C ATOM 149 CD2 LEU A 13 6.804 2.841 3.904 1.00 0.00 C ATOM 0 HA LEU A 13 6.893 1.483 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.393 -0.208 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.972 1.403 5.077 1.00 0.00 H new ATOM 0 HG LEU A 13 7.590 0.871 3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.494 1.512 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.824 0.001 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.918 1.524 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.373 3.253 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.832 3.331 3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.347 3.011 4.834 1.00 0.00 H new ATOM 161 N HIS A 14 5.222 0.529 8.131 1.00 0.00 N ATOM 162 CA HIS A 14 4.382 -0.052 9.172 1.00 0.00 C ATOM 163 C HIS A 14 3.111 0.771 9.368 1.00 0.00 C ATOM 164 O HIS A 14 2.737 1.093 10.496 1.00 0.00 O ATOM 165 CB HIS A 14 5.157 -0.143 10.487 1.00 0.00 C ATOM 166 CG HIS A 14 4.427 -0.888 11.562 1.00 0.00 C ATOM 167 ND1 HIS A 14 4.786 -0.866 12.892 1.00 0.00 N ATOM 168 CD2 HIS A 14 3.336 -1.691 11.482 1.00 0.00 C ATOM 169 CE1 HIS A 14 3.922 -1.638 13.563 1.00 0.00 C ATOM 170 NE2 HIS A 14 3.021 -2.162 12.755 1.00 0.00 N ATOM 0 H HIS A 14 5.362 1.536 8.215 1.00 0.00 H new ATOM 0 HA HIS A 14 4.096 -1.056 8.858 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.113 -0.632 10.302 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.377 0.864 10.840 1.00 0.00 H new ATOM 0 HD2 HIS A 14 2.798 -1.927 10.576 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.958 -1.810 14.629 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.253 -2.783 13.009 1.00 0.00 H new ATOM 178 N GLU A 15 2.453 1.106 8.264 1.00 0.00 N ATOM 179 CA GLU A 15 1.225 1.891 8.313 1.00 0.00 C ATOM 180 C GLU A 15 1.475 3.258 8.943 1.00 0.00 C ATOM 181 O GLU A 15 1.791 3.358 10.129 1.00 0.00 O ATOM 182 CB GLU A 15 0.147 1.142 9.101 1.00 0.00 C ATOM 183 CG GLU A 15 -0.527 0.036 8.307 1.00 0.00 C ATOM 184 CD GLU A 15 0.061 -1.331 8.596 1.00 0.00 C ATOM 185 OE1 GLU A 15 -0.168 -1.853 9.707 1.00 0.00 O ATOM 186 OE2 GLU A 15 0.753 -1.878 7.712 1.00 0.00 O ATOM 0 H GLU A 15 2.750 0.846 7.323 1.00 0.00 H new ATOM 0 HA GLU A 15 0.880 2.042 7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.595 0.713 9.997 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.610 1.853 9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.592 0.025 8.538 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.434 0.250 7.242 1.00 0.00 H new ATOM 193 N GLY A 16 1.332 4.308 8.141 1.00 0.00 N ATOM 194 CA GLY A 16 1.546 5.655 8.637 1.00 0.00 C ATOM 195 C GLY A 16 2.743 6.326 7.993 1.00 0.00 C ATOM 196 O GLY A 16 3.504 7.026 8.661 1.00 0.00 O ATOM 0 H GLY A 16 1.072 4.250 7.156 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.654 6.253 8.451 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.689 5.623 9.717 1.00 0.00 H new ATOM 200 N SER A 17 2.910 6.112 6.693 1.00 0.00 N ATOM 201 CA SER A 17 4.024 6.700 5.958 1.00 0.00 C ATOM 202 C SER A 17 3.566 7.215 4.597 1.00 0.00 C ATOM 203 O SER A 17 2.446 6.942 4.164 1.00 0.00 O ATOM 204 CB SER A 17 5.143 5.674 5.778 1.00 0.00 C ATOM 205 OG SER A 17 6.009 5.660 6.900 1.00 0.00 O ATOM 0 H SER A 17 2.288 5.536 6.126 1.00 0.00 H new ATOM 0 HA SER A 17 4.404 7.542 6.536 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.712 4.683 5.635 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.713 5.907 4.878 1.00 0.00 H new ATOM 0 HG SER A 17 6.715 4.994 6.760 1.00 0.00 H new ATOM 211 N GLN A 18 4.437 7.961 3.928 1.00 0.00 N ATOM 212 CA GLN A 18 4.122 8.514 2.616 1.00 0.00 C ATOM 213 C GLN A 18 4.860 7.760 1.514 1.00 0.00 C ATOM 214 O GLN A 18 6.040 7.435 1.654 1.00 0.00 O ATOM 215 CB GLN A 18 4.487 10.000 2.565 1.00 0.00 C ATOM 216 CG GLN A 18 3.512 10.891 3.317 1.00 0.00 C ATOM 217 CD GLN A 18 2.219 11.112 2.557 1.00 0.00 C ATOM 218 OE1 GLN A 18 1.275 10.190 2.713 1.00 0.00 O flip ATOM 219 NE2 GLN A 18 2.069 12.101 1.839 1.00 0.00 N flip ATOM 0 H GLN A 18 5.368 8.197 4.273 1.00 0.00 H new ATOM 0 HA GLN A 18 3.050 8.403 2.451 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.485 10.135 2.981 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.530 10.320 1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.288 10.443 4.285 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.983 11.854 3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.821 12.784 1.748 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.193 12.237 1.335 1.00 0.00 H new ATOM 228 N VAL A 19 4.158 7.483 0.421 1.00 0.00 N ATOM 229 CA VAL A 19 4.746 6.767 -0.704 1.00 0.00 C ATOM 230 C VAL A 19 4.208 7.289 -2.031 1.00 0.00 C ATOM 231 O VAL A 19 3.066 7.743 -2.114 1.00 0.00 O ATOM 232 CB VAL A 19 4.471 5.254 -0.613 1.00 0.00 C ATOM 233 CG1 VAL A 19 5.237 4.640 0.548 1.00 0.00 C ATOM 234 CG2 VAL A 19 2.979 4.990 -0.477 1.00 0.00 C ATOM 0 H VAL A 19 3.181 7.744 0.290 1.00 0.00 H new ATOM 0 HA VAL A 19 5.822 6.938 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 19 4.817 4.785 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.030 3.571 0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.306 4.796 0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.925 5.112 1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.804 3.916 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.605 5.472 0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.458 5.392 -1.346 1.00 0.00 H new ATOM 244 N LEU A 20 5.036 7.223 -3.067 1.00 0.00 N ATOM 245 CA LEU A 20 4.644 7.690 -4.393 1.00 0.00 C ATOM 246 C LEU A 20 4.612 6.534 -5.388 1.00 0.00 C ATOM 247 O LEU A 20 5.449 5.634 -5.336 1.00 0.00 O ATOM 248 CB LEU A 20 5.607 8.773 -4.882 1.00 0.00 C ATOM 249 CG LEU A 20 5.328 9.298 -6.291 1.00 0.00 C ATOM 250 CD1 LEU A 20 4.304 10.422 -6.248 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.615 9.774 -6.946 1.00 0.00 C ATOM 0 H LEU A 20 5.984 6.850 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 20 3.642 8.112 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.572 9.610 -4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.622 8.376 -4.853 1.00 0.00 H new ATOM 0 HG LEU A 20 4.919 8.483 -6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.118 10.783 -7.259 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.374 10.050 -5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.686 11.239 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.398 10.144 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.052 10.575 -6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.319 8.944 -7.010 1.00 0.00 H new ATOM 263 N LEU A 21 3.641 6.569 -6.295 1.00 0.00 N ATOM 264 CA LEU A 21 3.501 5.525 -7.304 1.00 0.00 C ATOM 265 C LEU A 21 4.453 5.768 -8.470 1.00 0.00 C ATOM 266 O LEU A 21 4.743 6.911 -8.820 1.00 0.00 O ATOM 267 CB LEU A 21 2.058 5.468 -7.811 1.00 0.00 C ATOM 268 CG LEU A 21 1.022 5.041 -6.769 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.371 5.027 -7.378 1.00 0.00 C ATOM 270 CD2 LEU A 21 1.373 3.673 -6.200 1.00 0.00 C ATOM 0 H LEU A 21 2.940 7.308 -6.352 1.00 0.00 H new ATOM 0 HA LEU A 21 3.755 4.570 -6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.784 6.452 -8.192 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.012 4.776 -8.652 1.00 0.00 H new ATOM 0 HG LEU A 21 1.032 5.765 -5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.095 4.721 -6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.621 6.025 -7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.397 4.325 -8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.626 3.384 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.390 2.938 -7.005 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.354 3.716 -5.727 1.00 0.00 H new ATOM 282 N THR A 22 4.937 4.684 -9.067 1.00 0.00 N ATOM 283 CA THR A 22 5.857 4.779 -10.194 1.00 0.00 C ATOM 284 C THR A 22 5.101 4.969 -11.505 1.00 0.00 C ATOM 285 O THR A 22 5.643 5.503 -12.473 1.00 0.00 O ATOM 286 CB THR A 22 6.730 3.525 -10.273 1.00 0.00 C ATOM 287 OG1 THR A 22 5.931 2.355 -10.250 1.00 0.00 O ATOM 288 CG2 THR A 22 7.730 3.420 -9.142 1.00 0.00 C ATOM 0 H THR A 22 4.707 3.730 -8.789 1.00 0.00 H new ATOM 0 HA THR A 22 6.494 5.649 -10.036 1.00 0.00 H new ATOM 0 HB THR A 22 7.276 3.612 -11.212 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.507 1.564 -10.303 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.316 2.509 -9.258 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.394 4.284 -9.162 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.201 3.392 -8.190 1.00 0.00 H new ATOM 296 N SER A 23 3.847 4.530 -11.533 1.00 0.00 N ATOM 297 CA SER A 23 3.020 4.653 -12.727 1.00 0.00 C ATOM 298 C SER A 23 2.197 5.937 -12.690 1.00 0.00 C ATOM 299 O SER A 23 2.489 6.894 -13.408 1.00 0.00 O ATOM 300 CB SER A 23 2.092 3.444 -12.858 1.00 0.00 C ATOM 301 OG SER A 23 2.713 2.401 -13.589 1.00 0.00 O ATOM 0 H SER A 23 3.381 4.086 -10.742 1.00 0.00 H new ATOM 0 HA SER A 23 3.681 4.691 -13.593 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.817 3.084 -11.867 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.169 3.742 -13.356 1.00 0.00 H new ATOM 0 HG SER A 23 2.100 1.639 -13.657 1.00 0.00 H new ATOM 307 N SER A 24 1.168 5.950 -11.850 1.00 0.00 N ATOM 308 CA SER A 24 0.301 7.116 -11.719 1.00 0.00 C ATOM 309 C SER A 24 1.101 8.352 -11.316 1.00 0.00 C ATOM 310 O SER A 24 0.708 9.481 -11.612 1.00 0.00 O ATOM 311 CB SER A 24 -0.796 6.848 -10.686 1.00 0.00 C ATOM 312 OG SER A 24 -1.936 6.264 -11.293 1.00 0.00 O ATOM 0 H SER A 24 0.913 5.166 -11.249 1.00 0.00 H new ATOM 0 HA SER A 24 -0.158 7.304 -12.690 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.414 6.186 -9.909 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.077 7.782 -10.199 1.00 0.00 H new ATOM 0 HG SER A 24 -2.622 6.101 -10.612 1.00 0.00 H new ATOM 318 N ASN A 25 2.226 8.133 -10.640 1.00 0.00 N ATOM 319 CA ASN A 25 3.080 9.229 -10.199 1.00 0.00 C ATOM 320 C ASN A 25 2.350 10.111 -9.189 1.00 0.00 C ATOM 321 O ASN A 25 2.497 11.334 -9.198 1.00 0.00 O ATOM 322 CB ASN A 25 3.533 10.067 -11.399 1.00 0.00 C ATOM 323 CG ASN A 25 5.041 10.219 -11.459 1.00 0.00 C ATOM 324 OD1 ASN A 25 5.723 9.484 -12.172 1.00 0.00 O ATOM 325 ND2 ASN A 25 5.570 11.178 -10.707 1.00 0.00 N ATOM 0 H ASN A 25 2.566 7.206 -10.386 1.00 0.00 H new ATOM 0 HA ASN A 25 3.958 8.803 -9.714 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.180 9.601 -12.319 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.073 11.053 -11.345 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.579 11.327 -10.706 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.967 11.765 -10.130 1.00 0.00 H new ATOM 332 N GLU A 26 1.565 9.483 -8.321 1.00 0.00 N ATOM 333 CA GLU A 26 0.813 10.209 -7.304 1.00 0.00 C ATOM 334 C GLU A 26 1.145 9.689 -5.908 1.00 0.00 C ATOM 335 O GLU A 26 1.350 8.491 -5.713 1.00 0.00 O ATOM 336 CB GLU A 26 -0.690 10.084 -7.566 1.00 0.00 C ATOM 337 CG GLU A 26 -1.306 11.331 -8.178 1.00 0.00 C ATOM 338 CD GLU A 26 -1.909 12.254 -7.136 1.00 0.00 C ATOM 339 OE1 GLU A 26 -2.676 11.762 -6.280 1.00 0.00 O ATOM 340 OE2 GLU A 26 -1.615 13.467 -7.175 1.00 0.00 O ATOM 0 H GLU A 26 1.433 8.472 -8.301 1.00 0.00 H new ATOM 0 HA GLU A 26 1.097 11.260 -7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.865 9.238 -8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.197 9.862 -6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.543 11.871 -8.739 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.078 11.039 -8.890 1.00 0.00 H new ATOM 347 N MET A 27 1.197 10.599 -4.941 1.00 0.00 N ATOM 348 CA MET A 27 1.504 10.232 -3.563 1.00 0.00 C ATOM 349 C MET A 27 0.303 9.571 -2.895 1.00 0.00 C ATOM 350 O MET A 27 -0.845 9.879 -3.214 1.00 0.00 O ATOM 351 CB MET A 27 1.928 11.470 -2.768 1.00 0.00 C ATOM 352 CG MET A 27 3.108 12.208 -3.375 1.00 0.00 C ATOM 353 SD MET A 27 3.995 13.212 -2.168 1.00 0.00 S ATOM 354 CE MET A 27 5.290 12.079 -1.674 1.00 0.00 C ATOM 0 H MET A 27 1.031 11.595 -5.086 1.00 0.00 H new ATOM 0 HA MET A 27 2.327 9.517 -3.577 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.081 12.153 -2.696 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.182 11.169 -1.752 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.795 11.486 -3.816 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.755 12.847 -4.184 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.925 12.556 -0.928 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.844 11.179 -1.250 1.00 0.00 H new ATOM 0 HE3 MET A 27 5.890 11.811 -2.544 1.00 0.00 H new ATOM 364 N ALA A 28 0.576 8.660 -1.966 1.00 0.00 N ATOM 365 CA ALA A 28 -0.482 7.954 -1.254 1.00 0.00 C ATOM 366 C ALA A 28 -0.053 7.615 0.170 1.00 0.00 C ATOM 367 O ALA A 28 1.121 7.353 0.430 1.00 0.00 O ATOM 368 CB ALA A 28 -0.871 6.690 -2.005 1.00 0.00 C ATOM 0 H ALA A 28 1.521 8.394 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.350 8.611 -1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.662 6.173 -1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.227 6.954 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.003 6.036 -2.091 1.00 0.00 H new ATOM 374 N THR A 29 -1.014 7.622 1.089 1.00 0.00 N ATOM 375 CA THR A 29 -0.736 7.316 2.487 1.00 0.00 C ATOM 376 C THR A 29 -0.893 5.825 2.760 1.00 0.00 C ATOM 377 O THR A 29 -1.839 5.194 2.288 1.00 0.00 O ATOM 378 CB THR A 29 -1.666 8.115 3.401 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.739 9.467 2.984 1.00 0.00 O ATOM 380 CG2 THR A 29 -1.233 8.105 4.852 1.00 0.00 C ATOM 0 H THR A 29 -1.991 7.836 0.890 1.00 0.00 H new ATOM 0 HA THR A 29 0.296 7.598 2.695 1.00 0.00 H new ATOM 0 HB THR A 29 -2.637 7.625 3.325 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.833 9.821 2.862 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.936 8.690 5.445 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.214 7.079 5.219 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.237 8.539 4.937 1.00 0.00 H new ATOM 388 N VAL A 30 0.041 5.270 3.523 1.00 0.00 N ATOM 389 CA VAL A 30 0.008 3.854 3.858 1.00 0.00 C ATOM 390 C VAL A 30 -0.961 3.582 5.004 1.00 0.00 C ATOM 391 O VAL A 30 -0.745 4.027 6.130 1.00 0.00 O ATOM 392 CB VAL A 30 1.405 3.335 4.247 1.00 0.00 C ATOM 393 CG1 VAL A 30 1.389 1.821 4.399 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.440 3.763 3.217 1.00 0.00 C ATOM 0 H VAL A 30 0.830 5.780 3.921 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.331 3.327 2.966 1.00 0.00 H new ATOM 0 HB VAL A 30 1.680 3.771 5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.384 1.472 4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.679 1.541 5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.092 1.364 3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.421 3.387 3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.172 3.358 2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.470 4.851 3.162 1.00 0.00 H new ATOM 404 N ARG A 31 -2.029 2.851 4.707 1.00 0.00 N ATOM 405 CA ARG A 31 -3.033 2.521 5.712 1.00 0.00 C ATOM 406 C ARG A 31 -2.954 1.047 6.098 1.00 0.00 C ATOM 407 O ARG A 31 -3.264 0.674 7.230 1.00 0.00 O ATOM 408 CB ARG A 31 -4.434 2.848 5.192 1.00 0.00 C ATOM 409 CG ARG A 31 -4.680 4.338 5.006 1.00 0.00 C ATOM 410 CD ARG A 31 -4.867 5.042 6.340 1.00 0.00 C ATOM 411 NE ARG A 31 -5.911 4.414 7.148 1.00 0.00 N ATOM 412 CZ ARG A 31 -6.045 4.601 8.459 1.00 0.00 C ATOM 413 NH1 ARG A 31 -5.206 5.394 9.114 1.00 0.00 N ATOM 414 NH2 ARG A 31 -7.023 3.993 9.118 1.00 0.00 N ATOM 0 H ARG A 31 -2.222 2.475 3.779 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.832 3.122 6.599 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.587 2.341 4.239 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.173 2.450 5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.840 4.783 4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.565 4.487 4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.926 5.031 6.891 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.123 6.087 6.166 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.575 3.797 6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.453 5.865 8.613 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.315 5.533 10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.671 3.383 8.620 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.127 4.136 10.123 1.00 0.00 H new ATOM 428 N TYR A 32 -2.540 0.213 5.150 1.00 0.00 N ATOM 429 CA TYR A 32 -2.422 -1.220 5.391 1.00 0.00 C ATOM 430 C TYR A 32 -1.256 -1.811 4.606 1.00 0.00 C ATOM 431 O TYR A 32 -1.042 -1.468 3.442 1.00 0.00 O ATOM 432 CB TYR A 32 -3.722 -1.930 5.007 1.00 0.00 C ATOM 433 CG TYR A 32 -3.972 -3.201 5.787 1.00 0.00 C ATOM 434 CD1 TYR A 32 -4.409 -3.155 7.104 1.00 0.00 C ATOM 435 CD2 TYR A 32 -3.773 -4.446 5.204 1.00 0.00 C ATOM 436 CE1 TYR A 32 -4.640 -4.316 7.819 1.00 0.00 C ATOM 437 CE2 TYR A 32 -4.002 -5.610 5.912 1.00 0.00 C ATOM 438 CZ TYR A 32 -4.435 -5.540 7.219 1.00 0.00 C ATOM 439 OH TYR A 32 -4.664 -6.697 7.928 1.00 0.00 O ATOM 0 H TYR A 32 -2.281 0.505 4.208 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.233 -1.370 6.454 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.558 -1.248 5.162 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.697 -2.166 3.943 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.571 -2.198 7.577 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.434 -4.505 4.180 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.980 -4.264 8.843 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.843 -6.570 5.444 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.370 -6.541 8.590 1.00 0.00 H new ATOM 449 N VAL A 33 -0.506 -2.700 5.247 1.00 0.00 N ATOM 450 CA VAL A 33 0.638 -3.337 4.607 1.00 0.00 C ATOM 451 C VAL A 33 0.645 -4.840 4.870 1.00 0.00 C ATOM 452 O VAL A 33 0.436 -5.283 5.999 1.00 0.00 O ATOM 453 CB VAL A 33 1.968 -2.735 5.098 1.00 0.00 C ATOM 454 CG1 VAL A 33 3.133 -3.280 4.285 1.00 0.00 C ATOM 455 CG2 VAL A 33 1.923 -1.215 5.031 1.00 0.00 C ATOM 0 H VAL A 33 -0.670 -2.996 6.209 1.00 0.00 H new ATOM 0 HA VAL A 33 0.542 -3.156 3.536 1.00 0.00 H new ATOM 0 HB VAL A 33 2.116 -3.024 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.064 -2.844 4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.175 -4.364 4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.995 -3.023 3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.871 -0.807 5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.752 -0.901 4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.114 -0.847 5.662 1.00 0.00 H new ATOM 465 N GLY A 34 0.887 -5.617 3.821 1.00 0.00 N ATOM 466 CA GLY A 34 0.917 -7.062 3.957 1.00 0.00 C ATOM 467 C GLY A 34 0.250 -7.768 2.792 1.00 0.00 C ATOM 468 O GLY A 34 -0.270 -7.118 1.886 1.00 0.00 O ATOM 0 H GLY A 34 1.063 -5.272 2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.952 -7.395 4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.419 -7.347 4.884 1.00 0.00 H new ATOM 472 N PRO A 35 0.247 -9.112 2.788 1.00 0.00 N ATOM 473 CA PRO A 35 -0.369 -9.897 1.714 1.00 0.00 C ATOM 474 C PRO A 35 -1.891 -9.798 1.725 1.00 0.00 C ATOM 475 O PRO A 35 -2.479 -9.224 2.641 1.00 0.00 O ATOM 476 CB PRO A 35 0.076 -11.328 2.020 1.00 0.00 C ATOM 477 CG PRO A 35 0.330 -11.342 3.487 1.00 0.00 C ATOM 478 CD PRO A 35 0.842 -9.970 3.830 1.00 0.00 C ATOM 0 HA PRO A 35 -0.068 -9.545 0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.694 -12.049 1.745 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.974 -11.591 1.461 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.582 -11.568 4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.059 -12.108 3.750 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.531 -9.663 4.829 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.931 -9.931 3.809 1.00 0.00 H new ATOM 486 N THR A 36 -2.523 -10.362 0.700 1.00 0.00 N ATOM 487 CA THR A 36 -3.977 -10.338 0.590 1.00 0.00 C ATOM 488 C THR A 36 -4.538 -11.753 0.496 1.00 0.00 C ATOM 489 O THR A 36 -3.795 -12.716 0.305 1.00 0.00 O ATOM 490 CB THR A 36 -4.403 -9.526 -0.633 1.00 0.00 C ATOM 491 OG1 THR A 36 -3.663 -9.916 -1.776 1.00 0.00 O ATOM 492 CG2 THR A 36 -4.220 -8.034 -0.455 1.00 0.00 C ATOM 0 H THR A 36 -2.050 -10.841 -0.066 1.00 0.00 H new ATOM 0 HA THR A 36 -4.377 -9.866 1.488 1.00 0.00 H new ATOM 0 HB THR A 36 -5.466 -9.732 -0.761 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.764 -9.528 -1.732 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.541 -7.518 -1.359 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.818 -7.692 0.390 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.169 -7.816 -0.267 1.00 0.00 H new ATOM 500 N ASP A 37 -5.855 -11.871 0.630 1.00 0.00 N ATOM 501 CA ASP A 37 -6.517 -13.169 0.559 1.00 0.00 C ATOM 502 C ASP A 37 -6.794 -13.560 -0.889 1.00 0.00 C ATOM 503 O ASP A 37 -6.791 -14.741 -1.235 1.00 0.00 O ATOM 504 CB ASP A 37 -7.825 -13.140 1.355 1.00 0.00 C ATOM 505 CG ASP A 37 -7.778 -14.037 2.576 1.00 0.00 C ATOM 506 OD1 ASP A 37 -7.086 -13.676 3.551 1.00 0.00 O ATOM 507 OD2 ASP A 37 -8.434 -15.100 2.558 1.00 0.00 O ATOM 0 H ASP A 37 -6.485 -11.084 0.788 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.852 -13.915 0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.035 -12.117 1.667 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.647 -13.451 0.710 1.00 0.00 H new ATOM 512 N PHE A 38 -7.033 -12.560 -1.732 1.00 0.00 N ATOM 513 CA PHE A 38 -7.312 -12.800 -3.143 1.00 0.00 C ATOM 514 C PHE A 38 -6.019 -13.000 -3.927 1.00 0.00 C ATOM 515 O PHE A 38 -5.902 -13.930 -4.724 1.00 0.00 O ATOM 516 CB PHE A 38 -8.106 -11.634 -3.733 1.00 0.00 C ATOM 517 CG PHE A 38 -7.364 -10.329 -3.707 1.00 0.00 C ATOM 518 CD1 PHE A 38 -7.449 -9.490 -2.606 1.00 0.00 C ATOM 519 CD2 PHE A 38 -6.581 -9.939 -4.782 1.00 0.00 C ATOM 520 CE1 PHE A 38 -6.767 -8.289 -2.578 1.00 0.00 C ATOM 521 CE2 PHE A 38 -5.897 -8.739 -4.760 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.990 -7.913 -3.657 1.00 0.00 C ATOM 0 H PHE A 38 -7.039 -11.576 -1.462 1.00 0.00 H new ATOM 0 HA PHE A 38 -7.906 -13.710 -3.221 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.372 -11.871 -4.763 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.039 -11.523 -3.180 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.056 -9.779 -1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.505 -10.581 -5.647 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.841 -7.645 -1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.290 -8.447 -5.604 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.456 -6.974 -3.638 1.00 0.00 H new ATOM 532 N ALA A 39 -5.051 -12.119 -3.694 1.00 0.00 N ATOM 533 CA ALA A 39 -3.766 -12.198 -4.378 1.00 0.00 C ATOM 534 C ALA A 39 -2.650 -12.574 -3.409 1.00 0.00 C ATOM 535 O ALA A 39 -2.757 -12.343 -2.204 1.00 0.00 O ATOM 536 CB ALA A 39 -3.451 -10.876 -5.061 1.00 0.00 C ATOM 0 H ALA A 39 -5.132 -11.343 -3.037 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.832 -12.980 -5.135 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.489 -10.949 -5.568 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.229 -10.649 -5.790 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.409 -10.082 -4.315 1.00 0.00 H new ATOM 542 N SER A 40 -1.580 -13.155 -3.942 1.00 0.00 N ATOM 543 CA SER A 40 -0.444 -13.562 -3.124 1.00 0.00 C ATOM 544 C SER A 40 0.734 -12.613 -3.317 1.00 0.00 C ATOM 545 O SER A 40 0.978 -12.127 -4.422 1.00 0.00 O ATOM 546 CB SER A 40 -0.025 -14.992 -3.470 1.00 0.00 C ATOM 547 OG SER A 40 -1.118 -15.733 -3.983 1.00 0.00 O ATOM 0 H SER A 40 -1.476 -13.354 -4.937 1.00 0.00 H new ATOM 0 HA SER A 40 -0.750 -13.524 -2.078 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.781 -14.971 -4.204 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.367 -15.485 -2.580 1.00 0.00 H new ATOM 0 HG SER A 40 -0.824 -16.643 -4.198 1.00 0.00 H new ATOM 553 N GLY A 41 1.463 -12.354 -2.237 1.00 0.00 N ATOM 554 CA GLY A 41 2.607 -11.463 -2.309 1.00 0.00 C ATOM 555 C GLY A 41 2.553 -10.367 -1.264 1.00 0.00 C ATOM 556 O GLY A 41 2.325 -10.636 -0.084 1.00 0.00 O ATOM 0 H GLY A 41 1.282 -12.745 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.522 -12.040 -2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.652 -11.013 -3.301 1.00 0.00 H new ATOM 560 N ILE A 42 2.765 -9.129 -1.697 1.00 0.00 N ATOM 561 CA ILE A 42 2.738 -7.988 -0.789 1.00 0.00 C ATOM 562 C ILE A 42 1.950 -6.829 -1.387 1.00 0.00 C ATOM 563 O ILE A 42 2.228 -6.382 -2.499 1.00 0.00 O ATOM 564 CB ILE A 42 4.162 -7.504 -0.452 1.00 0.00 C ATOM 565 CG1 ILE A 42 5.043 -8.685 -0.042 1.00 0.00 C ATOM 566 CG2 ILE A 42 4.118 -6.460 0.653 1.00 0.00 C ATOM 567 CD1 ILE A 42 6.525 -8.384 -0.103 1.00 0.00 C ATOM 0 H ILE A 42 2.957 -8.890 -2.670 1.00 0.00 H new ATOM 0 HA ILE A 42 2.250 -8.324 0.126 1.00 0.00 H new ATOM 0 HB ILE A 42 4.594 -7.046 -1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.783 -8.986 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.826 -9.533 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.131 -6.128 0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.522 -5.608 0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.670 -6.895 1.547 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.088 -9.266 0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.799 -8.112 -1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.756 -7.557 0.568 1.00 0.00 H new ATOM 579 N TRP A 43 0.963 -6.345 -0.640 1.00 0.00 N ATOM 580 CA TRP A 43 0.132 -5.236 -1.096 1.00 0.00 C ATOM 581 C TRP A 43 0.016 -4.165 -0.017 1.00 0.00 C ATOM 582 O TRP A 43 -0.098 -4.473 1.169 1.00 0.00 O ATOM 583 CB TRP A 43 -1.259 -5.740 -1.484 1.00 0.00 C ATOM 584 CG TRP A 43 -1.230 -6.859 -2.479 1.00 0.00 C ATOM 585 CD1 TRP A 43 -1.230 -8.198 -2.208 1.00 0.00 C ATOM 586 CD2 TRP A 43 -1.194 -6.739 -3.906 1.00 0.00 C ATOM 587 NE1 TRP A 43 -1.198 -8.916 -3.378 1.00 0.00 N ATOM 588 CE2 TRP A 43 -1.175 -8.043 -4.435 1.00 0.00 C ATOM 589 CE3 TRP A 43 -1.178 -5.653 -4.788 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -1.141 -8.290 -5.805 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -1.144 -5.901 -6.148 1.00 0.00 C ATOM 592 CH2 TRP A 43 -1.126 -7.211 -6.645 1.00 0.00 C ATOM 0 H TRP A 43 0.719 -6.703 0.283 1.00 0.00 H new ATOM 0 HA TRP A 43 0.607 -4.794 -1.972 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.779 -6.075 -0.587 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.835 -4.912 -1.896 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.252 -8.629 -1.218 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -1.192 -9.933 -3.449 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.192 -4.640 -4.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.127 -9.299 -6.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.131 -5.071 -6.839 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.100 -7.372 -7.713 1.00 0.00 H new ATOM 603 N LEU A 44 0.043 -2.904 -0.437 1.00 0.00 N ATOM 604 CA LEU A 44 -0.061 -1.785 0.493 1.00 0.00 C ATOM 605 C LEU A 44 -1.360 -1.016 0.276 1.00 0.00 C ATOM 606 O LEU A 44 -1.506 -0.288 -0.706 1.00 0.00 O ATOM 607 CB LEU A 44 1.134 -0.844 0.331 1.00 0.00 C ATOM 608 CG LEU A 44 2.482 -1.540 0.113 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.020 -1.243 -1.279 1.00 0.00 C ATOM 610 CD2 LEU A 44 3.484 -1.111 1.175 1.00 0.00 C ATOM 0 H LEU A 44 0.136 -2.631 -1.416 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.062 -2.188 1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.944 -0.181 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.206 -0.216 1.219 1.00 0.00 H new ATOM 0 HG LEU A 44 2.329 -2.616 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.977 -1.746 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.313 -1.602 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.156 -0.168 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.435 -1.616 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.631 -0.032 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.105 -1.377 2.162 1.00 0.00 H new ATOM 622 N GLY A 45 -2.302 -1.182 1.199 1.00 0.00 N ATOM 623 CA GLY A 45 -3.577 -0.498 1.089 1.00 0.00 C ATOM 624 C GLY A 45 -3.441 1.005 1.230 1.00 0.00 C ATOM 625 O GLY A 45 -3.737 1.566 2.285 1.00 0.00 O ATOM 0 H GLY A 45 -2.205 -1.778 2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.029 -0.730 0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.254 -0.872 1.857 1.00 0.00 H new ATOM 629 N LEU A 46 -2.991 1.659 0.164 1.00 0.00 N ATOM 630 CA LEU A 46 -2.816 3.107 0.172 1.00 0.00 C ATOM 631 C LEU A 46 -4.165 3.818 0.178 1.00 0.00 C ATOM 632 O LEU A 46 -5.204 3.203 -0.063 1.00 0.00 O ATOM 633 CB LEU A 46 -1.998 3.549 -1.044 1.00 0.00 C ATOM 634 CG LEU A 46 -0.597 2.943 -1.138 1.00 0.00 C ATOM 635 CD1 LEU A 46 -0.015 3.157 -2.526 1.00 0.00 C ATOM 636 CD2 LEU A 46 0.314 3.542 -0.077 1.00 0.00 C ATOM 0 H LEU A 46 -2.741 1.209 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.279 3.378 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.550 3.290 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.907 4.635 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.673 1.870 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.982 2.719 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.657 2.680 -3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.047 4.225 -2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.307 3.100 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.384 4.620 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.095 3.336 0.912 1.00 0.00 H new ATOM 648 N GLU A 47 -4.142 5.118 0.454 1.00 0.00 N ATOM 649 CA GLU A 47 -5.363 5.914 0.491 1.00 0.00 C ATOM 650 C GLU A 47 -5.096 7.342 0.027 1.00 0.00 C ATOM 651 O GLU A 47 -4.288 8.057 0.622 1.00 0.00 O ATOM 652 CB GLU A 47 -5.947 5.925 1.905 1.00 0.00 C ATOM 653 CG GLU A 47 -7.454 6.124 1.938 1.00 0.00 C ATOM 654 CD GLU A 47 -7.845 7.574 2.144 1.00 0.00 C ATOM 655 OE1 GLU A 47 -7.146 8.277 2.903 1.00 0.00 O ATOM 656 OE2 GLU A 47 -8.851 8.008 1.543 1.00 0.00 O ATOM 0 H GLU A 47 -3.291 5.643 0.655 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.084 5.460 -0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.702 4.984 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.471 6.719 2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.885 5.764 1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.879 5.519 2.739 1.00 0.00 H new ATOM 663 N LEU A 48 -5.778 7.751 -1.036 1.00 0.00 N ATOM 664 CA LEU A 48 -5.615 9.095 -1.580 1.00 0.00 C ATOM 665 C LEU A 48 -6.683 10.036 -1.033 1.00 0.00 C ATOM 666 O LEU A 48 -7.705 9.593 -0.508 1.00 0.00 O ATOM 667 CB LEU A 48 -5.681 9.061 -3.108 1.00 0.00 C ATOM 668 CG LEU A 48 -4.797 8.004 -3.772 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.261 7.737 -5.195 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.340 8.443 -3.757 1.00 0.00 C ATOM 0 H LEU A 48 -6.450 7.171 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.637 9.468 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.715 8.888 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.398 10.042 -3.490 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.883 7.077 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.620 6.982 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.290 7.378 -5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.206 8.658 -5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.725 7.679 -4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.237 9.382 -4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.012 8.582 -2.727 1.00 0.00 H new ATOM 682 N ARG A 49 -6.441 11.336 -1.161 1.00 0.00 N ATOM 683 CA ARG A 49 -7.383 12.340 -0.679 1.00 0.00 C ATOM 684 C ARG A 49 -8.517 12.545 -1.679 1.00 0.00 C ATOM 685 O ARG A 49 -9.652 12.827 -1.295 1.00 0.00 O ATOM 686 CB ARG A 49 -6.664 13.666 -0.427 1.00 0.00 C ATOM 687 CG ARG A 49 -7.402 14.586 0.533 1.00 0.00 C ATOM 688 CD ARG A 49 -7.040 14.291 1.980 1.00 0.00 C ATOM 689 NE ARG A 49 -6.274 15.377 2.586 1.00 0.00 N ATOM 690 CZ ARG A 49 -5.987 15.450 3.883 1.00 0.00 C ATOM 691 NH1 ARG A 49 -6.400 14.500 4.715 1.00 0.00 N ATOM 692 NH2 ARG A 49 -5.285 16.472 4.351 1.00 0.00 N ATOM 0 H ARG A 49 -5.601 11.719 -1.594 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.809 11.982 0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.670 13.461 -0.029 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.526 14.181 -1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.161 15.623 0.301 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.477 14.470 0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.951 14.126 2.555 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.461 13.369 2.028 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.939 16.124 1.978 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.939 13.710 4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.178 14.560 5.709 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.964 17.204 3.717 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.065 16.527 5.346 1.00 0.00 H new ATOM 706 N SER A 50 -8.201 12.402 -2.962 1.00 0.00 N ATOM 707 CA SER A 50 -9.194 12.571 -4.017 1.00 0.00 C ATOM 708 C SER A 50 -9.451 11.253 -4.741 1.00 0.00 C ATOM 709 O SER A 50 -8.761 10.261 -4.505 1.00 0.00 O ATOM 710 CB SER A 50 -8.730 13.633 -5.016 1.00 0.00 C ATOM 711 OG SER A 50 -7.443 13.327 -5.524 1.00 0.00 O ATOM 0 H SER A 50 -7.266 12.170 -3.296 1.00 0.00 H new ATOM 0 HA SER A 50 -10.126 12.897 -3.555 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.443 13.700 -5.838 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.711 14.609 -4.531 1.00 0.00 H new ATOM 0 HG SER A 50 -7.170 14.019 -6.161 1.00 0.00 H new ATOM 717 N ALA A 51 -10.445 11.253 -5.622 1.00 0.00 N ATOM 718 CA ALA A 51 -10.793 10.056 -6.380 1.00 0.00 C ATOM 719 C ALA A 51 -9.761 9.778 -7.466 1.00 0.00 C ATOM 720 O ALA A 51 -9.709 10.474 -8.481 1.00 0.00 O ATOM 721 CB ALA A 51 -12.179 10.204 -6.990 1.00 0.00 C ATOM 0 H ALA A 51 -11.024 12.067 -5.829 1.00 0.00 H new ATOM 0 HA ALA A 51 -10.799 9.208 -5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.427 9.304 -7.553 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.912 10.349 -6.197 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.192 11.065 -7.658 1.00 0.00 H new ATOM 727 N LYS A 52 -8.941 8.755 -7.249 1.00 0.00 N ATOM 728 CA LYS A 52 -7.908 8.385 -8.211 1.00 0.00 C ATOM 729 C LYS A 52 -7.528 6.915 -8.061 1.00 0.00 C ATOM 730 O LYS A 52 -6.385 6.532 -8.306 1.00 0.00 O ATOM 731 CB LYS A 52 -6.673 9.270 -8.027 1.00 0.00 C ATOM 732 CG LYS A 52 -6.337 10.107 -9.252 1.00 0.00 C ATOM 733 CD LYS A 52 -5.088 10.943 -9.028 1.00 0.00 C ATOM 734 CE LYS A 52 -5.016 12.108 -10.001 1.00 0.00 C ATOM 735 NZ LYS A 52 -3.633 12.648 -10.121 1.00 0.00 N ATOM 0 H LYS A 52 -8.971 8.167 -6.416 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.306 8.536 -9.215 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.835 9.933 -7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.818 8.640 -7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.190 9.453 -10.112 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.176 10.761 -9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.080 11.321 -8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.204 10.316 -9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.365 11.784 -10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.687 12.900 -9.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.639 13.483 -10.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.283 12.918 -9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.010 11.920 -10.526 1.00 0.00 H new ATOM 749 N GLY A 53 -8.495 6.097 -7.658 1.00 0.00 N ATOM 750 CA GLY A 53 -8.240 4.678 -7.483 1.00 0.00 C ATOM 751 C GLY A 53 -9.294 3.814 -8.147 1.00 0.00 C ATOM 752 O GLY A 53 -10.139 4.313 -8.889 1.00 0.00 O ATOM 0 H GLY A 53 -9.449 6.390 -7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.261 4.434 -7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.203 4.447 -6.418 1.00 0.00 H new ATOM 756 N LYS A 54 -9.242 2.512 -7.881 1.00 0.00 N ATOM 757 CA LYS A 54 -10.199 1.576 -8.459 1.00 0.00 C ATOM 758 C LYS A 54 -10.650 0.551 -7.423 1.00 0.00 C ATOM 759 O LYS A 54 -10.960 -0.592 -7.759 1.00 0.00 O ATOM 760 CB LYS A 54 -9.582 0.862 -9.663 1.00 0.00 C ATOM 761 CG LYS A 54 -9.293 1.787 -10.835 1.00 0.00 C ATOM 762 CD LYS A 54 -8.281 1.175 -11.789 1.00 0.00 C ATOM 763 CE LYS A 54 -7.364 2.233 -12.382 1.00 0.00 C ATOM 764 NZ LYS A 54 -5.965 1.741 -12.523 1.00 0.00 N ATOM 0 H LYS A 54 -8.548 2.082 -7.270 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.070 2.142 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.655 0.380 -9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.257 0.072 -9.992 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.219 1.998 -11.371 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.915 2.740 -10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.685 0.430 -11.261 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.804 0.654 -12.591 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.743 2.535 -13.358 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.375 3.119 -11.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.372 2.492 -12.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.594 1.476 -11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.950 0.911 -13.149 1.00 0.00 H new ATOM 778 N ASN A 55 -10.686 0.968 -6.162 1.00 0.00 N ATOM 779 CA ASN A 55 -11.101 0.086 -5.077 1.00 0.00 C ATOM 780 C ASN A 55 -11.847 0.866 -3.999 1.00 0.00 C ATOM 781 O ASN A 55 -11.585 2.048 -3.781 1.00 0.00 O ATOM 782 CB ASN A 55 -9.885 -0.618 -4.470 1.00 0.00 C ATOM 783 CG ASN A 55 -9.726 -2.038 -4.978 1.00 0.00 C ATOM 784 OD1 ASN A 55 -10.630 -2.862 -4.839 1.00 0.00 O ATOM 785 ND2 ASN A 55 -8.574 -2.330 -5.568 1.00 0.00 N ATOM 0 H ASN A 55 -10.433 1.911 -5.866 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.776 -0.665 -5.488 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.985 -0.049 -4.703 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.981 -0.632 -3.384 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.410 -3.270 -5.929 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.853 -1.615 -5.661 1.00 0.00 H new ATOM 792 N ASP A 56 -12.776 0.194 -3.326 1.00 0.00 N ATOM 793 CA ASP A 56 -13.561 0.824 -2.270 1.00 0.00 C ATOM 794 C ASP A 56 -12.988 0.493 -0.896 1.00 0.00 C ATOM 795 O ASP A 56 -13.723 0.414 0.090 1.00 0.00 O ATOM 796 CB ASP A 56 -15.019 0.372 -2.352 1.00 0.00 C ATOM 797 CG ASP A 56 -15.160 -1.138 -2.294 1.00 0.00 C ATOM 798 OD1 ASP A 56 -14.635 -1.747 -1.340 1.00 0.00 O ATOM 799 OD2 ASP A 56 -15.796 -1.708 -3.206 1.00 0.00 O ATOM 0 H ASP A 56 -13.003 -0.786 -3.493 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.515 1.904 -2.411 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.582 0.819 -1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.459 0.740 -3.279 1.00 0.00 H new ATOM 804 N GLY A 57 -11.675 0.301 -0.838 1.00 0.00 N ATOM 805 CA GLY A 57 -11.027 -0.019 0.421 1.00 0.00 C ATOM 806 C GLY A 57 -11.429 -1.382 0.952 1.00 0.00 C ATOM 807 O GLY A 57 -11.387 -1.622 2.159 1.00 0.00 O ATOM 0 H GLY A 57 -11.048 0.361 -1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.946 0.011 0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -11.278 0.743 1.159 1.00 0.00 H new ATOM 811 N ALA A 58 -11.818 -2.276 0.051 1.00 0.00 N ATOM 812 CA ALA A 58 -12.228 -3.622 0.436 1.00 0.00 C ATOM 813 C ALA A 58 -12.152 -4.577 -0.750 1.00 0.00 C ATOM 814 O ALA A 58 -12.576 -4.244 -1.857 1.00 0.00 O ATOM 815 CB ALA A 58 -13.636 -3.599 1.011 1.00 0.00 C ATOM 0 H ALA A 58 -11.858 -2.094 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.541 -3.982 1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.930 -4.610 1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.660 -2.954 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.329 -3.216 0.262 1.00 0.00 H new ATOM 821 N VAL A 59 -11.609 -5.767 -0.511 1.00 0.00 N ATOM 822 CA VAL A 59 -11.478 -6.771 -1.560 1.00 0.00 C ATOM 823 C VAL A 59 -11.790 -8.165 -1.029 1.00 0.00 C ATOM 824 O VAL A 59 -11.008 -8.743 -0.273 1.00 0.00 O ATOM 825 CB VAL A 59 -10.061 -6.769 -2.164 1.00 0.00 C ATOM 826 CG1 VAL A 59 -9.998 -7.677 -3.383 1.00 0.00 C ATOM 827 CG2 VAL A 59 -9.636 -5.353 -2.522 1.00 0.00 C ATOM 0 H VAL A 59 -11.253 -6.059 0.399 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.197 -6.513 -2.337 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.367 -7.155 -1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.989 -7.662 -3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.256 -8.695 -3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.703 -7.325 -4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.633 -5.371 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.332 -4.938 -3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.639 -4.734 -1.625 1.00 0.00 H new ATOM 837 N GLY A 60 -12.939 -8.701 -1.428 1.00 0.00 N ATOM 838 CA GLY A 60 -13.334 -10.024 -0.982 1.00 0.00 C ATOM 839 C GLY A 60 -14.010 -10.000 0.375 1.00 0.00 C ATOM 840 O GLY A 60 -14.832 -9.127 0.651 1.00 0.00 O ATOM 0 H GLY A 60 -13.603 -8.243 -2.052 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.011 -10.464 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.454 -10.666 -0.935 1.00 0.00 H new ATOM 844 N ASP A 61 -13.663 -10.963 1.223 1.00 0.00 N ATOM 845 CA ASP A 61 -14.243 -11.049 2.559 1.00 0.00 C ATOM 846 C ASP A 61 -13.306 -10.444 3.599 1.00 0.00 C ATOM 847 O ASP A 61 -13.295 -10.863 4.757 1.00 0.00 O ATOM 848 CB ASP A 61 -14.544 -12.507 2.913 1.00 0.00 C ATOM 849 CG ASP A 61 -15.539 -12.632 4.051 1.00 0.00 C ATOM 850 OD1 ASP A 61 -16.398 -11.736 4.188 1.00 0.00 O ATOM 851 OD2 ASP A 61 -15.458 -13.625 4.804 1.00 0.00 O ATOM 0 H ASP A 61 -12.984 -11.694 1.009 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.174 -10.482 2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.936 -13.018 2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.617 -13.010 3.188 1.00 0.00 H new ATOM 856 N LYS A 62 -12.522 -9.457 3.180 1.00 0.00 N ATOM 857 CA LYS A 62 -11.582 -8.794 4.077 1.00 0.00 C ATOM 858 C LYS A 62 -11.486 -7.304 3.760 1.00 0.00 C ATOM 859 O LYS A 62 -11.995 -6.843 2.738 1.00 0.00 O ATOM 860 CB LYS A 62 -10.200 -9.443 3.970 1.00 0.00 C ATOM 861 CG LYS A 62 -9.510 -9.628 5.311 1.00 0.00 C ATOM 862 CD LYS A 62 -8.178 -10.345 5.159 1.00 0.00 C ATOM 863 CE LYS A 62 -7.179 -9.903 6.216 1.00 0.00 C ATOM 864 NZ LYS A 62 -5.974 -9.269 5.612 1.00 0.00 N ATOM 0 H LYS A 62 -12.518 -9.098 2.225 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.949 -8.906 5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.300 -10.414 3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.568 -8.830 3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.350 -8.655 5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.157 -10.198 5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.333 -11.421 5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.770 -10.149 4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.658 -9.198 6.896 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.876 -10.764 6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.318 -8.982 6.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.502 -9.950 4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.260 -8.432 5.065 1.00 0.00 H new ATOM 878 N ARG A 63 -10.830 -6.558 4.642 1.00 0.00 N ATOM 879 CA ARG A 63 -10.667 -5.121 4.456 1.00 0.00 C ATOM 880 C ARG A 63 -9.209 -4.710 4.637 1.00 0.00 C ATOM 881 O ARG A 63 -8.413 -5.448 5.218 1.00 0.00 O ATOM 882 CB ARG A 63 -11.555 -4.356 5.440 1.00 0.00 C ATOM 883 CG ARG A 63 -12.345 -3.228 4.795 1.00 0.00 C ATOM 884 CD ARG A 63 -13.820 -3.580 4.668 1.00 0.00 C ATOM 885 NE ARG A 63 -14.520 -3.469 5.946 1.00 0.00 N ATOM 886 CZ ARG A 63 -15.845 -3.421 6.063 1.00 0.00 C ATOM 887 NH1 ARG A 63 -16.616 -3.472 4.984 1.00 0.00 N ATOM 888 NH2 ARG A 63 -16.401 -3.320 7.263 1.00 0.00 N ATOM 0 H ARG A 63 -10.403 -6.924 5.493 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.969 -4.874 3.438 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -12.249 -5.054 5.908 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.932 -3.945 6.235 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.237 -2.321 5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.935 -3.014 3.808 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -14.289 -2.919 3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.919 -4.597 4.287 1.00 0.00 H new ATOM 0 HE ARG A 63 -13.961 -3.426 6.798 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -16.194 -3.548 4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -17.631 -3.435 5.080 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.813 -3.279 8.096 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -17.416 -3.283 7.353 1.00 0.00 H new ATOM 902 N TYR A 64 -8.866 -3.526 4.139 1.00 0.00 N ATOM 903 CA TYR A 64 -7.504 -3.016 4.248 1.00 0.00 C ATOM 904 C TYR A 64 -7.501 -1.571 4.736 1.00 0.00 C ATOM 905 O TYR A 64 -6.876 -1.248 5.746 1.00 0.00 O ATOM 906 CB TYR A 64 -6.793 -3.111 2.896 1.00 0.00 C ATOM 907 CG TYR A 64 -6.923 -4.466 2.236 1.00 0.00 C ATOM 908 CD1 TYR A 64 -6.509 -5.620 2.890 1.00 0.00 C ATOM 909 CD2 TYR A 64 -7.458 -4.590 0.960 1.00 0.00 C ATOM 910 CE1 TYR A 64 -6.625 -6.859 2.290 1.00 0.00 C ATOM 911 CE2 TYR A 64 -7.578 -5.825 0.354 1.00 0.00 C ATOM 912 CZ TYR A 64 -7.159 -6.957 1.023 1.00 0.00 C ATOM 913 OH TYR A 64 -7.277 -8.189 0.422 1.00 0.00 O ATOM 0 H TYR A 64 -9.513 -2.902 3.656 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.971 -3.627 4.976 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.198 -2.351 2.228 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.736 -2.884 3.034 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.090 -5.547 3.883 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.785 -3.706 0.433 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.299 -7.747 2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.997 -5.905 -0.638 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.800 -8.102 -0.402 1.00 0.00 H new ATOM 923 N PHE A 65 -8.203 -0.707 4.012 1.00 0.00 N ATOM 924 CA PHE A 65 -8.282 0.705 4.372 1.00 0.00 C ATOM 925 C PHE A 65 -9.710 1.223 4.232 1.00 0.00 C ATOM 926 O PHE A 65 -10.572 0.550 3.667 1.00 0.00 O ATOM 927 CB PHE A 65 -7.341 1.529 3.491 1.00 0.00 C ATOM 928 CG PHE A 65 -7.486 1.241 2.024 1.00 0.00 C ATOM 929 CD1 PHE A 65 -6.915 0.108 1.468 1.00 0.00 C ATOM 930 CD2 PHE A 65 -8.193 2.103 1.201 1.00 0.00 C ATOM 931 CE1 PHE A 65 -7.046 -0.161 0.119 1.00 0.00 C ATOM 932 CE2 PHE A 65 -8.328 1.839 -0.149 1.00 0.00 C ATOM 933 CZ PHE A 65 -7.753 0.706 -0.690 1.00 0.00 C ATOM 0 H PHE A 65 -8.725 -0.958 3.173 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.978 0.807 5.414 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.528 2.589 3.665 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.312 1.334 3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.361 -0.573 2.096 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.644 2.991 1.619 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.596 -1.048 -0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.882 2.518 -0.780 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.856 0.498 -1.745 1.00 0.00 H new ATOM 943 N THR A 66 -9.954 2.421 4.753 1.00 0.00 N ATOM 944 CA THR A 66 -11.277 3.030 4.687 1.00 0.00 C ATOM 945 C THR A 66 -11.224 4.374 3.969 1.00 0.00 C ATOM 946 O THR A 66 -10.449 5.256 4.339 1.00 0.00 O ATOM 947 CB THR A 66 -11.847 3.213 6.095 1.00 0.00 C ATOM 948 OG1 THR A 66 -11.810 1.993 6.814 1.00 0.00 O ATOM 949 CG2 THR A 66 -13.278 3.707 6.102 1.00 0.00 C ATOM 0 H THR A 66 -9.252 2.990 5.226 1.00 0.00 H new ATOM 0 HA THR A 66 -11.928 2.363 4.122 1.00 0.00 H new ATOM 0 HB THR A 66 -11.217 3.968 6.566 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.177 2.131 7.712 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.621 3.815 7.131 1.00 0.00 H new ATOM 0 HG22 THR A 66 -13.332 4.672 5.598 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.913 2.990 5.582 1.00 0.00 H new ATOM 957 N CYS A 67 -12.052 4.523 2.941 1.00 0.00 N ATOM 958 CA CYS A 67 -12.099 5.761 2.171 1.00 0.00 C ATOM 959 C CYS A 67 -13.330 5.798 1.271 1.00 0.00 C ATOM 960 O CYS A 67 -14.137 4.868 1.268 1.00 0.00 O ATOM 961 CB CYS A 67 -10.832 5.909 1.327 1.00 0.00 C ATOM 962 SG CYS A 67 -10.573 4.565 0.144 1.00 0.00 S ATOM 0 H CYS A 67 -12.700 3.803 2.622 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.160 6.593 2.873 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -10.878 6.853 0.784 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.970 5.965 1.992 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.577 3.827 0.536 1.00 0.00 H new ATOM 968 N LYS A 68 -13.468 6.879 0.510 1.00 0.00 N ATOM 969 CA LYS A 68 -14.600 7.037 -0.395 1.00 0.00 C ATOM 970 C LYS A 68 -14.458 6.127 -1.612 1.00 0.00 C ATOM 971 O LYS A 68 -13.378 5.602 -1.881 1.00 0.00 O ATOM 972 CB LYS A 68 -14.721 8.495 -0.844 1.00 0.00 C ATOM 973 CG LYS A 68 -15.428 9.387 0.164 1.00 0.00 C ATOM 974 CD LYS A 68 -14.439 10.214 0.973 1.00 0.00 C ATOM 975 CE LYS A 68 -14.450 9.819 2.441 1.00 0.00 C ATOM 976 NZ LYS A 68 -15.323 10.712 3.251 1.00 0.00 N ATOM 0 H LYS A 68 -12.810 7.658 0.502 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.505 6.753 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.723 8.892 -1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.261 8.531 -1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.117 10.051 -0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -16.026 8.773 0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.436 10.082 0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.685 11.272 0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.795 8.790 2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.434 9.852 2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.303 10.409 4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.979 11.691 3.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.298 10.661 2.894 1.00 0.00 H new ATOM 990 N PRO A 69 -15.552 5.927 -2.366 1.00 0.00 N ATOM 991 CA PRO A 69 -15.542 5.075 -3.560 1.00 0.00 C ATOM 992 C PRO A 69 -14.479 5.503 -4.567 1.00 0.00 C ATOM 993 O PRO A 69 -14.481 6.638 -5.042 1.00 0.00 O ATOM 994 CB PRO A 69 -16.943 5.264 -4.151 1.00 0.00 C ATOM 995 CG PRO A 69 -17.785 5.706 -3.004 1.00 0.00 C ATOM 996 CD PRO A 69 -16.881 6.514 -2.116 1.00 0.00 C ATOM 0 HA PRO A 69 -15.306 4.039 -3.316 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.939 6.008 -4.948 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.318 4.336 -4.583 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -18.630 6.303 -3.347 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.195 4.850 -2.468 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -16.908 7.573 -2.371 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.167 6.431 -1.068 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.574 4.585 -4.890 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.505 4.865 -5.841 1.00 0.00 C ATOM 1006 C ASN A 70 -11.616 6.003 -5.345 1.00 0.00 C ATOM 1007 O ASN A 70 -11.439 7.011 -6.029 1.00 0.00 O ATOM 1008 CB ASN A 70 -13.092 5.216 -7.210 1.00 0.00 C ATOM 1009 CG ASN A 70 -13.622 3.999 -7.941 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -13.871 2.956 -7.336 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -13.797 4.125 -9.252 1.00 0.00 N ATOM 0 H ASN A 70 -13.560 3.640 -4.507 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.893 3.968 -5.936 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.898 5.939 -7.082 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.326 5.697 -7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.151 3.339 -9.797 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.578 5.008 -9.713 1.00 0.00 H new ATOM 1018 N TYR A 71 -11.057 5.832 -4.152 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.184 6.842 -3.564 1.00 0.00 C ATOM 1020 C TYR A 71 -8.794 6.272 -3.303 1.00 0.00 C ATOM 1021 O TYR A 71 -7.784 6.917 -3.582 1.00 0.00 O ATOM 1022 CB TYR A 71 -10.783 7.373 -2.261 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.653 8.596 -2.446 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -12.659 8.618 -3.403 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.466 9.729 -1.664 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -13.455 9.734 -3.576 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -12.258 10.849 -1.831 1.00 0.00 C ATOM 1028 CZ TYR A 71 -13.251 10.846 -2.788 1.00 0.00 C ATOM 1029 OH TYR A 71 -14.042 11.960 -2.958 1.00 0.00 O ATOM 0 H TYR A 71 -11.193 5.003 -3.573 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.094 7.665 -4.274 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.374 6.584 -1.795 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.974 7.614 -1.571 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.822 7.748 -4.022 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.689 9.735 -0.914 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.233 9.735 -4.325 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.100 11.722 -1.215 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.769 12.655 -2.323 1.00 0.00 H new ATOM 1039 N GLY A 72 -8.751 5.057 -2.766 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.481 4.418 -2.476 1.00 0.00 C ATOM 1041 C GLY A 72 -7.068 3.433 -3.552 1.00 0.00 C ATOM 1042 O GLY A 72 -7.828 3.165 -4.482 1.00 0.00 O ATOM 0 H GLY A 72 -9.574 4.503 -2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.710 5.181 -2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.549 3.899 -1.520 1.00 0.00 H new ATOM 1046 N VAL A 73 -5.861 2.892 -3.425 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.349 1.931 -4.395 1.00 0.00 C ATOM 1048 C VAL A 73 -4.568 0.818 -3.705 1.00 0.00 C ATOM 1049 O VAL A 73 -4.158 0.956 -2.553 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.441 2.612 -5.435 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.260 3.497 -6.362 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.348 3.416 -4.745 1.00 0.00 C ATOM 0 H VAL A 73 -5.219 3.102 -2.660 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.213 1.504 -4.904 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.965 1.838 -6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.601 3.970 -7.090 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.001 2.891 -6.883 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.766 4.266 -5.778 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.716 3.890 -5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.802 4.182 -4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.742 2.752 -4.128 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.363 -0.284 -4.418 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.630 -1.423 -3.875 1.00 0.00 C ATOM 1064 C LEU A 74 -2.427 -1.763 -4.748 1.00 0.00 C ATOM 1065 O LEU A 74 -2.573 -2.332 -5.830 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.550 -2.639 -3.757 1.00 0.00 C ATOM 1067 CG LEU A 74 -5.346 -2.725 -2.453 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.675 -3.426 -2.685 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -4.539 -3.448 -1.385 1.00 0.00 C ATOM 0 H LEU A 74 -4.694 -0.413 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.270 -1.151 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.250 -2.628 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.948 -3.542 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.549 -1.712 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.228 -3.478 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.257 -2.868 -3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.494 -4.435 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.119 -3.501 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.306 -4.457 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.612 -2.905 -1.199 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.238 -1.410 -4.270 1.00 0.00 N ATOM 1082 CA VAL A 75 -0.007 -1.677 -5.006 1.00 0.00 C ATOM 1083 C VAL A 75 1.007 -2.407 -4.133 1.00 0.00 C ATOM 1084 O VAL A 75 0.764 -2.646 -2.949 1.00 0.00 O ATOM 1085 CB VAL A 75 0.628 -0.377 -5.531 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -0.149 0.154 -6.726 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.699 0.667 -4.426 1.00 0.00 C ATOM 0 H VAL A 75 -1.101 -0.938 -3.376 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.276 -2.308 -5.853 1.00 0.00 H new ATOM 0 HB VAL A 75 1.644 -0.598 -5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.315 1.073 -7.083 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.142 -0.589 -7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.178 0.359 -6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.151 1.579 -4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.307 0.885 -4.066 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.304 0.286 -3.603 1.00 0.00 H new ATOM 1097 N ARG A 76 2.142 -2.763 -4.724 1.00 0.00 N ATOM 1098 CA ARG A 76 3.194 -3.469 -4.002 1.00 0.00 C ATOM 1099 C ARG A 76 4.372 -2.543 -3.708 1.00 0.00 C ATOM 1100 O ARG A 76 4.602 -1.569 -4.423 1.00 0.00 O ATOM 1101 CB ARG A 76 3.671 -4.680 -4.807 1.00 0.00 C ATOM 1102 CG ARG A 76 2.543 -5.454 -5.472 1.00 0.00 C ATOM 1103 CD ARG A 76 2.763 -6.957 -5.380 1.00 0.00 C ATOM 1104 NE ARG A 76 2.611 -7.612 -6.678 1.00 0.00 N ATOM 1105 CZ ARG A 76 2.377 -8.914 -6.829 1.00 0.00 C ATOM 1106 NH1 ARG A 76 2.268 -9.704 -5.767 1.00 0.00 N ATOM 1107 NH2 ARG A 76 2.251 -9.428 -8.045 1.00 0.00 N ATOM 0 H ARG A 76 2.357 -2.574 -5.703 1.00 0.00 H new ATOM 0 HA ARG A 76 2.780 -3.812 -3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.370 -4.344 -5.573 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.220 -5.351 -4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.596 -5.195 -4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.468 -5.160 -6.519 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.761 -7.154 -4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.053 -7.385 -4.672 1.00 0.00 H new ATOM 0 HE ARG A 76 2.689 -7.038 -7.517 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.364 -9.314 -4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.089 -10.701 -5.889 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.333 -8.826 -8.864 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.072 -10.425 -8.161 1.00 0.00 H new ATOM 1121 N PRO A 77 5.139 -2.836 -2.639 1.00 0.00 N ATOM 1122 CA PRO A 77 6.295 -2.025 -2.259 1.00 0.00 C ATOM 1123 C PRO A 77 7.169 -1.715 -3.464 1.00 0.00 C ATOM 1124 O PRO A 77 7.484 -0.560 -3.744 1.00 0.00 O ATOM 1125 CB PRO A 77 7.039 -2.919 -1.268 1.00 0.00 C ATOM 1126 CG PRO A 77 5.975 -3.765 -0.656 1.00 0.00 C ATOM 1127 CD PRO A 77 4.938 -3.979 -1.727 1.00 0.00 C ATOM 0 HA PRO A 77 6.015 -1.058 -1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.791 -3.528 -1.770 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.559 -2.328 -0.514 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.383 -4.716 -0.314 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.540 -3.274 0.214 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.081 -4.930 -2.239 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.930 -3.989 -1.313 1.00 0.00 H new ATOM 1135 N SER A 78 7.537 -2.767 -4.191 1.00 0.00 N ATOM 1136 CA SER A 78 8.350 -2.615 -5.386 1.00 0.00 C ATOM 1137 C SER A 78 7.669 -1.659 -6.356 1.00 0.00 C ATOM 1138 O SER A 78 8.320 -1.047 -7.201 1.00 0.00 O ATOM 1139 CB SER A 78 8.575 -3.972 -6.056 1.00 0.00 C ATOM 1140 OG SER A 78 9.515 -4.749 -5.333 1.00 0.00 O ATOM 0 H SER A 78 7.284 -3.730 -3.971 1.00 0.00 H new ATOM 0 HA SER A 78 9.319 -2.205 -5.101 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.629 -4.509 -6.123 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.930 -3.823 -7.076 1.00 0.00 H new ATOM 0 HG SER A 78 9.640 -5.612 -5.781 1.00 0.00 H new ATOM 1146 N ARG A 79 6.349 -1.525 -6.215 1.00 0.00 N ATOM 1147 CA ARG A 79 5.584 -0.630 -7.069 1.00 0.00 C ATOM 1148 C ARG A 79 5.461 0.753 -6.433 1.00 0.00 C ATOM 1149 O ARG A 79 4.997 1.696 -7.075 1.00 0.00 O ATOM 1150 CB ARG A 79 4.194 -1.207 -7.342 1.00 0.00 C ATOM 1151 CG ARG A 79 4.170 -2.246 -8.451 1.00 0.00 C ATOM 1152 CD ARG A 79 3.897 -1.611 -9.804 1.00 0.00 C ATOM 1153 NE ARG A 79 5.128 -1.205 -10.479 1.00 0.00 N ATOM 1154 CZ ARG A 79 5.182 -0.824 -11.754 1.00 0.00 C ATOM 1155 NH1 ARG A 79 4.080 -0.796 -12.493 1.00 0.00 N ATOM 1156 NH2 ARG A 79 6.341 -0.469 -12.290 1.00 0.00 N ATOM 0 H ARG A 79 5.794 -2.024 -5.520 1.00 0.00 H new ATOM 0 HA ARG A 79 6.115 -0.530 -8.015 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.811 -1.657 -6.426 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.518 -0.393 -7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.125 -2.770 -8.480 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.404 -2.991 -8.236 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.355 -2.317 -10.433 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.252 -0.742 -9.673 1.00 0.00 H new ATOM 0 HE ARG A 79 5.996 -1.214 -9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.185 -1.067 -12.085 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.128 -0.503 -13.469 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.191 -0.488 -11.726 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.383 -0.177 -13.266 1.00 0.00 H new ATOM 1170 N VAL A 80 5.877 0.876 -5.170 1.00 0.00 N ATOM 1171 CA VAL A 80 5.802 2.160 -4.475 1.00 0.00 C ATOM 1172 C VAL A 80 7.176 2.612 -3.985 1.00 0.00 C ATOM 1173 O VAL A 80 7.932 1.829 -3.410 1.00 0.00 O ATOM 1174 CB VAL A 80 4.822 2.106 -3.283 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.472 1.567 -3.729 1.00 0.00 C ATOM 1176 CG2 VAL A 80 5.388 1.268 -2.143 1.00 0.00 C ATOM 0 H VAL A 80 6.264 0.112 -4.615 1.00 0.00 H new ATOM 0 HA VAL A 80 5.431 2.885 -5.200 1.00 0.00 H new ATOM 0 HB VAL A 80 4.684 3.122 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.793 1.535 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.057 2.217 -4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.596 0.562 -4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.676 1.248 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.567 0.251 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.327 1.704 -1.802 1.00 0.00 H new ATOM 1186 N THR A 81 7.493 3.881 -4.220 1.00 0.00 N ATOM 1187 CA THR A 81 8.775 4.439 -3.803 1.00 0.00 C ATOM 1188 C THR A 81 8.575 5.689 -2.954 1.00 0.00 C ATOM 1189 O THR A 81 7.638 6.458 -3.174 1.00 0.00 O ATOM 1190 CB THR A 81 9.633 4.770 -5.027 1.00 0.00 C ATOM 1191 OG1 THR A 81 9.176 4.066 -6.167 1.00 0.00 O ATOM 1192 CG2 THR A 81 11.098 4.437 -4.838 1.00 0.00 C ATOM 0 H THR A 81 6.880 4.542 -4.697 1.00 0.00 H new ATOM 0 HA THR A 81 9.289 3.691 -3.199 1.00 0.00 H new ATOM 0 HB THR A 81 9.536 5.847 -5.164 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.737 4.293 -6.938 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.650 4.696 -5.742 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.494 5.004 -3.996 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.206 3.371 -4.640 1.00 0.00 H new