USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 670 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 Single : A 17 GLN : amide:sc= -0.0683 K(o=-0.068,f=-1.1) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-0.91) USER MOD Single : A 28 GLN : amide:sc= -0.51 X(o=-0.51,f=-0.42) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0421) USER MOD Single : A 35 ASN : amide:sc= -0.19 K(o=-0.19,f=-2.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.049 K(o=-0.049,f=-3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0148 K(o=-0.015,f=-1.3) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.391 F(o=-0.93,f=-0.39) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0126 K(o=-0.013,f=-0.63) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0944 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0637 K(o=-0.064,f=-1.3) USER MOD Single : A 83 MET CE :methyl 155:sc= -5.76! (180deg=-11.2!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.829 K(o=-0.83,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 151 N TRP A 14 -2.393 -1.634 8.459 1.00 0.00 N ATOM 152 CA TRP A 14 -1.219 -0.769 8.448 1.00 0.00 C ATOM 153 C TRP A 14 -1.355 0.348 9.476 1.00 0.00 C ATOM 154 O TRP A 14 -0.364 0.801 10.049 1.00 0.00 O ATOM 155 CB TRP A 14 -1.012 -0.174 7.054 1.00 0.00 C ATOM 156 CG TRP A 14 -2.203 0.583 6.549 1.00 0.00 C ATOM 157 CD1 TRP A 14 -3.181 0.114 5.719 1.00 0.00 C ATOM 158 CD2 TRP A 14 -2.540 1.944 6.841 1.00 0.00 C ATOM 159 NE1 TRP A 14 -4.105 1.101 5.477 1.00 0.00 N ATOM 160 CE2 TRP A 14 -3.736 2.233 6.154 1.00 0.00 C ATOM 161 CE3 TRP A 14 -1.950 2.945 7.617 1.00 0.00 C ATOM 162 CZ2 TRP A 14 -4.349 3.481 6.221 1.00 0.00 C ATOM 163 CZ3 TRP A 14 -2.560 4.184 7.681 1.00 0.00 C ATOM 164 CH2 TRP A 14 -3.749 4.443 6.988 1.00 0.00 C ATOM 0 HA TRP A 14 -0.351 -1.374 8.710 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -0.149 0.492 7.075 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.778 -0.977 6.355 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.222 -0.886 5.313 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.932 1.006 4.888 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -1.034 2.754 8.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.266 3.683 5.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.112 4.966 8.276 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.201 5.421 7.060 1.00 0.00 H new ATOM 175 N GLU A 15 -2.589 0.787 9.706 1.00 0.00 N ATOM 176 CA GLU A 15 -2.853 1.853 10.666 1.00 0.00 C ATOM 177 C GLU A 15 -2.484 1.414 12.081 1.00 0.00 C ATOM 178 O GLU A 15 -2.273 2.245 12.965 1.00 0.00 O ATOM 179 CB GLU A 15 -4.326 2.262 10.615 1.00 0.00 C ATOM 180 CG GLU A 15 -5.275 1.184 11.113 1.00 0.00 C ATOM 181 CD GLU A 15 -5.462 0.063 10.109 1.00 0.00 C ATOM 182 OE1 GLU A 15 -4.575 -0.812 10.026 1.00 0.00 O ATOM 183 OE2 GLU A 15 -6.494 0.061 9.406 1.00 0.00 O ATOM 0 H GLU A 15 -3.420 0.422 9.241 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.236 2.710 10.397 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.465 3.162 11.214 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.588 2.519 9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.892 0.771 12.046 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.243 1.632 11.336 1.00 0.00 H new ATOM 190 N LEU A 16 -2.409 0.104 12.286 1.00 0.00 N ATOM 191 CA LEU A 16 -2.066 -0.447 13.593 1.00 0.00 C ATOM 192 C LEU A 16 -0.599 -0.194 13.923 1.00 0.00 C ATOM 193 O LEU A 16 -0.242 0.026 15.080 1.00 0.00 O ATOM 194 CB LEU A 16 -2.357 -1.948 13.628 1.00 0.00 C ATOM 195 CG LEU A 16 -3.828 -2.344 13.757 1.00 0.00 C ATOM 196 CD1 LEU A 16 -3.989 -3.851 13.631 1.00 0.00 C ATOM 197 CD2 LEU A 16 -4.399 -1.854 15.079 1.00 0.00 C ATOM 0 H LEU A 16 -2.581 -0.596 11.565 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.679 0.053 14.343 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.959 -2.396 12.717 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.809 -2.384 14.463 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.383 -1.871 12.947 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.043 -4.114 13.725 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.620 -4.176 12.658 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.420 -4.345 14.419 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.447 -2.145 15.153 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.840 -2.297 15.903 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.320 -0.768 15.129 1.00 0.00 H new ATOM 209 N GLN A 17 0.247 -0.225 12.898 1.00 0.00 N ATOM 210 CA GLN A 17 1.676 0.002 13.080 1.00 0.00 C ATOM 211 C GLN A 17 1.992 1.494 13.088 1.00 0.00 C ATOM 212 O GLN A 17 2.879 1.946 13.813 1.00 0.00 O ATOM 213 CB GLN A 17 2.469 -0.693 11.972 1.00 0.00 C ATOM 214 CG GLN A 17 2.300 -2.204 11.960 1.00 0.00 C ATOM 215 CD GLN A 17 3.191 -2.899 12.972 1.00 0.00 C ATOM 216 OE1 GLN A 17 4.320 -2.474 13.217 1.00 0.00 O ATOM 217 NE2 GLN A 17 2.686 -3.974 13.566 1.00 0.00 N ATOM 0 H GLN A 17 -0.032 -0.405 11.934 1.00 0.00 H new ATOM 0 HA GLN A 17 1.966 -0.418 14.043 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.157 -0.293 11.007 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.526 -0.455 12.089 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.259 -2.451 12.168 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.525 -2.583 10.963 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.745 -4.291 13.332 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.239 -4.483 14.256 1.00 0.00 H new ATOM 226 N ILE A 18 1.263 2.253 12.277 1.00 0.00 N ATOM 227 CA ILE A 18 1.467 3.694 12.192 1.00 0.00 C ATOM 228 C ILE A 18 0.927 4.400 13.431 1.00 0.00 C ATOM 229 O ILE A 18 -0.136 4.049 13.944 1.00 0.00 O ATOM 230 CB ILE A 18 0.789 4.286 10.942 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.463 5.600 10.543 1.00 0.00 C ATOM 232 CG2 ILE A 18 -0.695 4.501 11.196 1.00 0.00 C ATOM 233 CD1 ILE A 18 0.962 6.162 9.231 1.00 0.00 C ATOM 0 H ILE A 18 0.526 1.894 11.670 1.00 0.00 H new ATOM 0 HA ILE A 18 2.543 3.856 12.124 1.00 0.00 H new ATOM 0 HB ILE A 18 0.898 3.580 10.119 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.300 6.336 11.330 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.539 5.441 10.473 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.160 4.920 10.304 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.165 3.547 11.437 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.825 5.190 12.030 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.484 7.094 9.011 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.149 5.444 8.432 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.109 6.354 9.302 1.00 0.00 H new ATOM 245 N SER A 19 1.665 5.397 13.906 1.00 0.00 N ATOM 246 CA SER A 19 1.262 6.152 15.087 1.00 0.00 C ATOM 247 C SER A 19 -0.139 6.729 14.910 1.00 0.00 C ATOM 248 O SER A 19 -0.654 6.847 13.798 1.00 0.00 O ATOM 249 CB SER A 19 2.259 7.279 15.364 1.00 0.00 C ATOM 250 OG SER A 19 3.301 6.839 16.218 1.00 0.00 O ATOM 0 H SER A 19 2.546 5.701 13.491 1.00 0.00 H new ATOM 0 HA SER A 19 1.251 5.470 15.937 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.681 7.635 14.424 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.742 8.123 15.821 1.00 0.00 H new ATOM 0 HG SER A 19 3.926 7.577 16.378 1.00 0.00 H new ATOM 256 N PRO A 20 -0.772 7.099 16.034 1.00 0.00 N ATOM 257 CA PRO A 20 -2.122 7.671 16.030 1.00 0.00 C ATOM 258 C PRO A 20 -2.155 9.074 15.433 1.00 0.00 C ATOM 259 O PRO A 20 -3.122 9.454 14.773 1.00 0.00 O ATOM 260 CB PRO A 20 -2.493 7.713 17.515 1.00 0.00 C ATOM 261 CG PRO A 20 -1.188 7.777 18.230 1.00 0.00 C ATOM 262 CD PRO A 20 -0.218 6.988 17.394 1.00 0.00 C ATOM 0 HA PRO A 20 -2.811 7.086 15.420 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.113 8.580 17.744 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.061 6.829 17.806 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.856 8.809 18.344 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.271 7.357 19.232 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.790 7.399 17.452 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.158 5.950 17.720 1.00 0.00 H new ATOM 270 N GLU A 21 -1.094 9.839 15.669 1.00 0.00 N ATOM 271 CA GLU A 21 -1.004 11.200 15.154 1.00 0.00 C ATOM 272 C GLU A 21 -0.621 11.198 13.677 1.00 0.00 C ATOM 273 O GLU A 21 -0.922 12.142 12.945 1.00 0.00 O ATOM 274 CB GLU A 21 0.020 12.006 15.956 1.00 0.00 C ATOM 275 CG GLU A 21 -0.385 12.236 17.402 1.00 0.00 C ATOM 276 CD GLU A 21 0.224 13.497 17.985 1.00 0.00 C ATOM 277 OE1 GLU A 21 -0.306 14.594 17.706 1.00 0.00 O ATOM 278 OE2 GLU A 21 1.229 13.388 18.717 1.00 0.00 O ATOM 0 H GLU A 21 -0.285 9.539 16.213 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.984 11.666 15.257 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.977 11.486 15.934 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.170 12.971 15.472 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.471 12.299 17.466 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.080 11.379 18.002 1.00 0.00 H new ATOM 285 N LEU A 22 0.043 10.132 13.245 1.00 0.00 N ATOM 286 CA LEU A 22 0.467 10.006 11.855 1.00 0.00 C ATOM 287 C LEU A 22 -0.718 9.682 10.951 1.00 0.00 C ATOM 288 O LEU A 22 -0.805 10.171 9.824 1.00 0.00 O ATOM 289 CB LEU A 22 1.536 8.919 11.724 1.00 0.00 C ATOM 290 CG LEU A 22 2.955 9.320 12.129 1.00 0.00 C ATOM 291 CD1 LEU A 22 3.653 10.038 10.985 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.926 10.196 13.373 1.00 0.00 C ATOM 0 H LEU A 22 0.300 9.342 13.837 1.00 0.00 H new ATOM 0 HA LEU A 22 0.888 10.961 11.541 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.234 8.066 12.331 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.557 8.581 10.688 1.00 0.00 H new ATOM 0 HG LEU A 22 3.517 8.415 12.359 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.662 10.316 11.291 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.706 9.378 10.119 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.093 10.936 10.723 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.944 10.472 13.647 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.348 11.097 13.170 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.465 9.647 14.194 1.00 0.00 H new ATOM 304 N LEU A 23 -1.629 8.855 11.452 1.00 0.00 N ATOM 305 CA LEU A 23 -2.811 8.467 10.691 1.00 0.00 C ATOM 306 C LEU A 23 -3.684 9.680 10.385 1.00 0.00 C ATOM 307 O LEU A 23 -3.954 9.985 9.223 1.00 0.00 O ATOM 308 CB LEU A 23 -3.620 7.425 11.464 1.00 0.00 C ATOM 309 CG LEU A 23 -4.957 7.018 10.844 1.00 0.00 C ATOM 310 CD1 LEU A 23 -4.733 6.221 9.568 1.00 0.00 C ATOM 311 CD2 LEU A 23 -5.784 6.215 11.838 1.00 0.00 C ATOM 0 H LEU A 23 -1.572 8.440 12.382 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.479 8.034 9.748 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.008 6.530 11.578 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.809 7.811 12.466 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.509 7.923 10.591 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.696 5.940 9.141 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.182 6.829 8.851 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.161 5.322 9.796 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.732 5.934 11.379 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.238 5.316 12.123 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.975 6.820 12.725 1.00 0.00 H new ATOM 323 N ALA A 24 -4.120 10.369 11.434 1.00 0.00 N ATOM 324 CA ALA A 24 -4.958 11.551 11.277 1.00 0.00 C ATOM 325 C ALA A 24 -4.242 12.629 10.471 1.00 0.00 C ATOM 326 O ALA A 24 -4.815 13.214 9.550 1.00 0.00 O ATOM 327 CB ALA A 24 -5.367 12.093 12.639 1.00 0.00 C ATOM 0 H ALA A 24 -3.907 10.129 12.402 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.854 11.260 10.729 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.993 12.976 12.506 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.926 11.330 13.181 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.476 12.362 13.206 1.00 0.00 H new ATOM 333 N HIS A 25 -2.986 12.888 10.822 1.00 0.00 N ATOM 334 CA HIS A 25 -2.192 13.897 10.130 1.00 0.00 C ATOM 335 C HIS A 25 -2.139 13.613 8.632 1.00 0.00 C ATOM 336 O HIS A 25 -2.311 14.515 7.813 1.00 0.00 O ATOM 337 CB HIS A 25 -0.775 13.942 10.703 1.00 0.00 C ATOM 338 CG HIS A 25 0.164 14.799 9.912 1.00 0.00 C ATOM 339 ND1 HIS A 25 -0.208 16.001 9.348 1.00 0.00 N ATOM 340 CD2 HIS A 25 1.468 14.624 9.594 1.00 0.00 C ATOM 341 CE1 HIS A 25 0.826 16.527 8.715 1.00 0.00 C ATOM 342 NE2 HIS A 25 1.856 15.711 8.850 1.00 0.00 N ATOM 0 H HIS A 25 -2.497 12.413 11.581 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.668 14.866 10.282 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.818 14.313 11.727 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.378 12.928 10.748 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.088 13.785 9.874 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.828 17.464 8.179 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.788 15.864 8.464 1.00 0.00 H new ATOM 351 N GLY A 26 -1.898 12.354 8.281 1.00 0.00 N ATOM 352 CA GLY A 26 -1.826 11.974 6.882 1.00 0.00 C ATOM 353 C GLY A 26 -3.153 12.136 6.168 1.00 0.00 C ATOM 354 O GLY A 26 -3.245 12.854 5.172 1.00 0.00 O ATOM 0 H GLY A 26 -1.751 11.590 8.941 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.072 12.581 6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.501 10.936 6.807 1.00 0.00 H new ATOM 358 N ARG A 27 -4.182 11.467 6.676 1.00 0.00 N ATOM 359 CA ARG A 27 -5.510 11.538 6.079 1.00 0.00 C ATOM 360 C ARG A 27 -5.906 12.986 5.806 1.00 0.00 C ATOM 361 O ARG A 27 -6.205 13.354 4.670 1.00 0.00 O ATOM 362 CB ARG A 27 -6.542 10.880 6.996 1.00 0.00 C ATOM 363 CG ARG A 27 -6.664 9.378 6.797 1.00 0.00 C ATOM 364 CD ARG A 27 -7.191 8.691 8.047 1.00 0.00 C ATOM 365 NE ARG A 27 -7.930 7.472 7.732 1.00 0.00 N ATOM 366 CZ ARG A 27 -9.093 7.462 7.090 1.00 0.00 C ATOM 367 NH1 ARG A 27 -9.647 8.601 6.698 1.00 0.00 N ATOM 368 NH2 ARG A 27 -9.704 6.312 6.840 1.00 0.00 N ATOM 0 H ARG A 27 -4.122 10.869 7.500 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.483 11.001 5.131 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.274 11.080 8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.515 11.341 6.824 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.331 9.174 5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.690 8.964 6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.357 8.449 8.706 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.839 9.377 8.592 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.531 6.579 8.021 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.180 9.488 6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.540 8.591 6.205 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.281 5.434 7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.597 6.306 6.347 1.00 0.00 H new ATOM 382 N GLN A 28 -5.907 13.802 6.855 1.00 0.00 N ATOM 383 CA GLN A 28 -6.268 15.209 6.728 1.00 0.00 C ATOM 384 C GLN A 28 -5.612 15.831 5.500 1.00 0.00 C ATOM 385 O GLN A 28 -6.286 16.412 4.649 1.00 0.00 O ATOM 386 CB GLN A 28 -5.857 15.978 7.985 1.00 0.00 C ATOM 387 CG GLN A 28 -6.678 17.235 8.224 1.00 0.00 C ATOM 388 CD GLN A 28 -8.167 16.958 8.282 1.00 0.00 C ATOM 389 OE1 GLN A 28 -8.651 16.292 9.198 1.00 0.00 O ATOM 390 NE2 GLN A 28 -8.903 17.468 7.302 1.00 0.00 N ATOM 0 H GLN A 28 -5.662 13.513 7.802 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.350 15.271 6.610 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.952 15.322 8.850 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.805 16.251 7.906 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.362 17.698 9.159 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.477 17.952 7.429 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.460 18.014 6.563 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.911 17.314 7.288 1.00 0.00 H new ATOM 399 N LYS A 29 -4.292 15.705 5.413 1.00 0.00 N ATOM 400 CA LYS A 29 -3.543 16.253 4.289 1.00 0.00 C ATOM 401 C LYS A 29 -4.085 15.726 2.964 1.00 0.00 C ATOM 402 O LYS A 29 -4.307 16.490 2.025 1.00 0.00 O ATOM 403 CB LYS A 29 -2.059 15.904 4.419 1.00 0.00 C ATOM 404 CG LYS A 29 -1.254 16.943 5.182 1.00 0.00 C ATOM 405 CD LYS A 29 0.198 16.522 5.334 1.00 0.00 C ATOM 406 CE LYS A 29 1.046 17.019 4.173 1.00 0.00 C ATOM 407 NZ LYS A 29 1.329 18.477 4.278 1.00 0.00 N ATOM 0 H LYS A 29 -3.719 15.228 6.108 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.658 17.337 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.963 14.942 4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.633 15.787 3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.304 17.899 4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.695 17.095 6.167 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.596 16.914 6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.259 15.435 5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.986 16.467 4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.531 16.816 3.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.067 18.738 3.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.462 19.014 4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.656 18.699 5.240 1.00 0.00 H new ATOM 421 N ILE A 30 -4.299 14.416 2.897 1.00 0.00 N ATOM 422 CA ILE A 30 -4.818 13.788 1.689 1.00 0.00 C ATOM 423 C ILE A 30 -6.235 14.265 1.386 1.00 0.00 C ATOM 424 O ILE A 30 -6.646 14.329 0.227 1.00 0.00 O ATOM 425 CB ILE A 30 -4.820 12.252 1.809 1.00 0.00 C ATOM 426 CG1 ILE A 30 -3.396 11.707 1.684 1.00 0.00 C ATOM 427 CG2 ILE A 30 -5.722 11.640 0.748 1.00 0.00 C ATOM 428 CD1 ILE A 30 -3.300 10.213 1.898 1.00 0.00 C ATOM 0 H ILE A 30 -4.121 13.769 3.665 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.157 14.080 0.873 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.208 11.979 2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.008 11.950 0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.758 12.212 2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.713 10.554 0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.740 12.008 0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.360 11.919 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.262 9.897 1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.657 9.965 2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.912 9.699 1.156 1.00 0.00 H new ATOM 440 N LEU A 31 -6.976 14.600 2.436 1.00 0.00 N ATOM 441 CA LEU A 31 -8.348 15.074 2.284 1.00 0.00 C ATOM 442 C LEU A 31 -8.373 16.536 1.849 1.00 0.00 C ATOM 443 O LEU A 31 -9.220 16.942 1.053 1.00 0.00 O ATOM 444 CB LEU A 31 -9.115 14.907 3.597 1.00 0.00 C ATOM 445 CG LEU A 31 -10.572 15.370 3.586 1.00 0.00 C ATOM 446 CD1 LEU A 31 -11.487 14.242 3.132 1.00 0.00 C ATOM 447 CD2 LEU A 31 -10.983 15.871 4.963 1.00 0.00 C ATOM 0 H LEU A 31 -6.651 14.552 3.402 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.830 14.475 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.091 13.854 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.586 15.456 4.376 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.666 16.194 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.520 14.590 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.208 13.930 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.390 13.398 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.023 16.196 4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.873 15.067 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.348 16.709 5.250 1.00 0.00 H new ATOM 459 N ASP A 32 -7.440 17.321 2.374 1.00 0.00 N ATOM 460 CA ASP A 32 -7.353 18.737 2.038 1.00 0.00 C ATOM 461 C ASP A 32 -6.951 18.925 0.578 1.00 0.00 C ATOM 462 O ASP A 32 -7.227 19.964 -0.024 1.00 0.00 O ATOM 463 CB ASP A 32 -6.347 19.439 2.951 1.00 0.00 C ATOM 464 CG ASP A 32 -6.990 19.984 4.211 1.00 0.00 C ATOM 465 OD1 ASP A 32 -8.062 19.474 4.597 1.00 0.00 O ATOM 466 OD2 ASP A 32 -6.422 20.922 4.810 1.00 0.00 O ATOM 0 H ASP A 32 -6.732 17.001 3.035 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.337 19.181 2.186 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.558 18.738 3.223 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.874 20.256 2.406 1.00 0.00 H new ATOM 471 N LEU A 33 -6.298 17.915 0.015 1.00 0.00 N ATOM 472 CA LEU A 33 -5.858 17.969 -1.375 1.00 0.00 C ATOM 473 C LEU A 33 -6.981 17.554 -2.319 1.00 0.00 C ATOM 474 O LEU A 33 -7.149 18.133 -3.394 1.00 0.00 O ATOM 475 CB LEU A 33 -4.643 17.063 -1.581 1.00 0.00 C ATOM 476 CG LEU A 33 -4.078 17.009 -3.001 1.00 0.00 C ATOM 477 CD1 LEU A 33 -3.495 18.357 -3.395 1.00 0.00 C ATOM 478 CD2 LEU A 33 -3.025 15.917 -3.115 1.00 0.00 C ATOM 0 H LEU A 33 -6.061 17.049 0.499 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.580 18.998 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.851 17.393 -0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.915 16.051 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.892 16.774 -3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.098 18.299 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.275 19.117 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.693 18.622 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.634 15.893 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.212 16.121 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.473 14.953 -2.876 1.00 0.00 H new ATOM 490 N LEU A 34 -7.750 16.550 -1.911 1.00 0.00 N ATOM 491 CA LEU A 34 -8.860 16.059 -2.719 1.00 0.00 C ATOM 492 C LEU A 34 -9.963 17.108 -2.824 1.00 0.00 C ATOM 493 O LEU A 34 -10.774 17.079 -3.749 1.00 0.00 O ATOM 494 CB LEU A 34 -9.422 14.769 -2.119 1.00 0.00 C ATOM 495 CG LEU A 34 -8.486 13.560 -2.130 1.00 0.00 C ATOM 496 CD1 LEU A 34 -8.820 12.617 -0.985 1.00 0.00 C ATOM 497 CD2 LEU A 34 -8.569 12.834 -3.464 1.00 0.00 C ATOM 0 H LEU A 34 -7.625 16.060 -1.025 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.484 15.852 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.713 14.968 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.330 14.505 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.464 13.914 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.144 11.762 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.708 13.142 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.848 12.269 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.896 11.976 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.591 12.492 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.280 13.513 -4.266 1.00 0.00 H new ATOM 509 N ASN A 35 -9.985 18.033 -1.871 1.00 0.00 N ATOM 510 CA ASN A 35 -10.987 19.093 -1.857 1.00 0.00 C ATOM 511 C ASN A 35 -10.429 20.378 -2.461 1.00 0.00 C ATOM 512 O ASN A 35 -11.014 20.946 -3.383 1.00 0.00 O ATOM 513 CB ASN A 35 -11.464 19.353 -0.426 1.00 0.00 C ATOM 514 CG ASN A 35 -12.594 18.429 -0.015 1.00 0.00 C ATOM 515 OD1 ASN A 35 -13.425 18.043 -0.838 1.00 0.00 O ATOM 516 ND2 ASN A 35 -12.628 18.069 1.262 1.00 0.00 N ATOM 0 H ASN A 35 -9.321 18.071 -1.098 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.833 18.767 -2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.627 19.227 0.261 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.795 20.388 -0.339 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.364 17.448 1.597 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.918 18.414 1.908 1.00 0.00 H new ATOM 523 N GLU A 36 -9.295 20.829 -1.935 1.00 0.00 N ATOM 524 CA GLU A 36 -8.658 22.046 -2.423 1.00 0.00 C ATOM 525 C GLU A 36 -7.883 21.777 -3.709 1.00 0.00 C ATOM 526 O GLU A 36 -7.794 22.637 -4.585 1.00 0.00 O ATOM 527 CB GLU A 36 -7.720 22.619 -1.359 1.00 0.00 C ATOM 528 CG GLU A 36 -8.370 22.777 0.005 1.00 0.00 C ATOM 529 CD GLU A 36 -7.489 23.522 0.989 1.00 0.00 C ATOM 530 OE1 GLU A 36 -6.887 24.542 0.590 1.00 0.00 O ATOM 531 OE2 GLU A 36 -7.401 23.087 2.156 1.00 0.00 O ATOM 0 H GLU A 36 -8.799 20.370 -1.171 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.440 22.774 -2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.851 21.968 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.356 23.590 -1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.315 23.309 -0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.605 21.792 0.407 1.00 0.00 H new ATOM 538 N GLY A 37 -7.322 20.576 -3.815 1.00 0.00 N ATOM 539 CA GLY A 37 -6.561 20.214 -4.997 1.00 0.00 C ATOM 540 C GLY A 37 -7.449 19.869 -6.176 1.00 0.00 C ATOM 541 O GLY A 37 -8.596 19.459 -5.998 1.00 0.00 O ATOM 0 H GLY A 37 -7.381 19.847 -3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.905 21.041 -5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.921 19.362 -4.767 1.00 0.00 H new ATOM 545 N SER A 38 -6.919 20.037 -7.383 1.00 0.00 N ATOM 546 CA SER A 38 -7.674 19.745 -8.596 1.00 0.00 C ATOM 547 C SER A 38 -7.264 18.396 -9.180 1.00 0.00 C ATOM 548 O SER A 38 -6.205 17.861 -8.851 1.00 0.00 O ATOM 549 CB SER A 38 -7.459 20.849 -9.634 1.00 0.00 C ATOM 550 OG SER A 38 -7.710 22.127 -9.077 1.00 0.00 O ATOM 0 H SER A 38 -5.970 20.374 -7.547 1.00 0.00 H new ATOM 0 HA SER A 38 -8.731 19.702 -8.335 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.436 20.806 -10.009 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.118 20.684 -10.487 1.00 0.00 H new ATOM 0 HG SER A 38 -7.564 22.815 -9.759 1.00 0.00 H new ATOM 556 N ALA A 39 -8.110 17.852 -10.048 1.00 0.00 N ATOM 557 CA ALA A 39 -7.836 16.567 -10.679 1.00 0.00 C ATOM 558 C ALA A 39 -6.357 16.428 -11.021 1.00 0.00 C ATOM 559 O ALA A 39 -5.654 15.595 -10.450 1.00 0.00 O ATOM 560 CB ALA A 39 -8.687 16.402 -11.930 1.00 0.00 C ATOM 0 H ALA A 39 -8.991 18.281 -10.330 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.094 15.780 -9.971 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.472 15.438 -12.391 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.742 16.449 -11.661 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.457 17.201 -12.635 1.00 0.00 H new ATOM 566 N ARG A 40 -5.891 17.248 -11.957 1.00 0.00 N ATOM 567 CA ARG A 40 -4.495 17.215 -12.377 1.00 0.00 C ATOM 568 C ARG A 40 -3.567 17.114 -11.170 1.00 0.00 C ATOM 569 O ARG A 40 -2.705 16.237 -11.108 1.00 0.00 O ATOM 570 CB ARG A 40 -4.155 18.464 -13.192 1.00 0.00 C ATOM 571 CG ARG A 40 -3.043 18.246 -14.205 1.00 0.00 C ATOM 572 CD ARG A 40 -3.523 17.430 -15.394 1.00 0.00 C ATOM 573 NE ARG A 40 -4.544 18.135 -16.165 1.00 0.00 N ATOM 574 CZ ARG A 40 -4.296 19.213 -16.900 1.00 0.00 C ATOM 575 NH1 ARG A 40 -3.067 19.707 -16.965 1.00 0.00 N ATOM 576 NH2 ARG A 40 -5.278 19.799 -17.574 1.00 0.00 N ATOM 0 H ARG A 40 -6.460 17.944 -12.439 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.350 16.333 -13.000 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.050 18.801 -13.715 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.863 19.264 -12.511 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.671 19.210 -14.551 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.208 17.735 -13.726 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.676 17.198 -16.040 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.925 16.480 -15.043 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.500 17.780 -16.137 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.309 19.259 -16.450 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.879 20.535 -17.530 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.224 19.421 -17.528 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.086 20.627 -18.138 1.00 0.00 H new ATOM 590 N ASP A 41 -3.749 18.018 -10.214 1.00 0.00 N ATOM 591 CA ASP A 41 -2.929 18.032 -9.008 1.00 0.00 C ATOM 592 C ASP A 41 -2.963 16.674 -8.312 1.00 0.00 C ATOM 593 O ASP A 41 -1.924 16.135 -7.929 1.00 0.00 O ATOM 594 CB ASP A 41 -3.411 19.122 -8.049 1.00 0.00 C ATOM 595 CG ASP A 41 -3.478 20.485 -8.710 1.00 0.00 C ATOM 596 OD1 ASP A 41 -4.219 20.627 -9.705 1.00 0.00 O ATOM 597 OD2 ASP A 41 -2.790 21.410 -8.231 1.00 0.00 O ATOM 0 H ASP A 41 -4.457 18.751 -10.251 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.901 18.245 -9.301 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.397 18.857 -7.668 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.740 19.170 -7.191 1.00 0.00 H new ATOM 602 N LEU A 42 -4.163 16.128 -8.152 1.00 0.00 N ATOM 603 CA LEU A 42 -4.334 14.833 -7.501 1.00 0.00 C ATOM 604 C LEU A 42 -3.479 13.767 -8.178 1.00 0.00 C ATOM 605 O LEU A 42 -2.851 12.945 -7.511 1.00 0.00 O ATOM 606 CB LEU A 42 -5.805 14.417 -7.528 1.00 0.00 C ATOM 607 CG LEU A 42 -6.763 15.283 -6.708 1.00 0.00 C ATOM 608 CD1 LEU A 42 -8.207 14.925 -7.023 1.00 0.00 C ATOM 609 CD2 LEU A 42 -6.485 15.125 -5.221 1.00 0.00 C ATOM 0 H LEU A 42 -5.032 16.561 -8.464 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.009 14.929 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.143 14.418 -8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.878 13.390 -7.170 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.601 16.326 -6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.875 15.551 -6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.400 15.090 -8.083 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.383 13.877 -6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.176 15.748 -4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.619 14.082 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.461 15.432 -5.008 1.00 0.00 H new ATOM 621 N ARG A 43 -3.458 13.788 -9.507 1.00 0.00 N ATOM 622 CA ARG A 43 -2.680 12.824 -10.274 1.00 0.00 C ATOM 623 C ARG A 43 -1.317 12.589 -9.629 1.00 0.00 C ATOM 624 O ARG A 43 -0.778 11.483 -9.679 1.00 0.00 O ATOM 625 CB ARG A 43 -2.498 13.312 -11.713 1.00 0.00 C ATOM 626 CG ARG A 43 -3.808 13.585 -12.433 1.00 0.00 C ATOM 627 CD ARG A 43 -3.608 13.674 -13.938 1.00 0.00 C ATOM 628 NE ARG A 43 -2.509 14.568 -14.293 1.00 0.00 N ATOM 629 CZ ARG A 43 -1.930 14.582 -15.488 1.00 0.00 C ATOM 630 NH1 ARG A 43 -2.343 13.754 -16.438 1.00 0.00 N ATOM 631 NH2 ARG A 43 -0.935 15.425 -15.734 1.00 0.00 N ATOM 0 H ARG A 43 -3.971 14.463 -10.074 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.226 11.881 -10.284 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.900 14.223 -11.706 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.934 12.565 -12.272 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.521 12.793 -12.206 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.239 14.517 -12.066 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.409 12.679 -14.337 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.527 14.027 -14.405 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.167 15.217 -13.584 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.107 13.104 -16.252 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.897 13.767 -17.355 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.615 16.062 -15.005 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.491 15.435 -16.652 1.00 0.00 H new ATOM 645 N SER A 44 -0.766 13.636 -9.025 1.00 0.00 N ATOM 646 CA SER A 44 0.536 13.546 -8.374 1.00 0.00 C ATOM 647 C SER A 44 0.523 12.484 -7.279 1.00 0.00 C ATOM 648 O SER A 44 1.460 11.694 -7.152 1.00 0.00 O ATOM 649 CB SER A 44 0.929 14.900 -7.782 1.00 0.00 C ATOM 650 OG SER A 44 1.319 15.808 -8.799 1.00 0.00 O ATOM 0 H SER A 44 -1.201 14.557 -8.973 1.00 0.00 H new ATOM 0 HA SER A 44 1.271 13.259 -9.126 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.089 15.314 -7.223 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.748 14.767 -7.075 1.00 0.00 H new ATOM 0 HG SER A 44 1.564 16.667 -8.395 1.00 0.00 H new ATOM 656 N LEU A 45 -0.545 12.471 -6.489 1.00 0.00 N ATOM 657 CA LEU A 45 -0.682 11.506 -5.403 1.00 0.00 C ATOM 658 C LEU A 45 -0.326 10.100 -5.876 1.00 0.00 C ATOM 659 O LEU A 45 -0.531 9.756 -7.040 1.00 0.00 O ATOM 660 CB LEU A 45 -2.110 11.526 -4.855 1.00 0.00 C ATOM 661 CG LEU A 45 -2.439 12.657 -3.880 1.00 0.00 C ATOM 662 CD1 LEU A 45 -3.921 12.656 -3.541 1.00 0.00 C ATOM 663 CD2 LEU A 45 -1.601 12.532 -2.615 1.00 0.00 C ATOM 0 H LEU A 45 -1.329 13.118 -6.580 1.00 0.00 H new ATOM 0 HA LEU A 45 0.010 11.788 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.800 11.587 -5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.299 10.576 -4.355 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.198 13.605 -4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.136 13.468 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.503 12.795 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.188 11.705 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.849 13.345 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.810 11.577 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.543 12.584 -2.873 1.00 0.00 H new ATOM 675 N GLN A 46 0.205 9.292 -4.964 1.00 0.00 N ATOM 676 CA GLN A 46 0.588 7.923 -5.288 1.00 0.00 C ATOM 677 C GLN A 46 -0.643 7.037 -5.450 1.00 0.00 C ATOM 678 O GLN A 46 -1.600 7.142 -4.682 1.00 0.00 O ATOM 679 CB GLN A 46 1.500 7.355 -4.200 1.00 0.00 C ATOM 680 CG GLN A 46 2.795 8.132 -4.024 1.00 0.00 C ATOM 681 CD GLN A 46 3.939 7.259 -3.547 1.00 0.00 C ATOM 682 OE1 GLN A 46 3.724 6.180 -2.994 1.00 0.00 O ATOM 683 NE2 GLN A 46 5.165 7.723 -3.759 1.00 0.00 N ATOM 0 H GLN A 46 0.380 9.561 -3.996 1.00 0.00 H new ATOM 0 HA GLN A 46 1.129 7.938 -6.234 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.960 7.346 -3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.738 6.319 -4.441 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.068 8.596 -4.972 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.636 8.939 -3.309 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.297 8.623 -4.221 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.975 7.180 -3.460 1.00 0.00 H new ATOM 692 N ARG A 47 -0.612 6.166 -6.453 1.00 0.00 N ATOM 693 CA ARG A 47 -1.726 5.263 -6.716 1.00 0.00 C ATOM 694 C ARG A 47 -2.914 6.022 -7.301 1.00 0.00 C ATOM 695 O ARG A 47 -4.062 5.597 -7.166 1.00 0.00 O ATOM 696 CB ARG A 47 -2.146 4.549 -5.430 1.00 0.00 C ATOM 697 CG ARG A 47 -0.976 4.022 -4.616 1.00 0.00 C ATOM 698 CD ARG A 47 -0.557 2.635 -5.077 1.00 0.00 C ATOM 699 NE ARG A 47 0.347 2.688 -6.223 1.00 0.00 N ATOM 700 CZ ARG A 47 0.684 1.624 -6.943 1.00 0.00 C ATOM 701 NH1 ARG A 47 0.194 0.430 -6.638 1.00 0.00 N ATOM 702 NH2 ARG A 47 1.512 1.753 -7.972 1.00 0.00 N ATOM 0 H ARG A 47 0.173 6.066 -7.097 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.396 4.521 -7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.725 5.238 -4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.804 3.718 -5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.132 4.706 -4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.250 3.989 -3.562 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.069 2.112 -4.255 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.443 2.058 -5.341 1.00 0.00 H new ATOM 0 HE ARG A 47 0.741 3.592 -6.485 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.444 0.327 -5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.455 -0.385 -7.193 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.890 2.670 -8.210 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.770 0.935 -8.524 1.00 0.00 H new ATOM 716 N ILE A 48 -2.630 7.147 -7.949 1.00 0.00 N ATOM 717 CA ILE A 48 -3.675 7.964 -8.554 1.00 0.00 C ATOM 718 C ILE A 48 -3.314 8.346 -9.985 1.00 0.00 C ATOM 719 O ILE A 48 -2.155 8.621 -10.292 1.00 0.00 O ATOM 720 CB ILE A 48 -3.929 9.246 -7.740 1.00 0.00 C ATOM 721 CG1 ILE A 48 -4.200 8.901 -6.274 1.00 0.00 C ATOM 722 CG2 ILE A 48 -5.093 10.027 -8.331 1.00 0.00 C ATOM 723 CD1 ILE A 48 -5.529 8.212 -6.052 1.00 0.00 C ATOM 0 H ILE A 48 -1.686 7.513 -8.068 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.583 7.362 -8.560 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.037 9.871 -7.787 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.400 8.258 -5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.171 9.816 -5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.260 10.930 -7.745 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.862 10.300 -9.361 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.992 9.411 -8.312 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.655 7.997 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.337 8.862 -6.389 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.554 7.280 -6.616 1.00 0.00 H new ATOM 735 N GLY A 49 -4.317 8.364 -10.858 1.00 0.00 N ATOM 736 CA GLY A 49 -4.085 8.716 -12.247 1.00 0.00 C ATOM 737 C GLY A 49 -5.002 9.824 -12.725 1.00 0.00 C ATOM 738 O GLY A 49 -5.654 10.504 -11.932 1.00 0.00 O ATOM 0 H GLY A 49 -5.285 8.141 -10.628 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.048 9.028 -12.371 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.230 7.834 -12.871 1.00 0.00 H new ATOM 742 N PRO A 50 -5.060 10.019 -14.050 1.00 0.00 N ATOM 743 CA PRO A 50 -5.900 11.053 -14.663 1.00 0.00 C ATOM 744 C PRO A 50 -7.387 10.735 -14.546 1.00 0.00 C ATOM 745 O PRO A 50 -8.216 11.635 -14.409 1.00 0.00 O ATOM 746 CB PRO A 50 -5.465 11.041 -16.130 1.00 0.00 C ATOM 747 CG PRO A 50 -4.933 9.668 -16.356 1.00 0.00 C ATOM 748 CD PRO A 50 -4.310 9.245 -15.054 1.00 0.00 C ATOM 0 HA PRO A 50 -5.776 12.020 -14.176 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.303 11.255 -16.793 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.704 11.797 -16.324 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.730 8.984 -16.648 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.198 9.662 -17.161 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.410 8.172 -14.891 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.245 9.474 -15.025 1.00 0.00 H new ATOM 756 N LYS A 51 -7.719 9.450 -14.600 1.00 0.00 N ATOM 757 CA LYS A 51 -9.106 9.012 -14.498 1.00 0.00 C ATOM 758 C LYS A 51 -9.647 9.239 -13.090 1.00 0.00 C ATOM 759 O LYS A 51 -10.580 10.016 -12.889 1.00 0.00 O ATOM 760 CB LYS A 51 -9.224 7.532 -14.869 1.00 0.00 C ATOM 761 CG LYS A 51 -8.882 7.240 -16.319 1.00 0.00 C ATOM 762 CD LYS A 51 -10.051 7.544 -17.241 1.00 0.00 C ATOM 763 CE LYS A 51 -11.107 6.452 -17.181 1.00 0.00 C ATOM 764 NZ LYS A 51 -12.205 6.688 -18.159 1.00 0.00 N ATOM 0 H LYS A 51 -7.046 8.692 -14.714 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.699 9.603 -15.195 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.564 6.951 -14.225 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.242 7.196 -14.670 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.019 7.835 -16.617 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.599 6.193 -16.423 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.497 8.499 -16.962 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.691 7.648 -18.265 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.643 5.486 -17.382 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.522 6.403 -16.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.905 5.922 -18.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.665 7.598 -17.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.813 6.710 -19.122 1.00 0.00 H new ATOM 778 N LYS A 52 -9.053 8.557 -12.116 1.00 0.00 N ATOM 779 CA LYS A 52 -9.472 8.685 -10.726 1.00 0.00 C ATOM 780 C LYS A 52 -9.514 10.150 -10.303 1.00 0.00 C ATOM 781 O LYS A 52 -10.496 10.610 -9.721 1.00 0.00 O ATOM 782 CB LYS A 52 -8.523 7.907 -9.811 1.00 0.00 C ATOM 783 CG LYS A 52 -8.802 6.414 -9.773 1.00 0.00 C ATOM 784 CD LYS A 52 -7.538 5.617 -9.499 1.00 0.00 C ATOM 785 CE LYS A 52 -7.840 4.136 -9.328 1.00 0.00 C ATOM 786 NZ LYS A 52 -7.910 3.430 -10.637 1.00 0.00 N ATOM 0 H LYS A 52 -8.279 7.909 -12.265 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.476 8.269 -10.636 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.498 8.068 -10.144 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.597 8.308 -8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.542 6.201 -9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.233 6.099 -10.723 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.835 5.754 -10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.055 5.997 -8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.069 3.677 -8.709 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.786 4.017 -8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.118 2.423 -10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.662 3.851 -11.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.999 3.522 -11.130 1.00 0.00 H new ATOM 800 N ALA A 53 -8.444 10.878 -10.602 1.00 0.00 N ATOM 801 CA ALA A 53 -8.361 12.292 -10.256 1.00 0.00 C ATOM 802 C ALA A 53 -9.673 13.008 -10.554 1.00 0.00 C ATOM 803 O ALA A 53 -10.250 13.655 -9.681 1.00 0.00 O ATOM 804 CB ALA A 53 -7.214 12.953 -11.007 1.00 0.00 C ATOM 0 H ALA A 53 -7.622 10.512 -11.083 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.171 12.368 -9.185 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.164 14.008 -10.739 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.276 12.466 -10.740 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.380 12.859 -12.080 1.00 0.00 H new ATOM 810 N GLN A 54 -10.139 12.889 -11.793 1.00 0.00 N ATOM 811 CA GLN A 54 -11.383 13.526 -12.206 1.00 0.00 C ATOM 812 C GLN A 54 -12.578 12.903 -11.492 1.00 0.00 C ATOM 813 O GLN A 54 -13.405 13.608 -10.912 1.00 0.00 O ATOM 814 CB GLN A 54 -11.562 13.410 -13.721 1.00 0.00 C ATOM 815 CG GLN A 54 -10.640 14.322 -14.515 1.00 0.00 C ATOM 816 CD GLN A 54 -11.148 15.749 -14.582 1.00 0.00 C ATOM 817 OE1 GLN A 54 -12.202 16.072 -14.033 1.00 0.00 O ATOM 818 NE2 GLN A 54 -10.398 16.612 -15.258 1.00 0.00 N ATOM 0 H GLN A 54 -9.673 12.357 -12.528 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.329 14.580 -11.933 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.384 12.377 -14.021 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.596 13.643 -13.975 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.649 14.314 -14.062 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.531 13.931 -15.527 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.532 16.300 -15.697 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.688 17.587 -15.338 1.00 0.00 H new ATOM 827 N LEU A 55 -12.662 11.578 -11.537 1.00 0.00 N ATOM 828 CA LEU A 55 -13.756 10.859 -10.894 1.00 0.00 C ATOM 829 C LEU A 55 -14.062 11.448 -9.520 1.00 0.00 C ATOM 830 O LEU A 55 -15.225 11.624 -9.154 1.00 0.00 O ATOM 831 CB LEU A 55 -13.408 9.375 -10.759 1.00 0.00 C ATOM 832 CG LEU A 55 -13.307 8.589 -12.066 1.00 0.00 C ATOM 833 CD1 LEU A 55 -12.920 7.144 -11.791 1.00 0.00 C ATOM 834 CD2 LEU A 55 -14.620 8.654 -12.832 1.00 0.00 C ATOM 0 H LEU A 55 -11.986 10.980 -12.012 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.643 10.963 -11.519 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.457 9.292 -10.234 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.162 8.901 -10.130 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.529 9.042 -12.680 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.853 6.600 -12.733 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.954 7.116 -11.286 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.675 6.680 -11.157 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.529 8.089 -13.759 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.418 8.227 -12.224 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.856 9.693 -13.062 1.00 0.00 H new ATOM 846 N ILE A 56 -13.012 11.752 -8.766 1.00 0.00 N ATOM 847 CA ILE A 56 -13.169 12.325 -7.434 1.00 0.00 C ATOM 848 C ILE A 56 -13.620 13.779 -7.511 1.00 0.00 C ATOM 849 O ILE A 56 -14.480 14.215 -6.745 1.00 0.00 O ATOM 850 CB ILE A 56 -11.857 12.248 -6.631 1.00 0.00 C ATOM 851 CG1 ILE A 56 -11.402 10.794 -6.494 1.00 0.00 C ATOM 852 CG2 ILE A 56 -12.038 12.883 -5.260 1.00 0.00 C ATOM 853 CD1 ILE A 56 -9.900 10.637 -6.392 1.00 0.00 C ATOM 0 H ILE A 56 -12.044 11.612 -9.054 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.933 11.737 -6.925 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.086 12.801 -7.168 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.866 10.359 -5.609 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.761 10.227 -7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -11.103 12.821 -4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.321 13.929 -5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.820 12.354 -4.715 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.650 9.580 -6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.430 11.042 -7.288 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.536 11.176 -5.517 1.00 0.00 H new ATOM 865 N VAL A 57 -13.035 14.527 -8.442 1.00 0.00 N ATOM 866 CA VAL A 57 -13.379 15.932 -8.621 1.00 0.00 C ATOM 867 C VAL A 57 -14.811 16.088 -9.120 1.00 0.00 C ATOM 868 O VAL A 57 -15.661 16.653 -8.433 1.00 0.00 O ATOM 869 CB VAL A 57 -12.424 16.621 -9.613 1.00 0.00 C ATOM 870 CG1 VAL A 57 -12.926 18.015 -9.958 1.00 0.00 C ATOM 871 CG2 VAL A 57 -11.015 16.680 -9.042 1.00 0.00 C ATOM 0 H VAL A 57 -12.321 14.183 -9.084 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.283 16.408 -7.645 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.396 16.033 -10.531 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.238 18.486 -10.660 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -13.915 17.944 -10.411 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.985 18.615 -9.050 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.353 17.170 -9.756 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.024 17.244 -8.109 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.657 15.668 -8.851 1.00 0.00 H new ATOM 881 N GLY A 58 -15.072 15.582 -10.322 1.00 0.00 N ATOM 882 CA GLY A 58 -16.403 15.674 -10.893 1.00 0.00 C ATOM 883 C GLY A 58 -17.488 15.314 -9.898 1.00 0.00 C ATOM 884 O GLY A 58 -18.640 15.716 -10.053 1.00 0.00 O ATOM 0 H GLY A 58 -14.385 15.110 -10.910 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.570 16.688 -11.256 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.471 15.011 -11.756 1.00 0.00 H new ATOM 888 N TRP A 59 -17.119 14.552 -8.874 1.00 0.00 N ATOM 889 CA TRP A 59 -18.070 14.135 -7.850 1.00 0.00 C ATOM 890 C TRP A 59 -18.327 15.261 -6.855 1.00 0.00 C ATOM 891 O TRP A 59 -19.450 15.752 -6.735 1.00 0.00 O ATOM 892 CB TRP A 59 -17.551 12.898 -7.116 1.00 0.00 C ATOM 893 CG TRP A 59 -18.515 12.361 -6.102 1.00 0.00 C ATOM 894 CD1 TRP A 59 -18.739 12.848 -4.846 1.00 0.00 C ATOM 895 CD2 TRP A 59 -19.383 11.233 -6.257 1.00 0.00 C ATOM 896 NE1 TRP A 59 -19.695 12.091 -4.211 1.00 0.00 N ATOM 897 CE2 TRP A 59 -20.106 11.095 -5.056 1.00 0.00 C ATOM 898 CE3 TRP A 59 -19.622 10.328 -7.295 1.00 0.00 C ATOM 899 CZ2 TRP A 59 -21.048 10.087 -4.867 1.00 0.00 C ATOM 900 CZ3 TRP A 59 -20.558 9.329 -7.105 1.00 0.00 C ATOM 901 CH2 TRP A 59 -21.262 9.215 -5.899 1.00 0.00 C ATOM 0 H TRP A 59 -16.169 14.211 -8.731 1.00 0.00 H new ATOM 0 HA TRP A 59 -19.011 13.889 -8.342 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -17.329 12.118 -7.845 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -16.613 13.146 -6.619 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -18.239 13.702 -4.415 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -20.042 12.246 -3.264 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -19.085 10.408 -8.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -21.591 9.997 -3.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.750 8.624 -7.900 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -21.987 8.424 -5.782 1.00 0.00 H new ATOM 912 N ARG A 60 -17.280 15.667 -6.144 1.00 0.00 N ATOM 913 CA ARG A 60 -17.394 16.736 -5.159 1.00 0.00 C ATOM 914 C ARG A 60 -18.015 17.984 -5.779 1.00 0.00 C ATOM 915 O ARG A 60 -18.788 18.690 -5.133 1.00 0.00 O ATOM 916 CB ARG A 60 -16.019 17.071 -4.578 1.00 0.00 C ATOM 917 CG ARG A 60 -15.019 17.549 -5.618 1.00 0.00 C ATOM 918 CD ARG A 60 -13.718 18.002 -4.974 1.00 0.00 C ATOM 919 NE ARG A 60 -13.856 19.298 -4.315 1.00 0.00 N ATOM 920 CZ ARG A 60 -14.046 20.439 -4.969 1.00 0.00 C ATOM 921 NH1 ARG A 60 -14.121 20.443 -6.293 1.00 0.00 N ATOM 922 NH2 ARG A 60 -14.162 21.578 -4.298 1.00 0.00 N ATOM 0 H ARG A 60 -16.344 15.272 -6.232 1.00 0.00 H new ATOM 0 HA ARG A 60 -18.045 16.389 -4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -16.134 17.841 -3.816 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -15.619 16.187 -4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.815 16.745 -6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.450 18.372 -6.187 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.395 17.258 -4.246 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.939 18.063 -5.734 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.804 19.329 -3.297 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.033 19.569 -6.811 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.267 21.320 -6.793 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.105 21.578 -3.280 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.308 22.453 -4.801 1.00 0.00 H new ATOM 936 N GLU A 61 -17.670 18.248 -7.035 1.00 0.00 N ATOM 937 CA GLU A 61 -18.192 19.412 -7.742 1.00 0.00 C ATOM 938 C GLU A 61 -19.703 19.525 -7.561 1.00 0.00 C ATOM 939 O GLU A 61 -20.244 20.624 -7.432 1.00 0.00 O ATOM 940 CB GLU A 61 -17.851 19.328 -9.231 1.00 0.00 C ATOM 941 CG GLU A 61 -16.469 19.862 -9.570 1.00 0.00 C ATOM 942 CD GLU A 61 -16.457 21.365 -9.768 1.00 0.00 C ATOM 943 OE1 GLU A 61 -16.491 22.098 -8.757 1.00 0.00 O ATOM 944 OE2 GLU A 61 -16.414 21.809 -10.935 1.00 0.00 O ATOM 0 H GLU A 61 -17.032 17.672 -7.584 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.725 20.301 -7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.919 18.289 -9.553 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.596 19.886 -9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -15.776 19.599 -8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.109 19.377 -10.477 1.00 0.00 H new ATOM 951 N LEU A 62 -20.379 18.381 -7.552 1.00 0.00 N ATOM 952 CA LEU A 62 -21.828 18.350 -7.387 1.00 0.00 C ATOM 953 C LEU A 62 -22.206 18.002 -5.951 1.00 0.00 C ATOM 954 O LEU A 62 -22.827 18.802 -5.250 1.00 0.00 O ATOM 955 CB LEU A 62 -22.449 17.335 -8.349 1.00 0.00 C ATOM 956 CG LEU A 62 -22.447 17.724 -9.828 1.00 0.00 C ATOM 957 CD1 LEU A 62 -22.977 16.583 -10.681 1.00 0.00 C ATOM 958 CD2 LEU A 62 -23.270 18.985 -10.049 1.00 0.00 C ATOM 0 H LEU A 62 -19.947 17.463 -7.657 1.00 0.00 H new ATOM 0 HA LEU A 62 -22.216 19.343 -7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -21.917 16.390 -8.242 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -23.480 17.157 -8.042 1.00 0.00 H new ATOM 0 HG LEU A 62 -21.419 17.928 -10.129 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -22.968 16.878 -11.730 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -22.346 15.704 -10.546 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -23.997 16.347 -10.379 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -23.257 19.247 -11.107 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -24.298 18.809 -9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -22.845 19.803 -9.468 1.00 0.00 H new ATOM 970 N HIS A 63 -21.824 16.805 -5.517 1.00 0.00 N ATOM 971 CA HIS A 63 -22.120 16.353 -4.162 1.00 0.00 C ATOM 972 C HIS A 63 -21.526 17.305 -3.129 1.00 0.00 C ATOM 973 O HIS A 63 -22.191 17.687 -2.167 1.00 0.00 O ATOM 974 CB HIS A 63 -21.577 14.940 -3.943 1.00 0.00 C ATOM 975 CG HIS A 63 -22.180 13.918 -4.856 1.00 0.00 C ATOM 976 ND1 HIS A 63 -21.861 13.564 -6.123 1.00 0.00 N flip ATOM 977 CD2 HIS A 63 -23.248 13.124 -4.496 1.00 0.00 C flip ATOM 978 CE1 HIS A 63 -22.732 12.571 -6.500 1.00 0.00 C flip ATOM 979 NE2 HIS A 63 -23.558 12.324 -5.500 1.00 0.00 N flip ATOM 0 H HIS A 63 -21.309 16.131 -6.084 1.00 0.00 H new ATOM 0 HA HIS A 63 -23.203 16.341 -4.038 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -20.496 14.949 -4.085 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -21.761 14.645 -2.910 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -23.753 13.152 -3.542 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -22.740 12.073 -7.458 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -24.308 11.633 -5.502 1.00 0.00 H new ATOM 988 N GLY A 64 -20.268 17.685 -3.336 1.00 0.00 N ATOM 989 CA GLY A 64 -19.605 18.588 -2.414 1.00 0.00 C ATOM 990 C GLY A 64 -18.388 17.962 -1.763 1.00 0.00 C ATOM 991 O GLY A 64 -17.845 16.966 -2.241 1.00 0.00 O ATOM 0 H GLY A 64 -19.697 17.383 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.304 19.490 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.309 18.894 -1.641 1.00 0.00 H new ATOM 995 N PRO A 65 -17.940 18.554 -0.645 1.00 0.00 N ATOM 996 CA PRO A 65 -16.773 18.065 0.095 1.00 0.00 C ATOM 997 C PRO A 65 -17.043 16.735 0.791 1.00 0.00 C ATOM 998 O PRO A 65 -18.170 16.454 1.199 1.00 0.00 O ATOM 999 CB PRO A 65 -16.521 19.167 1.128 1.00 0.00 C ATOM 1000 CG PRO A 65 -17.847 19.821 1.314 1.00 0.00 C ATOM 1001 CD PRO A 65 -18.537 19.745 -0.019 1.00 0.00 C ATOM 0 HA PRO A 65 -15.924 17.875 -0.562 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.148 18.754 2.065 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.775 19.878 0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.428 19.313 2.084 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.730 20.856 1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.616 19.642 0.093 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.362 20.642 -0.614 1.00 0.00 H new ATOM 1009 N PHE A 66 -16.002 15.919 0.923 1.00 0.00 N ATOM 1010 CA PHE A 66 -16.128 14.618 1.569 1.00 0.00 C ATOM 1011 C PHE A 66 -15.839 14.723 3.064 1.00 0.00 C ATOM 1012 O PHE A 66 -14.753 15.137 3.469 1.00 0.00 O ATOM 1013 CB PHE A 66 -15.175 13.610 0.923 1.00 0.00 C ATOM 1014 CG PHE A 66 -15.163 13.673 -0.578 1.00 0.00 C ATOM 1015 CD1 PHE A 66 -14.422 14.641 -1.237 1.00 0.00 C ATOM 1016 CD2 PHE A 66 -15.893 12.766 -1.328 1.00 0.00 C ATOM 1017 CE1 PHE A 66 -14.409 14.702 -2.618 1.00 0.00 C ATOM 1018 CE2 PHE A 66 -15.882 12.822 -2.709 1.00 0.00 C ATOM 1019 CZ PHE A 66 -15.141 13.791 -3.355 1.00 0.00 C ATOM 0 H PHE A 66 -15.062 16.136 0.591 1.00 0.00 H new ATOM 0 HA PHE A 66 -17.154 14.273 1.439 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -14.166 13.787 1.294 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -15.457 12.604 1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -13.848 15.356 -0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -16.477 12.007 -0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -13.827 15.461 -3.120 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -16.453 12.107 -3.283 1.00 0.00 H new ATOM 0 HZ PHE A 66 -15.133 13.837 -4.434 1.00 0.00 H new ATOM 1029 N SER A 67 -16.819 14.344 3.878 1.00 0.00 N ATOM 1030 CA SER A 67 -16.672 14.399 5.328 1.00 0.00 C ATOM 1031 C SER A 67 -15.406 13.674 5.774 1.00 0.00 C ATOM 1032 O SER A 67 -14.893 13.914 6.866 1.00 0.00 O ATOM 1033 CB SER A 67 -17.895 13.781 6.009 1.00 0.00 C ATOM 1034 OG SER A 67 -18.915 14.746 6.199 1.00 0.00 O ATOM 0 H SER A 67 -17.723 13.996 3.558 1.00 0.00 H new ATOM 0 HA SER A 67 -16.592 15.446 5.621 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.276 12.959 5.403 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.605 13.360 6.971 1.00 0.00 H new ATOM 0 HG SER A 67 -19.686 14.326 6.634 1.00 0.00 H new ATOM 1040 N GLN A 68 -14.909 12.785 4.919 1.00 0.00 N ATOM 1041 CA GLN A 68 -13.703 12.024 5.225 1.00 0.00 C ATOM 1042 C GLN A 68 -13.098 11.430 3.957 1.00 0.00 C ATOM 1043 O GLN A 68 -13.701 11.484 2.885 1.00 0.00 O ATOM 1044 CB GLN A 68 -14.018 10.910 6.225 1.00 0.00 C ATOM 1045 CG GLN A 68 -15.158 10.004 5.787 1.00 0.00 C ATOM 1046 CD GLN A 68 -15.874 9.360 6.958 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -15.326 9.259 8.056 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -17.105 8.919 6.729 1.00 0.00 N ATOM 0 H GLN A 68 -15.322 12.574 4.011 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.976 12.705 5.668 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.123 10.306 6.378 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -14.269 11.357 7.187 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.873 10.583 5.202 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -14.767 9.225 5.132 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.520 9.024 5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.636 8.476 7.479 1.00 0.00 H new ATOM 1057 N VAL A 69 -11.903 10.863 4.087 1.00 0.00 N ATOM 1058 CA VAL A 69 -11.217 10.258 2.952 1.00 0.00 C ATOM 1059 C VAL A 69 -11.860 8.931 2.565 1.00 0.00 C ATOM 1060 O VAL A 69 -11.945 8.593 1.384 1.00 0.00 O ATOM 1061 CB VAL A 69 -9.726 10.022 3.259 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -8.930 9.891 1.969 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -9.176 11.147 4.122 1.00 0.00 C ATOM 0 H VAL A 69 -11.390 10.810 4.967 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.304 10.957 2.120 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.630 9.089 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.879 9.725 2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.310 9.048 1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.030 10.806 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.122 10.964 4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.283 12.095 3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.728 11.189 5.061 1.00 0.00 H new ATOM 1073 N GLU A 70 -12.313 8.184 3.566 1.00 0.00 N ATOM 1074 CA GLU A 70 -12.949 6.893 3.329 1.00 0.00 C ATOM 1075 C GLU A 70 -14.100 7.028 2.337 1.00 0.00 C ATOM 1076 O GLU A 70 -14.574 6.037 1.781 1.00 0.00 O ATOM 1077 CB GLU A 70 -13.461 6.302 4.645 1.00 0.00 C ATOM 1078 CG GLU A 70 -13.503 4.784 4.654 1.00 0.00 C ATOM 1079 CD GLU A 70 -13.915 4.220 6.000 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -13.042 4.095 6.884 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -15.111 3.904 6.169 1.00 0.00 O ATOM 0 H GLU A 70 -12.252 8.450 4.549 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.203 6.222 2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.823 6.644 5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.462 6.686 4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.201 4.439 3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.520 4.395 4.387 1.00 0.00 H new ATOM 1088 N ASP A 71 -14.545 8.261 2.121 1.00 0.00 N ATOM 1089 CA ASP A 71 -15.641 8.527 1.196 1.00 0.00 C ATOM 1090 C ASP A 71 -15.269 8.107 -0.222 1.00 0.00 C ATOM 1091 O ASP A 71 -16.140 7.841 -1.051 1.00 0.00 O ATOM 1092 CB ASP A 71 -16.009 10.012 1.222 1.00 0.00 C ATOM 1093 CG ASP A 71 -17.056 10.331 2.270 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -17.179 9.555 3.242 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -17.753 11.356 2.120 1.00 0.00 O ATOM 0 H ASP A 71 -14.164 9.092 2.574 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.503 7.941 1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.113 10.602 1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.379 10.309 0.241 1.00 0.00 H new ATOM 1100 N LEU A 72 -13.970 8.052 -0.496 1.00 0.00 N ATOM 1101 CA LEU A 72 -13.481 7.665 -1.815 1.00 0.00 C ATOM 1102 C LEU A 72 -13.991 6.280 -2.200 1.00 0.00 C ATOM 1103 O LEU A 72 -13.908 5.878 -3.360 1.00 0.00 O ATOM 1104 CB LEU A 72 -11.952 7.683 -1.840 1.00 0.00 C ATOM 1105 CG LEU A 72 -11.295 9.058 -1.707 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -9.817 8.913 -1.379 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -11.484 9.865 -2.982 1.00 0.00 C ATOM 0 H LEU A 72 -13.236 8.271 0.178 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.858 8.386 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.588 7.049 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.618 7.232 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.777 9.593 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.366 9.901 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.704 8.375 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.320 8.359 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.010 10.840 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.029 9.335 -3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.549 9.999 -3.173 1.00 0.00 H new ATOM 1119 N GLU A 73 -14.521 5.556 -1.218 1.00 0.00 N ATOM 1120 CA GLU A 73 -15.045 4.216 -1.456 1.00 0.00 C ATOM 1121 C GLU A 73 -16.391 4.278 -2.171 1.00 0.00 C ATOM 1122 O GLU A 73 -16.829 3.300 -2.779 1.00 0.00 O ATOM 1123 CB GLU A 73 -15.192 3.460 -0.134 1.00 0.00 C ATOM 1124 CG GLU A 73 -16.479 3.778 0.609 1.00 0.00 C ATOM 1125 CD GLU A 73 -16.641 2.955 1.873 1.00 0.00 C ATOM 1126 OE1 GLU A 73 -17.205 1.845 1.790 1.00 0.00 O ATOM 1127 OE2 GLU A 73 -16.203 3.424 2.945 1.00 0.00 O ATOM 0 H GLU A 73 -14.599 5.875 -0.252 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.338 3.685 -2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.151 2.389 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.344 3.698 0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.494 4.837 0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.329 3.597 -0.049 1.00 0.00 H new ATOM 1134 N ARG A 74 -17.044 5.433 -2.094 1.00 0.00 N ATOM 1135 CA ARG A 74 -18.341 5.623 -2.732 1.00 0.00 C ATOM 1136 C ARG A 74 -18.180 6.246 -4.116 1.00 0.00 C ATOM 1137 O ARG A 74 -19.099 6.212 -4.934 1.00 0.00 O ATOM 1138 CB ARG A 74 -19.236 6.508 -1.863 1.00 0.00 C ATOM 1139 CG ARG A 74 -19.106 7.992 -2.168 1.00 0.00 C ATOM 1140 CD ARG A 74 -20.114 8.813 -1.380 1.00 0.00 C ATOM 1141 NE ARG A 74 -19.824 10.243 -1.443 1.00 0.00 N ATOM 1142 CZ ARG A 74 -20.504 11.161 -0.765 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -21.507 10.800 0.023 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -20.180 12.443 -0.875 1.00 0.00 N ATOM 0 H ARG A 74 -16.696 6.252 -1.596 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.809 4.645 -2.845 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -20.274 6.207 -2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -18.992 6.338 -0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.096 8.327 -1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -19.253 8.160 -3.235 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -21.115 8.629 -1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -20.112 8.488 -0.340 1.00 0.00 H new ATOM 0 HE ARG A 74 -19.058 10.554 -2.040 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -21.758 9.815 0.110 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -22.027 11.507 0.542 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -19.409 12.724 -1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.702 13.148 -0.354 1.00 0.00 H new ATOM 1158 N VAL A 75 -17.006 6.815 -4.370 1.00 0.00 N ATOM 1159 CA VAL A 75 -16.724 7.446 -5.654 1.00 0.00 C ATOM 1160 C VAL A 75 -16.601 6.405 -6.762 1.00 0.00 C ATOM 1161 O VAL A 75 -15.747 5.522 -6.704 1.00 0.00 O ATOM 1162 CB VAL A 75 -15.429 8.277 -5.599 1.00 0.00 C ATOM 1163 CG1 VAL A 75 -14.967 8.640 -7.002 1.00 0.00 C ATOM 1164 CG2 VAL A 75 -15.633 9.526 -4.756 1.00 0.00 C ATOM 0 H VAL A 75 -16.235 6.852 -3.704 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.562 8.108 -5.872 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.651 7.674 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.051 9.227 -6.943 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -14.778 7.729 -7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -15.741 9.224 -7.500 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.708 10.101 -4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.425 10.134 -5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.913 9.239 -3.742 1.00 0.00 H new ATOM 1174 N GLU A 76 -17.461 6.517 -7.770 1.00 0.00 N ATOM 1175 CA GLU A 76 -17.448 5.585 -8.891 1.00 0.00 C ATOM 1176 C GLU A 76 -16.017 5.243 -9.298 1.00 0.00 C ATOM 1177 O GLU A 76 -15.175 6.127 -9.448 1.00 0.00 O ATOM 1178 CB GLU A 76 -18.201 6.177 -10.084 1.00 0.00 C ATOM 1179 CG GLU A 76 -18.002 5.402 -11.375 1.00 0.00 C ATOM 1180 CD GLU A 76 -18.996 5.794 -12.451 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -20.098 6.265 -12.096 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -18.674 5.630 -13.646 1.00 0.00 O ATOM 0 H GLU A 76 -18.175 7.243 -7.833 1.00 0.00 H new ATOM 0 HA GLU A 76 -17.946 4.669 -8.574 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -19.265 6.211 -9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.875 7.206 -10.234 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.990 5.570 -11.743 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.095 4.335 -11.172 1.00 0.00 H new ATOM 1189 N GLY A 77 -15.751 3.952 -9.473 1.00 0.00 N ATOM 1190 CA GLY A 77 -14.422 3.515 -9.859 1.00 0.00 C ATOM 1191 C GLY A 77 -13.556 3.167 -8.665 1.00 0.00 C ATOM 1192 O GLY A 77 -12.974 2.083 -8.606 1.00 0.00 O ATOM 0 H GLY A 77 -16.432 3.202 -9.354 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.504 2.645 -10.510 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.938 4.302 -10.438 1.00 0.00 H new ATOM 1196 N ILE A 78 -13.468 4.089 -7.712 1.00 0.00 N ATOM 1197 CA ILE A 78 -12.666 3.874 -6.514 1.00 0.00 C ATOM 1198 C ILE A 78 -13.463 3.136 -5.443 1.00 0.00 C ATOM 1199 O ILE A 78 -14.635 3.434 -5.210 1.00 0.00 O ATOM 1200 CB ILE A 78 -12.155 5.205 -5.932 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -11.419 6.008 -7.007 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -11.246 4.948 -4.740 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -11.378 7.494 -6.729 1.00 0.00 C ATOM 0 H ILE A 78 -13.942 4.992 -7.746 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.812 3.265 -6.812 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.011 5.788 -5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.399 5.634 -7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -11.902 5.840 -7.969 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.893 5.899 -4.340 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.800 4.413 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.393 4.348 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.841 8.000 -7.532 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.395 7.882 -6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.868 7.673 -5.782 1.00 0.00 H new ATOM 1215 N THR A 79 -12.819 2.173 -4.792 1.00 0.00 N ATOM 1216 CA THR A 79 -13.467 1.393 -3.745 1.00 0.00 C ATOM 1217 C THR A 79 -12.663 1.436 -2.451 1.00 0.00 C ATOM 1218 O THR A 79 -11.471 1.740 -2.458 1.00 0.00 O ATOM 1219 CB THR A 79 -13.652 -0.076 -4.172 1.00 0.00 C ATOM 1220 OG1 THR A 79 -13.611 -0.929 -3.023 1.00 0.00 O ATOM 1221 CG2 THR A 79 -12.571 -0.493 -5.158 1.00 0.00 C ATOM 0 H THR A 79 -11.849 1.914 -4.971 1.00 0.00 H new ATOM 0 HA THR A 79 -14.446 1.841 -3.577 1.00 0.00 H new ATOM 0 HB THR A 79 -14.622 -0.170 -4.659 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.731 -1.861 -3.303 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.722 -1.534 -5.445 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.623 0.139 -6.044 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.592 -0.384 -4.692 1.00 0.00 H new ATOM 1229 N GLY A 80 -13.325 1.130 -1.338 1.00 0.00 N ATOM 1230 CA GLY A 80 -12.656 1.139 -0.051 1.00 0.00 C ATOM 1231 C GLY A 80 -11.332 0.402 -0.080 1.00 0.00 C ATOM 1232 O GLY A 80 -10.459 0.644 0.754 1.00 0.00 O ATOM 0 H GLY A 80 -14.312 0.876 -1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.488 2.170 0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.306 0.683 0.696 1.00 0.00 H new ATOM 1236 N LYS A 81 -11.182 -0.504 -1.040 1.00 0.00 N ATOM 1237 CA LYS A 81 -9.956 -1.281 -1.175 1.00 0.00 C ATOM 1238 C LYS A 81 -8.874 -0.471 -1.883 1.00 0.00 C ATOM 1239 O LYS A 81 -7.706 -0.507 -1.495 1.00 0.00 O ATOM 1240 CB LYS A 81 -10.229 -2.573 -1.949 1.00 0.00 C ATOM 1241 CG LYS A 81 -9.063 -3.547 -1.937 1.00 0.00 C ATOM 1242 CD LYS A 81 -8.929 -4.240 -0.591 1.00 0.00 C ATOM 1243 CE LYS A 81 -7.497 -4.680 -0.331 1.00 0.00 C ATOM 1244 NZ LYS A 81 -7.222 -4.842 1.123 1.00 0.00 N ATOM 0 H LYS A 81 -11.895 -0.718 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.602 -1.532 -0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.105 -3.063 -1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.473 -2.323 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.203 -4.293 -2.719 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.140 -3.014 -2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.253 -3.565 0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.589 -5.107 -0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.308 -5.623 -0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.810 -3.946 -0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.236 -5.143 1.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.377 -3.936 1.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.861 -5.561 1.519 1.00 0.00 H new ATOM 1258 N GLN A 82 -9.270 0.258 -2.921 1.00 0.00 N ATOM 1259 CA GLN A 82 -8.334 1.076 -3.682 1.00 0.00 C ATOM 1260 C GLN A 82 -7.971 2.344 -2.915 1.00 0.00 C ATOM 1261 O GLN A 82 -6.805 2.732 -2.855 1.00 0.00 O ATOM 1262 CB GLN A 82 -8.931 1.442 -5.042 1.00 0.00 C ATOM 1263 CG GLN A 82 -8.651 0.412 -6.126 1.00 0.00 C ATOM 1264 CD GLN A 82 -7.301 0.611 -6.784 1.00 0.00 C ATOM 1265 OE1 GLN A 82 -6.850 1.740 -6.977 1.00 0.00 O ATOM 1266 NE2 GLN A 82 -6.645 -0.490 -7.134 1.00 0.00 N ATOM 0 H GLN A 82 -10.233 0.299 -3.254 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.426 0.494 -3.837 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.009 1.562 -4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.532 2.406 -5.357 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.696 -0.587 -5.693 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.432 0.466 -6.884 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.055 -1.407 -6.956 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -5.731 -0.419 -7.581 1.00 0.00 H new ATOM 1275 N MET A 83 -8.979 2.984 -2.331 1.00 0.00 N ATOM 1276 CA MET A 83 -8.765 4.208 -1.567 1.00 0.00 C ATOM 1277 C MET A 83 -7.894 3.941 -0.344 1.00 0.00 C ATOM 1278 O MET A 83 -7.175 4.824 0.121 1.00 0.00 O ATOM 1279 CB MET A 83 -10.106 4.804 -1.133 1.00 0.00 C ATOM 1280 CG MET A 83 -10.795 4.012 -0.033 1.00 0.00 C ATOM 1281 SD MET A 83 -10.144 4.389 1.606 1.00 0.00 S ATOM 1282 CE MET A 83 -10.197 6.180 1.588 1.00 0.00 C ATOM 0 H MET A 83 -9.951 2.676 -2.372 1.00 0.00 H new ATOM 0 HA MET A 83 -8.249 4.922 -2.209 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.946 5.826 -0.788 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.767 4.859 -1.998 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.864 4.224 -0.053 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.678 2.946 -0.230 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.263 6.552 2.610 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.292 6.566 1.119 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.068 6.513 1.024 1.00 0.00 H new ATOM 1292 N GLU A 84 -7.965 2.717 0.172 1.00 0.00 N ATOM 1293 CA GLU A 84 -7.183 2.336 1.342 1.00 0.00 C ATOM 1294 C GLU A 84 -5.696 2.272 1.005 1.00 0.00 C ATOM 1295 O GLU A 84 -4.879 2.953 1.624 1.00 0.00 O ATOM 1296 CB GLU A 84 -7.654 0.983 1.878 1.00 0.00 C ATOM 1297 CG GLU A 84 -8.842 1.082 2.821 1.00 0.00 C ATOM 1298 CD GLU A 84 -8.426 1.304 4.262 1.00 0.00 C ATOM 1299 OE1 GLU A 84 -8.050 0.317 4.929 1.00 0.00 O ATOM 1300 OE2 GLU A 84 -8.478 2.463 4.723 1.00 0.00 O ATOM 0 H GLU A 84 -8.555 1.974 -0.202 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.331 3.095 2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.920 0.342 1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.827 0.500 2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.487 1.901 2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.432 0.168 2.754 1.00 0.00 H new ATOM 1307 N SER A 85 -5.353 1.448 0.020 1.00 0.00 N ATOM 1308 CA SER A 85 -3.965 1.291 -0.397 1.00 0.00 C ATOM 1309 C SER A 85 -3.326 2.647 -0.681 1.00 0.00 C ATOM 1310 O SER A 85 -2.149 2.864 -0.394 1.00 0.00 O ATOM 1311 CB SER A 85 -3.881 0.404 -1.641 1.00 0.00 C ATOM 1312 OG SER A 85 -2.535 0.210 -2.039 1.00 0.00 O ATOM 0 H SER A 85 -6.018 0.879 -0.504 1.00 0.00 H new ATOM 0 HA SER A 85 -3.419 0.815 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.345 -0.561 -1.436 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.442 0.861 -2.456 1.00 0.00 H new ATOM 0 HG SER A 85 -2.508 -0.361 -2.835 1.00 0.00 H new ATOM 1318 N PHE A 86 -4.112 3.557 -1.247 1.00 0.00 N ATOM 1319 CA PHE A 86 -3.625 4.892 -1.572 1.00 0.00 C ATOM 1320 C PHE A 86 -3.234 5.651 -0.307 1.00 0.00 C ATOM 1321 O PHE A 86 -2.094 6.094 -0.162 1.00 0.00 O ATOM 1322 CB PHE A 86 -4.692 5.675 -2.341 1.00 0.00 C ATOM 1323 CG PHE A 86 -4.597 7.162 -2.152 1.00 0.00 C ATOM 1324 CD1 PHE A 86 -3.385 7.817 -2.304 1.00 0.00 C ATOM 1325 CD2 PHE A 86 -5.719 7.904 -1.824 1.00 0.00 C ATOM 1326 CE1 PHE A 86 -3.295 9.185 -2.130 1.00 0.00 C ATOM 1327 CE2 PHE A 86 -5.636 9.273 -1.649 1.00 0.00 C ATOM 1328 CZ PHE A 86 -4.422 9.914 -1.803 1.00 0.00 C ATOM 0 H PHE A 86 -5.089 3.394 -1.490 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.740 4.786 -2.199 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.605 5.445 -3.403 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.679 5.339 -2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.501 7.252 -2.561 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.670 7.407 -1.703 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.345 9.684 -2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.519 9.840 -1.392 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.354 10.983 -1.668 1.00 0.00 H new ATOM 1338 N LEU A 87 -4.188 5.798 0.605 1.00 0.00 N ATOM 1339 CA LEU A 87 -3.945 6.504 1.859 1.00 0.00 C ATOM 1340 C LEU A 87 -2.599 6.107 2.455 1.00 0.00 C ATOM 1341 O LEU A 87 -1.797 6.963 2.831 1.00 0.00 O ATOM 1342 CB LEU A 87 -5.066 6.210 2.858 1.00 0.00 C ATOM 1343 CG LEU A 87 -6.337 7.046 2.706 1.00 0.00 C ATOM 1344 CD1 LEU A 87 -7.525 6.329 3.327 1.00 0.00 C ATOM 1345 CD2 LEU A 87 -6.151 8.419 3.337 1.00 0.00 C ATOM 0 H LEU A 87 -5.137 5.438 0.500 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.926 7.573 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.335 5.157 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.676 6.358 3.865 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.535 7.180 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.420 6.939 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.671 5.370 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.336 6.163 4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.065 9.000 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.928 8.305 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.327 8.936 2.846 1.00 0.00 H new ATOM 1357 N LYS A 88 -2.356 4.803 2.538 1.00 0.00 N ATOM 1358 CA LYS A 88 -1.105 4.291 3.085 1.00 0.00 C ATOM 1359 C LYS A 88 0.090 4.822 2.301 1.00 0.00 C ATOM 1360 O LYS A 88 1.006 5.413 2.872 1.00 0.00 O ATOM 1361 CB LYS A 88 -1.104 2.761 3.063 1.00 0.00 C ATOM 1362 CG LYS A 88 0.194 2.147 3.558 1.00 0.00 C ATOM 1363 CD LYS A 88 -0.004 0.707 4.001 1.00 0.00 C ATOM 1364 CE LYS A 88 0.037 -0.251 2.820 1.00 0.00 C ATOM 1365 NZ LYS A 88 -0.272 -1.649 3.228 1.00 0.00 N ATOM 0 H LYS A 88 -3.009 4.081 2.233 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.021 4.634 4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.927 2.397 3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.292 2.420 2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.941 2.185 2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.582 2.735 4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.771 0.436 4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.960 0.612 4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.679 0.073 2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.024 -0.217 2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.234 -2.270 2.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.426 -1.968 3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.224 -1.687 3.644 1.00 0.00 H new ATOM 1379 N ALA A 89 0.074 4.609 0.989 1.00 0.00 N ATOM 1380 CA ALA A 89 1.155 5.070 0.126 1.00 0.00 C ATOM 1381 C ALA A 89 1.691 6.420 0.591 1.00 0.00 C ATOM 1382 O ALA A 89 2.870 6.551 0.915 1.00 0.00 O ATOM 1383 CB ALA A 89 0.678 5.157 -1.316 1.00 0.00 C ATOM 0 H ALA A 89 -0.676 4.120 0.500 1.00 0.00 H new ATOM 0 HA ALA A 89 1.968 4.346 0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.495 5.502 -1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.350 4.173 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.154 5.858 -1.382 1.00 0.00 H new ATOM 1389 N ASN A 90 0.816 7.420 0.620 1.00 0.00 N ATOM 1390 CA ASN A 90 1.203 8.761 1.044 1.00 0.00 C ATOM 1391 C ASN A 90 1.437 8.808 2.551 1.00 0.00 C ATOM 1392 O ASN A 90 2.516 9.184 3.010 1.00 0.00 O ATOM 1393 CB ASN A 90 0.124 9.773 0.653 1.00 0.00 C ATOM 1394 CG ASN A 90 0.354 10.358 -0.728 1.00 0.00 C ATOM 1395 OD1 ASN A 90 0.227 9.665 -1.737 1.00 0.00 O ATOM 1396 ND2 ASN A 90 0.694 11.640 -0.777 1.00 0.00 N ATOM 0 H ASN A 90 -0.165 7.327 0.355 1.00 0.00 H new ATOM 0 HA ASN A 90 2.135 9.020 0.541 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.852 9.289 0.682 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.102 10.579 1.387 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.862 12.089 -1.677 1.00 0.00 H new ATOM 0 HD22 ASN A 90 0.788 12.176 0.086 1.00 0.00 H new ATOM 1403 N ILE A 91 0.420 8.425 3.315 1.00 0.00 N ATOM 1404 CA ILE A 91 0.516 8.422 4.769 1.00 0.00 C ATOM 1405 C ILE A 91 1.872 7.897 5.230 1.00 0.00 C ATOM 1406 O ILE A 91 2.665 8.630 5.824 1.00 0.00 O ATOM 1407 CB ILE A 91 -0.595 7.566 5.406 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -1.938 8.295 5.326 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -0.249 7.238 6.850 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -3.106 7.464 5.811 1.00 0.00 C ATOM 0 H ILE A 91 -0.480 8.113 2.951 1.00 0.00 H new ATOM 0 HA ILE A 91 0.399 9.456 5.094 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.676 6.631 4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.882 9.209 5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.119 8.594 4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.044 6.633 7.286 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.689 6.683 6.882 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.144 8.162 7.418 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.025 8.044 5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.188 6.562 5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.947 7.187 6.853 1.00 0.00 H new ATOM 1422 N LEU A 92 2.134 6.625 4.950 1.00 0.00 N ATOM 1423 CA LEU A 92 3.396 6.002 5.334 1.00 0.00 C ATOM 1424 C LEU A 92 4.562 6.617 4.566 1.00 0.00 C ATOM 1425 O LEU A 92 5.666 6.747 5.094 1.00 0.00 O ATOM 1426 CB LEU A 92 3.341 4.495 5.079 1.00 0.00 C ATOM 1427 CG LEU A 92 2.414 3.693 5.992 1.00 0.00 C ATOM 1428 CD1 LEU A 92 2.526 2.206 5.694 1.00 0.00 C ATOM 1429 CD2 LEU A 92 2.734 3.971 7.454 1.00 0.00 C ATOM 0 H LEU A 92 1.490 6.005 4.459 1.00 0.00 H new ATOM 0 HA LEU A 92 3.552 6.179 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.031 4.333 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.350 4.093 5.176 1.00 0.00 H new ATOM 0 HG LEU A 92 1.387 4.005 5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.859 1.651 6.354 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.247 2.021 4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.553 1.878 5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.064 3.392 8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.766 3.688 7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.601 5.033 7.660 1.00 0.00 H new ATOM 1441 N GLY A 93 4.309 6.995 3.317 1.00 0.00 N ATOM 1442 CA GLY A 93 5.346 7.594 2.498 1.00 0.00 C ATOM 1443 C GLY A 93 5.807 8.935 3.035 1.00 0.00 C ATOM 1444 O GLY A 93 6.933 9.362 2.776 1.00 0.00 O ATOM 0 H GLY A 93 3.404 6.897 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.198 6.916 2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.974 7.722 1.482 1.00 0.00 H new ATOM 1448 N LEU A 94 4.934 9.602 3.782 1.00 0.00 N ATOM 1449 CA LEU A 94 5.257 10.905 4.355 1.00 0.00 C ATOM 1450 C LEU A 94 6.445 10.802 5.306 1.00 0.00 C ATOM 1451 O LEU A 94 7.390 11.585 5.220 1.00 0.00 O ATOM 1452 CB LEU A 94 4.044 11.472 5.095 1.00 0.00 C ATOM 1453 CG LEU A 94 3.073 12.302 4.255 1.00 0.00 C ATOM 1454 CD1 LEU A 94 1.709 12.367 4.924 1.00 0.00 C ATOM 1455 CD2 LEU A 94 3.625 13.702 4.029 1.00 0.00 C ATOM 0 H LEU A 94 3.998 9.263 4.005 1.00 0.00 H new ATOM 0 HA LEU A 94 5.525 11.577 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.493 10.642 5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.402 12.091 5.918 1.00 0.00 H new ATOM 0 HG LEU A 94 2.957 11.818 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.031 12.962 4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.309 11.359 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.808 12.827 5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.921 14.278 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.772 14.195 4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.579 13.637 3.506 1.00 0.00 H new