USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 672 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 67 THR OG1 : rot 180:sc= 0.0237 USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0.0223 USER MOD Set 2.1: A 50 LYS NZ :NH3+ -173:sc= 1.21 (180deg=0) USER MOD Set 2.2: A 66 SER OG : rot 122:sc= 1.07 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 45:sc= 1.19 USER MOD Single : A 32 HIS : no HD1:sc= -2.32 K(o=-2.3,f=-0.28) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -111:sc= -0.114 (180deg=-3.79!) USER MOD Single : A 59 THR OG1 : rot -140:sc= -0.434 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0484 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 89:sc= 0.63 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -176:sc= 0.607 (180deg=0.596) USER MOD Single : A 87 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.36) USER MOD Single : A 88 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.125) USER MOD Single : A 92 SER OG : rot 180:sc= -0.269 USER MOD Single : A 93 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.011) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 9 9.187 7.326 4.505 1.00 0.00 N ATOM 129 CA ALA A 9 9.410 7.792 3.102 1.00 0.00 C ATOM 130 C ALA A 9 9.615 6.578 2.191 1.00 0.00 C ATOM 131 O ALA A 9 9.095 6.521 1.092 1.00 0.00 O ATOM 132 CB ALA A 9 10.676 8.651 3.154 1.00 0.00 C ATOM 0 HA ALA A 9 8.565 8.357 2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.901 9.028 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.519 9.490 3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.511 8.048 3.511 1.00 0.00 H new ATOM 138 N VAL A 10 10.350 5.594 2.656 1.00 0.00 N ATOM 139 CA VAL A 10 10.571 4.365 1.835 1.00 0.00 C ATOM 140 C VAL A 10 9.225 3.672 1.605 1.00 0.00 C ATOM 141 O VAL A 10 8.943 3.188 0.527 1.00 0.00 O ATOM 142 CB VAL A 10 11.513 3.474 2.661 1.00 0.00 C ATOM 143 CG1 VAL A 10 11.899 2.234 1.847 1.00 0.00 C ATOM 144 CG2 VAL A 10 12.784 4.253 3.019 1.00 0.00 C ATOM 0 H VAL A 10 10.805 5.591 3.569 1.00 0.00 H new ATOM 0 HA VAL A 10 11.003 4.584 0.858 1.00 0.00 H new ATOM 0 HB VAL A 10 11.001 3.169 3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.567 1.605 2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.001 1.671 1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.405 2.542 0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.448 3.617 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.291 4.562 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.518 5.134 3.603 1.00 0.00 H new ATOM 154 N ALA A 11 8.385 3.645 2.613 1.00 0.00 N ATOM 155 CA ALA A 11 7.044 3.012 2.459 1.00 0.00 C ATOM 156 C ALA A 11 6.229 3.790 1.418 1.00 0.00 C ATOM 157 O ALA A 11 5.554 3.211 0.589 1.00 0.00 O ATOM 158 CB ALA A 11 6.392 3.109 3.841 1.00 0.00 C ATOM 0 H ALA A 11 8.574 4.036 3.536 1.00 0.00 H new ATOM 0 HA ALA A 11 7.104 1.978 2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.398 2.662 3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.004 2.578 4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.309 4.156 4.131 1.00 0.00 H new ATOM 164 N ALA A 12 6.303 5.103 1.454 1.00 0.00 N ATOM 165 CA ALA A 12 5.552 5.932 0.463 1.00 0.00 C ATOM 166 C ALA A 12 6.019 5.590 -0.955 1.00 0.00 C ATOM 167 O ALA A 12 5.221 5.464 -1.864 1.00 0.00 O ATOM 168 CB ALA A 12 5.890 7.384 0.807 1.00 0.00 C ATOM 0 H ALA A 12 6.853 5.633 2.130 1.00 0.00 H new ATOM 0 HA ALA A 12 4.477 5.753 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.372 8.051 0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.574 7.599 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.966 7.537 0.721 1.00 0.00 H new ATOM 174 N ALA A 13 7.307 5.421 -1.144 1.00 0.00 N ATOM 175 CA ALA A 13 7.826 5.062 -2.497 1.00 0.00 C ATOM 176 C ALA A 13 7.254 3.705 -2.918 1.00 0.00 C ATOM 177 O ALA A 13 6.830 3.523 -4.045 1.00 0.00 O ATOM 178 CB ALA A 13 9.348 4.987 -2.344 1.00 0.00 C ATOM 0 H ALA A 13 8.018 5.517 -0.419 1.00 0.00 H new ATOM 0 HA ALA A 13 7.541 5.787 -3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.798 4.727 -3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.729 5.954 -2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.602 4.227 -1.605 1.00 0.00 H new ATOM 184 N VAL A 14 7.219 2.759 -2.008 1.00 0.00 N ATOM 185 CA VAL A 14 6.649 1.417 -2.338 1.00 0.00 C ATOM 186 C VAL A 14 5.146 1.562 -2.614 1.00 0.00 C ATOM 187 O VAL A 14 4.614 0.970 -3.536 1.00 0.00 O ATOM 188 CB VAL A 14 6.900 0.546 -1.098 1.00 0.00 C ATOM 189 CG1 VAL A 14 6.324 -0.855 -1.325 1.00 0.00 C ATOM 190 CG2 VAL A 14 8.407 0.433 -0.840 1.00 0.00 C ATOM 0 H VAL A 14 7.561 2.860 -1.052 1.00 0.00 H new ATOM 0 HA VAL A 14 7.103 0.973 -3.224 1.00 0.00 H new ATOM 0 HB VAL A 14 6.415 1.007 -0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.504 -1.470 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.251 -0.783 -1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.806 -1.311 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.580 -0.186 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.891 -0.022 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.823 1.427 -0.673 1.00 0.00 H new ATOM 200 N ALA A 15 4.464 2.370 -1.833 1.00 0.00 N ATOM 201 CA ALA A 15 3.002 2.583 -2.057 1.00 0.00 C ATOM 202 C ALA A 15 2.787 3.275 -3.408 1.00 0.00 C ATOM 203 O ALA A 15 1.863 2.961 -4.135 1.00 0.00 O ATOM 204 CB ALA A 15 2.545 3.487 -0.910 1.00 0.00 C ATOM 0 H ALA A 15 4.860 2.890 -1.050 1.00 0.00 H new ATOM 0 HA ALA A 15 2.441 1.648 -2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.478 3.688 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.735 2.991 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.096 4.427 -0.946 1.00 0.00 H new ATOM 210 N SER A 16 3.648 4.205 -3.756 1.00 0.00 N ATOM 211 CA SER A 16 3.515 4.903 -5.069 1.00 0.00 C ATOM 212 C SER A 16 3.700 3.891 -6.206 1.00 0.00 C ATOM 213 O SER A 16 3.014 3.942 -7.210 1.00 0.00 O ATOM 214 CB SER A 16 4.631 5.950 -5.092 1.00 0.00 C ATOM 215 OG SER A 16 4.164 7.118 -5.752 1.00 0.00 O ATOM 0 H SER A 16 4.436 4.508 -3.184 1.00 0.00 H new ATOM 0 HA SER A 16 2.536 5.365 -5.197 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.940 6.192 -4.075 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.507 5.554 -5.605 1.00 0.00 H new ATOM 0 HG SER A 16 4.876 7.792 -5.767 1.00 0.00 H new ATOM 221 N LYS A 17 4.612 2.961 -6.044 1.00 0.00 N ATOM 222 CA LYS A 17 4.833 1.930 -7.098 1.00 0.00 C ATOM 223 C LYS A 17 3.600 1.017 -7.196 1.00 0.00 C ATOM 224 O LYS A 17 3.255 0.542 -8.262 1.00 0.00 O ATOM 225 CB LYS A 17 6.074 1.146 -6.643 1.00 0.00 C ATOM 226 CG LYS A 17 6.851 0.639 -7.866 1.00 0.00 C ATOM 227 CD LYS A 17 7.307 1.821 -8.737 1.00 0.00 C ATOM 228 CE LYS A 17 8.044 2.855 -7.876 1.00 0.00 C ATOM 229 NZ LYS A 17 8.625 3.830 -8.843 1.00 0.00 N ATOM 0 H LYS A 17 5.212 2.875 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 17 4.983 2.364 -8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.714 1.784 -6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.774 0.305 -6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.717 0.062 -7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.223 -0.032 -8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.962 1.466 -9.533 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.445 2.284 -9.217 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.362 3.347 -7.183 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.823 2.384 -7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.144 4.567 -8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.276 3.335 -9.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.861 4.269 -9.395 1.00 0.00 H new ATOM 243 N ILE A 18 2.921 0.788 -6.090 1.00 0.00 N ATOM 244 CA ILE A 18 1.698 -0.070 -6.119 1.00 0.00 C ATOM 245 C ILE A 18 0.650 0.574 -7.034 1.00 0.00 C ATOM 246 O ILE A 18 0.098 -0.069 -7.902 1.00 0.00 O ATOM 247 CB ILE A 18 1.196 -0.121 -4.664 1.00 0.00 C ATOM 248 CG1 ILE A 18 1.996 -1.166 -3.874 1.00 0.00 C ATOM 249 CG2 ILE A 18 -0.292 -0.491 -4.632 1.00 0.00 C ATOM 250 CD1 ILE A 18 1.659 -2.573 -4.380 1.00 0.00 C ATOM 0 H ILE A 18 3.165 1.160 -5.172 1.00 0.00 H new ATOM 0 HA ILE A 18 1.897 -1.071 -6.502 1.00 0.00 H new ATOM 0 HB ILE A 18 1.332 0.861 -4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.064 -0.977 -3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.765 -1.087 -2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.637 -0.524 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.865 0.256 -5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.434 -1.468 -5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.230 -3.309 -3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.594 -2.762 -4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.913 -2.650 -5.437 1.00 0.00 H new ATOM 262 N VAL A 19 0.385 1.846 -6.847 1.00 0.00 N ATOM 263 CA VAL A 19 -0.622 2.547 -7.707 1.00 0.00 C ATOM 264 C VAL A 19 -0.166 2.522 -9.174 1.00 0.00 C ATOM 265 O VAL A 19 -0.962 2.347 -10.075 1.00 0.00 O ATOM 266 CB VAL A 19 -0.679 3.986 -7.171 1.00 0.00 C ATOM 267 CG1 VAL A 19 -1.330 4.910 -8.207 1.00 0.00 C ATOM 268 CG2 VAL A 19 -1.507 4.016 -5.882 1.00 0.00 C ATOM 0 H VAL A 19 0.824 2.430 -6.135 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.602 2.071 -7.673 1.00 0.00 H new ATOM 0 HB VAL A 19 0.336 4.330 -6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.365 5.927 -7.816 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.745 4.894 -9.127 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.343 4.566 -8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.549 5.036 -5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.518 3.665 -6.091 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.044 3.368 -5.137 1.00 0.00 H new ATOM 278 N GLY A 20 1.113 2.692 -9.412 1.00 0.00 N ATOM 279 CA GLY A 20 1.633 2.674 -10.815 1.00 0.00 C ATOM 280 C GLY A 20 1.448 1.275 -11.426 1.00 0.00 C ATOM 281 O GLY A 20 1.217 1.137 -12.613 1.00 0.00 O ATOM 0 H GLY A 20 1.820 2.843 -8.693 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.106 3.415 -11.416 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.688 2.947 -10.824 1.00 0.00 H new ATOM 285 N LEU A 21 1.551 0.241 -10.625 1.00 0.00 N ATOM 286 CA LEU A 21 1.386 -1.147 -11.152 1.00 0.00 C ATOM 287 C LEU A 21 0.103 -1.785 -10.600 1.00 0.00 C ATOM 288 O LEU A 21 0.063 -2.967 -10.305 1.00 0.00 O ATOM 289 CB LEU A 21 2.623 -1.900 -10.648 1.00 0.00 C ATOM 290 CG LEU A 21 2.969 -3.036 -11.613 1.00 0.00 C ATOM 291 CD1 LEU A 21 3.898 -2.514 -12.713 1.00 0.00 C ATOM 292 CD2 LEU A 21 3.672 -4.158 -10.844 1.00 0.00 C ATOM 0 H LEU A 21 1.743 0.301 -9.625 1.00 0.00 H new ATOM 0 HA LEU A 21 1.301 -1.171 -12.238 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.466 -1.215 -10.561 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.435 -2.301 -9.652 1.00 0.00 H new ATOM 0 HG LEU A 21 2.054 -3.418 -12.065 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.142 -3.326 -13.398 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.400 -1.714 -13.261 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.814 -2.130 -12.264 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.920 -4.969 -11.529 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.586 -3.772 -10.393 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.011 -4.533 -10.062 1.00 0.00 H new ATOM 304 N TRP A 22 -0.946 -1.014 -10.449 1.00 0.00 N ATOM 305 CA TRP A 22 -2.218 -1.573 -9.907 1.00 0.00 C ATOM 306 C TRP A 22 -3.241 -1.816 -11.026 1.00 0.00 C ATOM 307 O TRP A 22 -3.441 -0.992 -11.899 1.00 0.00 O ATOM 308 CB TRP A 22 -2.736 -0.517 -8.924 1.00 0.00 C ATOM 309 CG TRP A 22 -4.072 -0.934 -8.386 1.00 0.00 C ATOM 310 CD1 TRP A 22 -4.382 -2.176 -7.947 1.00 0.00 C ATOM 311 CD2 TRP A 22 -5.278 -0.132 -8.224 1.00 0.00 C ATOM 312 NE1 TRP A 22 -5.701 -2.188 -7.533 1.00 0.00 N ATOM 313 CE2 TRP A 22 -6.295 -0.952 -7.683 1.00 0.00 C ATOM 314 CE3 TRP A 22 -5.586 1.214 -8.495 1.00 0.00 C ATOM 315 CZ2 TRP A 22 -7.572 -0.455 -7.417 1.00 0.00 C ATOM 316 CZ3 TRP A 22 -6.869 1.717 -8.229 1.00 0.00 C ATOM 317 CH2 TRP A 22 -7.860 0.884 -7.692 1.00 0.00 C ATOM 0 H TRP A 22 -0.974 -0.021 -10.679 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.057 -2.538 -9.426 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.028 -0.391 -8.105 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.820 0.448 -9.424 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.709 -3.020 -7.924 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.177 -3.010 -7.162 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.830 1.864 -8.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.332 -1.101 -7.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.094 2.752 -8.439 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.846 1.277 -7.491 1.00 0.00 H new ATOM 328 N ARG A 23 -3.906 -2.938 -10.973 1.00 0.00 N ATOM 329 CA ARG A 23 -4.946 -3.271 -11.987 1.00 0.00 C ATOM 330 C ARG A 23 -6.325 -2.956 -11.394 1.00 0.00 C ATOM 331 O ARG A 23 -6.423 -2.292 -10.379 1.00 0.00 O ATOM 332 CB ARG A 23 -4.774 -4.777 -12.226 1.00 0.00 C ATOM 333 CG ARG A 23 -5.083 -5.114 -13.687 1.00 0.00 C ATOM 334 CD ARG A 23 -5.139 -6.636 -13.857 1.00 0.00 C ATOM 335 NE ARG A 23 -6.579 -6.995 -13.701 1.00 0.00 N ATOM 336 CZ ARG A 23 -7.186 -7.668 -14.642 1.00 0.00 C ATOM 337 NH1 ARG A 23 -7.633 -7.047 -15.702 1.00 0.00 N ATOM 338 NH2 ARG A 23 -7.341 -8.960 -14.523 1.00 0.00 N ATOM 0 H ARG A 23 -3.769 -3.651 -10.256 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.855 -2.708 -12.916 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.755 -5.078 -11.982 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.438 -5.336 -11.567 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.033 -4.669 -13.981 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.318 -4.692 -14.339 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.762 -6.937 -14.834 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.525 -7.138 -13.110 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.088 -6.716 -12.862 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.508 -6.039 -15.793 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.107 -7.571 -16.438 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.988 -9.442 -13.696 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.815 -9.487 -15.257 1.00 0.00 H new ATOM 352 N ASN A 24 -7.388 -3.420 -12.003 1.00 0.00 N ATOM 353 CA ASN A 24 -8.753 -3.141 -11.447 1.00 0.00 C ATOM 354 C ASN A 24 -8.807 -3.515 -9.955 1.00 0.00 C ATOM 355 O ASN A 24 -9.391 -2.813 -9.152 1.00 0.00 O ATOM 356 CB ASN A 24 -9.706 -4.025 -12.254 1.00 0.00 C ATOM 357 CG ASN A 24 -10.389 -3.184 -13.337 1.00 0.00 C ATOM 358 OD1 ASN A 24 -11.543 -2.828 -13.209 1.00 0.00 O ATOM 359 ND2 ASN A 24 -9.719 -2.845 -14.405 1.00 0.00 N ATOM 0 H ASN A 24 -7.373 -3.977 -12.857 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.017 -2.086 -11.522 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.157 -4.848 -12.710 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.454 -4.467 -11.596 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.165 -2.282 -15.130 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.750 -3.143 -14.515 1.00 0.00 H new ATOM 366 N GLU A 25 -8.191 -4.615 -9.587 1.00 0.00 N ATOM 367 CA GLU A 25 -8.189 -5.041 -8.150 1.00 0.00 C ATOM 368 C GLU A 25 -7.018 -6.000 -7.871 1.00 0.00 C ATOM 369 O GLU A 25 -7.133 -6.914 -7.076 1.00 0.00 O ATOM 370 CB GLU A 25 -9.536 -5.750 -7.940 1.00 0.00 C ATOM 371 CG GLU A 25 -9.621 -6.995 -8.836 1.00 0.00 C ATOM 372 CD GLU A 25 -10.996 -7.056 -9.509 1.00 0.00 C ATOM 373 OE1 GLU A 25 -11.245 -6.242 -10.382 1.00 0.00 O ATOM 374 OE2 GLU A 25 -11.774 -7.922 -9.143 1.00 0.00 O ATOM 0 H GLU A 25 -7.689 -5.237 -10.221 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.065 -4.196 -7.473 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.646 -6.037 -6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.355 -5.069 -8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.837 -6.964 -9.592 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.456 -7.894 -8.242 1.00 0.00 H new ATOM 381 N LYS A 26 -5.896 -5.801 -8.522 1.00 0.00 N ATOM 382 CA LYS A 26 -4.725 -6.707 -8.301 1.00 0.00 C ATOM 383 C LYS A 26 -3.405 -5.988 -8.616 1.00 0.00 C ATOM 384 O LYS A 26 -3.309 -5.242 -9.569 1.00 0.00 O ATOM 385 CB LYS A 26 -4.947 -7.859 -9.283 1.00 0.00 C ATOM 386 CG LYS A 26 -3.926 -8.973 -9.019 1.00 0.00 C ATOM 387 CD LYS A 26 -4.625 -10.172 -8.371 1.00 0.00 C ATOM 388 CE LYS A 26 -3.710 -11.400 -8.457 1.00 0.00 C ATOM 389 NZ LYS A 26 -4.275 -12.383 -7.485 1.00 0.00 N ATOM 0 H LYS A 26 -5.741 -5.051 -9.196 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.654 -7.041 -7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.959 -8.249 -9.177 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.849 -7.499 -10.307 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.455 -9.276 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.133 -8.606 -8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.860 -9.951 -7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.570 -10.373 -8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.696 -11.810 -9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.682 -11.143 -8.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.698 -13.248 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.269 -11.970 -6.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.252 -12.616 -7.755 1.00 0.00 H new ATOM 403 N THR A 27 -2.380 -6.230 -7.834 1.00 0.00 N ATOM 404 CA THR A 27 -1.053 -5.584 -8.096 1.00 0.00 C ATOM 405 C THR A 27 0.073 -6.550 -7.714 1.00 0.00 C ATOM 406 O THR A 27 -0.123 -7.467 -6.937 1.00 0.00 O ATOM 407 CB THR A 27 -1.027 -4.310 -7.231 1.00 0.00 C ATOM 408 OG1 THR A 27 0.053 -3.477 -7.639 1.00 0.00 O ATOM 409 CG2 THR A 27 -0.856 -4.675 -5.752 1.00 0.00 C ATOM 0 H THR A 27 -2.405 -6.849 -7.023 1.00 0.00 H new ATOM 0 HA THR A 27 -0.911 -5.334 -9.147 1.00 0.00 H new ATOM 0 HB THR A 27 -1.970 -3.779 -7.360 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.071 -3.421 -8.617 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.839 -3.765 -5.152 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.687 -5.304 -5.434 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.081 -5.216 -5.617 1.00 0.00 H new ATOM 417 N GLU A 28 1.243 -6.364 -8.265 1.00 0.00 N ATOM 418 CA GLU A 28 2.373 -7.289 -7.946 1.00 0.00 C ATOM 419 C GLU A 28 3.332 -6.663 -6.927 1.00 0.00 C ATOM 420 O GLU A 28 3.886 -5.604 -7.151 1.00 0.00 O ATOM 421 CB GLU A 28 3.087 -7.522 -9.280 1.00 0.00 C ATOM 422 CG GLU A 28 2.523 -8.778 -9.952 1.00 0.00 C ATOM 423 CD GLU A 28 3.478 -9.248 -11.052 1.00 0.00 C ATOM 424 OE1 GLU A 28 4.576 -9.664 -10.720 1.00 0.00 O ATOM 425 OE2 GLU A 28 3.095 -9.184 -12.210 1.00 0.00 O ATOM 0 H GLU A 28 1.466 -5.615 -8.920 1.00 0.00 H new ATOM 0 HA GLU A 28 2.016 -8.218 -7.500 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.954 -6.658 -9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.159 -7.635 -9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.387 -9.568 -9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.541 -8.566 -10.376 1.00 0.00 H new ATOM 432 N LEU A 29 3.544 -7.327 -5.817 1.00 0.00 N ATOM 433 CA LEU A 29 4.486 -6.795 -4.787 1.00 0.00 C ATOM 434 C LEU A 29 5.761 -7.645 -4.776 1.00 0.00 C ATOM 435 O LEU A 29 5.724 -8.825 -4.476 1.00 0.00 O ATOM 436 CB LEU A 29 3.749 -6.912 -3.450 1.00 0.00 C ATOM 437 CG LEU A 29 3.011 -5.603 -3.152 1.00 0.00 C ATOM 438 CD1 LEU A 29 1.954 -5.845 -2.072 1.00 0.00 C ATOM 439 CD2 LEU A 29 4.012 -4.552 -2.657 1.00 0.00 C ATOM 0 H LEU A 29 3.104 -8.216 -5.581 1.00 0.00 H new ATOM 0 HA LEU A 29 4.778 -5.764 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.041 -7.740 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.457 -7.132 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 29 2.527 -5.246 -4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.430 -4.913 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.241 -6.591 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.438 -6.203 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.487 -3.621 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.496 -4.910 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.765 -4.377 -3.425 1.00 0.00 H new ATOM 451 N LEU A 30 6.882 -7.052 -5.110 1.00 0.00 N ATOM 452 CA LEU A 30 8.179 -7.804 -5.140 1.00 0.00 C ATOM 453 C LEU A 30 8.096 -8.995 -6.112 1.00 0.00 C ATOM 454 O LEU A 30 8.735 -10.012 -5.913 1.00 0.00 O ATOM 455 CB LEU A 30 8.405 -8.290 -3.704 1.00 0.00 C ATOM 456 CG LEU A 30 9.879 -8.109 -3.333 1.00 0.00 C ATOM 457 CD1 LEU A 30 10.129 -6.656 -2.926 1.00 0.00 C ATOM 458 CD2 LEU A 30 10.229 -9.033 -2.165 1.00 0.00 C ATOM 0 H LEU A 30 6.955 -6.067 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 30 9.000 -7.177 -5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.773 -7.729 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.122 -9.339 -3.614 1.00 0.00 H new ATOM 0 HG LEU A 30 10.502 -8.358 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.179 -6.528 -2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.881 -5.997 -3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.506 -6.406 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.279 -8.904 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.606 -8.785 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.052 -10.069 -2.455 1.00 0.00 H new ATOM 470 N GLY A 31 7.315 -8.874 -7.162 1.00 0.00 N ATOM 471 CA GLY A 31 7.191 -9.994 -8.147 1.00 0.00 C ATOM 472 C GLY A 31 6.074 -10.966 -7.727 1.00 0.00 C ATOM 473 O GLY A 31 5.721 -11.859 -8.472 1.00 0.00 O ATOM 0 H GLY A 31 6.759 -8.047 -7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.977 -9.592 -9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.138 -10.529 -8.218 1.00 0.00 H new ATOM 477 N HIS A 32 5.518 -10.806 -6.548 1.00 0.00 N ATOM 478 CA HIS A 32 4.432 -11.729 -6.095 1.00 0.00 C ATOM 479 C HIS A 32 3.062 -11.169 -6.487 1.00 0.00 C ATOM 480 O HIS A 32 2.928 -10.001 -6.802 1.00 0.00 O ATOM 481 CB HIS A 32 4.561 -11.789 -4.571 1.00 0.00 C ATOM 482 CG HIS A 32 5.958 -12.195 -4.188 1.00 0.00 C ATOM 483 ND1 HIS A 32 6.588 -13.299 -4.740 1.00 0.00 N ATOM 484 CD2 HIS A 32 6.859 -11.644 -3.316 1.00 0.00 C ATOM 485 CE1 HIS A 32 7.818 -13.375 -4.197 1.00 0.00 C ATOM 486 NE2 HIS A 32 8.034 -12.390 -3.323 1.00 0.00 N ATOM 0 H HIS A 32 5.771 -10.076 -5.882 1.00 0.00 H new ATOM 0 HA HIS A 32 4.520 -12.715 -6.551 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.325 -10.816 -4.139 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.842 -12.501 -4.165 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.684 -10.764 -2.714 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.541 -14.140 -4.439 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.879 -12.220 -2.777 1.00 0.00 H new ATOM 494 N GLU A 33 2.046 -11.992 -6.461 1.00 0.00 N ATOM 495 CA GLU A 33 0.681 -11.509 -6.825 1.00 0.00 C ATOM 496 C GLU A 33 -0.074 -11.051 -5.571 1.00 0.00 C ATOM 497 O GLU A 33 -0.175 -11.771 -4.594 1.00 0.00 O ATOM 498 CB GLU A 33 -0.018 -12.711 -7.470 1.00 0.00 C ATOM 499 CG GLU A 33 -0.128 -12.488 -8.983 1.00 0.00 C ATOM 500 CD GLU A 33 1.221 -12.780 -9.649 1.00 0.00 C ATOM 501 OE1 GLU A 33 2.104 -11.945 -9.545 1.00 0.00 O ATOM 502 OE2 GLU A 33 1.347 -13.832 -10.254 1.00 0.00 O ATOM 0 H GLU A 33 2.103 -12.977 -6.204 1.00 0.00 H new ATOM 0 HA GLU A 33 0.717 -10.655 -7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.542 -13.623 -7.266 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.010 -12.843 -7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.898 -13.136 -9.401 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.431 -11.461 -9.188 1.00 0.00 H new ATOM 509 N CYS A 34 -0.604 -9.856 -5.601 1.00 0.00 N ATOM 510 CA CYS A 34 -1.359 -9.332 -4.425 1.00 0.00 C ATOM 511 C CYS A 34 -2.739 -8.836 -4.866 1.00 0.00 C ATOM 512 O CYS A 34 -3.029 -8.739 -6.044 1.00 0.00 O ATOM 513 CB CYS A 34 -0.521 -8.171 -3.891 1.00 0.00 C ATOM 514 SG CYS A 34 0.948 -8.822 -3.061 1.00 0.00 S ATOM 0 H CYS A 34 -0.546 -9.217 -6.394 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.519 -10.098 -3.666 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.228 -7.513 -4.709 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.110 -7.573 -3.196 1.00 0.00 H new ATOM 519 N LYS A 35 -3.588 -8.520 -3.925 1.00 0.00 N ATOM 520 CA LYS A 35 -4.952 -8.029 -4.276 1.00 0.00 C ATOM 521 C LYS A 35 -5.201 -6.654 -3.646 1.00 0.00 C ATOM 522 O LYS A 35 -5.520 -6.542 -2.477 1.00 0.00 O ATOM 523 CB LYS A 35 -5.911 -9.072 -3.705 1.00 0.00 C ATOM 524 CG LYS A 35 -7.312 -8.853 -4.286 1.00 0.00 C ATOM 525 CD LYS A 35 -7.951 -10.206 -4.619 1.00 0.00 C ATOM 526 CE LYS A 35 -7.853 -10.464 -6.128 1.00 0.00 C ATOM 527 NZ LYS A 35 -9.229 -10.855 -6.554 1.00 0.00 N ATOM 0 H LYS A 35 -3.395 -8.581 -2.925 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.083 -7.908 -5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.559 -10.075 -3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.941 -8.997 -2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.932 -8.313 -3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.252 -8.238 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.448 -11.002 -4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.995 -10.214 -4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.516 -9.573 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.135 -11.255 -6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.235 -11.046 -7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.522 -11.711 -6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.891 -10.081 -6.343 1.00 0.00 H new ATOM 541 N PHE A 36 -5.057 -5.613 -4.423 1.00 0.00 N ATOM 542 CA PHE A 36 -5.285 -4.233 -3.903 1.00 0.00 C ATOM 543 C PHE A 36 -6.529 -3.640 -4.575 1.00 0.00 C ATOM 544 O PHE A 36 -6.707 -3.761 -5.770 1.00 0.00 O ATOM 545 CB PHE A 36 -4.017 -3.460 -4.298 1.00 0.00 C ATOM 546 CG PHE A 36 -4.181 -1.975 -4.037 1.00 0.00 C ATOM 547 CD1 PHE A 36 -4.921 -1.523 -2.935 1.00 0.00 C ATOM 548 CD2 PHE A 36 -3.588 -1.049 -4.905 1.00 0.00 C ATOM 549 CE1 PHE A 36 -5.067 -0.151 -2.704 1.00 0.00 C ATOM 550 CE2 PHE A 36 -3.735 0.322 -4.672 1.00 0.00 C ATOM 551 CZ PHE A 36 -4.474 0.770 -3.574 1.00 0.00 C ATOM 0 H PHE A 36 -4.788 -5.661 -5.406 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.457 -4.197 -2.827 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.165 -3.840 -3.734 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.800 -3.625 -5.353 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.379 -2.235 -2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.017 -1.394 -5.754 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.637 0.197 -1.855 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.277 1.035 -5.341 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.588 1.829 -3.397 1.00 0.00 H new ATOM 561 N THR A 37 -7.398 -3.012 -3.821 1.00 0.00 N ATOM 562 CA THR A 37 -8.630 -2.424 -4.435 1.00 0.00 C ATOM 563 C THR A 37 -9.082 -1.175 -3.664 1.00 0.00 C ATOM 564 O THR A 37 -8.572 -0.862 -2.604 1.00 0.00 O ATOM 565 CB THR A 37 -9.713 -3.515 -4.355 1.00 0.00 C ATOM 566 OG1 THR A 37 -9.117 -4.805 -4.233 1.00 0.00 O ATOM 567 CG2 THR A 37 -10.574 -3.472 -5.622 1.00 0.00 C ATOM 0 H THR A 37 -7.309 -2.881 -2.813 1.00 0.00 H new ATOM 0 HA THR A 37 -8.443 -2.116 -5.464 1.00 0.00 H new ATOM 0 HB THR A 37 -10.332 -3.329 -3.477 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.819 -5.486 -4.182 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.341 -4.244 -5.567 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.048 -2.494 -5.707 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.945 -3.647 -6.495 1.00 0.00 H new ATOM 575 N VAL A 38 -10.045 -0.468 -4.202 1.00 0.00 N ATOM 576 CA VAL A 38 -10.563 0.766 -3.528 1.00 0.00 C ATOM 577 C VAL A 38 -12.096 0.699 -3.436 1.00 0.00 C ATOM 578 O VAL A 38 -12.765 0.336 -4.387 1.00 0.00 O ATOM 579 CB VAL A 38 -10.121 1.934 -4.421 1.00 0.00 C ATOM 580 CG1 VAL A 38 -10.522 3.260 -3.768 1.00 0.00 C ATOM 581 CG2 VAL A 38 -8.600 1.903 -4.600 1.00 0.00 C ATOM 0 H VAL A 38 -10.499 -0.694 -5.087 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.183 0.877 -2.512 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.605 1.841 -5.393 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.208 4.088 -4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.604 3.291 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.040 3.346 -2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.291 2.734 -5.234 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.117 1.991 -3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.308 0.962 -5.066 1.00 0.00 H new ATOM 591 N LYS A 39 -12.656 1.037 -2.298 1.00 0.00 N ATOM 592 CA LYS A 39 -14.142 0.982 -2.143 1.00 0.00 C ATOM 593 C LYS A 39 -14.671 2.271 -1.485 1.00 0.00 C ATOM 594 O LYS A 39 -14.824 2.335 -0.280 1.00 0.00 O ATOM 595 CB LYS A 39 -14.399 -0.231 -1.242 1.00 0.00 C ATOM 596 CG LYS A 39 -14.971 -1.379 -2.077 1.00 0.00 C ATOM 597 CD LYS A 39 -15.025 -2.653 -1.227 1.00 0.00 C ATOM 598 CE LYS A 39 -16.484 -2.991 -0.891 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.886 -4.030 -1.884 1.00 0.00 N ATOM 0 H LYS A 39 -12.147 1.348 -1.471 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.651 0.896 -3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.471 -0.544 -0.763 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.095 0.035 -0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.970 -1.123 -2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.353 -1.544 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.565 -3.481 -1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.454 -2.514 -0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.576 -3.365 0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.119 -2.109 -0.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.873 -4.309 -1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.796 -3.645 -2.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.269 -4.862 -1.785 1.00 0.00 H new ATOM 613 N PRO A 40 -14.941 3.256 -2.309 1.00 0.00 N ATOM 614 CA PRO A 40 -15.469 4.551 -1.806 1.00 0.00 C ATOM 615 C PRO A 40 -16.977 4.444 -1.524 1.00 0.00 C ATOM 616 O PRO A 40 -17.655 3.580 -2.050 1.00 0.00 O ATOM 617 CB PRO A 40 -15.207 5.513 -2.960 1.00 0.00 C ATOM 618 CG PRO A 40 -15.160 4.658 -4.190 1.00 0.00 C ATOM 619 CD PRO A 40 -14.774 3.261 -3.768 1.00 0.00 C ATOM 0 HA PRO A 40 -15.005 4.869 -0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -15.995 6.263 -3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.269 6.049 -2.819 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -16.130 4.652 -4.688 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.438 5.055 -4.903 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.410 2.514 -4.242 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.747 3.031 -4.050 1.00 0.00 H new ATOM 766 N TYR A 48 -17.330 9.363 0.897 1.00 0.00 N ATOM 767 CA TYR A 48 -16.169 8.810 1.657 1.00 0.00 C ATOM 768 C TYR A 48 -15.288 7.964 0.731 1.00 0.00 C ATOM 769 O TYR A 48 -15.746 7.445 -0.267 1.00 0.00 O ATOM 770 CB TYR A 48 -16.787 7.937 2.755 1.00 0.00 C ATOM 771 CG TYR A 48 -17.357 8.815 3.848 1.00 0.00 C ATOM 772 CD1 TYR A 48 -16.530 9.274 4.880 1.00 0.00 C ATOM 773 CD2 TYR A 48 -18.713 9.168 3.829 1.00 0.00 C ATOM 774 CE1 TYR A 48 -17.056 10.085 5.892 1.00 0.00 C ATOM 775 CE2 TYR A 48 -19.239 9.979 4.841 1.00 0.00 C ATOM 776 CZ TYR A 48 -18.411 10.437 5.873 1.00 0.00 C ATOM 777 OH TYR A 48 -18.932 11.237 6.871 1.00 0.00 O ATOM 0 HA TYR A 48 -15.536 9.595 2.071 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -17.572 7.309 2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -16.032 7.269 3.169 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -15.485 9.002 4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -19.352 8.814 3.033 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -16.417 10.439 6.687 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -20.284 10.252 4.826 1.00 0.00 H new ATOM 0 HH TYR A 48 -19.886 11.386 6.706 1.00 0.00 H new ATOM 787 N TYR A 49 -14.027 7.829 1.051 1.00 0.00 N ATOM 788 CA TYR A 49 -13.114 7.024 0.189 1.00 0.00 C ATOM 789 C TYR A 49 -12.372 5.985 1.037 1.00 0.00 C ATOM 790 O TYR A 49 -11.776 6.308 2.049 1.00 0.00 O ATOM 791 CB TYR A 49 -12.134 8.038 -0.398 1.00 0.00 C ATOM 792 CG TYR A 49 -12.808 8.848 -1.485 1.00 0.00 C ATOM 793 CD1 TYR A 49 -13.697 9.875 -1.142 1.00 0.00 C ATOM 794 CD2 TYR A 49 -12.538 8.578 -2.831 1.00 0.00 C ATOM 795 CE1 TYR A 49 -14.314 10.630 -2.146 1.00 0.00 C ATOM 796 CE2 TYR A 49 -13.156 9.333 -3.834 1.00 0.00 C ATOM 797 CZ TYR A 49 -14.044 10.359 -3.491 1.00 0.00 C ATOM 798 OH TYR A 49 -14.652 11.104 -4.481 1.00 0.00 O ATOM 0 H TYR A 49 -13.590 8.243 1.874 1.00 0.00 H new ATOM 0 HA TYR A 49 -13.648 6.477 -0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.771 8.701 0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.265 7.521 -0.805 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.906 10.084 -0.103 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.852 7.787 -3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.999 11.422 -1.882 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -12.948 9.124 -4.873 1.00 0.00 H new ATOM 0 HH TYR A 49 -14.354 10.786 -5.359 1.00 0.00 H new ATOM 808 N LYS A 50 -12.398 4.741 0.634 1.00 0.00 N ATOM 809 CA LYS A 50 -11.694 3.685 1.418 1.00 0.00 C ATOM 810 C LYS A 50 -10.915 2.763 0.480 1.00 0.00 C ATOM 811 O LYS A 50 -11.220 2.657 -0.690 1.00 0.00 O ATOM 812 CB LYS A 50 -12.807 2.914 2.128 1.00 0.00 C ATOM 813 CG LYS A 50 -12.215 2.055 3.249 1.00 0.00 C ATOM 814 CD LYS A 50 -13.050 2.231 4.519 1.00 0.00 C ATOM 815 CE LYS A 50 -12.707 1.120 5.515 1.00 0.00 C ATOM 816 NZ LYS A 50 -12.635 1.794 6.844 1.00 0.00 N ATOM 0 H LYS A 50 -12.877 4.412 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.974 4.102 2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.538 3.610 2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.335 2.282 1.414 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.203 1.007 2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.181 2.345 3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.853 3.206 4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.112 2.200 4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.467 0.339 5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.759 0.644 5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.289 1.120 7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.985 2.604 6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.582 2.129 7.115 1.00 0.00 H new ATOM 830 N GLY A 51 -9.915 2.096 0.988 1.00 0.00 N ATOM 831 CA GLY A 51 -9.117 1.175 0.132 1.00 0.00 C ATOM 832 C GLY A 51 -8.584 0.018 0.977 1.00 0.00 C ATOM 833 O GLY A 51 -8.308 0.171 2.153 1.00 0.00 O ATOM 0 H GLY A 51 -9.616 2.150 1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.735 0.791 -0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.289 1.715 -0.326 1.00 0.00 H new ATOM 837 N ARG A 52 -8.445 -1.140 0.384 1.00 0.00 N ATOM 838 CA ARG A 52 -7.937 -2.321 1.138 1.00 0.00 C ATOM 839 C ARG A 52 -7.039 -3.178 0.236 1.00 0.00 C ATOM 840 O ARG A 52 -7.296 -3.324 -0.946 1.00 0.00 O ATOM 841 CB ARG A 52 -9.195 -3.100 1.531 1.00 0.00 C ATOM 842 CG ARG A 52 -9.532 -2.835 2.999 1.00 0.00 C ATOM 843 CD ARG A 52 -9.037 -4.003 3.858 1.00 0.00 C ATOM 844 NE ARG A 52 -10.197 -4.931 3.955 1.00 0.00 N ATOM 845 CZ ARG A 52 -10.558 -5.400 5.117 1.00 0.00 C ATOM 846 NH1 ARG A 52 -11.385 -4.721 5.867 1.00 0.00 N ATOM 847 NH2 ARG A 52 -10.086 -6.544 5.528 1.00 0.00 N ATOM 0 H ARG A 52 -8.664 -1.317 -0.596 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.340 -2.036 2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.031 -2.803 0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.038 -4.167 1.371 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.067 -1.906 3.328 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.608 -2.712 3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.177 -4.493 3.400 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.722 -3.662 4.844 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.708 -5.199 3.114 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.748 -3.824 5.543 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.668 -5.088 6.776 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.437 -7.068 4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.366 -6.914 6.436 1.00 0.00 H new ATOM 861 N MET A 53 -5.990 -3.748 0.780 1.00 0.00 N ATOM 862 CA MET A 53 -5.086 -4.596 -0.055 1.00 0.00 C ATOM 863 C MET A 53 -4.460 -5.723 0.777 1.00 0.00 C ATOM 864 O MET A 53 -4.243 -5.591 1.969 1.00 0.00 O ATOM 865 CB MET A 53 -4.015 -3.641 -0.599 1.00 0.00 C ATOM 866 CG MET A 53 -2.904 -3.415 0.436 1.00 0.00 C ATOM 867 SD MET A 53 -1.408 -4.282 -0.098 1.00 0.00 S ATOM 868 CE MET A 53 -0.993 -3.188 -1.478 1.00 0.00 C ATOM 0 H MET A 53 -5.723 -3.663 1.761 1.00 0.00 H new ATOM 0 HA MET A 53 -5.628 -5.088 -0.862 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.587 -4.051 -1.514 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.472 -2.687 -0.861 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.702 -2.349 0.544 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.221 -3.780 1.413 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.139 -3.718 -2.419 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.638 -2.309 -1.452 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.048 -2.877 -1.395 1.00 0.00 H new ATOM 878 N TRP A 54 -4.169 -6.829 0.142 1.00 0.00 N ATOM 879 CA TRP A 54 -3.551 -7.986 0.867 1.00 0.00 C ATOM 880 C TRP A 54 -2.951 -8.982 -0.131 1.00 0.00 C ATOM 881 O TRP A 54 -3.399 -9.092 -1.255 1.00 0.00 O ATOM 882 CB TRP A 54 -4.694 -8.631 1.666 1.00 0.00 C ATOM 883 CG TRP A 54 -5.745 -9.166 0.738 1.00 0.00 C ATOM 884 CD1 TRP A 54 -5.776 -10.424 0.237 1.00 0.00 C ATOM 885 CD2 TRP A 54 -6.912 -8.481 0.195 1.00 0.00 C ATOM 886 NE1 TRP A 54 -6.890 -10.554 -0.574 1.00 0.00 N ATOM 887 CE2 TRP A 54 -7.621 -9.384 -0.631 1.00 0.00 C ATOM 888 CE3 TRP A 54 -7.420 -7.178 0.342 1.00 0.00 C ATOM 889 CZ2 TRP A 54 -8.791 -9.006 -1.290 1.00 0.00 C ATOM 890 CZ3 TRP A 54 -8.597 -6.795 -0.320 1.00 0.00 C ATOM 891 CH2 TRP A 54 -9.281 -7.707 -1.135 1.00 0.00 C ATOM 0 H TRP A 54 -4.333 -6.984 -0.853 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.738 -7.669 1.521 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.303 -9.438 2.286 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.135 -7.896 2.340 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.051 -11.199 0.437 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -7.140 -11.410 -1.069 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -6.901 -6.467 0.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -9.315 -9.713 -1.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -8.978 -5.791 -0.201 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -10.186 -7.406 -1.642 1.00 0.00 H new ATOM 902 N CYS A 55 -1.938 -9.709 0.270 1.00 0.00 N ATOM 903 CA CYS A 55 -1.308 -10.694 -0.660 1.00 0.00 C ATOM 904 C CYS A 55 -1.590 -12.133 -0.200 1.00 0.00 C ATOM 905 O CYS A 55 -0.847 -12.685 0.589 1.00 0.00 O ATOM 906 CB CYS A 55 0.193 -10.398 -0.601 1.00 0.00 C ATOM 907 SG CYS A 55 0.498 -8.685 -1.099 1.00 0.00 S ATOM 0 H CYS A 55 -1.521 -9.663 1.200 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.703 -10.606 -1.672 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.567 -10.565 0.409 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.734 -11.079 -1.258 1.00 0.00 H new ATOM 912 N PRO A 56 -2.655 -12.698 -0.722 1.00 0.00 N ATOM 913 CA PRO A 56 -3.029 -14.092 -0.370 1.00 0.00 C ATOM 914 C PRO A 56 -2.082 -15.087 -1.063 1.00 0.00 C ATOM 915 O PRO A 56 -2.339 -15.545 -2.162 1.00 0.00 O ATOM 916 CB PRO A 56 -4.457 -14.226 -0.898 1.00 0.00 C ATOM 917 CG PRO A 56 -4.562 -13.216 -1.997 1.00 0.00 C ATOM 918 CD PRO A 56 -3.603 -12.099 -1.673 1.00 0.00 C ATOM 0 HA PRO A 56 -2.960 -14.303 0.697 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.647 -15.233 -1.269 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.188 -14.032 -0.113 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.316 -13.667 -2.958 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.581 -12.837 -2.075 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.095 -11.739 -2.568 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.120 -11.245 -1.235 1.00 0.00 H new ATOM 926 N GLY A 57 -0.985 -15.412 -0.425 1.00 0.00 N ATOM 927 CA GLY A 57 -0.009 -16.362 -1.033 1.00 0.00 C ATOM 928 C GLY A 57 1.414 -15.975 -0.617 1.00 0.00 C ATOM 929 O GLY A 57 2.196 -16.810 -0.206 1.00 0.00 O ATOM 0 H GLY A 57 -0.724 -15.057 0.495 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.228 -17.380 -0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.098 -16.345 -2.119 1.00 0.00 H new ATOM 933 N TRP A 58 1.751 -14.711 -0.721 1.00 0.00 N ATOM 934 CA TRP A 58 3.124 -14.260 -0.329 1.00 0.00 C ATOM 935 C TRP A 58 3.285 -14.318 1.193 1.00 0.00 C ATOM 936 O TRP A 58 4.231 -14.886 1.704 1.00 0.00 O ATOM 937 CB TRP A 58 3.232 -12.815 -0.829 1.00 0.00 C ATOM 938 CG TRP A 58 4.617 -12.290 -0.594 1.00 0.00 C ATOM 939 CD1 TRP A 58 5.753 -13.025 -0.648 1.00 0.00 C ATOM 940 CD2 TRP A 58 5.025 -10.931 -0.266 1.00 0.00 C ATOM 941 NE1 TRP A 58 6.829 -12.204 -0.374 1.00 0.00 N ATOM 942 CE2 TRP A 58 6.433 -10.903 -0.135 1.00 0.00 C ATOM 943 CE3 TRP A 58 4.316 -9.731 -0.075 1.00 0.00 C ATOM 944 CZ2 TRP A 58 7.114 -9.725 0.177 1.00 0.00 C ATOM 945 CZ3 TRP A 58 4.997 -8.545 0.238 1.00 0.00 C ATOM 946 CH2 TRP A 58 6.394 -8.542 0.363 1.00 0.00 C ATOM 0 H TRP A 58 1.134 -13.973 -1.060 1.00 0.00 H new ATOM 0 HA TRP A 58 3.902 -14.894 -0.755 1.00 0.00 H new ATOM 0 HB2 TRP A 58 2.994 -12.771 -1.892 1.00 0.00 H new ATOM 0 HB3 TRP A 58 2.505 -12.188 -0.313 1.00 0.00 H new ATOM 0 HD1 TRP A 58 5.808 -14.081 -0.869 1.00 0.00 H new ATOM 0 HE1 TRP A 58 7.798 -12.520 -0.351 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.240 -9.723 -0.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.190 -9.728 0.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 4.443 -7.630 0.383 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.913 -7.626 0.603 1.00 0.00 H new ATOM 957 N THR A 59 2.361 -13.736 1.916 1.00 0.00 N ATOM 958 CA THR A 59 2.443 -13.752 3.404 1.00 0.00 C ATOM 959 C THR A 59 1.033 -13.671 4.006 1.00 0.00 C ATOM 960 O THR A 59 0.043 -13.788 3.308 1.00 0.00 O ATOM 961 CB THR A 59 3.287 -12.522 3.780 1.00 0.00 C ATOM 962 OG1 THR A 59 3.608 -12.577 5.165 1.00 0.00 O ATOM 963 CG2 THR A 59 2.507 -11.236 3.487 1.00 0.00 C ATOM 0 H THR A 59 1.550 -13.249 1.535 1.00 0.00 H new ATOM 0 HA THR A 59 2.894 -14.667 3.788 1.00 0.00 H new ATOM 0 HB THR A 59 4.202 -12.523 3.188 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.543 -11.679 5.552 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.115 -10.372 3.757 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.265 -11.191 2.425 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.586 -11.228 4.070 1.00 0.00 H new ATOM 971 N ALA A 60 0.939 -13.471 5.293 1.00 0.00 N ATOM 972 CA ALA A 60 -0.400 -13.383 5.948 1.00 0.00 C ATOM 973 C ALA A 60 -0.587 -12.007 6.597 1.00 0.00 C ATOM 974 O ALA A 60 -0.754 -11.890 7.798 1.00 0.00 O ATOM 975 CB ALA A 60 -0.399 -14.493 7.004 1.00 0.00 C ATOM 0 H ALA A 60 1.735 -13.364 5.922 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.218 -13.503 5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.353 -14.494 7.531 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.252 -15.457 6.518 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.408 -14.318 7.715 1.00 0.00 H new ATOM 981 N ILE A 61 -0.566 -10.962 5.807 1.00 0.00 N ATOM 982 CA ILE A 61 -0.748 -9.590 6.365 1.00 0.00 C ATOM 983 C ILE A 61 -1.671 -8.771 5.453 1.00 0.00 C ATOM 984 O ILE A 61 -1.723 -8.985 4.256 1.00 0.00 O ATOM 985 CB ILE A 61 0.665 -8.985 6.429 1.00 0.00 C ATOM 986 CG1 ILE A 61 0.700 -7.891 7.499 1.00 0.00 C ATOM 987 CG2 ILE A 61 1.056 -8.375 5.079 1.00 0.00 C ATOM 988 CD1 ILE A 61 2.154 -7.526 7.799 1.00 0.00 C ATOM 0 H ILE A 61 -0.430 -11.002 4.797 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.215 -9.598 7.350 1.00 0.00 H new ATOM 0 HB ILE A 61 1.371 -9.778 6.676 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.156 -7.012 7.155 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.205 -8.237 8.406 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.059 -7.953 5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.039 -9.149 4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.348 -7.589 4.817 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.184 -6.747 8.561 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.683 -8.408 8.161 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.633 -7.163 6.890 1.00 0.00 H new ATOM 1000 N ARG A 62 -2.398 -7.837 6.011 1.00 0.00 N ATOM 1001 CA ARG A 62 -3.318 -7.004 5.178 1.00 0.00 C ATOM 1002 C ARG A 62 -3.182 -5.524 5.542 1.00 0.00 C ATOM 1003 O ARG A 62 -2.774 -5.174 6.635 1.00 0.00 O ATOM 1004 CB ARG A 62 -4.749 -7.502 5.457 1.00 0.00 C ATOM 1005 CG ARG A 62 -4.879 -8.067 6.882 1.00 0.00 C ATOM 1006 CD ARG A 62 -4.580 -9.573 6.872 1.00 0.00 C ATOM 1007 NE ARG A 62 -5.598 -10.182 7.775 1.00 0.00 N ATOM 1008 CZ ARG A 62 -6.729 -10.619 7.286 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -6.793 -11.816 6.765 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -7.793 -9.859 7.321 1.00 0.00 N ATOM 0 H ARG A 62 -2.395 -7.615 7.007 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.075 -7.098 4.120 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.454 -6.681 5.324 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.016 -8.272 4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.188 -7.554 7.551 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.884 -7.889 7.264 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.653 -9.982 5.864 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.569 -9.776 7.226 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.412 -10.258 8.775 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.962 -12.407 6.741 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.674 -12.159 6.383 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.740 -8.926 7.730 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.676 -10.199 6.940 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.525 -4.657 4.625 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.422 -3.192 4.895 1.00 0.00 C ATOM 1026 C GLY A 63 -4.663 -2.483 4.354 1.00 0.00 C ATOM 1027 O GLY A 63 -5.278 -2.931 3.405 1.00 0.00 O ATOM 0 H GLY A 63 -3.873 -4.901 3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.328 -3.015 5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.526 -2.787 4.425 1.00 0.00 H new ATOM 1031 N GLU A 64 -5.040 -1.383 4.952 1.00 0.00 N ATOM 1032 CA GLU A 64 -6.245 -0.646 4.474 1.00 0.00 C ATOM 1033 C GLU A 64 -6.176 0.829 4.882 1.00 0.00 C ATOM 1034 O GLU A 64 -5.469 1.199 5.800 1.00 0.00 O ATOM 1035 CB GLU A 64 -7.449 -1.340 5.134 1.00 0.00 C ATOM 1036 CG GLU A 64 -7.171 -1.650 6.617 1.00 0.00 C ATOM 1037 CD GLU A 64 -7.476 -0.419 7.479 1.00 0.00 C ATOM 1038 OE1 GLU A 64 -8.529 0.171 7.292 1.00 0.00 O ATOM 1039 OE2 GLU A 64 -6.650 -0.093 8.316 1.00 0.00 O ATOM 0 H GLU A 64 -4.565 -0.964 5.751 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.320 -0.665 3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.329 -0.702 5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.675 -2.265 4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.783 -2.492 6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.130 -1.945 6.746 1.00 0.00 H new ATOM 1046 N ALA A 65 -6.907 1.673 4.195 1.00 0.00 N ATOM 1047 CA ALA A 65 -6.893 3.132 4.530 1.00 0.00 C ATOM 1048 C ALA A 65 -8.268 3.763 4.275 1.00 0.00 C ATOM 1049 O ALA A 65 -8.996 3.357 3.386 1.00 0.00 O ATOM 1050 CB ALA A 65 -5.846 3.744 3.599 1.00 0.00 C ATOM 0 H ALA A 65 -7.513 1.415 3.416 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.661 3.304 5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.777 4.816 3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.878 3.280 3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.136 3.573 2.562 1.00 0.00 H new ATOM 1056 N SER A 66 -8.626 4.760 5.049 1.00 0.00 N ATOM 1057 CA SER A 66 -9.951 5.432 4.858 1.00 0.00 C ATOM 1058 C SER A 66 -9.801 6.953 4.989 1.00 0.00 C ATOM 1059 O SER A 66 -9.091 7.444 5.847 1.00 0.00 O ATOM 1060 CB SER A 66 -10.862 4.902 5.971 1.00 0.00 C ATOM 1061 OG SER A 66 -10.588 3.525 6.214 1.00 0.00 O ATOM 0 H SER A 66 -8.057 5.138 5.806 1.00 0.00 H new ATOM 0 HA SER A 66 -10.360 5.224 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.707 5.478 6.883 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.907 5.028 5.687 1.00 0.00 H new ATOM 0 HG SER A 66 -10.332 3.403 7.152 1.00 0.00 H new ATOM 1067 N THR A 67 -10.474 7.693 4.141 1.00 0.00 N ATOM 1068 CA THR A 67 -10.400 9.192 4.184 1.00 0.00 C ATOM 1069 C THR A 67 -11.280 9.790 3.072 1.00 0.00 C ATOM 1070 O THR A 67 -12.126 9.118 2.514 1.00 0.00 O ATOM 1071 CB THR A 67 -8.914 9.537 3.962 1.00 0.00 C ATOM 1072 OG1 THR A 67 -8.747 10.951 3.927 1.00 0.00 O ATOM 1073 CG2 THR A 67 -8.421 8.932 2.644 1.00 0.00 C ATOM 0 H THR A 67 -11.080 7.319 3.411 1.00 0.00 H new ATOM 0 HA THR A 67 -10.762 9.599 5.128 1.00 0.00 H new ATOM 0 HB THR A 67 -8.331 9.122 4.784 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.801 11.165 3.787 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.370 9.183 2.499 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.534 7.848 2.676 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.007 9.334 1.818 1.00 0.00 H new ATOM 1081 N ARG A 68 -11.081 11.043 2.748 1.00 0.00 N ATOM 1082 CA ARG A 68 -11.894 11.687 1.668 1.00 0.00 C ATOM 1083 C ARG A 68 -11.098 11.728 0.352 1.00 0.00 C ATOM 1084 O ARG A 68 -11.667 11.800 -0.718 1.00 0.00 O ATOM 1085 CB ARG A 68 -12.188 13.104 2.169 1.00 0.00 C ATOM 1086 CG ARG A 68 -13.690 13.390 2.054 1.00 0.00 C ATOM 1087 CD ARG A 68 -13.965 14.216 0.793 1.00 0.00 C ATOM 1088 NE ARG A 68 -15.423 14.036 0.521 1.00 0.00 N ATOM 1089 CZ ARG A 68 -16.275 14.974 0.849 1.00 0.00 C ATOM 1090 NH1 ARG A 68 -16.262 16.120 0.217 1.00 0.00 N ATOM 1091 NH2 ARG A 68 -17.140 14.764 1.809 1.00 0.00 N ATOM 0 H ARG A 68 -10.388 11.651 3.186 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.812 11.135 1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.866 13.208 3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.624 13.831 1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.246 12.453 2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -14.036 13.929 2.936 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -13.720 15.267 0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.362 13.868 -0.046 1.00 0.00 H new ATOM 0 HE ARG A 68 -15.756 13.179 0.078 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.588 16.282 -0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.926 16.851 0.473 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -17.149 13.870 2.300 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.804 15.494 2.066 1.00 0.00 H new ATOM 1105 N SER A 69 -9.787 11.686 0.422 1.00 0.00 N ATOM 1106 CA SER A 69 -8.960 11.721 -0.828 1.00 0.00 C ATOM 1107 C SER A 69 -9.266 10.501 -1.708 1.00 0.00 C ATOM 1108 O SER A 69 -9.670 9.459 -1.225 1.00 0.00 O ATOM 1109 CB SER A 69 -7.503 11.680 -0.360 1.00 0.00 C ATOM 1110 OG SER A 69 -7.321 12.593 0.717 1.00 0.00 O ATOM 0 H SER A 69 -9.255 11.629 1.290 1.00 0.00 H new ATOM 0 HA SER A 69 -9.171 12.609 -1.423 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.241 10.671 -0.043 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.838 11.938 -1.185 1.00 0.00 H new ATOM 0 HG SER A 69 -6.388 12.564 1.016 1.00 0.00 H new ATOM 1116 N GLN A 70 -9.072 10.631 -2.995 1.00 0.00 N ATOM 1117 CA GLN A 70 -9.346 9.492 -3.924 1.00 0.00 C ATOM 1118 C GLN A 70 -8.068 8.674 -4.160 1.00 0.00 C ATOM 1119 O GLN A 70 -8.034 7.484 -3.914 1.00 0.00 O ATOM 1120 CB GLN A 70 -9.821 10.152 -5.224 1.00 0.00 C ATOM 1121 CG GLN A 70 -10.382 9.088 -6.172 1.00 0.00 C ATOM 1122 CD GLN A 70 -11.194 9.768 -7.278 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -10.731 10.705 -7.896 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -12.392 9.333 -7.557 1.00 0.00 N ATOM 0 H GLN A 70 -8.734 11.481 -3.445 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.087 8.799 -3.525 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.586 10.897 -5.006 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -8.992 10.676 -5.700 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.568 8.508 -6.608 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.012 8.390 -5.621 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.782 8.546 -7.039 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.938 9.780 -8.293 1.00 0.00 H new ATOM 1133 N SER A 71 -7.019 9.304 -4.629 1.00 0.00 N ATOM 1134 CA SER A 71 -5.743 8.567 -4.874 1.00 0.00 C ATOM 1135 C SER A 71 -4.955 8.408 -3.566 1.00 0.00 C ATOM 1136 O SER A 71 -4.205 7.466 -3.398 1.00 0.00 O ATOM 1137 CB SER A 71 -4.963 9.427 -5.873 1.00 0.00 C ATOM 1138 OG SER A 71 -4.865 10.760 -5.382 1.00 0.00 O ATOM 0 H SER A 71 -6.993 10.299 -4.853 1.00 0.00 H new ATOM 0 HA SER A 71 -5.921 7.563 -5.258 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.967 9.011 -6.026 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.463 9.421 -6.841 1.00 0.00 H new ATOM 0 HG SER A 71 -4.364 11.308 -6.022 1.00 0.00 H new ATOM 1144 N GLY A 72 -5.119 9.327 -2.641 1.00 0.00 N ATOM 1145 CA GLY A 72 -4.382 9.240 -1.342 1.00 0.00 C ATOM 1146 C GLY A 72 -4.746 7.943 -0.610 1.00 0.00 C ATOM 1147 O GLY A 72 -3.882 7.258 -0.095 1.00 0.00 O ATOM 0 H GLY A 72 -5.734 10.135 -2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.308 9.275 -1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.628 10.099 -0.718 1.00 0.00 H new ATOM 1151 N VAL A 73 -6.015 7.604 -0.555 1.00 0.00 N ATOM 1152 CA VAL A 73 -6.430 6.349 0.152 1.00 0.00 C ATOM 1153 C VAL A 73 -5.744 5.126 -0.474 1.00 0.00 C ATOM 1154 O VAL A 73 -5.342 4.212 0.221 1.00 0.00 O ATOM 1155 CB VAL A 73 -7.962 6.274 0.001 1.00 0.00 C ATOM 1156 CG1 VAL A 73 -8.348 5.692 -1.362 1.00 0.00 C ATOM 1157 CG2 VAL A 73 -8.537 5.386 1.109 1.00 0.00 C ATOM 0 H VAL A 73 -6.778 8.141 -0.968 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.139 6.357 1.202 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.368 7.283 0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.434 5.649 -1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.948 6.325 -2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.937 4.687 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.621 5.331 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.113 4.385 1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.287 5.810 2.082 1.00 0.00 H new ATOM 1167 N ALA A 74 -5.597 5.111 -1.777 1.00 0.00 N ATOM 1168 CA ALA A 74 -4.926 3.954 -2.442 1.00 0.00 C ATOM 1169 C ALA A 74 -3.460 3.889 -2.013 1.00 0.00 C ATOM 1170 O ALA A 74 -2.965 2.845 -1.635 1.00 0.00 O ATOM 1171 CB ALA A 74 -5.041 4.223 -3.945 1.00 0.00 C ATOM 0 H ALA A 74 -5.913 5.849 -2.406 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.382 3.001 -2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.568 3.411 -4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.093 4.287 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.544 5.163 -4.185 1.00 0.00 H new ATOM 1177 N GLY A 75 -2.770 5.001 -2.054 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.343 5.014 -1.629 1.00 0.00 C ATOM 1179 C GLY A 75 -1.266 4.657 -0.144 1.00 0.00 C ATOM 1180 O GLY A 75 -0.396 3.926 0.281 1.00 0.00 O ATOM 0 H GLY A 75 -3.137 5.901 -2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.767 4.301 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.906 5.997 -1.804 1.00 0.00 H new ATOM 1184 N LYS A 76 -2.187 5.159 0.644 1.00 0.00 N ATOM 1185 CA LYS A 76 -2.190 4.847 2.104 1.00 0.00 C ATOM 1186 C LYS A 76 -2.400 3.345 2.326 1.00 0.00 C ATOM 1187 O LYS A 76 -1.755 2.744 3.159 1.00 0.00 O ATOM 1188 CB LYS A 76 -3.362 5.646 2.688 1.00 0.00 C ATOM 1189 CG LYS A 76 -2.851 6.966 3.274 1.00 0.00 C ATOM 1190 CD LYS A 76 -3.275 7.083 4.742 1.00 0.00 C ATOM 1191 CE LYS A 76 -2.689 5.912 5.543 1.00 0.00 C ATOM 1192 NZ LYS A 76 -2.374 6.468 6.891 1.00 0.00 N ATOM 0 H LYS A 76 -2.939 5.774 0.334 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.245 5.110 2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.101 5.844 1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.861 5.063 3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.765 7.013 3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.248 7.805 2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.928 8.030 5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.362 7.081 4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.401 5.090 5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.794 5.517 5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.970 5.720 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.687 7.243 6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.245 6.829 7.330 1.00 0.00 H new ATOM 1206 N THR A 77 -3.294 2.733 1.585 1.00 0.00 N ATOM 1207 CA THR A 77 -3.536 1.268 1.757 1.00 0.00 C ATOM 1208 C THR A 77 -2.259 0.484 1.430 1.00 0.00 C ATOM 1209 O THR A 77 -1.907 -0.458 2.115 1.00 0.00 O ATOM 1210 CB THR A 77 -4.662 0.924 0.771 1.00 0.00 C ATOM 1211 OG1 THR A 77 -5.860 1.573 1.176 1.00 0.00 O ATOM 1212 CG2 THR A 77 -4.890 -0.589 0.742 1.00 0.00 C ATOM 0 H THR A 77 -3.864 3.185 0.871 1.00 0.00 H new ATOM 0 HA THR A 77 -3.811 1.010 2.780 1.00 0.00 H new ATOM 0 HB THR A 77 -4.378 1.262 -0.226 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.900 2.466 0.775 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.690 -0.823 0.040 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.974 -1.089 0.428 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.168 -0.934 1.738 1.00 0.00 H new ATOM 1220 N ALA A 78 -1.562 0.875 0.395 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.304 0.166 0.030 1.00 0.00 C ATOM 1222 C ALA A 78 0.826 0.577 0.982 1.00 0.00 C ATOM 1223 O ALA A 78 1.655 -0.230 1.358 1.00 0.00 O ATOM 1224 CB ALA A 78 0.003 0.612 -1.401 1.00 0.00 C ATOM 0 H ALA A 78 -1.811 1.655 -0.212 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.401 -0.917 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.919 0.131 -1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.822 0.329 -2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.130 1.694 -1.425 1.00 0.00 H new ATOM 1230 N LYS A 79 0.854 1.827 1.382 1.00 0.00 N ATOM 1231 CA LYS A 79 1.922 2.301 2.315 1.00 0.00 C ATOM 1232 C LYS A 79 1.726 1.679 3.700 1.00 0.00 C ATOM 1233 O LYS A 79 2.680 1.316 4.362 1.00 0.00 O ATOM 1234 CB LYS A 79 1.759 3.823 2.380 1.00 0.00 C ATOM 1235 CG LYS A 79 3.112 4.477 2.676 1.00 0.00 C ATOM 1236 CD LYS A 79 3.190 4.857 4.158 1.00 0.00 C ATOM 1237 CE LYS A 79 2.349 6.112 4.420 1.00 0.00 C ATOM 1238 NZ LYS A 79 3.296 7.257 4.278 1.00 0.00 N ATOM 0 H LYS A 79 0.181 2.540 1.101 1.00 0.00 H new ATOM 0 HA LYS A 79 2.918 2.017 1.976 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.363 4.196 1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.039 4.088 3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.921 3.791 2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.241 5.364 2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.830 4.032 4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.227 5.038 4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.527 6.191 3.708 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.907 6.088 5.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.789 8.150 4.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.064 7.161 4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.696 7.260 3.318 1.00 0.00 H new ATOM 1252 N ASP A 80 0.495 1.547 4.137 1.00 0.00 N ATOM 1253 CA ASP A 80 0.236 0.938 5.476 1.00 0.00 C ATOM 1254 C ASP A 80 0.585 -0.554 5.426 1.00 0.00 C ATOM 1255 O ASP A 80 1.092 -1.112 6.380 1.00 0.00 O ATOM 1256 CB ASP A 80 -1.264 1.146 5.741 1.00 0.00 C ATOM 1257 CG ASP A 80 -1.562 2.617 6.094 1.00 0.00 C ATOM 1258 OD1 ASP A 80 -0.740 3.473 5.799 1.00 0.00 O ATOM 1259 OD2 ASP A 80 -2.621 2.862 6.647 1.00 0.00 O ATOM 0 H ASP A 80 -0.338 1.835 3.624 1.00 0.00 H new ATOM 0 HA ASP A 80 0.837 1.388 6.267 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.837 0.856 4.860 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.586 0.500 6.557 1.00 0.00 H new ATOM 1264 N PHE A 81 0.336 -1.195 4.307 1.00 0.00 N ATOM 1265 CA PHE A 81 0.671 -2.644 4.174 1.00 0.00 C ATOM 1266 C PHE A 81 2.194 -2.828 4.213 1.00 0.00 C ATOM 1267 O PHE A 81 2.699 -3.743 4.837 1.00 0.00 O ATOM 1268 CB PHE A 81 0.104 -3.053 2.807 1.00 0.00 C ATOM 1269 CG PHE A 81 0.456 -4.493 2.505 1.00 0.00 C ATOM 1270 CD1 PHE A 81 1.693 -4.806 1.927 1.00 0.00 C ATOM 1271 CD2 PHE A 81 -0.458 -5.512 2.795 1.00 0.00 C ATOM 1272 CE1 PHE A 81 2.016 -6.136 1.643 1.00 0.00 C ATOM 1273 CE2 PHE A 81 -0.134 -6.844 2.510 1.00 0.00 C ATOM 1274 CZ PHE A 81 1.103 -7.156 1.934 1.00 0.00 C ATOM 0 H PHE A 81 -0.086 -0.773 3.480 1.00 0.00 H new ATOM 0 HA PHE A 81 0.257 -3.250 4.979 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.979 -2.927 2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.504 -2.402 2.030 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.398 -4.019 1.701 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.413 -5.271 3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.971 -6.377 1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.839 -7.631 2.735 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.353 -8.183 1.714 1.00 0.00 H new ATOM 1284 N VAL A 82 2.927 -1.955 3.559 1.00 0.00 N ATOM 1285 CA VAL A 82 4.417 -2.072 3.566 1.00 0.00 C ATOM 1286 C VAL A 82 4.946 -1.862 4.989 1.00 0.00 C ATOM 1287 O VAL A 82 5.866 -2.532 5.415 1.00 0.00 O ATOM 1288 CB VAL A 82 4.926 -0.970 2.628 1.00 0.00 C ATOM 1289 CG1 VAL A 82 6.459 -0.968 2.617 1.00 0.00 C ATOM 1290 CG2 VAL A 82 4.413 -1.230 1.208 1.00 0.00 C ATOM 0 H VAL A 82 2.556 -1.170 3.023 1.00 0.00 H new ATOM 0 HA VAL A 82 4.754 -3.055 3.237 1.00 0.00 H new ATOM 0 HB VAL A 82 4.563 -0.004 2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.817 -0.184 1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.830 -0.784 3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.822 -1.935 2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.775 -0.447 0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.776 -2.198 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.323 -1.231 1.209 1.00 0.00 H new ATOM 1300 N ARG A 83 4.363 -0.945 5.728 1.00 0.00 N ATOM 1301 CA ARG A 83 4.828 -0.708 7.131 1.00 0.00 C ATOM 1302 C ARG A 83 4.584 -1.965 7.977 1.00 0.00 C ATOM 1303 O ARG A 83 5.411 -2.342 8.786 1.00 0.00 O ATOM 1304 CB ARG A 83 3.998 0.472 7.648 1.00 0.00 C ATOM 1305 CG ARG A 83 4.737 1.154 8.807 1.00 0.00 C ATOM 1306 CD ARG A 83 5.884 2.016 8.260 1.00 0.00 C ATOM 1307 NE ARG A 83 6.480 2.676 9.461 1.00 0.00 N ATOM 1308 CZ ARG A 83 7.732 2.462 9.782 1.00 0.00 C ATOM 1309 NH1 ARG A 83 8.105 1.290 10.233 1.00 0.00 N ATOM 1310 NH2 ARG A 83 8.609 3.424 9.667 1.00 0.00 N ATOM 0 H ARG A 83 3.590 -0.355 5.421 1.00 0.00 H new ATOM 0 HA ARG A 83 5.895 -0.489 7.182 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.824 1.187 6.844 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.021 0.123 7.982 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.045 1.774 9.377 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.130 0.402 9.492 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.622 1.406 7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.517 2.753 7.546 1.00 0.00 H new ATOM 0 HE ARG A 83 5.909 3.297 10.034 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.420 0.541 10.335 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.080 1.126 10.482 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.319 4.341 9.327 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.584 3.258 9.917 1.00 0.00 H new ATOM 1324 N LYS A 84 3.465 -2.631 7.779 1.00 0.00 N ATOM 1325 CA LYS A 84 3.188 -3.876 8.559 1.00 0.00 C ATOM 1326 C LYS A 84 4.146 -4.986 8.110 1.00 0.00 C ATOM 1327 O LYS A 84 4.577 -5.803 8.899 1.00 0.00 O ATOM 1328 CB LYS A 84 1.736 -4.244 8.242 1.00 0.00 C ATOM 1329 CG LYS A 84 0.796 -3.390 9.096 1.00 0.00 C ATOM 1330 CD LYS A 84 -0.657 -3.730 8.753 1.00 0.00 C ATOM 1331 CE LYS A 84 -1.091 -4.975 9.533 1.00 0.00 C ATOM 1332 NZ LYS A 84 -2.580 -4.916 9.562 1.00 0.00 N ATOM 0 H LYS A 84 2.739 -2.364 7.114 1.00 0.00 H new ATOM 0 HA LYS A 84 3.333 -3.738 9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.531 -4.082 7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.566 -5.302 8.441 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.983 -3.572 10.154 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.985 -2.332 8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.306 -2.889 9.000 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.757 -3.906 7.682 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.742 -5.886 9.047 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.677 -4.973 10.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.947 -5.700 10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.884 -4.011 9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.950 -4.995 8.593 1.00 0.00 H new ATOM 1346 N ALA A 85 4.500 -5.005 6.849 1.00 0.00 N ATOM 1347 CA ALA A 85 5.458 -6.038 6.359 1.00 0.00 C ATOM 1348 C ALA A 85 6.879 -5.659 6.799 1.00 0.00 C ATOM 1349 O ALA A 85 7.727 -6.509 6.991 1.00 0.00 O ATOM 1350 CB ALA A 85 5.336 -6.016 4.833 1.00 0.00 C ATOM 0 H ALA A 85 4.167 -4.351 6.141 1.00 0.00 H new ATOM 0 HA ALA A 85 5.246 -7.031 6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.014 -6.753 4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.312 -6.255 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.595 -5.025 4.462 1.00 0.00 H new ATOM 1356 N PHE A 86 7.130 -4.380 6.974 1.00 0.00 N ATOM 1357 CA PHE A 86 8.479 -3.918 7.419 1.00 0.00 C ATOM 1358 C PHE A 86 8.713 -4.313 8.885 1.00 0.00 C ATOM 1359 O PHE A 86 9.788 -4.746 9.251 1.00 0.00 O ATOM 1360 CB PHE A 86 8.447 -2.388 7.284 1.00 0.00 C ATOM 1361 CG PHE A 86 9.564 -1.917 6.380 1.00 0.00 C ATOM 1362 CD1 PHE A 86 10.899 -2.147 6.734 1.00 0.00 C ATOM 1363 CD2 PHE A 86 9.264 -1.238 5.193 1.00 0.00 C ATOM 1364 CE1 PHE A 86 11.932 -1.701 5.901 1.00 0.00 C ATOM 1365 CE2 PHE A 86 10.297 -0.791 4.360 1.00 0.00 C ATOM 1366 CZ PHE A 86 11.631 -1.022 4.714 1.00 0.00 C ATOM 0 H PHE A 86 6.450 -3.634 6.825 1.00 0.00 H new ATOM 0 HA PHE A 86 9.280 -4.364 6.829 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.485 -2.072 6.880 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.547 -1.927 8.267 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.132 -2.669 7.650 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.235 -1.059 4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.961 -1.881 6.174 1.00 0.00 H new ATOM 0 HE2 PHE A 86 10.064 -0.268 3.444 1.00 0.00 H new ATOM 0 HZ PHE A 86 12.428 -0.677 4.072 1.00 0.00 H new ATOM 1376 N GLN A 87 7.714 -4.161 9.726 1.00 0.00 N ATOM 1377 CA GLN A 87 7.886 -4.525 11.172 1.00 0.00 C ATOM 1378 C GLN A 87 8.059 -6.044 11.330 1.00 0.00 C ATOM 1379 O GLN A 87 8.813 -6.502 12.168 1.00 0.00 O ATOM 1380 CB GLN A 87 6.617 -4.033 11.890 1.00 0.00 C ATOM 1381 CG GLN A 87 5.362 -4.633 11.249 1.00 0.00 C ATOM 1382 CD GLN A 87 4.137 -4.318 12.112 1.00 0.00 C ATOM 1383 OE1 GLN A 87 3.622 -5.183 12.793 1.00 0.00 O ATOM 1384 NE2 GLN A 87 3.641 -3.110 12.107 1.00 0.00 N ATOM 0 H GLN A 87 6.792 -3.803 9.476 1.00 0.00 H new ATOM 0 HA GLN A 87 8.778 -4.065 11.597 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.660 -4.309 12.944 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.568 -2.945 11.847 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.226 -4.228 10.246 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.477 -5.712 11.144 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.073 -2.384 11.536 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.822 -2.893 12.674 1.00 0.00 H new ATOM 1393 N LYS A 88 7.375 -6.825 10.530 1.00 0.00 N ATOM 1394 CA LYS A 88 7.509 -8.311 10.635 1.00 0.00 C ATOM 1395 C LYS A 88 8.851 -8.760 10.043 1.00 0.00 C ATOM 1396 O LYS A 88 9.633 -9.423 10.697 1.00 0.00 O ATOM 1397 CB LYS A 88 6.339 -8.883 9.826 1.00 0.00 C ATOM 1398 CG LYS A 88 5.192 -9.244 10.775 1.00 0.00 C ATOM 1399 CD LYS A 88 3.865 -9.204 10.013 1.00 0.00 C ATOM 1400 CE LYS A 88 2.726 -8.858 10.979 1.00 0.00 C ATOM 1401 NZ LYS A 88 1.578 -9.710 10.551 1.00 0.00 N ATOM 0 H LYS A 88 6.731 -6.498 9.810 1.00 0.00 H new ATOM 0 HA LYS A 88 7.486 -8.655 11.669 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.001 -8.154 9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.661 -9.766 9.275 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.352 -10.237 11.195 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.164 -8.545 11.611 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.915 -8.464 9.214 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.675 -10.169 9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.008 -9.067 12.011 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.472 -7.799 10.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.714 -9.399 11.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.446 -9.623 9.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.773 -10.703 10.792 1.00 0.00 H new ATOM 1415 N GLY A 89 9.121 -8.397 8.813 1.00 0.00 N ATOM 1416 CA GLY A 89 10.409 -8.791 8.178 1.00 0.00 C ATOM 1417 C GLY A 89 10.166 -9.277 6.746 1.00 0.00 C ATOM 1418 O GLY A 89 10.600 -10.349 6.369 1.00 0.00 O ATOM 0 H GLY A 89 8.500 -7.843 8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.094 -7.943 8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.884 -9.579 8.762 1.00 0.00 H new ATOM 1422 N LEU A 90 9.485 -8.498 5.941 1.00 0.00 N ATOM 1423 CA LEU A 90 9.227 -8.915 4.531 1.00 0.00 C ATOM 1424 C LEU A 90 9.849 -7.902 3.566 1.00 0.00 C ATOM 1425 O LEU A 90 10.726 -8.231 2.788 1.00 0.00 O ATOM 1426 CB LEU A 90 7.701 -8.935 4.377 1.00 0.00 C ATOM 1427 CG LEU A 90 7.180 -10.374 4.471 1.00 0.00 C ATOM 1428 CD1 LEU A 90 5.683 -10.394 4.154 1.00 0.00 C ATOM 1429 CD2 LEU A 90 7.920 -11.264 3.465 1.00 0.00 C ATOM 0 H LEU A 90 9.097 -7.591 6.202 1.00 0.00 H new ATOM 0 HA LEU A 90 9.663 -9.888 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.242 -8.322 5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.419 -8.500 3.418 1.00 0.00 H new ATOM 0 HG LEU A 90 7.350 -10.751 5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.311 -11.416 4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.151 -9.767 4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.519 -10.013 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.545 -12.285 3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.755 -10.887 2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.987 -11.253 3.686 1.00 0.00 H new ATOM 1441 N ILE A 91 9.405 -6.671 3.616 1.00 0.00 N ATOM 1442 CA ILE A 91 9.972 -5.635 2.708 1.00 0.00 C ATOM 1443 C ILE A 91 11.173 -4.972 3.387 1.00 0.00 C ATOM 1444 O ILE A 91 11.094 -3.861 3.872 1.00 0.00 O ATOM 1445 CB ILE A 91 8.837 -4.628 2.467 1.00 0.00 C ATOM 1446 CG1 ILE A 91 7.625 -5.354 1.868 1.00 0.00 C ATOM 1447 CG2 ILE A 91 9.309 -3.548 1.489 1.00 0.00 C ATOM 1448 CD1 ILE A 91 6.403 -4.435 1.909 1.00 0.00 C ATOM 0 H ILE A 91 8.675 -6.342 4.247 1.00 0.00 H new ATOM 0 HA ILE A 91 10.325 -6.049 1.764 1.00 0.00 H new ATOM 0 HB ILE A 91 8.558 -4.168 3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 91 7.837 -5.648 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.424 -6.268 2.426 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.503 -2.834 1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.171 -3.029 1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.589 -4.011 0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.544 -4.953 1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 91 6.187 -4.163 2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 91 6.606 -3.533 1.331 1.00 0.00 H new ATOM 1460 N SER A 92 12.284 -5.664 3.427 1.00 0.00 N ATOM 1461 CA SER A 92 13.510 -5.103 4.074 1.00 0.00 C ATOM 1462 C SER A 92 13.971 -3.831 3.344 1.00 0.00 C ATOM 1463 O SER A 92 13.379 -3.415 2.363 1.00 0.00 O ATOM 1464 CB SER A 92 14.558 -6.213 3.947 1.00 0.00 C ATOM 1465 OG SER A 92 15.823 -5.733 4.385 1.00 0.00 O ATOM 0 H SER A 92 12.395 -6.600 3.037 1.00 0.00 H new ATOM 0 HA SER A 92 13.338 -4.818 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.260 -7.077 4.542 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.624 -6.547 2.911 1.00 0.00 H new ATOM 0 HG SER A 92 16.490 -6.447 4.304 1.00 0.00 H new ATOM 1471 N GLN A 93 15.026 -3.218 3.816 1.00 0.00 N ATOM 1472 CA GLN A 93 15.539 -1.976 3.158 1.00 0.00 C ATOM 1473 C GLN A 93 15.971 -2.279 1.717 1.00 0.00 C ATOM 1474 O GLN A 93 15.515 -1.653 0.780 1.00 0.00 O ATOM 1475 CB GLN A 93 16.740 -1.544 4.007 1.00 0.00 C ATOM 1476 CG GLN A 93 17.148 -0.114 3.641 1.00 0.00 C ATOM 1477 CD GLN A 93 16.233 0.878 4.360 1.00 0.00 C ATOM 1478 OE1 GLN A 93 16.461 1.215 5.505 1.00 0.00 O ATOM 1479 NE2 GLN A 93 15.197 1.364 3.733 1.00 0.00 N ATOM 0 H GLN A 93 15.557 -3.524 4.631 1.00 0.00 H new ATOM 0 HA GLN A 93 14.782 -1.194 3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 93 16.487 -1.600 5.066 1.00 0.00 H new ATOM 0 HB3 GLN A 93 17.576 -2.224 3.843 1.00 0.00 H new ATOM 0 HG2 GLN A 93 18.186 0.063 3.923 1.00 0.00 H new ATOM 0 HG3 GLN A 93 17.082 0.030 2.563 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.004 1.082 2.772 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.580 2.026 4.204 1.00 0.00 H new ATOM 1488 N GLN A 94 16.840 -3.243 1.541 1.00 0.00 N ATOM 1489 CA GLN A 94 17.303 -3.599 0.163 1.00 0.00 C ATOM 1490 C GLN A 94 16.157 -4.219 -0.651 1.00 0.00 C ATOM 1491 O GLN A 94 16.110 -4.092 -1.859 1.00 0.00 O ATOM 1492 CB GLN A 94 18.447 -4.607 0.358 1.00 0.00 C ATOM 1493 CG GLN A 94 17.925 -5.881 1.034 1.00 0.00 C ATOM 1494 CD GLN A 94 19.058 -6.903 1.146 1.00 0.00 C ATOM 1495 OE1 GLN A 94 19.924 -6.777 1.989 1.00 0.00 O ATOM 1496 NE2 GLN A 94 19.088 -7.919 0.328 1.00 0.00 N ATOM 0 H GLN A 94 17.249 -3.799 2.292 1.00 0.00 H new ATOM 0 HA GLN A 94 17.636 -2.721 -0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 94 18.891 -4.855 -0.606 1.00 0.00 H new ATOM 0 HB3 GLN A 94 19.234 -4.161 0.966 1.00 0.00 H new ATOM 0 HG2 GLN A 94 17.535 -5.646 2.024 1.00 0.00 H new ATOM 0 HG3 GLN A 94 17.100 -6.299 0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 94 18.361 -8.025 -0.380 1.00 0.00 H new ATOM 0 HE22 GLN A 94 19.838 -8.607 0.396 1.00 0.00 H new ATOM 1505 N GLU A 95 15.231 -4.882 0.003 1.00 0.00 N ATOM 1506 CA GLU A 95 14.083 -5.504 -0.731 1.00 0.00 C ATOM 1507 C GLU A 95 13.233 -4.420 -1.398 1.00 0.00 C ATOM 1508 O GLU A 95 12.865 -4.536 -2.552 1.00 0.00 O ATOM 1509 CB GLU A 95 13.270 -6.234 0.342 1.00 0.00 C ATOM 1510 CG GLU A 95 12.379 -7.293 -0.314 1.00 0.00 C ATOM 1511 CD GLU A 95 13.093 -8.648 -0.308 1.00 0.00 C ATOM 1512 OE1 GLU A 95 14.074 -8.783 -1.021 1.00 0.00 O ATOM 1513 OE2 GLU A 95 12.644 -9.528 0.407 1.00 0.00 O ATOM 0 H GLU A 95 15.221 -5.019 1.014 1.00 0.00 H new ATOM 0 HA GLU A 95 14.417 -6.179 -1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.940 -6.704 1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.657 -5.522 0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 95 11.433 -7.368 0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.144 -7.000 -1.337 1.00 0.00 H new ATOM 1520 N ALA A 96 12.930 -3.362 -0.685 1.00 0.00 N ATOM 1521 CA ALA A 96 12.115 -2.265 -1.289 1.00 0.00 C ATOM 1522 C ALA A 96 12.896 -1.615 -2.434 1.00 0.00 C ATOM 1523 O ALA A 96 12.339 -1.262 -3.457 1.00 0.00 O ATOM 1524 CB ALA A 96 11.878 -1.265 -0.154 1.00 0.00 C ATOM 0 H ALA A 96 13.211 -3.212 0.284 1.00 0.00 H new ATOM 0 HA ALA A 96 11.173 -2.624 -1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 96 11.284 -0.429 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 96 11.345 -1.757 0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.836 -0.896 0.212 1.00 0.00 H new ATOM 1530 N ASN A 97 14.189 -1.468 -2.272 1.00 0.00 N ATOM 1531 CA ASN A 97 15.021 -0.855 -3.349 1.00 0.00 C ATOM 1532 C ASN A 97 15.054 -1.766 -4.578 1.00 0.00 C ATOM 1533 O ASN A 97 15.044 -1.298 -5.701 1.00 0.00 O ATOM 1534 CB ASN A 97 16.421 -0.710 -2.747 1.00 0.00 C ATOM 1535 CG ASN A 97 16.570 0.680 -2.129 1.00 0.00 C ATOM 1536 OD1 ASN A 97 16.517 0.830 -0.925 1.00 0.00 O ATOM 1537 ND2 ASN A 97 16.754 1.711 -2.906 1.00 0.00 N ATOM 0 H ASN A 97 14.703 -1.748 -1.437 1.00 0.00 H new ATOM 0 HA ASN A 97 14.622 0.105 -3.677 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.583 -1.476 -1.989 1.00 0.00 H new ATOM 0 HB3 ASN A 97 17.177 -0.860 -3.518 1.00 0.00 H new ATOM 0 HD21 ASN A 97 16.853 2.642 -2.502 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.799 1.586 -3.917 1.00 0.00 H new ATOM 1544 N GLN A 98 15.085 -3.064 -4.379 1.00 0.00 N ATOM 1545 CA GLN A 98 15.108 -3.997 -5.545 1.00 0.00 C ATOM 1546 C GLN A 98 13.788 -3.898 -6.313 1.00 0.00 C ATOM 1547 O GLN A 98 13.775 -3.877 -7.529 1.00 0.00 O ATOM 1548 CB GLN A 98 15.298 -5.401 -4.960 1.00 0.00 C ATOM 1549 CG GLN A 98 16.536 -6.051 -5.586 1.00 0.00 C ATOM 1550 CD GLN A 98 16.197 -6.557 -6.993 1.00 0.00 C ATOM 1551 OE1 GLN A 98 16.267 -5.813 -7.951 1.00 0.00 O ATOM 1552 NE2 GLN A 98 15.830 -7.798 -7.157 1.00 0.00 N ATOM 0 H GLN A 98 15.095 -3.513 -3.463 1.00 0.00 H new ATOM 0 HA GLN A 98 15.908 -3.757 -6.246 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.412 -5.343 -3.878 1.00 0.00 H new ATOM 0 HB3 GLN A 98 14.416 -6.011 -5.155 1.00 0.00 H new ATOM 0 HG2 GLN A 98 17.352 -5.330 -5.635 1.00 0.00 H new ATOM 0 HG3 GLN A 98 16.878 -6.878 -4.964 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.771 -8.423 -6.353 1.00 0.00 H new ATOM 0 HE22 GLN A 98 15.602 -8.143 -8.089 1.00 0.00 H new ATOM 1561 N TRP A 99 12.679 -3.816 -5.616 1.00 0.00 N ATOM 1562 CA TRP A 99 11.370 -3.691 -6.323 1.00 0.00 C ATOM 1563 C TRP A 99 11.303 -2.336 -7.030 1.00 0.00 C ATOM 1564 O TRP A 99 10.843 -2.234 -8.151 1.00 0.00 O ATOM 1565 CB TRP A 99 10.298 -3.780 -5.239 1.00 0.00 C ATOM 1566 CG TRP A 99 8.960 -3.944 -5.888 1.00 0.00 C ATOM 1567 CD1 TRP A 99 8.665 -4.858 -6.843 1.00 0.00 C ATOM 1568 CD2 TRP A 99 7.739 -3.186 -5.657 1.00 0.00 C ATOM 1569 NE1 TRP A 99 7.340 -4.711 -7.207 1.00 0.00 N ATOM 1570 CE2 TRP A 99 6.725 -3.696 -6.502 1.00 0.00 C ATOM 1571 CE3 TRP A 99 7.413 -2.119 -4.802 1.00 0.00 C ATOM 1572 CZ2 TRP A 99 5.436 -3.166 -6.499 1.00 0.00 C ATOM 1573 CZ3 TRP A 99 6.117 -1.584 -4.797 1.00 0.00 C ATOM 1574 CH2 TRP A 99 5.130 -2.107 -5.643 1.00 0.00 C ATOM 0 H TRP A 99 12.626 -3.830 -4.597 1.00 0.00 H new ATOM 0 HA TRP A 99 11.233 -4.467 -7.076 1.00 0.00 H new ATOM 0 HB2 TRP A 99 10.501 -4.622 -4.577 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.310 -2.881 -4.623 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.353 -5.583 -7.253 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.873 -5.283 -7.911 1.00 0.00 H new ATOM 0 HE3 TRP A 99 8.165 -1.709 -4.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 4.679 -3.572 -7.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 5.878 -0.763 -4.137 1.00 0.00 H new ATOM 0 HH2 TRP A 99 4.133 -1.691 -5.633 1.00 0.00 H new ATOM 1585 N LEU A 100 11.774 -1.295 -6.381 1.00 0.00 N ATOM 1586 CA LEU A 100 11.759 0.061 -7.016 1.00 0.00 C ATOM 1587 C LEU A 100 12.525 0.016 -8.346 1.00 0.00 C ATOM 1588 O LEU A 100 12.126 0.627 -9.320 1.00 0.00 O ATOM 1589 CB LEU A 100 12.458 0.998 -6.017 1.00 0.00 C ATOM 1590 CG LEU A 100 11.498 1.339 -4.870 1.00 0.00 C ATOM 1591 CD1 LEU A 100 12.239 2.130 -3.788 1.00 0.00 C ATOM 1592 CD2 LEU A 100 10.339 2.185 -5.406 1.00 0.00 C ATOM 0 H LEU A 100 12.167 -1.327 -5.440 1.00 0.00 H new ATOM 0 HA LEU A 100 10.747 0.403 -7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 100 13.356 0.521 -5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 100 12.777 1.910 -6.521 1.00 0.00 H new ATOM 0 HG LEU A 100 11.112 0.414 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 100 11.551 2.369 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 100 13.064 1.532 -3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 100 12.630 3.053 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.657 2.427 -4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.730 3.106 -5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 100 9.803 1.625 -6.172 1.00 0.00 H new