USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 430 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 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0562) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.667 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.38) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0868 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -143:sc= 0.206 (180deg=0) USER MOD Single : A 58 MET CE :methyl 157:sc= -0.662 (180deg=-0.953) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N GLY A 9 -11.004 -6.094 7.931 1.00 0.00 N ATOM 83 CA GLY A 9 -10.228 -5.667 9.080 1.00 0.00 C ATOM 84 C GLY A 9 -8.850 -5.165 8.696 1.00 0.00 C ATOM 85 O GLY A 9 -8.353 -4.193 9.266 1.00 0.00 O ATOM 0 HA2 GLY A 9 -10.766 -4.877 9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.127 -6.500 9.776 1.00 0.00 H new ATOM 89 N THR A 10 -8.230 -5.829 7.726 1.00 0.00 N ATOM 90 CA THR A 10 -6.900 -5.446 7.267 1.00 0.00 C ATOM 91 C THR A 10 -6.932 -4.099 6.553 1.00 0.00 C ATOM 92 O THR A 10 -6.111 -3.222 6.827 1.00 0.00 O ATOM 93 CB THR A 10 -6.307 -6.503 6.318 1.00 0.00 C ATOM 94 OG1 THR A 10 -6.296 -7.784 6.957 1.00 0.00 O ATOM 95 CG2 THR A 10 -4.893 -6.126 5.904 1.00 0.00 C ATOM 0 H THR A 10 -8.627 -6.635 7.243 1.00 0.00 H new ATOM 0 HA THR A 10 -6.270 -5.370 8.153 1.00 0.00 H new ATOM 0 HB THR A 10 -6.931 -6.548 5.425 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.919 -8.451 6.346 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.495 -6.888 5.234 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.908 -5.164 5.392 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.261 -6.056 6.789 1.00 0.00 H new ATOM 103 N ILE A 11 -7.882 -3.942 5.639 1.00 0.00 N ATOM 104 CA ILE A 11 -8.021 -2.700 4.887 1.00 0.00 C ATOM 105 C ILE A 11 -8.179 -1.506 5.823 1.00 0.00 C ATOM 106 O ILE A 11 -7.395 -0.558 5.773 1.00 0.00 O ATOM 107 CB ILE A 11 -9.227 -2.752 3.932 1.00 0.00 C ATOM 108 CG1 ILE A 11 -9.159 -4.007 3.058 1.00 0.00 C ATOM 109 CG2 ILE A 11 -9.272 -1.502 3.067 1.00 0.00 C ATOM 110 CD1 ILE A 11 -10.383 -4.888 3.171 1.00 0.00 C ATOM 0 H ILE A 11 -8.567 -4.659 5.400 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.109 -2.582 4.301 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.140 -2.793 4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.031 -3.709 2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.278 -4.586 3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.130 -1.554 2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.361 -0.622 3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.357 -1.433 2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.266 -5.758 2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.501 -5.216 4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.265 -4.326 2.866 1.00 0.00 H new ATOM 122 N ASP A 12 -9.196 -1.560 6.675 1.00 0.00 N ATOM 123 CA ASP A 12 -9.456 -0.484 7.624 1.00 0.00 C ATOM 124 C ASP A 12 -8.150 0.130 8.121 1.00 0.00 C ATOM 125 O ASP A 12 -8.043 1.347 8.266 1.00 0.00 O ATOM 126 CB ASP A 12 -10.271 -1.006 8.809 1.00 0.00 C ATOM 127 CG ASP A 12 -10.630 0.089 9.793 1.00 0.00 C ATOM 128 OD1 ASP A 12 -9.722 0.568 10.505 1.00 0.00 O ATOM 129 OD2 ASP A 12 -11.818 0.470 9.850 1.00 0.00 O ATOM 0 H ASP A 12 -9.854 -2.337 6.728 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.028 0.289 7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.184 -1.473 8.440 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.703 -1.781 9.324 1.00 0.00 H new ATOM 134 N GLN A 13 -7.163 -0.722 8.380 1.00 0.00 N ATOM 135 CA GLN A 13 -5.866 -0.262 8.861 1.00 0.00 C ATOM 136 C GLN A 13 -5.007 0.247 7.709 1.00 0.00 C ATOM 137 O GLN A 13 -4.426 1.330 7.785 1.00 0.00 O ATOM 138 CB GLN A 13 -5.142 -1.393 9.594 1.00 0.00 C ATOM 139 CG GLN A 13 -5.813 -1.804 10.894 1.00 0.00 C ATOM 140 CD GLN A 13 -4.819 -2.055 12.011 1.00 0.00 C ATOM 141 OE1 GLN A 13 -4.248 -1.120 12.572 1.00 0.00 O ATOM 142 NE2 GLN A 13 -4.606 -3.324 12.339 1.00 0.00 N ATOM 0 H GLN A 13 -7.237 -1.733 8.265 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.034 0.562 9.554 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.081 -2.260 8.936 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.119 -1.081 9.806 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.509 -1.024 11.201 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.400 -2.707 10.726 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.101 -4.068 11.847 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.947 -3.555 13.083 1.00 0.00 H new ATOM 151 N LEU A 14 -4.929 -0.542 6.642 1.00 0.00 N ATOM 152 CA LEU A 14 -4.140 -0.171 5.473 1.00 0.00 C ATOM 153 C LEU A 14 -4.454 1.255 5.033 1.00 0.00 C ATOM 154 O LEU A 14 -3.581 2.123 5.035 1.00 0.00 O ATOM 155 CB LEU A 14 -4.409 -1.143 4.323 1.00 0.00 C ATOM 156 CG LEU A 14 -3.757 -0.796 2.984 1.00 0.00 C ATOM 157 CD1 LEU A 14 -2.243 -0.756 3.124 1.00 0.00 C ATOM 158 CD2 LEU A 14 -4.170 -1.796 1.915 1.00 0.00 C ATOM 0 H LEU A 14 -5.402 -1.442 6.563 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.086 -0.223 5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.069 -2.134 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.487 -1.208 4.173 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.100 0.193 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.795 -0.508 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.965 -0.001 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.882 -1.731 3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.697 -1.533 0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.856 -2.797 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.253 -1.775 1.797 1.00 0.00 H new ATOM 170 N VAL A 15 -5.707 1.491 4.659 1.00 0.00 N ATOM 171 CA VAL A 15 -6.138 2.813 4.220 1.00 0.00 C ATOM 172 C VAL A 15 -5.586 3.902 5.133 1.00 0.00 C ATOM 173 O VAL A 15 -4.989 4.874 4.668 1.00 0.00 O ATOM 174 CB VAL A 15 -7.674 2.919 4.183 1.00 0.00 C ATOM 175 CG1 VAL A 15 -8.108 4.376 4.143 1.00 0.00 C ATOM 176 CG2 VAL A 15 -8.233 2.155 2.992 1.00 0.00 C ATOM 0 H VAL A 15 -6.442 0.784 4.651 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.747 2.955 3.212 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.073 2.471 5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.196 4.431 4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.740 4.890 5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.699 4.853 3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.320 2.241 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.828 2.571 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.953 1.104 3.070 1.00 0.00 H new ATOM 186 N LYS A 16 -5.789 3.734 6.435 1.00 0.00 N ATOM 187 CA LYS A 16 -5.310 4.701 7.416 1.00 0.00 C ATOM 188 C LYS A 16 -3.842 5.038 7.176 1.00 0.00 C ATOM 189 O LYS A 16 -3.422 6.181 7.350 1.00 0.00 O ATOM 190 CB LYS A 16 -5.493 4.154 8.834 1.00 0.00 C ATOM 191 CG LYS A 16 -4.194 3.731 9.495 1.00 0.00 C ATOM 192 CD LYS A 16 -4.446 2.958 10.778 1.00 0.00 C ATOM 193 CE LYS A 16 -3.147 2.629 11.496 1.00 0.00 C ATOM 194 NZ LYS A 16 -2.528 3.838 12.107 1.00 0.00 N ATOM 0 H LYS A 16 -6.283 2.936 6.836 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.897 5.613 7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.973 4.916 9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.169 3.299 8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.618 3.114 8.805 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.592 4.613 9.713 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.088 3.543 11.436 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.980 2.036 10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.339 1.888 12.272 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.447 2.179 10.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.721 3.554 12.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.198 4.477 11.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.232 4.329 12.694 1.00 0.00 H new ATOM 208 N ARG A 17 -3.068 4.036 6.773 1.00 0.00 N ATOM 209 CA ARG A 17 -1.646 4.227 6.508 1.00 0.00 C ATOM 210 C ARG A 17 -1.436 5.166 5.325 1.00 0.00 C ATOM 211 O ARG A 17 -0.929 6.278 5.483 1.00 0.00 O ATOM 212 CB ARG A 17 -0.973 2.882 6.232 1.00 0.00 C ATOM 213 CG ARG A 17 -1.221 1.842 7.312 1.00 0.00 C ATOM 214 CD ARG A 17 -0.190 0.726 7.259 1.00 0.00 C ATOM 215 NE ARG A 17 -0.079 0.023 8.534 1.00 0.00 N ATOM 216 CZ ARG A 17 -0.972 -0.862 8.964 1.00 0.00 C ATOM 217 NH1 ARG A 17 -2.035 -1.149 8.227 1.00 0.00 N ATOM 218 NH2 ARG A 17 -0.802 -1.461 10.136 1.00 0.00 N ATOM 0 H ARG A 17 -3.401 3.084 6.623 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.193 4.677 7.392 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.332 2.495 5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.101 3.037 6.129 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.192 2.319 8.292 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.220 1.422 7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.463 0.017 6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.781 1.142 6.988 1.00 0.00 H new ATOM 0 HE ARG A 17 0.727 0.222 9.126 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.170 -0.690 7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.718 -1.829 8.560 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.014 -1.242 10.707 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.488 -2.140 10.466 1.00 0.00 H new ATOM 232 N VAL A 18 -1.827 4.713 4.138 1.00 0.00 N ATOM 233 CA VAL A 18 -1.682 5.513 2.928 1.00 0.00 C ATOM 234 C VAL A 18 -2.160 6.943 3.153 1.00 0.00 C ATOM 235 O VAL A 18 -1.787 7.856 2.417 1.00 0.00 O ATOM 236 CB VAL A 18 -2.466 4.900 1.753 1.00 0.00 C ATOM 237 CG1 VAL A 18 -1.945 3.508 1.431 1.00 0.00 C ATOM 238 CG2 VAL A 18 -3.953 4.863 2.067 1.00 0.00 C ATOM 0 H VAL A 18 -2.247 3.795 3.989 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.620 5.523 2.681 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.319 5.528 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.511 3.091 0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.891 3.568 1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.059 2.866 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.492 4.427 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.122 4.259 2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.313 5.877 2.242 1.00 0.00 H new ATOM 248 N ILE A 19 -2.988 7.129 4.175 1.00 0.00 N ATOM 249 CA ILE A 19 -3.517 8.448 4.499 1.00 0.00 C ATOM 250 C ILE A 19 -2.531 9.243 5.348 1.00 0.00 C ATOM 251 O ILE A 19 -2.157 10.361 4.998 1.00 0.00 O ATOM 252 CB ILE A 19 -4.859 8.349 5.249 1.00 0.00 C ATOM 253 CG1 ILE A 19 -5.898 7.631 4.386 1.00 0.00 C ATOM 254 CG2 ILE A 19 -5.352 9.735 5.638 1.00 0.00 C ATOM 255 CD1 ILE A 19 -6.662 8.556 3.465 1.00 0.00 C ATOM 0 H ILE A 19 -3.307 6.383 4.793 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.677 8.964 3.552 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.708 7.770 6.160 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.398 6.869 3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.604 7.114 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.301 9.648 6.167 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.618 10.214 6.286 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.491 10.337 4.740 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.381 7.978 2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.191 9.303 4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.966 9.054 2.790 1.00 0.00 H new ATOM 267 N GLU A 20 -2.113 8.656 6.465 1.00 0.00 N ATOM 268 CA GLU A 20 -1.168 9.310 7.362 1.00 0.00 C ATOM 269 C GLU A 20 0.255 9.211 6.821 1.00 0.00 C ATOM 270 O GLU A 20 1.178 9.825 7.355 1.00 0.00 O ATOM 271 CB GLU A 20 -1.239 8.684 8.758 1.00 0.00 C ATOM 272 CG GLU A 20 -2.630 8.203 9.138 1.00 0.00 C ATOM 273 CD GLU A 20 -3.115 8.797 10.446 1.00 0.00 C ATOM 274 OE1 GLU A 20 -2.673 8.326 11.513 1.00 0.00 O ATOM 275 OE2 GLU A 20 -3.938 9.737 10.399 1.00 0.00 O ATOM 0 H GLU A 20 -2.413 7.730 6.770 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.440 10.363 7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.547 7.843 8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.903 9.416 9.493 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.330 8.463 8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.626 7.116 9.216 1.00 0.00 H new ATOM 282 N GLY A 21 0.425 8.432 5.758 1.00 0.00 N ATOM 283 CA GLY A 21 1.738 8.265 5.162 1.00 0.00 C ATOM 284 C GLY A 21 2.643 7.378 5.992 1.00 0.00 C ATOM 285 O GLY A 21 3.762 7.066 5.584 1.00 0.00 O ATOM 0 H GLY A 21 -0.323 7.913 5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.629 7.837 4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.205 9.242 5.040 1.00 0.00 H new ATOM 289 N SER A 22 2.159 6.969 7.161 1.00 0.00 N ATOM 290 CA SER A 22 2.934 6.116 8.053 1.00 0.00 C ATOM 291 C SER A 22 3.689 5.049 7.265 1.00 0.00 C ATOM 292 O SER A 22 4.715 4.538 7.714 1.00 0.00 O ATOM 293 CB SER A 22 2.018 5.453 9.083 1.00 0.00 C ATOM 294 OG SER A 22 2.747 4.578 9.926 1.00 0.00 O ATOM 0 H SER A 22 1.233 7.215 7.512 1.00 0.00 H new ATOM 0 HA SER A 22 3.660 6.741 8.573 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.528 6.219 9.685 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.232 4.898 8.571 1.00 0.00 H new ATOM 0 HG SER A 22 2.139 4.168 10.576 1.00 0.00 H new ATOM 300 N LEU A 23 3.173 4.718 6.086 1.00 0.00 N ATOM 301 CA LEU A 23 3.796 3.711 5.234 1.00 0.00 C ATOM 302 C LEU A 23 4.488 4.362 4.041 1.00 0.00 C ATOM 303 O LEU A 23 3.958 5.291 3.434 1.00 0.00 O ATOM 304 CB LEU A 23 2.748 2.709 4.745 1.00 0.00 C ATOM 305 CG LEU A 23 2.159 2.976 3.360 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.553 1.704 2.784 1.00 0.00 C ATOM 307 CD2 LEU A 23 1.117 4.082 3.428 1.00 0.00 C ATOM 0 H LEU A 23 2.325 5.132 5.699 1.00 0.00 H new ATOM 0 HA LEU A 23 4.546 3.184 5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.198 1.716 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.932 2.686 5.467 1.00 0.00 H new ATOM 0 HG LEU A 23 2.963 3.302 2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.138 1.913 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.325 0.939 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.761 1.348 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.708 4.259 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.314 3.784 4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.581 4.997 3.797 1.00 0.00 H new ATOM 319 N SER A 24 5.676 3.864 3.710 1.00 0.00 N ATOM 320 CA SER A 24 6.443 4.398 2.591 1.00 0.00 C ATOM 321 C SER A 24 5.638 4.325 1.297 1.00 0.00 C ATOM 322 O SER A 24 4.642 3.607 1.194 1.00 0.00 O ATOM 323 CB SER A 24 7.757 3.630 2.432 1.00 0.00 C ATOM 324 OG SER A 24 8.872 4.476 2.651 1.00 0.00 O ATOM 0 H SER A 24 6.127 3.092 4.201 1.00 0.00 H new ATOM 0 HA SER A 24 6.666 5.444 2.802 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.783 2.799 3.137 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.813 3.202 1.431 1.00 0.00 H new ATOM 0 HG SER A 24 9.699 3.961 2.545 1.00 0.00 H new ATOM 330 N PRO A 25 6.079 5.084 0.283 1.00 0.00 N ATOM 331 CA PRO A 25 5.416 5.122 -1.024 1.00 0.00 C ATOM 332 C PRO A 25 5.583 3.820 -1.798 1.00 0.00 C ATOM 333 O PRO A 25 4.739 3.459 -2.619 1.00 0.00 O ATOM 334 CB PRO A 25 6.125 6.270 -1.748 1.00 0.00 C ATOM 335 CG PRO A 25 7.465 6.353 -1.104 1.00 0.00 C ATOM 336 CD PRO A 25 7.259 5.963 0.333 1.00 0.00 C ATOM 0 HA PRO A 25 4.339 5.259 -0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.211 6.071 -2.816 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.575 7.205 -1.641 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.174 5.685 -1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.873 7.361 -1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.129 5.445 0.737 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.085 6.834 0.965 1.00 0.00 H new ATOM 344 N LYS A 26 6.678 3.115 -1.532 1.00 0.00 N ATOM 345 CA LYS A 26 6.956 1.851 -2.201 1.00 0.00 C ATOM 346 C LYS A 26 6.114 0.725 -1.610 1.00 0.00 C ATOM 347 O LYS A 26 5.615 -0.135 -2.336 1.00 0.00 O ATOM 348 CB LYS A 26 8.442 1.505 -2.085 1.00 0.00 C ATOM 349 CG LYS A 26 8.886 0.401 -3.030 1.00 0.00 C ATOM 350 CD LYS A 26 9.187 0.942 -4.417 1.00 0.00 C ATOM 351 CE LYS A 26 10.082 -0.005 -5.202 1.00 0.00 C ATOM 352 NZ LYS A 26 10.939 0.723 -6.179 1.00 0.00 N ATOM 0 H LYS A 26 7.388 3.399 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 26 6.696 1.961 -3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.031 2.400 -2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.657 1.203 -1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.774 -0.088 -2.629 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.107 -0.358 -3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.254 1.096 -4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.671 1.915 -4.332 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.713 -0.564 -4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.466 -0.732 -5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.534 0.043 -6.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.337 1.236 -6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.546 1.399 -5.672 1.00 0.00 H new ATOM 366 N GLU A 27 5.960 0.738 -0.291 1.00 0.00 N ATOM 367 CA GLU A 27 5.177 -0.283 0.397 1.00 0.00 C ATOM 368 C GLU A 27 3.810 -0.454 -0.260 1.00 0.00 C ATOM 369 O GLU A 27 3.334 -1.574 -0.444 1.00 0.00 O ATOM 370 CB GLU A 27 5.004 0.082 1.872 1.00 0.00 C ATOM 371 CG GLU A 27 5.859 -0.753 2.810 1.00 0.00 C ATOM 372 CD GLU A 27 5.145 -2.000 3.295 1.00 0.00 C ATOM 373 OE1 GLU A 27 4.529 -2.694 2.461 1.00 0.00 O ATOM 374 OE2 GLU A 27 5.202 -2.280 4.511 1.00 0.00 O ATOM 0 H GLU A 27 6.366 1.443 0.323 1.00 0.00 H new ATOM 0 HA GLU A 27 5.717 -1.227 0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.252 1.135 2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.956 -0.037 2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.778 -1.040 2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.148 -0.147 3.669 1.00 0.00 H new ATOM 381 N ARG A 28 3.185 0.665 -0.610 1.00 0.00 N ATOM 382 CA ARG A 28 1.872 0.640 -1.245 1.00 0.00 C ATOM 383 C ARG A 28 1.872 -0.286 -2.457 1.00 0.00 C ATOM 384 O ARG A 28 1.095 -1.240 -2.524 1.00 0.00 O ATOM 385 CB ARG A 28 1.460 2.051 -1.669 1.00 0.00 C ATOM 386 CG ARG A 28 1.086 2.952 -0.502 1.00 0.00 C ATOM 387 CD ARG A 28 0.528 4.282 -0.983 1.00 0.00 C ATOM 388 NE ARG A 28 -0.527 4.106 -1.977 1.00 0.00 N ATOM 389 CZ ARG A 28 -1.025 5.100 -2.704 1.00 0.00 C ATOM 390 NH1 ARG A 28 -0.564 6.334 -2.551 1.00 0.00 N ATOM 391 NH2 ARG A 28 -1.985 4.861 -3.589 1.00 0.00 N ATOM 0 H ARG A 28 3.566 1.600 -0.465 1.00 0.00 H new ATOM 0 HA ARG A 28 1.153 0.261 -0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.280 2.509 -2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.613 1.984 -2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.347 2.451 0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.964 3.128 0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.135 4.839 -0.132 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.333 4.879 -1.411 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.902 3.168 -2.121 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.175 6.522 -1.874 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.948 7.095 -3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.341 3.913 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.366 5.625 -4.147 1.00 0.00 H new ATOM 405 N THR A 29 2.747 0.000 -3.416 1.00 0.00 N ATOM 406 CA THR A 29 2.847 -0.805 -4.626 1.00 0.00 C ATOM 407 C THR A 29 3.067 -2.276 -4.291 1.00 0.00 C ATOM 408 O THR A 29 2.555 -3.162 -4.976 1.00 0.00 O ATOM 409 CB THR A 29 3.996 -0.320 -5.530 1.00 0.00 C ATOM 410 OG1 THR A 29 3.616 0.888 -6.199 1.00 0.00 O ATOM 411 CG2 THR A 29 4.361 -1.382 -6.558 1.00 0.00 C ATOM 0 H THR A 29 3.397 0.785 -3.377 1.00 0.00 H new ATOM 0 HA THR A 29 1.903 -0.693 -5.159 1.00 0.00 H new ATOM 0 HB THR A 29 4.867 -0.129 -4.903 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.352 1.191 -6.770 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.175 -1.017 -7.185 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.677 -2.291 -6.046 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.493 -1.600 -7.180 1.00 0.00 H new ATOM 419 N LEU A 30 3.827 -2.530 -3.232 1.00 0.00 N ATOM 420 CA LEU A 30 4.113 -3.895 -2.805 1.00 0.00 C ATOM 421 C LEU A 30 2.844 -4.592 -2.324 1.00 0.00 C ATOM 422 O LEU A 30 2.681 -5.800 -2.500 1.00 0.00 O ATOM 423 CB LEU A 30 5.161 -3.893 -1.691 1.00 0.00 C ATOM 424 CG LEU A 30 6.492 -3.220 -2.024 1.00 0.00 C ATOM 425 CD1 LEU A 30 7.330 -3.042 -0.767 1.00 0.00 C ATOM 426 CD2 LEU A 30 7.254 -4.028 -3.064 1.00 0.00 C ATOM 0 H LEU A 30 4.257 -1.808 -2.653 1.00 0.00 H new ATOM 0 HA LEU A 30 4.504 -4.443 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.734 -3.398 -0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.360 -4.926 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 30 6.284 -2.234 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.274 -2.561 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.789 -2.420 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.529 -4.017 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.199 -3.533 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.451 -5.027 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.659 -4.103 -3.974 1.00 0.00 H new ATOM 438 N LEU A 31 1.947 -3.823 -1.716 1.00 0.00 N ATOM 439 CA LEU A 31 0.691 -4.365 -1.211 1.00 0.00 C ATOM 440 C LEU A 31 0.069 -5.327 -2.219 1.00 0.00 C ATOM 441 O LEU A 31 -0.340 -6.434 -1.866 1.00 0.00 O ATOM 442 CB LEU A 31 -0.288 -3.232 -0.899 1.00 0.00 C ATOM 443 CG LEU A 31 0.169 -2.221 0.154 1.00 0.00 C ATOM 444 CD1 LEU A 31 -0.788 -1.041 0.211 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.279 -2.887 1.518 1.00 0.00 C ATOM 0 H LEU A 31 2.067 -2.822 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 31 0.904 -4.915 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.497 -2.694 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.228 -3.672 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 31 1.154 -1.850 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.447 -0.332 0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.818 -0.550 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.786 -1.394 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.605 -2.154 2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.693 -3.285 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.004 -3.699 1.469 1.00 0.00 H new ATOM 457 N LYS A 32 0.002 -4.899 -3.474 1.00 0.00 N ATOM 458 CA LYS A 32 -0.566 -5.722 -4.535 1.00 0.00 C ATOM 459 C LYS A 32 0.171 -7.053 -4.645 1.00 0.00 C ATOM 460 O LYS A 32 -0.441 -8.093 -4.885 1.00 0.00 O ATOM 461 CB LYS A 32 -0.504 -4.981 -5.873 1.00 0.00 C ATOM 462 CG LYS A 32 -0.927 -3.525 -5.781 1.00 0.00 C ATOM 463 CD LYS A 32 -1.827 -3.131 -6.940 1.00 0.00 C ATOM 464 CE LYS A 32 -2.290 -1.687 -6.821 1.00 0.00 C ATOM 465 NZ LYS A 32 -1.889 -0.878 -8.005 1.00 0.00 N ATOM 0 H LYS A 32 0.335 -3.985 -3.782 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.608 -5.923 -4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.514 -5.031 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.144 -5.492 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.450 -3.356 -4.840 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.042 -2.888 -5.773 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.292 -3.266 -7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.694 -3.791 -6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.374 -1.661 -6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.869 -1.244 -5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.223 0.100 -7.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.853 -0.882 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.311 -1.286 -8.863 1.00 0.00 H new ATOM 479 N GLU A 33 1.488 -7.011 -4.467 1.00 0.00 N ATOM 480 CA GLU A 33 2.307 -8.215 -4.546 1.00 0.00 C ATOM 481 C GLU A 33 1.961 -9.184 -3.418 1.00 0.00 C ATOM 482 O GLU A 33 2.246 -10.378 -3.503 1.00 0.00 O ATOM 483 CB GLU A 33 3.792 -7.853 -4.484 1.00 0.00 C ATOM 484 CG GLU A 33 4.238 -6.920 -5.598 1.00 0.00 C ATOM 485 CD GLU A 33 5.716 -7.050 -5.911 1.00 0.00 C ATOM 486 OE1 GLU A 33 6.072 -7.900 -6.753 1.00 0.00 O ATOM 487 OE2 GLU A 33 6.516 -6.301 -5.313 1.00 0.00 O ATOM 0 H GLU A 33 2.010 -6.158 -4.267 1.00 0.00 H new ATOM 0 HA GLU A 33 2.099 -8.703 -5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.003 -7.385 -3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.383 -8.768 -4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.660 -7.132 -6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.020 -5.891 -5.314 1.00 0.00 H new ATOM 494 N ASP A 34 1.347 -8.659 -2.363 1.00 0.00 N ATOM 495 CA ASP A 34 0.961 -9.475 -1.218 1.00 0.00 C ATOM 496 C ASP A 34 -0.432 -10.067 -1.417 1.00 0.00 C ATOM 497 O ASP A 34 -1.317 -9.448 -2.008 1.00 0.00 O ATOM 498 CB ASP A 34 0.998 -8.643 0.064 1.00 0.00 C ATOM 499 CG ASP A 34 1.656 -9.380 1.214 1.00 0.00 C ATOM 500 OD1 ASP A 34 2.890 -9.565 1.170 1.00 0.00 O ATOM 501 OD2 ASP A 34 0.937 -9.773 2.157 1.00 0.00 O ATOM 0 H ASP A 34 1.106 -7.672 -2.277 1.00 0.00 H new ATOM 0 HA ASP A 34 1.674 -10.294 -1.130 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.537 -7.714 -0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.019 -8.370 0.346 1.00 0.00 H new ATOM 506 N PRO A 35 -0.632 -11.294 -0.913 1.00 0.00 N ATOM 507 CA PRO A 35 -1.913 -11.995 -1.023 1.00 0.00 C ATOM 508 C PRO A 35 -2.999 -11.358 -0.162 1.00 0.00 C ATOM 509 O PRO A 35 -4.177 -11.380 -0.515 1.00 0.00 O ATOM 510 CB PRO A 35 -1.591 -13.404 -0.520 1.00 0.00 C ATOM 511 CG PRO A 35 -0.418 -13.226 0.381 1.00 0.00 C ATOM 512 CD PRO A 35 0.379 -12.090 -0.196 1.00 0.00 C ATOM 0 HA PRO A 35 -2.305 -11.969 -2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.437 -13.837 0.013 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.357 -14.075 -1.346 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.738 -13.001 1.398 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.179 -14.137 0.429 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.871 -11.507 0.583 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.160 -12.447 -0.868 1.00 0.00 H new ATOM 520 N ALA A 36 -2.593 -10.790 0.970 1.00 0.00 N ATOM 521 CA ALA A 36 -3.531 -10.145 1.880 1.00 0.00 C ATOM 522 C ALA A 36 -4.269 -9.004 1.189 1.00 0.00 C ATOM 523 O ALA A 36 -5.398 -8.672 1.551 1.00 0.00 O ATOM 524 CB ALA A 36 -2.801 -9.634 3.113 1.00 0.00 C ATOM 0 H ALA A 36 -1.621 -10.764 1.278 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.269 -10.886 2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.513 -9.154 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.324 -10.469 3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.042 -8.912 2.813 1.00 0.00 H new ATOM 530 N TYR A 37 -3.625 -8.405 0.193 1.00 0.00 N ATOM 531 CA TYR A 37 -4.219 -7.299 -0.547 1.00 0.00 C ATOM 532 C TYR A 37 -4.521 -7.705 -1.986 1.00 0.00 C ATOM 533 O TYR A 37 -4.120 -7.025 -2.931 1.00 0.00 O ATOM 534 CB TYR A 37 -3.285 -6.088 -0.532 1.00 0.00 C ATOM 535 CG TYR A 37 -2.760 -5.746 0.844 1.00 0.00 C ATOM 536 CD1 TYR A 37 -3.590 -5.192 1.809 1.00 0.00 C ATOM 537 CD2 TYR A 37 -1.430 -5.976 1.178 1.00 0.00 C ATOM 538 CE1 TYR A 37 -3.115 -4.878 3.068 1.00 0.00 C ATOM 539 CE2 TYR A 37 -0.945 -5.666 2.434 1.00 0.00 C ATOM 540 CZ TYR A 37 -1.791 -5.117 3.375 1.00 0.00 C ATOM 541 OH TYR A 37 -1.313 -4.805 4.626 1.00 0.00 O ATOM 0 H TYR A 37 -2.691 -8.668 -0.120 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.157 -7.032 -0.060 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.442 -6.281 -1.196 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.816 -5.225 -0.934 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.626 -5.003 1.571 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.765 -6.404 0.443 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.775 -4.448 3.807 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.091 -5.852 2.678 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.362 -5.036 4.680 1.00 0.00 H new ATOM 551 N TRP A 38 -5.228 -8.818 -2.144 1.00 0.00 N ATOM 552 CA TRP A 38 -5.585 -9.316 -3.468 1.00 0.00 C ATOM 553 C TRP A 38 -6.753 -8.526 -4.050 1.00 0.00 C ATOM 554 O TRP A 38 -6.817 -8.295 -5.258 1.00 0.00 O ATOM 555 CB TRP A 38 -5.942 -10.801 -3.398 1.00 0.00 C ATOM 556 CG TRP A 38 -7.159 -11.081 -2.568 1.00 0.00 C ATOM 557 CD1 TRP A 38 -7.188 -11.613 -1.310 1.00 0.00 C ATOM 558 CD2 TRP A 38 -8.521 -10.844 -2.937 1.00 0.00 C ATOM 559 NE1 TRP A 38 -8.487 -11.722 -0.876 1.00 0.00 N ATOM 560 CE2 TRP A 38 -9.323 -11.257 -1.856 1.00 0.00 C ATOM 561 CE3 TRP A 38 -9.141 -10.323 -4.077 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -10.713 -11.164 -1.883 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -10.520 -10.232 -4.101 1.00 0.00 C ATOM 564 CH2 TRP A 38 -11.293 -10.650 -3.009 1.00 0.00 C ATOM 0 H TRP A 38 -5.566 -9.393 -1.372 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.722 -9.188 -4.122 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.106 -11.176 -4.408 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.096 -11.352 -2.987 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.318 -11.905 -0.741 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.781 -12.089 0.029 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.553 -9.998 -4.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.311 -11.487 -1.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -11.010 -9.832 -4.976 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.368 -10.564 -3.058 1.00 0.00 H new ATOM 575 N PHE A 39 -7.673 -8.115 -3.185 1.00 0.00 N ATOM 576 CA PHE A 39 -8.839 -7.352 -3.615 1.00 0.00 C ATOM 577 C PHE A 39 -8.419 -6.103 -4.382 1.00 0.00 C ATOM 578 O PHE A 39 -9.150 -5.616 -5.246 1.00 0.00 O ATOM 579 CB PHE A 39 -9.691 -6.958 -2.406 1.00 0.00 C ATOM 580 CG PHE A 39 -8.917 -6.247 -1.333 1.00 0.00 C ATOM 581 CD1 PHE A 39 -8.723 -4.876 -1.393 1.00 0.00 C ATOM 582 CD2 PHE A 39 -8.385 -6.950 -0.263 1.00 0.00 C ATOM 583 CE1 PHE A 39 -8.010 -4.220 -0.408 1.00 0.00 C ATOM 584 CE2 PHE A 39 -7.672 -6.298 0.726 1.00 0.00 C ATOM 585 CZ PHE A 39 -7.485 -4.931 0.654 1.00 0.00 C ATOM 0 H PHE A 39 -7.634 -8.297 -2.182 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.430 -7.983 -4.278 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.507 -6.317 -2.740 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.143 -7.855 -1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.134 -4.314 -2.219 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.529 -8.019 -0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.863 -3.152 -0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.262 -6.857 1.554 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.930 -4.419 1.426 1.00 0.00 H new ATOM 595 N LEU A 40 -7.237 -5.587 -4.062 1.00 0.00 N ATOM 596 CA LEU A 40 -6.717 -4.395 -4.721 1.00 0.00 C ATOM 597 C LEU A 40 -6.980 -4.444 -6.223 1.00 0.00 C ATOM 598 O LEU A 40 -7.502 -3.493 -6.804 1.00 0.00 O ATOM 599 CB LEU A 40 -5.217 -4.255 -4.457 1.00 0.00 C ATOM 600 CG LEU A 40 -4.823 -3.784 -3.057 1.00 0.00 C ATOM 601 CD1 LEU A 40 -3.309 -3.743 -2.915 1.00 0.00 C ATOM 602 CD2 LEU A 40 -5.426 -2.417 -2.764 1.00 0.00 C ATOM 0 H LEU A 40 -6.620 -5.977 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.234 -3.528 -4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.745 -5.220 -4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.804 -3.555 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.217 -4.495 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.047 -3.406 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.901 -4.740 -3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.893 -3.054 -3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.135 -2.098 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.063 -1.695 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.513 -2.478 -2.824 1.00 0.00 H new ATOM 614 N SER A 41 -6.614 -5.561 -6.845 1.00 0.00 N ATOM 615 CA SER A 41 -6.808 -5.734 -8.280 1.00 0.00 C ATOM 616 C SER A 41 -8.293 -5.800 -8.624 1.00 0.00 C ATOM 617 O SER A 41 -8.727 -5.284 -9.654 1.00 0.00 O ATOM 618 CB SER A 41 -6.104 -7.004 -8.761 1.00 0.00 C ATOM 619 OG SER A 41 -4.739 -7.006 -8.381 1.00 0.00 O ATOM 0 H SER A 41 -6.182 -6.358 -6.378 1.00 0.00 H new ATOM 0 HA SER A 41 -6.374 -4.872 -8.787 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.602 -7.879 -8.344 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.183 -7.079 -9.846 1.00 0.00 H new ATOM 0 HG SER A 41 -4.312 -7.829 -8.699 1.00 0.00 H new ATOM 625 N ASP A 42 -9.067 -6.439 -7.753 1.00 0.00 N ATOM 626 CA ASP A 42 -10.503 -6.573 -7.962 1.00 0.00 C ATOM 627 C ASP A 42 -11.227 -5.277 -7.610 1.00 0.00 C ATOM 628 O ASP A 42 -10.766 -4.507 -6.771 1.00 0.00 O ATOM 629 CB ASP A 42 -11.058 -7.725 -7.122 1.00 0.00 C ATOM 630 CG ASP A 42 -12.232 -8.415 -7.788 1.00 0.00 C ATOM 631 OD1 ASP A 42 -13.200 -7.717 -8.156 1.00 0.00 O ATOM 632 OD2 ASP A 42 -12.183 -9.654 -7.942 1.00 0.00 O ATOM 0 H ASP A 42 -8.723 -6.872 -6.896 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.672 -6.788 -9.017 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.267 -8.453 -6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.369 -7.344 -6.149 1.00 0.00 H new ATOM 637 N GLU A 43 -12.364 -5.045 -8.260 1.00 0.00 N ATOM 638 CA GLU A 43 -13.149 -3.841 -8.016 1.00 0.00 C ATOM 639 C GLU A 43 -14.570 -4.196 -7.586 1.00 0.00 C ATOM 640 O GLU A 43 -15.147 -3.545 -6.716 1.00 0.00 O ATOM 641 CB GLU A 43 -13.189 -2.968 -9.273 1.00 0.00 C ATOM 642 CG GLU A 43 -11.939 -2.126 -9.468 1.00 0.00 C ATOM 643 CD GLU A 43 -12.222 -0.820 -10.184 1.00 0.00 C ATOM 644 OE1 GLU A 43 -13.166 -0.112 -9.777 1.00 0.00 O ATOM 645 OE2 GLU A 43 -11.499 -0.507 -11.154 1.00 0.00 O ATOM 0 H GLU A 43 -12.761 -5.674 -8.958 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.672 -3.284 -7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.326 -3.607 -10.145 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.056 -2.310 -9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.493 -1.914 -8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.206 -2.697 -10.038 1.00 0.00 H new ATOM 652 N ASN A 44 -15.127 -5.233 -8.203 1.00 0.00 N ATOM 653 CA ASN A 44 -16.480 -5.674 -7.884 1.00 0.00 C ATOM 654 C ASN A 44 -16.488 -6.546 -6.632 1.00 0.00 C ATOM 655 O ASN A 44 -17.169 -7.569 -6.580 1.00 0.00 O ATOM 656 CB ASN A 44 -17.076 -6.449 -9.062 1.00 0.00 C ATOM 657 CG ASN A 44 -17.892 -5.563 -9.983 1.00 0.00 C ATOM 658 OD1 ASN A 44 -17.634 -4.365 -10.099 1.00 0.00 O ATOM 659 ND2 ASN A 44 -18.882 -6.151 -10.644 1.00 0.00 N ATOM 0 H ASN A 44 -14.663 -5.783 -8.926 1.00 0.00 H new ATOM 0 HA ASN A 44 -17.088 -4.790 -7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -16.272 -6.916 -9.630 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -17.707 -7.253 -8.683 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -19.465 -5.606 -11.279 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -19.059 -7.147 -10.517 1.00 0.00 H new ATOM 666 N SER A 45 -15.726 -6.131 -5.626 1.00 0.00 N ATOM 667 CA SER A 45 -15.642 -6.875 -4.374 1.00 0.00 C ATOM 668 C SER A 45 -15.925 -5.966 -3.182 1.00 0.00 C ATOM 669 O SER A 45 -16.194 -4.775 -3.344 1.00 0.00 O ATOM 670 CB SER A 45 -14.259 -7.512 -4.226 1.00 0.00 C ATOM 671 OG SER A 45 -13.235 -6.537 -4.325 1.00 0.00 O ATOM 0 H SER A 45 -15.158 -5.284 -5.653 1.00 0.00 H new ATOM 0 HA SER A 45 -16.396 -7.662 -4.397 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.190 -8.020 -3.264 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.120 -8.270 -4.997 1.00 0.00 H new ATOM 0 HG SER A 45 -12.361 -6.969 -4.225 1.00 0.00 H new ATOM 677 N LEU A 46 -15.864 -6.537 -1.984 1.00 0.00 N ATOM 678 CA LEU A 46 -16.114 -5.779 -0.762 1.00 0.00 C ATOM 679 C LEU A 46 -14.809 -5.251 -0.172 1.00 0.00 C ATOM 680 O LEU A 46 -14.718 -4.085 0.211 1.00 0.00 O ATOM 681 CB LEU A 46 -16.834 -6.653 0.265 1.00 0.00 C ATOM 682 CG LEU A 46 -16.589 -6.305 1.734 1.00 0.00 C ATOM 683 CD1 LEU A 46 -15.296 -6.939 2.224 1.00 0.00 C ATOM 684 CD2 LEU A 46 -16.550 -4.795 1.924 1.00 0.00 C ATOM 0 H LEU A 46 -15.644 -7.521 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.748 -4.929 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -17.905 -6.596 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.536 -7.689 0.103 1.00 0.00 H new ATOM 0 HG LEU A 46 -17.413 -6.705 2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -15.138 -6.681 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -15.361 -8.022 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.461 -6.569 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.375 -4.565 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.746 -4.373 1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.501 -4.364 1.612 1.00 0.00 H new ATOM 696 N GLU A 47 -13.803 -6.117 -0.104 1.00 0.00 N ATOM 697 CA GLU A 47 -12.504 -5.737 0.437 1.00 0.00 C ATOM 698 C GLU A 47 -11.926 -4.546 -0.321 1.00 0.00 C ATOM 699 O GLU A 47 -11.150 -3.763 0.230 1.00 0.00 O ATOM 700 CB GLU A 47 -11.533 -6.918 0.370 1.00 0.00 C ATOM 701 CG GLU A 47 -11.887 -8.051 1.320 1.00 0.00 C ATOM 702 CD GLU A 47 -10.684 -8.568 2.085 1.00 0.00 C ATOM 703 OE1 GLU A 47 -9.799 -7.754 2.421 1.00 0.00 O ATOM 704 OE2 GLU A 47 -10.628 -9.787 2.347 1.00 0.00 O ATOM 0 H GLU A 47 -13.863 -7.086 -0.417 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.644 -5.449 1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.512 -7.303 -0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.527 -6.564 0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.641 -7.705 2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.332 -8.869 0.754 1.00 0.00 H new ATOM 711 N TYR A 48 -12.308 -4.415 -1.586 1.00 0.00 N ATOM 712 CA TYR A 48 -11.826 -3.321 -2.421 1.00 0.00 C ATOM 713 C TYR A 48 -12.676 -2.071 -2.224 1.00 0.00 C ATOM 714 O TYR A 48 -12.204 -0.948 -2.407 1.00 0.00 O ATOM 715 CB TYR A 48 -11.838 -3.733 -3.894 1.00 0.00 C ATOM 716 CG TYR A 48 -11.473 -2.611 -4.840 1.00 0.00 C ATOM 717 CD1 TYR A 48 -12.426 -1.692 -5.260 1.00 0.00 C ATOM 718 CD2 TYR A 48 -10.173 -2.471 -5.312 1.00 0.00 C ATOM 719 CE1 TYR A 48 -12.095 -0.666 -6.124 1.00 0.00 C ATOM 720 CE2 TYR A 48 -9.834 -1.448 -6.175 1.00 0.00 C ATOM 721 CZ TYR A 48 -10.798 -0.549 -6.578 1.00 0.00 C ATOM 722 OH TYR A 48 -10.465 0.474 -7.439 1.00 0.00 O ATOM 0 H TYR A 48 -12.950 -5.053 -2.056 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.803 -3.093 -2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.141 -4.559 -4.037 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.830 -4.105 -4.150 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.442 -1.781 -4.905 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.416 -3.174 -4.998 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.848 0.040 -6.442 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.819 -1.353 -6.532 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.513 0.416 -7.663 1.00 0.00 H new ATOM 732 N LYS A 49 -13.935 -2.271 -1.850 1.00 0.00 N ATOM 733 CA LYS A 49 -14.854 -1.161 -1.625 1.00 0.00 C ATOM 734 C LYS A 49 -14.374 -0.283 -0.474 1.00 0.00 C ATOM 735 O LYS A 49 -14.719 0.896 -0.396 1.00 0.00 O ATOM 736 CB LYS A 49 -16.260 -1.688 -1.326 1.00 0.00 C ATOM 737 CG LYS A 49 -17.256 -1.429 -2.444 1.00 0.00 C ATOM 738 CD LYS A 49 -18.181 -2.617 -2.652 1.00 0.00 C ATOM 739 CE LYS A 49 -18.449 -2.861 -4.130 1.00 0.00 C ATOM 740 NZ LYS A 49 -19.831 -3.363 -4.367 1.00 0.00 N ATOM 0 H LYS A 49 -14.343 -3.193 -1.696 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.884 -0.557 -2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.205 -2.761 -1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.626 -1.224 -0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.847 -0.544 -2.209 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.720 -1.218 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.736 -3.508 -2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.124 -2.441 -2.134 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.299 -1.934 -4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.729 -3.583 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.975 -3.517 -5.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.966 -4.260 -3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.519 -2.663 -4.022 1.00 0.00 H new ATOM 754 N TYR A 50 -13.577 -0.864 0.415 1.00 0.00 N ATOM 755 CA TYR A 50 -13.050 -0.133 1.562 1.00 0.00 C ATOM 756 C TYR A 50 -11.803 0.658 1.178 1.00 0.00 C ATOM 757 O TYR A 50 -11.746 1.875 1.356 1.00 0.00 O ATOM 758 CB TYR A 50 -12.726 -1.099 2.703 1.00 0.00 C ATOM 759 CG TYR A 50 -13.943 -1.557 3.473 1.00 0.00 C ATOM 760 CD1 TYR A 50 -15.125 -1.875 2.817 1.00 0.00 C ATOM 761 CD2 TYR A 50 -13.911 -1.671 4.857 1.00 0.00 C ATOM 762 CE1 TYR A 50 -16.241 -2.294 3.516 1.00 0.00 C ATOM 763 CE2 TYR A 50 -15.021 -2.090 5.565 1.00 0.00 C ATOM 764 CZ TYR A 50 -16.183 -2.400 4.891 1.00 0.00 C ATOM 765 OH TYR A 50 -17.292 -2.817 5.592 1.00 0.00 O ATOM 0 H TYR A 50 -13.281 -1.839 0.364 1.00 0.00 H new ATOM 0 HA TYR A 50 -13.814 0.569 1.896 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.215 -1.971 2.295 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.032 -0.616 3.391 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.173 -1.793 1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.003 -1.428 5.389 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.152 -2.537 2.990 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -14.979 -2.174 6.641 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.085 -2.839 6.550 1.00 0.00 H new ATOM 775 N TYR A 51 -10.806 -0.044 0.651 1.00 0.00 N ATOM 776 CA TYR A 51 -9.558 0.590 0.243 1.00 0.00 C ATOM 777 C TYR A 51 -9.828 1.868 -0.546 1.00 0.00 C ATOM 778 O TYR A 51 -9.063 2.831 -0.474 1.00 0.00 O ATOM 779 CB TYR A 51 -8.722 -0.375 -0.598 1.00 0.00 C ATOM 780 CG TYR A 51 -7.504 0.265 -1.225 1.00 0.00 C ATOM 781 CD1 TYR A 51 -6.383 0.567 -0.461 1.00 0.00 C ATOM 782 CD2 TYR A 51 -7.474 0.568 -2.580 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.268 1.153 -1.029 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.363 1.153 -3.157 1.00 0.00 C ATOM 785 CZ TYR A 51 -5.263 1.444 -2.377 1.00 0.00 C ATOM 786 OH TYR A 51 -4.154 2.027 -2.947 1.00 0.00 O ATOM 0 H TYR A 51 -10.838 -1.052 0.496 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.002 0.851 1.143 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.402 -1.207 0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.348 -0.793 -1.386 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.383 0.340 0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.334 0.343 -3.193 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.405 1.382 -0.421 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.356 1.381 -4.213 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.312 2.165 -3.904 1.00 0.00 H new ATOM 796 N LYS A 52 -10.923 1.869 -1.300 1.00 0.00 N ATOM 797 CA LYS A 52 -11.298 3.028 -2.102 1.00 0.00 C ATOM 798 C LYS A 52 -12.180 3.981 -1.302 1.00 0.00 C ATOM 799 O LYS A 52 -12.045 5.201 -1.403 1.00 0.00 O ATOM 800 CB LYS A 52 -12.030 2.580 -3.369 1.00 0.00 C ATOM 801 CG LYS A 52 -11.103 2.072 -4.459 1.00 0.00 C ATOM 802 CD LYS A 52 -10.286 3.199 -5.068 1.00 0.00 C ATOM 803 CE LYS A 52 -11.000 3.824 -6.257 1.00 0.00 C ATOM 804 NZ LYS A 52 -11.090 5.306 -6.133 1.00 0.00 N ATOM 0 H LYS A 52 -11.566 1.080 -1.372 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.386 3.555 -2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.738 1.793 -3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.611 3.416 -3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.433 1.318 -4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.689 1.585 -5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.097 3.962 -4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.316 2.817 -5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.470 3.568 -7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.003 3.405 -6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.583 5.694 -6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.617 5.551 -5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.133 5.709 -6.079 1.00 0.00 H new ATOM 818 N LEU A 53 -13.081 3.418 -0.505 1.00 0.00 N ATOM 819 CA LEU A 53 -13.985 4.218 0.315 1.00 0.00 C ATOM 820 C LEU A 53 -13.238 4.862 1.479 1.00 0.00 C ATOM 821 O LEU A 53 -13.024 6.075 1.498 1.00 0.00 O ATOM 822 CB LEU A 53 -15.128 3.350 0.845 1.00 0.00 C ATOM 823 CG LEU A 53 -15.974 3.963 1.961 1.00 0.00 C ATOM 824 CD1 LEU A 53 -15.391 3.618 3.322 1.00 0.00 C ATOM 825 CD2 LEU A 53 -16.073 5.472 1.788 1.00 0.00 C ATOM 0 H LEU A 53 -13.205 2.410 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.398 5.010 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.786 3.102 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.707 2.413 1.209 1.00 0.00 H new ATOM 0 HG LEU A 53 -16.979 3.544 1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.006 4.063 4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.373 2.535 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.376 4.009 3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.679 5.891 2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.075 5.908 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.537 5.699 0.828 1.00 0.00 H new ATOM 837 N LYS A 54 -12.843 4.043 2.447 1.00 0.00 N ATOM 838 CA LYS A 54 -12.116 4.530 3.613 1.00 0.00 C ATOM 839 C LYS A 54 -11.071 5.565 3.210 1.00 0.00 C ATOM 840 O LYS A 54 -10.809 6.517 3.946 1.00 0.00 O ATOM 841 CB LYS A 54 -11.443 3.366 4.343 1.00 0.00 C ATOM 842 CG LYS A 54 -11.394 3.540 5.851 1.00 0.00 C ATOM 843 CD LYS A 54 -12.685 3.081 6.507 1.00 0.00 C ATOM 844 CE LYS A 54 -12.713 3.430 7.988 1.00 0.00 C ATOM 845 NZ LYS A 54 -13.765 2.669 8.717 1.00 0.00 N ATOM 0 H LYS A 54 -13.014 3.037 2.447 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.832 5.006 4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.976 2.445 4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.427 3.251 3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.557 2.972 6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.215 4.588 6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.534 3.546 6.006 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.794 2.003 6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.739 3.218 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.890 4.499 8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.192 3.277 9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.500 2.364 8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.340 1.834 9.169 1.00 0.00 H new ATOM 859 N LEU A 55 -10.478 5.374 2.037 1.00 0.00 N ATOM 860 CA LEU A 55 -9.462 6.292 1.534 1.00 0.00 C ATOM 861 C LEU A 55 -10.079 7.634 1.159 1.00 0.00 C ATOM 862 O LEU A 55 -9.515 8.690 1.443 1.00 0.00 O ATOM 863 CB LEU A 55 -8.753 5.685 0.322 1.00 0.00 C ATOM 864 CG LEU A 55 -7.543 6.459 -0.204 1.00 0.00 C ATOM 865 CD1 LEU A 55 -6.430 6.477 0.832 1.00 0.00 C ATOM 866 CD2 LEU A 55 -7.050 5.853 -1.510 1.00 0.00 C ATOM 0 H LEU A 55 -10.683 4.591 1.416 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.733 6.458 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.430 4.677 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.477 5.588 -0.487 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.848 7.488 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.577 7.032 0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.788 6.957 1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.125 5.455 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.189 6.416 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.761 4.815 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.846 5.893 -2.253 1.00 0.00 H new ATOM 878 N ALA A 56 -11.243 7.587 0.518 1.00 0.00 N ATOM 879 CA ALA A 56 -11.940 8.799 0.107 1.00 0.00 C ATOM 880 C ALA A 56 -12.441 9.580 1.317 1.00 0.00 C ATOM 881 O ALA A 56 -12.235 10.790 1.414 1.00 0.00 O ATOM 882 CB ALA A 56 -13.097 8.455 -0.818 1.00 0.00 C ATOM 0 H ALA A 56 -11.723 6.721 0.272 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.234 9.430 -0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.608 9.370 -1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.716 7.946 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.797 7.802 -0.297 1.00 0.00 H new ATOM 888 N GLU A 57 -13.101 8.882 2.235 1.00 0.00 N ATOM 889 CA GLU A 57 -13.634 9.513 3.437 1.00 0.00 C ATOM 890 C GLU A 57 -12.505 9.988 4.348 1.00 0.00 C ATOM 891 O GLU A 57 -12.655 10.963 5.083 1.00 0.00 O ATOM 892 CB GLU A 57 -14.539 8.537 4.194 1.00 0.00 C ATOM 893 CG GLU A 57 -13.863 7.220 4.535 1.00 0.00 C ATOM 894 CD GLU A 57 -14.569 6.475 5.650 1.00 0.00 C ATOM 895 OE1 GLU A 57 -15.609 5.841 5.377 1.00 0.00 O ATOM 896 OE2 GLU A 57 -14.079 6.525 6.798 1.00 0.00 O ATOM 0 H GLU A 57 -13.280 7.880 2.170 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.221 10.379 3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.879 9.010 5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.425 8.336 3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.832 6.591 3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.830 7.411 4.827 1.00 0.00 H new ATOM 903 N MET A 58 -11.376 9.289 4.293 1.00 0.00 N ATOM 904 CA MET A 58 -10.221 9.639 5.113 1.00 0.00 C ATOM 905 C MET A 58 -9.459 10.812 4.505 1.00 0.00 C ATOM 906 O MET A 58 -8.985 11.693 5.222 1.00 0.00 O ATOM 907 CB MET A 58 -9.290 8.433 5.260 1.00 0.00 C ATOM 908 CG MET A 58 -9.814 7.374 6.216 1.00 0.00 C ATOM 909 SD MET A 58 -9.499 7.781 7.945 1.00 0.00 S ATOM 910 CE MET A 58 -7.812 7.208 8.123 1.00 0.00 C ATOM 0 H MET A 58 -11.236 8.478 3.690 1.00 0.00 H new ATOM 0 HA MET A 58 -10.581 9.934 6.098 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.136 7.982 4.280 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.316 8.776 5.609 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.887 7.253 6.065 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.349 6.416 5.982 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.337 7.729 8.954 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.811 6.136 8.318 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.260 7.411 7.205 1.00 0.00 H new ATOM 920 N GLN A 59 -9.346 10.818 3.181 1.00 0.00 N ATOM 921 CA GLN A 59 -8.640 11.883 2.479 1.00 0.00 C ATOM 922 C GLN A 59 -9.378 13.211 2.622 1.00 0.00 C ATOM 923 O GLN A 59 -8.761 14.258 2.813 1.00 0.00 O ATOM 924 CB GLN A 59 -8.483 11.531 0.999 1.00 0.00 C ATOM 925 CG GLN A 59 -7.210 10.759 0.690 1.00 0.00 C ATOM 926 CD GLN A 59 -6.636 11.100 -0.671 1.00 0.00 C ATOM 927 OE1 GLN A 59 -5.951 12.111 -0.833 1.00 0.00 O ATOM 928 NE2 GLN A 59 -6.913 10.257 -1.659 1.00 0.00 N ATOM 0 H GLN A 59 -9.734 10.097 2.573 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.652 11.986 2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.342 10.941 0.681 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.493 12.450 0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.466 10.971 1.457 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.418 9.690 0.735 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.485 9.431 -1.480 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.554 10.435 -2.597 1.00 0.00 H new