USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 620 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 74 GLN : amide:sc= 0.0389 K(o=0.069,f=-6!) USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0.0297 USER MOD Set 2.1: A 45 HIS : no HD1:sc= -0.0285 X(o=-0.029,f=-0.25) USER MOD Set 2.2: A 81 HIS : no HD1:sc= 0 K(o=-0.029,f=-0.59) USER MOD Set 3.1: A 17 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.13) USER MOD Set 3.2: A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -21:sc= 0.363 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc=-0.00998 X(o=-0.01,f=-0.01) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -82:sc= 1.26 USER MOD Single : A 59 CYS SG : rot 87:sc= -0.218 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.7 K(o=-0.7,f=-3.8!) USER MOD Single : A 78 ASN : amide:sc= -0.06 X(o=-0.06,f=0) USER MOD Single : A 79 MET CE :methyl -103:sc= -1.19 (180deg=-5.6!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N THR A 11 -9.253 -11.045 -9.208 1.00 0.00 N ATOM 114 CA THR A 11 -8.682 -9.977 -8.412 1.00 0.00 C ATOM 115 C THR A 11 -9.254 -8.634 -8.903 1.00 0.00 C ATOM 116 O THR A 11 -9.824 -8.555 -10.001 1.00 0.00 O ATOM 117 CB THR A 11 -7.148 -10.061 -8.566 1.00 0.00 C ATOM 118 OG1 THR A 11 -6.773 -10.293 -9.916 1.00 0.00 O ATOM 119 CG2 THR A 11 -6.576 -11.238 -7.771 1.00 0.00 C ATOM 0 HA THR A 11 -8.931 -10.065 -7.355 1.00 0.00 H new ATOM 0 HB THR A 11 -6.761 -9.108 -8.206 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.529 -10.683 -10.403 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.494 -11.272 -7.899 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.813 -11.113 -6.714 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.013 -12.168 -8.133 1.00 0.00 H new ATOM 127 N SER A 12 -9.076 -7.579 -8.107 1.00 0.00 N ATOM 128 CA SER A 12 -9.534 -6.222 -8.373 1.00 0.00 C ATOM 129 C SER A 12 -8.357 -5.256 -8.252 1.00 0.00 C ATOM 130 O SER A 12 -7.329 -5.576 -7.648 1.00 0.00 O ATOM 131 CB SER A 12 -10.603 -5.863 -7.339 1.00 0.00 C ATOM 132 OG SER A 12 -11.816 -6.538 -7.562 1.00 0.00 O ATOM 0 H SER A 12 -8.584 -7.655 -7.217 1.00 0.00 H new ATOM 0 HA SER A 12 -9.948 -6.153 -9.379 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.235 -6.104 -6.342 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.780 -4.788 -7.362 1.00 0.00 H new ATOM 0 HG SER A 12 -12.466 -6.278 -6.876 1.00 0.00 H new ATOM 138 N ASP A 13 -8.531 -4.045 -8.770 1.00 0.00 N ATOM 139 CA ASP A 13 -7.588 -2.935 -8.748 1.00 0.00 C ATOM 140 C ASP A 13 -8.318 -1.705 -8.219 1.00 0.00 C ATOM 141 O ASP A 13 -9.034 -1.001 -8.938 1.00 0.00 O ATOM 142 CB ASP A 13 -6.932 -2.718 -10.127 1.00 0.00 C ATOM 143 CG ASP A 13 -7.889 -2.292 -11.243 1.00 0.00 C ATOM 144 OD1 ASP A 13 -9.003 -2.849 -11.343 1.00 0.00 O ATOM 145 OD2 ASP A 13 -7.522 -1.429 -12.068 1.00 0.00 O ATOM 0 H ASP A 13 -9.396 -3.797 -9.250 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.755 -3.155 -8.080 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.155 -1.960 -10.027 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.438 -3.643 -10.426 1.00 0.00 H new ATOM 150 N VAL A 14 -8.191 -1.469 -6.916 1.00 0.00 N ATOM 151 CA VAL A 14 -8.725 -0.274 -6.288 1.00 0.00 C ATOM 152 C VAL A 14 -7.617 0.768 -6.370 1.00 0.00 C ATOM 153 O VAL A 14 -6.630 0.659 -5.639 1.00 0.00 O ATOM 154 CB VAL A 14 -9.235 -0.549 -4.859 1.00 0.00 C ATOM 155 CG1 VAL A 14 -10.025 0.677 -4.392 1.00 0.00 C ATOM 156 CG2 VAL A 14 -10.156 -1.780 -4.816 1.00 0.00 C ATOM 0 H VAL A 14 -7.716 -2.101 -6.272 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.614 0.095 -6.800 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.380 -0.744 -4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.397 0.507 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.375 1.552 -4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.866 0.846 -5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.497 -1.944 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.017 -1.613 -5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.608 -2.657 -5.161 1.00 0.00 H new ATOM 166 N VAL A 15 -7.740 1.717 -7.305 1.00 0.00 N ATOM 167 CA VAL A 15 -6.724 2.741 -7.511 1.00 0.00 C ATOM 168 C VAL A 15 -7.268 4.046 -6.968 1.00 0.00 C ATOM 169 O VAL A 15 -8.239 4.596 -7.494 1.00 0.00 O ATOM 170 CB VAL A 15 -6.229 2.852 -8.963 1.00 0.00 C ATOM 171 CG1 VAL A 15 -4.838 3.504 -8.957 1.00 0.00 C ATOM 172 CG2 VAL A 15 -6.103 1.478 -9.609 1.00 0.00 C ATOM 0 H VAL A 15 -8.541 1.792 -7.932 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.823 2.458 -6.966 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.948 3.445 -9.528 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.472 3.590 -9.980 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.903 4.496 -8.510 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.150 2.889 -8.376 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.751 1.589 -10.635 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.392 0.875 -9.045 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.076 0.986 -9.610 1.00 0.00 H new ATOM 182 N ILE A 16 -6.665 4.506 -5.882 1.00 0.00 N ATOM 183 CA ILE A 16 -7.057 5.726 -5.196 1.00 0.00 C ATOM 184 C ILE A 16 -5.958 6.736 -5.471 1.00 0.00 C ATOM 185 O ILE A 16 -4.780 6.398 -5.390 1.00 0.00 O ATOM 186 CB ILE A 16 -7.259 5.456 -3.692 1.00 0.00 C ATOM 187 CG1 ILE A 16 -8.413 4.451 -3.476 1.00 0.00 C ATOM 188 CG2 ILE A 16 -7.581 6.747 -2.915 1.00 0.00 C ATOM 189 CD1 ILE A 16 -8.151 3.538 -2.285 1.00 0.00 C ATOM 0 H ILE A 16 -5.874 4.032 -5.445 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.012 6.112 -5.553 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.323 5.044 -3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.344 4.995 -3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.543 3.848 -4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.716 6.512 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.759 7.454 -3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.496 7.190 -3.308 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.985 2.846 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.233 2.974 -2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.047 4.139 -1.382 1.00 0.00 H new ATOM 201 N HIS A 17 -6.366 7.964 -5.778 1.00 0.00 N ATOM 202 CA HIS A 17 -5.519 9.105 -6.080 1.00 0.00 C ATOM 203 C HIS A 17 -5.852 10.168 -5.028 1.00 0.00 C ATOM 204 O HIS A 17 -6.999 10.625 -4.984 1.00 0.00 O ATOM 205 CB HIS A 17 -5.768 9.578 -7.524 1.00 0.00 C ATOM 206 CG HIS A 17 -5.702 8.462 -8.544 1.00 0.00 C ATOM 207 ND1 HIS A 17 -4.629 8.127 -9.341 1.00 0.00 N ATOM 208 CD2 HIS A 17 -6.695 7.554 -8.786 1.00 0.00 C ATOM 209 CE1 HIS A 17 -4.966 7.013 -10.022 1.00 0.00 C ATOM 210 NE2 HIS A 17 -6.223 6.636 -9.727 1.00 0.00 N ATOM 0 H HIS A 17 -7.357 8.199 -5.824 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.456 8.867 -6.032 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -6.748 10.052 -7.579 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.031 10.339 -7.781 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.674 7.548 -8.329 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.315 6.494 -10.710 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.730 5.839 -10.113 1.00 0.00 H new ATOM 218 N ARG A 18 -4.922 10.529 -4.135 1.00 0.00 N ATOM 219 CA ARG A 18 -5.145 11.587 -3.138 1.00 0.00 C ATOM 220 C ARG A 18 -4.599 12.902 -3.676 1.00 0.00 C ATOM 221 O ARG A 18 -4.048 12.941 -4.774 1.00 0.00 O ATOM 222 CB ARG A 18 -4.577 11.212 -1.751 1.00 0.00 C ATOM 223 CG ARG A 18 -3.076 10.864 -1.770 1.00 0.00 C ATOM 224 CD ARG A 18 -2.495 10.426 -0.421 1.00 0.00 C ATOM 225 NE ARG A 18 -1.026 10.505 -0.443 1.00 0.00 N ATOM 226 CZ ARG A 18 -0.144 9.988 0.414 1.00 0.00 C ATOM 227 NH1 ARG A 18 -0.536 9.283 1.466 1.00 0.00 N ATOM 228 NH2 ARG A 18 1.152 10.199 0.218 1.00 0.00 N ATOM 0 H ARG A 18 -3.998 10.100 -4.082 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.216 11.707 -2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.740 12.043 -1.065 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.133 10.361 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.913 10.067 -2.495 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.521 11.734 -2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.887 11.060 0.374 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.807 9.406 -0.198 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.626 11.028 -1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.530 9.126 1.633 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.156 8.897 2.108 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.464 10.751 -0.581 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.836 9.809 0.866 1.00 0.00 H new ATOM 242 N LYS A 19 -4.815 13.986 -2.934 1.00 0.00 N ATOM 243 CA LYS A 19 -4.151 15.267 -3.132 1.00 0.00 C ATOM 244 C LYS A 19 -2.794 15.186 -2.425 1.00 0.00 C ATOM 245 O LYS A 19 -2.568 14.258 -1.653 1.00 0.00 O ATOM 246 CB LYS A 19 -5.034 16.357 -2.498 1.00 0.00 C ATOM 247 CG LYS A 19 -6.276 16.790 -3.297 1.00 0.00 C ATOM 248 CD LYS A 19 -7.237 15.731 -3.874 1.00 0.00 C ATOM 249 CE LYS A 19 -7.956 14.846 -2.835 1.00 0.00 C ATOM 250 NZ LYS A 19 -9.236 14.316 -3.369 1.00 0.00 N ATOM 0 H LYS A 19 -5.476 13.995 -2.157 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.001 15.501 -4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.364 16.003 -1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.416 17.238 -2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.864 17.442 -2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.927 17.398 -4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.991 16.240 -4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.675 15.085 -4.548 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.308 14.017 -2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.149 15.425 -1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.695 13.725 -2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.863 15.108 -3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.048 13.743 -4.217 1.00 0.00 H new ATOM 264 N GLU A 20 -1.899 16.155 -2.591 1.00 0.00 N ATOM 265 CA GLU A 20 -0.621 16.191 -1.868 1.00 0.00 C ATOM 266 C GLU A 20 -0.778 16.623 -0.403 1.00 0.00 C ATOM 267 O GLU A 20 0.179 16.612 0.365 1.00 0.00 O ATOM 268 CB GLU A 20 0.356 17.142 -2.581 1.00 0.00 C ATOM 269 CG GLU A 20 1.680 16.437 -2.873 1.00 0.00 C ATOM 270 CD GLU A 20 2.555 16.179 -1.639 1.00 0.00 C ATOM 271 OE1 GLU A 20 2.402 15.128 -0.976 1.00 0.00 O ATOM 272 OE2 GLU A 20 3.447 17.012 -1.358 1.00 0.00 O ATOM 0 H GLU A 20 -2.034 16.939 -3.229 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.229 15.174 -1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.087 17.495 -3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.535 18.020 -1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.469 15.484 -3.358 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.247 17.038 -3.584 1.00 0.00 H new ATOM 279 N ASN A 21 -1.964 17.092 -0.039 1.00 0.00 N ATOM 280 CA ASN A 21 -2.186 17.904 1.159 1.00 0.00 C ATOM 281 C ASN A 21 -2.723 17.137 2.376 1.00 0.00 C ATOM 282 O ASN A 21 -2.502 17.543 3.515 1.00 0.00 O ATOM 283 CB ASN A 21 -3.175 19.008 0.787 1.00 0.00 C ATOM 284 CG ASN A 21 -3.408 19.934 1.961 1.00 0.00 C ATOM 285 OD1 ASN A 21 -2.499 20.660 2.362 1.00 0.00 O ATOM 286 ND2 ASN A 21 -4.609 19.937 2.506 1.00 0.00 N ATOM 0 H ASN A 21 -2.815 16.918 -0.574 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.213 18.286 1.469 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.792 19.576 -0.061 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.120 18.566 0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.812 20.557 3.290 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.335 19.319 2.143 1.00 0.00 H new ATOM 293 N GLU A 22 -3.441 16.045 2.151 1.00 0.00 N ATOM 294 CA GLU A 22 -4.243 15.343 3.150 1.00 0.00 C ATOM 295 C GLU A 22 -3.638 13.962 3.383 1.00 0.00 C ATOM 296 O GLU A 22 -2.467 13.860 3.758 1.00 0.00 O ATOM 297 CB GLU A 22 -5.741 15.407 2.777 1.00 0.00 C ATOM 298 CG GLU A 22 -6.099 15.156 1.298 1.00 0.00 C ATOM 299 CD GLU A 22 -6.825 16.361 0.683 1.00 0.00 C ATOM 300 OE1 GLU A 22 -6.255 17.472 0.649 1.00 0.00 O ATOM 301 OE2 GLU A 22 -7.974 16.187 0.212 1.00 0.00 O ATOM 0 H GLU A 22 -3.484 15.605 1.232 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.213 15.827 4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.274 14.676 3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.119 16.390 3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.190 14.950 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.730 14.271 1.220 1.00 0.00 H new ATOM 308 N GLY A 23 -4.407 12.902 3.175 1.00 0.00 N ATOM 309 CA GLY A 23 -3.895 11.546 3.112 1.00 0.00 C ATOM 310 C GLY A 23 -4.811 10.660 2.280 1.00 0.00 C ATOM 311 O GLY A 23 -5.834 11.101 1.752 1.00 0.00 O ATOM 0 H GLY A 23 -5.417 12.964 3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.895 11.550 2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.805 11.139 4.119 1.00 0.00 H new ATOM 315 N PHE A 24 -4.459 9.378 2.179 1.00 0.00 N ATOM 316 CA PHE A 24 -5.444 8.336 1.984 1.00 0.00 C ATOM 317 C PHE A 24 -6.182 8.166 3.312 1.00 0.00 C ATOM 318 O PHE A 24 -5.739 8.656 4.357 1.00 0.00 O ATOM 319 CB PHE A 24 -4.770 7.013 1.605 1.00 0.00 C ATOM 320 CG PHE A 24 -3.872 7.039 0.386 1.00 0.00 C ATOM 321 CD1 PHE A 24 -4.427 7.275 -0.887 1.00 0.00 C ATOM 322 CD2 PHE A 24 -2.495 6.756 0.513 1.00 0.00 C ATOM 323 CE1 PHE A 24 -3.608 7.253 -2.029 1.00 0.00 C ATOM 324 CE2 PHE A 24 -1.676 6.739 -0.630 1.00 0.00 C ATOM 325 CZ PHE A 24 -2.234 6.993 -1.896 1.00 0.00 C ATOM 0 H PHE A 24 -3.496 9.045 2.230 1.00 0.00 H new ATOM 0 HA PHE A 24 -6.125 8.608 1.177 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.180 6.674 2.457 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.548 6.268 1.440 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.484 7.473 -0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.071 6.553 1.486 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.033 7.435 -3.005 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.620 6.531 -0.536 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.602 6.988 -2.772 1.00 0.00 H new ATOM 335 N GLY A 25 -7.257 7.387 3.297 1.00 0.00 N ATOM 336 CA GLY A 25 -8.103 7.196 4.458 1.00 0.00 C ATOM 337 C GLY A 25 -8.458 5.740 4.654 1.00 0.00 C ATOM 338 O GLY A 25 -9.631 5.415 4.571 1.00 0.00 O ATOM 0 H GLY A 25 -7.564 6.870 2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.593 7.570 5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.015 7.782 4.344 1.00 0.00 H new ATOM 342 N PHE A 26 -7.488 4.859 4.884 1.00 0.00 N ATOM 343 CA PHE A 26 -7.728 3.443 5.117 1.00 0.00 C ATOM 344 C PHE A 26 -6.694 2.920 6.106 1.00 0.00 C ATOM 345 O PHE A 26 -5.519 3.285 6.013 1.00 0.00 O ATOM 346 CB PHE A 26 -7.696 2.684 3.778 1.00 0.00 C ATOM 347 CG PHE A 26 -6.342 2.533 3.096 1.00 0.00 C ATOM 348 CD1 PHE A 26 -5.752 3.626 2.433 1.00 0.00 C ATOM 349 CD2 PHE A 26 -5.690 1.286 3.074 1.00 0.00 C ATOM 350 CE1 PHE A 26 -4.535 3.467 1.741 1.00 0.00 C ATOM 351 CE2 PHE A 26 -4.482 1.124 2.373 1.00 0.00 C ATOM 352 CZ PHE A 26 -3.902 2.215 1.706 1.00 0.00 C ATOM 0 H PHE A 26 -6.501 5.115 4.914 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.715 3.287 5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.103 1.687 3.945 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.368 3.191 3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.235 4.592 2.455 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.121 0.447 3.600 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.088 4.311 1.236 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.999 0.158 2.348 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.973 2.091 1.169 1.00 0.00 H new ATOM 362 N VAL A 27 -7.118 2.059 7.029 1.00 0.00 N ATOM 363 CA VAL A 27 -6.244 1.329 7.942 1.00 0.00 C ATOM 364 C VAL A 27 -6.277 -0.140 7.522 1.00 0.00 C ATOM 365 O VAL A 27 -7.277 -0.606 6.965 1.00 0.00 O ATOM 366 CB VAL A 27 -6.696 1.577 9.402 1.00 0.00 C ATOM 367 CG1 VAL A 27 -7.759 0.596 9.864 1.00 0.00 C ATOM 368 CG2 VAL A 27 -5.537 1.567 10.404 1.00 0.00 C ATOM 0 H VAL A 27 -8.106 1.845 7.165 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.210 1.670 7.894 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.125 2.579 9.383 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.036 0.819 10.894 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.637 0.684 9.225 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.367 -0.419 9.805 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.922 1.747 11.408 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.039 0.598 10.375 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.824 2.349 10.144 1.00 0.00 H new ATOM 378 N ILE A 28 -5.225 -0.883 7.837 1.00 0.00 N ATOM 379 CA ILE A 28 -5.050 -2.278 7.514 1.00 0.00 C ATOM 380 C ILE A 28 -4.682 -2.968 8.821 1.00 0.00 C ATOM 381 O ILE A 28 -3.665 -2.612 9.428 1.00 0.00 O ATOM 382 CB ILE A 28 -3.952 -2.458 6.446 1.00 0.00 C ATOM 383 CG1 ILE A 28 -4.066 -1.490 5.242 1.00 0.00 C ATOM 384 CG2 ILE A 28 -4.010 -3.908 5.974 1.00 0.00 C ATOM 385 CD1 ILE A 28 -3.224 -0.220 5.448 1.00 0.00 C ATOM 0 H ILE A 28 -4.432 -0.501 8.353 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.956 -2.711 7.090 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.993 -2.215 6.905 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.740 -1.999 4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.110 -1.214 5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.245 -4.075 5.215 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.833 -4.573 6.819 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.993 -4.114 5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.331 0.432 4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.567 0.303 6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.176 -0.494 5.568 1.00 0.00 H new ATOM 397 N ILE A 29 -5.506 -3.913 9.265 1.00 0.00 N ATOM 398 CA ILE A 29 -5.296 -4.640 10.502 1.00 0.00 C ATOM 399 C ILE A 29 -4.984 -6.101 10.171 1.00 0.00 C ATOM 400 O ILE A 29 -5.387 -6.592 9.112 1.00 0.00 O ATOM 401 CB ILE A 29 -6.511 -4.445 11.433 1.00 0.00 C ATOM 402 CG1 ILE A 29 -7.807 -5.148 10.969 1.00 0.00 C ATOM 403 CG2 ILE A 29 -6.774 -2.941 11.654 1.00 0.00 C ATOM 404 CD1 ILE A 29 -8.881 -5.136 12.066 1.00 0.00 C ATOM 0 H ILE A 29 -6.349 -4.195 8.765 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.437 -4.254 11.051 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.238 -4.930 12.370 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.191 -4.652 10.078 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.583 -6.178 10.690 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.633 -2.815 12.312 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.897 -2.481 12.110 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.978 -2.463 10.696 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.777 -5.639 11.703 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.506 -5.655 12.948 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.123 -4.106 12.327 1.00 0.00 H new ATOM 616 N PRO A 44 -4.682 -12.251 6.652 1.00 0.00 N ATOM 617 CA PRO A 44 -3.925 -11.339 7.493 1.00 0.00 C ATOM 618 C PRO A 44 -4.445 -9.915 7.257 1.00 0.00 C ATOM 619 O PRO A 44 -5.306 -9.450 7.996 1.00 0.00 O ATOM 620 CB PRO A 44 -2.451 -11.543 7.117 1.00 0.00 C ATOM 621 CG PRO A 44 -2.505 -12.033 5.667 1.00 0.00 C ATOM 622 CD PRO A 44 -3.867 -12.724 5.542 1.00 0.00 C ATOM 0 HA PRO A 44 -4.035 -11.522 8.562 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.884 -10.616 7.205 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.970 -12.273 7.768 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.415 -11.204 4.965 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.689 -12.723 5.451 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.336 -12.484 4.588 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.756 -13.808 5.578 1.00 0.00 H new ATOM 630 N HIS A 45 -3.945 -9.237 6.224 1.00 0.00 N ATOM 631 CA HIS A 45 -4.255 -7.852 5.934 1.00 0.00 C ATOM 632 C HIS A 45 -5.679 -7.722 5.399 1.00 0.00 C ATOM 633 O HIS A 45 -6.019 -8.263 4.343 1.00 0.00 O ATOM 634 CB HIS A 45 -3.242 -7.308 4.923 1.00 0.00 C ATOM 635 CG HIS A 45 -1.910 -6.934 5.524 1.00 0.00 C ATOM 636 ND1 HIS A 45 -1.283 -7.492 6.618 1.00 0.00 N ATOM 637 CD2 HIS A 45 -1.113 -5.926 5.065 1.00 0.00 C ATOM 638 CE1 HIS A 45 -0.109 -6.860 6.778 1.00 0.00 C ATOM 639 NE2 HIS A 45 0.018 -5.866 5.884 1.00 0.00 N ATOM 0 H HIS A 45 -3.298 -9.653 5.554 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.190 -7.268 6.852 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.081 -8.057 4.148 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.667 -6.431 4.435 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.320 -5.288 4.219 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.631 -7.116 7.522 1.00 0.00 H new ATOM 0 HE2 HIS A 45 0.787 -5.200 5.816 1.00 0.00 H new ATOM 647 N LYS A 46 -6.497 -6.944 6.099 1.00 0.00 N ATOM 648 CA LYS A 46 -7.810 -6.505 5.639 1.00 0.00 C ATOM 649 C LYS A 46 -7.957 -5.037 5.995 1.00 0.00 C ATOM 650 O LYS A 46 -7.368 -4.578 6.980 1.00 0.00 O ATOM 651 CB LYS A 46 -8.942 -7.344 6.269 1.00 0.00 C ATOM 652 CG LYS A 46 -9.020 -7.256 7.806 1.00 0.00 C ATOM 653 CD LYS A 46 -10.320 -7.846 8.367 1.00 0.00 C ATOM 654 CE LYS A 46 -10.424 -7.459 9.849 1.00 0.00 C ATOM 655 NZ LYS A 46 -11.768 -7.692 10.420 1.00 0.00 N ATOM 0 H LYS A 46 -6.259 -6.592 7.026 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.888 -6.643 4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.894 -7.020 5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.807 -8.387 5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.170 -7.783 8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.938 -6.213 8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.179 -7.466 7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.324 -8.930 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.691 -8.029 10.419 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.166 -6.406 9.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.773 -7.411 11.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.469 -7.128 9.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.008 -8.701 10.342 1.00 0.00 H new ATOM 669 N ILE A 47 -8.797 -4.321 5.258 1.00 0.00 N ATOM 670 CA ILE A 47 -9.247 -2.993 5.646 1.00 0.00 C ATOM 671 C ILE A 47 -9.979 -3.120 6.978 1.00 0.00 C ATOM 672 O ILE A 47 -10.923 -3.913 7.087 1.00 0.00 O ATOM 673 CB ILE A 47 -10.157 -2.394 4.560 1.00 0.00 C ATOM 674 CG1 ILE A 47 -9.383 -2.189 3.249 1.00 0.00 C ATOM 675 CG2 ILE A 47 -10.847 -1.090 5.017 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.599 -0.894 3.119 1.00 0.00 C ATOM 0 H ILE A 47 -9.185 -4.647 4.373 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.399 -2.318 5.757 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.953 -3.116 4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.689 -3.021 3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.092 -2.243 2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.477 -0.710 4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.461 -1.292 5.894 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.090 -0.346 5.267 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.097 -0.868 2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.280 -0.047 3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.856 -0.837 3.915 1.00 0.00 H new ATOM 688 N GLY A 48 -9.559 -2.309 7.948 1.00 0.00 N ATOM 689 CA GLY A 48 -10.211 -2.178 9.238 1.00 0.00 C ATOM 690 C GLY A 48 -11.298 -1.107 9.185 1.00 0.00 C ATOM 691 O GLY A 48 -12.492 -1.393 9.209 1.00 0.00 O ATOM 0 H GLY A 48 -8.737 -1.714 7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.648 -3.133 9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.475 -1.919 9.999 1.00 0.00 H new ATOM 695 N ARG A 49 -10.872 0.148 9.067 1.00 0.00 N ATOM 696 CA ARG A 49 -11.654 1.374 9.012 1.00 0.00 C ATOM 697 C ARG A 49 -11.212 2.139 7.780 1.00 0.00 C ATOM 698 O ARG A 49 -10.046 2.052 7.383 1.00 0.00 O ATOM 699 CB ARG A 49 -11.357 2.177 10.297 1.00 0.00 C ATOM 700 CG ARG A 49 -11.959 3.593 10.372 1.00 0.00 C ATOM 701 CD ARG A 49 -11.447 4.415 11.560 1.00 0.00 C ATOM 702 NE ARG A 49 -11.657 3.760 12.858 1.00 0.00 N ATOM 703 CZ ARG A 49 -11.316 4.276 14.041 1.00 0.00 C ATOM 704 NH1 ARG A 49 -10.745 5.474 14.134 1.00 0.00 N ATOM 705 NH2 ARG A 49 -11.557 3.600 15.158 1.00 0.00 N ATOM 0 H ARG A 49 -9.874 0.348 9.001 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.725 1.183 8.952 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.722 1.605 11.150 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.276 2.259 10.407 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.732 4.125 9.448 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.044 3.514 10.436 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.382 4.608 11.427 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.948 5.383 11.565 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.097 2.840 12.855 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.560 6.017 13.291 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.493 5.849 15.048 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.004 2.684 15.114 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.295 3.997 16.061 1.00 0.00 H new ATOM 719 N ILE A 50 -12.116 2.951 7.250 1.00 0.00 N ATOM 720 CA ILE A 50 -11.834 3.965 6.257 1.00 0.00 C ATOM 721 C ILE A 50 -12.224 5.308 6.883 1.00 0.00 C ATOM 722 O ILE A 50 -13.169 5.385 7.669 1.00 0.00 O ATOM 723 CB ILE A 50 -12.552 3.562 4.951 1.00 0.00 C ATOM 724 CG1 ILE A 50 -11.648 2.559 4.195 1.00 0.00 C ATOM 725 CG2 ILE A 50 -12.918 4.748 4.052 1.00 0.00 C ATOM 726 CD1 ILE A 50 -12.342 1.890 3.002 1.00 0.00 C ATOM 0 H ILE A 50 -13.101 2.916 7.513 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.786 4.063 5.972 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.505 3.107 5.221 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.757 3.079 3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.313 1.788 4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.419 4.384 3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.584 5.421 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.012 5.284 3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.650 1.200 2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.217 1.342 3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.652 2.652 2.287 1.00 0.00 H new ATOM 738 N ILE A 51 -11.439 6.345 6.593 1.00 0.00 N ATOM 739 CA ILE A 51 -11.666 7.705 7.059 1.00 0.00 C ATOM 740 C ILE A 51 -12.848 8.241 6.266 1.00 0.00 C ATOM 741 O ILE A 51 -12.801 8.267 5.032 1.00 0.00 O ATOM 742 CB ILE A 51 -10.407 8.576 6.885 1.00 0.00 C ATOM 743 CG1 ILE A 51 -9.188 8.006 7.637 1.00 0.00 C ATOM 744 CG2 ILE A 51 -10.628 10.044 7.280 1.00 0.00 C ATOM 745 CD1 ILE A 51 -9.348 7.868 9.152 1.00 0.00 C ATOM 0 H ILE A 51 -10.606 6.256 6.011 1.00 0.00 H new ATOM 0 HA ILE A 51 -11.885 7.724 8.127 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.195 8.550 5.816 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.956 7.024 7.224 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.329 8.647 7.438 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -9.704 10.603 7.134 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.414 10.474 6.659 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.923 10.098 8.328 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.433 7.458 9.579 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.545 8.848 9.588 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.181 7.200 9.371 1.00 0.00 H new ATOM 757 N ASP A 52 -13.898 8.665 6.959 1.00 0.00 N ATOM 758 CA ASP A 52 -15.067 9.227 6.302 1.00 0.00 C ATOM 759 C ASP A 52 -14.670 10.472 5.507 1.00 0.00 C ATOM 760 O ASP A 52 -13.864 11.284 5.969 1.00 0.00 O ATOM 761 CB ASP A 52 -16.183 9.510 7.316 1.00 0.00 C ATOM 762 CG ASP A 52 -17.161 8.343 7.306 1.00 0.00 C ATOM 763 OD1 ASP A 52 -17.994 8.294 6.369 1.00 0.00 O ATOM 764 OD2 ASP A 52 -17.051 7.444 8.169 1.00 0.00 O ATOM 0 H ASP A 52 -13.962 8.629 7.976 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.467 8.499 5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.763 9.642 8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.698 10.436 7.062 1.00 0.00 H new ATOM 769 N GLY A 53 -15.208 10.588 4.290 1.00 0.00 N ATOM 770 CA GLY A 53 -14.964 11.669 3.343 1.00 0.00 C ATOM 771 C GLY A 53 -13.632 11.569 2.595 1.00 0.00 C ATOM 772 O GLY A 53 -13.384 12.387 1.707 1.00 0.00 O ATOM 0 H GLY A 53 -15.858 9.893 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.775 11.687 2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.995 12.618 3.878 1.00 0.00 H new ATOM 776 N SER A 54 -12.768 10.602 2.922 1.00 0.00 N ATOM 777 CA SER A 54 -11.453 10.510 2.299 1.00 0.00 C ATOM 778 C SER A 54 -11.532 10.123 0.820 1.00 0.00 C ATOM 779 O SER A 54 -12.545 9.579 0.371 1.00 0.00 O ATOM 780 CB SER A 54 -10.583 9.500 3.052 1.00 0.00 C ATOM 781 OG SER A 54 -11.145 8.200 3.035 1.00 0.00 O ATOM 0 H SER A 54 -12.959 9.876 3.613 1.00 0.00 H new ATOM 0 HA SER A 54 -11.003 11.501 2.354 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.590 9.472 2.604 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.458 9.828 4.084 1.00 0.00 H new ATOM 0 HG SER A 54 -11.830 8.130 3.733 1.00 0.00 H new ATOM 787 N PRO A 55 -10.414 10.255 0.082 1.00 0.00 N ATOM 788 CA PRO A 55 -10.283 9.660 -1.235 1.00 0.00 C ATOM 789 C PRO A 55 -10.473 8.140 -1.212 1.00 0.00 C ATOM 790 O PRO A 55 -10.932 7.599 -2.214 1.00 0.00 O ATOM 791 CB PRO A 55 -8.891 10.056 -1.746 1.00 0.00 C ATOM 792 CG PRO A 55 -8.125 10.474 -0.494 1.00 0.00 C ATOM 793 CD PRO A 55 -9.216 11.006 0.424 1.00 0.00 C ATOM 0 HA PRO A 55 -11.065 10.026 -1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.402 9.222 -2.250 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.950 10.873 -2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.597 9.632 -0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.378 11.237 -0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.950 10.865 1.472 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.367 12.075 0.275 1.00 0.00 H new ATOM 801 N ALA A 56 -10.148 7.442 -0.109 1.00 0.00 N ATOM 802 CA ALA A 56 -10.361 5.999 -0.044 1.00 0.00 C ATOM 803 C ALA A 56 -11.856 5.692 -0.162 1.00 0.00 C ATOM 804 O ALA A 56 -12.249 4.926 -1.041 1.00 0.00 O ATOM 805 CB ALA A 56 -9.753 5.410 1.235 1.00 0.00 C ATOM 0 H ALA A 56 -9.744 7.852 0.733 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.850 5.524 -0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.926 4.334 1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.681 5.606 1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.220 5.871 2.105 1.00 0.00 H new ATOM 811 N ASP A 57 -12.681 6.309 0.694 1.00 0.00 N ATOM 812 CA ASP A 57 -14.123 6.064 0.680 1.00 0.00 C ATOM 813 C ASP A 57 -14.740 6.579 -0.615 1.00 0.00 C ATOM 814 O ASP A 57 -15.523 5.884 -1.252 1.00 0.00 O ATOM 815 CB ASP A 57 -14.826 6.738 1.869 1.00 0.00 C ATOM 816 CG ASP A 57 -16.197 6.120 2.186 1.00 0.00 C ATOM 817 OD1 ASP A 57 -16.679 5.198 1.486 1.00 0.00 O ATOM 818 OD2 ASP A 57 -16.800 6.556 3.198 1.00 0.00 O ATOM 0 H ASP A 57 -12.374 6.978 1.400 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.264 4.986 0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.188 6.665 2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.953 7.799 1.655 1.00 0.00 H new ATOM 823 N ARG A 58 -14.383 7.798 -1.036 1.00 0.00 N ATOM 824 CA ARG A 58 -15.025 8.433 -2.187 1.00 0.00 C ATOM 825 C ARG A 58 -14.626 7.810 -3.516 1.00 0.00 C ATOM 826 O ARG A 58 -15.420 7.875 -4.456 1.00 0.00 O ATOM 827 CB ARG A 58 -14.779 9.944 -2.192 1.00 0.00 C ATOM 828 CG ARG A 58 -15.588 10.613 -1.071 1.00 0.00 C ATOM 829 CD ARG A 58 -15.611 12.131 -1.257 1.00 0.00 C ATOM 830 NE ARG A 58 -16.957 12.666 -1.035 1.00 0.00 N ATOM 831 CZ ARG A 58 -17.545 13.673 -1.680 1.00 0.00 C ATOM 832 NH1 ARG A 58 -16.833 14.485 -2.450 1.00 0.00 N ATOM 833 NH2 ARG A 58 -18.859 13.828 -1.574 1.00 0.00 N ATOM 0 H ARG A 58 -13.655 8.361 -0.597 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.095 8.255 -2.075 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.717 10.148 -2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.064 10.364 -3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.607 10.226 -1.069 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.152 10.366 -0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.911 12.597 -0.563 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.277 12.383 -2.263 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.507 12.216 -0.303 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.828 14.341 -2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.290 15.254 -2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.405 13.181 -1.005 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -19.323 14.594 -2.062 1.00 0.00 H new ATOM 847 N CYS A 59 -13.479 7.128 -3.617 1.00 0.00 N ATOM 848 CA CYS A 59 -13.225 6.265 -4.766 1.00 0.00 C ATOM 849 C CYS A 59 -14.262 5.134 -4.862 1.00 0.00 C ATOM 850 O CYS A 59 -14.439 4.596 -5.953 1.00 0.00 O ATOM 851 CB CYS A 59 -11.790 5.726 -4.742 1.00 0.00 C ATOM 852 SG CYS A 59 -10.659 7.011 -5.356 1.00 0.00 S ATOM 0 H CYS A 59 -12.727 7.158 -2.928 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.331 6.868 -5.667 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.514 5.436 -3.728 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.714 4.832 -5.361 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.299 7.779 -4.371 1.00 0.00 H new ATOM 858 N ALA A 60 -14.996 4.824 -3.785 1.00 0.00 N ATOM 859 CA ALA A 60 -16.148 3.924 -3.650 1.00 0.00 C ATOM 860 C ALA A 60 -15.846 2.448 -3.904 1.00 0.00 C ATOM 861 O ALA A 60 -16.531 1.580 -3.368 1.00 0.00 O ATOM 862 CB ALA A 60 -17.334 4.413 -4.489 1.00 0.00 C ATOM 0 H ALA A 60 -14.770 5.247 -2.885 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.421 3.969 -2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.172 3.727 -4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.629 5.408 -4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.045 4.453 -5.539 1.00 0.00 H new ATOM 868 N LYS A 61 -14.811 2.144 -4.681 1.00 0.00 N ATOM 869 CA LYS A 61 -14.327 0.794 -4.936 1.00 0.00 C ATOM 870 C LYS A 61 -13.591 0.207 -3.728 1.00 0.00 C ATOM 871 O LYS A 61 -13.270 -0.978 -3.764 1.00 0.00 O ATOM 872 CB LYS A 61 -13.443 0.824 -6.188 1.00 0.00 C ATOM 873 CG LYS A 61 -14.305 1.109 -7.434 1.00 0.00 C ATOM 874 CD LYS A 61 -14.150 0.032 -8.506 1.00 0.00 C ATOM 875 CE LYS A 61 -14.662 -1.357 -8.110 1.00 0.00 C ATOM 876 NZ LYS A 61 -16.136 -1.457 -8.093 1.00 0.00 N ATOM 0 H LYS A 61 -14.268 2.857 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.177 0.134 -5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.675 1.591 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.927 -0.130 -6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -15.352 1.178 -7.140 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.027 2.077 -7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.679 0.355 -9.403 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.095 -0.048 -8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.263 -2.095 -8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.277 -1.610 -7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.415 -2.420 -7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.522 -0.776 -7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.509 -1.246 -9.040 1.00 0.00 H new ATOM 890 N LEU A 62 -13.311 0.992 -2.675 1.00 0.00 N ATOM 891 CA LEU A 62 -12.744 0.482 -1.433 1.00 0.00 C ATOM 892 C LEU A 62 -13.826 0.517 -0.363 1.00 0.00 C ATOM 893 O LEU A 62 -14.410 1.568 -0.094 1.00 0.00 O ATOM 894 CB LEU A 62 -11.499 1.275 -0.974 1.00 0.00 C ATOM 895 CG LEU A 62 -10.273 0.408 -0.588 1.00 0.00 C ATOM 896 CD1 LEU A 62 -9.329 1.216 0.310 1.00 0.00 C ATOM 897 CD2 LEU A 62 -10.583 -0.909 0.134 1.00 0.00 C ATOM 0 H LEU A 62 -13.475 1.999 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 62 -12.404 -0.540 -1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.206 1.956 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.774 1.889 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.826 0.138 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.469 0.603 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.989 2.103 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.857 1.517 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.652 -1.431 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.110 -0.698 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.208 -1.535 -0.503 1.00 0.00 H new ATOM 909 N LYS A 63 -14.072 -0.631 0.262 1.00 0.00 N ATOM 910 CA LYS A 63 -14.948 -0.814 1.413 1.00 0.00 C ATOM 911 C LYS A 63 -14.255 -1.717 2.430 1.00 0.00 C ATOM 912 O LYS A 63 -13.240 -2.350 2.123 1.00 0.00 O ATOM 913 CB LYS A 63 -16.288 -1.404 0.939 1.00 0.00 C ATOM 914 CG LYS A 63 -17.186 -0.284 0.399 1.00 0.00 C ATOM 915 CD LYS A 63 -18.426 -0.818 -0.320 1.00 0.00 C ATOM 916 CE LYS A 63 -19.525 0.254 -0.422 1.00 0.00 C ATOM 917 NZ LYS A 63 -19.148 1.389 -1.292 1.00 0.00 N ATOM 0 H LYS A 63 -13.642 -1.506 -0.038 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.155 0.140 1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.114 -2.149 0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.784 -1.914 1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -17.497 0.357 1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.612 0.337 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.151 -1.155 -1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.812 -1.686 0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -20.436 -0.204 -0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -19.753 0.629 0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.927 2.078 -1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.295 1.848 -0.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.957 1.041 -2.253 1.00 0.00 H new ATOM 931 N VAL A 64 -14.791 -1.759 3.647 1.00 0.00 N ATOM 932 CA VAL A 64 -14.231 -2.537 4.748 1.00 0.00 C ATOM 933 C VAL A 64 -14.312 -4.033 4.400 1.00 0.00 C ATOM 934 O VAL A 64 -15.194 -4.453 3.646 1.00 0.00 O ATOM 935 CB VAL A 64 -14.959 -2.144 6.057 1.00 0.00 C ATOM 936 CG1 VAL A 64 -14.557 -3.009 7.259 1.00 0.00 C ATOM 937 CG2 VAL A 64 -14.672 -0.673 6.413 1.00 0.00 C ATOM 0 H VAL A 64 -15.637 -1.247 3.899 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.174 -2.320 4.906 1.00 0.00 H new ATOM 0 HB VAL A 64 -16.020 -2.303 5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -15.104 -2.680 8.143 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.795 -4.052 7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.486 -2.910 7.437 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -15.191 -0.414 7.336 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.599 -0.534 6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -15.022 -0.029 5.606 1.00 0.00 H new ATOM 947 N GLY A 65 -13.404 -4.848 4.954 1.00 0.00 N ATOM 948 CA GLY A 65 -13.451 -6.299 4.791 1.00 0.00 C ATOM 949 C GLY A 65 -13.176 -6.728 3.350 1.00 0.00 C ATOM 950 O GLY A 65 -13.895 -7.535 2.760 1.00 0.00 O ATOM 0 H GLY A 65 -12.624 -4.519 5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.718 -6.761 5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.431 -6.666 5.097 1.00 0.00 H new ATOM 954 N ASP A 66 -12.174 -6.115 2.734 1.00 0.00 N ATOM 955 CA ASP A 66 -11.821 -6.261 1.325 1.00 0.00 C ATOM 956 C ASP A 66 -11.052 -7.532 0.978 1.00 0.00 C ATOM 957 O ASP A 66 -11.124 -7.996 -0.155 1.00 0.00 O ATOM 958 CB ASP A 66 -10.991 -5.056 0.883 1.00 0.00 C ATOM 959 CG ASP A 66 -9.639 -4.957 1.574 1.00 0.00 C ATOM 960 OD1 ASP A 66 -9.490 -5.450 2.728 1.00 0.00 O ATOM 961 OD2 ASP A 66 -8.806 -4.255 0.988 1.00 0.00 O ATOM 0 H ASP A 66 -11.554 -5.471 3.226 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.772 -6.326 0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.835 -5.109 -0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.557 -4.145 1.079 1.00 0.00 H new ATOM 966 N ARG A 67 -10.420 -8.135 1.975 1.00 0.00 N ATOM 967 CA ARG A 67 -9.336 -9.102 1.913 1.00 0.00 C ATOM 968 C ARG A 67 -8.256 -8.675 0.904 1.00 0.00 C ATOM 969 O ARG A 67 -8.332 -8.993 -0.286 1.00 0.00 O ATOM 970 CB ARG A 67 -9.910 -10.500 1.640 1.00 0.00 C ATOM 971 CG ARG A 67 -10.944 -10.967 2.684 1.00 0.00 C ATOM 972 CD ARG A 67 -10.931 -12.487 2.913 1.00 0.00 C ATOM 973 NE ARG A 67 -11.594 -13.284 1.864 1.00 0.00 N ATOM 974 CZ ARG A 67 -11.238 -14.509 1.437 1.00 0.00 C ATOM 975 NH1 ARG A 67 -10.134 -15.126 1.859 1.00 0.00 N ATOM 976 NH2 ARG A 67 -12.027 -15.139 0.583 1.00 0.00 N ATOM 0 H ARG A 67 -10.680 -7.939 2.942 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.828 -9.141 2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.376 -10.504 0.655 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.091 -11.218 1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.749 -10.462 3.630 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.940 -10.664 2.360 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.896 -12.817 2.998 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.413 -12.699 3.868 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.407 -12.862 1.415 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.520 -14.669 2.533 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.903 -16.055 1.508 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.887 -14.695 0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.776 -16.069 0.247 1.00 0.00 H new ATOM 990 N ILE A 68 -7.247 -7.935 1.377 1.00 0.00 N ATOM 991 CA ILE A 68 -6.127 -7.511 0.538 1.00 0.00 C ATOM 992 C ILE A 68 -5.308 -8.755 0.177 1.00 0.00 C ATOM 993 O ILE A 68 -5.198 -9.703 0.962 1.00 0.00 O ATOM 994 CB ILE A 68 -5.250 -6.416 1.211 1.00 0.00 C ATOM 995 CG1 ILE A 68 -6.089 -5.276 1.819 1.00 0.00 C ATOM 996 CG2 ILE A 68 -4.312 -5.765 0.169 1.00 0.00 C ATOM 997 CD1 ILE A 68 -5.332 -4.243 2.653 1.00 0.00 C ATOM 0 H ILE A 68 -7.186 -7.617 2.344 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.517 -7.044 -0.366 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.694 -6.923 2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.595 -4.754 1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.864 -5.719 2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.704 -5.001 0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.662 -6.527 -0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.908 -5.308 -0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.030 -3.494 3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.849 -4.739 3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.576 -3.759 2.034 1.00 0.00 H new ATOM 1009 N LEU A 69 -4.673 -8.721 -0.991 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.793 -9.730 -1.544 1.00 0.00 C ATOM 1011 C LEU A 69 -2.393 -9.138 -1.692 1.00 0.00 C ATOM 1012 O LEU A 69 -1.413 -9.734 -1.236 1.00 0.00 O ATOM 1013 CB LEU A 69 -4.443 -10.177 -2.862 1.00 0.00 C ATOM 1014 CG LEU A 69 -3.538 -10.518 -4.051 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -2.561 -11.667 -3.794 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -4.428 -10.921 -5.223 1.00 0.00 C ATOM 0 H LEU A 69 -4.772 -7.923 -1.619 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.667 -10.608 -0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.053 -11.055 -2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.123 -9.386 -3.180 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.938 -9.630 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.960 -11.841 -4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.907 -11.409 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.119 -12.571 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.806 -11.169 -6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.025 -11.789 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.089 -10.093 -5.479 1.00 0.00 H new ATOM 1028 N ALA A 70 -2.297 -7.969 -2.327 1.00 0.00 N ATOM 1029 CA ALA A 70 -1.034 -7.293 -2.616 1.00 0.00 C ATOM 1030 C ALA A 70 -1.213 -5.771 -2.695 1.00 0.00 C ATOM 1031 O ALA A 70 -2.337 -5.277 -2.791 1.00 0.00 O ATOM 1032 CB ALA A 70 -0.515 -7.825 -3.965 1.00 0.00 C ATOM 0 H ALA A 70 -3.113 -7.456 -2.661 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.325 -7.495 -1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.429 -7.338 -4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.361 -8.902 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.245 -7.612 -4.745 1.00 0.00 H new ATOM 1038 N VAL A 71 -0.096 -5.042 -2.748 1.00 0.00 N ATOM 1039 CA VAL A 71 -0.065 -3.582 -2.919 1.00 0.00 C ATOM 1040 C VAL A 71 0.880 -3.229 -4.060 1.00 0.00 C ATOM 1041 O VAL A 71 2.046 -3.606 -4.015 1.00 0.00 O ATOM 1042 CB VAL A 71 0.270 -2.881 -1.590 1.00 0.00 C ATOM 1043 CG1 VAL A 71 1.712 -3.071 -1.113 1.00 0.00 C ATOM 1044 CG2 VAL A 71 -0.032 -1.378 -1.666 1.00 0.00 C ATOM 0 H VAL A 71 0.833 -5.456 -2.672 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.052 -3.213 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.373 -3.368 -0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.856 -2.543 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.910 -4.133 -0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.398 -2.673 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.214 -0.909 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.565 -0.926 -2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.090 -1.230 -1.881 1.00 0.00 H new ATOM 1054 N ASN A 72 0.375 -2.591 -5.122 1.00 0.00 N ATOM 1055 CA ASN A 72 1.073 -2.373 -6.394 1.00 0.00 C ATOM 1056 C ASN A 72 1.899 -3.618 -6.777 1.00 0.00 C ATOM 1057 O ASN A 72 3.092 -3.534 -7.081 1.00 0.00 O ATOM 1058 CB ASN A 72 1.925 -1.094 -6.367 1.00 0.00 C ATOM 1059 CG ASN A 72 1.164 0.159 -5.969 1.00 0.00 C ATOM 1060 OD1 ASN A 72 0.383 0.712 -6.733 1.00 0.00 O ATOM 1061 ND2 ASN A 72 1.373 0.662 -4.767 1.00 0.00 N ATOM 0 H ASN A 72 -0.566 -2.198 -5.119 1.00 0.00 H new ATOM 0 HA ASN A 72 0.323 -2.222 -7.171 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.752 -1.238 -5.672 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.361 -0.941 -7.354 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.885 1.509 -4.477 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.023 0.204 -4.128 1.00 0.00 H new ATOM 1068 N GLY A 73 1.271 -4.795 -6.677 1.00 0.00 N ATOM 1069 CA GLY A 73 1.839 -6.098 -6.999 1.00 0.00 C ATOM 1070 C GLY A 73 2.815 -6.676 -5.972 1.00 0.00 C ATOM 1071 O GLY A 73 3.251 -7.814 -6.163 1.00 0.00 O ATOM 0 H GLY A 73 0.306 -4.862 -6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.021 -6.806 -7.132 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.353 -6.021 -7.957 1.00 0.00 H new ATOM 1075 N GLN A 74 3.168 -5.973 -4.891 1.00 0.00 N ATOM 1076 CA GLN A 74 4.106 -6.445 -3.896 1.00 0.00 C ATOM 1077 C GLN A 74 3.365 -7.362 -2.925 1.00 0.00 C ATOM 1078 O GLN A 74 2.209 -7.100 -2.575 1.00 0.00 O ATOM 1079 CB GLN A 74 4.731 -5.225 -3.201 1.00 0.00 C ATOM 1080 CG GLN A 74 5.735 -5.585 -2.111 1.00 0.00 C ATOM 1081 CD GLN A 74 6.932 -6.372 -2.638 1.00 0.00 C ATOM 1082 OE1 GLN A 74 6.810 -7.557 -2.953 1.00 0.00 O ATOM 1083 NE2 GLN A 74 8.086 -5.745 -2.780 1.00 0.00 N ATOM 0 H GLN A 74 2.797 -5.045 -4.689 1.00 0.00 H new ATOM 0 HA GLN A 74 4.915 -7.024 -4.341 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.227 -4.607 -3.949 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.936 -4.620 -2.764 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.090 -4.671 -1.635 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.233 -6.171 -1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.169 -4.764 -2.514 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.894 -6.242 -3.155 1.00 0.00 H new ATOM 1092 N SER A 75 4.024 -8.433 -2.489 1.00 0.00 N ATOM 1093 CA SER A 75 3.409 -9.489 -1.710 1.00 0.00 C ATOM 1094 C SER A 75 3.517 -9.180 -0.214 1.00 0.00 C ATOM 1095 O SER A 75 4.459 -9.566 0.478 1.00 0.00 O ATOM 1096 CB SER A 75 4.004 -10.849 -2.095 1.00 0.00 C ATOM 1097 OG SER A 75 5.410 -10.799 -2.288 1.00 0.00 O ATOM 0 H SER A 75 5.015 -8.588 -2.673 1.00 0.00 H new ATOM 0 HA SER A 75 2.344 -9.542 -1.937 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.774 -11.575 -1.315 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.528 -11.203 -3.010 1.00 0.00 H new ATOM 0 HG SER A 75 5.739 -11.690 -2.530 1.00 0.00 H new ATOM 1103 N ILE A 76 2.492 -8.497 0.285 1.00 0.00 N ATOM 1104 CA ILE A 76 2.345 -8.011 1.664 1.00 0.00 C ATOM 1105 C ILE A 76 2.231 -9.143 2.711 1.00 0.00 C ATOM 1106 O ILE A 76 2.138 -8.894 3.912 1.00 0.00 O ATOM 1107 CB ILE A 76 1.137 -7.047 1.715 1.00 0.00 C ATOM 1108 CG1 ILE A 76 -0.186 -7.817 1.488 1.00 0.00 C ATOM 1109 CG2 ILE A 76 1.297 -5.930 0.672 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -1.440 -6.958 1.381 1.00 0.00 C ATOM 0 H ILE A 76 1.689 -8.250 -0.293 1.00 0.00 H new ATOM 0 HA ILE A 76 3.256 -7.480 1.940 1.00 0.00 H new ATOM 0 HB ILE A 76 1.102 -6.593 2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.091 -8.404 0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.320 -8.522 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.438 -5.260 0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.208 -5.368 0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.359 -6.368 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.308 -7.599 1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.572 -6.390 2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.339 -6.270 0.542 1.00 0.00 H new ATOM 1122 N ILE A 77 2.213 -10.393 2.243 1.00 0.00 N ATOM 1123 CA ILE A 77 2.209 -11.617 3.028 1.00 0.00 C ATOM 1124 C ILE A 77 3.433 -11.643 3.943 1.00 0.00 C ATOM 1125 O ILE A 77 3.282 -11.797 5.155 1.00 0.00 O ATOM 1126 CB ILE A 77 2.199 -12.828 2.062 1.00 0.00 C ATOM 1127 CG1 ILE A 77 0.950 -12.836 1.154 1.00 0.00 C ATOM 1128 CG2 ILE A 77 2.372 -14.172 2.784 1.00 0.00 C ATOM 1129 CD1 ILE A 77 -0.376 -13.154 1.851 1.00 0.00 C ATOM 0 H ILE A 77 2.200 -10.583 1.241 1.00 0.00 H new ATOM 0 HA ILE A 77 1.320 -11.665 3.658 1.00 0.00 H new ATOM 0 HB ILE A 77 3.072 -12.703 1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.864 -11.859 0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.106 -13.566 0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.357 -14.982 2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.324 -14.180 3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.558 -14.310 3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.185 -13.133 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.321 -14.144 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.567 -12.412 2.626 1.00 0.00 H new ATOM 1141 N ASN A 78 4.627 -11.561 3.352 1.00 0.00 N ATOM 1142 CA ASN A 78 5.868 -11.950 4.015 1.00 0.00 C ATOM 1143 C ASN A 78 6.787 -10.757 4.254 1.00 0.00 C ATOM 1144 O ASN A 78 7.610 -10.792 5.169 1.00 0.00 O ATOM 1145 CB ASN A 78 6.565 -13.035 3.179 1.00 0.00 C ATOM 1146 CG ASN A 78 7.592 -13.818 3.980 1.00 0.00 C ATOM 1147 OD1 ASN A 78 8.756 -13.920 3.607 1.00 0.00 O ATOM 1148 ND2 ASN A 78 7.158 -14.467 5.045 1.00 0.00 N ATOM 0 H ASN A 78 4.758 -11.222 2.399 1.00 0.00 H new ATOM 0 HA ASN A 78 5.627 -12.351 4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.816 -13.722 2.785 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.054 -12.571 2.323 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.794 -15.065 5.572 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.187 -14.370 5.341 1.00 0.00 H new ATOM 1155 N MET A 79 6.615 -9.690 3.469 1.00 0.00 N ATOM 1156 CA MET A 79 7.164 -8.379 3.683 1.00 0.00 C ATOM 1157 C MET A 79 6.737 -7.865 5.065 1.00 0.00 C ATOM 1158 O MET A 79 5.602 -8.118 5.479 1.00 0.00 O ATOM 1159 CB MET A 79 6.584 -7.524 2.557 1.00 0.00 C ATOM 1160 CG MET A 79 7.370 -6.252 2.354 1.00 0.00 C ATOM 1161 SD MET A 79 6.660 -5.193 1.071 1.00 0.00 S ATOM 1162 CE MET A 79 8.047 -4.080 0.743 1.00 0.00 C ATOM 0 H MET A 79 6.052 -9.738 2.620 1.00 0.00 H new ATOM 0 HA MET A 79 8.254 -8.360 3.668 1.00 0.00 H new ATOM 0 HB2 MET A 79 6.578 -8.099 1.631 1.00 0.00 H new ATOM 0 HB3 MET A 79 5.547 -7.277 2.786 1.00 0.00 H new ATOM 0 HG2 MET A 79 7.411 -5.701 3.293 1.00 0.00 H new ATOM 0 HG3 MET A 79 8.397 -6.502 2.086 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.863 -3.118 1.222 1.00 0.00 H new ATOM 0 HE2 MET A 79 8.964 -4.514 1.141 1.00 0.00 H new ATOM 0 HE3 MET A 79 8.151 -3.935 -0.332 1.00 0.00 H new ATOM 1172 N PRO A 80 7.596 -7.152 5.807 1.00 0.00 N ATOM 1173 CA PRO A 80 7.230 -6.667 7.126 1.00 0.00 C ATOM 1174 C PRO A 80 6.283 -5.468 7.031 1.00 0.00 C ATOM 1175 O PRO A 80 6.324 -4.703 6.064 1.00 0.00 O ATOM 1176 CB PRO A 80 8.551 -6.339 7.821 1.00 0.00 C ATOM 1177 CG PRO A 80 9.511 -6.034 6.677 1.00 0.00 C ATOM 1178 CD PRO A 80 8.980 -6.850 5.498 1.00 0.00 C ATOM 0 HA PRO A 80 6.675 -7.408 7.701 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.447 -5.486 8.491 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.903 -7.177 8.423 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.527 -4.969 6.446 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.532 -6.321 6.929 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.057 -6.287 4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.558 -7.765 5.366 1.00 0.00 H new ATOM 1186 N HIS A 81 5.456 -5.275 8.061 1.00 0.00 N ATOM 1187 CA HIS A 81 4.356 -4.314 8.036 1.00 0.00 C ATOM 1188 C HIS A 81 4.845 -2.888 7.758 1.00 0.00 C ATOM 1189 O HIS A 81 4.221 -2.181 6.970 1.00 0.00 O ATOM 1190 CB HIS A 81 3.541 -4.406 9.332 1.00 0.00 C ATOM 1191 CG HIS A 81 2.195 -3.731 9.240 1.00 0.00 C ATOM 1192 ND1 HIS A 81 1.053 -4.286 8.710 1.00 0.00 N ATOM 1193 CD2 HIS A 81 1.872 -2.484 9.700 1.00 0.00 C ATOM 1194 CE1 HIS A 81 0.059 -3.397 8.858 1.00 0.00 C ATOM 1195 NE2 HIS A 81 0.511 -2.270 9.439 1.00 0.00 N ATOM 0 H HIS A 81 5.533 -5.786 8.941 1.00 0.00 H new ATOM 0 HA HIS A 81 3.698 -4.573 7.207 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.397 -5.456 9.588 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.111 -3.955 10.144 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.545 -1.788 10.179 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.964 -3.563 8.553 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.028 -1.430 9.647 1.00 0.00 H new ATOM 1203 N ALA A 82 5.967 -2.476 8.357 1.00 0.00 N ATOM 1204 CA ALA A 82 6.540 -1.150 8.145 1.00 0.00 C ATOM 1205 C ALA A 82 6.960 -0.923 6.697 1.00 0.00 C ATOM 1206 O ALA A 82 6.908 0.213 6.236 1.00 0.00 O ATOM 1207 CB ALA A 82 7.768 -0.962 9.041 1.00 0.00 C ATOM 0 H ALA A 82 6.502 -3.056 9.003 1.00 0.00 H new ATOM 0 HA ALA A 82 5.763 -0.427 8.394 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.190 0.030 8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.475 -1.063 10.086 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.514 -1.718 8.799 1.00 0.00 H new ATOM 1213 N ASP A 83 7.393 -1.966 5.989 1.00 0.00 N ATOM 1214 CA ASP A 83 7.839 -1.851 4.606 1.00 0.00 C ATOM 1215 C ASP A 83 6.615 -1.707 3.705 1.00 0.00 C ATOM 1216 O ASP A 83 6.603 -0.847 2.833 1.00 0.00 O ATOM 1217 CB ASP A 83 8.718 -3.044 4.194 1.00 0.00 C ATOM 1218 CG ASP A 83 10.187 -2.922 4.606 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.578 -1.924 5.250 1.00 0.00 O ATOM 1220 OD2 ASP A 83 10.981 -3.830 4.257 1.00 0.00 O ATOM 0 H ASP A 83 7.443 -2.914 6.361 1.00 0.00 H new ATOM 0 HA ASP A 83 8.464 -0.964 4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.305 -3.952 4.633 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.666 -3.161 3.112 1.00 0.00 H new ATOM 1225 N ILE A 84 5.549 -2.472 3.950 1.00 0.00 N ATOM 1226 CA ILE A 84 4.262 -2.355 3.257 1.00 0.00 C ATOM 1227 C ILE A 84 3.670 -0.945 3.490 1.00 0.00 C ATOM 1228 O ILE A 84 3.116 -0.325 2.583 1.00 0.00 O ATOM 1229 CB ILE A 84 3.331 -3.478 3.786 1.00 0.00 C ATOM 1230 CG1 ILE A 84 3.876 -4.888 3.472 1.00 0.00 C ATOM 1231 CG2 ILE A 84 1.905 -3.378 3.224 1.00 0.00 C ATOM 1232 CD1 ILE A 84 3.394 -5.947 4.461 1.00 0.00 C ATOM 0 H ILE A 84 5.556 -3.210 4.654 1.00 0.00 H new ATOM 0 HA ILE A 84 4.379 -2.476 2.180 1.00 0.00 H new ATOM 0 HB ILE A 84 3.302 -3.330 4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.571 -5.173 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.966 -4.861 3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.297 -4.188 3.627 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.468 -2.421 3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.936 -3.454 2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.810 -6.916 4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.721 -5.682 5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.306 -6.000 4.436 1.00 0.00 H new ATOM 1244 N VAL A 85 3.782 -0.403 4.700 1.00 0.00 N ATOM 1245 CA VAL A 85 3.348 0.950 5.041 1.00 0.00 C ATOM 1246 C VAL A 85 4.221 1.994 4.346 1.00 0.00 C ATOM 1247 O VAL A 85 3.719 3.037 3.912 1.00 0.00 O ATOM 1248 CB VAL A 85 3.321 1.045 6.571 1.00 0.00 C ATOM 1249 CG1 VAL A 85 3.301 2.464 7.140 1.00 0.00 C ATOM 1250 CG2 VAL A 85 2.111 0.270 7.108 1.00 0.00 C ATOM 0 H VAL A 85 4.187 -0.905 5.490 1.00 0.00 H new ATOM 0 HA VAL A 85 2.344 1.163 4.675 1.00 0.00 H new ATOM 0 HB VAL A 85 4.264 0.611 6.903 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.283 2.419 8.229 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.193 2.999 6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.413 2.987 6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.090 0.336 8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.195 0.698 6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.187 -0.776 6.810 1.00 0.00 H new ATOM 1260 N LYS A 86 5.517 1.731 4.196 1.00 0.00 N ATOM 1261 CA LYS A 86 6.386 2.571 3.385 1.00 0.00 C ATOM 1262 C LYS A 86 5.933 2.563 1.939 1.00 0.00 C ATOM 1263 O LYS A 86 5.738 3.629 1.378 1.00 0.00 O ATOM 1264 CB LYS A 86 7.847 2.118 3.525 1.00 0.00 C ATOM 1265 CG LYS A 86 8.750 3.288 3.928 1.00 0.00 C ATOM 1266 CD LYS A 86 9.976 2.792 4.690 1.00 0.00 C ATOM 1267 CE LYS A 86 9.612 2.425 6.135 1.00 0.00 C ATOM 1268 NZ LYS A 86 10.802 1.990 6.888 1.00 0.00 N ATOM 0 H LYS A 86 5.988 0.937 4.630 1.00 0.00 H new ATOM 0 HA LYS A 86 6.321 3.598 3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.916 1.327 4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.192 1.696 2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.066 3.832 3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.190 3.988 4.548 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.396 1.922 4.185 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.746 3.564 4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.160 3.285 6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.867 1.629 6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.527 1.748 7.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.218 1.155 6.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.501 2.759 6.907 1.00 0.00 H new ATOM 1282 N LEU A 87 5.683 1.396 1.355 1.00 0.00 N ATOM 1283 CA LEU A 87 5.307 1.189 -0.020 1.00 0.00 C ATOM 1284 C LEU A 87 4.058 1.986 -0.398 1.00 0.00 C ATOM 1285 O LEU A 87 3.976 2.471 -1.526 1.00 0.00 O ATOM 1286 CB LEU A 87 5.068 -0.321 -0.143 1.00 0.00 C ATOM 1287 CG LEU A 87 6.257 -1.244 -0.471 1.00 0.00 C ATOM 1288 CD1 LEU A 87 6.078 -1.866 -1.850 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.656 -0.624 -0.368 1.00 0.00 C ATOM 0 H LEU A 87 5.744 0.519 1.872 1.00 0.00 H new ATOM 0 HA LEU A 87 6.082 1.537 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.637 -0.663 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.312 -0.472 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 87 6.228 -1.995 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.925 -2.516 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.158 -2.450 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.022 -1.077 -2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.406 -1.373 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.733 0.216 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.825 -0.274 0.650 1.00 0.00 H new ATOM 1301 N ILE A 88 3.099 2.145 0.518 1.00 0.00 N ATOM 1302 CA ILE A 88 1.903 2.952 0.294 1.00 0.00 C ATOM 1303 C ILE A 88 2.307 4.425 0.244 1.00 0.00 C ATOM 1304 O ILE A 88 1.961 5.126 -0.703 1.00 0.00 O ATOM 1305 CB ILE A 88 0.883 2.664 1.413 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.327 1.232 1.246 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -0.277 3.676 1.433 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -0.406 0.686 2.474 1.00 0.00 C ATOM 0 H ILE A 88 3.134 1.713 1.441 1.00 0.00 H new ATOM 0 HA ILE A 88 1.430 2.701 -0.655 1.00 0.00 H new ATOM 0 HB ILE A 88 1.406 2.760 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.355 1.218 0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.152 0.562 1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.965 3.425 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.118 4.679 1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.807 3.641 0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.762 -0.323 2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.276 0.663 3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.255 1.329 2.707 1.00 0.00 H new ATOM 1320 N LYS A 89 3.029 4.908 1.260 1.00 0.00 N ATOM 1321 CA LYS A 89 3.519 6.286 1.303 1.00 0.00 C ATOM 1322 C LYS A 89 4.325 6.624 0.051 1.00 0.00 C ATOM 1323 O LYS A 89 4.138 7.682 -0.548 1.00 0.00 O ATOM 1324 CB LYS A 89 4.376 6.435 2.561 1.00 0.00 C ATOM 1325 CG LYS A 89 4.616 7.886 2.979 1.00 0.00 C ATOM 1326 CD LYS A 89 5.645 7.945 4.121 1.00 0.00 C ATOM 1327 CE LYS A 89 5.267 8.802 5.336 1.00 0.00 C ATOM 1328 NZ LYS A 89 4.181 8.216 6.154 1.00 0.00 N ATOM 0 H LYS A 89 3.289 4.353 2.075 1.00 0.00 H new ATOM 0 HA LYS A 89 2.679 6.980 1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.893 5.906 3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.338 5.952 2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.974 8.463 2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.678 8.340 3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.832 6.928 4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.584 8.322 3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.149 8.941 5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.961 9.790 4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 3.974 8.843 6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.327 8.108 5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.478 7.285 6.509 1.00 0.00 H new ATOM 1342 N ASP A 90 5.197 5.705 -0.347 1.00 0.00 N ATOM 1343 CA ASP A 90 6.099 5.813 -1.479 1.00 0.00 C ATOM 1344 C ASP A 90 5.335 5.709 -2.800 1.00 0.00 C ATOM 1345 O ASP A 90 5.865 6.127 -3.831 1.00 0.00 O ATOM 1346 CB ASP A 90 7.163 4.701 -1.404 1.00 0.00 C ATOM 1347 CG ASP A 90 8.159 4.861 -0.248 1.00 0.00 C ATOM 1348 OD1 ASP A 90 8.433 6.005 0.188 1.00 0.00 O ATOM 1349 OD2 ASP A 90 8.707 3.851 0.240 1.00 0.00 O ATOM 0 H ASP A 90 5.296 4.815 0.142 1.00 0.00 H new ATOM 0 HA ASP A 90 6.585 6.788 -1.439 1.00 0.00 H new ATOM 0 HB2 ASP A 90 6.660 3.739 -1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 90 7.715 4.678 -2.344 1.00 0.00 H new ATOM 1354 N ALA A 91 4.107 5.161 -2.814 1.00 0.00 N ATOM 1355 CA ALA A 91 3.251 5.233 -3.997 1.00 0.00 C ATOM 1356 C ALA A 91 2.858 6.699 -4.257 1.00 0.00 C ATOM 1357 O ALA A 91 2.819 7.161 -5.400 1.00 0.00 O ATOM 1358 CB ALA A 91 2.029 4.320 -3.826 1.00 0.00 C ATOM 0 H ALA A 91 3.693 4.668 -2.023 1.00 0.00 H new ATOM 0 HA ALA A 91 3.793 4.875 -4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.400 4.383 -4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.360 3.291 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.457 4.637 -2.954 1.00 0.00 H new ATOM 1364 N GLY A 92 2.663 7.467 -3.184 1.00 0.00 N ATOM 1365 CA GLY A 92 2.441 8.898 -3.219 1.00 0.00 C ATOM 1366 C GLY A 92 0.966 9.174 -3.425 1.00 0.00 C ATOM 1367 O GLY A 92 0.171 8.858 -2.548 1.00 0.00 O ATOM 0 H GLY A 92 2.657 7.088 -2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.781 9.353 -2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.022 9.348 -4.024 1.00 0.00 H new ATOM 1371 N LEU A 93 0.590 9.810 -4.533 1.00 0.00 N ATOM 1372 CA LEU A 93 -0.787 10.245 -4.766 1.00 0.00 C ATOM 1373 C LEU A 93 -1.614 9.052 -5.149 1.00 0.00 C ATOM 1374 O LEU A 93 -2.689 8.866 -4.595 1.00 0.00 O ATOM 1375 CB LEU A 93 -0.900 11.304 -5.876 1.00 0.00 C ATOM 1376 CG LEU A 93 -0.135 12.556 -5.471 1.00 0.00 C ATOM 1377 CD1 LEU A 93 0.150 13.483 -6.641 1.00 0.00 C ATOM 1378 CD2 LEU A 93 -0.832 13.387 -4.392 1.00 0.00 C ATOM 0 H LEU A 93 1.230 10.038 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.145 10.701 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.501 10.909 -6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.947 11.548 -6.054 1.00 0.00 H new ATOM 0 HG LEU A 93 0.797 12.156 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.697 14.357 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.748 12.957 -7.385 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.791 13.801 -7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.225 14.262 -4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.808 13.709 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.960 12.783 -3.494 1.00 0.00 H new ATOM 1390 N SER A 94 -1.123 8.275 -6.102 1.00 0.00 N ATOM 1391 CA SER A 94 -1.827 7.091 -6.560 1.00 0.00 C ATOM 1392 C SER A 94 -1.309 5.883 -5.781 1.00 0.00 C ATOM 1393 O SER A 94 -0.121 5.815 -5.471 1.00 0.00 O ATOM 1394 CB SER A 94 -1.615 6.878 -8.063 1.00 0.00 C ATOM 1395 OG SER A 94 -1.243 8.055 -8.771 1.00 0.00 O ATOM 0 H SER A 94 -0.235 8.446 -6.574 1.00 0.00 H new ATOM 0 HA SER A 94 -2.896 7.218 -6.388 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.843 6.122 -8.206 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.534 6.482 -8.496 1.00 0.00 H new ATOM 0 HG SER A 94 -1.124 7.842 -9.720 1.00 0.00 H new ATOM 1401 N VAL A 95 -2.169 4.911 -5.494 1.00 0.00 N ATOM 1402 CA VAL A 95 -1.798 3.601 -4.997 1.00 0.00 C ATOM 1403 C VAL A 95 -2.808 2.616 -5.579 1.00 0.00 C ATOM 1404 O VAL A 95 -4.000 2.925 -5.632 1.00 0.00 O ATOM 1405 CB VAL A 95 -1.773 3.629 -3.454 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -3.133 3.906 -2.792 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -1.212 2.327 -2.882 1.00 0.00 C ATOM 0 H VAL A 95 -3.177 5.023 -5.607 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.798 3.294 -5.303 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.122 4.470 -3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.017 3.907 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.505 4.877 -3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.843 3.131 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.208 2.380 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.834 1.491 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.194 2.181 -3.242 1.00 0.00 H new ATOM 1417 N THR A 96 -2.334 1.447 -5.997 1.00 0.00 N ATOM 1418 CA THR A 96 -3.130 0.351 -6.522 1.00 0.00 C ATOM 1419 C THR A 96 -3.181 -0.731 -5.439 1.00 0.00 C ATOM 1420 O THR A 96 -2.186 -1.410 -5.177 1.00 0.00 O ATOM 1421 CB THR A 96 -2.502 -0.147 -7.837 1.00 0.00 C ATOM 1422 OG1 THR A 96 -2.354 0.924 -8.753 1.00 0.00 O ATOM 1423 CG2 THR A 96 -3.354 -1.214 -8.520 1.00 0.00 C ATOM 0 H THR A 96 -1.337 1.231 -5.977 1.00 0.00 H new ATOM 0 HA THR A 96 -4.149 0.655 -6.759 1.00 0.00 H new ATOM 0 HB THR A 96 -1.536 -0.574 -7.568 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.952 0.592 -9.583 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.868 -1.532 -9.442 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.467 -2.070 -7.855 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.337 -0.802 -8.751 1.00 0.00 H new ATOM 1431 N LEU A 97 -4.321 -0.863 -4.767 1.00 0.00 N ATOM 1432 CA LEU A 97 -4.569 -1.931 -3.799 1.00 0.00 C ATOM 1433 C LEU A 97 -5.193 -3.096 -4.551 1.00 0.00 C ATOM 1434 O LEU A 97 -6.195 -2.918 -5.250 1.00 0.00 O ATOM 1435 CB LEU A 97 -5.516 -1.465 -2.683 1.00 0.00 C ATOM 1436 CG LEU A 97 -4.833 -0.515 -1.683 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -5.903 0.242 -0.892 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -3.924 -1.273 -0.700 1.00 0.00 C ATOM 0 H LEU A 97 -5.109 -0.225 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.630 -2.224 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.375 -0.962 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.897 -2.335 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.212 0.177 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.422 0.916 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.523 0.819 -1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.527 -0.469 -0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.462 -0.565 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.518 -1.992 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.147 -1.800 -1.255 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.607 -4.286 -4.404 1.00 0.00 N ATOM 1451 CA ARG A 98 -5.073 -5.488 -5.075 1.00 0.00 C ATOM 1452 C ARG A 98 -5.818 -6.337 -4.065 1.00 0.00 C ATOM 1453 O ARG A 98 -5.209 -6.855 -3.124 1.00 0.00 O ATOM 1454 CB ARG A 98 -3.888 -6.203 -5.721 1.00 0.00 C ATOM 1455 CG ARG A 98 -4.334 -7.373 -6.605 1.00 0.00 C ATOM 1456 CD ARG A 98 -3.161 -7.965 -7.399 1.00 0.00 C ATOM 1457 NE ARG A 98 -3.145 -7.531 -8.805 1.00 0.00 N ATOM 1458 CZ ARG A 98 -2.541 -6.469 -9.352 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -2.036 -5.507 -8.593 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -2.470 -6.382 -10.670 1.00 0.00 N ATOM 0 H ARG A 98 -3.791 -4.437 -3.811 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.766 -5.257 -5.884 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.319 -5.492 -6.321 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.219 -6.571 -4.943 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.781 -8.149 -5.983 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.106 -7.034 -7.295 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.224 -7.675 -6.924 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.215 -9.053 -7.360 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.667 -8.121 -9.453 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.105 -5.570 -7.577 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -1.579 -4.704 -9.025 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.872 -7.117 -11.252 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.013 -5.580 -11.104 1.00 0.00 H new ATOM 1474 N ILE A 99 -7.127 -6.451 -4.254 1.00 0.00 N ATOM 1475 CA ILE A 99 -8.067 -7.129 -3.367 1.00 0.00 C ATOM 1476 C ILE A 99 -8.768 -8.238 -4.164 1.00 0.00 C ATOM 1477 O ILE A 99 -8.533 -8.351 -5.374 1.00 0.00 O ATOM 1478 CB ILE A 99 -9.009 -6.082 -2.724 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -9.985 -5.423 -3.723 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -8.185 -4.948 -2.078 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -11.340 -6.133 -3.854 1.00 0.00 C ATOM 0 H ILE A 99 -7.586 -6.052 -5.073 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.572 -7.621 -2.530 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.592 -6.636 -1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.158 -4.392 -3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.511 -5.388 -4.704 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.859 -4.218 -1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.536 -5.364 -1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.577 -4.460 -2.840 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -11.961 -5.602 -4.576 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.183 -7.157 -4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.840 -6.145 -2.885 1.00 0.00 H new ATOM 1493 N ILE A 100 -9.597 -9.062 -3.514 1.00 0.00 N ATOM 1494 CA ILE A 100 -10.307 -10.169 -4.167 1.00 0.00 C ATOM 1495 C ILE A 100 -11.824 -9.931 -4.047 1.00 0.00 C ATOM 1496 O ILE A 100 -12.332 -9.783 -2.932 1.00 0.00 O ATOM 1497 CB ILE A 100 -9.842 -11.518 -3.588 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -8.406 -11.814 -4.089 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -10.768 -12.678 -3.999 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -7.574 -12.514 -3.011 1.00 0.00 C ATOM 0 H ILE A 100 -9.796 -8.980 -2.517 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.071 -10.207 -5.230 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.869 -11.441 -2.501 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.451 -12.440 -4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.920 -10.882 -4.378 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.399 -13.608 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.777 -12.484 -3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.784 -12.764 -5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.572 -12.708 -3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.509 -11.876 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.048 -13.458 -2.741 1.00 0.00 H new