USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 515 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 17 GLN : amide:sc= -4.01! C(o=-4!,f=-9.2!) USER MOD Set 1.2: A 77 LYS NZ :NH3+ -129:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 20 MET CE :methyl -169:sc=-0.00175 (180deg=-0.163) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -161:sc= -2.33! (180deg=-2.91!) USER MOD Single : A 50 MET CE :methyl -115:sc= -0.242 (180deg=-3.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0351 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.419) USER MOD Single : A 74 GLN : amide:sc= -0.0499 X(o=-0.05,f=-0.018) USER MOD Single : A 75 GLN : amide:sc= -0.0286 X(o=-0.029,f=-0.029) USER MOD Single : A 79 MET CE :methyl -127:sc= -4.35! (180deg=-5.53!) USER MOD ----------------------------------------------------------------- ATOM 131 N ASN A 14 4.671 9.745 11.185 1.00 0.00 N ATOM 132 CA ASN A 14 3.864 8.847 10.367 1.00 0.00 C ATOM 133 C ASN A 14 4.403 8.777 8.941 1.00 0.00 C ATOM 134 O ASN A 14 4.505 9.793 8.255 1.00 0.00 O ATOM 135 CB ASN A 14 2.406 9.311 10.350 1.00 0.00 C ATOM 136 CG ASN A 14 1.620 8.791 11.539 1.00 0.00 C ATOM 137 OD1 ASN A 14 2.166 8.612 12.627 1.00 0.00 O ATOM 138 ND2 ASN A 14 0.331 8.547 11.334 1.00 0.00 N ATOM 0 HA ASN A 14 3.917 7.851 10.806 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.374 10.401 10.345 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.931 8.974 9.429 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.249 8.196 12.096 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.079 8.710 10.414 1.00 0.00 H new ATOM 145 N ALA A 15 4.747 7.570 8.503 1.00 0.00 N ATOM 146 CA ALA A 15 5.273 7.367 7.159 1.00 0.00 C ATOM 147 C ALA A 15 4.149 7.095 6.165 1.00 0.00 C ATOM 148 O ALA A 15 3.174 6.416 6.486 1.00 0.00 O ATOM 149 CB ALA A 15 6.275 6.221 7.153 1.00 0.00 C ATOM 0 H ALA A 15 4.671 6.719 9.059 1.00 0.00 H new ATOM 0 HA ALA A 15 5.781 8.281 6.851 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.660 6.080 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.099 6.455 7.827 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.784 5.306 7.485 1.00 0.00 H new ATOM 155 N VAL A 16 4.293 7.630 4.956 1.00 0.00 N ATOM 156 CA VAL A 16 3.290 7.445 3.915 1.00 0.00 C ATOM 157 C VAL A 16 3.943 7.178 2.563 1.00 0.00 C ATOM 158 O VAL A 16 4.553 8.069 1.972 1.00 0.00 O ATOM 159 CB VAL A 16 2.371 8.675 3.795 1.00 0.00 C ATOM 160 CG1 VAL A 16 3.134 9.857 3.215 1.00 0.00 C ATOM 161 CG2 VAL A 16 1.152 8.349 2.946 1.00 0.00 C ATOM 0 H VAL A 16 5.094 8.195 4.674 1.00 0.00 H new ATOM 0 HA VAL A 16 2.692 6.581 4.203 1.00 0.00 H new ATOM 0 HB VAL A 16 2.028 8.949 4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.469 10.717 3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.972 10.104 3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.509 9.598 2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.514 9.230 2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.473 8.049 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.594 7.535 3.408 1.00 0.00 H new ATOM 171 N GLN A 17 3.811 5.947 2.081 1.00 0.00 N ATOM 172 CA GLN A 17 4.390 5.564 0.798 1.00 0.00 C ATOM 173 C GLN A 17 3.301 5.351 -0.248 1.00 0.00 C ATOM 174 O GLN A 17 2.439 4.487 -0.093 1.00 0.00 O ATOM 175 CB GLN A 17 5.223 4.290 0.951 1.00 0.00 C ATOM 176 CG GLN A 17 6.668 4.552 1.343 1.00 0.00 C ATOM 177 CD GLN A 17 7.447 3.275 1.588 1.00 0.00 C ATOM 178 OE1 GLN A 17 7.648 2.866 2.732 1.00 0.00 O ATOM 179 NE2 GLN A 17 7.891 2.636 0.511 1.00 0.00 N ATOM 0 H GLN A 17 3.309 5.198 2.558 1.00 0.00 H new ATOM 0 HA GLN A 17 5.037 6.375 0.463 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.761 3.652 1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.204 3.739 0.011 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.156 5.125 0.555 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.691 5.165 2.244 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.701 3.011 -0.419 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.421 1.771 0.614 1.00 0.00 H new ATOM 188 N GLU A 18 3.348 6.145 -1.314 1.00 0.00 N ATOM 189 CA GLU A 18 2.364 6.043 -2.385 1.00 0.00 C ATOM 190 C GLU A 18 2.912 5.225 -3.551 1.00 0.00 C ATOM 191 O GLU A 18 4.073 5.372 -3.934 1.00 0.00 O ATOM 192 CB GLU A 18 1.959 7.436 -2.871 1.00 0.00 C ATOM 193 CG GLU A 18 1.043 8.174 -1.909 1.00 0.00 C ATOM 194 CD GLU A 18 0.718 9.580 -2.375 1.00 0.00 C ATOM 195 OE1 GLU A 18 -0.182 9.727 -3.229 1.00 0.00 O ATOM 196 OE2 GLU A 18 1.362 10.531 -1.888 1.00 0.00 O ATOM 0 H GLU A 18 4.056 6.865 -1.458 1.00 0.00 H new ATOM 0 HA GLU A 18 1.485 5.535 -1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.858 8.031 -3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.460 7.344 -3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.117 7.611 -1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.515 8.221 -0.928 1.00 0.00 H new ATOM 203 N ILE A 19 2.068 4.364 -4.110 1.00 0.00 N ATOM 204 CA ILE A 19 2.467 3.523 -5.232 1.00 0.00 C ATOM 205 C ILE A 19 1.395 3.508 -6.316 1.00 0.00 C ATOM 206 O ILE A 19 0.272 3.961 -6.098 1.00 0.00 O ATOM 207 CB ILE A 19 2.746 2.077 -4.781 1.00 0.00 C ATOM 208 CG1 ILE A 19 1.911 1.735 -3.545 1.00 0.00 C ATOM 209 CG2 ILE A 19 4.228 1.888 -4.494 1.00 0.00 C ATOM 210 CD1 ILE A 19 2.545 2.179 -2.245 1.00 0.00 C ATOM 0 H ILE A 19 1.104 4.231 -3.804 1.00 0.00 H new ATOM 0 HA ILE A 19 3.384 3.951 -5.637 1.00 0.00 H new ATOM 0 HB ILE A 19 2.463 1.400 -5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.930 2.201 -3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.750 0.657 -3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.409 0.861 -4.176 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.803 2.095 -5.397 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.536 2.572 -3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.898 1.904 -1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.514 1.693 -2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.681 3.260 -2.257 1.00 0.00 H new ATOM 222 N MET A 20 1.749 2.981 -7.484 1.00 0.00 N ATOM 223 CA MET A 20 0.816 2.904 -8.601 1.00 0.00 C ATOM 224 C MET A 20 0.191 1.515 -8.693 1.00 0.00 C ATOM 225 O MET A 20 0.899 0.511 -8.778 1.00 0.00 O ATOM 226 CB MET A 20 1.528 3.243 -9.912 1.00 0.00 C ATOM 227 CG MET A 20 2.492 4.413 -9.796 1.00 0.00 C ATOM 228 SD MET A 20 1.700 5.905 -9.165 1.00 0.00 S ATOM 229 CE MET A 20 0.620 6.319 -10.533 1.00 0.00 C ATOM 0 H MET A 20 2.675 2.601 -7.681 1.00 0.00 H new ATOM 0 HA MET A 20 0.021 3.630 -8.429 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.075 2.365 -10.256 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.782 3.472 -10.673 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.315 4.137 -9.137 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.924 4.622 -10.775 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.209 7.317 -10.383 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.187 6.296 -11.464 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.194 5.596 -10.586 1.00 0.00 H new ATOM 239 N ILE A 21 -1.136 1.466 -8.674 1.00 0.00 N ATOM 240 CA ILE A 21 -1.855 0.201 -8.756 1.00 0.00 C ATOM 241 C ILE A 21 -2.824 0.194 -9.933 1.00 0.00 C ATOM 242 O ILE A 21 -3.722 1.030 -10.035 1.00 0.00 O ATOM 243 CB ILE A 21 -2.636 -0.088 -7.461 1.00 0.00 C ATOM 244 CG1 ILE A 21 -1.806 0.312 -6.239 1.00 0.00 C ATOM 245 CG2 ILE A 21 -3.020 -1.558 -7.390 1.00 0.00 C ATOM 246 CD1 ILE A 21 -0.475 -0.401 -6.154 1.00 0.00 C ATOM 0 H ILE A 21 -1.736 2.288 -8.603 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.106 -0.578 -8.900 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.550 0.505 -7.466 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.632 1.388 -6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.379 0.103 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.571 -1.746 -6.469 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.646 -1.812 -8.246 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.119 -2.171 -7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.059 -0.069 -5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.641 -1.477 -6.097 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.118 -0.172 -7.040 1.00 0.00 H new ATOM 258 N PRO A 22 -2.642 -0.774 -10.844 1.00 0.00 N ATOM 259 CA PRO A 22 -3.492 -0.915 -12.030 1.00 0.00 C ATOM 260 C PRO A 22 -4.903 -1.375 -11.680 1.00 0.00 C ATOM 261 O PRO A 22 -5.089 -2.426 -11.068 1.00 0.00 O ATOM 262 CB PRO A 22 -2.771 -1.982 -12.858 1.00 0.00 C ATOM 263 CG PRO A 22 -1.995 -2.774 -11.863 1.00 0.00 C ATOM 264 CD PRO A 22 -1.592 -1.804 -10.786 1.00 0.00 C ATOM 0 HA PRO A 22 -3.624 0.032 -12.553 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.480 -2.610 -13.398 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.115 -1.530 -13.602 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.598 -3.584 -11.453 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.120 -3.231 -12.325 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.553 -2.283 -9.808 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.605 -1.382 -10.974 1.00 0.00 H new ATOM 272 N ALA A 23 -5.894 -0.582 -12.074 1.00 0.00 N ATOM 273 CA ALA A 23 -7.288 -0.909 -11.804 1.00 0.00 C ATOM 274 C ALA A 23 -7.567 -2.384 -12.074 1.00 0.00 C ATOM 275 O ALA A 23 -8.353 -3.016 -11.367 1.00 0.00 O ATOM 276 CB ALA A 23 -8.208 -0.034 -12.643 1.00 0.00 C ATOM 0 H ALA A 23 -5.757 0.292 -12.582 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.483 -0.715 -10.749 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.246 -0.289 -12.431 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.035 1.014 -12.399 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.003 -0.199 -13.701 1.00 0.00 H new ATOM 282 N SER A 24 -6.920 -2.926 -13.100 1.00 0.00 N ATOM 283 CA SER A 24 -7.103 -4.326 -13.466 1.00 0.00 C ATOM 284 C SER A 24 -6.795 -5.241 -12.284 1.00 0.00 C ATOM 285 O SER A 24 -7.540 -6.179 -11.999 1.00 0.00 O ATOM 286 CB SER A 24 -6.205 -4.687 -14.651 1.00 0.00 C ATOM 287 OG SER A 24 -6.831 -4.365 -15.881 1.00 0.00 O ATOM 0 H SER A 24 -6.264 -2.417 -13.693 1.00 0.00 H new ATOM 0 HA SER A 24 -8.145 -4.468 -13.752 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.258 -4.153 -14.570 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.973 -5.752 -14.625 1.00 0.00 H new ATOM 0 HG SER A 24 -6.237 -4.603 -16.623 1.00 0.00 H new ATOM 293 N LYS A 25 -5.692 -4.961 -11.599 1.00 0.00 N ATOM 294 CA LYS A 25 -5.284 -5.755 -10.446 1.00 0.00 C ATOM 295 C LYS A 25 -5.844 -5.168 -9.155 1.00 0.00 C ATOM 296 O LYS A 25 -5.880 -5.837 -8.122 1.00 0.00 O ATOM 297 CB LYS A 25 -3.758 -5.829 -10.366 1.00 0.00 C ATOM 298 CG LYS A 25 -3.103 -6.294 -11.655 1.00 0.00 C ATOM 299 CD LYS A 25 -3.072 -7.811 -11.749 1.00 0.00 C ATOM 300 CE LYS A 25 -2.755 -8.275 -13.162 1.00 0.00 C ATOM 301 NZ LYS A 25 -2.580 -9.752 -13.235 1.00 0.00 N ATOM 0 H LYS A 25 -5.064 -4.189 -11.822 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.684 -6.761 -10.570 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.368 -4.845 -10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.477 -6.507 -9.560 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.646 -5.887 -12.508 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.086 -5.904 -11.709 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.325 -8.204 -11.060 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.036 -8.216 -11.440 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.559 -7.971 -13.833 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.846 -7.784 -13.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.365 -10.028 -14.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.797 -10.040 -12.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.456 -10.221 -12.927 1.00 0.00 H new ATOM 315 N ALA A 26 -6.280 -3.915 -9.220 1.00 0.00 N ATOM 316 CA ALA A 26 -6.842 -3.239 -8.057 1.00 0.00 C ATOM 317 C ALA A 26 -8.048 -3.995 -7.512 1.00 0.00 C ATOM 318 O ALA A 26 -8.159 -4.223 -6.308 1.00 0.00 O ATOM 319 CB ALA A 26 -7.228 -1.811 -8.411 1.00 0.00 C ATOM 0 H ALA A 26 -6.255 -3.347 -10.067 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.079 -3.215 -7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.646 -1.319 -7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.344 -1.267 -8.745 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.971 -1.822 -9.209 1.00 0.00 H new ATOM 325 N GLY A 27 -8.952 -4.382 -8.407 1.00 0.00 N ATOM 326 CA GLY A 27 -10.140 -5.108 -7.996 1.00 0.00 C ATOM 327 C GLY A 27 -9.811 -6.437 -7.345 1.00 0.00 C ATOM 328 O GLY A 27 -10.672 -7.065 -6.728 1.00 0.00 O ATOM 0 H GLY A 27 -8.883 -4.206 -9.409 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.712 -4.497 -7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.776 -5.280 -8.865 1.00 0.00 H new ATOM 332 N LEU A 28 -8.562 -6.869 -7.485 1.00 0.00 N ATOM 333 CA LEU A 28 -8.121 -8.134 -6.907 1.00 0.00 C ATOM 334 C LEU A 28 -7.522 -7.920 -5.521 1.00 0.00 C ATOM 335 O LEU A 28 -7.786 -8.685 -4.594 1.00 0.00 O ATOM 336 CB LEU A 28 -7.094 -8.804 -7.821 1.00 0.00 C ATOM 337 CG LEU A 28 -7.647 -9.457 -9.088 1.00 0.00 C ATOM 338 CD1 LEU A 28 -7.691 -8.454 -10.230 1.00 0.00 C ATOM 339 CD2 LEU A 28 -6.812 -10.669 -9.472 1.00 0.00 C ATOM 0 H LEU A 28 -7.837 -6.362 -7.993 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.991 -8.784 -6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.356 -8.057 -8.114 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.566 -9.564 -7.245 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.665 -9.792 -8.886 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.087 -8.937 -11.123 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.333 -7.617 -9.955 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.684 -8.088 -10.432 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.221 -11.121 -10.376 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.783 -10.359 -9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.833 -11.397 -8.661 1.00 0.00 H new ATOM 351 N VAL A 29 -6.716 -6.872 -5.385 1.00 0.00 N ATOM 352 CA VAL A 29 -6.082 -6.554 -4.111 1.00 0.00 C ATOM 353 C VAL A 29 -7.057 -5.855 -3.172 1.00 0.00 C ATOM 354 O VAL A 29 -6.920 -5.930 -1.950 1.00 0.00 O ATOM 355 CB VAL A 29 -4.844 -5.659 -4.308 1.00 0.00 C ATOM 356 CG1 VAL A 29 -5.184 -4.461 -5.181 1.00 0.00 C ATOM 357 CG2 VAL A 29 -4.293 -5.210 -2.963 1.00 0.00 C ATOM 0 H VAL A 29 -6.486 -6.228 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.770 -7.500 -3.668 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.074 -6.240 -4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.297 -3.841 -5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.528 -4.807 -6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.971 -3.876 -4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.419 -4.579 -3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.056 -4.646 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.009 -6.084 -2.376 1.00 0.00 H new ATOM 367 N ILE A 30 -8.042 -5.174 -3.749 1.00 0.00 N ATOM 368 CA ILE A 30 -9.041 -4.462 -2.963 1.00 0.00 C ATOM 369 C ILE A 30 -10.222 -5.366 -2.627 1.00 0.00 C ATOM 370 O ILE A 30 -10.685 -5.403 -1.487 1.00 0.00 O ATOM 371 CB ILE A 30 -9.558 -3.216 -3.705 1.00 0.00 C ATOM 372 CG1 ILE A 30 -8.397 -2.278 -4.042 1.00 0.00 C ATOM 373 CG2 ILE A 30 -10.602 -2.494 -2.865 1.00 0.00 C ATOM 374 CD1 ILE A 30 -8.830 -1.003 -4.731 1.00 0.00 C ATOM 0 H ILE A 30 -8.169 -5.101 -4.758 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.552 -4.149 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.026 -3.534 -4.637 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.868 -2.023 -3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.689 -2.805 -4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.958 -1.615 -3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.439 -3.164 -2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.157 -2.185 -1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.955 -0.387 -4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.333 -1.248 -5.667 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.514 -0.454 -4.084 1.00 0.00 H new ATOM 386 N GLY A 31 -10.705 -6.097 -3.627 1.00 0.00 N ATOM 387 CA GLY A 31 -11.827 -6.993 -3.417 1.00 0.00 C ATOM 388 C GLY A 31 -13.146 -6.379 -3.842 1.00 0.00 C ATOM 389 O GLY A 31 -13.173 -5.348 -4.514 1.00 0.00 O ATOM 0 H GLY A 31 -10.339 -6.085 -4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.662 -7.914 -3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.879 -7.264 -2.363 1.00 0.00 H new ATOM 393 N LYS A 32 -14.246 -7.014 -3.450 1.00 0.00 N ATOM 394 CA LYS A 32 -15.576 -6.525 -3.794 1.00 0.00 C ATOM 395 C LYS A 32 -15.776 -5.098 -3.296 1.00 0.00 C ATOM 396 O LYS A 32 -16.110 -4.201 -4.070 1.00 0.00 O ATOM 397 CB LYS A 32 -16.648 -7.440 -3.197 1.00 0.00 C ATOM 398 CG LYS A 32 -16.588 -8.866 -3.716 1.00 0.00 C ATOM 399 CD LYS A 32 -17.693 -9.723 -3.119 1.00 0.00 C ATOM 400 CE LYS A 32 -18.956 -9.671 -3.964 1.00 0.00 C ATOM 401 NZ LYS A 32 -18.872 -10.575 -5.144 1.00 0.00 N ATOM 0 H LYS A 32 -14.242 -7.869 -2.894 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.668 -6.528 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -16.540 -7.452 -2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.632 -7.024 -3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.675 -8.863 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -15.618 -9.301 -3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -17.351 -10.755 -3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -17.915 -9.380 -2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -19.814 -9.951 -3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -19.125 -8.648 -4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -19.752 -10.510 -5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -18.069 -10.292 -5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -18.736 -11.554 -4.822 1.00 0.00 H new ATOM 415 N GLY A 33 -15.569 -4.893 -1.999 1.00 0.00 N ATOM 416 CA GLY A 33 -15.730 -3.571 -1.421 1.00 0.00 C ATOM 417 C GLY A 33 -14.645 -3.242 -0.416 1.00 0.00 C ATOM 418 O GLY A 33 -14.920 -2.678 0.643 1.00 0.00 O ATOM 0 H GLY A 33 -15.293 -5.619 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.722 -2.826 -2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.703 -3.507 -0.934 1.00 0.00 H new ATOM 422 N GLY A 34 -13.406 -3.595 -0.746 1.00 0.00 N ATOM 423 CA GLY A 34 -12.295 -3.327 0.148 1.00 0.00 C ATOM 424 C GLY A 34 -12.210 -4.328 1.283 1.00 0.00 C ATOM 425 O GLY A 34 -12.051 -3.947 2.443 1.00 0.00 O ATOM 0 H GLY A 34 -13.152 -4.062 -1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.364 -3.345 -0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.398 -2.323 0.560 1.00 0.00 H new ATOM 429 N GLU A 35 -12.318 -5.610 0.950 1.00 0.00 N ATOM 430 CA GLU A 35 -12.255 -6.667 1.952 1.00 0.00 C ATOM 431 C GLU A 35 -10.830 -7.193 2.099 1.00 0.00 C ATOM 432 O GLU A 35 -10.314 -7.323 3.209 1.00 0.00 O ATOM 433 CB GLU A 35 -13.197 -7.813 1.577 1.00 0.00 C ATOM 434 CG GLU A 35 -14.637 -7.580 2.003 1.00 0.00 C ATOM 435 CD GLU A 35 -15.568 -8.685 1.541 1.00 0.00 C ATOM 436 OE1 GLU A 35 -15.657 -9.717 2.239 1.00 0.00 O ATOM 437 OE2 GLU A 35 -16.207 -8.518 0.481 1.00 0.00 O ATOM 0 H GLU A 35 -12.449 -5.942 -0.006 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.569 -6.246 2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.165 -7.960 0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.836 -8.734 2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.683 -7.502 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.982 -6.628 1.600 1.00 0.00 H new ATOM 444 N THR A 36 -10.198 -7.496 0.969 1.00 0.00 N ATOM 445 CA THR A 36 -8.834 -8.010 0.970 1.00 0.00 C ATOM 446 C THR A 36 -7.859 -6.980 1.529 1.00 0.00 C ATOM 447 O THR A 36 -7.272 -7.181 2.593 1.00 0.00 O ATOM 448 CB THR A 36 -8.383 -8.410 -0.448 1.00 0.00 C ATOM 449 OG1 THR A 36 -9.123 -9.552 -0.893 1.00 0.00 O ATOM 450 CG2 THR A 36 -6.895 -8.722 -0.474 1.00 0.00 C ATOM 0 H THR A 36 -10.609 -7.394 0.041 1.00 0.00 H new ATOM 0 HA THR A 36 -8.830 -8.894 1.608 1.00 0.00 H new ATOM 0 HB THR A 36 -8.574 -7.571 -1.117 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.832 -9.799 -1.796 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.600 -9.002 -1.485 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.333 -7.841 -0.162 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.684 -9.547 0.207 1.00 0.00 H new ATOM 458 N ILE A 37 -7.692 -5.878 0.807 1.00 0.00 N ATOM 459 CA ILE A 37 -6.789 -4.816 1.233 1.00 0.00 C ATOM 460 C ILE A 37 -6.981 -4.491 2.711 1.00 0.00 C ATOM 461 O ILE A 37 -6.050 -4.054 3.388 1.00 0.00 O ATOM 462 CB ILE A 37 -6.998 -3.533 0.406 1.00 0.00 C ATOM 463 CG1 ILE A 37 -6.195 -2.377 1.006 1.00 0.00 C ATOM 464 CG2 ILE A 37 -8.476 -3.180 0.340 1.00 0.00 C ATOM 465 CD1 ILE A 37 -6.357 -1.075 0.253 1.00 0.00 C ATOM 0 H ILE A 37 -8.170 -5.697 -0.076 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.775 -5.181 1.072 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.641 -3.710 -0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.503 -2.230 2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.140 -2.649 1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.607 -2.271 -0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.025 -3.997 -0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.857 -3.018 1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.760 -0.300 0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.022 -1.206 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.406 -0.780 0.258 1.00 0.00 H new ATOM 477 N LYS A 38 -8.194 -4.709 3.206 1.00 0.00 N ATOM 478 CA LYS A 38 -8.509 -4.443 4.605 1.00 0.00 C ATOM 479 C LYS A 38 -7.676 -5.327 5.528 1.00 0.00 C ATOM 480 O LYS A 38 -7.203 -4.877 6.571 1.00 0.00 O ATOM 481 CB LYS A 38 -9.999 -4.676 4.866 1.00 0.00 C ATOM 482 CG LYS A 38 -10.511 -3.990 6.121 1.00 0.00 C ATOM 483 CD LYS A 38 -12.027 -4.039 6.204 1.00 0.00 C ATOM 484 CE LYS A 38 -12.583 -2.843 6.962 1.00 0.00 C ATOM 485 NZ LYS A 38 -12.806 -1.674 6.067 1.00 0.00 N ATOM 0 H LYS A 38 -8.976 -5.069 2.659 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.268 -3.401 4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.570 -4.319 4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.182 -5.747 4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.082 -4.470 7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.179 -2.952 6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.447 -4.061 5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.336 -4.960 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.523 -3.120 7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.892 -2.564 7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.185 -0.880 6.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.904 -1.393 5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.485 -1.932 5.322 1.00 0.00 H new ATOM 499 N GLN A 39 -7.499 -6.584 5.135 1.00 0.00 N ATOM 500 CA GLN A 39 -6.722 -7.530 5.928 1.00 0.00 C ATOM 501 C GLN A 39 -5.231 -7.223 5.833 1.00 0.00 C ATOM 502 O GLN A 39 -4.491 -7.382 6.805 1.00 0.00 O ATOM 503 CB GLN A 39 -6.991 -8.961 5.461 1.00 0.00 C ATOM 504 CG GLN A 39 -8.256 -9.566 6.049 1.00 0.00 C ATOM 505 CD GLN A 39 -8.029 -10.176 7.418 1.00 0.00 C ATOM 506 OE1 GLN A 39 -7.751 -9.469 8.387 1.00 0.00 O ATOM 507 NE2 GLN A 39 -8.147 -11.496 7.505 1.00 0.00 N ATOM 0 H GLN A 39 -7.883 -6.971 4.273 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.029 -7.432 6.969 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.065 -8.971 4.374 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.140 -9.588 5.729 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.023 -8.795 6.122 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.636 -10.332 5.373 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.379 -12.043 6.676 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.006 -11.963 8.401 1.00 0.00 H new ATOM 516 N LEU A 40 -4.796 -6.783 4.658 1.00 0.00 N ATOM 517 CA LEU A 40 -3.393 -6.453 4.436 1.00 0.00 C ATOM 518 C LEU A 40 -2.936 -5.349 5.383 1.00 0.00 C ATOM 519 O LEU A 40 -1.742 -5.078 5.506 1.00 0.00 O ATOM 520 CB LEU A 40 -3.174 -6.019 2.985 1.00 0.00 C ATOM 521 CG LEU A 40 -3.224 -7.131 1.937 1.00 0.00 C ATOM 522 CD1 LEU A 40 -3.219 -6.543 0.534 1.00 0.00 C ATOM 523 CD2 LEU A 40 -2.057 -8.090 2.120 1.00 0.00 C ATOM 0 H LEU A 40 -5.395 -6.646 3.844 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.800 -7.345 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.929 -5.274 2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.204 -5.526 2.917 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.151 -7.689 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.255 -7.349 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.088 -5.898 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.310 -5.960 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.109 -8.875 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.119 -7.546 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.106 -8.537 3.113 1.00 0.00 H new ATOM 535 N GLN A 41 -3.895 -4.716 6.053 1.00 0.00 N ATOM 536 CA GLN A 41 -3.590 -3.643 6.991 1.00 0.00 C ATOM 537 C GLN A 41 -3.024 -4.201 8.292 1.00 0.00 C ATOM 538 O GLN A 41 -2.265 -3.528 8.989 1.00 0.00 O ATOM 539 CB GLN A 41 -4.845 -2.817 7.279 1.00 0.00 C ATOM 540 CG GLN A 41 -5.231 -1.882 6.144 1.00 0.00 C ATOM 541 CD GLN A 41 -6.454 -1.046 6.468 1.00 0.00 C ATOM 542 OE1 GLN A 41 -6.756 -0.793 7.635 1.00 0.00 O ATOM 543 NE2 GLN A 41 -7.164 -0.610 5.434 1.00 0.00 N ATOM 0 H GLN A 41 -4.889 -4.928 5.963 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.837 -3.000 6.536 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.676 -3.493 7.481 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.684 -2.230 8.183 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.393 -1.222 5.921 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.423 -2.468 5.245 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.877 -0.844 4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.996 -0.041 5.590 1.00 0.00 H new ATOM 552 N GLU A 42 -3.400 -5.435 8.614 1.00 0.00 N ATOM 553 CA GLU A 42 -2.931 -6.082 9.833 1.00 0.00 C ATOM 554 C GLU A 42 -1.661 -6.886 9.568 1.00 0.00 C ATOM 555 O GLU A 42 -0.700 -6.819 10.335 1.00 0.00 O ATOM 556 CB GLU A 42 -4.017 -6.998 10.402 1.00 0.00 C ATOM 557 CG GLU A 42 -5.332 -6.286 10.675 1.00 0.00 C ATOM 558 CD GLU A 42 -6.279 -7.115 11.521 1.00 0.00 C ATOM 559 OE1 GLU A 42 -6.377 -8.336 11.276 1.00 0.00 O ATOM 560 OE2 GLU A 42 -6.922 -6.543 12.426 1.00 0.00 O ATOM 0 H GLU A 42 -4.028 -6.006 8.048 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.703 -5.304 10.562 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.194 -7.815 9.703 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.656 -7.444 11.329 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.131 -5.341 11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.814 -6.045 9.728 1.00 0.00 H new ATOM 567 N ARG A 43 -1.665 -7.645 8.478 1.00 0.00 N ATOM 568 CA ARG A 43 -0.514 -8.463 8.112 1.00 0.00 C ATOM 569 C ARG A 43 0.734 -7.602 7.947 1.00 0.00 C ATOM 570 O ARG A 43 1.852 -8.061 8.178 1.00 0.00 O ATOM 571 CB ARG A 43 -0.796 -9.226 6.817 1.00 0.00 C ATOM 572 CG ARG A 43 -1.451 -10.580 7.037 1.00 0.00 C ATOM 573 CD ARG A 43 -1.081 -11.564 5.939 1.00 0.00 C ATOM 574 NE ARG A 43 -1.481 -12.929 6.269 1.00 0.00 N ATOM 575 CZ ARG A 43 -1.068 -13.999 5.599 1.00 0.00 C ATOM 576 NH1 ARG A 43 -0.247 -13.862 4.567 1.00 0.00 N ATOM 577 NH2 ARG A 43 -1.477 -15.208 5.960 1.00 0.00 N ATOM 0 H ARG A 43 -2.452 -7.711 7.832 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.337 -9.178 8.916 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.441 -8.619 6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.141 -9.368 6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.145 -10.980 8.004 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.534 -10.460 7.070 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.558 -11.262 5.006 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.004 -11.532 5.772 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.113 -13.069 7.058 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.069 -12.934 4.286 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.069 -14.685 4.054 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.109 -15.317 6.753 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.159 -16.029 5.445 1.00 0.00 H new ATOM 591 N ALA A 44 0.535 -6.351 7.544 1.00 0.00 N ATOM 592 CA ALA A 44 1.644 -5.425 7.349 1.00 0.00 C ATOM 593 C ALA A 44 1.715 -4.407 8.483 1.00 0.00 C ATOM 594 O ALA A 44 2.719 -3.715 8.646 1.00 0.00 O ATOM 595 CB ALA A 44 1.511 -4.717 6.009 1.00 0.00 C ATOM 0 H ALA A 44 -0.384 -5.956 7.346 1.00 0.00 H new ATOM 0 HA ALA A 44 2.570 -6.000 7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.346 -4.029 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.518 -5.454 5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.574 -4.160 5.983 1.00 0.00 H new ATOM 601 N GLY A 45 0.642 -4.321 9.263 1.00 0.00 N ATOM 602 CA GLY A 45 0.604 -3.384 10.371 1.00 0.00 C ATOM 603 C GLY A 45 0.618 -1.940 9.909 1.00 0.00 C ATOM 604 O GLY A 45 1.457 -1.150 10.343 1.00 0.00 O ATOM 0 H GLY A 45 -0.201 -4.883 9.148 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.292 -3.564 10.964 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.459 -3.562 11.023 1.00 0.00 H new ATOM 608 N VAL A 46 -0.312 -1.593 9.025 1.00 0.00 N ATOM 609 CA VAL A 46 -0.403 -0.235 8.504 1.00 0.00 C ATOM 610 C VAL A 46 -1.789 0.043 7.933 1.00 0.00 C ATOM 611 O VAL A 46 -2.628 -0.854 7.844 1.00 0.00 O ATOM 612 CB VAL A 46 0.651 0.018 7.410 1.00 0.00 C ATOM 613 CG1 VAL A 46 2.043 0.099 8.018 1.00 0.00 C ATOM 614 CG2 VAL A 46 0.587 -1.068 6.347 1.00 0.00 C ATOM 0 H VAL A 46 -1.013 -2.234 8.655 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.216 0.438 9.341 1.00 0.00 H new ATOM 0 HB VAL A 46 0.432 0.974 6.934 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.774 0.278 7.230 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.078 0.916 8.738 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.275 -0.839 8.522 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.339 -0.873 5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.779 -2.038 6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.403 -1.072 5.890 1.00 0.00 H new ATOM 624 N LYS A 47 -2.023 1.292 7.546 1.00 0.00 N ATOM 625 CA LYS A 47 -3.307 1.691 6.981 1.00 0.00 C ATOM 626 C LYS A 47 -3.198 1.897 5.474 1.00 0.00 C ATOM 627 O LYS A 47 -2.408 2.717 5.006 1.00 0.00 O ATOM 628 CB LYS A 47 -3.805 2.975 7.648 1.00 0.00 C ATOM 629 CG LYS A 47 -5.319 3.076 7.719 1.00 0.00 C ATOM 630 CD LYS A 47 -5.769 4.497 8.015 1.00 0.00 C ATOM 631 CE LYS A 47 -5.829 5.338 6.749 1.00 0.00 C ATOM 632 NZ LYS A 47 -5.899 6.794 7.053 1.00 0.00 N ATOM 0 H LYS A 47 -1.340 2.046 7.613 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.023 0.891 7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.398 3.032 8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.417 3.833 7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.751 2.746 6.775 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.694 2.406 8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.751 4.478 8.487 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.082 4.956 8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.950 5.137 6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.700 5.048 6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.938 7.333 6.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.752 6.991 7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.056 7.077 7.592 1.00 0.00 H new ATOM 646 N MET A 48 -3.997 1.150 4.719 1.00 0.00 N ATOM 647 CA MET A 48 -3.990 1.254 3.264 1.00 0.00 C ATOM 648 C MET A 48 -5.213 2.020 2.769 1.00 0.00 C ATOM 649 O MET A 48 -6.351 1.635 3.041 1.00 0.00 O ATOM 650 CB MET A 48 -3.956 -0.139 2.632 1.00 0.00 C ATOM 651 CG MET A 48 -2.592 -0.806 2.705 1.00 0.00 C ATOM 652 SD MET A 48 -2.591 -2.464 1.998 1.00 0.00 S ATOM 653 CE MET A 48 -1.105 -3.144 2.731 1.00 0.00 C ATOM 0 H MET A 48 -4.657 0.467 5.090 1.00 0.00 H new ATOM 0 HA MET A 48 -3.095 1.801 2.967 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.689 -0.773 3.131 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.259 -0.063 1.588 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.862 -0.190 2.179 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.273 -0.859 3.746 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.779 -4.010 2.155 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.319 -2.389 2.727 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.312 -3.447 3.757 1.00 0.00 H new ATOM 663 N VAL A 49 -4.971 3.105 2.041 1.00 0.00 N ATOM 664 CA VAL A 49 -6.052 3.925 1.507 1.00 0.00 C ATOM 665 C VAL A 49 -5.815 4.259 0.039 1.00 0.00 C ATOM 666 O VAL A 49 -4.896 5.005 -0.297 1.00 0.00 O ATOM 667 CB VAL A 49 -6.209 5.235 2.302 1.00 0.00 C ATOM 668 CG1 VAL A 49 -7.238 6.140 1.642 1.00 0.00 C ATOM 669 CG2 VAL A 49 -6.593 4.940 3.744 1.00 0.00 C ATOM 0 H VAL A 49 -4.035 3.437 1.807 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.968 3.341 1.600 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.251 5.755 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.335 7.060 2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.916 6.378 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.201 5.631 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.700 5.877 4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.538 4.398 3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.817 4.334 4.211 1.00 0.00 H new ATOM 679 N MET A 50 -6.651 3.702 -0.832 1.00 0.00 N ATOM 680 CA MET A 50 -6.532 3.943 -2.265 1.00 0.00 C ATOM 681 C MET A 50 -6.985 5.356 -2.618 1.00 0.00 C ATOM 682 O MET A 50 -8.082 5.776 -2.250 1.00 0.00 O ATOM 683 CB MET A 50 -7.360 2.920 -3.046 1.00 0.00 C ATOM 684 CG MET A 50 -6.733 1.536 -3.088 1.00 0.00 C ATOM 685 SD MET A 50 -5.621 1.320 -4.491 1.00 0.00 S ATOM 686 CE MET A 50 -5.271 -0.433 -4.379 1.00 0.00 C ATOM 0 H MET A 50 -7.417 3.081 -0.570 1.00 0.00 H new ATOM 0 HA MET A 50 -5.483 3.837 -2.540 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.351 2.848 -2.597 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.498 3.279 -4.066 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.183 1.362 -2.163 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.522 0.785 -3.135 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.214 -0.579 -4.155 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.874 -0.875 -3.586 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.511 -0.913 -5.328 1.00 0.00 H new ATOM 696 N ILE A 51 -6.133 6.084 -3.332 1.00 0.00 N ATOM 697 CA ILE A 51 -6.447 7.449 -3.735 1.00 0.00 C ATOM 698 C ILE A 51 -7.055 7.485 -5.133 1.00 0.00 C ATOM 699 O ILE A 51 -6.352 7.318 -6.129 1.00 0.00 O ATOM 700 CB ILE A 51 -5.194 8.345 -3.709 1.00 0.00 C ATOM 701 CG1 ILE A 51 -4.357 8.054 -2.462 1.00 0.00 C ATOM 702 CG2 ILE A 51 -5.592 9.813 -3.756 1.00 0.00 C ATOM 703 CD1 ILE A 51 -5.113 8.255 -1.167 1.00 0.00 C ATOM 0 H ILE A 51 -5.220 5.751 -3.643 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.173 7.831 -3.017 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.589 8.124 -4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.997 7.026 -2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.479 8.700 -2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.696 10.434 -3.737 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.150 10.010 -4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.215 10.049 -2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.458 8.031 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.450 9.289 -1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.976 7.590 -1.143 1.00 0.00 H new ATOM 827 N ASP A 61 -4.226 3.899 -14.072 1.00 0.00 N ATOM 828 CA ASP A 61 -3.614 3.485 -12.814 1.00 0.00 C ATOM 829 C ASP A 61 -4.180 4.286 -11.645 1.00 0.00 C ATOM 830 O ASP A 61 -4.644 5.413 -11.817 1.00 0.00 O ATOM 831 CB ASP A 61 -2.096 3.659 -12.880 1.00 0.00 C ATOM 832 CG ASP A 61 -1.684 4.817 -13.767 1.00 0.00 C ATOM 833 OD1 ASP A 61 -2.489 5.758 -13.926 1.00 0.00 O ATOM 834 OD2 ASP A 61 -0.556 4.783 -14.303 1.00 0.00 O ATOM 0 HA ASP A 61 -3.845 2.432 -12.655 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.708 3.819 -11.874 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.644 2.740 -13.254 1.00 0.00 H new ATOM 839 N LYS A 62 -4.139 3.695 -10.456 1.00 0.00 N ATOM 840 CA LYS A 62 -4.647 4.351 -9.257 1.00 0.00 C ATOM 841 C LYS A 62 -3.585 4.384 -8.163 1.00 0.00 C ATOM 842 O LYS A 62 -3.101 3.350 -7.703 1.00 0.00 O ATOM 843 CB LYS A 62 -5.898 3.631 -8.747 1.00 0.00 C ATOM 844 CG LYS A 62 -6.807 3.131 -9.857 1.00 0.00 C ATOM 845 CD LYS A 62 -7.749 4.221 -10.339 1.00 0.00 C ATOM 846 CE LYS A 62 -9.050 3.638 -10.869 1.00 0.00 C ATOM 847 NZ LYS A 62 -10.035 4.701 -11.213 1.00 0.00 N ATOM 0 H LYS A 62 -3.759 2.762 -10.297 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.907 5.377 -9.518 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.594 2.786 -8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.461 4.309 -8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.202 2.776 -10.692 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.386 2.280 -9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.963 4.907 -9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.264 4.803 -11.123 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.844 3.034 -11.753 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.481 2.972 -10.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.908 4.263 -11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.251 5.262 -10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.634 5.322 -11.945 1.00 0.00 H new ATOM 861 N PRO A 63 -3.213 5.599 -7.734 1.00 0.00 N ATOM 862 CA PRO A 63 -2.206 5.796 -6.688 1.00 0.00 C ATOM 863 C PRO A 63 -2.703 5.356 -5.315 1.00 0.00 C ATOM 864 O PRO A 63 -3.660 5.917 -4.781 1.00 0.00 O ATOM 865 CB PRO A 63 -1.962 7.307 -6.709 1.00 0.00 C ATOM 866 CG PRO A 63 -3.220 7.886 -7.257 1.00 0.00 C ATOM 867 CD PRO A 63 -3.748 6.876 -8.238 1.00 0.00 C ATOM 0 HA PRO A 63 -1.309 5.203 -6.869 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.753 7.688 -5.709 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.105 7.561 -7.332 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.942 8.073 -6.462 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.029 8.842 -7.745 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.838 6.873 -8.264 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.405 7.083 -9.252 1.00 0.00 H new ATOM 875 N LEU A 64 -2.047 4.349 -4.748 1.00 0.00 N ATOM 876 CA LEU A 64 -2.422 3.834 -3.436 1.00 0.00 C ATOM 877 C LEU A 64 -1.552 4.445 -2.342 1.00 0.00 C ATOM 878 O LEU A 64 -0.324 4.379 -2.403 1.00 0.00 O ATOM 879 CB LEU A 64 -2.298 2.310 -3.410 1.00 0.00 C ATOM 880 CG LEU A 64 -2.238 1.664 -2.025 1.00 0.00 C ATOM 881 CD1 LEU A 64 -3.596 1.734 -1.345 1.00 0.00 C ATOM 882 CD2 LEU A 64 -1.764 0.222 -2.129 1.00 0.00 C ATOM 0 H LEU A 64 -1.253 3.873 -5.176 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.459 4.111 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.146 1.887 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.399 2.029 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.522 2.217 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.534 1.270 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.895 2.776 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.333 1.206 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.727 -0.222 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.455 -0.344 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.769 0.197 -2.574 1.00 0.00 H new ATOM 894 N ARG A 65 -2.196 5.036 -1.341 1.00 0.00 N ATOM 895 CA ARG A 65 -1.481 5.658 -0.233 1.00 0.00 C ATOM 896 C ARG A 65 -1.393 4.708 0.958 1.00 0.00 C ATOM 897 O ARG A 65 -2.410 4.223 1.454 1.00 0.00 O ATOM 898 CB ARG A 65 -2.176 6.955 0.187 1.00 0.00 C ATOM 899 CG ARG A 65 -1.257 7.934 0.900 1.00 0.00 C ATOM 900 CD ARG A 65 -1.708 9.372 0.694 1.00 0.00 C ATOM 901 NE ARG A 65 -0.660 10.329 1.036 1.00 0.00 N ATOM 902 CZ ARG A 65 -0.899 11.588 1.386 1.00 0.00 C ATOM 903 NH1 ARG A 65 -2.145 12.039 1.439 1.00 0.00 N ATOM 904 NH2 ARG A 65 0.108 12.398 1.683 1.00 0.00 N ATOM 0 H ARG A 65 -3.212 5.097 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.470 5.888 -0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.591 7.438 -0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.014 6.713 0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.238 7.707 1.966 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.239 7.814 0.530 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.003 9.514 -0.346 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.590 9.566 1.305 1.00 0.00 H new ATOM 0 HE ARG A 65 0.309 10.013 1.004 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.922 11.419 1.211 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.326 13.006 1.708 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.068 12.055 1.643 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.077 13.364 1.952 1.00 0.00 H new ATOM 918 N ILE A 66 -0.171 4.446 1.409 1.00 0.00 N ATOM 919 CA ILE A 66 0.050 3.555 2.541 1.00 0.00 C ATOM 920 C ILE A 66 0.676 4.301 3.715 1.00 0.00 C ATOM 921 O ILE A 66 1.872 4.595 3.711 1.00 0.00 O ATOM 922 CB ILE A 66 0.957 2.371 2.157 1.00 0.00 C ATOM 923 CG1 ILE A 66 0.334 1.575 1.008 1.00 0.00 C ATOM 924 CG2 ILE A 66 1.195 1.473 3.363 1.00 0.00 C ATOM 925 CD1 ILE A 66 1.055 0.279 0.711 1.00 0.00 C ATOM 0 H ILE A 66 0.681 4.838 1.008 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.927 3.173 2.837 1.00 0.00 H new ATOM 0 HB ILE A 66 1.919 2.762 1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.706 1.356 1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.329 2.193 0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.838 0.641 3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.677 2.047 4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.241 1.087 3.723 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.559 -0.232 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.088 0.492 0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.038 -0.358 1.595 1.00 0.00 H new ATOM 937 N THR A 67 -0.139 4.604 4.720 1.00 0.00 N ATOM 938 CA THR A 67 0.334 5.315 5.900 1.00 0.00 C ATOM 939 C THR A 67 0.662 4.347 7.031 1.00 0.00 C ATOM 940 O THR A 67 0.137 3.235 7.081 1.00 0.00 O ATOM 941 CB THR A 67 -0.708 6.334 6.398 1.00 0.00 C ATOM 942 OG1 THR A 67 -2.029 5.876 6.086 1.00 0.00 O ATOM 943 CG2 THR A 67 -0.476 7.698 5.766 1.00 0.00 C ATOM 0 H THR A 67 -1.131 4.368 4.740 1.00 0.00 H new ATOM 0 HA THR A 67 1.239 5.846 5.606 1.00 0.00 H new ATOM 0 HB THR A 67 -0.603 6.430 7.479 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.686 6.528 6.407 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.224 8.401 6.133 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.519 8.057 6.029 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.557 7.615 4.682 1.00 0.00 H new ATOM 951 N GLY A 68 1.533 4.777 7.939 1.00 0.00 N ATOM 952 CA GLY A 68 1.915 3.935 9.058 1.00 0.00 C ATOM 953 C GLY A 68 3.403 3.985 9.339 1.00 0.00 C ATOM 954 O GLY A 68 4.142 4.721 8.684 1.00 0.00 O ATOM 0 H GLY A 68 1.981 5.693 7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.370 4.249 9.948 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.622 2.906 8.851 1.00 0.00 H new ATOM 958 N ASP A 69 3.845 3.201 10.317 1.00 0.00 N ATOM 959 CA ASP A 69 5.256 3.160 10.684 1.00 0.00 C ATOM 960 C ASP A 69 6.142 3.183 9.443 1.00 0.00 C ATOM 961 O ASP A 69 5.834 2.573 8.419 1.00 0.00 O ATOM 962 CB ASP A 69 5.552 1.909 11.514 1.00 0.00 C ATOM 963 CG ASP A 69 6.669 2.129 12.515 1.00 0.00 C ATOM 964 OD1 ASP A 69 6.496 2.970 13.423 1.00 0.00 O ATOM 965 OD2 ASP A 69 7.717 1.461 12.391 1.00 0.00 O ATOM 0 H ASP A 69 3.247 2.586 10.869 1.00 0.00 H new ATOM 0 HA ASP A 69 5.476 4.045 11.281 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.649 1.605 12.043 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.822 1.090 10.847 1.00 0.00 H new ATOM 970 N PRO A 70 7.269 3.905 9.533 1.00 0.00 N ATOM 971 CA PRO A 70 8.223 4.025 8.426 1.00 0.00 C ATOM 972 C PRO A 70 8.963 2.721 8.154 1.00 0.00 C ATOM 973 O PRO A 70 9.531 2.531 7.078 1.00 0.00 O ATOM 974 CB PRO A 70 9.196 5.102 8.913 1.00 0.00 C ATOM 975 CG PRO A 70 9.118 5.040 10.399 1.00 0.00 C ATOM 976 CD PRO A 70 7.700 4.657 10.723 1.00 0.00 C ATOM 0 HA PRO A 70 7.729 4.271 7.486 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.209 4.908 8.561 1.00 0.00 H new ATOM 0 HB3 PRO A 70 8.913 6.087 8.543 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.821 4.308 10.797 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.374 6.002 10.844 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.645 4.048 11.625 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.075 5.534 10.892 1.00 0.00 H new ATOM 984 N TYR A 71 8.954 1.825 9.135 1.00 0.00 N ATOM 985 CA TYR A 71 9.627 0.538 9.002 1.00 0.00 C ATOM 986 C TYR A 71 8.662 -0.531 8.499 1.00 0.00 C ATOM 987 O TYR A 71 9.076 -1.533 7.914 1.00 0.00 O ATOM 988 CB TYR A 71 10.226 0.111 10.342 1.00 0.00 C ATOM 989 CG TYR A 71 10.899 -1.243 10.301 1.00 0.00 C ATOM 990 CD1 TYR A 71 10.160 -2.412 10.432 1.00 0.00 C ATOM 991 CD2 TYR A 71 12.273 -1.352 10.130 1.00 0.00 C ATOM 992 CE1 TYR A 71 10.770 -3.650 10.396 1.00 0.00 C ATOM 993 CE2 TYR A 71 12.892 -2.587 10.091 1.00 0.00 C ATOM 994 CZ TYR A 71 12.136 -3.733 10.225 1.00 0.00 C ATOM 995 OH TYR A 71 12.748 -4.965 10.187 1.00 0.00 O ATOM 0 H TYR A 71 8.488 1.966 10.031 1.00 0.00 H new ATOM 0 HA TYR A 71 10.429 0.650 8.273 1.00 0.00 H new ATOM 0 HB2 TYR A 71 10.952 0.859 10.661 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.437 0.093 11.094 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.090 -2.351 10.564 1.00 0.00 H new ATOM 0 HD2 TYR A 71 12.868 -0.457 10.026 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.181 -4.549 10.501 1.00 0.00 H new ATOM 0 HE2 TYR A 71 13.961 -2.654 9.956 1.00 0.00 H new ATOM 0 HH TYR A 71 13.713 -4.847 10.059 1.00 0.00 H new ATOM 1005 N LYS A 72 7.373 -0.312 8.731 1.00 0.00 N ATOM 1006 CA LYS A 72 6.346 -1.254 8.301 1.00 0.00 C ATOM 1007 C LYS A 72 5.778 -0.857 6.942 1.00 0.00 C ATOM 1008 O LYS A 72 5.719 -1.671 6.021 1.00 0.00 O ATOM 1009 CB LYS A 72 5.221 -1.322 9.336 1.00 0.00 C ATOM 1010 CG LYS A 72 5.693 -1.726 10.722 1.00 0.00 C ATOM 1011 CD LYS A 72 4.587 -2.403 11.513 1.00 0.00 C ATOM 1012 CE LYS A 72 4.560 -3.903 11.262 1.00 0.00 C ATOM 1013 NZ LYS A 72 3.747 -4.621 12.282 1.00 0.00 N ATOM 0 H LYS A 72 7.014 0.511 9.215 1.00 0.00 H new ATOM 0 HA LYS A 72 6.806 -2.238 8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.735 -0.348 9.396 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.468 -2.033 8.996 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.544 -2.401 10.635 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.039 -0.844 11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.731 -2.214 12.577 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.625 -1.970 11.239 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.153 -4.098 10.270 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.579 -4.291 11.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.412 -5.523 11.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.330 -4.807 13.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.930 -4.036 12.550 1.00 0.00 H new ATOM 1027 N VAL A 73 5.361 0.400 6.824 1.00 0.00 N ATOM 1028 CA VAL A 73 4.800 0.905 5.577 1.00 0.00 C ATOM 1029 C VAL A 73 5.619 0.442 4.378 1.00 0.00 C ATOM 1030 O VAL A 73 5.066 0.051 3.350 1.00 0.00 O ATOM 1031 CB VAL A 73 4.733 2.444 5.575 1.00 0.00 C ATOM 1032 CG1 VAL A 73 4.640 2.973 4.152 1.00 0.00 C ATOM 1033 CG2 VAL A 73 3.557 2.927 6.410 1.00 0.00 C ATOM 0 H VAL A 73 5.401 1.087 7.577 1.00 0.00 H new ATOM 0 HA VAL A 73 3.789 0.504 5.499 1.00 0.00 H new ATOM 0 HB VAL A 73 5.649 2.831 6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.594 4.062 4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.518 2.657 3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.742 2.580 3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.525 4.016 6.397 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.630 2.532 5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.672 2.579 7.437 1.00 0.00 H new ATOM 1043 N GLN A 74 6.940 0.487 4.518 1.00 0.00 N ATOM 1044 CA GLN A 74 7.836 0.071 3.445 1.00 0.00 C ATOM 1045 C GLN A 74 7.637 -1.404 3.110 1.00 0.00 C ATOM 1046 O GLN A 74 7.751 -1.807 1.954 1.00 0.00 O ATOM 1047 CB GLN A 74 9.292 0.325 3.840 1.00 0.00 C ATOM 1048 CG GLN A 74 9.820 -0.654 4.876 1.00 0.00 C ATOM 1049 CD GLN A 74 11.335 -0.691 4.925 1.00 0.00 C ATOM 1050 OE1 GLN A 74 11.974 -1.438 4.182 1.00 0.00 O ATOM 1051 NE2 GLN A 74 11.919 0.116 5.802 1.00 0.00 N ATOM 0 H GLN A 74 7.413 0.807 5.363 1.00 0.00 H new ATOM 0 HA GLN A 74 7.599 0.661 2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.917 0.270 2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.382 1.339 4.231 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.435 -0.380 5.858 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.443 -1.652 4.653 1.00 0.00 H new ATOM 0 HE21 GLN A 74 11.351 0.718 6.398 1.00 0.00 H new ATOM 0 HE22 GLN A 74 12.936 0.134 5.880 1.00 0.00 H new ATOM 1060 N GLN A 75 7.340 -2.202 4.131 1.00 0.00 N ATOM 1061 CA GLN A 75 7.126 -3.632 3.944 1.00 0.00 C ATOM 1062 C GLN A 75 5.809 -3.896 3.221 1.00 0.00 C ATOM 1063 O GLN A 75 5.783 -4.552 2.180 1.00 0.00 O ATOM 1064 CB GLN A 75 7.133 -4.351 5.294 1.00 0.00 C ATOM 1065 CG GLN A 75 8.470 -4.280 6.014 1.00 0.00 C ATOM 1066 CD GLN A 75 9.555 -5.071 5.310 1.00 0.00 C ATOM 1067 OE1 GLN A 75 9.439 -6.283 5.131 1.00 0.00 O ATOM 1068 NE2 GLN A 75 10.618 -4.386 4.904 1.00 0.00 N ATOM 0 H GLN A 75 7.242 -1.883 5.095 1.00 0.00 H new ATOM 0 HA GLN A 75 7.940 -4.018 3.330 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.363 -3.917 5.932 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.867 -5.397 5.141 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.780 -3.238 6.095 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.352 -4.657 7.030 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.673 -3.382 5.073 1.00 0.00 H new ATOM 0 HE22 GLN A 75 11.380 -4.864 4.423 1.00 0.00 H new ATOM 1077 N ALA A 76 4.719 -3.381 3.780 1.00 0.00 N ATOM 1078 CA ALA A 76 3.400 -3.560 3.187 1.00 0.00 C ATOM 1079 C ALA A 76 3.416 -3.227 1.699 1.00 0.00 C ATOM 1080 O ALA A 76 2.784 -3.909 0.892 1.00 0.00 O ATOM 1081 CB ALA A 76 2.375 -2.699 3.911 1.00 0.00 C ATOM 0 H ALA A 76 4.724 -2.837 4.643 1.00 0.00 H new ATOM 0 HA ALA A 76 3.120 -4.608 3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.394 -2.842 3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.335 -2.987 4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.661 -1.650 3.833 1.00 0.00 H new ATOM 1087 N LYS A 77 4.143 -2.174 1.341 1.00 0.00 N ATOM 1088 CA LYS A 77 4.243 -1.749 -0.050 1.00 0.00 C ATOM 1089 C LYS A 77 4.681 -2.907 -0.942 1.00 0.00 C ATOM 1090 O LYS A 77 4.267 -3.003 -2.096 1.00 0.00 O ATOM 1091 CB LYS A 77 5.232 -0.589 -0.181 1.00 0.00 C ATOM 1092 CG LYS A 77 5.752 -0.389 -1.594 1.00 0.00 C ATOM 1093 CD LYS A 77 6.918 0.585 -1.627 1.00 0.00 C ATOM 1094 CE LYS A 77 8.215 -0.085 -1.200 1.00 0.00 C ATOM 1095 NZ LYS A 77 9.403 0.760 -1.508 1.00 0.00 N ATOM 0 H LYS A 77 4.672 -1.599 1.996 1.00 0.00 H new ATOM 0 HA LYS A 77 3.257 -1.416 -0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.748 0.329 0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.076 -0.765 0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.066 -1.348 -2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.948 -0.017 -2.229 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.029 0.987 -2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.708 1.428 -0.968 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.183 -0.290 -0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.311 -1.046 -1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.105 0.195 -2.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.111 1.570 -2.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.823 1.105 -0.621 1.00 0.00 H new ATOM 1109 N GLU A 78 5.519 -3.783 -0.397 1.00 0.00 N ATOM 1110 CA GLU A 78 6.011 -4.935 -1.144 1.00 0.00 C ATOM 1111 C GLU A 78 4.921 -5.991 -1.296 1.00 0.00 C ATOM 1112 O GLU A 78 4.807 -6.635 -2.339 1.00 0.00 O ATOM 1113 CB GLU A 78 7.230 -5.541 -0.446 1.00 0.00 C ATOM 1114 CG GLU A 78 8.373 -4.558 -0.255 1.00 0.00 C ATOM 1115 CD GLU A 78 9.705 -5.248 -0.034 1.00 0.00 C ATOM 1116 OE1 GLU A 78 10.062 -6.124 -0.849 1.00 0.00 O ATOM 1117 OE2 GLU A 78 10.390 -4.912 0.955 1.00 0.00 O ATOM 0 H GLU A 78 5.871 -3.717 0.558 1.00 0.00 H new ATOM 0 HA GLU A 78 6.303 -4.594 -2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.927 -5.926 0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.586 -6.391 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.443 -3.913 -1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.155 -3.915 0.598 1.00 0.00 H new ATOM 1124 N MET A 79 4.122 -6.164 -0.248 1.00 0.00 N ATOM 1125 CA MET A 79 3.040 -7.142 -0.265 1.00 0.00 C ATOM 1126 C MET A 79 2.015 -6.799 -1.341 1.00 0.00 C ATOM 1127 O MET A 79 1.534 -7.678 -2.057 1.00 0.00 O ATOM 1128 CB MET A 79 2.359 -7.205 1.103 1.00 0.00 C ATOM 1129 CG MET A 79 3.127 -8.025 2.127 1.00 0.00 C ATOM 1130 SD MET A 79 2.052 -8.773 3.366 1.00 0.00 S ATOM 1131 CE MET A 79 1.263 -7.319 4.052 1.00 0.00 C ATOM 0 H MET A 79 4.203 -5.640 0.623 1.00 0.00 H new ATOM 0 HA MET A 79 3.469 -8.118 -0.494 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.231 -6.191 1.483 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.362 -7.629 0.984 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.685 -8.809 1.615 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.858 -7.387 2.624 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.379 -7.319 5.136 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.727 -6.424 3.638 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.202 -7.328 3.800 1.00 0.00 H new ATOM 1141 N VAL A 80 1.683 -5.517 -1.450 1.00 0.00 N ATOM 1142 CA VAL A 80 0.715 -5.058 -2.439 1.00 0.00 C ATOM 1143 C VAL A 80 1.317 -5.063 -3.840 1.00 0.00 C ATOM 1144 O VAL A 80 0.783 -5.691 -4.755 1.00 0.00 O ATOM 1145 CB VAL A 80 0.209 -3.641 -2.114 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -0.896 -3.234 -3.077 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -0.274 -3.565 -0.673 1.00 0.00 C ATOM 0 H VAL A 80 2.071 -4.777 -0.865 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.125 -5.751 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 80 1.037 -2.943 -2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.241 -2.230 -2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.512 -3.247 -4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.728 -3.934 -2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.628 -2.556 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.088 -4.274 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.548 -3.810 -0.000 1.00 0.00 H new ATOM 1157 N LEU A 81 2.431 -4.357 -4.001 1.00 0.00 N ATOM 1158 CA LEU A 81 3.107 -4.280 -5.291 1.00 0.00 C ATOM 1159 C LEU A 81 3.267 -5.666 -5.907 1.00 0.00 C ATOM 1160 O LEU A 81 3.165 -5.831 -7.122 1.00 0.00 O ATOM 1161 CB LEU A 81 4.477 -3.619 -5.132 1.00 0.00 C ATOM 1162 CG LEU A 81 4.488 -2.090 -5.119 1.00 0.00 C ATOM 1163 CD1 LEU A 81 5.831 -1.569 -4.630 1.00 0.00 C ATOM 1164 CD2 LEU A 81 4.174 -1.542 -6.504 1.00 0.00 C ATOM 0 H LEU A 81 2.885 -3.830 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 81 2.493 -3.675 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.923 -3.973 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.119 -3.960 -5.944 1.00 0.00 H new ATOM 0 HG LEU A 81 3.716 -1.747 -4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.819 -0.479 -4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.016 -1.932 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.621 -1.922 -5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.186 -0.452 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.923 -1.895 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.188 -1.886 -6.816 1.00 0.00 H new ATOM 1176 N GLU A 82 3.515 -6.659 -5.059 1.00 0.00 N ATOM 1177 CA GLU A 82 3.687 -8.032 -5.521 1.00 0.00 C ATOM 1178 C GLU A 82 2.346 -8.646 -5.911 1.00 0.00 C ATOM 1179 O GLU A 82 2.280 -9.521 -6.776 1.00 0.00 O ATOM 1180 CB GLU A 82 4.352 -8.879 -4.434 1.00 0.00 C ATOM 1181 CG GLU A 82 4.956 -10.173 -4.955 1.00 0.00 C ATOM 1182 CD GLU A 82 3.914 -11.250 -5.188 1.00 0.00 C ATOM 1183 OE1 GLU A 82 3.041 -11.431 -4.314 1.00 0.00 O ATOM 1184 OE2 GLU A 82 3.973 -11.912 -6.245 1.00 0.00 O ATOM 0 H GLU A 82 3.601 -6.539 -4.050 1.00 0.00 H new ATOM 0 HA GLU A 82 4.329 -8.015 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.134 -8.290 -3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.614 -9.115 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.483 -9.974 -5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.696 -10.537 -4.243 1.00 0.00 H new ATOM 1191 N LEU A 83 1.280 -8.183 -5.268 1.00 0.00 N ATOM 1192 CA LEU A 83 -0.060 -8.687 -5.547 1.00 0.00 C ATOM 1193 C LEU A 83 -0.474 -8.368 -6.980 1.00 0.00 C ATOM 1194 O LEU A 83 -0.943 -9.242 -7.710 1.00 0.00 O ATOM 1195 CB LEU A 83 -1.067 -8.084 -4.567 1.00 0.00 C ATOM 1196 CG LEU A 83 -2.405 -8.814 -4.444 1.00 0.00 C ATOM 1197 CD1 LEU A 83 -3.175 -8.741 -5.754 1.00 0.00 C ATOM 1198 CD2 LEU A 83 -2.186 -10.262 -4.031 1.00 0.00 C ATOM 0 H LEU A 83 1.317 -7.460 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.047 -9.770 -5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.605 -8.046 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.264 -7.055 -4.867 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.996 -8.323 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.124 -9.266 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.363 -7.698 -6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.590 -9.207 -6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.149 -10.766 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.576 -10.766 -4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.676 -10.293 -3.068 1.00 0.00 H new ATOM 1210 N ILE A 84 -0.297 -7.112 -7.376 1.00 0.00 N ATOM 1211 CA ILE A 84 -0.649 -6.680 -8.723 1.00 0.00 C ATOM 1212 C ILE A 84 0.406 -7.116 -9.734 1.00 0.00 C ATOM 1213 O ILE A 84 0.137 -7.193 -10.933 1.00 0.00 O ATOM 1214 CB ILE A 84 -0.814 -5.150 -8.797 1.00 0.00 C ATOM 1215 CG1 ILE A 84 0.544 -4.461 -8.648 1.00 0.00 C ATOM 1216 CG2 ILE A 84 -1.780 -4.669 -7.725 1.00 0.00 C ATOM 1217 CD1 ILE A 84 1.300 -4.326 -9.951 1.00 0.00 C ATOM 0 H ILE A 84 0.088 -6.376 -6.784 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.600 -7.153 -8.968 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.226 -4.890 -9.772 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.394 -3.470 -8.220 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.153 -5.025 -7.941 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.886 -3.586 -7.790 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.752 -5.138 -7.874 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.395 -4.937 -6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.253 -3.829 -9.769 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.481 -5.316 -10.371 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.711 -3.736 -10.654 1.00 0.00 H new