USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 606 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 76 GLN : amide:sc= -0.613 X(o=-2.2,f=-2.2) USER MOD Set 1.2: A 77 GLN : amide:sc= -1.59 X(o=-2.2,f=-2.5!) USER MOD Set 2.1: A 60 MET CE :methyl 161:sc= -0.394 (180deg=-1.24) USER MOD Set 2.2: A 88 THR OG1 : rot 71:sc= -4.41! USER MOD Set 3.1: A 22 SER OG : rot -176:sc= -0.731 USER MOD Set 3.2: A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -2.76! C(o=-2.8!,f=-2.4!) USER MOD Single : A 5 HIS : no HD1:sc= -0.383 K(o=-0.38,f=-2.5) USER MOD Single : A 6 THR OG1 : rot 180:sc= -2.53! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.705 X(o=-0.71,f=-0.32) USER MOD Single : A 36 SER OG : rot -14:sc= 0.601 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0674 X(o=-0.067,f=0) USER MOD Single : A 53 GLN : amide:sc= 0.246 K(o=0.25,f=-1.5!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.105 K(o=-0.1,f=-1.6!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -152:sc= -6.8! (180deg=-10.1!) USER MOD Single : A 68 ASN : amide:sc= -0.697 K(o=-0.7,f=-3.7!) USER MOD Single : A 71 HIS :FLIP no HE2:sc= -0.212 F(o=-0.88,f=-0.21) USER MOD Single : A 80 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0913) USER MOD Single : A 81 SER OG : rot 90:sc= -1.83 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -1.07 K(o=-1.1,f=-5.2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 3 4.095 5.199 -11.252 1.00 0.00 N ATOM 135 CA GLU A 3 3.751 4.218 -12.276 1.00 0.00 C ATOM 136 C GLU A 3 3.119 2.984 -11.643 1.00 0.00 C ATOM 137 O GLU A 3 3.413 2.654 -10.500 1.00 0.00 O ATOM 138 CB GLU A 3 4.996 3.819 -13.071 1.00 0.00 C ATOM 139 CG GLU A 3 5.813 5.005 -13.556 1.00 0.00 C ATOM 140 CD GLU A 3 5.745 5.185 -15.061 1.00 0.00 C ATOM 141 OE1 GLU A 3 4.633 5.417 -15.580 1.00 0.00 O ATOM 142 OE2 GLU A 3 6.803 5.093 -15.718 1.00 0.00 O ATOM 0 HA GLU A 3 3.029 4.671 -12.956 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.627 3.184 -12.449 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.692 3.222 -13.931 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.454 5.912 -13.069 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.853 4.872 -13.256 1.00 0.00 H new ATOM 149 N GLN A 4 2.247 2.310 -12.388 1.00 0.00 N ATOM 150 CA GLN A 4 1.571 1.120 -11.881 1.00 0.00 C ATOM 151 C GLN A 4 2.125 -0.150 -12.518 1.00 0.00 C ATOM 152 O GLN A 4 2.187 -0.273 -13.741 1.00 0.00 O ATOM 153 CB GLN A 4 0.068 1.209 -12.156 1.00 0.00 C ATOM 154 CG GLN A 4 -0.746 0.128 -11.464 1.00 0.00 C ATOM 155 CD GLN A 4 -2.186 0.091 -11.937 1.00 0.00 C ATOM 156 OE1 GLN A 4 -2.510 0.584 -13.018 1.00 0.00 O ATOM 157 NE2 GLN A 4 -3.060 -0.496 -11.127 1.00 0.00 N ATOM 0 H GLN A 4 1.993 2.567 -13.342 1.00 0.00 H new ATOM 0 HA GLN A 4 1.748 1.074 -10.806 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.294 2.186 -11.834 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.100 1.145 -13.231 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.283 -0.842 -11.645 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -0.725 0.296 -10.387 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.748 -0.891 -10.240 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.043 -0.551 -11.392 1.00 0.00 H new ATOM 166 N HIS A 5 2.522 -1.092 -11.668 1.00 0.00 N ATOM 167 CA HIS A 5 3.067 -2.363 -12.129 1.00 0.00 C ATOM 168 C HIS A 5 2.436 -3.531 -11.379 1.00 0.00 C ATOM 169 O HIS A 5 2.234 -3.467 -10.162 1.00 0.00 O ATOM 170 CB HIS A 5 4.585 -2.396 -11.947 1.00 0.00 C ATOM 171 CG HIS A 5 5.336 -1.753 -13.071 1.00 0.00 C ATOM 172 ND1 HIS A 5 5.160 -0.436 -13.439 1.00 0.00 N ATOM 173 CD2 HIS A 5 6.273 -2.254 -13.911 1.00 0.00 C ATOM 174 CE1 HIS A 5 5.954 -0.155 -14.457 1.00 0.00 C ATOM 175 NE2 HIS A 5 6.640 -1.241 -14.762 1.00 0.00 N ATOM 0 H HIS A 5 2.476 -0.998 -10.653 1.00 0.00 H new ATOM 0 HA HIS A 5 2.833 -2.459 -13.189 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.842 -1.893 -11.015 1.00 0.00 H new ATOM 0 HB3 HIS A 5 4.909 -3.432 -11.850 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.659 -3.262 -13.911 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.029 0.800 -14.955 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.331 -1.315 -15.509 1.00 0.00 H new ATOM 184 N THR A 6 2.139 -4.599 -12.110 1.00 0.00 N ATOM 185 CA THR A 6 1.547 -5.790 -11.516 1.00 0.00 C ATOM 186 C THR A 6 2.591 -6.896 -11.413 1.00 0.00 C ATOM 187 O THR A 6 3.091 -7.387 -12.426 1.00 0.00 O ATOM 188 CB THR A 6 0.354 -6.268 -12.347 1.00 0.00 C ATOM 189 OG1 THR A 6 -0.090 -5.246 -13.222 1.00 0.00 O ATOM 190 CG2 THR A 6 -0.827 -6.699 -11.506 1.00 0.00 C ATOM 0 H THR A 6 2.299 -4.664 -13.115 1.00 0.00 H new ATOM 0 HA THR A 6 1.194 -5.541 -10.515 1.00 0.00 H new ATOM 0 HB THR A 6 0.717 -7.132 -12.903 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.852 -5.572 -13.745 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.638 -7.026 -12.157 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.530 -7.522 -10.856 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.166 -5.860 -10.898 1.00 0.00 H new ATOM 198 N VAL A 7 2.923 -7.281 -10.187 1.00 0.00 N ATOM 199 CA VAL A 7 3.917 -8.324 -9.958 1.00 0.00 C ATOM 200 C VAL A 7 3.307 -9.524 -9.244 1.00 0.00 C ATOM 201 O VAL A 7 2.481 -9.370 -8.345 1.00 0.00 O ATOM 202 CB VAL A 7 5.102 -7.797 -9.128 1.00 0.00 C ATOM 203 CG1 VAL A 7 6.216 -8.832 -9.069 1.00 0.00 C ATOM 204 CG2 VAL A 7 5.614 -6.485 -9.702 1.00 0.00 C ATOM 0 H VAL A 7 2.520 -6.888 -9.337 1.00 0.00 H new ATOM 0 HA VAL A 7 4.277 -8.635 -10.939 1.00 0.00 H new ATOM 0 HB VAL A 7 4.755 -7.612 -8.111 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.045 -8.441 -8.478 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.840 -9.745 -8.608 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.562 -9.052 -10.079 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.451 -6.128 -9.103 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.944 -6.641 -10.729 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.814 -5.744 -9.686 1.00 0.00 H new ATOM 214 N THR A 8 3.722 -10.719 -9.654 1.00 0.00 N ATOM 215 CA THR A 8 3.217 -11.951 -9.056 1.00 0.00 C ATOM 216 C THR A 8 4.157 -12.455 -7.966 1.00 0.00 C ATOM 217 O THR A 8 5.275 -12.886 -8.246 1.00 0.00 O ATOM 218 CB THR A 8 3.041 -13.026 -10.129 1.00 0.00 C ATOM 219 OG1 THR A 8 2.603 -12.452 -11.347 1.00 0.00 O ATOM 220 CG2 THR A 8 2.047 -14.099 -9.742 1.00 0.00 C ATOM 0 H THR A 8 4.406 -10.861 -10.397 1.00 0.00 H new ATOM 0 HA THR A 8 2.249 -11.735 -8.603 1.00 0.00 H new ATOM 0 HB THR A 8 4.023 -13.486 -10.241 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.498 -13.156 -12.021 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.969 -14.830 -10.547 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.383 -14.595 -8.832 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.071 -13.645 -9.568 1.00 0.00 H new ATOM 228 N LEU A 9 3.693 -12.403 -6.722 1.00 0.00 N ATOM 229 CA LEU A 9 4.489 -12.860 -5.589 1.00 0.00 C ATOM 230 C LEU A 9 3.969 -14.194 -5.066 1.00 0.00 C ATOM 231 O LEU A 9 2.841 -14.285 -4.580 1.00 0.00 O ATOM 232 CB LEU A 9 4.473 -11.818 -4.469 1.00 0.00 C ATOM 233 CG LEU A 9 4.628 -10.368 -4.930 1.00 0.00 C ATOM 234 CD1 LEU A 9 4.594 -9.424 -3.739 1.00 0.00 C ATOM 235 CD2 LEU A 9 5.922 -10.196 -5.712 1.00 0.00 C ATOM 0 H LEU A 9 2.769 -12.049 -6.473 1.00 0.00 H new ATOM 0 HA LEU A 9 5.515 -12.996 -5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.535 -11.911 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.276 -12.048 -3.768 1.00 0.00 H new ATOM 0 HG LEU A 9 3.793 -10.122 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.706 -8.397 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.642 -9.530 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.410 -9.668 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.018 -9.159 -6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.768 -10.459 -5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.908 -10.847 -6.586 1.00 0.00 H new ATOM 247 N HIS A 10 4.796 -15.228 -5.170 1.00 0.00 N ATOM 248 CA HIS A 10 4.420 -16.558 -4.707 1.00 0.00 C ATOM 249 C HIS A 10 4.498 -16.647 -3.187 1.00 0.00 C ATOM 250 O HIS A 10 5.533 -16.349 -2.590 1.00 0.00 O ATOM 251 CB HIS A 10 5.327 -17.616 -5.338 1.00 0.00 C ATOM 252 CG HIS A 10 6.784 -17.383 -5.085 1.00 0.00 C ATOM 253 ND1 HIS A 10 7.484 -18.017 -4.079 1.00 0.00 N ATOM 254 CD2 HIS A 10 7.677 -16.581 -5.712 1.00 0.00 C ATOM 255 CE1 HIS A 10 8.742 -17.613 -4.098 1.00 0.00 C ATOM 256 NE2 HIS A 10 8.885 -16.743 -5.080 1.00 0.00 N ATOM 0 H HIS A 10 5.732 -15.170 -5.571 1.00 0.00 H new ATOM 0 HA HIS A 10 3.390 -16.744 -5.012 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.052 -18.597 -4.950 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.152 -17.638 -6.414 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.476 -15.934 -6.553 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.521 -17.939 -3.424 1.00 0.00 H new ATOM 0 HE2 HIS A 10 9.753 -16.268 -5.329 1.00 0.00 H new ATOM 265 N ARG A 11 3.397 -17.059 -2.565 1.00 0.00 N ATOM 266 CA ARG A 11 3.342 -17.189 -1.111 1.00 0.00 C ATOM 267 C ARG A 11 4.464 -18.089 -0.602 1.00 0.00 C ATOM 268 O ARG A 11 4.671 -19.190 -1.111 1.00 0.00 O ATOM 269 CB ARG A 11 1.987 -17.753 -0.678 1.00 0.00 C ATOM 270 CG ARG A 11 0.800 -16.937 -1.164 1.00 0.00 C ATOM 271 CD ARG A 11 -0.483 -17.332 -0.448 1.00 0.00 C ATOM 272 NE ARG A 11 -0.435 -17.021 0.979 1.00 0.00 N ATOM 273 CZ ARG A 11 -0.005 -17.869 1.913 1.00 0.00 C ATOM 274 NH1 ARG A 11 0.427 -19.079 1.580 1.00 0.00 N ATOM 275 NH2 ARG A 11 -0.003 -17.501 3.188 1.00 0.00 N ATOM 0 H ARG A 11 2.532 -17.308 -3.044 1.00 0.00 H new ATOM 0 HA ARG A 11 3.470 -16.197 -0.679 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.892 -18.773 -1.051 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.957 -17.808 0.410 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.996 -15.877 -1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.676 -17.078 -2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.326 -16.813 -0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.657 -18.400 -0.580 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.750 -16.098 1.279 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.432 -19.367 0.602 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.754 -19.720 2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.330 -16.571 3.451 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.325 -18.148 3.905 1.00 0.00 H new ATOM 289 N ALA A 12 5.190 -17.612 0.406 1.00 0.00 N ATOM 290 CA ALA A 12 6.292 -18.373 0.982 1.00 0.00 C ATOM 291 C ALA A 12 6.031 -18.700 2.450 1.00 0.00 C ATOM 292 O ALA A 12 5.225 -18.041 3.107 1.00 0.00 O ATOM 293 CB ALA A 12 7.597 -17.604 0.835 1.00 0.00 C ATOM 0 H ALA A 12 5.034 -16.702 0.840 1.00 0.00 H new ATOM 0 HA ALA A 12 6.372 -19.314 0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.412 -18.183 1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.799 -17.429 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.516 -16.648 1.352 1.00 0.00 H new ATOM 299 N PRO A 13 6.713 -19.727 2.986 1.00 0.00 N ATOM 300 CA PRO A 13 6.552 -20.139 4.385 1.00 0.00 C ATOM 301 C PRO A 13 7.057 -19.081 5.360 1.00 0.00 C ATOM 302 O PRO A 13 7.963 -18.310 5.042 1.00 0.00 O ATOM 303 CB PRO A 13 7.401 -21.410 4.487 1.00 0.00 C ATOM 304 CG PRO A 13 8.396 -21.292 3.385 1.00 0.00 C ATOM 305 CD PRO A 13 7.696 -20.564 2.273 1.00 0.00 C ATOM 0 HA PRO A 13 5.505 -20.292 4.645 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.892 -21.481 5.458 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.789 -22.305 4.373 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.280 -20.745 3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.733 -22.275 3.057 1.00 0.00 H new ATOM 0 HD2 PRO A 13 8.389 -19.961 1.687 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.212 -21.254 1.582 1.00 0.00 H new ATOM 313 N GLY A 14 6.465 -19.050 6.549 1.00 0.00 N ATOM 314 CA GLY A 14 6.868 -18.082 7.554 1.00 0.00 C ATOM 315 C GLY A 14 5.977 -16.856 7.566 1.00 0.00 C ATOM 316 O GLY A 14 5.810 -16.213 8.602 1.00 0.00 O ATOM 0 H GLY A 14 5.713 -19.677 6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.847 -18.553 8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.898 -17.777 7.369 1.00 0.00 H new ATOM 320 N PHE A 15 5.405 -16.531 6.411 1.00 0.00 N ATOM 321 CA PHE A 15 4.527 -15.374 6.291 1.00 0.00 C ATOM 322 C PHE A 15 3.512 -15.575 5.171 1.00 0.00 C ATOM 323 O PHE A 15 2.304 -15.582 5.408 1.00 0.00 O ATOM 324 CB PHE A 15 5.349 -14.109 6.035 1.00 0.00 C ATOM 325 CG PHE A 15 6.222 -13.717 7.191 1.00 0.00 C ATOM 326 CD1 PHE A 15 5.714 -12.962 8.236 1.00 0.00 C ATOM 327 CD2 PHE A 15 7.552 -14.106 7.236 1.00 0.00 C ATOM 328 CE1 PHE A 15 6.516 -12.601 9.302 1.00 0.00 C ATOM 329 CE2 PHE A 15 8.358 -13.749 8.300 1.00 0.00 C ATOM 330 CZ PHE A 15 7.840 -12.995 9.334 1.00 0.00 C ATOM 0 H PHE A 15 5.534 -17.053 5.545 1.00 0.00 H new ATOM 0 HA PHE A 15 3.984 -15.261 7.229 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.973 -14.263 5.155 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.672 -13.286 5.806 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.680 -12.652 8.217 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.963 -14.695 6.430 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.108 -12.011 10.110 1.00 0.00 H new ATOM 0 HE2 PHE A 15 9.392 -14.059 8.323 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.468 -12.714 10.166 1.00 0.00 H new ATOM 340 N GLY A 16 4.010 -15.741 3.949 1.00 0.00 N ATOM 341 CA GLY A 16 3.133 -15.943 2.811 1.00 0.00 C ATOM 342 C GLY A 16 3.143 -14.771 1.849 1.00 0.00 C ATOM 343 O GLY A 16 4.034 -14.657 1.008 1.00 0.00 O ATOM 0 H GLY A 16 5.006 -15.739 3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.435 -16.846 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.116 -16.108 3.166 1.00 0.00 H new ATOM 347 N PHE A 17 2.148 -13.899 1.972 1.00 0.00 N ATOM 348 CA PHE A 17 2.042 -12.730 1.105 1.00 0.00 C ATOM 349 C PHE A 17 3.273 -11.840 1.233 1.00 0.00 C ATOM 350 O PHE A 17 3.737 -11.261 0.251 1.00 0.00 O ATOM 351 CB PHE A 17 0.783 -11.933 1.444 1.00 0.00 C ATOM 352 CG PHE A 17 -0.453 -12.780 1.545 1.00 0.00 C ATOM 353 CD1 PHE A 17 -0.973 -13.407 0.424 1.00 0.00 C ATOM 354 CD2 PHE A 17 -1.094 -12.950 2.761 1.00 0.00 C ATOM 355 CE1 PHE A 17 -2.110 -14.188 0.515 1.00 0.00 C ATOM 356 CE2 PHE A 17 -2.231 -13.730 2.858 1.00 0.00 C ATOM 357 CZ PHE A 17 -2.738 -14.350 1.733 1.00 0.00 C ATOM 0 H PHE A 17 1.403 -13.979 2.664 1.00 0.00 H new ATOM 0 HA PHE A 17 1.978 -13.079 0.074 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.936 -11.413 2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.629 -11.170 0.681 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.485 -13.284 -0.531 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.701 -12.468 3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.506 -14.671 -0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.722 -13.854 3.812 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.625 -14.961 1.806 1.00 0.00 H new ATOM 367 N GLY A 18 3.802 -11.736 2.449 1.00 0.00 N ATOM 368 CA GLY A 18 4.976 -10.915 2.678 1.00 0.00 C ATOM 369 C GLY A 18 4.634 -9.530 3.195 1.00 0.00 C ATOM 370 O GLY A 18 5.506 -8.813 3.687 1.00 0.00 O ATOM 0 H GLY A 18 3.438 -12.205 3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.629 -11.414 3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.536 -10.822 1.747 1.00 0.00 H new ATOM 374 N ILE A 19 3.364 -9.147 3.082 1.00 0.00 N ATOM 375 CA ILE A 19 2.920 -7.837 3.542 1.00 0.00 C ATOM 376 C ILE A 19 1.552 -7.919 4.210 1.00 0.00 C ATOM 377 O ILE A 19 0.869 -8.940 4.129 1.00 0.00 O ATOM 378 CB ILE A 19 2.847 -6.826 2.380 1.00 0.00 C ATOM 379 CG1 ILE A 19 2.072 -7.419 1.200 1.00 0.00 C ATOM 380 CG2 ILE A 19 4.247 -6.410 1.949 1.00 0.00 C ATOM 381 CD1 ILE A 19 0.653 -6.903 1.088 1.00 0.00 C ATOM 0 H ILE A 19 2.627 -9.725 2.677 1.00 0.00 H new ATOM 0 HA ILE A 19 3.657 -7.495 4.269 1.00 0.00 H new ATOM 0 HB ILE A 19 2.316 -5.939 2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.605 -7.195 0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.049 -8.504 1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.178 -5.696 1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.764 -5.947 2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.803 -7.288 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.164 -7.366 0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.103 -7.150 1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.669 -5.821 0.957 1.00 0.00 H new ATOM 393 N ALA A 20 1.158 -6.834 4.869 1.00 0.00 N ATOM 394 CA ALA A 20 -0.129 -6.776 5.552 1.00 0.00 C ATOM 395 C ALA A 20 -1.048 -5.751 4.895 1.00 0.00 C ATOM 396 O ALA A 20 -0.664 -4.599 4.693 1.00 0.00 O ATOM 397 CB ALA A 20 0.069 -6.445 7.024 1.00 0.00 C ATOM 0 H ALA A 20 1.713 -5.982 4.944 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.602 -7.755 5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.900 -6.405 7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.685 -7.214 7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.564 -5.478 7.116 1.00 0.00 H new ATOM 403 N ILE A 21 -2.262 -6.176 4.564 1.00 0.00 N ATOM 404 CA ILE A 21 -3.233 -5.294 3.929 1.00 0.00 C ATOM 405 C ILE A 21 -3.879 -4.361 4.946 1.00 0.00 C ATOM 406 O ILE A 21 -4.099 -4.736 6.098 1.00 0.00 O ATOM 407 CB ILE A 21 -4.337 -6.094 3.211 1.00 0.00 C ATOM 408 CG1 ILE A 21 -3.720 -7.196 2.346 1.00 0.00 C ATOM 409 CG2 ILE A 21 -5.198 -5.168 2.365 1.00 0.00 C ATOM 410 CD1 ILE A 21 -3.735 -8.559 3.004 1.00 0.00 C ATOM 0 H ILE A 21 -2.597 -7.126 4.725 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.686 -4.703 3.194 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.972 -6.562 3.963 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.261 -7.251 1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.691 -6.927 2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.973 -5.748 1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.663 -4.418 3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.576 -4.674 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.283 -9.291 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.169 -8.520 3.935 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.764 -8.849 3.217 1.00 0.00 H new ATOM 422 N SER A 22 -4.181 -3.140 4.513 1.00 0.00 N ATOM 423 CA SER A 22 -4.802 -2.151 5.385 1.00 0.00 C ATOM 424 C SER A 22 -5.800 -1.295 4.611 1.00 0.00 C ATOM 425 O SER A 22 -5.515 -0.841 3.503 1.00 0.00 O ATOM 426 CB SER A 22 -3.733 -1.261 6.025 1.00 0.00 C ATOM 427 OG SER A 22 -3.851 -1.258 7.436 1.00 0.00 O ATOM 0 H SER A 22 -4.005 -2.813 3.563 1.00 0.00 H new ATOM 0 HA SER A 22 -5.340 -2.681 6.171 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.742 -1.615 5.740 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.828 -0.243 5.647 1.00 0.00 H new ATOM 0 HG SER A 22 -3.198 -0.635 7.818 1.00 0.00 H new ATOM 433 N GLY A 23 -6.970 -1.079 5.202 1.00 0.00 N ATOM 434 CA GLY A 23 -7.991 -0.277 4.553 1.00 0.00 C ATOM 435 C GLY A 23 -9.345 -0.958 4.541 1.00 0.00 C ATOM 436 O GLY A 23 -9.650 -1.762 5.422 1.00 0.00 O ATOM 0 H GLY A 23 -7.230 -1.445 6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.075 0.682 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.685 -0.066 3.528 1.00 0.00 H new ATOM 440 N GLY A 24 -10.159 -0.637 3.541 1.00 0.00 N ATOM 441 CA GLY A 24 -11.478 -1.233 3.437 1.00 0.00 C ATOM 442 C GLY A 24 -12.548 -0.213 3.095 1.00 0.00 C ATOM 443 O GLY A 24 -12.724 0.775 3.808 1.00 0.00 O ATOM 0 H GLY A 24 -9.929 0.026 2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.463 -2.010 2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.730 -1.718 4.380 1.00 0.00 H new ATOM 447 N ARG A 25 -13.264 -0.453 2.001 1.00 0.00 N ATOM 448 CA ARG A 25 -14.321 0.452 1.566 1.00 0.00 C ATOM 449 C ARG A 25 -15.530 0.367 2.493 1.00 0.00 C ATOM 450 O ARG A 25 -16.187 1.371 2.766 1.00 0.00 O ATOM 451 CB ARG A 25 -14.741 0.125 0.130 1.00 0.00 C ATOM 452 CG ARG A 25 -15.432 -1.222 -0.014 1.00 0.00 C ATOM 453 CD ARG A 25 -16.941 -1.090 0.102 1.00 0.00 C ATOM 454 NE ARG A 25 -17.640 -1.943 -0.857 1.00 0.00 N ATOM 455 CZ ARG A 25 -18.908 -1.766 -1.221 1.00 0.00 C ATOM 456 NH1 ARG A 25 -19.620 -0.770 -0.709 1.00 0.00 N ATOM 457 NH2 ARG A 25 -19.466 -2.587 -2.099 1.00 0.00 N ATOM 0 H ARG A 25 -13.131 -1.266 1.400 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.931 1.469 1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -15.410 0.907 -0.230 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.859 0.141 -0.510 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.177 -1.661 -0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.065 -1.904 0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.251 -1.352 1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -17.228 -0.051 -0.061 1.00 0.00 H new ATOM 0 HE ARG A 25 -17.126 -2.720 -1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -19.196 -0.135 -0.033 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -20.591 -0.639 -0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -18.924 -3.354 -2.496 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -20.438 -2.451 -2.378 1.00 0.00 H new ATOM 613 N SER A 36 -8.285 3.803 -1.701 1.00 0.00 N ATOM 614 CA SER A 36 -7.500 2.668 -2.172 1.00 0.00 C ATOM 615 C SER A 36 -6.842 1.939 -1.005 1.00 0.00 C ATOM 616 O SER A 36 -6.527 2.544 0.020 1.00 0.00 O ATOM 617 CB SER A 36 -6.430 3.138 -3.160 1.00 0.00 C ATOM 618 OG SER A 36 -6.060 4.483 -2.911 1.00 0.00 O ATOM 0 HA SER A 36 -8.175 1.976 -2.676 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.552 2.496 -3.083 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.805 3.044 -4.179 1.00 0.00 H new ATOM 0 HG SER A 36 -6.715 4.897 -2.311 1.00 0.00 H new ATOM 624 N ILE A 37 -6.641 0.636 -1.167 1.00 0.00 N ATOM 625 CA ILE A 37 -6.022 -0.177 -0.127 1.00 0.00 C ATOM 626 C ILE A 37 -4.524 0.096 -0.038 1.00 0.00 C ATOM 627 O ILE A 37 -3.878 0.405 -1.039 1.00 0.00 O ATOM 628 CB ILE A 37 -6.244 -1.680 -0.382 1.00 0.00 C ATOM 629 CG1 ILE A 37 -7.722 -1.959 -0.658 1.00 0.00 C ATOM 630 CG2 ILE A 37 -5.757 -2.497 0.805 1.00 0.00 C ATOM 631 CD1 ILE A 37 -8.626 -1.640 0.513 1.00 0.00 C ATOM 0 H ILE A 37 -6.898 0.120 -2.009 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.497 0.097 0.815 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.668 -1.974 -1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.039 -1.374 -1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.842 -3.009 -0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.921 -3.557 0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.693 -2.317 0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.308 -2.204 1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.659 -1.862 0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.335 -2.244 1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.536 -0.583 0.765 1.00 0.00 H new ATOM 643 N VAL A 38 -3.978 -0.019 1.168 1.00 0.00 N ATOM 644 CA VAL A 38 -2.556 0.217 1.389 1.00 0.00 C ATOM 645 C VAL A 38 -1.971 -0.809 2.352 1.00 0.00 C ATOM 646 O VAL A 38 -2.697 -1.435 3.125 1.00 0.00 O ATOM 647 CB VAL A 38 -2.300 1.630 1.944 1.00 0.00 C ATOM 648 CG1 VAL A 38 -0.809 1.931 1.978 1.00 0.00 C ATOM 649 CG2 VAL A 38 -3.043 2.670 1.120 1.00 0.00 C ATOM 0 H VAL A 38 -4.499 -0.274 2.007 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.066 0.122 0.420 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.677 1.672 2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.649 2.934 2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.306 1.205 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.402 1.870 0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.850 3.662 1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.699 2.629 0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.113 2.465 1.155 1.00 0.00 H new ATOM 659 N ILE A 39 -0.653 -0.977 2.301 1.00 0.00 N ATOM 660 CA ILE A 39 0.030 -1.927 3.170 1.00 0.00 C ATOM 661 C ILE A 39 0.307 -1.318 4.540 1.00 0.00 C ATOM 662 O ILE A 39 1.002 -0.308 4.653 1.00 0.00 O ATOM 663 CB ILE A 39 1.363 -2.396 2.552 1.00 0.00 C ATOM 664 CG1 ILE A 39 1.155 -2.820 1.097 1.00 0.00 C ATOM 665 CG2 ILE A 39 1.950 -3.540 3.365 1.00 0.00 C ATOM 666 CD1 ILE A 39 1.471 -1.728 0.098 1.00 0.00 C ATOM 0 H ILE A 39 -0.038 -0.467 1.667 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.633 -2.785 3.283 1.00 0.00 H new ATOM 0 HB ILE A 39 2.068 -1.565 2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.782 -3.686 0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.120 -3.135 0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.890 -3.860 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.131 -3.205 4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.250 -4.376 3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.301 -2.099 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.826 -0.869 0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.514 -1.429 0.204 1.00 0.00 H new ATOM 678 N SER A 40 -0.241 -1.939 5.579 1.00 0.00 N ATOM 679 CA SER A 40 -0.053 -1.458 6.943 1.00 0.00 C ATOM 680 C SER A 40 1.390 -1.654 7.395 1.00 0.00 C ATOM 681 O SER A 40 2.096 -0.689 7.689 1.00 0.00 O ATOM 682 CB SER A 40 -1.000 -2.186 7.898 1.00 0.00 C ATOM 683 OG SER A 40 -1.289 -1.391 9.036 1.00 0.00 O ATOM 0 H SER A 40 -0.819 -2.776 5.503 1.00 0.00 H new ATOM 0 HA SER A 40 -0.279 -0.392 6.959 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.926 -2.433 7.379 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.550 -3.128 8.213 1.00 0.00 H new ATOM 0 HG SER A 40 -1.898 -1.879 9.630 1.00 0.00 H new ATOM 689 N ASP A 41 1.822 -2.910 7.447 1.00 0.00 N ATOM 690 CA ASP A 41 3.181 -3.235 7.863 1.00 0.00 C ATOM 691 C ASP A 41 3.715 -4.429 7.079 1.00 0.00 C ATOM 692 O ASP A 41 2.946 -5.254 6.585 1.00 0.00 O ATOM 693 CB ASP A 41 3.222 -3.535 9.363 1.00 0.00 C ATOM 694 CG ASP A 41 3.588 -2.316 10.186 1.00 0.00 C ATOM 695 OD1 ASP A 41 2.682 -1.513 10.494 1.00 0.00 O ATOM 696 OD2 ASP A 41 4.780 -2.163 10.523 1.00 0.00 O ATOM 0 H ASP A 41 1.250 -3.719 7.206 1.00 0.00 H new ATOM 0 HA ASP A 41 3.814 -2.372 7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.249 -3.907 9.683 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.945 -4.328 9.553 1.00 0.00 H new ATOM 701 N VAL A 42 5.038 -4.516 6.965 1.00 0.00 N ATOM 702 CA VAL A 42 5.668 -5.610 6.239 1.00 0.00 C ATOM 703 C VAL A 42 6.689 -6.338 7.106 1.00 0.00 C ATOM 704 O VAL A 42 7.376 -5.726 7.924 1.00 0.00 O ATOM 705 CB VAL A 42 6.367 -5.111 4.959 1.00 0.00 C ATOM 706 CG1 VAL A 42 5.357 -4.504 3.999 1.00 0.00 C ATOM 707 CG2 VAL A 42 7.458 -4.106 5.302 1.00 0.00 C ATOM 0 H VAL A 42 5.691 -3.843 7.366 1.00 0.00 H new ATOM 0 HA VAL A 42 4.870 -6.300 5.965 1.00 0.00 H new ATOM 0 HB VAL A 42 6.833 -5.965 4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.870 -4.158 3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.617 -5.256 3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.859 -3.662 4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.940 -3.765 4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.018 -3.253 5.819 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.198 -4.579 5.947 1.00 0.00 H new ATOM 717 N LEU A 43 6.784 -7.649 6.915 1.00 0.00 N ATOM 718 CA LEU A 43 7.724 -8.467 7.673 1.00 0.00 C ATOM 719 C LEU A 43 9.160 -8.177 7.248 1.00 0.00 C ATOM 720 O LEU A 43 10.089 -8.288 8.047 1.00 0.00 O ATOM 721 CB LEU A 43 7.415 -9.955 7.480 1.00 0.00 C ATOM 722 CG LEU A 43 6.989 -10.352 6.062 1.00 0.00 C ATOM 723 CD1 LEU A 43 7.772 -11.567 5.581 1.00 0.00 C ATOM 724 CD2 LEU A 43 5.491 -10.624 6.014 1.00 0.00 C ATOM 0 H LEU A 43 6.221 -8.169 6.241 1.00 0.00 H new ATOM 0 HA LEU A 43 7.615 -8.215 8.728 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.299 -10.532 7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.623 -10.239 8.173 1.00 0.00 H new ATOM 0 HG LEU A 43 7.211 -9.521 5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.452 -11.830 4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.837 -11.335 5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.588 -12.407 6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.204 -10.905 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.247 -11.436 6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.948 -9.726 6.309 1.00 0.00 H new ATOM 736 N LYS A 44 9.334 -7.807 5.982 1.00 0.00 N ATOM 737 CA LYS A 44 10.656 -7.500 5.447 1.00 0.00 C ATOM 738 C LYS A 44 11.524 -8.754 5.394 1.00 0.00 C ATOM 739 O LYS A 44 12.743 -8.683 5.544 1.00 0.00 O ATOM 740 CB LYS A 44 11.340 -6.425 6.293 1.00 0.00 C ATOM 741 CG LYS A 44 12.143 -5.427 5.475 1.00 0.00 C ATOM 742 CD LYS A 44 11.457 -4.070 5.417 1.00 0.00 C ATOM 743 CE LYS A 44 12.254 -3.078 4.587 1.00 0.00 C ATOM 744 NZ LYS A 44 13.440 -2.562 5.325 1.00 0.00 N ATOM 0 H LYS A 44 8.575 -7.713 5.307 1.00 0.00 H new ATOM 0 HA LYS A 44 10.530 -7.122 4.432 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.583 -5.888 6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.001 -6.907 7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.136 -5.315 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.279 -5.810 4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.460 -4.183 4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.331 -3.682 6.428 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.581 -3.557 3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.612 -2.244 4.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.957 -1.888 4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.127 -2.082 6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.066 -3.354 5.574 1.00 0.00 H new ATOM 758 N GLY A 45 10.886 -9.900 5.179 1.00 0.00 N ATOM 759 CA GLY A 45 11.615 -11.152 5.109 1.00 0.00 C ATOM 760 C GLY A 45 11.005 -12.132 4.123 1.00 0.00 C ATOM 761 O GLY A 45 11.301 -13.326 4.163 1.00 0.00 O ATOM 0 H GLY A 45 9.877 -9.984 5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.647 -10.951 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.641 -11.608 6.099 1.00 0.00 H new ATOM 765 N GLY A 46 10.151 -11.628 3.236 1.00 0.00 N ATOM 766 CA GLY A 46 9.516 -12.482 2.252 1.00 0.00 C ATOM 767 C GLY A 46 9.544 -11.881 0.859 1.00 0.00 C ATOM 768 O GLY A 46 10.208 -10.869 0.633 1.00 0.00 O ATOM 0 H GLY A 46 9.889 -10.644 3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.018 -13.450 2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.482 -12.663 2.546 1.00 0.00 H new ATOM 772 N PRO A 47 8.828 -12.485 -0.104 1.00 0.00 N ATOM 773 CA PRO A 47 8.783 -11.989 -1.484 1.00 0.00 C ATOM 774 C PRO A 47 8.405 -10.514 -1.558 1.00 0.00 C ATOM 775 O PRO A 47 8.805 -9.806 -2.481 1.00 0.00 O ATOM 776 CB PRO A 47 7.701 -12.851 -2.138 1.00 0.00 C ATOM 777 CG PRO A 47 7.675 -14.104 -1.332 1.00 0.00 C ATOM 778 CD PRO A 47 8.007 -13.696 0.076 1.00 0.00 C ATOM 0 HA PRO A 47 9.755 -12.059 -1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.733 -12.350 -2.122 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.936 -13.057 -3.182 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.695 -14.579 -1.380 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.398 -14.827 -1.710 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.108 -13.489 0.657 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.554 -14.478 0.603 1.00 0.00 H new ATOM 786 N ALA A 48 7.630 -10.057 -0.579 1.00 0.00 N ATOM 787 CA ALA A 48 7.197 -8.665 -0.535 1.00 0.00 C ATOM 788 C ALA A 48 7.965 -7.879 0.523 1.00 0.00 C ATOM 789 O ALA A 48 7.465 -6.890 1.059 1.00 0.00 O ATOM 790 CB ALA A 48 5.702 -8.590 -0.269 1.00 0.00 C ATOM 0 H ALA A 48 7.290 -10.630 0.193 1.00 0.00 H new ATOM 0 HA ALA A 48 7.409 -8.214 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.390 -7.546 -0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.165 -9.106 -1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.478 -9.064 0.687 1.00 0.00 H new ATOM 796 N GLU A 49 9.184 -8.322 0.821 1.00 0.00 N ATOM 797 CA GLU A 49 10.018 -7.656 1.816 1.00 0.00 C ATOM 798 C GLU A 49 10.269 -6.201 1.431 1.00 0.00 C ATOM 799 O GLU A 49 10.222 -5.309 2.277 1.00 0.00 O ATOM 800 CB GLU A 49 11.351 -8.390 1.971 1.00 0.00 C ATOM 801 CG GLU A 49 12.043 -8.688 0.649 1.00 0.00 C ATOM 802 CD GLU A 49 13.275 -7.832 0.429 1.00 0.00 C ATOM 803 OE1 GLU A 49 13.130 -6.705 -0.089 1.00 0.00 O ATOM 804 OE2 GLU A 49 14.385 -8.289 0.774 1.00 0.00 O ATOM 0 H GLU A 49 9.615 -9.139 0.388 1.00 0.00 H new ATOM 0 HA GLU A 49 9.487 -7.676 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.016 -7.790 2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.180 -9.327 2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.327 -9.740 0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.341 -8.525 -0.169 1.00 0.00 H new ATOM 811 N GLY A 50 10.535 -5.968 0.150 1.00 0.00 N ATOM 812 CA GLY A 50 10.790 -4.620 -0.322 1.00 0.00 C ATOM 813 C GLY A 50 10.144 -4.341 -1.664 1.00 0.00 C ATOM 814 O GLY A 50 10.736 -3.686 -2.522 1.00 0.00 O ATOM 0 H GLY A 50 10.578 -6.689 -0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.418 -3.905 0.412 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.866 -4.464 -0.401 1.00 0.00 H new ATOM 818 N GLN A 51 8.924 -4.837 -1.846 1.00 0.00 N ATOM 819 CA GLN A 51 8.194 -4.635 -3.093 1.00 0.00 C ATOM 820 C GLN A 51 6.873 -3.917 -2.838 1.00 0.00 C ATOM 821 O GLN A 51 6.494 -3.012 -3.580 1.00 0.00 O ATOM 822 CB GLN A 51 7.936 -5.978 -3.780 1.00 0.00 C ATOM 823 CG GLN A 51 9.165 -6.559 -4.460 1.00 0.00 C ATOM 824 CD GLN A 51 8.932 -6.869 -5.926 1.00 0.00 C ATOM 825 OE1 GLN A 51 9.106 -8.005 -6.367 1.00 0.00 O ATOM 826 NE2 GLN A 51 8.536 -5.857 -6.689 1.00 0.00 N ATOM 0 H GLN A 51 8.420 -5.382 -1.146 1.00 0.00 H new ATOM 0 HA GLN A 51 8.804 -4.012 -3.747 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.569 -6.690 -3.041 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.146 -5.852 -4.521 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.992 -5.855 -4.369 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.464 -7.471 -3.943 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.404 -4.932 -6.281 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.363 -6.005 -7.683 1.00 0.00 H new ATOM 835 N LEU A 52 6.178 -4.327 -1.783 1.00 0.00 N ATOM 836 CA LEU A 52 4.899 -3.724 -1.427 1.00 0.00 C ATOM 837 C LEU A 52 5.007 -2.960 -0.111 1.00 0.00 C ATOM 838 O LEU A 52 5.236 -3.550 0.944 1.00 0.00 O ATOM 839 CB LEU A 52 3.817 -4.801 -1.319 1.00 0.00 C ATOM 840 CG LEU A 52 3.871 -5.883 -2.398 1.00 0.00 C ATOM 841 CD1 LEU A 52 2.708 -6.851 -2.242 1.00 0.00 C ATOM 842 CD2 LEU A 52 3.861 -5.254 -3.784 1.00 0.00 C ATOM 0 H LEU A 52 6.479 -5.075 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 52 4.624 -3.021 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.898 -5.279 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.840 -4.319 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 52 4.800 -6.441 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.763 -7.614 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.759 -7.326 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.768 -6.308 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.900 -6.038 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.949 -4.671 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.727 -4.601 -3.894 1.00 0.00 H new ATOM 854 N GLN A 53 4.843 -1.643 -0.183 1.00 0.00 N ATOM 855 CA GLN A 53 4.924 -0.797 1.001 1.00 0.00 C ATOM 856 C GLN A 53 4.072 0.456 0.834 1.00 0.00 C ATOM 857 O GLN A 53 3.524 0.707 -0.238 1.00 0.00 O ATOM 858 CB GLN A 53 6.377 -0.407 1.278 1.00 0.00 C ATOM 859 CG GLN A 53 7.028 0.364 0.140 1.00 0.00 C ATOM 860 CD GLN A 53 8.238 -0.347 -0.432 1.00 0.00 C ATOM 861 OE1 GLN A 53 8.917 -1.101 0.266 1.00 0.00 O ATOM 862 NE2 GLN A 53 8.515 -0.111 -1.708 1.00 0.00 N ATOM 0 H GLN A 53 4.653 -1.139 -1.049 1.00 0.00 H new ATOM 0 HA GLN A 53 4.540 -1.365 1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.416 0.198 2.184 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.956 -1.310 1.472 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.296 0.521 -0.652 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.326 1.349 0.498 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.925 0.521 -2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.318 -0.562 -2.147 1.00 0.00 H new ATOM 871 N GLU A 54 3.965 1.242 1.903 1.00 0.00 N ATOM 872 CA GLU A 54 3.179 2.473 1.878 1.00 0.00 C ATOM 873 C GLU A 54 3.528 3.322 0.656 1.00 0.00 C ATOM 874 O GLU A 54 2.692 4.069 0.149 1.00 0.00 O ATOM 875 CB GLU A 54 3.415 3.278 3.156 1.00 0.00 C ATOM 876 CG GLU A 54 2.423 2.962 4.264 1.00 0.00 C ATOM 877 CD GLU A 54 1.960 4.202 5.003 1.00 0.00 C ATOM 878 OE1 GLU A 54 2.743 5.171 5.087 1.00 0.00 O ATOM 879 OE2 GLU A 54 0.813 4.204 5.498 1.00 0.00 O ATOM 0 H GLU A 54 4.413 1.048 2.798 1.00 0.00 H new ATOM 0 HA GLU A 54 2.126 2.199 1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.425 3.084 3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.359 4.341 2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.558 2.453 3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.882 2.272 4.972 1.00 0.00 H new ATOM 886 N ASN A 55 4.768 3.199 0.190 1.00 0.00 N ATOM 887 CA ASN A 55 5.223 3.952 -0.971 1.00 0.00 C ATOM 888 C ASN A 55 4.552 3.441 -2.242 1.00 0.00 C ATOM 889 O ASN A 55 4.300 4.204 -3.174 1.00 0.00 O ATOM 890 CB ASN A 55 6.745 3.852 -1.105 1.00 0.00 C ATOM 891 CG ASN A 55 7.443 5.146 -0.733 1.00 0.00 C ATOM 892 OD1 ASN A 55 7.959 5.289 0.375 1.00 0.00 O ATOM 893 ND2 ASN A 55 7.461 6.096 -1.661 1.00 0.00 N ATOM 0 H ASN A 55 5.473 2.586 0.599 1.00 0.00 H new ATOM 0 HA ASN A 55 4.948 4.997 -0.830 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.111 3.048 -0.467 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.000 3.586 -2.131 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.916 6.988 -1.468 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.020 5.933 -2.566 1.00 0.00 H new ATOM 900 N ASP A 56 4.261 2.144 -2.270 1.00 0.00 N ATOM 901 CA ASP A 56 3.615 1.529 -3.423 1.00 0.00 C ATOM 902 C ASP A 56 2.110 1.417 -3.205 1.00 0.00 C ATOM 903 O ASP A 56 1.627 0.447 -2.620 1.00 0.00 O ATOM 904 CB ASP A 56 4.208 0.145 -3.689 1.00 0.00 C ATOM 905 CG ASP A 56 5.682 0.207 -4.039 1.00 0.00 C ATOM 906 OD1 ASP A 56 6.392 1.061 -3.470 1.00 0.00 O ATOM 907 OD2 ASP A 56 6.126 -0.600 -4.883 1.00 0.00 O ATOM 0 H ASP A 56 4.463 1.499 -1.506 1.00 0.00 H new ATOM 0 HA ASP A 56 3.793 2.164 -4.290 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.072 -0.481 -2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.663 -0.330 -4.505 1.00 0.00 H new ATOM 912 N ARG A 57 1.372 2.418 -3.676 1.00 0.00 N ATOM 913 CA ARG A 57 -0.078 2.433 -3.530 1.00 0.00 C ATOM 914 C ARG A 57 -0.718 1.308 -4.338 1.00 0.00 C ATOM 915 O ARG A 57 -0.474 1.176 -5.538 1.00 0.00 O ATOM 916 CB ARG A 57 -0.643 3.783 -3.976 1.00 0.00 C ATOM 917 CG ARG A 57 -0.815 4.776 -2.838 1.00 0.00 C ATOM 918 CD ARG A 57 0.435 5.617 -2.638 1.00 0.00 C ATOM 919 NE ARG A 57 0.355 6.440 -1.434 1.00 0.00 N ATOM 920 CZ ARG A 57 1.312 7.279 -1.044 1.00 0.00 C ATOM 921 NH1 ARG A 57 2.423 7.410 -1.760 1.00 0.00 N ATOM 922 NH2 ARG A 57 1.158 7.991 0.065 1.00 0.00 N ATOM 0 H ARG A 57 1.755 3.229 -4.162 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.314 2.279 -2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.019 4.214 -4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.608 3.623 -4.456 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.663 5.428 -3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.045 4.240 -1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.305 4.963 -2.573 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.583 6.259 -3.507 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.484 6.368 -0.858 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.546 6.866 -2.614 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.153 8.055 -1.456 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.307 7.895 0.618 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.891 8.634 0.364 1.00 0.00 H new ATOM 936 N VAL A 58 -1.537 0.500 -3.672 1.00 0.00 N ATOM 937 CA VAL A 58 -2.213 -0.612 -4.327 1.00 0.00 C ATOM 938 C VAL A 58 -3.443 -0.132 -5.091 1.00 0.00 C ATOM 939 O VAL A 58 -4.289 0.575 -4.543 1.00 0.00 O ATOM 940 CB VAL A 58 -2.642 -1.686 -3.311 1.00 0.00 C ATOM 941 CG1 VAL A 58 -3.161 -2.924 -4.026 1.00 0.00 C ATOM 942 CG2 VAL A 58 -1.486 -2.041 -2.388 1.00 0.00 C ATOM 0 H VAL A 58 -1.748 0.595 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.500 -1.049 -5.026 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.451 -1.280 -2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.459 -3.671 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.021 -2.656 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.375 -3.333 -4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.809 -2.802 -1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.654 -2.425 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.166 -1.151 -1.847 1.00 0.00 H new ATOM 952 N ALA A 59 -3.535 -0.518 -6.359 1.00 0.00 N ATOM 953 CA ALA A 59 -4.662 -0.124 -7.197 1.00 0.00 C ATOM 954 C ALA A 59 -5.520 -1.327 -7.572 1.00 0.00 C ATOM 955 O ALA A 59 -6.739 -1.214 -7.709 1.00 0.00 O ATOM 956 CB ALA A 59 -4.167 0.584 -8.448 1.00 0.00 C ATOM 0 H ALA A 59 -2.844 -1.103 -6.829 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.283 0.564 -6.624 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.019 0.872 -9.064 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.606 1.475 -8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.520 -0.087 -9.014 1.00 0.00 H new ATOM 962 N MET A 60 -4.879 -2.480 -7.739 1.00 0.00 N ATOM 963 CA MET A 60 -5.589 -3.701 -8.100 1.00 0.00 C ATOM 964 C MET A 60 -4.844 -4.936 -7.601 1.00 0.00 C ATOM 965 O MET A 60 -3.632 -4.900 -7.390 1.00 0.00 O ATOM 966 CB MET A 60 -5.769 -3.780 -9.617 1.00 0.00 C ATOM 967 CG MET A 60 -6.818 -4.789 -10.054 1.00 0.00 C ATOM 968 SD MET A 60 -7.053 -4.815 -11.842 1.00 0.00 S ATOM 969 CE MET A 60 -5.355 -4.834 -12.407 1.00 0.00 C ATOM 0 H MET A 60 -3.871 -2.594 -7.630 1.00 0.00 H new ATOM 0 HA MET A 60 -6.569 -3.674 -7.623 1.00 0.00 H new ATOM 0 HB2 MET A 60 -6.045 -2.795 -9.993 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.814 -4.040 -10.075 1.00 0.00 H new ATOM 0 HG2 MET A 60 -6.524 -5.783 -9.715 1.00 0.00 H new ATOM 0 HG3 MET A 60 -7.766 -4.555 -9.570 1.00 0.00 H new ATOM 0 HE1 MET A 60 -5.319 -5.185 -13.438 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.942 -3.827 -12.351 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.769 -5.502 -11.776 1.00 0.00 H new ATOM 979 N VAL A 61 -5.580 -6.026 -7.414 1.00 0.00 N ATOM 980 CA VAL A 61 -4.994 -7.275 -6.941 1.00 0.00 C ATOM 981 C VAL A 61 -5.624 -8.474 -7.641 1.00 0.00 C ATOM 982 O VAL A 61 -6.830 -8.699 -7.541 1.00 0.00 O ATOM 983 CB VAL A 61 -5.167 -7.438 -5.420 1.00 0.00 C ATOM 984 CG1 VAL A 61 -4.202 -6.531 -4.672 1.00 0.00 C ATOM 985 CG2 VAL A 61 -6.603 -7.153 -5.012 1.00 0.00 C ATOM 0 H VAL A 61 -6.585 -6.070 -7.583 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.930 -7.234 -7.176 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.937 -8.470 -5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.339 -6.660 -3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.178 -6.789 -4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.397 -5.493 -4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.706 -7.273 -3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.864 -6.132 -5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.271 -7.849 -5.520 1.00 0.00 H new ATOM 995 N ASN A 62 -4.801 -9.241 -8.351 1.00 0.00 N ATOM 996 CA ASN A 62 -5.280 -10.419 -9.070 1.00 0.00 C ATOM 997 C ASN A 62 -6.476 -10.075 -9.954 1.00 0.00 C ATOM 998 O ASN A 62 -7.364 -10.900 -10.162 1.00 0.00 O ATOM 999 CB ASN A 62 -5.663 -11.523 -8.083 1.00 0.00 C ATOM 1000 CG ASN A 62 -5.319 -12.905 -8.602 1.00 0.00 C ATOM 1001 OD1 ASN A 62 -4.999 -13.078 -9.778 1.00 0.00 O ATOM 1002 ND2 ASN A 62 -5.383 -13.900 -7.724 1.00 0.00 N ATOM 0 H ASN A 62 -3.800 -9.069 -8.444 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.472 -10.774 -9.709 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.149 -11.355 -7.136 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.732 -11.470 -7.879 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.162 -14.852 -8.015 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.653 -13.712 -6.759 1.00 0.00 H new ATOM 1009 N GLY A 63 -6.490 -8.850 -10.471 1.00 0.00 N ATOM 1010 CA GLY A 63 -7.581 -8.418 -11.326 1.00 0.00 C ATOM 1011 C GLY A 63 -8.642 -7.641 -10.569 1.00 0.00 C ATOM 1012 O GLY A 63 -9.349 -6.818 -11.149 1.00 0.00 O ATOM 0 H GLY A 63 -5.766 -8.149 -10.313 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.184 -7.797 -12.129 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.039 -9.290 -11.794 1.00 0.00 H new ATOM 1016 N VAL A 64 -8.753 -7.905 -9.271 1.00 0.00 N ATOM 1017 CA VAL A 64 -9.736 -7.225 -8.436 1.00 0.00 C ATOM 1018 C VAL A 64 -9.271 -5.819 -8.075 1.00 0.00 C ATOM 1019 O VAL A 64 -8.181 -5.634 -7.533 1.00 0.00 O ATOM 1020 CB VAL A 64 -10.011 -8.011 -7.140 1.00 0.00 C ATOM 1021 CG1 VAL A 64 -11.181 -7.400 -6.383 1.00 0.00 C ATOM 1022 CG2 VAL A 64 -10.271 -9.478 -7.449 1.00 0.00 C ATOM 0 H VAL A 64 -8.175 -8.584 -8.775 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.656 -7.163 -9.017 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.127 -7.950 -6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.361 -7.968 -5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.949 -6.366 -6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.073 -7.427 -7.009 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.463 -10.017 -6.521 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.138 -9.564 -8.105 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.399 -9.906 -7.943 1.00 0.00 H new ATOM 1032 N SER A 65 -10.106 -4.829 -8.377 1.00 0.00 N ATOM 1033 CA SER A 65 -9.781 -3.438 -8.084 1.00 0.00 C ATOM 1034 C SER A 65 -9.603 -3.224 -6.585 1.00 0.00 C ATOM 1035 O SER A 65 -10.353 -3.772 -5.777 1.00 0.00 O ATOM 1036 CB SER A 65 -10.876 -2.514 -8.618 1.00 0.00 C ATOM 1037 OG SER A 65 -10.569 -2.058 -9.924 1.00 0.00 O ATOM 0 H SER A 65 -11.012 -4.965 -8.824 1.00 0.00 H new ATOM 0 HA SER A 65 -8.840 -3.199 -8.579 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.829 -3.043 -8.629 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.993 -1.661 -7.950 1.00 0.00 H new ATOM 0 HG SER A 65 -11.286 -1.470 -10.242 1.00 0.00 H new ATOM 1043 N MET A 66 -8.606 -2.426 -6.221 1.00 0.00 N ATOM 1044 CA MET A 66 -8.329 -2.139 -4.818 1.00 0.00 C ATOM 1045 C MET A 66 -8.686 -0.697 -4.475 1.00 0.00 C ATOM 1046 O MET A 66 -8.060 -0.080 -3.613 1.00 0.00 O ATOM 1047 CB MET A 66 -6.855 -2.399 -4.503 1.00 0.00 C ATOM 1048 CG MET A 66 -6.493 -3.876 -4.457 1.00 0.00 C ATOM 1049 SD MET A 66 -5.807 -4.378 -2.867 1.00 0.00 S ATOM 1050 CE MET A 66 -7.244 -5.112 -2.093 1.00 0.00 C ATOM 0 H MET A 66 -7.976 -1.966 -6.878 1.00 0.00 H new ATOM 0 HA MET A 66 -8.946 -2.801 -4.211 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.239 -1.906 -5.255 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.612 -1.944 -3.543 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.382 -4.470 -4.668 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.771 -4.093 -5.244 1.00 0.00 H new ATOM 0 HE1 MET A 66 -7.162 -5.018 -1.010 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.143 -4.599 -2.435 1.00 0.00 H new ATOM 0 HE3 MET A 66 -7.303 -6.167 -2.362 1.00 0.00 H new ATOM 1060 N ASP A 67 -9.697 -0.163 -5.155 1.00 0.00 N ATOM 1061 CA ASP A 67 -10.135 1.208 -4.921 1.00 0.00 C ATOM 1062 C ASP A 67 -11.588 1.251 -4.452 1.00 0.00 C ATOM 1063 O ASP A 67 -12.239 2.294 -4.519 1.00 0.00 O ATOM 1064 CB ASP A 67 -9.976 2.038 -6.196 1.00 0.00 C ATOM 1065 CG ASP A 67 -10.825 1.513 -7.337 1.00 0.00 C ATOM 1066 OD1 ASP A 67 -10.384 0.562 -8.017 1.00 0.00 O ATOM 1067 OD2 ASP A 67 -11.931 2.053 -7.551 1.00 0.00 O ATOM 0 H ASP A 67 -10.227 -0.659 -5.872 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.509 1.631 -4.135 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.250 3.073 -5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.928 2.039 -6.497 1.00 0.00 H new ATOM 1072 N ASN A 68 -12.092 0.116 -3.974 1.00 0.00 N ATOM 1073 CA ASN A 68 -13.467 0.030 -3.493 1.00 0.00 C ATOM 1074 C ASN A 68 -13.781 -1.378 -2.994 1.00 0.00 C ATOM 1075 O ASN A 68 -14.748 -2.003 -3.430 1.00 0.00 O ATOM 1076 CB ASN A 68 -14.448 0.421 -4.601 1.00 0.00 C ATOM 1077 CG ASN A 68 -14.342 -0.484 -5.813 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -13.266 -0.993 -6.131 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -15.461 -0.689 -6.498 1.00 0.00 N ATOM 0 H ASN A 68 -11.568 -0.757 -3.910 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.577 0.726 -2.661 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -15.465 0.384 -4.211 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.259 1.451 -4.903 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -15.451 -1.288 -7.323 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -16.330 -0.247 -6.199 1.00 0.00 H new ATOM 1086 N VAL A 69 -12.956 -1.872 -2.075 1.00 0.00 N ATOM 1087 CA VAL A 69 -13.146 -3.205 -1.517 1.00 0.00 C ATOM 1088 C VAL A 69 -12.795 -3.238 -0.034 1.00 0.00 C ATOM 1089 O VAL A 69 -11.918 -2.503 0.423 1.00 0.00 O ATOM 1090 CB VAL A 69 -12.290 -4.250 -2.257 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -12.746 -4.389 -3.701 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -10.816 -3.879 -2.190 1.00 0.00 C ATOM 0 H VAL A 69 -12.151 -1.369 -1.702 1.00 0.00 H new ATOM 0 HA VAL A 69 -14.200 -3.452 -1.643 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.421 -5.213 -1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.129 -5.132 -4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.789 -4.706 -3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.647 -3.429 -4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.228 -4.629 -2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.664 -2.905 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.498 -3.837 -1.148 1.00 0.00 H new ATOM 1102 N GLU A 70 -13.484 -4.093 0.715 1.00 0.00 N ATOM 1103 CA GLU A 70 -13.242 -4.221 2.147 1.00 0.00 C ATOM 1104 C GLU A 70 -12.051 -5.135 2.417 1.00 0.00 C ATOM 1105 O GLU A 70 -11.729 -6.007 1.609 1.00 0.00 O ATOM 1106 CB GLU A 70 -14.488 -4.756 2.855 1.00 0.00 C ATOM 1107 CG GLU A 70 -14.899 -6.147 2.403 1.00 0.00 C ATOM 1108 CD GLU A 70 -16.393 -6.377 2.505 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -17.157 -5.594 1.901 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -16.802 -7.337 3.191 1.00 0.00 O ATOM 0 H GLU A 70 -14.214 -4.707 0.354 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.012 -3.231 2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.305 -4.772 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.316 -4.068 2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.582 -6.298 1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.379 -6.890 3.008 1.00 0.00 H new ATOM 1117 N HIS A 71 -11.397 -4.925 3.556 1.00 0.00 N ATOM 1118 CA HIS A 71 -10.235 -5.722 3.940 1.00 0.00 C ATOM 1119 C HIS A 71 -10.490 -7.217 3.746 1.00 0.00 C ATOM 1120 O HIS A 71 -9.599 -7.957 3.334 1.00 0.00 O ATOM 1121 CB HIS A 71 -9.864 -5.443 5.398 1.00 0.00 C ATOM 1122 CG HIS A 71 -8.647 -6.183 5.862 1.00 0.00 C ATOM 1123 ND1 HIS A 71 -8.517 -7.234 6.704 1.00 0.00 N flip ATOM 1124 CD2 HIS A 71 -7.369 -5.862 5.455 1.00 0.00 C flip ATOM 1125 CE1 HIS A 71 -7.178 -7.525 6.791 1.00 0.00 C flip ATOM 1126 NE2 HIS A 71 -6.507 -6.683 6.026 1.00 0.00 N flip ATOM 0 H HIS A 71 -11.653 -4.206 4.232 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.407 -5.435 3.292 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -9.697 -4.373 5.523 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -10.706 -5.711 6.036 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -9.274 -7.720 7.185 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.113 -5.063 4.775 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.744 -8.314 7.388 1.00 0.00 H new ATOM 1135 N ALA A 72 -11.708 -7.652 4.052 1.00 0.00 N ATOM 1136 CA ALA A 72 -12.073 -9.058 3.915 1.00 0.00 C ATOM 1137 C ALA A 72 -12.026 -9.506 2.458 1.00 0.00 C ATOM 1138 O ALA A 72 -11.408 -10.519 2.129 1.00 0.00 O ATOM 1139 CB ALA A 72 -13.456 -9.301 4.499 1.00 0.00 C ATOM 0 H ALA A 72 -12.458 -7.052 4.396 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.344 -9.650 4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.717 -10.354 4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.457 -9.034 5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.187 -8.690 3.970 1.00 0.00 H new ATOM 1145 N PHE A 73 -12.684 -8.745 1.588 1.00 0.00 N ATOM 1146 CA PHE A 73 -12.719 -9.066 0.165 1.00 0.00 C ATOM 1147 C PHE A 73 -11.316 -9.053 -0.431 1.00 0.00 C ATOM 1148 O PHE A 73 -11.009 -9.824 -1.339 1.00 0.00 O ATOM 1149 CB PHE A 73 -13.611 -8.073 -0.582 1.00 0.00 C ATOM 1150 CG PHE A 73 -15.038 -8.526 -0.708 1.00 0.00 C ATOM 1151 CD1 PHE A 73 -15.335 -9.822 -1.100 1.00 0.00 C ATOM 1152 CD2 PHE A 73 -16.082 -7.656 -0.435 1.00 0.00 C ATOM 1153 CE1 PHE A 73 -16.646 -10.241 -1.217 1.00 0.00 C ATOM 1154 CE2 PHE A 73 -17.395 -8.070 -0.551 1.00 0.00 C ATOM 1155 CZ PHE A 73 -17.678 -9.364 -0.942 1.00 0.00 C ATOM 0 H PHE A 73 -13.200 -7.903 1.843 1.00 0.00 H new ATOM 0 HA PHE A 73 -13.132 -10.069 0.055 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.587 -7.114 -0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -13.201 -7.907 -1.578 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.533 -10.512 -1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -15.867 -6.643 -0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -16.864 -11.253 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -18.199 -7.382 -0.336 1.00 0.00 H new ATOM 0 HZ PHE A 73 -18.704 -9.690 -1.033 1.00 0.00 H new ATOM 1165 N ALA A 74 -10.471 -8.167 0.083 1.00 0.00 N ATOM 1166 CA ALA A 74 -9.101 -8.048 -0.400 1.00 0.00 C ATOM 1167 C ALA A 74 -8.250 -9.236 0.037 1.00 0.00 C ATOM 1168 O ALA A 74 -7.602 -9.883 -0.786 1.00 0.00 O ATOM 1169 CB ALA A 74 -8.483 -6.747 0.089 1.00 0.00 C ATOM 0 H ALA A 74 -10.711 -7.520 0.834 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.129 -8.042 -1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.460 -6.670 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.067 -5.905 -0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.479 -6.733 1.179 1.00 0.00 H new ATOM 1175 N VAL A 75 -8.248 -9.514 1.337 1.00 0.00 N ATOM 1176 CA VAL A 75 -7.467 -10.618 1.881 1.00 0.00 C ATOM 1177 C VAL A 75 -7.870 -11.949 1.252 1.00 0.00 C ATOM 1178 O VAL A 75 -7.019 -12.788 0.955 1.00 0.00 O ATOM 1179 CB VAL A 75 -7.614 -10.715 3.414 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -9.059 -10.987 3.804 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -6.692 -11.787 3.974 1.00 0.00 C ATOM 0 H VAL A 75 -8.779 -8.990 2.033 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.425 -10.411 1.639 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.324 -9.757 3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.137 -11.051 4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.692 -10.177 3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.385 -11.928 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.811 -11.840 5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.946 -12.751 3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.658 -11.539 3.734 1.00 0.00 H new ATOM 1191 N GLN A 76 -9.170 -12.141 1.052 1.00 0.00 N ATOM 1192 CA GLN A 76 -9.673 -13.375 0.460 1.00 0.00 C ATOM 1193 C GLN A 76 -9.236 -13.505 -0.997 1.00 0.00 C ATOM 1194 O GLN A 76 -9.101 -14.613 -1.516 1.00 0.00 O ATOM 1195 CB GLN A 76 -11.199 -13.426 0.553 1.00 0.00 C ATOM 1196 CG GLN A 76 -11.897 -12.378 -0.297 1.00 0.00 C ATOM 1197 CD GLN A 76 -13.380 -12.650 -0.459 1.00 0.00 C ATOM 1198 OE1 GLN A 76 -14.160 -12.477 0.477 1.00 0.00 O ATOM 1199 NE2 GLN A 76 -13.776 -13.079 -1.651 1.00 0.00 N ATOM 0 H GLN A 76 -9.892 -11.461 1.290 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.252 -14.210 1.020 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.540 -14.415 0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.496 -13.294 1.594 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.759 -11.397 0.157 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.429 -12.343 -1.281 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -13.094 -13.208 -2.399 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -14.762 -13.279 -1.819 1.00 0.00 H new ATOM 1208 N GLN A 77 -9.020 -12.369 -1.653 1.00 0.00 N ATOM 1209 CA GLN A 77 -8.604 -12.364 -3.052 1.00 0.00 C ATOM 1210 C GLN A 77 -7.168 -12.861 -3.199 1.00 0.00 C ATOM 1211 O GLN A 77 -6.889 -13.742 -4.012 1.00 0.00 O ATOM 1212 CB GLN A 77 -8.733 -10.955 -3.637 1.00 0.00 C ATOM 1213 CG GLN A 77 -9.823 -10.833 -4.688 1.00 0.00 C ATOM 1214 CD GLN A 77 -11.171 -11.318 -4.189 1.00 0.00 C ATOM 1215 OE1 GLN A 77 -11.908 -10.577 -3.538 1.00 0.00 O ATOM 1216 NE2 GLN A 77 -11.499 -12.569 -4.494 1.00 0.00 N ATOM 0 H GLN A 77 -9.126 -11.442 -1.240 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.258 -13.041 -3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.938 -10.252 -2.829 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.780 -10.665 -4.078 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.908 -9.792 -4.999 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.538 -11.407 -5.570 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.857 -13.147 -5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.393 -12.951 -4.186 1.00 0.00 H new ATOM 1225 N LEU A 78 -6.263 -12.295 -2.409 1.00 0.00 N ATOM 1226 CA LEU A 78 -4.858 -12.688 -2.457 1.00 0.00 C ATOM 1227 C LEU A 78 -4.655 -14.064 -1.829 1.00 0.00 C ATOM 1228 O LEU A 78 -3.763 -14.813 -2.226 1.00 0.00 O ATOM 1229 CB LEU A 78 -3.980 -11.653 -1.746 1.00 0.00 C ATOM 1230 CG LEU A 78 -4.541 -11.113 -0.426 1.00 0.00 C ATOM 1231 CD1 LEU A 78 -3.544 -11.318 0.706 1.00 0.00 C ATOM 1232 CD2 LEU A 78 -4.899 -9.640 -0.561 1.00 0.00 C ATOM 0 H LEU A 78 -6.475 -11.565 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.562 -12.738 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.005 -12.100 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.816 -10.814 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.448 -11.668 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.962 -10.928 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.337 -12.382 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.618 -10.791 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.296 -9.274 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.007 -9.072 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.651 -9.518 -1.341 1.00 0.00 H new ATOM 1244 N ARG A 79 -5.490 -14.390 -0.848 1.00 0.00 N ATOM 1245 CA ARG A 79 -5.402 -15.677 -0.167 1.00 0.00 C ATOM 1246 C ARG A 79 -5.775 -16.819 -1.106 1.00 0.00 C ATOM 1247 O ARG A 79 -5.319 -17.950 -0.938 1.00 0.00 O ATOM 1248 CB ARG A 79 -6.317 -15.692 1.060 1.00 0.00 C ATOM 1249 CG ARG A 79 -6.149 -16.927 1.931 1.00 0.00 C ATOM 1250 CD ARG A 79 -4.936 -16.807 2.841 1.00 0.00 C ATOM 1251 NE ARG A 79 -5.051 -17.661 4.021 1.00 0.00 N ATOM 1252 CZ ARG A 79 -4.045 -17.909 4.856 1.00 0.00 C ATOM 1253 NH1 ARG A 79 -2.849 -17.372 4.645 1.00 0.00 N ATOM 1254 NH2 ARG A 79 -4.234 -18.696 5.906 1.00 0.00 N ATOM 0 H ARG A 79 -6.234 -13.782 -0.507 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.370 -15.818 0.154 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.119 -14.804 1.661 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.354 -15.629 0.730 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.045 -17.072 2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.045 -17.808 1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.038 -17.076 2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.819 -15.770 3.154 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.955 -18.092 4.216 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.697 -16.765 3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.082 -17.566 5.289 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.150 -19.111 6.074 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.463 -18.886 6.546 1.00 0.00 H new ATOM 1268 N LYS A 80 -6.610 -16.518 -2.098 1.00 0.00 N ATOM 1269 CA LYS A 80 -7.044 -17.521 -3.063 1.00 0.00 C ATOM 1270 C LYS A 80 -5.866 -18.041 -3.883 1.00 0.00 C ATOM 1271 O LYS A 80 -5.913 -19.148 -4.419 1.00 0.00 O ATOM 1272 CB LYS A 80 -8.107 -16.935 -3.994 1.00 0.00 C ATOM 1273 CG LYS A 80 -9.484 -16.839 -3.359 1.00 0.00 C ATOM 1274 CD LYS A 80 -10.306 -18.094 -3.613 1.00 0.00 C ATOM 1275 CE LYS A 80 -10.882 -18.656 -2.321 1.00 0.00 C ATOM 1276 NZ LYS A 80 -9.945 -19.608 -1.664 1.00 0.00 N ATOM 0 H LYS A 80 -6.998 -15.588 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.472 -18.357 -2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -7.792 -15.941 -4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.172 -17.551 -4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.380 -16.682 -2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.010 -15.972 -3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.117 -17.865 -4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.682 -18.848 -4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.107 -17.837 -1.637 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.824 -19.162 -2.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.429 -20.083 -0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.631 -20.319 -2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.120 -19.089 -1.302 1.00 0.00 H new ATOM 1290 N SER A 81 -4.811 -17.237 -3.979 1.00 0.00 N ATOM 1291 CA SER A 81 -3.624 -17.622 -4.736 1.00 0.00 C ATOM 1292 C SER A 81 -3.026 -18.916 -4.193 1.00 0.00 C ATOM 1293 O SER A 81 -3.026 -19.943 -4.871 1.00 0.00 O ATOM 1294 CB SER A 81 -2.580 -16.504 -4.691 1.00 0.00 C ATOM 1295 OG SER A 81 -3.080 -15.317 -5.281 1.00 0.00 O ATOM 0 H SER A 81 -4.754 -16.317 -3.543 1.00 0.00 H new ATOM 0 HA SER A 81 -3.923 -17.789 -5.771 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.296 -16.308 -3.657 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.678 -16.822 -5.214 1.00 0.00 H new ATOM 0 HG SER A 81 -3.522 -14.773 -4.597 1.00 0.00 H new ATOM 1301 N GLY A 82 -2.520 -18.861 -2.966 1.00 0.00 N ATOM 1302 CA GLY A 82 -1.928 -20.037 -2.357 1.00 0.00 C ATOM 1303 C GLY A 82 -0.422 -20.080 -2.519 1.00 0.00 C ATOM 1304 O GLY A 82 0.295 -20.512 -1.616 1.00 0.00 O ATOM 0 H GLY A 82 -2.509 -18.024 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.177 -20.057 -1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.364 -20.931 -2.803 1.00 0.00 H new ATOM 1308 N LYS A 83 0.059 -19.632 -3.675 1.00 0.00 N ATOM 1309 CA LYS A 83 1.489 -19.623 -3.953 1.00 0.00 C ATOM 1310 C LYS A 83 1.796 -18.818 -5.212 1.00 0.00 C ATOM 1311 O LYS A 83 2.741 -19.123 -5.939 1.00 0.00 O ATOM 1312 CB LYS A 83 2.007 -21.055 -4.107 1.00 0.00 C ATOM 1313 CG LYS A 83 3.291 -21.324 -3.339 1.00 0.00 C ATOM 1314 CD LYS A 83 4.292 -22.104 -4.177 1.00 0.00 C ATOM 1315 CE LYS A 83 5.292 -22.844 -3.304 1.00 0.00 C ATOM 1316 NZ LYS A 83 6.330 -23.539 -4.114 1.00 0.00 N ATOM 0 H LYS A 83 -0.521 -19.271 -4.433 1.00 0.00 H new ATOM 0 HA LYS A 83 1.995 -19.149 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.238 -21.749 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.176 -21.259 -5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.735 -20.378 -3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.062 -21.882 -2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.762 -22.816 -4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.822 -21.421 -4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.773 -22.139 -2.626 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.766 -23.572 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.992 -24.031 -3.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.874 -24.230 -4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.850 -22.842 -4.684 1.00 0.00 H new ATOM 1330 N ASN A 84 0.992 -17.788 -5.464 1.00 0.00 N ATOM 1331 CA ASN A 84 1.181 -16.942 -6.637 1.00 0.00 C ATOM 1332 C ASN A 84 0.129 -15.838 -6.688 1.00 0.00 C ATOM 1333 O ASN A 84 -0.785 -15.873 -7.511 1.00 0.00 O ATOM 1334 CB ASN A 84 1.119 -17.781 -7.916 1.00 0.00 C ATOM 1335 CG ASN A 84 -0.166 -18.581 -8.020 1.00 0.00 C ATOM 1336 OD1 ASN A 84 -0.835 -18.837 -7.019 1.00 0.00 O ATOM 1337 ND2 ASN A 84 -0.515 -18.982 -9.237 1.00 0.00 N ATOM 0 H ASN A 84 0.205 -17.520 -4.872 1.00 0.00 H new ATOM 0 HA ASN A 84 2.165 -16.479 -6.563 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.207 -17.125 -8.782 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.971 -18.461 -7.943 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -1.368 -19.525 -9.370 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.070 -18.747 -10.039 1.00 0.00 H new ATOM 1344 N ALA A 85 0.266 -14.856 -5.802 1.00 0.00 N ATOM 1345 CA ALA A 85 -0.671 -13.741 -5.749 1.00 0.00 C ATOM 1346 C ALA A 85 -0.071 -12.496 -6.392 1.00 0.00 C ATOM 1347 O ALA A 85 0.966 -11.999 -5.953 1.00 0.00 O ATOM 1348 CB ALA A 85 -1.070 -13.456 -4.309 1.00 0.00 C ATOM 0 H ALA A 85 1.016 -14.811 -5.112 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.563 -14.016 -6.312 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.770 -12.621 -4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.544 -14.340 -3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.183 -13.203 -3.729 1.00 0.00 H new ATOM 1354 N LYS A 86 -0.726 -11.996 -7.436 1.00 0.00 N ATOM 1355 CA LYS A 86 -0.246 -10.811 -8.136 1.00 0.00 C ATOM 1356 C LYS A 86 -0.942 -9.551 -7.627 1.00 0.00 C ATOM 1357 O LYS A 86 -2.158 -9.531 -7.439 1.00 0.00 O ATOM 1358 CB LYS A 86 -0.446 -10.967 -9.651 1.00 0.00 C ATOM 1359 CG LYS A 86 -1.778 -10.437 -10.163 1.00 0.00 C ATOM 1360 CD LYS A 86 -2.235 -11.184 -11.406 1.00 0.00 C ATOM 1361 CE LYS A 86 -1.681 -10.550 -12.673 1.00 0.00 C ATOM 1362 NZ LYS A 86 -2.638 -10.651 -13.811 1.00 0.00 N ATOM 0 H LYS A 86 -1.587 -12.392 -7.814 1.00 0.00 H new ATOM 0 HA LYS A 86 0.820 -10.707 -7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.361 -10.448 -10.168 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.364 -12.023 -9.910 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.533 -10.532 -9.382 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.685 -9.375 -10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.912 -12.223 -11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.324 -11.191 -11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.452 -9.501 -12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.744 -11.037 -12.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.222 -10.207 -14.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.837 -11.652 -14.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.523 -10.164 -13.564 1.00 0.00 H new ATOM 1376 N ILE A 87 -0.156 -8.502 -7.405 1.00 0.00 N ATOM 1377 CA ILE A 87 -0.691 -7.237 -6.918 1.00 0.00 C ATOM 1378 C ILE A 87 -0.191 -6.067 -7.758 1.00 0.00 C ATOM 1379 O ILE A 87 1.003 -5.954 -8.038 1.00 0.00 O ATOM 1380 CB ILE A 87 -0.306 -6.997 -5.445 1.00 0.00 C ATOM 1381 CG1 ILE A 87 -0.676 -8.213 -4.594 1.00 0.00 C ATOM 1382 CG2 ILE A 87 -0.988 -5.743 -4.915 1.00 0.00 C ATOM 1383 CD1 ILE A 87 0.017 -8.242 -3.249 1.00 0.00 C ATOM 0 H ILE A 87 0.853 -8.504 -7.555 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.776 -7.300 -6.999 1.00 0.00 H new ATOM 0 HB ILE A 87 0.773 -6.851 -5.386 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.755 -8.223 -4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.425 -9.121 -5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.706 -5.588 -3.874 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.678 -4.882 -5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.069 -5.860 -4.984 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.292 -9.131 -2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.097 -8.264 -3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.254 -7.352 -2.681 1.00 0.00 H new ATOM 1395 N THR A 88 -1.112 -5.191 -8.147 1.00 0.00 N ATOM 1396 CA THR A 88 -0.766 -4.021 -8.945 1.00 0.00 C ATOM 1397 C THR A 88 -0.636 -2.794 -8.051 1.00 0.00 C ATOM 1398 O THR A 88 -1.595 -2.393 -7.391 1.00 0.00 O ATOM 1399 CB THR A 88 -1.829 -3.776 -10.019 1.00 0.00 C ATOM 1400 OG1 THR A 88 -2.560 -4.961 -10.279 1.00 0.00 O ATOM 1401 CG2 THR A 88 -1.252 -3.295 -11.333 1.00 0.00 C ATOM 0 H THR A 88 -2.104 -5.270 -7.922 1.00 0.00 H new ATOM 0 HA THR A 88 0.191 -4.205 -9.434 1.00 0.00 H new ATOM 0 HB THR A 88 -2.473 -2.994 -9.616 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.139 -5.163 -9.514 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.059 -3.141 -12.050 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.722 -2.356 -11.176 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.559 -4.042 -11.721 1.00 0.00 H new ATOM 1409 N ILE A 89 0.555 -2.205 -8.020 1.00 0.00 N ATOM 1410 CA ILE A 89 0.796 -1.030 -7.188 1.00 0.00 C ATOM 1411 C ILE A 89 1.548 0.053 -7.951 1.00 0.00 C ATOM 1412 O ILE A 89 2.156 -0.212 -8.988 1.00 0.00 O ATOM 1413 CB ILE A 89 1.594 -1.395 -5.922 1.00 0.00 C ATOM 1414 CG1 ILE A 89 2.827 -2.223 -6.291 1.00 0.00 C ATOM 1415 CG2 ILE A 89 0.714 -2.153 -4.940 1.00 0.00 C ATOM 1416 CD1 ILE A 89 3.945 -1.405 -6.900 1.00 0.00 C ATOM 0 H ILE A 89 1.364 -2.519 -8.557 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.183 -0.647 -6.900 1.00 0.00 H new ATOM 0 HB ILE A 89 1.928 -0.474 -5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.199 -2.723 -5.397 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.534 -3.003 -6.994 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.293 -2.403 -4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.135 -1.531 -4.657 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.352 -3.069 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.786 -2.057 -7.136 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.590 -0.926 -7.812 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.266 -0.642 -6.191 1.00 0.00 H new ATOM 1428 N ARG A 90 1.507 1.277 -7.427 1.00 0.00 N ATOM 1429 CA ARG A 90 2.190 2.396 -8.061 1.00 0.00 C ATOM 1430 C ARG A 90 3.093 3.127 -7.075 1.00 0.00 C ATOM 1431 O ARG A 90 2.761 3.267 -5.897 1.00 0.00 O ATOM 1432 CB ARG A 90 1.184 3.380 -8.662 1.00 0.00 C ATOM 1433 CG ARG A 90 0.071 2.715 -9.450 1.00 0.00 C ATOM 1434 CD ARG A 90 -1.203 2.595 -8.633 1.00 0.00 C ATOM 1435 NE ARG A 90 -1.769 3.900 -8.304 1.00 0.00 N ATOM 1436 CZ ARG A 90 -2.687 4.094 -7.360 1.00 0.00 C ATOM 1437 NH1 ARG A 90 -3.142 3.071 -6.647 1.00 0.00 N ATOM 1438 NH2 ARG A 90 -3.152 5.314 -7.126 1.00 0.00 N ATOM 0 H ARG A 90 1.010 1.515 -6.569 1.00 0.00 H new ATOM 0 HA ARG A 90 2.808 1.986 -8.860 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.744 3.971 -7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.714 4.073 -9.315 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.129 3.291 -10.353 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.393 1.724 -9.769 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.937 2.012 -9.190 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.993 2.049 -7.713 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.442 4.711 -8.829 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.788 2.130 -6.821 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.846 3.226 -5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.806 6.105 -7.670 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.856 5.462 -6.402 1.00 0.00 H new ATOM 1452 N ARG A 91 4.234 3.598 -7.569 1.00 0.00 N ATOM 1453 CA ARG A 91 5.188 4.321 -6.739 1.00 0.00 C ATOM 1454 C ARG A 91 5.936 5.372 -7.553 1.00 0.00 C ATOM 1455 O ARG A 91 5.988 5.301 -8.781 1.00 0.00 O ATOM 1456 CB ARG A 91 6.184 3.352 -6.101 1.00 0.00 C ATOM 1457 CG ARG A 91 7.155 2.727 -7.090 1.00 0.00 C ATOM 1458 CD ARG A 91 6.458 1.738 -8.009 1.00 0.00 C ATOM 1459 NE ARG A 91 7.387 0.754 -8.557 1.00 0.00 N ATOM 1460 CZ ARG A 91 7.177 0.084 -9.687 1.00 0.00 C ATOM 1461 NH1 ARG A 91 6.067 0.280 -10.387 1.00 0.00 N ATOM 1462 NH2 ARG A 91 8.078 -0.789 -10.118 1.00 0.00 N ATOM 0 H ARG A 91 4.520 3.491 -8.542 1.00 0.00 H new ATOM 0 HA ARG A 91 4.629 4.827 -5.952 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.751 3.881 -5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.632 2.558 -5.598 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.623 3.511 -7.686 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.953 2.220 -6.547 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.669 1.225 -7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.978 2.278 -8.825 1.00 0.00 H new ATOM 0 HE ARG A 91 8.248 0.569 -8.043 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.369 0.948 -10.060 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.912 -0.237 -11.253 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.932 -0.947 -9.583 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.917 -1.303 -10.984 1.00 0.00 H new