USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=13 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 65 SER OG : rot -134:sc= 0.407 USER MOD Set 1.2: A 68 ASN : amide:sc= 0.345 K(o=0.75,f=-2.2) USER MOD Set 2.1: A 22 SER OG : rot -110:sc= 0.0538 USER MOD Set 2.2: A 40 SER OG : rot 130:sc= 0.954 USER MOD Set 3.1: A 6 THR OG1 : rot -150:sc= 0 USER MOD Set 3.2: A 88 THR OG1 : rot 66:sc= 0.685 USER MOD Single : A 4 GLN : amide:sc= -0.226 K(o=-0.23,f=-2.5!) USER MOD Single : A 5 HIS : no HD1:sc= -0.968 K(o=-0.97,f=-2.5) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.485 K(o=-0.49,f=-1.2) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.07 X(o=-0.07,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.0484 X(o=-0.048,f=-0.32) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl -171:sc= 0 (180deg=-0.0774) USER MOD Single : A 62 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.4!) USER MOD Single : A 66 MET CE :methyl 175:sc= -9.35! (180deg=-10.2!) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.309 F(o=-0.98,f=-0.31) USER MOD Single : A 76 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.8!) USER MOD Single : A 77 GLN : amide:sc= -0.26 K(o=-0.26,f=-0.79) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -86:sc= 0.416 USER MOD Single : A 83 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00217) USER MOD Single : A 84 ASN :FLIP amide:sc= -1.92 F(o=-2.6,f=-1.9) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 3 3.227 5.559 -11.553 1.00 0.00 N ATOM 135 CA GLU A 3 2.987 4.517 -12.545 1.00 0.00 C ATOM 136 C GLU A 3 2.490 3.245 -11.866 1.00 0.00 C ATOM 137 O GLU A 3 2.822 2.985 -10.714 1.00 0.00 O ATOM 138 CB GLU A 3 4.265 4.226 -13.333 1.00 0.00 C ATOM 139 CG GLU A 3 4.417 5.078 -14.583 1.00 0.00 C ATOM 140 CD GLU A 3 3.221 4.973 -15.507 1.00 0.00 C ATOM 141 OE1 GLU A 3 2.763 3.839 -15.761 1.00 0.00 O ATOM 142 OE2 GLU A 3 2.741 6.025 -15.979 1.00 0.00 O ATOM 0 HA GLU A 3 2.222 4.869 -13.237 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.126 4.389 -12.685 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.275 3.174 -13.617 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.558 6.119 -14.294 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.315 4.772 -15.120 1.00 0.00 H new ATOM 149 N GLN A 4 1.685 2.463 -12.579 1.00 0.00 N ATOM 150 CA GLN A 4 1.135 1.230 -12.025 1.00 0.00 C ATOM 151 C GLN A 4 1.799 -0.005 -12.625 1.00 0.00 C ATOM 152 O GLN A 4 1.849 -0.169 -13.843 1.00 0.00 O ATOM 153 CB GLN A 4 -0.373 1.170 -12.281 1.00 0.00 C ATOM 154 CG GLN A 4 -1.089 0.096 -11.480 1.00 0.00 C ATOM 155 CD GLN A 4 -2.443 -0.258 -12.063 1.00 0.00 C ATOM 156 OE1 GLN A 4 -3.482 0.129 -11.528 1.00 0.00 O ATOM 157 NE2 GLN A 4 -2.438 -0.998 -13.165 1.00 0.00 N ATOM 0 H GLN A 4 1.400 2.660 -13.538 1.00 0.00 H new ATOM 0 HA GLN A 4 1.332 1.235 -10.953 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.811 2.140 -12.044 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.545 0.993 -13.343 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.468 -0.799 -11.442 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.217 0.438 -10.453 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.553 -1.297 -13.575 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.319 -1.268 -13.602 1.00 0.00 H new ATOM 166 N HIS A 5 2.294 -0.878 -11.750 1.00 0.00 N ATOM 167 CA HIS A 5 2.945 -2.113 -12.173 1.00 0.00 C ATOM 168 C HIS A 5 2.367 -3.308 -11.426 1.00 0.00 C ATOM 169 O HIS A 5 2.120 -3.238 -10.219 1.00 0.00 O ATOM 170 CB HIS A 5 4.453 -2.046 -11.927 1.00 0.00 C ATOM 171 CG HIS A 5 5.223 -1.414 -13.045 1.00 0.00 C ATOM 172 ND1 HIS A 5 6.596 -1.272 -13.027 1.00 0.00 N ATOM 173 CD2 HIS A 5 4.809 -0.891 -14.223 1.00 0.00 C ATOM 174 CE1 HIS A 5 6.991 -0.687 -14.144 1.00 0.00 C ATOM 175 NE2 HIS A 5 5.927 -0.446 -14.886 1.00 0.00 N ATOM 0 H HIS A 5 2.255 -0.750 -10.739 1.00 0.00 H new ATOM 0 HA HIS A 5 2.763 -2.233 -13.241 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.637 -1.486 -11.010 1.00 0.00 H new ATOM 0 HB3 HIS A 5 4.830 -3.056 -11.765 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.790 -0.834 -14.576 1.00 0.00 H new ATOM 0 HE1 HIS A 5 8.011 -0.447 -14.405 1.00 0.00 H new ATOM 0 HE2 HIS A 5 5.933 -0.001 -15.804 1.00 0.00 H new ATOM 184 N THR A 6 2.160 -4.406 -12.144 1.00 0.00 N ATOM 185 CA THR A 6 1.623 -5.617 -11.541 1.00 0.00 C ATOM 186 C THR A 6 2.704 -6.687 -11.436 1.00 0.00 C ATOM 187 O THR A 6 3.210 -7.174 -12.447 1.00 0.00 O ATOM 188 CB THR A 6 0.443 -6.143 -12.361 1.00 0.00 C ATOM 189 OG1 THR A 6 -0.153 -7.258 -11.724 1.00 0.00 O ATOM 190 CG2 THR A 6 0.829 -6.566 -13.762 1.00 0.00 C ATOM 0 H THR A 6 2.356 -4.481 -13.142 1.00 0.00 H new ATOM 0 HA THR A 6 1.274 -5.374 -10.538 1.00 0.00 H new ATOM 0 HB THR A 6 -0.255 -5.309 -12.430 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.540 -7.853 -12.400 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.054 -6.929 -14.289 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.246 -5.713 -14.298 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.573 -7.361 -13.710 1.00 0.00 H new ATOM 198 N VAL A 7 3.054 -7.046 -10.206 1.00 0.00 N ATOM 199 CA VAL A 7 4.078 -8.057 -9.968 1.00 0.00 C ATOM 200 C VAL A 7 3.477 -9.309 -9.335 1.00 0.00 C ATOM 201 O VAL A 7 2.484 -9.235 -8.612 1.00 0.00 O ATOM 202 CB VAL A 7 5.198 -7.521 -9.056 1.00 0.00 C ATOM 203 CG1 VAL A 7 6.330 -8.530 -8.946 1.00 0.00 C ATOM 204 CG2 VAL A 7 5.713 -6.185 -9.570 1.00 0.00 C ATOM 0 H VAL A 7 2.644 -6.653 -9.359 1.00 0.00 H new ATOM 0 HA VAL A 7 4.503 -8.311 -10.939 1.00 0.00 H new ATOM 0 HB VAL A 7 4.784 -7.366 -8.060 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.111 -8.132 -8.298 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.948 -9.460 -8.525 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.744 -8.722 -9.936 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.503 -5.823 -8.913 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.108 -6.311 -10.578 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.897 -5.463 -9.588 1.00 0.00 H new ATOM 214 N THR A 8 4.086 -10.459 -9.615 1.00 0.00 N ATOM 215 CA THR A 8 3.613 -11.729 -9.076 1.00 0.00 C ATOM 216 C THR A 8 4.552 -12.246 -7.991 1.00 0.00 C ATOM 217 O THR A 8 5.695 -12.610 -8.267 1.00 0.00 O ATOM 218 CB THR A 8 3.488 -12.767 -10.194 1.00 0.00 C ATOM 219 OG1 THR A 8 2.854 -12.205 -11.330 1.00 0.00 O ATOM 220 CG2 THR A 8 2.701 -13.993 -9.787 1.00 0.00 C ATOM 0 H THR A 8 4.909 -10.536 -10.213 1.00 0.00 H new ATOM 0 HA THR A 8 2.632 -11.562 -8.632 1.00 0.00 H new ATOM 0 HB THR A 8 4.509 -13.072 -10.422 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.785 -12.883 -12.035 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.651 -14.688 -10.625 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.193 -14.477 -8.943 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.692 -13.698 -9.499 1.00 0.00 H new ATOM 228 N LEU A 9 4.062 -12.278 -6.754 1.00 0.00 N ATOM 229 CA LEU A 9 4.859 -12.753 -5.630 1.00 0.00 C ATOM 230 C LEU A 9 4.393 -14.134 -5.177 1.00 0.00 C ATOM 231 O LEU A 9 3.259 -14.300 -4.725 1.00 0.00 O ATOM 232 CB LEU A 9 4.779 -11.766 -4.463 1.00 0.00 C ATOM 233 CG LEU A 9 4.866 -10.290 -4.857 1.00 0.00 C ATOM 234 CD1 LEU A 9 4.773 -9.404 -3.625 1.00 0.00 C ATOM 235 CD2 LEU A 9 6.155 -10.017 -5.616 1.00 0.00 C ATOM 0 H LEU A 9 3.118 -11.981 -6.507 1.00 0.00 H new ATOM 0 HA LEU A 9 5.895 -12.829 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.841 -11.930 -3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.585 -11.988 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 9 4.026 -10.057 -5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.837 -8.358 -3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.823 -9.580 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.593 -9.638 -2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.200 -8.963 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.008 -10.266 -4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.181 -10.627 -6.519 1.00 0.00 H new ATOM 247 N HIS A 10 5.274 -15.119 -5.300 1.00 0.00 N ATOM 248 CA HIS A 10 4.954 -16.485 -4.900 1.00 0.00 C ATOM 249 C HIS A 10 4.727 -16.568 -3.394 1.00 0.00 C ATOM 250 O HIS A 10 5.639 -16.323 -2.605 1.00 0.00 O ATOM 251 CB HIS A 10 6.078 -17.436 -5.312 1.00 0.00 C ATOM 252 CG HIS A 10 7.435 -16.990 -4.862 1.00 0.00 C ATOM 253 ND1 HIS A 10 8.243 -16.165 -5.614 1.00 0.00 N ATOM 254 CD2 HIS A 10 8.124 -17.258 -3.727 1.00 0.00 C ATOM 255 CE1 HIS A 10 9.372 -15.945 -4.962 1.00 0.00 C ATOM 256 NE2 HIS A 10 9.324 -16.596 -3.814 1.00 0.00 N ATOM 0 H HIS A 10 6.216 -14.998 -5.673 1.00 0.00 H new ATOM 0 HA HIS A 10 4.035 -16.781 -5.406 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.875 -18.425 -4.901 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.079 -17.536 -6.397 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.792 -17.877 -2.907 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.194 -15.336 -5.309 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.059 -16.606 -3.107 1.00 0.00 H new ATOM 265 N ARG A 11 3.505 -16.915 -3.003 1.00 0.00 N ATOM 266 CA ARG A 11 3.156 -17.028 -1.591 1.00 0.00 C ATOM 267 C ARG A 11 4.053 -18.042 -0.886 1.00 0.00 C ATOM 268 O ARG A 11 4.456 -19.044 -1.475 1.00 0.00 O ATOM 269 CB ARG A 11 1.689 -17.434 -1.437 1.00 0.00 C ATOM 270 CG ARG A 11 0.717 -16.281 -1.628 1.00 0.00 C ATOM 271 CD ARG A 11 -0.586 -16.524 -0.885 1.00 0.00 C ATOM 272 NE ARG A 11 -0.583 -15.908 0.440 1.00 0.00 N ATOM 273 CZ ARG A 11 -1.474 -16.187 1.389 1.00 0.00 C ATOM 274 NH1 ARG A 11 -2.438 -17.072 1.165 1.00 0.00 N ATOM 275 NH2 ARG A 11 -1.400 -15.581 2.567 1.00 0.00 N ATOM 0 H ARG A 11 2.739 -17.123 -3.644 1.00 0.00 H new ATOM 0 HA ARG A 11 3.307 -16.053 -1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.459 -18.216 -2.160 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.541 -17.863 -0.446 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.173 -15.357 -1.273 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.512 -16.148 -2.690 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.416 -16.125 -1.468 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.752 -17.597 -0.786 1.00 0.00 H new ATOM 0 HE ARG A 11 0.144 -15.224 0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.499 -17.542 0.262 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.118 -17.282 1.896 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.661 -14.901 2.745 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.083 -15.795 3.294 1.00 0.00 H new ATOM 289 N ALA A 12 4.361 -17.772 0.379 1.00 0.00 N ATOM 290 CA ALA A 12 5.209 -18.660 1.165 1.00 0.00 C ATOM 291 C ALA A 12 4.605 -18.923 2.543 1.00 0.00 C ATOM 292 O ALA A 12 4.116 -18.001 3.198 1.00 0.00 O ATOM 293 CB ALA A 12 6.604 -18.069 1.303 1.00 0.00 C ATOM 0 H ALA A 12 4.036 -16.946 0.881 1.00 0.00 H new ATOM 0 HA ALA A 12 5.278 -19.613 0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.227 -18.742 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.044 -17.939 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.542 -17.102 1.802 1.00 0.00 H new ATOM 299 N PRO A 13 4.631 -20.186 3.008 1.00 0.00 N ATOM 300 CA PRO A 13 4.082 -20.554 4.317 1.00 0.00 C ATOM 301 C PRO A 13 4.665 -19.709 5.444 1.00 0.00 C ATOM 302 O PRO A 13 5.729 -19.108 5.297 1.00 0.00 O ATOM 303 CB PRO A 13 4.493 -22.020 4.481 1.00 0.00 C ATOM 304 CG PRO A 13 4.683 -22.519 3.092 1.00 0.00 C ATOM 305 CD PRO A 13 5.195 -21.351 2.299 1.00 0.00 C ATOM 0 HA PRO A 13 3.005 -20.394 4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.410 -22.111 5.063 1.00 0.00 H new ATOM 0 HB3 PRO A 13 3.725 -22.590 5.005 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.391 -23.347 3.068 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.745 -22.890 2.679 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.285 -21.323 2.282 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.861 -21.391 1.262 1.00 0.00 H new ATOM 313 N GLY A 14 3.962 -19.667 6.572 1.00 0.00 N ATOM 314 CA GLY A 14 4.427 -18.893 7.706 1.00 0.00 C ATOM 315 C GLY A 14 3.997 -17.440 7.633 1.00 0.00 C ATOM 316 O GLY A 14 3.383 -16.920 8.564 1.00 0.00 O ATOM 0 H GLY A 14 3.079 -20.156 6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.045 -19.336 8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.515 -18.945 7.756 1.00 0.00 H new ATOM 320 N PHE A 15 4.320 -16.785 6.522 1.00 0.00 N ATOM 321 CA PHE A 15 3.963 -15.384 6.331 1.00 0.00 C ATOM 322 C PHE A 15 2.792 -15.250 5.364 1.00 0.00 C ATOM 323 O PHE A 15 1.682 -14.896 5.762 1.00 0.00 O ATOM 324 CB PHE A 15 5.165 -14.596 5.810 1.00 0.00 C ATOM 325 CG PHE A 15 6.167 -14.255 6.876 1.00 0.00 C ATOM 326 CD1 PHE A 15 5.848 -13.358 7.883 1.00 0.00 C ATOM 327 CD2 PHE A 15 7.426 -14.832 6.871 1.00 0.00 C ATOM 328 CE1 PHE A 15 6.767 -13.042 8.865 1.00 0.00 C ATOM 329 CE2 PHE A 15 8.350 -14.521 7.851 1.00 0.00 C ATOM 330 CZ PHE A 15 8.020 -13.624 8.849 1.00 0.00 C ATOM 0 H PHE A 15 4.828 -17.202 5.741 1.00 0.00 H new ATOM 0 HA PHE A 15 3.662 -14.976 7.296 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.659 -15.176 5.031 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.812 -13.675 5.347 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.870 -12.901 7.900 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.689 -15.533 6.093 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.506 -12.341 9.644 1.00 0.00 H new ATOM 0 HE2 PHE A 15 9.328 -14.978 7.837 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.740 -13.378 9.615 1.00 0.00 H new ATOM 340 N GLY A 16 3.046 -15.533 4.090 1.00 0.00 N ATOM 341 CA GLY A 16 2.001 -15.438 3.088 1.00 0.00 C ATOM 342 C GLY A 16 2.457 -14.711 1.839 1.00 0.00 C ATOM 343 O GLY A 16 3.072 -15.307 0.955 1.00 0.00 O ATOM 0 H GLY A 16 3.956 -15.826 3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.668 -16.440 2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.141 -14.919 3.513 1.00 0.00 H new ATOM 347 N PHE A 17 2.152 -13.419 1.764 1.00 0.00 N ATOM 348 CA PHE A 17 2.534 -12.609 0.610 1.00 0.00 C ATOM 349 C PHE A 17 3.810 -11.820 0.895 1.00 0.00 C ATOM 350 O PHE A 17 4.559 -11.485 -0.022 1.00 0.00 O ATOM 351 CB PHE A 17 1.403 -11.649 0.208 1.00 0.00 C ATOM 352 CG PHE A 17 0.296 -11.533 1.219 1.00 0.00 C ATOM 353 CD1 PHE A 17 -0.670 -12.521 1.324 1.00 0.00 C ATOM 354 CD2 PHE A 17 0.225 -10.438 2.066 1.00 0.00 C ATOM 355 CE1 PHE A 17 -1.688 -12.418 2.254 1.00 0.00 C ATOM 356 CE2 PHE A 17 -0.790 -10.330 2.997 1.00 0.00 C ATOM 357 CZ PHE A 17 -1.748 -11.321 3.091 1.00 0.00 C ATOM 0 H PHE A 17 1.642 -12.910 2.487 1.00 0.00 H new ATOM 0 HA PHE A 17 2.722 -13.290 -0.220 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.827 -10.660 0.037 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.980 -11.983 -0.739 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.627 -13.381 0.672 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.972 -9.661 1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.435 -13.194 2.326 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.835 -9.472 3.651 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.543 -11.238 3.818 1.00 0.00 H new ATOM 367 N GLY A 18 4.051 -11.524 2.168 1.00 0.00 N ATOM 368 CA GLY A 18 5.238 -10.778 2.543 1.00 0.00 C ATOM 369 C GLY A 18 4.912 -9.415 3.124 1.00 0.00 C ATOM 370 O GLY A 18 5.736 -8.815 3.814 1.00 0.00 O ATOM 0 H GLY A 18 3.446 -11.787 2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.808 -11.353 3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.875 -10.653 1.668 1.00 0.00 H new ATOM 374 N ILE A 19 3.710 -8.922 2.843 1.00 0.00 N ATOM 375 CA ILE A 19 3.281 -7.621 3.342 1.00 0.00 C ATOM 376 C ILE A 19 1.933 -7.721 4.047 1.00 0.00 C ATOM 377 O ILE A 19 1.284 -8.767 4.022 1.00 0.00 O ATOM 378 CB ILE A 19 3.179 -6.589 2.203 1.00 0.00 C ATOM 379 CG1 ILE A 19 2.373 -7.164 1.035 1.00 0.00 C ATOM 380 CG2 ILE A 19 4.566 -6.169 1.740 1.00 0.00 C ATOM 381 CD1 ILE A 19 1.515 -6.137 0.328 1.00 0.00 C ATOM 0 H ILE A 19 3.016 -9.404 2.272 1.00 0.00 H new ATOM 0 HA ILE A 19 4.036 -7.290 4.055 1.00 0.00 H new ATOM 0 HB ILE A 19 2.661 -5.707 2.579 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.060 -7.609 0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.734 -7.966 1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.476 -5.440 0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.109 -5.724 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.109 -7.042 1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.973 -6.615 -0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.804 -5.709 1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.150 -5.346 -0.073 1.00 0.00 H new ATOM 393 N ALA A 20 1.516 -6.626 4.676 1.00 0.00 N ATOM 394 CA ALA A 20 0.242 -6.592 5.386 1.00 0.00 C ATOM 395 C ALA A 20 -0.737 -5.642 4.706 1.00 0.00 C ATOM 396 O ALA A 20 -0.485 -4.441 4.603 1.00 0.00 O ATOM 397 CB ALA A 20 0.457 -6.186 6.836 1.00 0.00 C ATOM 0 H ALA A 20 2.041 -5.752 4.708 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.188 -7.593 5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.502 -6.165 7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.116 -6.906 7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.911 -5.196 6.873 1.00 0.00 H new ATOM 403 N ILE A 21 -1.853 -6.190 4.240 1.00 0.00 N ATOM 404 CA ILE A 21 -2.874 -5.398 3.564 1.00 0.00 C ATOM 405 C ILE A 21 -3.643 -4.522 4.549 1.00 0.00 C ATOM 406 O ILE A 21 -4.073 -4.989 5.605 1.00 0.00 O ATOM 407 CB ILE A 21 -3.867 -6.301 2.804 1.00 0.00 C ATOM 408 CG1 ILE A 21 -4.877 -5.454 2.027 1.00 0.00 C ATOM 409 CG2 ILE A 21 -4.583 -7.235 3.770 1.00 0.00 C ATOM 410 CD1 ILE A 21 -5.878 -6.274 1.243 1.00 0.00 C ATOM 0 H ILE A 21 -2.074 -7.183 4.318 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.356 -4.756 2.851 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.307 -6.906 2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.413 -4.812 2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.339 -4.800 1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.280 -7.865 3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.851 -7.863 4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.131 -6.647 4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.562 -5.608 0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.351 -6.897 0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.443 -6.909 1.926 1.00 0.00 H new ATOM 422 N SER A 22 -3.817 -3.253 4.194 1.00 0.00 N ATOM 423 CA SER A 22 -4.538 -2.312 5.043 1.00 0.00 C ATOM 424 C SER A 22 -5.542 -1.503 4.227 1.00 0.00 C ATOM 425 O SER A 22 -5.218 -1.000 3.151 1.00 0.00 O ATOM 426 CB SER A 22 -3.556 -1.372 5.748 1.00 0.00 C ATOM 427 OG SER A 22 -3.668 -1.480 7.156 1.00 0.00 O ATOM 0 H SER A 22 -3.468 -2.853 3.323 1.00 0.00 H new ATOM 0 HA SER A 22 -5.084 -2.882 5.794 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.537 -1.609 5.442 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.749 -0.344 5.443 1.00 0.00 H new ATOM 0 HG SER A 22 -4.066 -0.660 7.516 1.00 0.00 H new ATOM 433 N GLY A 23 -6.761 -1.382 4.744 1.00 0.00 N ATOM 434 CA GLY A 23 -7.790 -0.632 4.048 1.00 0.00 C ATOM 435 C GLY A 23 -9.155 -1.284 4.150 1.00 0.00 C ATOM 436 O GLY A 23 -9.362 -2.185 4.962 1.00 0.00 O ATOM 0 H GLY A 23 -7.054 -1.790 5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.841 0.376 4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.516 -0.534 2.998 1.00 0.00 H new ATOM 440 N GLY A 24 -10.090 -0.827 3.321 1.00 0.00 N ATOM 441 CA GLY A 24 -11.431 -1.381 3.335 1.00 0.00 C ATOM 442 C GLY A 24 -12.493 -0.335 3.052 1.00 0.00 C ATOM 443 O GLY A 24 -12.682 0.594 3.836 1.00 0.00 O ATOM 0 H GLY A 24 -9.942 -0.082 2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.501 -2.175 2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.623 -1.836 4.307 1.00 0.00 H new ATOM 447 N ARG A 25 -13.185 -0.485 1.926 1.00 0.00 N ATOM 448 CA ARG A 25 -14.230 0.457 1.541 1.00 0.00 C ATOM 449 C ARG A 25 -15.462 0.306 2.430 1.00 0.00 C ATOM 450 O ARG A 25 -16.137 1.287 2.742 1.00 0.00 O ATOM 451 CB ARG A 25 -14.614 0.253 0.072 1.00 0.00 C ATOM 452 CG ARG A 25 -15.391 -1.028 -0.190 1.00 0.00 C ATOM 453 CD ARG A 25 -16.890 -0.778 -0.201 1.00 0.00 C ATOM 454 NE ARG A 25 -17.320 -0.085 -1.413 1.00 0.00 N ATOM 455 CZ ARG A 25 -17.506 -0.687 -2.586 1.00 0.00 C ATOM 456 NH1 ARG A 25 -17.301 -1.993 -2.709 1.00 0.00 N ATOM 457 NH2 ARG A 25 -17.898 0.019 -3.637 1.00 0.00 N ATOM 0 H ARG A 25 -13.041 -1.249 1.266 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.838 1.466 1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -15.211 1.103 -0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.707 0.246 -0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.085 -1.451 -1.147 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.150 -1.764 0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.417 -1.729 -0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -17.165 -0.186 0.672 1.00 0.00 H new ATOM 0 HE ARG A 25 -17.488 0.920 -1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -17.000 -2.540 -1.903 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -17.445 -2.449 -3.610 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -18.057 1.023 -3.547 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -18.041 -0.441 -4.536 1.00 0.00 H new ATOM 613 N SER A 36 -8.538 3.788 -0.826 1.00 0.00 N ATOM 614 CA SER A 36 -8.032 2.550 -1.409 1.00 0.00 C ATOM 615 C SER A 36 -7.315 1.706 -0.361 1.00 0.00 C ATOM 616 O SER A 36 -7.307 2.043 0.823 1.00 0.00 O ATOM 617 CB SER A 36 -7.082 2.859 -2.568 1.00 0.00 C ATOM 618 OG SER A 36 -5.844 3.359 -2.093 1.00 0.00 O ATOM 0 HA SER A 36 -8.883 1.982 -1.786 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.912 1.956 -3.154 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.541 3.589 -3.234 1.00 0.00 H new ATOM 0 HG SER A 36 -5.254 3.547 -2.853 1.00 0.00 H new ATOM 624 N ILE A 37 -6.716 0.606 -0.804 1.00 0.00 N ATOM 625 CA ILE A 37 -5.996 -0.288 0.094 1.00 0.00 C ATOM 626 C ILE A 37 -4.488 -0.102 -0.040 1.00 0.00 C ATOM 627 O ILE A 37 -3.965 0.041 -1.145 1.00 0.00 O ATOM 628 CB ILE A 37 -6.351 -1.762 -0.181 1.00 0.00 C ATOM 629 CG1 ILE A 37 -7.870 -1.946 -0.205 1.00 0.00 C ATOM 630 CG2 ILE A 37 -5.718 -2.666 0.865 1.00 0.00 C ATOM 631 CD1 ILE A 37 -8.305 -3.371 -0.465 1.00 0.00 C ATOM 0 H ILE A 37 -6.715 0.312 -1.781 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.300 -0.033 1.109 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.954 -2.040 -1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.282 -1.618 0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.293 -1.300 -0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.979 -3.703 0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.634 -2.552 0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.086 -2.392 1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.394 -3.424 -0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.923 -3.697 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.912 -4.020 0.318 1.00 0.00 H new ATOM 643 N VAL A 38 -3.794 -0.100 1.095 1.00 0.00 N ATOM 644 CA VAL A 38 -2.345 0.074 1.105 1.00 0.00 C ATOM 645 C VAL A 38 -1.693 -0.808 2.166 1.00 0.00 C ATOM 646 O VAL A 38 -2.355 -1.273 3.094 1.00 0.00 O ATOM 647 CB VAL A 38 -1.965 1.546 1.359 1.00 0.00 C ATOM 648 CG1 VAL A 38 -2.468 2.005 2.720 1.00 0.00 C ATOM 649 CG2 VAL A 38 -0.459 1.742 1.244 1.00 0.00 C ATOM 0 H VAL A 38 -4.211 -0.217 2.018 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.978 -0.223 0.123 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.445 2.158 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.189 3.047 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.553 1.910 2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.023 1.387 3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.213 2.788 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.047 1.116 1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.131 1.462 0.243 1.00 0.00 H new ATOM 659 N ILE A 39 -0.389 -1.034 2.024 1.00 0.00 N ATOM 660 CA ILE A 39 0.351 -1.858 2.971 1.00 0.00 C ATOM 661 C ILE A 39 0.581 -1.111 4.282 1.00 0.00 C ATOM 662 O ILE A 39 1.148 -0.019 4.295 1.00 0.00 O ATOM 663 CB ILE A 39 1.713 -2.292 2.396 1.00 0.00 C ATOM 664 CG1 ILE A 39 1.536 -2.888 0.996 1.00 0.00 C ATOM 665 CG2 ILE A 39 2.387 -3.292 3.323 1.00 0.00 C ATOM 666 CD1 ILE A 39 1.990 -1.967 -0.115 1.00 0.00 C ATOM 0 H ILE A 39 0.175 -0.657 1.262 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.254 -2.745 3.159 1.00 0.00 H new ATOM 0 HB ILE A 39 2.353 -1.413 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.095 -3.822 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.485 -3.135 0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.348 -3.588 2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.544 -2.834 4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.752 -4.171 3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.835 -2.454 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.414 -1.042 -0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.049 -1.740 0.011 1.00 0.00 H new ATOM 678 N SER A 40 0.135 -1.708 5.382 1.00 0.00 N ATOM 679 CA SER A 40 0.290 -1.097 6.699 1.00 0.00 C ATOM 680 C SER A 40 1.664 -1.407 7.287 1.00 0.00 C ATOM 681 O SER A 40 2.345 -0.519 7.800 1.00 0.00 O ATOM 682 CB SER A 40 -0.809 -1.591 7.644 1.00 0.00 C ATOM 683 OG SER A 40 -1.480 -0.504 8.257 1.00 0.00 O ATOM 0 H SER A 40 -0.336 -2.613 5.389 1.00 0.00 H new ATOM 0 HA SER A 40 0.203 -0.017 6.584 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.524 -2.198 7.089 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.373 -2.232 8.410 1.00 0.00 H new ATOM 0 HG SER A 40 -2.448 -0.621 8.161 1.00 0.00 H new ATOM 689 N ASP A 41 2.063 -2.672 7.212 1.00 0.00 N ATOM 690 CA ASP A 41 3.355 -3.098 7.740 1.00 0.00 C ATOM 691 C ASP A 41 3.885 -4.307 6.972 1.00 0.00 C ATOM 692 O ASP A 41 3.117 -5.070 6.389 1.00 0.00 O ATOM 693 CB ASP A 41 3.234 -3.435 9.227 1.00 0.00 C ATOM 694 CG ASP A 41 3.754 -2.322 10.117 1.00 0.00 C ATOM 695 OD1 ASP A 41 3.906 -1.186 9.620 1.00 0.00 O ATOM 696 OD2 ASP A 41 4.011 -2.587 11.310 1.00 0.00 O ATOM 0 H ASP A 41 1.512 -3.420 6.791 1.00 0.00 H new ATOM 0 HA ASP A 41 4.060 -2.276 7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.189 -3.631 9.468 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.787 -4.351 9.435 1.00 0.00 H new ATOM 701 N VAL A 42 5.204 -4.473 6.979 1.00 0.00 N ATOM 702 CA VAL A 42 5.836 -5.589 6.285 1.00 0.00 C ATOM 703 C VAL A 42 6.822 -6.317 7.192 1.00 0.00 C ATOM 704 O VAL A 42 7.404 -5.723 8.099 1.00 0.00 O ATOM 705 CB VAL A 42 6.575 -5.119 5.018 1.00 0.00 C ATOM 706 CG1 VAL A 42 5.598 -4.520 4.020 1.00 0.00 C ATOM 707 CG2 VAL A 42 7.665 -4.119 5.374 1.00 0.00 C ATOM 0 H VAL A 42 5.855 -3.850 7.457 1.00 0.00 H new ATOM 0 HA VAL A 42 5.037 -6.273 5.999 1.00 0.00 H new ATOM 0 HB VAL A 42 7.047 -5.985 4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.139 -4.194 3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.859 -5.270 3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.094 -3.666 4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.176 -3.799 4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.219 -3.254 5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.383 -4.587 6.048 1.00 0.00 H new ATOM 717 N LEU A 43 7.005 -7.609 6.938 1.00 0.00 N ATOM 718 CA LEU A 43 7.925 -8.421 7.729 1.00 0.00 C ATOM 719 C LEU A 43 9.372 -8.158 7.323 1.00 0.00 C ATOM 720 O LEU A 43 10.287 -8.285 8.136 1.00 0.00 O ATOM 721 CB LEU A 43 7.603 -9.908 7.568 1.00 0.00 C ATOM 722 CG LEU A 43 7.270 -10.352 6.140 1.00 0.00 C ATOM 723 CD1 LEU A 43 8.128 -11.542 5.733 1.00 0.00 C ATOM 724 CD2 LEU A 43 5.792 -10.695 6.016 1.00 0.00 C ATOM 0 H LEU A 43 6.529 -8.116 6.192 1.00 0.00 H new ATOM 0 HA LEU A 43 7.801 -8.142 8.775 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.455 -10.488 7.923 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.760 -10.153 8.214 1.00 0.00 H new ATOM 0 HG LEU A 43 7.489 -9.524 5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.876 -11.841 4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.181 -11.264 5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.942 -12.374 6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.576 -11.008 4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.548 -11.505 6.703 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.193 -9.818 6.261 1.00 0.00 H new ATOM 736 N LYS A 44 9.571 -7.793 6.060 1.00 0.00 N ATOM 737 CA LYS A 44 10.908 -7.514 5.546 1.00 0.00 C ATOM 738 C LYS A 44 11.770 -8.773 5.571 1.00 0.00 C ATOM 739 O LYS A 44 12.982 -8.705 5.774 1.00 0.00 O ATOM 740 CB LYS A 44 11.572 -6.404 6.364 1.00 0.00 C ATOM 741 CG LYS A 44 11.535 -5.044 5.685 1.00 0.00 C ATOM 742 CD LYS A 44 12.087 -3.955 6.590 1.00 0.00 C ATOM 743 CE LYS A 44 11.401 -2.623 6.341 1.00 0.00 C ATOM 744 NZ LYS A 44 11.807 -2.024 5.039 1.00 0.00 N ATOM 0 H LYS A 44 8.824 -7.684 5.374 1.00 0.00 H new ATOM 0 HA LYS A 44 10.814 -7.181 4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.077 -6.331 7.332 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.610 -6.677 6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.115 -5.081 4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.509 -4.803 5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.954 -4.245 7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.159 -3.850 6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.320 -2.763 6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.643 -1.933 7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.317 -1.116 4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.835 -1.866 5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.553 -2.671 4.265 1.00 0.00 H new ATOM 758 N GLY A 45 11.135 -9.922 5.360 1.00 0.00 N ATOM 759 CA GLY A 45 11.859 -11.179 5.363 1.00 0.00 C ATOM 760 C GLY A 45 11.267 -12.199 4.407 1.00 0.00 C ATOM 761 O GLY A 45 11.561 -13.391 4.504 1.00 0.00 O ATOM 0 H GLY A 45 10.133 -10.004 5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.899 -10.995 5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.860 -11.591 6.372 1.00 0.00 H new ATOM 765 N GLY A 46 10.434 -11.733 3.481 1.00 0.00 N ATOM 766 CA GLY A 46 9.819 -12.628 2.519 1.00 0.00 C ATOM 767 C GLY A 46 9.977 -12.140 1.091 1.00 0.00 C ATOM 768 O GLY A 46 10.896 -11.378 0.793 1.00 0.00 O ATOM 0 H GLY A 46 10.174 -10.752 3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.264 -13.619 2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.759 -12.731 2.749 1.00 0.00 H new ATOM 772 N PRO A 47 9.085 -12.562 0.178 1.00 0.00 N ATOM 773 CA PRO A 47 9.142 -12.152 -1.228 1.00 0.00 C ATOM 774 C PRO A 47 8.822 -10.671 -1.409 1.00 0.00 C ATOM 775 O PRO A 47 9.329 -10.023 -2.324 1.00 0.00 O ATOM 776 CB PRO A 47 8.073 -13.018 -1.898 1.00 0.00 C ATOM 777 CG PRO A 47 7.124 -13.362 -0.804 1.00 0.00 C ATOM 778 CD PRO A 47 7.954 -13.470 0.445 1.00 0.00 C ATOM 0 HA PRO A 47 10.138 -12.283 -1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.572 -12.478 -2.701 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.509 -13.914 -2.340 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.357 -12.595 -0.698 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.610 -14.300 -1.014 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.393 -13.165 1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.290 -14.492 0.618 1.00 0.00 H new ATOM 786 N ALA A 48 7.975 -10.143 -0.532 1.00 0.00 N ATOM 787 CA ALA A 48 7.586 -8.739 -0.594 1.00 0.00 C ATOM 788 C ALA A 48 8.281 -7.925 0.494 1.00 0.00 C ATOM 789 O ALA A 48 7.749 -6.918 0.964 1.00 0.00 O ATOM 790 CB ALA A 48 6.075 -8.606 -0.471 1.00 0.00 C ATOM 0 H ALA A 48 7.545 -10.666 0.230 1.00 0.00 H new ATOM 0 HA ALA A 48 7.899 -8.344 -1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.797 -7.553 -0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.595 -9.145 -1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.749 -9.024 0.481 1.00 0.00 H new ATOM 796 N GLU A 49 9.470 -8.366 0.891 1.00 0.00 N ATOM 797 CA GLU A 49 10.237 -7.676 1.925 1.00 0.00 C ATOM 798 C GLU A 49 10.509 -6.228 1.530 1.00 0.00 C ATOM 799 O GLU A 49 10.454 -5.326 2.365 1.00 0.00 O ATOM 800 CB GLU A 49 11.560 -8.403 2.178 1.00 0.00 C ATOM 801 CG GLU A 49 12.389 -8.611 0.921 1.00 0.00 C ATOM 802 CD GLU A 49 13.796 -9.088 1.223 1.00 0.00 C ATOM 803 OE1 GLU A 49 14.420 -8.541 2.157 1.00 0.00 O ATOM 804 OE2 GLU A 49 14.274 -10.007 0.526 1.00 0.00 O ATOM 0 H GLU A 49 9.924 -9.198 0.513 1.00 0.00 H new ATOM 0 HA GLU A 49 9.646 -7.678 2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.146 -7.834 2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.352 -9.372 2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.893 -9.339 0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.438 -7.676 0.364 1.00 0.00 H new ATOM 811 N GLY A 50 10.803 -6.011 0.252 1.00 0.00 N ATOM 812 CA GLY A 50 11.080 -4.670 -0.228 1.00 0.00 C ATOM 813 C GLY A 50 10.475 -4.405 -1.593 1.00 0.00 C ATOM 814 O GLY A 50 11.031 -3.648 -2.389 1.00 0.00 O ATOM 0 H GLY A 50 10.854 -6.740 -0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.690 -3.944 0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.159 -4.521 -0.277 1.00 0.00 H new ATOM 818 N GLN A 51 9.333 -5.028 -1.864 1.00 0.00 N ATOM 819 CA GLN A 51 8.653 -4.855 -3.142 1.00 0.00 C ATOM 820 C GLN A 51 7.372 -4.045 -2.971 1.00 0.00 C ATOM 821 O GLN A 51 7.026 -3.223 -3.820 1.00 0.00 O ATOM 822 CB GLN A 51 8.330 -6.216 -3.761 1.00 0.00 C ATOM 823 CG GLN A 51 9.561 -6.995 -4.195 1.00 0.00 C ATOM 824 CD GLN A 51 10.015 -6.633 -5.596 1.00 0.00 C ATOM 825 OE1 GLN A 51 11.113 -6.112 -5.791 1.00 0.00 O ATOM 826 NE2 GLN A 51 9.168 -6.909 -6.582 1.00 0.00 N ATOM 0 H GLN A 51 8.859 -5.657 -1.216 1.00 0.00 H new ATOM 0 HA GLN A 51 9.321 -4.310 -3.809 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.770 -6.810 -3.039 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.681 -6.068 -4.624 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.373 -6.805 -3.493 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.345 -8.063 -4.151 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.268 -7.341 -6.375 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.418 -6.688 -7.546 1.00 0.00 H new ATOM 835 N LEU A 52 6.671 -4.282 -1.867 1.00 0.00 N ATOM 836 CA LEU A 52 5.428 -3.574 -1.582 1.00 0.00 C ATOM 837 C LEU A 52 5.524 -2.814 -0.263 1.00 0.00 C ATOM 838 O LEU A 52 5.813 -3.399 0.781 1.00 0.00 O ATOM 839 CB LEU A 52 4.257 -4.557 -1.534 1.00 0.00 C ATOM 840 CG LEU A 52 3.918 -5.227 -2.867 1.00 0.00 C ATOM 841 CD1 LEU A 52 3.459 -6.659 -2.644 1.00 0.00 C ATOM 842 CD2 LEU A 52 2.851 -4.432 -3.605 1.00 0.00 C ATOM 0 H LEU A 52 6.943 -4.959 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 52 5.257 -2.854 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.483 -5.333 -0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.374 -4.029 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 52 4.818 -5.248 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.222 -7.119 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.254 -7.224 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.571 -6.662 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.621 -4.922 -4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.949 -4.380 -2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.217 -3.424 -3.798 1.00 0.00 H new ATOM 854 N GLN A 53 5.281 -1.509 -0.318 1.00 0.00 N ATOM 855 CA GLN A 53 5.340 -0.669 0.873 1.00 0.00 C ATOM 856 C GLN A 53 4.318 0.459 0.794 1.00 0.00 C ATOM 857 O GLN A 53 3.661 0.645 -0.229 1.00 0.00 O ATOM 858 CB GLN A 53 6.746 -0.090 1.044 1.00 0.00 C ATOM 859 CG GLN A 53 7.154 0.859 -0.071 1.00 0.00 C ATOM 860 CD GLN A 53 8.542 0.569 -0.608 1.00 0.00 C ATOM 861 OE1 GLN A 53 8.889 -0.582 -0.873 1.00 0.00 O ATOM 862 NE2 GLN A 53 9.343 1.614 -0.770 1.00 0.00 N ATOM 0 H GLN A 53 5.041 -1.010 -1.175 1.00 0.00 H new ATOM 0 HA GLN A 53 5.102 -1.289 1.737 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.799 0.438 1.996 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.463 -0.909 1.093 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.432 0.789 -0.885 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.119 1.884 0.299 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.013 2.551 -0.537 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.289 1.481 -1.127 1.00 0.00 H new ATOM 871 N GLU A 54 4.190 1.212 1.883 1.00 0.00 N ATOM 872 CA GLU A 54 3.248 2.325 1.939 1.00 0.00 C ATOM 873 C GLU A 54 3.476 3.293 0.783 1.00 0.00 C ATOM 874 O GLU A 54 2.530 3.872 0.249 1.00 0.00 O ATOM 875 CB GLU A 54 3.380 3.065 3.271 1.00 0.00 C ATOM 876 CG GLU A 54 2.345 4.161 3.463 1.00 0.00 C ATOM 877 CD GLU A 54 2.190 4.568 4.916 1.00 0.00 C ATOM 878 OE1 GLU A 54 1.725 3.734 5.720 1.00 0.00 O ATOM 879 OE2 GLU A 54 2.534 5.721 5.249 1.00 0.00 O ATOM 0 H GLU A 54 4.727 1.071 2.739 1.00 0.00 H new ATOM 0 HA GLU A 54 2.240 1.918 1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.292 2.347 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.376 3.502 3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.630 5.032 2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.383 3.819 3.081 1.00 0.00 H new ATOM 886 N ASN A 55 4.737 3.463 0.400 1.00 0.00 N ATOM 887 CA ASN A 55 5.089 4.359 -0.695 1.00 0.00 C ATOM 888 C ASN A 55 4.416 3.921 -1.991 1.00 0.00 C ATOM 889 O ASN A 55 4.080 4.748 -2.840 1.00 0.00 O ATOM 890 CB ASN A 55 6.609 4.400 -0.879 1.00 0.00 C ATOM 891 CG ASN A 55 7.158 5.814 -0.831 1.00 0.00 C ATOM 892 OD1 ASN A 55 7.579 6.364 -1.849 1.00 0.00 O ATOM 893 ND2 ASN A 55 7.155 6.410 0.356 1.00 0.00 N ATOM 0 H ASN A 55 5.532 2.992 0.832 1.00 0.00 H new ATOM 0 HA ASN A 55 4.735 5.359 -0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.083 3.802 -0.101 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.869 3.944 -1.834 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.511 7.361 0.450 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.796 5.917 1.174 1.00 0.00 H new ATOM 900 N ASP A 56 4.220 2.614 -2.137 1.00 0.00 N ATOM 901 CA ASP A 56 3.583 2.065 -3.329 1.00 0.00 C ATOM 902 C ASP A 56 2.096 1.829 -3.088 1.00 0.00 C ATOM 903 O ASP A 56 1.712 0.911 -2.364 1.00 0.00 O ATOM 904 CB ASP A 56 4.260 0.754 -3.737 1.00 0.00 C ATOM 905 CG ASP A 56 5.746 0.923 -3.985 1.00 0.00 C ATOM 906 OD1 ASP A 56 6.381 1.724 -3.268 1.00 0.00 O ATOM 907 OD2 ASP A 56 6.274 0.253 -4.898 1.00 0.00 O ATOM 0 H ASP A 56 4.493 1.916 -1.445 1.00 0.00 H new ATOM 0 HA ASP A 56 3.693 2.789 -4.137 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.107 0.011 -2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.785 0.369 -4.639 1.00 0.00 H new ATOM 912 N ARG A 57 1.262 2.666 -3.698 1.00 0.00 N ATOM 913 CA ARG A 57 -0.183 2.549 -3.548 1.00 0.00 C ATOM 914 C ARG A 57 -0.727 1.389 -4.374 1.00 0.00 C ATOM 915 O ARG A 57 -0.361 1.216 -5.537 1.00 0.00 O ATOM 916 CB ARG A 57 -0.867 3.852 -3.966 1.00 0.00 C ATOM 917 CG ARG A 57 -0.927 4.889 -2.855 1.00 0.00 C ATOM 918 CD ARG A 57 -0.618 6.284 -3.376 1.00 0.00 C ATOM 919 NE ARG A 57 -1.831 7.015 -3.737 1.00 0.00 N ATOM 920 CZ ARG A 57 -2.761 7.386 -2.860 1.00 0.00 C ATOM 921 NH1 ARG A 57 -2.625 7.092 -1.573 1.00 0.00 N ATOM 922 NH2 ARG A 57 -3.830 8.053 -3.272 1.00 0.00 N ATOM 0 H ARG A 57 1.563 3.432 -4.300 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.398 2.353 -2.497 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.336 4.275 -4.819 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.880 3.630 -4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.918 4.880 -2.401 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.216 4.626 -2.072 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.071 6.842 -2.616 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.033 6.210 -4.247 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.973 7.255 -4.718 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.804 6.579 -1.251 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.341 7.379 -0.906 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.939 8.281 -4.260 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.543 8.338 -2.601 1.00 0.00 H new ATOM 936 N VAL A 58 -1.605 0.597 -3.766 1.00 0.00 N ATOM 937 CA VAL A 58 -2.201 -0.546 -4.444 1.00 0.00 C ATOM 938 C VAL A 58 -3.450 -0.133 -5.216 1.00 0.00 C ATOM 939 O VAL A 58 -4.312 0.571 -4.689 1.00 0.00 O ATOM 940 CB VAL A 58 -2.573 -1.661 -3.449 1.00 0.00 C ATOM 941 CG1 VAL A 58 -2.977 -2.928 -4.190 1.00 0.00 C ATOM 942 CG2 VAL A 58 -1.416 -1.935 -2.498 1.00 0.00 C ATOM 0 H VAL A 58 -1.919 0.727 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.453 -0.927 -5.139 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.427 -1.327 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.236 -3.704 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.839 -2.719 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.146 -3.269 -4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.697 -2.726 -1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.542 -2.248 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.180 -1.028 -1.941 1.00 0.00 H new ATOM 952 N ALA A 59 -3.540 -0.571 -6.467 1.00 0.00 N ATOM 953 CA ALA A 59 -4.683 -0.243 -7.311 1.00 0.00 C ATOM 954 C ALA A 59 -5.487 -1.489 -7.666 1.00 0.00 C ATOM 955 O ALA A 59 -6.711 -1.437 -7.780 1.00 0.00 O ATOM 956 CB ALA A 59 -4.219 0.464 -8.576 1.00 0.00 C ATOM 0 H ALA A 59 -2.835 -1.154 -6.919 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.334 0.426 -6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.082 0.703 -9.197 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.699 1.384 -8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.543 -0.188 -9.130 1.00 0.00 H new ATOM 962 N MET A 60 -4.790 -2.607 -7.843 1.00 0.00 N ATOM 963 CA MET A 60 -5.444 -3.863 -8.188 1.00 0.00 C ATOM 964 C MET A 60 -4.627 -5.056 -7.703 1.00 0.00 C ATOM 965 O MET A 60 -3.398 -5.006 -7.665 1.00 0.00 O ATOM 966 CB MET A 60 -5.651 -3.953 -9.702 1.00 0.00 C ATOM 967 CG MET A 60 -6.661 -5.010 -10.117 1.00 0.00 C ATOM 968 SD MET A 60 -6.740 -5.232 -11.905 1.00 0.00 S ATOM 969 CE MET A 60 -7.555 -3.715 -12.399 1.00 0.00 C ATOM 0 H MET A 60 -3.776 -2.668 -7.753 1.00 0.00 H new ATOM 0 HA MET A 60 -6.414 -3.887 -7.692 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.980 -2.983 -10.073 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.695 -4.169 -10.179 1.00 0.00 H new ATOM 0 HG2 MET A 60 -6.401 -5.959 -9.648 1.00 0.00 H new ATOM 0 HG3 MET A 60 -7.647 -4.730 -9.746 1.00 0.00 H new ATOM 0 HE1 MET A 60 -7.820 -3.771 -13.455 1.00 0.00 H new ATOM 0 HE2 MET A 60 -8.458 -3.577 -11.805 1.00 0.00 H new ATOM 0 HE3 MET A 60 -6.883 -2.872 -12.238 1.00 0.00 H new ATOM 979 N VAL A 61 -5.319 -6.129 -7.335 1.00 0.00 N ATOM 980 CA VAL A 61 -4.662 -7.337 -6.852 1.00 0.00 C ATOM 981 C VAL A 61 -5.302 -8.583 -7.456 1.00 0.00 C ATOM 982 O VAL A 61 -6.512 -8.781 -7.358 1.00 0.00 O ATOM 983 CB VAL A 61 -4.722 -7.438 -5.317 1.00 0.00 C ATOM 984 CG1 VAL A 61 -3.830 -6.387 -4.678 1.00 0.00 C ATOM 985 CG2 VAL A 61 -6.155 -7.303 -4.829 1.00 0.00 C ATOM 0 H VAL A 61 -6.337 -6.186 -7.362 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.619 -7.276 -7.161 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.354 -8.420 -5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.885 -6.474 -3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.800 -6.538 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.164 -5.394 -4.980 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.178 -7.377 -3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.554 -6.336 -5.135 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.762 -8.099 -5.259 1.00 0.00 H new ATOM 995 N ASN A 62 -4.482 -9.419 -8.081 1.00 0.00 N ATOM 996 CA ASN A 62 -4.967 -10.648 -8.703 1.00 0.00 C ATOM 997 C ASN A 62 -6.144 -10.374 -9.637 1.00 0.00 C ATOM 998 O ASN A 62 -7.027 -11.217 -9.802 1.00 0.00 O ATOM 999 CB ASN A 62 -5.380 -11.657 -7.629 1.00 0.00 C ATOM 1000 CG ASN A 62 -5.005 -13.078 -7.997 1.00 0.00 C ATOM 1001 OD1 ASN A 62 -4.123 -13.306 -8.825 1.00 0.00 O ATOM 1002 ND2 ASN A 62 -5.675 -14.045 -7.381 1.00 0.00 N ATOM 0 H ASN A 62 -3.477 -9.269 -8.171 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.153 -11.064 -9.296 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.906 -11.392 -6.684 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.457 -11.597 -7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.466 -15.022 -7.588 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.399 -13.811 -6.701 1.00 0.00 H new ATOM 1009 N GLY A 63 -6.145 -9.197 -10.257 1.00 0.00 N ATOM 1010 CA GLY A 63 -7.212 -8.844 -11.177 1.00 0.00 C ATOM 1011 C GLY A 63 -8.304 -8.004 -10.540 1.00 0.00 C ATOM 1012 O GLY A 63 -8.991 -7.249 -11.228 1.00 0.00 O ATOM 0 H GLY A 63 -5.427 -8.482 -10.139 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.789 -8.298 -12.020 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.653 -9.757 -11.578 1.00 0.00 H new ATOM 1016 N VAL A 64 -8.475 -8.136 -9.228 1.00 0.00 N ATOM 1017 CA VAL A 64 -9.503 -7.381 -8.518 1.00 0.00 C ATOM 1018 C VAL A 64 -9.001 -5.997 -8.115 1.00 0.00 C ATOM 1019 O VAL A 64 -7.830 -5.821 -7.787 1.00 0.00 O ATOM 1020 CB VAL A 64 -9.998 -8.136 -7.266 1.00 0.00 C ATOM 1021 CG1 VAL A 64 -8.897 -8.253 -6.220 1.00 0.00 C ATOM 1022 CG2 VAL A 64 -11.226 -7.453 -6.685 1.00 0.00 C ATOM 0 H VAL A 64 -7.919 -8.755 -8.638 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.338 -7.264 -9.208 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.275 -9.146 -7.568 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.277 -8.790 -5.350 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.051 -8.797 -6.641 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.574 -7.257 -5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.562 -7.998 -5.803 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.975 -6.430 -6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -12.022 -7.441 -7.429 1.00 0.00 H new ATOM 1032 N SER A 65 -9.898 -5.017 -8.143 1.00 0.00 N ATOM 1033 CA SER A 65 -9.547 -3.648 -7.781 1.00 0.00 C ATOM 1034 C SER A 65 -9.366 -3.510 -6.273 1.00 0.00 C ATOM 1035 O SER A 65 -10.088 -4.130 -5.492 1.00 0.00 O ATOM 1036 CB SER A 65 -10.625 -2.677 -8.267 1.00 0.00 C ATOM 1037 OG SER A 65 -10.263 -1.335 -7.996 1.00 0.00 O ATOM 0 H SER A 65 -10.873 -5.145 -8.413 1.00 0.00 H new ATOM 0 HA SER A 65 -8.601 -3.404 -8.265 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.779 -2.806 -9.338 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.572 -2.907 -7.779 1.00 0.00 H new ATOM 0 HG SER A 65 -11.031 -0.860 -7.615 1.00 0.00 H new ATOM 1043 N MET A 66 -8.397 -2.693 -5.870 1.00 0.00 N ATOM 1044 CA MET A 66 -8.121 -2.473 -4.454 1.00 0.00 C ATOM 1045 C MET A 66 -8.356 -1.014 -4.071 1.00 0.00 C ATOM 1046 O MET A 66 -7.773 -0.515 -3.109 1.00 0.00 O ATOM 1047 CB MET A 66 -6.682 -2.872 -4.124 1.00 0.00 C ATOM 1048 CG MET A 66 -6.480 -4.373 -3.995 1.00 0.00 C ATOM 1049 SD MET A 66 -6.208 -4.896 -2.290 1.00 0.00 S ATOM 1050 CE MET A 66 -4.642 -4.102 -1.936 1.00 0.00 C ATOM 0 H MET A 66 -7.790 -2.173 -6.504 1.00 0.00 H new ATOM 0 HA MET A 66 -8.805 -3.096 -3.878 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.021 -2.491 -4.902 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.386 -2.393 -3.191 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.354 -4.888 -4.394 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.627 -4.674 -4.603 1.00 0.00 H new ATOM 0 HE1 MET A 66 -4.383 -4.258 -0.889 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.865 -4.531 -2.569 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.723 -3.033 -2.134 1.00 0.00 H new ATOM 1060 N ASP A 67 -9.213 -0.335 -4.829 1.00 0.00 N ATOM 1061 CA ASP A 67 -9.524 1.065 -4.564 1.00 0.00 C ATOM 1062 C ASP A 67 -11.015 1.255 -4.307 1.00 0.00 C ATOM 1063 O ASP A 67 -11.557 2.340 -4.511 1.00 0.00 O ATOM 1064 CB ASP A 67 -9.082 1.938 -5.740 1.00 0.00 C ATOM 1065 CG ASP A 67 -7.649 1.669 -6.154 1.00 0.00 C ATOM 1066 OD1 ASP A 67 -6.733 1.992 -5.370 1.00 0.00 O ATOM 1067 OD2 ASP A 67 -7.443 1.134 -7.264 1.00 0.00 O ATOM 0 H ASP A 67 -9.703 -0.732 -5.630 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.980 1.368 -3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.742 1.760 -6.589 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.188 2.988 -5.469 1.00 0.00 H new ATOM 1072 N ASN A 68 -11.674 0.190 -3.857 1.00 0.00 N ATOM 1073 CA ASN A 68 -13.104 0.237 -3.572 1.00 0.00 C ATOM 1074 C ASN A 68 -13.604 -1.124 -3.098 1.00 0.00 C ATOM 1075 O ASN A 68 -14.670 -1.584 -3.509 1.00 0.00 O ATOM 1076 CB ASN A 68 -13.882 0.675 -4.815 1.00 0.00 C ATOM 1077 CG ASN A 68 -13.553 -0.168 -6.031 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -12.613 0.127 -6.769 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -14.329 -1.224 -6.247 1.00 0.00 N ATOM 0 H ASN A 68 -11.239 -0.716 -3.682 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.268 0.965 -2.777 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.951 0.612 -4.612 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.659 1.720 -5.030 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.156 -1.828 -7.051 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.097 -1.431 -5.609 1.00 0.00 H new ATOM 1086 N VAL A 69 -12.828 -1.765 -2.230 1.00 0.00 N ATOM 1087 CA VAL A 69 -13.191 -3.073 -1.701 1.00 0.00 C ATOM 1088 C VAL A 69 -12.825 -3.192 -0.225 1.00 0.00 C ATOM 1089 O VAL A 69 -11.903 -2.530 0.252 1.00 0.00 O ATOM 1090 CB VAL A 69 -12.499 -4.207 -2.482 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -12.993 -4.244 -3.919 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -10.987 -4.042 -2.434 1.00 0.00 C ATOM 0 H VAL A 69 -11.943 -1.399 -1.878 1.00 0.00 H new ATOM 0 HA VAL A 69 -14.271 -3.170 -1.813 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.753 -5.156 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.493 -5.051 -4.455 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -14.070 -4.414 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.771 -3.294 -4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.515 -4.852 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.711 -3.086 -2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.651 -4.070 -1.398 1.00 0.00 H new ATOM 1102 N GLU A 70 -13.555 -4.040 0.493 1.00 0.00 N ATOM 1103 CA GLU A 70 -13.308 -4.249 1.914 1.00 0.00 C ATOM 1104 C GLU A 70 -12.092 -5.143 2.128 1.00 0.00 C ATOM 1105 O GLU A 70 -11.748 -5.956 1.271 1.00 0.00 O ATOM 1106 CB GLU A 70 -14.537 -4.870 2.582 1.00 0.00 C ATOM 1107 CG GLU A 70 -14.960 -6.193 1.963 1.00 0.00 C ATOM 1108 CD GLU A 70 -16.448 -6.261 1.688 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -17.227 -6.362 2.660 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -16.836 -6.211 0.502 1.00 0.00 O ATOM 0 H GLU A 70 -14.323 -4.594 0.113 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.108 -3.279 2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.327 -5.024 3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.368 -4.167 2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.415 -6.344 1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.681 -7.008 2.631 1.00 0.00 H new ATOM 1117 N HIS A 71 -11.443 -4.985 3.278 1.00 0.00 N ATOM 1118 CA HIS A 71 -10.262 -5.777 3.609 1.00 0.00 C ATOM 1119 C HIS A 71 -10.541 -7.271 3.465 1.00 0.00 C ATOM 1120 O HIS A 71 -9.688 -8.029 3.006 1.00 0.00 O ATOM 1121 CB HIS A 71 -9.800 -5.468 5.034 1.00 0.00 C ATOM 1122 CG HIS A 71 -10.792 -5.864 6.085 1.00 0.00 C ATOM 1123 ND1 HIS A 71 -12.105 -5.558 6.226 1.00 0.00 N flip ATOM 1124 CD2 HIS A 71 -10.473 -6.671 7.157 1.00 0.00 C flip ATOM 1125 CE1 HIS A 71 -12.547 -6.180 7.366 1.00 0.00 C flip ATOM 1126 NE2 HIS A 71 -11.545 -6.845 7.910 1.00 0.00 N flip ATOM 0 H HIS A 71 -11.715 -4.315 3.997 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.471 -5.508 2.909 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.859 -5.984 5.222 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.600 -4.400 5.119 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -9.499 -7.095 7.351 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -13.553 -6.133 7.756 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -11.590 -7.399 8.765 1.00 0.00 H new ATOM 1135 N ALA A 72 -11.740 -7.686 3.860 1.00 0.00 N ATOM 1136 CA ALA A 72 -12.131 -9.089 3.778 1.00 0.00 C ATOM 1137 C ALA A 72 -12.167 -9.569 2.331 1.00 0.00 C ATOM 1138 O ALA A 72 -11.663 -10.645 2.010 1.00 0.00 O ATOM 1139 CB ALA A 72 -13.485 -9.298 4.438 1.00 0.00 C ATOM 0 H ALA A 72 -12.459 -7.070 4.241 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.384 -9.679 4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.765 -10.349 4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.428 -9.005 5.486 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.234 -8.690 3.932 1.00 0.00 H new ATOM 1145 N PHE A 73 -12.768 -8.764 1.460 1.00 0.00 N ATOM 1146 CA PHE A 73 -12.870 -9.109 0.047 1.00 0.00 C ATOM 1147 C PHE A 73 -11.494 -9.116 -0.612 1.00 0.00 C ATOM 1148 O PHE A 73 -11.223 -9.925 -1.499 1.00 0.00 O ATOM 1149 CB PHE A 73 -13.790 -8.122 -0.675 1.00 0.00 C ATOM 1150 CG PHE A 73 -14.241 -8.600 -2.025 1.00 0.00 C ATOM 1151 CD1 PHE A 73 -13.336 -8.733 -3.066 1.00 0.00 C ATOM 1152 CD2 PHE A 73 -15.571 -8.914 -2.254 1.00 0.00 C ATOM 1153 CE1 PHE A 73 -13.749 -9.172 -4.309 1.00 0.00 C ATOM 1154 CE2 PHE A 73 -15.989 -9.354 -3.496 1.00 0.00 C ATOM 1155 CZ PHE A 73 -15.077 -9.483 -4.524 1.00 0.00 C ATOM 0 H PHE A 73 -13.191 -7.870 1.708 1.00 0.00 H new ATOM 0 HA PHE A 73 -13.293 -10.111 -0.028 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -14.666 -7.933 -0.054 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -13.270 -7.171 -0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -12.296 -8.491 -2.904 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -16.289 -8.814 -1.453 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -13.034 -9.272 -5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -17.028 -9.597 -3.662 1.00 0.00 H new ATOM 0 HZ PHE A 73 -15.402 -9.827 -5.495 1.00 0.00 H new ATOM 1165 N ALA A 74 -10.630 -8.206 -0.174 1.00 0.00 N ATOM 1166 CA ALA A 74 -9.283 -8.103 -0.722 1.00 0.00 C ATOM 1167 C ALA A 74 -8.397 -9.250 -0.246 1.00 0.00 C ATOM 1168 O ALA A 74 -7.665 -9.849 -1.034 1.00 0.00 O ATOM 1169 CB ALA A 74 -8.663 -6.765 -0.346 1.00 0.00 C ATOM 0 H ALA A 74 -10.839 -7.529 0.560 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.358 -8.169 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.657 -6.701 -0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.274 -5.956 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.614 -6.679 0.739 1.00 0.00 H new ATOM 1175 N VAL A 75 -8.460 -9.548 1.048 1.00 0.00 N ATOM 1176 CA VAL A 75 -7.655 -10.620 1.624 1.00 0.00 C ATOM 1177 C VAL A 75 -8.075 -11.985 1.087 1.00 0.00 C ATOM 1178 O VAL A 75 -7.231 -12.822 0.769 1.00 0.00 O ATOM 1179 CB VAL A 75 -7.746 -10.630 3.165 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -9.163 -10.941 3.624 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -6.758 -11.628 3.750 1.00 0.00 C ATOM 0 H VAL A 75 -9.059 -9.063 1.717 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.623 -10.426 1.331 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.486 -9.636 3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.201 -10.942 4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.845 -10.183 3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.460 -11.921 3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.836 -11.622 4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.984 -12.626 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.745 -11.352 3.457 1.00 0.00 H new ATOM 1191 N GLN A 76 -9.383 -12.206 0.990 1.00 0.00 N ATOM 1192 CA GLN A 76 -9.905 -13.474 0.493 1.00 0.00 C ATOM 1193 C GLN A 76 -9.445 -13.730 -0.940 1.00 0.00 C ATOM 1194 O GLN A 76 -9.195 -14.871 -1.327 1.00 0.00 O ATOM 1195 CB GLN A 76 -11.433 -13.485 0.563 1.00 0.00 C ATOM 1196 CG GLN A 76 -12.095 -12.506 -0.393 1.00 0.00 C ATOM 1197 CD GLN A 76 -13.591 -12.726 -0.508 1.00 0.00 C ATOM 1198 OE1 GLN A 76 -14.382 -12.051 0.151 1.00 0.00 O ATOM 1199 NE2 GLN A 76 -13.987 -13.676 -1.348 1.00 0.00 N ATOM 0 H GLN A 76 -10.098 -11.526 1.248 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.515 -14.271 1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.791 -14.491 0.344 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.743 -13.251 1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.906 -11.488 -0.053 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.640 -12.602 -1.379 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -13.297 -14.211 -1.874 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -14.981 -13.870 -1.467 1.00 0.00 H new ATOM 1208 N GLN A 77 -9.337 -12.661 -1.723 1.00 0.00 N ATOM 1209 CA GLN A 77 -8.909 -12.772 -3.112 1.00 0.00 C ATOM 1210 C GLN A 77 -7.431 -13.143 -3.199 1.00 0.00 C ATOM 1211 O GLN A 77 -7.056 -14.075 -3.911 1.00 0.00 O ATOM 1212 CB GLN A 77 -9.165 -11.456 -3.852 1.00 0.00 C ATOM 1213 CG GLN A 77 -10.346 -11.517 -4.808 1.00 0.00 C ATOM 1214 CD GLN A 77 -10.152 -12.540 -5.910 1.00 0.00 C ATOM 1215 OE1 GLN A 77 -10.523 -13.704 -5.765 1.00 0.00 O ATOM 1216 NE2 GLN A 77 -9.568 -12.108 -7.022 1.00 0.00 N ATOM 0 H GLN A 77 -9.540 -11.709 -1.419 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.490 -13.564 -3.584 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.339 -10.666 -3.122 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.270 -11.182 -4.410 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.250 -11.758 -4.248 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.500 -10.534 -5.253 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.276 -11.134 -7.099 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.412 -12.751 -7.799 1.00 0.00 H new ATOM 1225 N LEU A 78 -6.598 -12.407 -2.471 1.00 0.00 N ATOM 1226 CA LEU A 78 -5.162 -12.660 -2.467 1.00 0.00 C ATOM 1227 C LEU A 78 -4.841 -13.972 -1.758 1.00 0.00 C ATOM 1228 O LEU A 78 -3.869 -14.649 -2.092 1.00 0.00 O ATOM 1229 CB LEU A 78 -4.418 -11.505 -1.792 1.00 0.00 C ATOM 1230 CG LEU A 78 -4.870 -11.182 -0.367 1.00 0.00 C ATOM 1231 CD1 LEU A 78 -4.184 -12.102 0.632 1.00 0.00 C ATOM 1232 CD2 LEU A 78 -4.585 -9.725 -0.037 1.00 0.00 C ATOM 0 H LEU A 78 -6.892 -11.632 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.831 -12.738 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.354 -11.741 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.536 -10.611 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.946 -11.346 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.518 -11.858 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.438 -13.138 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.104 -11.971 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.913 -9.512 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.515 -9.536 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.123 -9.082 -0.734 1.00 0.00 H new ATOM 1244 N ARG A 79 -5.665 -14.328 -0.777 1.00 0.00 N ATOM 1245 CA ARG A 79 -5.470 -15.560 -0.022 1.00 0.00 C ATOM 1246 C ARG A 79 -5.743 -16.785 -0.892 1.00 0.00 C ATOM 1247 O ARG A 79 -5.224 -17.870 -0.632 1.00 0.00 O ATOM 1248 CB ARG A 79 -6.383 -15.582 1.206 1.00 0.00 C ATOM 1249 CG ARG A 79 -5.763 -14.939 2.437 1.00 0.00 C ATOM 1250 CD ARG A 79 -6.472 -15.374 3.709 1.00 0.00 C ATOM 1251 NE ARG A 79 -7.894 -15.041 3.683 1.00 0.00 N ATOM 1252 CZ ARG A 79 -8.663 -14.985 4.768 1.00 0.00 C ATOM 1253 NH1 ARG A 79 -8.151 -15.239 5.966 1.00 0.00 N ATOM 1254 NH2 ARG A 79 -9.947 -14.674 4.655 1.00 0.00 N ATOM 0 H ARG A 79 -6.475 -13.780 -0.487 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.430 -15.593 0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -7.313 -15.066 0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.642 -16.615 1.437 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.708 -15.208 2.497 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.811 -13.854 2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.354 -16.450 3.840 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.003 -14.894 4.568 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.323 -14.839 2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.164 -15.478 6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.745 -15.195 6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.345 -14.478 3.737 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.536 -14.631 5.486 1.00 0.00 H new ATOM 1268 N LYS A 80 -6.563 -16.604 -1.923 1.00 0.00 N ATOM 1269 CA LYS A 80 -6.905 -17.695 -2.829 1.00 0.00 C ATOM 1270 C LYS A 80 -5.674 -18.198 -3.577 1.00 0.00 C ATOM 1271 O LYS A 80 -5.643 -19.337 -4.043 1.00 0.00 O ATOM 1272 CB LYS A 80 -7.971 -17.239 -3.827 1.00 0.00 C ATOM 1273 CG LYS A 80 -8.866 -18.367 -4.318 1.00 0.00 C ATOM 1274 CD LYS A 80 -10.188 -18.396 -3.568 1.00 0.00 C ATOM 1275 CE LYS A 80 -10.011 -18.895 -2.143 1.00 0.00 C ATOM 1276 NZ LYS A 80 -11.143 -19.760 -1.713 1.00 0.00 N ATOM 0 H LYS A 80 -7.003 -15.712 -2.152 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.300 -18.516 -2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.589 -16.472 -3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.481 -16.776 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.054 -18.245 -5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.354 -19.321 -4.191 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.621 -17.396 -3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.892 -19.040 -4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.078 -19.454 -2.067 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.928 -18.043 -1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.984 -20.079 -0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.030 -19.220 -1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.207 -20.586 -2.341 1.00 0.00 H new ATOM 1290 N SER A 81 -4.659 -17.344 -3.693 1.00 0.00 N ATOM 1291 CA SER A 81 -3.429 -17.708 -4.389 1.00 0.00 C ATOM 1292 C SER A 81 -2.834 -18.993 -3.816 1.00 0.00 C ATOM 1293 O SER A 81 -2.998 -20.071 -4.386 1.00 0.00 O ATOM 1294 CB SER A 81 -2.410 -16.570 -4.292 1.00 0.00 C ATOM 1295 OG SER A 81 -2.675 -15.565 -5.255 1.00 0.00 O ATOM 0 H SER A 81 -4.665 -16.397 -3.314 1.00 0.00 H new ATOM 0 HA SER A 81 -3.672 -17.882 -5.437 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.438 -16.137 -3.292 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.405 -16.964 -4.440 1.00 0.00 H new ATOM 0 HG SER A 81 -2.240 -15.800 -6.101 1.00 0.00 H new ATOM 1301 N GLY A 82 -2.146 -18.872 -2.684 1.00 0.00 N ATOM 1302 CA GLY A 82 -1.541 -20.032 -2.056 1.00 0.00 C ATOM 1303 C GLY A 82 -0.089 -20.219 -2.452 1.00 0.00 C ATOM 1304 O GLY A 82 0.709 -20.749 -1.678 1.00 0.00 O ATOM 0 H GLY A 82 -1.997 -17.991 -2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.608 -19.930 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.106 -20.924 -2.328 1.00 0.00 H new ATOM 1308 N LYS A 83 0.255 -19.785 -3.660 1.00 0.00 N ATOM 1309 CA LYS A 83 1.621 -19.908 -4.158 1.00 0.00 C ATOM 1310 C LYS A 83 1.812 -19.078 -5.423 1.00 0.00 C ATOM 1311 O LYS A 83 2.599 -19.435 -6.300 1.00 0.00 O ATOM 1312 CB LYS A 83 1.954 -21.377 -4.434 1.00 0.00 C ATOM 1313 CG LYS A 83 3.069 -21.924 -3.556 1.00 0.00 C ATOM 1314 CD LYS A 83 2.845 -23.389 -3.220 1.00 0.00 C ATOM 1315 CE LYS A 83 3.641 -23.806 -1.993 1.00 0.00 C ATOM 1316 NZ LYS A 83 5.109 -23.732 -2.230 1.00 0.00 N ATOM 0 H LYS A 83 -0.393 -19.345 -4.313 1.00 0.00 H new ATOM 0 HA LYS A 83 2.300 -19.530 -3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.057 -21.978 -4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.240 -21.486 -5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.025 -21.809 -4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.127 -21.343 -2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.784 -23.565 -3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.134 -24.007 -4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.376 -23.163 -1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.370 -24.824 -1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.615 -24.040 -1.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.364 -24.351 -3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.375 -22.752 -2.455 1.00 0.00 H new ATOM 1330 N ASN A 84 1.084 -17.970 -5.508 1.00 0.00 N ATOM 1331 CA ASN A 84 1.162 -17.081 -6.661 1.00 0.00 C ATOM 1332 C ASN A 84 0.190 -15.919 -6.502 1.00 0.00 C ATOM 1333 O ASN A 84 -0.894 -15.919 -7.086 1.00 0.00 O ATOM 1334 CB ASN A 84 0.855 -17.848 -7.951 1.00 0.00 C ATOM 1335 CG ASN A 84 2.110 -18.239 -8.706 1.00 0.00 C ATOM 1336 OD1 ASN A 84 2.899 -17.245 -9.096 1.00 0.00 O flip ATOM 1337 ND2 ASN A 84 2.368 -19.420 -8.935 1.00 0.00 N flip ATOM 0 H ASN A 84 0.430 -17.665 -4.788 1.00 0.00 H new ATOM 0 HA ASN A 84 2.176 -16.686 -6.721 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.286 -18.746 -7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 84 0.225 -17.234 -8.594 1.00 0.00 H new ATOM 0 HD21 ASN A 84 1.733 -20.152 -8.616 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.217 -19.667 -9.443 1.00 0.00 H new ATOM 1344 N ALA A 85 0.580 -14.931 -5.705 1.00 0.00 N ATOM 1345 CA ALA A 85 -0.262 -13.767 -5.467 1.00 0.00 C ATOM 1346 C ALA A 85 0.335 -12.522 -6.110 1.00 0.00 C ATOM 1347 O ALA A 85 1.368 -12.018 -5.669 1.00 0.00 O ATOM 1348 CB ALA A 85 -0.453 -13.553 -3.973 1.00 0.00 C ATOM 0 H ALA A 85 1.474 -14.914 -5.213 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.235 -13.950 -5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.084 -12.680 -3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.928 -14.432 -3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.517 -13.394 -3.501 1.00 0.00 H new ATOM 1354 N LYS A 86 -0.320 -12.028 -7.156 1.00 0.00 N ATOM 1355 CA LYS A 86 0.155 -10.840 -7.854 1.00 0.00 C ATOM 1356 C LYS A 86 -0.547 -9.587 -7.340 1.00 0.00 C ATOM 1357 O LYS A 86 -1.771 -9.558 -7.207 1.00 0.00 O ATOM 1358 CB LYS A 86 -0.047 -10.991 -9.368 1.00 0.00 C ATOM 1359 CG LYS A 86 -1.414 -10.543 -9.862 1.00 0.00 C ATOM 1360 CD LYS A 86 -1.728 -11.118 -11.234 1.00 0.00 C ATOM 1361 CE LYS A 86 -2.350 -10.077 -12.150 1.00 0.00 C ATOM 1362 NZ LYS A 86 -1.776 -10.130 -13.523 1.00 0.00 N ATOM 0 H LYS A 86 -1.177 -12.430 -7.537 1.00 0.00 H new ATOM 0 HA LYS A 86 1.221 -10.733 -7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.720 -10.415 -9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.101 -12.036 -9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.179 -10.856 -9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.447 -9.454 -9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.813 -11.501 -11.686 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.409 -11.963 -11.128 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.427 -10.236 -12.201 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.193 -9.084 -11.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.227 -9.404 -14.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.752 -9.953 -13.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.948 -11.069 -13.935 1.00 0.00 H new ATOM 1376 N ILE A 87 0.238 -8.556 -7.053 1.00 0.00 N ATOM 1377 CA ILE A 87 -0.303 -7.300 -6.552 1.00 0.00 C ATOM 1378 C ILE A 87 0.116 -6.130 -7.434 1.00 0.00 C ATOM 1379 O ILE A 87 1.291 -5.980 -7.771 1.00 0.00 O ATOM 1380 CB ILE A 87 0.157 -7.028 -5.106 1.00 0.00 C ATOM 1381 CG1 ILE A 87 -0.131 -8.241 -4.220 1.00 0.00 C ATOM 1382 CG2 ILE A 87 -0.525 -5.783 -4.553 1.00 0.00 C ATOM 1383 CD1 ILE A 87 0.295 -8.052 -2.780 1.00 0.00 C ATOM 0 H ILE A 87 1.252 -8.566 -7.159 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.389 -7.394 -6.570 1.00 0.00 H new ATOM 0 HB ILE A 87 1.233 -6.853 -5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.199 -8.457 -4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.381 -9.111 -4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.188 -5.607 -3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.270 -4.923 -5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.605 -5.927 -4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.060 -8.951 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.368 -7.866 -2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.237 -7.202 -2.352 1.00 0.00 H new ATOM 1395 N THR A 88 -0.853 -5.298 -7.797 1.00 0.00 N ATOM 1396 CA THR A 88 -0.590 -4.133 -8.632 1.00 0.00 C ATOM 1397 C THR A 88 -0.465 -2.882 -7.771 1.00 0.00 C ATOM 1398 O THR A 88 -1.393 -2.520 -7.050 1.00 0.00 O ATOM 1399 CB THR A 88 -1.706 -3.955 -9.662 1.00 0.00 C ATOM 1400 OG1 THR A 88 -2.332 -5.195 -9.942 1.00 0.00 O ATOM 1401 CG2 THR A 88 -1.225 -3.375 -10.973 1.00 0.00 C ATOM 0 H THR A 88 -1.830 -5.409 -7.525 1.00 0.00 H new ATOM 0 HA THR A 88 0.351 -4.290 -9.160 1.00 0.00 H new ATOM 0 HB THR A 88 -2.406 -3.253 -9.210 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.799 -5.514 -9.142 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.067 -3.275 -11.658 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.783 -2.394 -10.797 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.478 -4.037 -11.411 1.00 0.00 H new ATOM 1409 N ILE A 89 0.690 -2.232 -7.844 1.00 0.00 N ATOM 1410 CA ILE A 89 0.933 -1.027 -7.058 1.00 0.00 C ATOM 1411 C ILE A 89 1.515 0.087 -7.917 1.00 0.00 C ATOM 1412 O ILE A 89 1.987 -0.153 -9.028 1.00 0.00 O ATOM 1413 CB ILE A 89 1.893 -1.308 -5.886 1.00 0.00 C ATOM 1414 CG1 ILE A 89 3.188 -1.942 -6.397 1.00 0.00 C ATOM 1415 CG2 ILE A 89 1.226 -2.209 -4.858 1.00 0.00 C ATOM 1416 CD1 ILE A 89 4.161 -0.943 -6.986 1.00 0.00 C ATOM 0 H ILE A 89 1.470 -2.517 -8.436 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.032 -0.709 -6.664 1.00 0.00 H new ATOM 0 HB ILE A 89 2.140 -0.361 -5.405 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.674 -2.468 -5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.944 -2.688 -7.153 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.917 -2.398 -4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.330 -1.721 -4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.952 -3.154 -5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.055 -1.464 -7.327 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.694 -0.434 -7.829 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.435 -0.211 -6.226 1.00 0.00 H new ATOM 1428 N ARG A 90 1.480 1.310 -7.394 1.00 0.00 N ATOM 1429 CA ARG A 90 2.006 2.459 -8.119 1.00 0.00 C ATOM 1430 C ARG A 90 2.852 3.345 -7.212 1.00 0.00 C ATOM 1431 O ARG A 90 2.604 3.440 -6.009 1.00 0.00 O ATOM 1432 CB ARG A 90 0.869 3.281 -8.731 1.00 0.00 C ATOM 1433 CG ARG A 90 -0.188 2.437 -9.419 1.00 0.00 C ATOM 1434 CD ARG A 90 -1.493 2.424 -8.641 1.00 0.00 C ATOM 1435 NE ARG A 90 -2.057 3.764 -8.491 1.00 0.00 N ATOM 1436 CZ ARG A 90 -2.969 4.085 -7.577 1.00 0.00 C ATOM 1437 NH1 ARG A 90 -3.423 3.169 -6.730 1.00 0.00 N ATOM 1438 NH2 ARG A 90 -3.431 5.327 -7.511 1.00 0.00 N ATOM 0 H ARG A 90 1.095 1.529 -6.475 1.00 0.00 H new ATOM 0 HA ARG A 90 2.640 2.078 -8.920 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.396 3.872 -7.947 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.287 3.984 -9.452 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.367 2.824 -10.422 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.178 1.417 -9.532 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.212 1.783 -9.151 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.323 1.990 -7.656 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.733 4.495 -9.124 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.073 2.212 -6.777 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.122 3.422 -6.032 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.087 6.034 -8.160 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.130 5.575 -6.811 1.00 0.00 H new ATOM 1452 N ARG A 91 3.851 3.991 -7.802 1.00 0.00 N ATOM 1453 CA ARG A 91 4.738 4.874 -7.057 1.00 0.00 C ATOM 1454 C ARG A 91 5.212 6.029 -7.933 1.00 0.00 C ATOM 1455 O ARG A 91 5.191 5.941 -9.160 1.00 0.00 O ATOM 1456 CB ARG A 91 5.941 4.091 -6.527 1.00 0.00 C ATOM 1457 CG ARG A 91 6.808 3.489 -7.622 1.00 0.00 C ATOM 1458 CD ARG A 91 6.156 2.266 -8.249 1.00 0.00 C ATOM 1459 NE ARG A 91 5.984 2.422 -9.691 1.00 0.00 N ATOM 1460 CZ ARG A 91 6.065 1.420 -10.564 1.00 0.00 C ATOM 1461 NH1 ARG A 91 6.297 0.179 -10.149 1.00 0.00 N ATOM 1462 NH2 ARG A 91 5.909 1.658 -11.859 1.00 0.00 N ATOM 0 H ARG A 91 4.067 3.919 -8.796 1.00 0.00 H new ATOM 0 HA ARG A 91 4.182 5.285 -6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.553 4.753 -5.914 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.585 3.292 -5.877 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.993 4.238 -8.392 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.777 3.212 -7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.767 1.386 -8.049 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.186 2.093 -7.784 1.00 0.00 H new ATOM 0 HE ARG A 91 5.790 3.356 -10.051 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.415 -0.012 -9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.357 -0.582 -10.825 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.727 2.607 -12.185 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.971 0.892 -12.529 1.00 0.00 H new