USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.331 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 31 SER OG : rot 14:sc= 0.00906 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 30:sc= -0.216 USER MOD Single : A 42 LYS NZ :NH3+ 153:sc= -0.0156 (180deg=-0.938) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -160:sc= -0.747 USER MOD Single : A 69 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.226) USER MOD Single : A 74 ASN : amide:sc= -4.68! K(o=-4.7!,f=-2.6) USER MOD Single : A 79 GLN : amide:sc= -0.013 K(o=-0.013,f=-1.1) USER MOD Single : A 83 HIS : no HE2:sc= -0.175 X(o=-0.18,f=-0.12) USER MOD Single : A 84 HIS : no HD1:sc= -5.44! K(o=-5.4!,f=-4.3) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 98 GLN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 99 MET CE :methyl -123:sc= -4.73! (180deg=-6.18!) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 13 -7.995 -6.954 -16.178 1.00 0.00 N ATOM 149 CA GLU A 13 -6.877 -7.080 -15.259 1.00 0.00 C ATOM 150 C GLU A 13 -6.308 -5.700 -14.924 1.00 0.00 C ATOM 151 O GLU A 13 -6.115 -4.872 -15.813 1.00 0.00 O ATOM 152 CB GLU A 13 -5.794 -7.995 -15.834 1.00 0.00 C ATOM 153 CG GLU A 13 -5.050 -7.310 -16.981 1.00 0.00 C ATOM 154 CD GLU A 13 -4.066 -8.273 -17.649 1.00 0.00 C ATOM 155 OE1 GLU A 13 -3.009 -8.523 -17.031 1.00 0.00 O ATOM 156 OE2 GLU A 13 -4.394 -8.738 -18.762 1.00 0.00 O ATOM 0 HA GLU A 13 -7.239 -7.536 -14.338 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.088 -8.267 -15.049 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.246 -8.920 -16.191 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.766 -6.947 -17.718 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.513 -6.440 -16.603 1.00 0.00 H new ATOM 163 N GLU A 14 -6.055 -5.495 -13.640 1.00 0.00 N ATOM 164 CA GLU A 14 -5.511 -4.229 -13.177 1.00 0.00 C ATOM 165 C GLU A 14 -4.276 -3.850 -13.997 1.00 0.00 C ATOM 166 O GLU A 14 -3.657 -4.707 -14.625 1.00 0.00 O ATOM 167 CB GLU A 14 -5.181 -4.288 -11.684 1.00 0.00 C ATOM 168 CG GLU A 14 -6.456 -4.259 -10.839 1.00 0.00 C ATOM 169 CD GLU A 14 -6.322 -5.166 -9.613 1.00 0.00 C ATOM 170 OE1 GLU A 14 -6.493 -6.391 -9.793 1.00 0.00 O ATOM 171 OE2 GLU A 14 -6.051 -4.613 -8.525 1.00 0.00 O ATOM 0 H GLU A 14 -6.217 -6.184 -12.905 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.267 -3.457 -13.318 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.618 -5.196 -11.468 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.543 -3.446 -11.415 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.662 -3.237 -10.519 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.304 -4.581 -11.443 1.00 0.00 H new ATOM 178 N GLU A 15 -3.956 -2.565 -13.964 1.00 0.00 N ATOM 179 CA GLU A 15 -2.806 -2.062 -14.697 1.00 0.00 C ATOM 180 C GLU A 15 -1.746 -1.537 -13.726 1.00 0.00 C ATOM 181 O GLU A 15 -2.031 -1.317 -12.550 1.00 0.00 O ATOM 182 CB GLU A 15 -3.222 -0.978 -15.693 1.00 0.00 C ATOM 183 CG GLU A 15 -4.137 0.054 -15.030 1.00 0.00 C ATOM 184 CD GLU A 15 -4.515 1.164 -16.013 1.00 0.00 C ATOM 185 OE1 GLU A 15 -5.355 0.881 -16.894 1.00 0.00 O ATOM 186 OE2 GLU A 15 -3.954 2.271 -15.861 1.00 0.00 O ATOM 0 H GLU A 15 -4.472 -1.857 -13.442 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.374 -2.885 -15.266 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.335 -0.482 -16.088 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.736 -1.434 -16.539 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.040 -0.436 -14.665 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.636 0.486 -14.163 1.00 0.00 H new ATOM 193 N GLU A 16 -0.546 -1.352 -14.255 1.00 0.00 N ATOM 194 CA GLU A 16 0.558 -0.857 -13.450 1.00 0.00 C ATOM 195 C GLU A 16 0.510 0.670 -13.365 1.00 0.00 C ATOM 196 O GLU A 16 0.216 1.341 -14.353 1.00 0.00 O ATOM 197 CB GLU A 16 1.901 -1.333 -14.008 1.00 0.00 C ATOM 198 CG GLU A 16 2.274 -2.705 -13.443 1.00 0.00 C ATOM 199 CD GLU A 16 2.271 -3.770 -14.541 1.00 0.00 C ATOM 200 OE1 GLU A 16 1.333 -3.731 -15.366 1.00 0.00 O ATOM 201 OE2 GLU A 16 3.206 -4.599 -14.530 1.00 0.00 O ATOM 0 H GLU A 16 -0.314 -1.536 -15.231 1.00 0.00 H new ATOM 0 HA GLU A 16 0.457 -1.261 -12.443 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.849 -1.385 -15.095 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.678 -0.610 -13.761 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.260 -2.656 -12.982 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.569 -2.983 -12.660 1.00 0.00 H new ATOM 208 N LEU A 17 0.804 1.174 -12.175 1.00 0.00 N ATOM 209 CA LEU A 17 0.798 2.610 -11.949 1.00 0.00 C ATOM 210 C LEU A 17 2.031 2.997 -11.131 1.00 0.00 C ATOM 211 O LEU A 17 2.589 2.170 -10.411 1.00 0.00 O ATOM 212 CB LEU A 17 -0.523 3.046 -11.314 1.00 0.00 C ATOM 213 CG LEU A 17 -1.751 2.209 -11.677 1.00 0.00 C ATOM 214 CD1 LEU A 17 -2.836 2.332 -10.604 1.00 0.00 C ATOM 215 CD2 LEU A 17 -2.275 2.576 -13.066 1.00 0.00 C ATOM 0 H LEU A 17 1.048 0.614 -11.358 1.00 0.00 H new ATOM 0 HA LEU A 17 0.862 3.146 -12.896 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.405 3.030 -10.231 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.716 4.080 -11.599 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.451 1.162 -11.713 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.698 1.727 -10.887 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.445 1.982 -9.649 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.139 3.375 -10.511 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.148 1.966 -13.298 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.554 3.630 -13.083 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.497 2.394 -13.808 1.00 0.00 H new ATOM 227 N THR A 18 2.422 4.256 -11.268 1.00 0.00 N ATOM 228 CA THR A 18 3.579 4.764 -10.551 1.00 0.00 C ATOM 229 C THR A 18 3.267 6.129 -9.934 1.00 0.00 C ATOM 230 O THR A 18 2.985 7.088 -10.651 1.00 0.00 O ATOM 231 CB THR A 18 4.762 4.791 -11.520 1.00 0.00 C ATOM 232 OG1 THR A 18 4.751 3.497 -12.117 1.00 0.00 O ATOM 233 CG2 THR A 18 6.109 4.857 -10.798 1.00 0.00 C ATOM 0 H THR A 18 1.957 4.940 -11.866 1.00 0.00 H new ATOM 0 HA THR A 18 3.841 4.117 -9.714 1.00 0.00 H new ATOM 0 HB THR A 18 4.666 5.648 -12.187 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.486 3.428 -12.761 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.915 4.874 -11.532 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.152 5.761 -10.191 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.221 3.983 -10.156 1.00 0.00 H new ATOM 241 N LEU A 19 3.329 6.173 -8.611 1.00 0.00 N ATOM 242 CA LEU A 19 3.058 7.405 -7.890 1.00 0.00 C ATOM 243 C LEU A 19 4.379 8.022 -7.427 1.00 0.00 C ATOM 244 O LEU A 19 5.387 7.326 -7.313 1.00 0.00 O ATOM 245 CB LEU A 19 2.065 7.152 -6.753 1.00 0.00 C ATOM 246 CG LEU A 19 0.589 7.096 -7.151 1.00 0.00 C ATOM 247 CD1 LEU A 19 0.311 7.999 -8.355 1.00 0.00 C ATOM 248 CD2 LEU A 19 0.144 5.654 -7.402 1.00 0.00 C ATOM 0 H LEU A 19 3.563 5.375 -8.020 1.00 0.00 H new ATOM 0 HA LEU A 19 2.579 8.133 -8.545 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.327 6.210 -6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.190 7.937 -6.007 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.004 7.477 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.745 7.941 -8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.566 9.029 -8.104 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.914 7.672 -9.202 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.909 5.642 -7.683 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.740 5.224 -8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.284 5.067 -6.494 1.00 0.00 H new ATOM 260 N THR A 20 4.331 9.321 -7.173 1.00 0.00 N ATOM 261 CA THR A 20 5.512 10.040 -6.726 1.00 0.00 C ATOM 262 C THR A 20 5.171 10.935 -5.533 1.00 0.00 C ATOM 263 O THR A 20 4.551 11.985 -5.697 1.00 0.00 O ATOM 264 CB THR A 20 6.079 10.810 -7.920 1.00 0.00 C ATOM 265 OG1 THR A 20 6.071 9.858 -8.981 1.00 0.00 O ATOM 266 CG2 THR A 20 7.558 11.159 -7.744 1.00 0.00 C ATOM 0 H THR A 20 3.493 9.895 -7.268 1.00 0.00 H new ATOM 0 HA THR A 20 6.280 9.354 -6.370 1.00 0.00 H new ATOM 0 HB THR A 20 5.506 11.725 -8.067 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.422 10.274 -9.796 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.910 11.705 -8.620 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.682 11.779 -6.856 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.137 10.243 -7.631 1.00 0.00 H new ATOM 274 N ILE A 21 5.591 10.488 -4.359 1.00 0.00 N ATOM 275 CA ILE A 21 5.338 11.235 -3.138 1.00 0.00 C ATOM 276 C ILE A 21 6.540 12.132 -2.836 1.00 0.00 C ATOM 277 O ILE A 21 7.655 11.851 -3.273 1.00 0.00 O ATOM 278 CB ILE A 21 4.976 10.287 -1.994 1.00 0.00 C ATOM 279 CG1 ILE A 21 3.805 9.381 -2.383 1.00 0.00 C ATOM 280 CG2 ILE A 21 4.697 11.063 -0.706 1.00 0.00 C ATOM 281 CD1 ILE A 21 4.027 7.953 -1.880 1.00 0.00 C ATOM 0 H ILE A 21 6.105 9.617 -4.227 1.00 0.00 H new ATOM 0 HA ILE A 21 4.475 11.889 -3.264 1.00 0.00 H new ATOM 0 HB ILE A 21 5.833 9.641 -1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.879 9.778 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.689 9.375 -3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.442 10.365 0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.584 11.629 -0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.865 11.749 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.181 7.330 -2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.941 7.551 -2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.118 7.960 -0.794 1.00 0.00 H new ATOM 293 N LEU A 22 6.273 13.195 -2.091 1.00 0.00 N ATOM 294 CA LEU A 22 7.319 14.135 -1.725 1.00 0.00 C ATOM 295 C LEU A 22 7.578 14.042 -0.220 1.00 0.00 C ATOM 296 O LEU A 22 6.641 13.940 0.570 1.00 0.00 O ATOM 297 CB LEU A 22 6.963 15.544 -2.202 1.00 0.00 C ATOM 298 CG LEU A 22 7.643 16.007 -3.492 1.00 0.00 C ATOM 299 CD1 LEU A 22 7.426 17.505 -3.719 1.00 0.00 C ATOM 300 CD2 LEU A 22 9.127 15.637 -3.493 1.00 0.00 C ATOM 0 H LEU A 22 5.347 13.426 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 22 8.253 13.880 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.884 15.596 -2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.214 16.249 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 22 7.180 15.484 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.919 17.808 -4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.358 17.711 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.846 18.064 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.586 15.978 -4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.622 16.114 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.232 14.555 -3.412 1.00 0.00 H new ATOM 312 N ARG A 23 8.855 14.081 0.131 1.00 0.00 N ATOM 313 CA ARG A 23 9.250 14.002 1.527 1.00 0.00 C ATOM 314 C ARG A 23 9.495 15.404 2.089 1.00 0.00 C ATOM 315 O ARG A 23 9.835 16.324 1.346 1.00 0.00 O ATOM 316 CB ARG A 23 10.519 13.164 1.694 1.00 0.00 C ATOM 317 CG ARG A 23 10.398 12.218 2.891 1.00 0.00 C ATOM 318 CD ARG A 23 11.571 11.237 2.935 1.00 0.00 C ATOM 319 NE ARG A 23 11.100 9.904 3.373 1.00 0.00 N ATOM 320 CZ ARG A 23 10.978 9.535 4.656 1.00 0.00 C ATOM 321 NH1 ARG A 23 11.293 10.395 5.633 1.00 0.00 N ATOM 322 NH2 ARG A 23 10.543 8.305 4.960 1.00 0.00 N ATOM 0 H ARG A 23 9.629 14.166 -0.527 1.00 0.00 H new ATOM 0 HA ARG A 23 8.438 13.524 2.075 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.700 12.587 0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.378 13.821 1.831 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.368 12.796 3.814 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.460 11.666 2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.031 11.163 1.950 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.337 11.604 3.618 1.00 0.00 H new ATOM 0 HE ARG A 23 10.853 9.224 2.654 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.626 11.331 5.401 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.200 10.114 6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.305 7.650 4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.450 8.024 5.936 1.00 0.00 H new ATOM 381 N LEU A 28 5.791 10.197 4.478 1.00 0.00 N ATOM 382 CA LEU A 28 4.627 9.754 3.729 1.00 0.00 C ATOM 383 C LEU A 28 3.436 9.619 4.680 1.00 0.00 C ATOM 384 O LEU A 28 3.569 9.837 5.883 1.00 0.00 O ATOM 385 CB LEU A 28 4.944 8.472 2.956 1.00 0.00 C ATOM 386 CG LEU A 28 6.386 8.322 2.469 1.00 0.00 C ATOM 387 CD1 LEU A 28 6.580 6.998 1.728 1.00 0.00 C ATOM 388 CD2 LEU A 28 6.805 9.522 1.617 1.00 0.00 C ATOM 0 HA LEU A 28 4.353 10.494 2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.706 7.619 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.282 8.420 2.092 1.00 0.00 H new ATOM 0 HG LEU A 28 7.040 8.302 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.614 6.917 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.350 6.169 2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.915 6.963 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.834 9.390 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.150 9.599 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.730 10.433 2.210 1.00 0.00 H new ATOM 400 N GLY A 29 2.297 9.261 4.104 1.00 0.00 N ATOM 401 CA GLY A 29 1.083 9.095 4.885 1.00 0.00 C ATOM 402 C GLY A 29 0.240 7.937 4.348 1.00 0.00 C ATOM 403 O GLY A 29 -0.872 8.145 3.865 1.00 0.00 O ATOM 0 H GLY A 29 2.190 9.081 3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.340 8.910 5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.501 10.016 4.859 1.00 0.00 H new ATOM 407 N ILE A 30 0.802 6.741 4.451 1.00 0.00 N ATOM 408 CA ILE A 30 0.115 5.549 3.981 1.00 0.00 C ATOM 409 C ILE A 30 0.429 4.383 4.920 1.00 0.00 C ATOM 410 O ILE A 30 1.216 4.527 5.854 1.00 0.00 O ATOM 411 CB ILE A 30 0.464 5.272 2.518 1.00 0.00 C ATOM 412 CG1 ILE A 30 1.976 5.332 2.293 1.00 0.00 C ATOM 413 CG2 ILE A 30 -0.293 6.220 1.585 1.00 0.00 C ATOM 414 CD1 ILE A 30 2.536 3.948 1.958 1.00 0.00 C ATOM 0 H ILE A 30 1.724 6.572 4.853 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.965 5.696 4.004 1.00 0.00 H new ATOM 0 HB ILE A 30 0.144 4.258 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.199 6.025 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.465 5.720 3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.027 6.002 0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.366 6.084 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.026 7.251 1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.613 4.019 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.332 3.264 2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.062 3.574 1.050 1.00 0.00 H new ATOM 426 N SER A 31 -0.203 3.252 4.639 1.00 0.00 N ATOM 427 CA SER A 31 -0.001 2.061 5.446 1.00 0.00 C ATOM 428 C SER A 31 0.054 0.824 4.549 1.00 0.00 C ATOM 429 O SER A 31 -0.496 0.826 3.448 1.00 0.00 O ATOM 430 CB SER A 31 -1.108 1.911 6.491 1.00 0.00 C ATOM 431 OG SER A 31 -0.935 2.806 7.586 1.00 0.00 O ATOM 0 H SER A 31 -0.855 3.136 3.863 1.00 0.00 H new ATOM 0 HA SER A 31 0.948 2.161 5.973 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.075 2.094 6.023 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.121 0.885 6.860 1.00 0.00 H new ATOM 0 HG SER A 31 -0.272 3.488 7.350 1.00 0.00 H new ATOM 437 N ILE A 32 0.722 -0.204 5.052 1.00 0.00 N ATOM 438 CA ILE A 32 0.855 -1.446 4.310 1.00 0.00 C ATOM 439 C ILE A 32 0.226 -2.586 5.113 1.00 0.00 C ATOM 440 O ILE A 32 -0.031 -2.441 6.307 1.00 0.00 O ATOM 441 CB ILE A 32 2.319 -1.692 3.936 1.00 0.00 C ATOM 442 CG1 ILE A 32 3.170 -1.931 5.185 1.00 0.00 C ATOM 443 CG2 ILE A 32 2.866 -0.548 3.080 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.512 -2.569 4.819 1.00 0.00 C ATOM 0 H ILE A 32 1.177 -0.202 5.965 1.00 0.00 H new ATOM 0 HA ILE A 32 0.314 -1.385 3.366 1.00 0.00 H new ATOM 0 HB ILE A 32 2.370 -2.598 3.332 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.341 -0.985 5.700 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.632 -2.578 5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.908 -0.748 2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.281 -0.467 2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.800 0.387 3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.098 -2.728 5.724 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.338 -3.526 4.326 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.057 -1.908 4.145 1.00 0.00 H new ATOM 456 N ALA A 33 -0.006 -3.694 4.425 1.00 0.00 N ATOM 457 CA ALA A 33 -0.601 -4.858 5.059 1.00 0.00 C ATOM 458 C ALA A 33 -0.439 -6.072 4.142 1.00 0.00 C ATOM 459 O ALA A 33 -0.953 -6.084 3.025 1.00 0.00 O ATOM 460 CB ALA A 33 -2.067 -4.567 5.387 1.00 0.00 C ATOM 0 H ALA A 33 0.207 -3.810 3.434 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.095 -5.084 5.998 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.514 -5.440 5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.126 -3.715 6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.607 -4.338 4.468 1.00 0.00 H new ATOM 466 N GLY A 34 0.279 -7.064 4.649 1.00 0.00 N ATOM 467 CA GLY A 34 0.516 -8.280 3.889 1.00 0.00 C ATOM 468 C GLY A 34 2.004 -8.636 3.875 1.00 0.00 C ATOM 469 O GLY A 34 2.741 -8.274 4.790 1.00 0.00 O ATOM 0 H GLY A 34 0.704 -7.050 5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.054 -9.101 4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.160 -8.150 2.867 1.00 0.00 H new ATOM 473 N GLY A 35 2.400 -9.343 2.827 1.00 0.00 N ATOM 474 CA GLY A 35 3.787 -9.752 2.681 1.00 0.00 C ATOM 475 C GLY A 35 3.936 -11.262 2.877 1.00 0.00 C ATOM 476 O GLY A 35 3.197 -11.867 3.652 1.00 0.00 O ATOM 0 H GLY A 35 1.785 -9.643 2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.150 -9.472 1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.404 -9.224 3.408 1.00 0.00 H new ATOM 480 N LYS A 36 4.896 -11.828 2.160 1.00 0.00 N ATOM 481 CA LYS A 36 5.151 -13.256 2.244 1.00 0.00 C ATOM 482 C LYS A 36 5.032 -13.705 3.702 1.00 0.00 C ATOM 483 O LYS A 36 5.620 -13.094 4.594 1.00 0.00 O ATOM 484 CB LYS A 36 6.497 -13.598 1.603 1.00 0.00 C ATOM 485 CG LYS A 36 6.920 -15.028 1.946 1.00 0.00 C ATOM 486 CD LYS A 36 8.390 -15.265 1.593 1.00 0.00 C ATOM 487 CE LYS A 36 8.625 -15.108 0.090 1.00 0.00 C ATOM 488 NZ LYS A 36 10.062 -15.262 -0.229 1.00 0.00 N ATOM 0 H LYS A 36 5.507 -11.323 1.518 1.00 0.00 H new ATOM 0 HA LYS A 36 4.404 -13.811 1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.428 -13.485 0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.257 -12.897 1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.763 -15.212 3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.293 -15.736 1.404 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.017 -14.560 2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.687 -16.265 1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.044 -15.852 -0.455 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.277 -14.129 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.204 -15.153 -1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.609 -14.536 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.384 -16.206 0.066 1.00 0.00 H new ATOM 502 N GLY A 37 4.268 -14.769 3.899 1.00 0.00 N ATOM 503 CA GLY A 37 4.065 -15.308 5.233 1.00 0.00 C ATOM 504 C GLY A 37 2.836 -14.682 5.896 1.00 0.00 C ATOM 505 O GLY A 37 1.929 -15.392 6.328 1.00 0.00 O ATOM 0 H GLY A 37 3.782 -15.273 3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.941 -16.390 5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.948 -15.119 5.844 1.00 0.00 H new ATOM 509 N SER A 38 2.845 -13.358 5.955 1.00 0.00 N ATOM 510 CA SER A 38 1.742 -12.628 6.558 1.00 0.00 C ATOM 511 C SER A 38 0.468 -12.834 5.737 1.00 0.00 C ATOM 512 O SER A 38 0.533 -13.181 4.558 1.00 0.00 O ATOM 513 CB SER A 38 2.066 -11.137 6.671 1.00 0.00 C ATOM 514 OG SER A 38 2.800 -10.838 7.855 1.00 0.00 O ATOM 0 H SER A 38 3.598 -12.772 5.595 1.00 0.00 H new ATOM 0 HA SER A 38 1.584 -13.015 7.565 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.641 -10.824 5.799 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.139 -10.563 6.664 1.00 0.00 H new ATOM 0 HG SER A 38 2.989 -9.877 7.889 1.00 0.00 H new ATOM 520 N THR A 39 -0.662 -12.611 6.391 1.00 0.00 N ATOM 521 CA THR A 39 -1.950 -12.768 5.737 1.00 0.00 C ATOM 522 C THR A 39 -2.124 -11.712 4.644 1.00 0.00 C ATOM 523 O THR A 39 -1.643 -10.588 4.779 1.00 0.00 O ATOM 524 CB THR A 39 -3.037 -12.715 6.812 1.00 0.00 C ATOM 525 OG1 THR A 39 -3.006 -14.012 7.402 1.00 0.00 O ATOM 526 CG2 THR A 39 -4.443 -12.608 6.219 1.00 0.00 C ATOM 0 H THR A 39 -0.713 -12.323 7.368 1.00 0.00 H new ATOM 0 HA THR A 39 -2.022 -13.731 5.231 1.00 0.00 H new ATOM 0 HB THR A 39 -2.855 -11.865 7.469 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.680 -14.065 8.112 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.176 -12.574 7.025 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.518 -11.699 5.622 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.638 -13.475 5.587 1.00 0.00 H new ATOM 534 N PRO A 40 -2.833 -12.121 3.558 1.00 0.00 N ATOM 535 CA PRO A 40 -3.078 -11.222 2.442 1.00 0.00 C ATOM 536 C PRO A 40 -4.149 -10.188 2.795 1.00 0.00 C ATOM 537 O PRO A 40 -5.186 -10.532 3.360 1.00 0.00 O ATOM 538 CB PRO A 40 -3.483 -12.127 1.290 1.00 0.00 C ATOM 539 CG PRO A 40 -3.900 -13.445 1.922 1.00 0.00 C ATOM 540 CD PRO A 40 -3.419 -13.444 3.364 1.00 0.00 C ATOM 0 HA PRO A 40 -2.201 -10.631 2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.303 -11.690 0.720 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.654 -12.271 0.597 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.983 -13.562 1.881 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.468 -14.284 1.376 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.243 -13.618 4.056 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.685 -14.231 3.537 1.00 0.00 H new ATOM 548 N TYR A 41 -3.861 -8.943 2.447 1.00 0.00 N ATOM 549 CA TYR A 41 -4.786 -7.857 2.719 1.00 0.00 C ATOM 550 C TYR A 41 -6.126 -8.088 2.016 1.00 0.00 C ATOM 551 O TYR A 41 -7.179 -7.744 2.551 1.00 0.00 O ATOM 552 CB TYR A 41 -4.136 -6.595 2.149 1.00 0.00 C ATOM 553 CG TYR A 41 -4.961 -5.323 2.353 1.00 0.00 C ATOM 554 CD1 TYR A 41 -4.981 -4.704 3.587 1.00 0.00 C ATOM 555 CD2 TYR A 41 -5.685 -4.794 1.304 1.00 0.00 C ATOM 556 CE1 TYR A 41 -5.757 -3.506 3.779 1.00 0.00 C ATOM 557 CE2 TYR A 41 -6.461 -3.597 1.496 1.00 0.00 C ATOM 558 CZ TYR A 41 -6.459 -3.012 2.724 1.00 0.00 C ATOM 559 OH TYR A 41 -7.192 -1.881 2.905 1.00 0.00 O ATOM 0 H TYR A 41 -2.999 -8.662 1.979 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.982 -7.780 3.788 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.159 -6.460 2.614 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.965 -6.737 1.082 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.415 -5.118 4.408 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.669 -5.278 0.339 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.781 -3.011 4.739 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.032 -3.173 0.683 1.00 0.00 H new ATOM 0 HH TYR A 41 -6.769 -1.323 3.591 1.00 0.00 H new ATOM 569 N LYS A 42 -6.041 -8.668 0.828 1.00 0.00 N ATOM 570 CA LYS A 42 -7.234 -8.949 0.047 1.00 0.00 C ATOM 571 C LYS A 42 -6.921 -10.042 -0.978 1.00 0.00 C ATOM 572 O LYS A 42 -5.833 -10.067 -1.551 1.00 0.00 O ATOM 573 CB LYS A 42 -7.783 -7.663 -0.574 1.00 0.00 C ATOM 574 CG LYS A 42 -7.041 -7.319 -1.868 1.00 0.00 C ATOM 575 CD LYS A 42 -7.769 -6.217 -2.641 1.00 0.00 C ATOM 576 CE LYS A 42 -7.286 -4.832 -2.207 1.00 0.00 C ATOM 577 NZ LYS A 42 -8.413 -4.032 -1.678 1.00 0.00 N ATOM 0 H LYS A 42 -5.166 -8.951 0.387 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.029 -9.330 0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.847 -7.780 -0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.685 -6.841 0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.027 -6.995 -1.635 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.956 -8.210 -2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.601 -6.346 -3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.843 -6.300 -2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.514 -4.932 -1.444 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.833 -4.317 -3.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.053 -3.333 -0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.887 -3.540 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.092 -4.660 -1.203 1.00 0.00 H new ATOM 591 N GLY A 43 -7.894 -10.919 -1.176 1.00 0.00 N ATOM 592 CA GLY A 43 -7.737 -12.011 -2.121 1.00 0.00 C ATOM 593 C GLY A 43 -6.527 -12.877 -1.761 1.00 0.00 C ATOM 594 O GLY A 43 -5.674 -12.463 -0.978 1.00 0.00 O ATOM 0 H GLY A 43 -8.795 -10.895 -0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.638 -12.624 -2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.616 -11.611 -3.128 1.00 0.00 H new ATOM 598 N ASP A 44 -6.493 -14.063 -2.350 1.00 0.00 N ATOM 599 CA ASP A 44 -5.403 -14.991 -2.101 1.00 0.00 C ATOM 600 C ASP A 44 -4.166 -14.537 -2.879 1.00 0.00 C ATOM 601 O ASP A 44 -3.802 -15.145 -3.884 1.00 0.00 O ATOM 602 CB ASP A 44 -5.763 -16.402 -2.569 1.00 0.00 C ATOM 603 CG ASP A 44 -6.312 -17.324 -1.478 1.00 0.00 C ATOM 604 OD1 ASP A 44 -5.873 -17.157 -0.320 1.00 0.00 O ATOM 605 OD2 ASP A 44 -7.157 -18.176 -1.828 1.00 0.00 O ATOM 0 H ASP A 44 -7.203 -14.403 -2.999 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.210 -15.005 -1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.502 -16.327 -3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.875 -16.863 -3.001 1.00 0.00 H new ATOM 610 N ASP A 45 -3.552 -13.472 -2.383 1.00 0.00 N ATOM 611 CA ASP A 45 -2.363 -12.930 -3.018 1.00 0.00 C ATOM 612 C ASP A 45 -1.412 -12.401 -1.943 1.00 0.00 C ATOM 613 O ASP A 45 -1.737 -11.448 -1.236 1.00 0.00 O ATOM 614 CB ASP A 45 -2.717 -11.768 -3.949 1.00 0.00 C ATOM 615 CG ASP A 45 -2.720 -12.112 -5.440 1.00 0.00 C ATOM 616 OD1 ASP A 45 -2.858 -13.316 -5.744 1.00 0.00 O ATOM 617 OD2 ASP A 45 -2.585 -11.162 -6.241 1.00 0.00 O ATOM 0 H ASP A 45 -3.856 -12.970 -1.549 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.897 -13.727 -3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.703 -11.391 -3.676 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.008 -10.958 -3.780 1.00 0.00 H new ATOM 622 N GLU A 46 -0.256 -13.042 -1.853 1.00 0.00 N ATOM 623 CA GLU A 46 0.745 -12.648 -0.876 1.00 0.00 C ATOM 624 C GLU A 46 1.507 -11.415 -1.365 1.00 0.00 C ATOM 625 O GLU A 46 2.734 -11.429 -1.441 1.00 0.00 O ATOM 626 CB GLU A 46 1.703 -13.803 -0.578 1.00 0.00 C ATOM 627 CG GLU A 46 0.958 -14.989 0.036 1.00 0.00 C ATOM 628 CD GLU A 46 1.927 -16.117 0.400 1.00 0.00 C ATOM 629 OE1 GLU A 46 2.663 -16.549 -0.514 1.00 0.00 O ATOM 630 OE2 GLU A 46 1.910 -16.521 1.582 1.00 0.00 O ATOM 0 H GLU A 46 0.010 -13.832 -2.441 1.00 0.00 H new ATOM 0 HA GLU A 46 0.237 -12.391 0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.198 -14.116 -1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.483 -13.466 0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.421 -14.664 0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.212 -15.358 -0.668 1.00 0.00 H new ATOM 637 N GLY A 47 0.747 -10.377 -1.682 1.00 0.00 N ATOM 638 CA GLY A 47 1.335 -9.138 -2.161 1.00 0.00 C ATOM 639 C GLY A 47 1.210 -8.030 -1.113 1.00 0.00 C ATOM 640 O GLY A 47 0.446 -8.158 -0.158 1.00 0.00 O ATOM 0 H GLY A 47 -0.271 -10.369 -1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.386 -9.299 -2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.841 -8.829 -3.082 1.00 0.00 H new ATOM 644 N ILE A 48 1.973 -6.968 -1.327 1.00 0.00 N ATOM 645 CA ILE A 48 1.957 -5.839 -0.412 1.00 0.00 C ATOM 646 C ILE A 48 0.901 -4.832 -0.870 1.00 0.00 C ATOM 647 O ILE A 48 1.071 -4.170 -1.892 1.00 0.00 O ATOM 648 CB ILE A 48 3.359 -5.241 -0.276 1.00 0.00 C ATOM 649 CG1 ILE A 48 4.309 -6.221 0.417 1.00 0.00 C ATOM 650 CG2 ILE A 48 3.310 -3.888 0.438 1.00 0.00 C ATOM 651 CD1 ILE A 48 3.709 -6.732 1.728 1.00 0.00 C ATOM 0 H ILE A 48 2.606 -6.865 -2.120 1.00 0.00 H new ATOM 0 HA ILE A 48 1.675 -6.164 0.590 1.00 0.00 H new ATOM 0 HB ILE A 48 3.754 -5.064 -1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.516 -7.062 -0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.262 -5.730 0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.319 -3.484 0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.689 -3.198 -0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.887 -4.017 1.434 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.404 -7.426 2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.526 -5.891 2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.769 -7.243 1.523 1.00 0.00 H new ATOM 663 N PHE A 49 -0.168 -4.749 -0.091 1.00 0.00 N ATOM 664 CA PHE A 49 -1.253 -3.834 -0.403 1.00 0.00 C ATOM 665 C PHE A 49 -1.352 -2.723 0.644 1.00 0.00 C ATOM 666 O PHE A 49 -0.909 -2.894 1.779 1.00 0.00 O ATOM 667 CB PHE A 49 -2.546 -4.651 -0.387 1.00 0.00 C ATOM 668 CG PHE A 49 -2.742 -5.531 -1.623 1.00 0.00 C ATOM 669 CD1 PHE A 49 -1.787 -6.433 -1.974 1.00 0.00 C ATOM 670 CD2 PHE A 49 -3.871 -5.410 -2.372 1.00 0.00 C ATOM 671 CE1 PHE A 49 -1.969 -7.250 -3.122 1.00 0.00 C ATOM 672 CE2 PHE A 49 -4.053 -6.226 -3.519 1.00 0.00 C ATOM 673 CZ PHE A 49 -3.099 -7.129 -3.870 1.00 0.00 C ATOM 0 H PHE A 49 -0.306 -5.301 0.756 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.079 -3.368 -1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.553 -5.283 0.501 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.393 -3.970 -0.301 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.890 -6.528 -1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.629 -4.693 -2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.211 -7.967 -3.401 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.950 -6.130 -4.113 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.238 -7.750 -4.742 1.00 0.00 H new ATOM 683 N ILE A 50 -1.935 -1.609 0.225 1.00 0.00 N ATOM 684 CA ILE A 50 -2.098 -0.471 1.113 1.00 0.00 C ATOM 685 C ILE A 50 -3.126 -0.814 2.193 1.00 0.00 C ATOM 686 O ILE A 50 -4.142 -1.448 1.909 1.00 0.00 O ATOM 687 CB ILE A 50 -2.443 0.787 0.313 1.00 0.00 C ATOM 688 CG1 ILE A 50 -1.364 1.086 -0.731 1.00 0.00 C ATOM 689 CG2 ILE A 50 -2.687 1.978 1.242 1.00 0.00 C ATOM 690 CD1 ILE A 50 0.035 0.882 -0.147 1.00 0.00 C ATOM 0 H ILE A 50 -2.300 -1.471 -0.717 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.161 -0.250 1.624 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.372 0.604 -0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.499 0.436 -1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.469 2.112 -1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.930 2.859 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.516 1.752 1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.789 2.172 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.783 1.101 -0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.176 1.551 0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.145 -0.151 0.183 1.00 0.00 H new ATOM 702 N SER A 51 -2.828 -0.381 3.408 1.00 0.00 N ATOM 703 CA SER A 51 -3.714 -0.634 4.532 1.00 0.00 C ATOM 704 C SER A 51 -4.430 0.656 4.935 1.00 0.00 C ATOM 705 O SER A 51 -5.490 0.613 5.558 1.00 0.00 O ATOM 706 CB SER A 51 -2.943 -1.207 5.723 1.00 0.00 C ATOM 707 OG SER A 51 -3.741 -1.254 6.902 1.00 0.00 O ATOM 0 H SER A 51 -1.985 0.144 3.640 1.00 0.00 H new ATOM 0 HA SER A 51 -4.455 -1.372 4.224 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.595 -2.211 5.480 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.058 -0.599 5.908 1.00 0.00 H new ATOM 0 HG SER A 51 -3.214 -1.627 7.639 1.00 0.00 H new ATOM 713 N ARG A 52 -3.824 1.774 4.562 1.00 0.00 N ATOM 714 CA ARG A 52 -4.391 3.074 4.876 1.00 0.00 C ATOM 715 C ARG A 52 -3.747 4.158 4.010 1.00 0.00 C ATOM 716 O ARG A 52 -2.586 4.038 3.621 1.00 0.00 O ATOM 717 CB ARG A 52 -4.186 3.421 6.352 1.00 0.00 C ATOM 718 CG ARG A 52 -5.393 4.179 6.909 1.00 0.00 C ATOM 719 CD ARG A 52 -4.952 5.258 7.901 1.00 0.00 C ATOM 720 NE ARG A 52 -6.109 6.102 8.278 1.00 0.00 N ATOM 721 CZ ARG A 52 -7.052 5.736 9.156 1.00 0.00 C ATOM 722 NH1 ARG A 52 -6.982 4.539 9.754 1.00 0.00 N ATOM 723 NH2 ARG A 52 -8.065 6.566 9.437 1.00 0.00 N ATOM 0 H ARG A 52 -2.945 1.806 4.045 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.460 3.028 4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.029 2.508 6.926 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.287 4.027 6.466 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.949 4.637 6.091 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.070 3.481 7.402 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.525 4.794 8.790 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.171 5.875 7.457 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.193 7.020 7.841 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.211 3.907 9.541 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.700 4.260 10.423 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.119 7.477 8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.783 6.287 10.106 1.00 0.00 H new ATOM 737 N VAL A 53 -4.528 5.191 3.733 1.00 0.00 N ATOM 738 CA VAL A 53 -4.048 6.296 2.920 1.00 0.00 C ATOM 739 C VAL A 53 -4.406 7.618 3.601 1.00 0.00 C ATOM 740 O VAL A 53 -5.554 8.055 3.550 1.00 0.00 O ATOM 741 CB VAL A 53 -4.608 6.183 1.501 1.00 0.00 C ATOM 742 CG1 VAL A 53 -4.651 7.551 0.818 1.00 0.00 C ATOM 743 CG2 VAL A 53 -3.803 5.181 0.671 1.00 0.00 C ATOM 0 H VAL A 53 -5.490 5.287 4.057 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.962 6.261 2.830 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.630 5.812 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.053 7.442 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.287 8.224 1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.643 7.962 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.223 5.120 -0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.765 5.509 0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.847 4.199 1.143 1.00 0.00 H new ATOM 753 N SER A 54 -3.401 8.218 4.222 1.00 0.00 N ATOM 754 CA SER A 54 -3.596 9.482 4.913 1.00 0.00 C ATOM 755 C SER A 54 -4.315 10.473 3.996 1.00 0.00 C ATOM 756 O SER A 54 -3.726 10.986 3.046 1.00 0.00 O ATOM 757 CB SER A 54 -2.261 10.065 5.382 1.00 0.00 C ATOM 758 OG SER A 54 -1.559 9.168 6.238 1.00 0.00 O ATOM 0 H SER A 54 -2.449 7.853 4.261 1.00 0.00 H new ATOM 0 HA SER A 54 -4.211 9.299 5.794 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.642 10.298 4.515 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.440 11.003 5.908 1.00 0.00 H new ATOM 0 HG SER A 54 -0.896 9.666 6.761 1.00 0.00 H new ATOM 764 N GLU A 55 -5.579 10.713 4.313 1.00 0.00 N ATOM 765 CA GLU A 55 -6.385 11.634 3.529 1.00 0.00 C ATOM 766 C GLU A 55 -5.672 12.981 3.395 1.00 0.00 C ATOM 767 O GLU A 55 -5.467 13.471 2.285 1.00 0.00 O ATOM 768 CB GLU A 55 -7.774 11.809 4.147 1.00 0.00 C ATOM 769 CG GLU A 55 -8.848 11.154 3.275 1.00 0.00 C ATOM 770 CD GLU A 55 -10.161 11.937 3.342 1.00 0.00 C ATOM 771 OE1 GLU A 55 -10.877 11.758 4.350 1.00 0.00 O ATOM 772 OE2 GLU A 55 -10.418 12.697 2.383 1.00 0.00 O ATOM 0 H GLU A 55 -6.065 10.286 5.102 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.517 11.213 2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.791 11.368 5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.993 12.870 4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.503 11.104 2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.014 10.129 3.605 1.00 0.00 H new ATOM 779 N GLU A 56 -5.314 13.542 4.540 1.00 0.00 N ATOM 780 CA GLU A 56 -4.628 14.823 4.564 1.00 0.00 C ATOM 781 C GLU A 56 -3.113 14.613 4.613 1.00 0.00 C ATOM 782 O GLU A 56 -2.429 15.198 5.452 1.00 0.00 O ATOM 783 CB GLU A 56 -5.102 15.677 5.742 1.00 0.00 C ATOM 784 CG GLU A 56 -6.137 16.708 5.289 1.00 0.00 C ATOM 785 CD GLU A 56 -6.711 17.470 6.486 1.00 0.00 C ATOM 786 OE1 GLU A 56 -5.898 18.085 7.209 1.00 0.00 O ATOM 787 OE2 GLU A 56 -7.949 17.421 6.649 1.00 0.00 O ATOM 0 H GLU A 56 -5.486 13.133 5.459 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.871 15.361 3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.534 15.036 6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.250 16.186 6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.677 17.410 4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.943 16.208 4.751 1.00 0.00 H new ATOM 794 N GLY A 57 -2.634 13.777 3.704 1.00 0.00 N ATOM 795 CA GLY A 57 -1.213 13.482 3.634 1.00 0.00 C ATOM 796 C GLY A 57 -0.668 13.745 2.228 1.00 0.00 C ATOM 797 O GLY A 57 -1.412 14.143 1.334 1.00 0.00 O ATOM 0 H GLY A 57 -3.205 13.295 3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.675 14.094 4.357 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.040 12.441 3.906 1.00 0.00 H new ATOM 801 N PRO A 58 0.662 13.506 2.074 1.00 0.00 N ATOM 802 CA PRO A 58 1.316 13.713 0.793 1.00 0.00 C ATOM 803 C PRO A 58 0.966 12.593 -0.189 1.00 0.00 C ATOM 804 O PRO A 58 0.991 12.795 -1.402 1.00 0.00 O ATOM 805 CB PRO A 58 2.800 13.778 1.114 1.00 0.00 C ATOM 806 CG PRO A 58 2.957 13.145 2.487 1.00 0.00 C ATOM 807 CD PRO A 58 1.576 13.035 3.111 1.00 0.00 C ATOM 0 HA PRO A 58 0.989 14.627 0.297 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.385 13.241 0.367 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.154 14.809 1.116 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.417 12.161 2.403 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.612 13.750 3.114 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.352 12.008 3.399 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.499 13.643 4.012 1.00 0.00 H new ATOM 815 N ALA A 59 0.647 11.436 0.373 1.00 0.00 N ATOM 816 CA ALA A 59 0.292 10.283 -0.437 1.00 0.00 C ATOM 817 C ALA A 59 -0.990 10.587 -1.214 1.00 0.00 C ATOM 818 O ALA A 59 -0.996 10.563 -2.444 1.00 0.00 O ATOM 819 CB ALA A 59 0.152 9.052 0.460 1.00 0.00 C ATOM 0 H ALA A 59 0.627 11.272 1.380 1.00 0.00 H new ATOM 0 HA ALA A 59 1.075 10.069 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.114 8.187 -0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.098 8.862 0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.628 9.229 1.201 1.00 0.00 H new ATOM 825 N ALA A 60 -2.047 10.866 -0.465 1.00 0.00 N ATOM 826 CA ALA A 60 -3.332 11.174 -1.068 1.00 0.00 C ATOM 827 C ALA A 60 -3.115 12.056 -2.300 1.00 0.00 C ATOM 828 O ALA A 60 -3.849 11.950 -3.281 1.00 0.00 O ATOM 829 CB ALA A 60 -4.238 11.838 -0.029 1.00 0.00 C ATOM 0 H ALA A 60 -2.039 10.885 0.555 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.828 10.262 -1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.202 12.069 -0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.385 11.160 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.773 12.758 0.324 1.00 0.00 H new ATOM 835 N ARG A 61 -2.102 12.906 -2.208 1.00 0.00 N ATOM 836 CA ARG A 61 -1.779 13.805 -3.302 1.00 0.00 C ATOM 837 C ARG A 61 -1.098 13.037 -4.437 1.00 0.00 C ATOM 838 O ARG A 61 -1.478 13.174 -5.599 1.00 0.00 O ATOM 839 CB ARG A 61 -0.857 14.933 -2.834 1.00 0.00 C ATOM 840 CG ARG A 61 -1.510 15.747 -1.716 1.00 0.00 C ATOM 841 CD ARG A 61 -1.008 17.192 -1.724 1.00 0.00 C ATOM 842 NE ARG A 61 -2.156 18.126 -1.729 1.00 0.00 N ATOM 843 CZ ARG A 61 -2.070 19.421 -2.066 1.00 0.00 C ATOM 844 NH1 ARG A 61 -0.889 19.942 -2.426 1.00 0.00 N ATOM 845 NH2 ARG A 61 -3.164 20.194 -2.041 1.00 0.00 N ATOM 0 H ARG A 61 -1.495 12.991 -1.393 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.712 14.239 -3.661 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.085 14.514 -2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.621 15.586 -3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.593 15.734 -1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.292 15.288 -0.752 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.384 17.374 -0.849 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.384 17.364 -2.601 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.070 17.762 -1.459 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.056 19.354 -2.444 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.823 20.927 -2.682 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.062 19.797 -1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.098 21.179 -2.297 1.00 0.00 H new ATOM 859 N ALA A 62 -0.105 12.245 -4.060 1.00 0.00 N ATOM 860 CA ALA A 62 0.632 11.455 -5.032 1.00 0.00 C ATOM 861 C ALA A 62 -0.356 10.708 -5.930 1.00 0.00 C ATOM 862 O ALA A 62 -0.149 10.608 -7.138 1.00 0.00 O ATOM 863 CB ALA A 62 1.587 10.509 -4.302 1.00 0.00 C ATOM 0 H ALA A 62 0.206 12.133 -3.095 1.00 0.00 H new ATOM 0 HA ALA A 62 1.236 12.099 -5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.140 9.916 -5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.287 11.090 -3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.016 9.845 -3.653 1.00 0.00 H new ATOM 869 N GLY A 63 -1.409 10.202 -5.304 1.00 0.00 N ATOM 870 CA GLY A 63 -2.430 9.466 -6.031 1.00 0.00 C ATOM 871 C GLY A 63 -2.516 8.019 -5.542 1.00 0.00 C ATOM 872 O GLY A 63 -2.848 7.119 -6.312 1.00 0.00 O ATOM 0 H GLY A 63 -1.577 10.287 -4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.396 9.955 -5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.204 9.480 -7.097 1.00 0.00 H new ATOM 876 N VAL A 64 -2.211 7.840 -4.265 1.00 0.00 N ATOM 877 CA VAL A 64 -2.250 6.518 -3.665 1.00 0.00 C ATOM 878 C VAL A 64 -3.691 6.181 -3.277 1.00 0.00 C ATOM 879 O VAL A 64 -4.479 7.073 -2.969 1.00 0.00 O ATOM 880 CB VAL A 64 -1.281 6.452 -2.482 1.00 0.00 C ATOM 881 CG1 VAL A 64 -1.814 7.253 -1.292 1.00 0.00 C ATOM 882 CG2 VAL A 64 -1.000 5.002 -2.084 1.00 0.00 C ATOM 0 H VAL A 64 -1.936 8.589 -3.630 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.921 5.764 -4.380 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.339 6.902 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.107 7.190 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.940 8.296 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.775 6.845 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.309 4.983 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.933 4.516 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.558 4.472 -2.928 1.00 0.00 H new ATOM 892 N ARG A 65 -3.991 4.891 -3.306 1.00 0.00 N ATOM 893 CA ARG A 65 -5.323 4.424 -2.961 1.00 0.00 C ATOM 894 C ARG A 65 -5.240 3.129 -2.151 1.00 0.00 C ATOM 895 O ARG A 65 -4.447 2.244 -2.470 1.00 0.00 O ATOM 896 CB ARG A 65 -6.163 4.180 -4.217 1.00 0.00 C ATOM 897 CG ARG A 65 -6.607 5.502 -4.846 1.00 0.00 C ATOM 898 CD ARG A 65 -5.973 5.692 -6.225 1.00 0.00 C ATOM 899 NE ARG A 65 -6.005 7.123 -6.604 1.00 0.00 N ATOM 900 CZ ARG A 65 -5.760 7.578 -7.840 1.00 0.00 C ATOM 901 NH1 ARG A 65 -5.465 6.719 -8.825 1.00 0.00 N ATOM 902 NH2 ARG A 65 -5.811 8.894 -8.091 1.00 0.00 N ATOM 0 H ARG A 65 -3.334 4.154 -3.563 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.801 5.199 -2.362 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.584 3.606 -4.940 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.038 3.582 -3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.693 5.520 -4.935 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -6.327 6.331 -4.196 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.944 5.333 -6.214 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.509 5.099 -6.966 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.227 7.805 -5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.427 5.718 -8.634 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.279 7.066 -9.766 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.036 9.548 -7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.625 9.241 -9.032 1.00 0.00 H new ATOM 916 N VAL A 66 -6.068 3.059 -1.119 1.00 0.00 N ATOM 917 CA VAL A 66 -6.098 1.887 -0.262 1.00 0.00 C ATOM 918 C VAL A 66 -6.435 0.654 -1.102 1.00 0.00 C ATOM 919 O VAL A 66 -7.313 0.705 -1.962 1.00 0.00 O ATOM 920 CB VAL A 66 -7.075 2.109 0.894 1.00 0.00 C ATOM 921 CG1 VAL A 66 -7.283 0.819 1.691 1.00 0.00 C ATOM 922 CG2 VAL A 66 -6.602 3.245 1.803 1.00 0.00 C ATOM 0 H VAL A 66 -6.723 3.796 -0.857 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.119 1.716 0.186 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.036 2.399 0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.982 1.004 2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.687 0.047 1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.329 0.486 2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.315 3.381 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.624 2.998 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.530 4.167 1.226 1.00 0.00 H new ATOM 932 N GLY A 67 -5.720 -0.427 -0.823 1.00 0.00 N ATOM 933 CA GLY A 67 -5.933 -1.671 -1.543 1.00 0.00 C ATOM 934 C GLY A 67 -4.994 -1.776 -2.746 1.00 0.00 C ATOM 935 O GLY A 67 -4.955 -2.804 -3.420 1.00 0.00 O ATOM 0 H GLY A 67 -4.993 -0.467 -0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.768 -2.515 -0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.968 -1.728 -1.879 1.00 0.00 H new ATOM 939 N ASP A 68 -4.261 -0.697 -2.980 1.00 0.00 N ATOM 940 CA ASP A 68 -3.324 -0.655 -4.090 1.00 0.00 C ATOM 941 C ASP A 68 -2.256 -1.733 -3.893 1.00 0.00 C ATOM 942 O ASP A 68 -1.573 -1.754 -2.870 1.00 0.00 O ATOM 943 CB ASP A 68 -2.619 0.701 -4.165 1.00 0.00 C ATOM 944 CG ASP A 68 -3.192 1.671 -5.200 1.00 0.00 C ATOM 945 OD1 ASP A 68 -3.260 1.267 -6.381 1.00 0.00 O ATOM 946 OD2 ASP A 68 -3.550 2.795 -4.787 1.00 0.00 O ATOM 0 H ASP A 68 -4.297 0.155 -2.420 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.884 -0.822 -5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.665 1.172 -3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.566 0.534 -4.390 1.00 0.00 H new ATOM 951 N LYS A 69 -2.146 -2.601 -4.887 1.00 0.00 N ATOM 952 CA LYS A 69 -1.173 -3.679 -4.835 1.00 0.00 C ATOM 953 C LYS A 69 0.199 -3.142 -5.248 1.00 0.00 C ATOM 954 O LYS A 69 0.509 -3.067 -6.436 1.00 0.00 O ATOM 955 CB LYS A 69 -1.646 -4.868 -5.674 1.00 0.00 C ATOM 956 CG LYS A 69 -0.565 -5.949 -5.750 1.00 0.00 C ATOM 957 CD LYS A 69 -0.899 -6.983 -6.828 1.00 0.00 C ATOM 958 CE LYS A 69 0.072 -8.164 -6.774 1.00 0.00 C ATOM 959 NZ LYS A 69 1.219 -7.933 -7.681 1.00 0.00 N ATOM 0 H LYS A 69 -2.715 -2.580 -5.734 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.075 -4.055 -3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.554 -5.286 -5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.900 -4.531 -6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.399 -5.490 -5.968 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.471 -6.443 -4.783 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.920 -7.340 -6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.854 -6.516 -7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.430 -8.302 -5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.445 -9.081 -7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.749 -8.820 -7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.871 -7.607 -8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.845 -7.210 -7.272 1.00 0.00 H new ATOM 973 N LEU A 70 0.984 -2.781 -4.243 1.00 0.00 N ATOM 974 CA LEU A 70 2.316 -2.253 -4.487 1.00 0.00 C ATOM 975 C LEU A 70 3.123 -3.271 -5.295 1.00 0.00 C ATOM 976 O LEU A 70 2.952 -4.477 -5.129 1.00 0.00 O ATOM 977 CB LEU A 70 2.980 -1.848 -3.169 1.00 0.00 C ATOM 978 CG LEU A 70 3.466 -0.399 -3.081 1.00 0.00 C ATOM 979 CD1 LEU A 70 4.212 -0.150 -1.769 1.00 0.00 C ATOM 980 CD2 LEU A 70 4.312 -0.030 -4.301 1.00 0.00 C ATOM 0 H LEU A 70 0.723 -2.844 -3.259 1.00 0.00 H new ATOM 0 HA LEU A 70 2.262 -1.343 -5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.272 -2.023 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.831 -2.507 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 70 2.594 0.255 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.547 0.887 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.546 -0.347 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.076 -0.812 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.645 1.004 -4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.180 -0.687 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.715 -0.144 -5.206 1.00 0.00 H new ATOM 992 N LEU A 71 3.987 -2.746 -6.152 1.00 0.00 N ATOM 993 CA LEU A 71 4.821 -3.594 -6.987 1.00 0.00 C ATOM 994 C LEU A 71 6.292 -3.240 -6.756 1.00 0.00 C ATOM 995 O LEU A 71 7.143 -4.125 -6.684 1.00 0.00 O ATOM 996 CB LEU A 71 4.388 -3.498 -8.451 1.00 0.00 C ATOM 997 CG LEU A 71 2.879 -3.437 -8.701 1.00 0.00 C ATOM 998 CD1 LEU A 71 2.579 -2.965 -10.125 1.00 0.00 C ATOM 999 CD2 LEU A 71 2.217 -4.780 -8.390 1.00 0.00 C ATOM 0 H LEU A 71 4.127 -1.745 -6.286 1.00 0.00 H new ATOM 0 HA LEU A 71 4.697 -4.641 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.845 -2.610 -8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.790 -4.358 -8.986 1.00 0.00 H new ATOM 0 HG LEU A 71 2.449 -2.702 -8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.500 -2.930 -10.277 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.999 -1.970 -10.275 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.024 -3.658 -10.839 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.145 -4.709 -8.576 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.646 -5.553 -9.028 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.388 -5.036 -7.344 1.00 0.00 H new ATOM 1011 N GLU A 72 6.545 -1.944 -6.647 1.00 0.00 N ATOM 1012 CA GLU A 72 7.898 -1.462 -6.427 1.00 0.00 C ATOM 1013 C GLU A 72 7.871 -0.142 -5.653 1.00 0.00 C ATOM 1014 O GLU A 72 6.932 0.641 -5.787 1.00 0.00 O ATOM 1015 CB GLU A 72 8.648 -1.306 -7.751 1.00 0.00 C ATOM 1016 CG GLU A 72 9.807 -0.318 -7.612 1.00 0.00 C ATOM 1017 CD GLU A 72 9.319 1.124 -7.767 1.00 0.00 C ATOM 1018 OE1 GLU A 72 8.802 1.434 -8.863 1.00 0.00 O ATOM 1019 OE2 GLU A 72 9.474 1.884 -6.787 1.00 0.00 O ATOM 0 H GLU A 72 5.836 -1.213 -6.707 1.00 0.00 H new ATOM 0 HA GLU A 72 8.433 -2.201 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.028 -2.275 -8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.961 -0.960 -8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.281 -0.443 -6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.565 -0.532 -8.366 1.00 0.00 H new ATOM 1026 N VAL A 73 8.914 0.064 -4.862 1.00 0.00 N ATOM 1027 CA VAL A 73 9.022 1.276 -4.067 1.00 0.00 C ATOM 1028 C VAL A 73 10.466 1.779 -4.105 1.00 0.00 C ATOM 1029 O VAL A 73 11.370 1.120 -3.593 1.00 0.00 O ATOM 1030 CB VAL A 73 8.517 1.017 -2.646 1.00 0.00 C ATOM 1031 CG1 VAL A 73 8.774 2.225 -1.744 1.00 0.00 C ATOM 1032 CG2 VAL A 73 7.033 0.642 -2.651 1.00 0.00 C ATOM 0 H VAL A 73 9.691 -0.588 -4.755 1.00 0.00 H new ATOM 0 HA VAL A 73 8.392 2.062 -4.483 1.00 0.00 H new ATOM 0 HB VAL A 73 9.075 0.172 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.406 2.014 -0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.844 2.427 -1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.256 3.096 -2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.699 0.463 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.453 1.457 -3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.888 -0.262 -3.243 1.00 0.00 H new ATOM 1042 N ASN A 74 10.638 2.941 -4.717 1.00 0.00 N ATOM 1043 CA ASN A 74 11.957 3.540 -4.829 1.00 0.00 C ATOM 1044 C ASN A 74 12.753 2.811 -5.914 1.00 0.00 C ATOM 1045 O ASN A 74 13.926 3.108 -6.133 1.00 0.00 O ATOM 1046 CB ASN A 74 12.731 3.419 -3.515 1.00 0.00 C ATOM 1047 CG ASN A 74 13.354 4.759 -3.120 1.00 0.00 C ATOM 1048 OD1 ASN A 74 14.562 4.918 -3.061 1.00 0.00 O ATOM 1049 ND2 ASN A 74 12.465 5.712 -2.853 1.00 0.00 N ATOM 0 H ASN A 74 9.886 3.484 -5.141 1.00 0.00 H new ATOM 0 HA ASN A 74 11.828 4.594 -5.076 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.062 3.078 -2.725 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.513 2.667 -3.617 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.781 6.642 -2.580 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.467 5.512 -2.922 1.00 0.00 H new ATOM 1056 N GLY A 75 12.082 1.872 -6.565 1.00 0.00 N ATOM 1057 CA GLY A 75 12.712 1.099 -7.622 1.00 0.00 C ATOM 1058 C GLY A 75 12.844 -0.372 -7.221 1.00 0.00 C ATOM 1059 O GLY A 75 12.976 -1.243 -8.079 1.00 0.00 O ATOM 0 H GLY A 75 11.109 1.629 -6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.124 1.179 -8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.698 1.510 -7.840 1.00 0.00 H new ATOM 1063 N VAL A 76 12.804 -0.603 -5.917 1.00 0.00 N ATOM 1064 CA VAL A 76 12.917 -1.953 -5.392 1.00 0.00 C ATOM 1065 C VAL A 76 11.611 -2.707 -5.650 1.00 0.00 C ATOM 1066 O VAL A 76 10.529 -2.198 -5.361 1.00 0.00 O ATOM 1067 CB VAL A 76 13.299 -1.908 -3.911 1.00 0.00 C ATOM 1068 CG1 VAL A 76 12.123 -1.434 -3.055 1.00 0.00 C ATOM 1069 CG2 VAL A 76 13.811 -3.269 -3.436 1.00 0.00 C ATOM 0 H VAL A 76 12.695 0.122 -5.208 1.00 0.00 H new ATOM 0 HA VAL A 76 13.712 -2.496 -5.903 1.00 0.00 H new ATOM 0 HB VAL A 76 14.108 -1.187 -3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.422 -1.411 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.824 -0.434 -3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.284 -2.119 -3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.076 -3.210 -2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.032 -4.019 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.691 -3.549 -4.015 1.00 0.00 H new ATOM 1079 N ALA A 77 11.755 -3.908 -6.191 1.00 0.00 N ATOM 1080 CA ALA A 77 10.601 -4.737 -6.491 1.00 0.00 C ATOM 1081 C ALA A 77 10.060 -5.339 -5.192 1.00 0.00 C ATOM 1082 O ALA A 77 10.701 -6.197 -4.587 1.00 0.00 O ATOM 1083 CB ALA A 77 10.992 -5.808 -7.511 1.00 0.00 C ATOM 0 H ALA A 77 12.654 -4.327 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 77 9.805 -4.140 -6.935 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.126 -6.430 -7.736 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.342 -5.329 -8.425 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.788 -6.429 -7.099 1.00 0.00 H new ATOM 1089 N LEU A 78 8.885 -4.867 -4.803 1.00 0.00 N ATOM 1090 CA LEU A 78 8.250 -5.348 -3.587 1.00 0.00 C ATOM 1091 C LEU A 78 7.315 -6.510 -3.931 1.00 0.00 C ATOM 1092 O LEU A 78 6.255 -6.658 -3.325 1.00 0.00 O ATOM 1093 CB LEU A 78 7.558 -4.198 -2.853 1.00 0.00 C ATOM 1094 CG LEU A 78 8.474 -3.254 -2.071 1.00 0.00 C ATOM 1095 CD1 LEU A 78 7.658 -2.286 -1.213 1.00 0.00 C ATOM 1096 CD2 LEU A 78 9.491 -4.039 -1.241 1.00 0.00 C ATOM 0 H LEU A 78 8.356 -4.156 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 78 8.997 -5.734 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.001 -3.610 -3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.829 -4.621 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 78 9.038 -2.654 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.333 -1.626 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.008 -1.691 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.051 -2.850 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.129 -3.344 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.966 -4.681 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.104 -4.652 -1.902 1.00 0.00 H new ATOM 1108 N GLN A 79 7.742 -7.304 -4.902 1.00 0.00 N ATOM 1109 CA GLN A 79 6.956 -8.447 -5.333 1.00 0.00 C ATOM 1110 C GLN A 79 7.255 -9.660 -4.449 1.00 0.00 C ATOM 1111 O GLN A 79 8.375 -10.167 -4.443 1.00 0.00 O ATOM 1112 CB GLN A 79 7.216 -8.766 -6.807 1.00 0.00 C ATOM 1113 CG GLN A 79 6.277 -7.968 -7.714 1.00 0.00 C ATOM 1114 CD GLN A 79 6.974 -7.584 -9.021 1.00 0.00 C ATOM 1115 OE1 GLN A 79 7.982 -6.898 -9.039 1.00 0.00 O ATOM 1116 NE2 GLN A 79 6.381 -8.063 -10.111 1.00 0.00 N ATOM 0 H GLN A 79 8.622 -7.178 -5.402 1.00 0.00 H new ATOM 0 HA GLN A 79 5.900 -8.197 -5.229 1.00 0.00 H new ATOM 0 HB2 GLN A 79 8.252 -8.534 -7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.077 -9.833 -6.982 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.387 -8.558 -7.932 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.944 -7.068 -7.197 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.539 -8.632 -10.025 1.00 0.00 H new ATOM 0 HE22 GLN A 79 6.769 -7.862 -11.033 1.00 0.00 H new ATOM 1125 N GLY A 80 6.232 -10.089 -3.724 1.00 0.00 N ATOM 1126 CA GLY A 80 6.371 -11.232 -2.838 1.00 0.00 C ATOM 1127 C GLY A 80 7.494 -11.007 -1.824 1.00 0.00 C ATOM 1128 O GLY A 80 8.299 -11.903 -1.575 1.00 0.00 O ATOM 0 H GLY A 80 5.304 -9.666 -3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.432 -11.406 -2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.579 -12.127 -3.424 1.00 0.00 H new ATOM 1132 N ALA A 81 7.511 -9.806 -1.265 1.00 0.00 N ATOM 1133 CA ALA A 81 8.523 -9.451 -0.283 1.00 0.00 C ATOM 1134 C ALA A 81 7.900 -9.473 1.114 1.00 0.00 C ATOM 1135 O ALA A 81 6.727 -9.141 1.280 1.00 0.00 O ATOM 1136 CB ALA A 81 9.120 -8.087 -0.635 1.00 0.00 C ATOM 0 H ALA A 81 6.840 -9.066 -1.473 1.00 0.00 H new ATOM 0 HA ALA A 81 9.338 -10.175 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.879 -7.821 0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.575 -8.133 -1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.332 -7.334 -0.633 1.00 0.00 H new ATOM 1142 N GLU A 82 8.713 -9.867 2.083 1.00 0.00 N ATOM 1143 CA GLU A 82 8.257 -9.936 3.461 1.00 0.00 C ATOM 1144 C GLU A 82 7.933 -8.535 3.984 1.00 0.00 C ATOM 1145 O GLU A 82 8.419 -7.540 3.447 1.00 0.00 O ATOM 1146 CB GLU A 82 9.294 -10.626 4.348 1.00 0.00 C ATOM 1147 CG GLU A 82 9.373 -12.122 4.038 1.00 0.00 C ATOM 1148 CD GLU A 82 9.356 -12.951 5.324 1.00 0.00 C ATOM 1149 OE1 GLU A 82 10.146 -12.608 6.230 1.00 0.00 O ATOM 1150 OE2 GLU A 82 8.554 -13.908 5.372 1.00 0.00 O ATOM 0 H GLU A 82 9.685 -10.142 1.941 1.00 0.00 H new ATOM 0 HA GLU A 82 7.346 -10.534 3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.271 -10.167 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.034 -10.482 5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.534 -12.410 3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.284 -12.333 3.477 1.00 0.00 H new ATOM 1157 N HIS A 83 7.115 -8.501 5.025 1.00 0.00 N ATOM 1158 CA HIS A 83 6.721 -7.238 5.626 1.00 0.00 C ATOM 1159 C HIS A 83 7.952 -6.349 5.807 1.00 0.00 C ATOM 1160 O HIS A 83 7.985 -5.220 5.318 1.00 0.00 O ATOM 1161 CB HIS A 83 5.962 -7.472 6.934 1.00 0.00 C ATOM 1162 CG HIS A 83 5.097 -6.310 7.359 1.00 0.00 C ATOM 1163 ND1 HIS A 83 3.994 -5.892 6.636 1.00 0.00 N ATOM 1164 CD2 HIS A 83 5.185 -5.482 8.440 1.00 0.00 C ATOM 1165 CE1 HIS A 83 3.450 -4.859 7.262 1.00 0.00 C ATOM 1166 NE2 HIS A 83 4.190 -4.606 8.380 1.00 0.00 N ATOM 0 H HIS A 83 6.714 -9.328 5.468 1.00 0.00 H new ATOM 0 HA HIS A 83 6.033 -6.715 4.962 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.335 -8.357 6.825 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.680 -7.685 7.726 1.00 0.00 H new ATOM 0 HD1 HIS A 83 3.657 -6.309 5.768 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.937 -5.531 9.213 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.574 -4.313 6.943 1.00 0.00 H new ATOM 1174 N HIS A 84 8.936 -6.891 6.510 1.00 0.00 N ATOM 1175 CA HIS A 84 10.167 -6.161 6.760 1.00 0.00 C ATOM 1176 C HIS A 84 10.729 -5.632 5.439 1.00 0.00 C ATOM 1177 O HIS A 84 11.005 -4.441 5.311 1.00 0.00 O ATOM 1178 CB HIS A 84 11.168 -7.030 7.524 1.00 0.00 C ATOM 1179 CG HIS A 84 11.872 -8.055 6.667 1.00 0.00 C ATOM 1180 ND1 HIS A 84 13.129 -7.845 6.127 1.00 0.00 N ATOM 1181 CD2 HIS A 84 11.482 -9.298 6.263 1.00 0.00 C ATOM 1182 CE1 HIS A 84 13.470 -8.919 5.431 1.00 0.00 C ATOM 1183 NE2 HIS A 84 12.447 -9.818 5.516 1.00 0.00 N ATOM 0 H HIS A 84 8.906 -7.827 6.914 1.00 0.00 H new ATOM 0 HA HIS A 84 9.960 -5.301 7.397 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.914 -6.385 7.987 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.646 -7.544 8.331 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.546 -9.778 6.509 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.395 -9.059 4.891 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.428 -10.739 5.077 1.00 0.00 H new ATOM 1191 N GLU A 85 10.880 -6.544 4.490 1.00 0.00 N ATOM 1192 CA GLU A 85 11.404 -6.185 3.183 1.00 0.00 C ATOM 1193 C GLU A 85 10.691 -4.940 2.650 1.00 0.00 C ATOM 1194 O GLU A 85 11.329 -4.042 2.103 1.00 0.00 O ATOM 1195 CB GLU A 85 11.277 -7.352 2.202 1.00 0.00 C ATOM 1196 CG GLU A 85 12.231 -8.488 2.576 1.00 0.00 C ATOM 1197 CD GLU A 85 12.920 -9.057 1.334 1.00 0.00 C ATOM 1198 OE1 GLU A 85 12.188 -9.359 0.367 1.00 0.00 O ATOM 1199 OE2 GLU A 85 14.163 -9.177 1.380 1.00 0.00 O ATOM 0 H GLU A 85 10.649 -7.531 4.600 1.00 0.00 H new ATOM 0 HA GLU A 85 12.464 -5.956 3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.251 -7.720 2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.495 -7.007 1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.981 -8.122 3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.679 -9.279 3.084 1.00 0.00 H new ATOM 1206 N ALA A 86 9.378 -4.927 2.828 1.00 0.00 N ATOM 1207 CA ALA A 86 8.572 -3.808 2.372 1.00 0.00 C ATOM 1208 C ALA A 86 8.964 -2.551 3.151 1.00 0.00 C ATOM 1209 O ALA A 86 9.428 -1.573 2.566 1.00 0.00 O ATOM 1210 CB ALA A 86 7.089 -4.151 2.526 1.00 0.00 C ATOM 0 H ALA A 86 8.852 -5.674 3.282 1.00 0.00 H new ATOM 0 HA ALA A 86 8.753 -3.610 1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.484 -3.311 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.856 -5.033 1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.869 -4.353 3.574 1.00 0.00 H new ATOM 1216 N VAL A 87 8.764 -2.618 4.459 1.00 0.00 N ATOM 1217 CA VAL A 87 9.092 -1.498 5.324 1.00 0.00 C ATOM 1218 C VAL A 87 10.467 -0.948 4.941 1.00 0.00 C ATOM 1219 O VAL A 87 10.594 0.223 4.584 1.00 0.00 O ATOM 1220 CB VAL A 87 9.007 -1.927 6.791 1.00 0.00 C ATOM 1221 CG1 VAL A 87 9.555 -0.837 7.714 1.00 0.00 C ATOM 1222 CG2 VAL A 87 7.572 -2.297 7.171 1.00 0.00 C ATOM 0 H VAL A 87 8.379 -3.431 4.941 1.00 0.00 H new ATOM 0 HA VAL A 87 8.371 -0.691 5.193 1.00 0.00 H new ATOM 0 HB VAL A 87 9.627 -2.815 6.917 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.483 -1.167 8.750 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.599 -0.642 7.467 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.975 0.076 7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.539 -2.598 8.218 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.922 -1.435 7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.231 -3.122 6.545 1.00 0.00 H new ATOM 1232 N GLU A 88 11.462 -1.818 5.028 1.00 0.00 N ATOM 1233 CA GLU A 88 12.823 -1.434 4.695 1.00 0.00 C ATOM 1234 C GLU A 88 12.835 -0.552 3.445 1.00 0.00 C ATOM 1235 O GLU A 88 13.319 0.578 3.483 1.00 0.00 O ATOM 1236 CB GLU A 88 13.710 -2.666 4.505 1.00 0.00 C ATOM 1237 CG GLU A 88 15.025 -2.519 5.273 1.00 0.00 C ATOM 1238 CD GLU A 88 15.994 -1.597 4.529 1.00 0.00 C ATOM 1239 OE1 GLU A 88 15.494 -0.647 3.889 1.00 0.00 O ATOM 1240 OE2 GLU A 88 17.212 -1.863 4.618 1.00 0.00 O ATOM 0 H GLU A 88 11.353 -2.788 5.324 1.00 0.00 H new ATOM 0 HA GLU A 88 13.231 -0.858 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.182 -3.555 4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.918 -2.809 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.827 -2.118 6.267 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.482 -3.499 5.410 1.00 0.00 H new ATOM 1247 N ALA A 89 12.296 -1.102 2.367 1.00 0.00 N ATOM 1248 CA ALA A 89 12.239 -0.379 1.107 1.00 0.00 C ATOM 1249 C ALA A 89 11.704 1.032 1.358 1.00 0.00 C ATOM 1250 O ALA A 89 12.367 2.017 1.038 1.00 0.00 O ATOM 1251 CB ALA A 89 11.380 -1.160 0.110 1.00 0.00 C ATOM 0 H ALA A 89 11.895 -2.039 2.340 1.00 0.00 H new ATOM 0 HA ALA A 89 13.235 -0.282 0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.337 -0.619 -0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.818 -2.144 -0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.372 -1.274 0.509 1.00 0.00 H new ATOM 1257 N LEU A 90 10.509 1.085 1.928 1.00 0.00 N ATOM 1258 CA LEU A 90 9.877 2.359 2.225 1.00 0.00 C ATOM 1259 C LEU A 90 10.904 3.295 2.865 1.00 0.00 C ATOM 1260 O LEU A 90 11.122 4.406 2.383 1.00 0.00 O ATOM 1261 CB LEU A 90 8.622 2.150 3.074 1.00 0.00 C ATOM 1262 CG LEU A 90 7.331 1.863 2.305 1.00 0.00 C ATOM 1263 CD1 LEU A 90 6.246 1.321 3.237 1.00 0.00 C ATOM 1264 CD2 LEU A 90 6.862 3.102 1.539 1.00 0.00 C ATOM 0 H LEU A 90 9.962 0.266 2.192 1.00 0.00 H new ATOM 0 HA LEU A 90 9.536 2.838 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.805 1.322 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.468 3.040 3.684 1.00 0.00 H new ATOM 0 HG LEU A 90 7.538 1.088 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.339 1.126 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.591 0.395 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.034 2.055 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.943 2.871 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.677 3.915 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.632 3.404 0.829 1.00 0.00 H new ATOM 1276 N ARG A 91 11.507 2.813 3.941 1.00 0.00 N ATOM 1277 CA ARG A 91 12.505 3.593 4.652 1.00 0.00 C ATOM 1278 C ARG A 91 13.569 4.106 3.680 1.00 0.00 C ATOM 1279 O ARG A 91 14.041 5.235 3.810 1.00 0.00 O ATOM 1280 CB ARG A 91 13.181 2.760 5.743 1.00 0.00 C ATOM 1281 CG ARG A 91 12.168 2.316 6.801 1.00 0.00 C ATOM 1282 CD ARG A 91 12.810 2.270 8.189 1.00 0.00 C ATOM 1283 NE ARG A 91 12.659 3.581 8.860 1.00 0.00 N ATOM 1284 CZ ARG A 91 13.282 3.919 9.997 1.00 0.00 C ATOM 1285 NH1 ARG A 91 14.102 3.045 10.597 1.00 0.00 N ATOM 1286 NH2 ARG A 91 13.085 5.131 10.535 1.00 0.00 N ATOM 0 H ARG A 91 11.324 1.892 4.338 1.00 0.00 H new ATOM 0 HA ARG A 91 11.996 4.437 5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.654 1.885 5.297 1.00 0.00 H new ATOM 0 HB3 ARG A 91 13.972 3.344 6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.322 3.003 6.810 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.777 1.332 6.545 1.00 0.00 H new ATOM 0 HD2 ARG A 91 12.343 1.489 8.789 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.866 2.016 8.102 1.00 0.00 H new ATOM 0 HE ARG A 91 12.042 4.270 8.430 1.00 0.00 H new ATOM 0 HH11 ARG A 91 14.252 2.123 10.188 1.00 0.00 H new ATOM 0 HH12 ARG A 91 14.576 3.302 11.463 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.461 5.796 10.079 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.559 5.388 11.401 1.00 0.00 H new ATOM 1300 N GLY A 92 13.916 3.253 2.728 1.00 0.00 N ATOM 1301 CA GLY A 92 14.915 3.606 1.734 1.00 0.00 C ATOM 1302 C GLY A 92 14.297 4.432 0.604 1.00 0.00 C ATOM 1303 O GLY A 92 13.980 3.899 -0.458 1.00 0.00 O ATOM 0 H GLY A 92 13.523 2.318 2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.718 4.172 2.206 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.362 2.700 1.325 1.00 0.00 H new ATOM 1307 N ALA A 93 14.145 5.721 0.872 1.00 0.00 N ATOM 1308 CA ALA A 93 13.571 6.626 -0.109 1.00 0.00 C ATOM 1309 C ALA A 93 13.928 8.067 0.263 1.00 0.00 C ATOM 1310 O ALA A 93 13.818 8.458 1.424 1.00 0.00 O ATOM 1311 CB ALA A 93 12.059 6.403 -0.187 1.00 0.00 C ATOM 0 H ALA A 93 14.409 6.160 1.754 1.00 0.00 H new ATOM 0 HA ALA A 93 13.982 6.429 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.629 7.082 -0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.858 5.373 -0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.612 6.595 0.789 1.00 0.00 H new ATOM 1317 N GLY A 94 14.350 8.817 -0.745 1.00 0.00 N ATOM 1318 CA GLY A 94 14.724 10.206 -0.539 1.00 0.00 C ATOM 1319 C GLY A 94 13.503 11.123 -0.636 1.00 0.00 C ATOM 1320 O GLY A 94 12.367 10.661 -0.546 1.00 0.00 O ATOM 0 H GLY A 94 14.441 8.489 -1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.191 10.319 0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.465 10.501 -1.282 1.00 0.00 H new ATOM 1324 N THR A 95 13.780 12.406 -0.818 1.00 0.00 N ATOM 1325 CA THR A 95 12.719 13.392 -0.928 1.00 0.00 C ATOM 1326 C THR A 95 11.595 12.868 -1.824 1.00 0.00 C ATOM 1327 O THR A 95 10.425 12.906 -1.445 1.00 0.00 O ATOM 1328 CB THR A 95 13.337 14.698 -1.429 1.00 0.00 C ATOM 1329 OG1 THR A 95 14.275 14.281 -2.418 1.00 0.00 O ATOM 1330 CG2 THR A 95 14.197 15.385 -0.366 1.00 0.00 C ATOM 0 H THR A 95 14.724 12.785 -0.892 1.00 0.00 H new ATOM 0 HA THR A 95 12.257 13.585 0.040 1.00 0.00 H new ATOM 0 HB THR A 95 12.545 15.375 -1.748 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.721 15.067 -2.797 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.612 16.307 -0.774 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.583 15.617 0.504 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.010 14.721 -0.071 1.00 0.00 H new ATOM 1338 N ALA A 96 11.989 12.391 -2.996 1.00 0.00 N ATOM 1339 CA ALA A 96 11.030 11.860 -3.949 1.00 0.00 C ATOM 1340 C ALA A 96 10.907 10.348 -3.754 1.00 0.00 C ATOM 1341 O ALA A 96 11.875 9.613 -3.946 1.00 0.00 O ATOM 1342 CB ALA A 96 11.462 12.232 -5.369 1.00 0.00 C ATOM 0 H ALA A 96 12.960 12.361 -3.307 1.00 0.00 H new ATOM 0 HA ALA A 96 10.044 12.294 -3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.742 11.834 -6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 96 11.505 13.317 -5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.447 11.811 -5.572 1.00 0.00 H new ATOM 1348 N VAL A 97 9.709 9.927 -3.376 1.00 0.00 N ATOM 1349 CA VAL A 97 9.448 8.515 -3.153 1.00 0.00 C ATOM 1350 C VAL A 97 8.501 7.999 -4.238 1.00 0.00 C ATOM 1351 O VAL A 97 7.339 8.401 -4.296 1.00 0.00 O ATOM 1352 CB VAL A 97 8.909 8.300 -1.738 1.00 0.00 C ATOM 1353 CG1 VAL A 97 8.402 6.868 -1.556 1.00 0.00 C ATOM 1354 CG2 VAL A 97 9.969 8.643 -0.689 1.00 0.00 C ATOM 0 H VAL A 97 8.908 10.539 -3.219 1.00 0.00 H new ATOM 0 HA VAL A 97 10.371 7.940 -3.226 1.00 0.00 H new ATOM 0 HB VAL A 97 8.065 8.975 -1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.024 6.742 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.601 6.672 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.219 6.168 -1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.560 8.481 0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 97 10.841 8.005 -0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.262 9.687 -0.796 1.00 0.00 H new ATOM 1364 N GLN A 98 9.031 7.116 -5.071 1.00 0.00 N ATOM 1365 CA GLN A 98 8.248 6.541 -6.151 1.00 0.00 C ATOM 1366 C GLN A 98 7.667 5.191 -5.725 1.00 0.00 C ATOM 1367 O GLN A 98 8.397 4.314 -5.267 1.00 0.00 O ATOM 1368 CB GLN A 98 9.087 6.399 -7.423 1.00 0.00 C ATOM 1369 CG GLN A 98 8.269 6.763 -8.663 1.00 0.00 C ATOM 1370 CD GLN A 98 9.093 6.574 -9.939 1.00 0.00 C ATOM 1371 OE1 GLN A 98 9.473 5.474 -10.306 1.00 0.00 O ATOM 1372 NE2 GLN A 98 9.347 7.705 -10.590 1.00 0.00 N ATOM 0 H GLN A 98 9.994 6.784 -5.020 1.00 0.00 H new ATOM 0 HA GLN A 98 7.422 7.217 -6.374 1.00 0.00 H new ATOM 0 HB2 GLN A 98 9.963 7.044 -7.359 1.00 0.00 H new ATOM 0 HB3 GLN A 98 9.451 5.375 -7.511 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.375 6.142 -8.708 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.935 7.798 -8.592 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.998 8.592 -10.227 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.891 7.686 -11.453 1.00 0.00 H new ATOM 1381 N MET A 99 6.358 5.068 -5.891 1.00 0.00 N ATOM 1382 CA MET A 99 5.670 3.840 -5.529 1.00 0.00 C ATOM 1383 C MET A 99 4.856 3.300 -6.706 1.00 0.00 C ATOM 1384 O MET A 99 3.894 3.931 -7.142 1.00 0.00 O ATOM 1385 CB MET A 99 4.740 4.106 -4.344 1.00 0.00 C ATOM 1386 CG MET A 99 5.541 4.393 -3.072 1.00 0.00 C ATOM 1387 SD MET A 99 4.861 3.472 -1.702 1.00 0.00 S ATOM 1388 CE MET A 99 4.129 4.803 -0.766 1.00 0.00 C ATOM 0 H MET A 99 5.756 5.798 -6.271 1.00 0.00 H new ATOM 0 HA MET A 99 6.417 3.094 -5.256 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.092 4.953 -4.569 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.093 3.243 -4.184 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.586 4.121 -3.221 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.518 5.460 -2.851 1.00 0.00 H new ATOM 0 HE1 MET A 99 4.542 4.808 0.243 1.00 0.00 H new ATOM 0 HE2 MET A 99 4.348 5.753 -1.253 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.049 4.662 -0.716 1.00 0.00 H new ATOM 1398 N ARG A 100 5.271 2.138 -7.188 1.00 0.00 N ATOM 1399 CA ARG A 100 4.592 1.506 -8.306 1.00 0.00 C ATOM 1400 C ARG A 100 3.530 0.528 -7.799 1.00 0.00 C ATOM 1401 O ARG A 100 3.857 -0.564 -7.338 1.00 0.00 O ATOM 1402 CB ARG A 100 5.582 0.754 -9.198 1.00 0.00 C ATOM 1403 CG ARG A 100 4.957 0.424 -10.555 1.00 0.00 C ATOM 1404 CD ARG A 100 5.975 -0.245 -11.480 1.00 0.00 C ATOM 1405 NE ARG A 100 5.949 0.399 -12.812 1.00 0.00 N ATOM 1406 CZ ARG A 100 6.752 0.056 -13.828 1.00 0.00 C ATOM 1407 NH1 ARG A 100 7.649 -0.928 -13.671 1.00 0.00 N ATOM 1408 NH2 ARG A 100 6.658 0.696 -15.002 1.00 0.00 N ATOM 0 H ARG A 100 6.069 1.617 -6.825 1.00 0.00 H new ATOM 0 HA ARG A 100 4.117 2.293 -8.892 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.477 1.358 -9.343 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.895 -0.166 -8.705 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.100 -0.235 -10.414 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.584 1.337 -11.019 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.974 -0.170 -11.050 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.749 -1.307 -11.576 1.00 0.00 H new ATOM 0 HE ARG A 100 5.278 1.151 -12.966 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.720 -1.416 -12.778 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.260 -1.189 -14.445 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.975 1.444 -15.122 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.269 0.435 -15.776 1.00 0.00 H new ATOM 1422 N VAL A 101 2.280 0.957 -7.900 1.00 0.00 N ATOM 1423 CA VAL A 101 1.168 0.133 -7.457 1.00 0.00 C ATOM 1424 C VAL A 101 0.421 -0.407 -8.678 1.00 0.00 C ATOM 1425 O VAL A 101 0.528 0.148 -9.771 1.00 0.00 O ATOM 1426 CB VAL A 101 0.270 0.932 -6.511 1.00 0.00 C ATOM 1427 CG1 VAL A 101 1.006 1.274 -5.214 1.00 0.00 C ATOM 1428 CG2 VAL A 101 -0.257 2.196 -7.192 1.00 0.00 C ATOM 0 H VAL A 101 2.013 1.864 -8.282 1.00 0.00 H new ATOM 0 HA VAL A 101 1.530 -0.726 -6.892 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.586 0.308 -6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.345 1.842 -4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.309 0.354 -4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.889 1.870 -5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.893 2.745 -6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.582 2.825 -7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.836 1.920 -8.073 1.00 0.00 H new ATOM 1438 N TRP A 102 -0.320 -1.481 -8.451 1.00 0.00 N ATOM 1439 CA TRP A 102 -1.085 -2.102 -9.519 1.00 0.00 C ATOM 1440 C TRP A 102 -2.570 -1.859 -9.240 1.00 0.00 C ATOM 1441 O TRP A 102 -3.062 -2.180 -8.160 1.00 0.00 O ATOM 1442 CB TRP A 102 -0.737 -3.586 -9.653 1.00 0.00 C ATOM 1443 CG TRP A 102 -1.288 -4.243 -10.919 1.00 0.00 C ATOM 1444 CD1 TRP A 102 -1.037 -3.918 -12.195 1.00 0.00 C ATOM 1445 CD2 TRP A 102 -2.201 -5.360 -10.981 1.00 0.00 C ATOM 1446 NE1 TRP A 102 -1.718 -4.739 -13.070 1.00 0.00 N ATOM 1447 CE2 TRP A 102 -2.448 -5.643 -12.309 1.00 0.00 C ATOM 1448 CE3 TRP A 102 -2.798 -6.105 -9.949 1.00 0.00 C ATOM 1449 CZ2 TRP A 102 -3.296 -6.676 -12.727 1.00 0.00 C ATOM 1450 CZ3 TRP A 102 -3.643 -7.133 -10.384 1.00 0.00 C ATOM 1451 CH2 TRP A 102 -3.902 -7.431 -11.716 1.00 0.00 C ATOM 0 H TRP A 102 -0.407 -1.937 -7.543 1.00 0.00 H new ATOM 0 HA TRP A 102 -0.834 -1.657 -10.482 1.00 0.00 H new ATOM 0 HB2 TRP A 102 0.347 -3.697 -9.641 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.121 -4.119 -8.783 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.383 -3.114 -12.500 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -1.690 -4.691 -14.088 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -2.619 -5.901 -8.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -3.473 -6.879 -13.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -4.128 -7.737 -9.631 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.568 -8.242 -11.970 1.00 0.00 H new ATOM 1462 N ARG A 103 -3.241 -1.295 -10.233 1.00 0.00 N ATOM 1463 CA ARG A 103 -4.660 -1.005 -10.107 1.00 0.00 C ATOM 1464 C ARG A 103 -5.311 -0.934 -11.490 1.00 0.00 C ATOM 1465 O ARG A 103 -4.635 -0.681 -12.486 1.00 0.00 O ATOM 1466 CB ARG A 103 -4.889 0.318 -9.374 1.00 0.00 C ATOM 1467 CG ARG A 103 -6.206 0.292 -8.595 1.00 0.00 C ATOM 1468 CD ARG A 103 -6.534 1.674 -8.028 1.00 0.00 C ATOM 1469 NE ARG A 103 -6.387 1.665 -6.555 1.00 0.00 N ATOM 1470 CZ ARG A 103 -7.332 1.234 -5.708 1.00 0.00 C ATOM 1471 NH1 ARG A 103 -8.498 0.776 -6.183 1.00 0.00 N ATOM 1472 NH2 ARG A 103 -7.111 1.262 -4.387 1.00 0.00 N ATOM 0 H ARG A 103 -2.829 -1.031 -11.128 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.113 -1.810 -9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.061 0.507 -8.690 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.903 1.138 -10.092 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -7.013 -0.038 -9.249 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.138 -0.432 -7.783 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.871 2.421 -8.463 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.552 1.955 -8.298 1.00 0.00 H new ATOM 0 HE ARG A 103 -5.512 2.008 -6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.666 0.755 -7.189 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.218 0.448 -5.539 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -6.223 1.611 -4.026 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -7.830 0.934 -3.743 1.00 0.00 H new ATOM 1486 N GLU A 104 -6.616 -1.161 -11.507 1.00 0.00 N ATOM 1487 CA GLU A 104 -7.366 -1.126 -12.750 1.00 0.00 C ATOM 1488 C GLU A 104 -7.842 0.299 -13.043 1.00 0.00 C ATOM 1489 O GLU A 104 -8.040 1.092 -12.124 1.00 0.00 O ATOM 1490 CB GLU A 104 -8.546 -2.099 -12.707 1.00 0.00 C ATOM 1491 CG GLU A 104 -8.679 -2.858 -14.029 1.00 0.00 C ATOM 1492 CD GLU A 104 -10.095 -2.730 -14.594 1.00 0.00 C ATOM 1493 OE1 GLU A 104 -10.670 -1.631 -14.441 1.00 0.00 O ATOM 1494 OE2 GLU A 104 -10.571 -3.734 -15.166 1.00 0.00 O ATOM 0 H GLU A 104 -7.173 -1.370 -10.679 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.706 -1.442 -13.558 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.409 -2.807 -11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.466 -1.551 -12.504 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.959 -2.469 -14.750 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.439 -3.910 -13.874 1.00 0.00 H new