USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=10 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 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 83:sc= 0.261 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -3.96! K(o=-4!,f=-1.7) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.044) USER MOD Single : A 84 HIS : no HD1:sc= -6.49! C(o=-6.5!,f=-4.6!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.0178 X(o=-0.018,f=-0.02) USER MOD Single : A 99 MET CE :methyl 174:sc= -4.75 (180deg=-4.89) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 13 -7.646 -6.482 -16.606 1.00 0.00 N ATOM 149 CA GLU A 13 -6.631 -6.888 -15.648 1.00 0.00 C ATOM 150 C GLU A 13 -5.877 -5.665 -15.124 1.00 0.00 C ATOM 151 O GLU A 13 -5.418 -4.833 -15.904 1.00 0.00 O ATOM 152 CB GLU A 13 -5.668 -7.902 -16.268 1.00 0.00 C ATOM 153 CG GLU A 13 -4.671 -7.212 -17.201 1.00 0.00 C ATOM 154 CD GLU A 13 -3.783 -8.237 -17.909 1.00 0.00 C ATOM 155 OE1 GLU A 13 -4.346 -9.031 -18.694 1.00 0.00 O ATOM 156 OE2 GLU A 13 -2.560 -8.205 -17.650 1.00 0.00 O ATOM 0 HA GLU A 13 -7.126 -7.373 -14.807 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.130 -8.427 -15.479 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.232 -8.652 -16.823 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.210 -6.620 -17.941 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.051 -6.521 -16.630 1.00 0.00 H new ATOM 163 N GLU A 14 -5.774 -5.594 -13.805 1.00 0.00 N ATOM 164 CA GLU A 14 -5.083 -4.486 -13.167 1.00 0.00 C ATOM 165 C GLU A 14 -3.842 -4.099 -13.973 1.00 0.00 C ATOM 166 O GLU A 14 -3.202 -4.955 -14.583 1.00 0.00 O ATOM 167 CB GLU A 14 -4.714 -4.829 -11.722 1.00 0.00 C ATOM 168 CG GLU A 14 -5.883 -4.549 -10.776 1.00 0.00 C ATOM 169 CD GLU A 14 -5.641 -5.179 -9.403 1.00 0.00 C ATOM 170 OE1 GLU A 14 -6.049 -6.349 -9.236 1.00 0.00 O ATOM 171 OE2 GLU A 14 -5.054 -4.477 -8.552 1.00 0.00 O ATOM 0 H GLU A 14 -6.157 -6.286 -13.161 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.757 -3.630 -13.142 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.431 -5.879 -11.655 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.846 -4.245 -11.416 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.018 -3.473 -10.667 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.804 -4.944 -11.204 1.00 0.00 H new ATOM 178 N GLU A 15 -3.538 -2.810 -13.949 1.00 0.00 N ATOM 179 CA GLU A 15 -2.384 -2.300 -14.670 1.00 0.00 C ATOM 180 C GLU A 15 -1.372 -1.697 -13.694 1.00 0.00 C ATOM 181 O GLU A 15 -1.688 -1.473 -12.527 1.00 0.00 O ATOM 182 CB GLU A 15 -2.806 -1.275 -15.725 1.00 0.00 C ATOM 183 CG GLU A 15 -2.873 0.132 -15.126 1.00 0.00 C ATOM 184 CD GLU A 15 -3.328 1.152 -16.172 1.00 0.00 C ATOM 185 OE1 GLU A 15 -4.558 1.355 -16.268 1.00 0.00 O ATOM 186 OE2 GLU A 15 -2.437 1.705 -16.851 1.00 0.00 O ATOM 0 H GLU A 15 -4.071 -2.103 -13.442 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.908 -3.132 -15.189 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.098 -1.288 -16.554 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.779 -1.547 -16.133 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.562 0.139 -14.282 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.893 0.414 -14.740 1.00 0.00 H new ATOM 193 N GLU A 16 -0.175 -1.452 -14.208 1.00 0.00 N ATOM 194 CA GLU A 16 0.885 -0.880 -13.396 1.00 0.00 C ATOM 195 C GLU A 16 0.792 0.647 -13.401 1.00 0.00 C ATOM 196 O GLU A 16 0.593 1.257 -14.450 1.00 0.00 O ATOM 197 CB GLU A 16 2.259 -1.347 -13.881 1.00 0.00 C ATOM 198 CG GLU A 16 2.562 -2.763 -13.387 1.00 0.00 C ATOM 199 CD GLU A 16 3.188 -3.609 -14.499 1.00 0.00 C ATOM 200 OE1 GLU A 16 4.373 -3.356 -14.805 1.00 0.00 O ATOM 201 OE2 GLU A 16 2.467 -4.489 -15.017 1.00 0.00 O ATOM 0 H GLU A 16 0.084 -1.639 -15.177 1.00 0.00 H new ATOM 0 HA GLU A 16 0.760 -1.229 -12.371 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.292 -1.323 -14.970 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.027 -0.661 -13.524 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.240 -2.717 -12.534 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.643 -3.235 -13.039 1.00 0.00 H new ATOM 208 N LEU A 17 0.940 1.221 -12.216 1.00 0.00 N ATOM 209 CA LEU A 17 0.875 2.665 -12.070 1.00 0.00 C ATOM 210 C LEU A 17 2.077 3.145 -11.253 1.00 0.00 C ATOM 211 O LEU A 17 2.641 2.386 -10.467 1.00 0.00 O ATOM 212 CB LEU A 17 -0.474 3.084 -11.483 1.00 0.00 C ATOM 213 CG LEU A 17 -1.682 2.249 -11.914 1.00 0.00 C ATOM 214 CD1 LEU A 17 -2.839 2.407 -10.927 1.00 0.00 C ATOM 215 CD2 LEU A 17 -2.100 2.588 -13.347 1.00 0.00 C ATOM 0 H LEU A 17 1.105 0.712 -11.348 1.00 0.00 H new ATOM 0 HA LEU A 17 0.937 3.150 -13.044 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.402 3.048 -10.396 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.660 4.123 -11.756 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.392 1.198 -11.903 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.684 1.803 -11.257 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.521 2.076 -9.938 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.137 3.454 -10.881 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.960 1.981 -13.628 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.365 3.643 -13.409 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.273 2.381 -14.026 1.00 0.00 H new ATOM 227 N THR A 18 2.432 4.403 -11.467 1.00 0.00 N ATOM 228 CA THR A 18 3.556 4.994 -10.761 1.00 0.00 C ATOM 229 C THR A 18 3.139 6.308 -10.098 1.00 0.00 C ATOM 230 O THR A 18 2.565 7.181 -10.749 1.00 0.00 O ATOM 231 CB THR A 18 4.708 5.154 -11.755 1.00 0.00 C ATOM 232 OG1 THR A 18 4.921 3.836 -12.255 1.00 0.00 O ATOM 233 CG2 THR A 18 6.028 5.510 -11.069 1.00 0.00 C ATOM 0 H THR A 18 1.961 5.030 -12.119 1.00 0.00 H new ATOM 0 HA THR A 18 3.895 4.350 -9.949 1.00 0.00 H new ATOM 0 HB THR A 18 4.456 5.927 -12.481 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.651 3.848 -12.908 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.812 5.612 -11.819 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.916 6.451 -10.531 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.298 4.721 -10.367 1.00 0.00 H new ATOM 241 N LEU A 19 3.442 6.408 -8.812 1.00 0.00 N ATOM 242 CA LEU A 19 3.105 7.601 -8.055 1.00 0.00 C ATOM 243 C LEU A 19 4.351 8.103 -7.322 1.00 0.00 C ATOM 244 O LEU A 19 5.228 7.316 -6.970 1.00 0.00 O ATOM 245 CB LEU A 19 1.916 7.331 -7.131 1.00 0.00 C ATOM 246 CG LEU A 19 0.577 7.062 -7.822 1.00 0.00 C ATOM 247 CD1 LEU A 19 -0.395 6.354 -6.877 1.00 0.00 C ATOM 248 CD2 LEU A 19 -0.015 8.353 -8.392 1.00 0.00 C ATOM 0 H LEU A 19 3.917 5.682 -8.275 1.00 0.00 H new ATOM 0 HA LEU A 19 2.784 8.399 -8.725 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.157 6.473 -6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.795 8.188 -6.468 1.00 0.00 H new ATOM 0 HG LEU A 19 0.755 6.391 -8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.338 6.175 -7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.033 5.402 -6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.573 6.980 -6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.966 8.134 -8.878 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.176 9.067 -7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.675 8.779 -9.121 1.00 0.00 H new ATOM 260 N THR A 20 4.389 9.411 -7.114 1.00 0.00 N ATOM 261 CA THR A 20 5.513 10.027 -6.430 1.00 0.00 C ATOM 262 C THR A 20 5.026 10.835 -5.225 1.00 0.00 C ATOM 263 O THR A 20 4.052 11.579 -5.324 1.00 0.00 O ATOM 264 CB THR A 20 6.286 10.865 -7.450 1.00 0.00 C ATOM 265 OG1 THR A 20 6.426 10.001 -8.575 1.00 0.00 O ATOM 266 CG2 THR A 20 7.726 11.141 -7.011 1.00 0.00 C ATOM 0 H THR A 20 3.660 10.061 -7.407 1.00 0.00 H new ATOM 0 HA THR A 20 6.190 9.275 -6.026 1.00 0.00 H new ATOM 0 HB THR A 20 5.768 11.810 -7.610 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.915 10.466 -9.286 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.230 11.739 -7.770 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.721 11.684 -6.066 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.255 10.196 -6.883 1.00 0.00 H new ATOM 274 N ILE A 21 5.727 10.660 -4.114 1.00 0.00 N ATOM 275 CA ILE A 21 5.378 11.363 -2.891 1.00 0.00 C ATOM 276 C ILE A 21 6.546 12.258 -2.471 1.00 0.00 C ATOM 277 O ILE A 21 7.700 11.963 -2.778 1.00 0.00 O ATOM 278 CB ILE A 21 4.943 10.373 -1.809 1.00 0.00 C ATOM 279 CG1 ILE A 21 3.908 9.386 -2.353 1.00 0.00 C ATOM 280 CG2 ILE A 21 4.437 11.106 -0.565 1.00 0.00 C ATOM 281 CD1 ILE A 21 3.999 8.041 -1.631 1.00 0.00 C ATOM 0 H ILE A 21 6.535 10.042 -4.035 1.00 0.00 H new ATOM 0 HA ILE A 21 4.520 12.014 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 21 5.815 9.792 -1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.907 9.800 -2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.066 9.240 -3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.134 10.378 0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.233 11.734 -0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.583 11.729 -0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.252 7.359 -2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.993 7.618 -1.774 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.816 8.186 -0.566 1.00 0.00 H new ATOM 293 N LEU A 22 6.206 13.333 -1.776 1.00 0.00 N ATOM 294 CA LEU A 22 7.212 14.273 -1.312 1.00 0.00 C ATOM 295 C LEU A 22 7.543 13.977 0.152 1.00 0.00 C ATOM 296 O LEU A 22 6.698 14.146 1.030 1.00 0.00 O ATOM 297 CB LEU A 22 6.757 15.712 -1.560 1.00 0.00 C ATOM 298 CG LEU A 22 6.875 16.215 -3.000 1.00 0.00 C ATOM 299 CD1 LEU A 22 8.120 17.086 -3.176 1.00 0.00 C ATOM 300 CD2 LEU A 22 6.846 15.049 -3.991 1.00 0.00 C ATOM 0 H LEU A 22 5.248 13.574 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 22 8.135 14.153 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.716 15.801 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.339 16.372 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 22 6.010 16.843 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.180 17.430 -4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.059 17.946 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.009 16.503 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.931 15.433 -5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.679 14.377 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.907 14.506 -3.886 1.00 0.00 H new ATOM 312 N ARG A 23 8.774 13.539 0.371 1.00 0.00 N ATOM 313 CA ARG A 23 9.227 13.217 1.713 1.00 0.00 C ATOM 314 C ARG A 23 9.621 14.493 2.461 1.00 0.00 C ATOM 315 O ARG A 23 10.074 15.459 1.850 1.00 0.00 O ATOM 316 CB ARG A 23 10.425 12.265 1.677 1.00 0.00 C ATOM 317 CG ARG A 23 10.217 11.086 2.630 1.00 0.00 C ATOM 318 CD ARG A 23 11.185 9.945 2.311 1.00 0.00 C ATOM 319 NE ARG A 23 11.550 9.228 3.553 1.00 0.00 N ATOM 320 CZ ARG A 23 12.408 9.699 4.468 1.00 0.00 C ATOM 321 NH1 ARG A 23 12.995 10.890 4.286 1.00 0.00 N ATOM 322 NH2 ARG A 23 12.679 8.980 5.566 1.00 0.00 N ATOM 0 H ARG A 23 9.472 13.400 -0.359 1.00 0.00 H new ATOM 0 HA ARG A 23 8.403 12.727 2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.570 11.896 0.662 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.331 12.804 1.952 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.364 11.415 3.659 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.190 10.729 2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.725 9.254 1.604 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.081 10.340 1.833 1.00 0.00 H new ATOM 0 HE ARG A 23 11.122 8.318 3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.789 11.438 3.451 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.648 11.248 4.983 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.232 8.074 5.705 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.332 9.339 6.262 1.00 0.00 H new ATOM 381 N LEU A 28 6.277 9.204 4.659 1.00 0.00 N ATOM 382 CA LEU A 28 5.023 8.973 3.962 1.00 0.00 C ATOM 383 C LEU A 28 3.881 8.930 4.979 1.00 0.00 C ATOM 384 O LEU A 28 4.106 9.086 6.178 1.00 0.00 O ATOM 385 CB LEU A 28 5.118 7.720 3.090 1.00 0.00 C ATOM 386 CG LEU A 28 6.359 7.614 2.201 1.00 0.00 C ATOM 387 CD1 LEU A 28 6.371 6.291 1.432 1.00 0.00 C ATOM 388 CD2 LEU A 28 6.469 8.820 1.267 1.00 0.00 C ATOM 0 HA LEU A 28 4.810 9.794 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.085 6.846 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.234 7.677 2.453 1.00 0.00 H new ATOM 0 HG LEU A 28 7.240 7.622 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.263 6.241 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.375 5.460 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.484 6.228 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.359 8.720 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.586 8.868 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.540 9.733 1.858 1.00 0.00 H new ATOM 400 N GLY A 29 2.679 8.717 4.462 1.00 0.00 N ATOM 401 CA GLY A 29 1.501 8.651 5.310 1.00 0.00 C ATOM 402 C GLY A 29 0.496 7.630 4.774 1.00 0.00 C ATOM 403 O GLY A 29 -0.630 7.984 4.429 1.00 0.00 O ATOM 0 H GLY A 29 2.496 8.588 3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.794 8.380 6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.032 9.634 5.365 1.00 0.00 H new ATOM 407 N ILE A 30 0.940 6.382 4.721 1.00 0.00 N ATOM 408 CA ILE A 30 0.093 5.307 4.232 1.00 0.00 C ATOM 409 C ILE A 30 0.326 4.055 5.080 1.00 0.00 C ATOM 410 O ILE A 30 1.336 3.950 5.774 1.00 0.00 O ATOM 411 CB ILE A 30 0.317 5.087 2.735 1.00 0.00 C ATOM 412 CG1 ILE A 30 1.811 5.041 2.405 1.00 0.00 C ATOM 413 CG2 ILE A 30 -0.420 6.143 1.909 1.00 0.00 C ATOM 414 CD1 ILE A 30 2.176 3.735 1.696 1.00 0.00 C ATOM 0 H ILE A 30 1.875 6.092 5.008 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.959 5.572 4.337 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.102 4.118 2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.073 5.888 1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.393 5.136 3.322 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.244 5.963 0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.489 6.085 2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.053 7.134 2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.243 3.728 1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.935 2.891 2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.611 3.655 0.768 1.00 0.00 H new ATOM 426 N SER A 31 -0.625 3.137 4.996 1.00 0.00 N ATOM 427 CA SER A 31 -0.536 1.896 5.747 1.00 0.00 C ATOM 428 C SER A 31 -0.488 0.706 4.787 1.00 0.00 C ATOM 429 O SER A 31 -1.257 0.645 3.829 1.00 0.00 O ATOM 430 CB SER A 31 -1.714 1.751 6.713 1.00 0.00 C ATOM 431 OG SER A 31 -1.572 2.588 7.857 1.00 0.00 O ATOM 0 H SER A 31 -1.461 3.227 4.419 1.00 0.00 H new ATOM 0 HA SER A 31 0.381 1.917 6.336 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.640 1.999 6.195 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.796 0.712 7.032 1.00 0.00 H new ATOM 0 HG SER A 31 -2.344 2.468 8.448 1.00 0.00 H new ATOM 437 N ILE A 32 0.424 -0.210 5.077 1.00 0.00 N ATOM 438 CA ILE A 32 0.584 -1.395 4.251 1.00 0.00 C ATOM 439 C ILE A 32 0.129 -2.625 5.039 1.00 0.00 C ATOM 440 O ILE A 32 -0.004 -2.570 6.261 1.00 0.00 O ATOM 441 CB ILE A 32 2.018 -1.495 3.729 1.00 0.00 C ATOM 442 CG1 ILE A 32 3.000 -1.770 4.870 1.00 0.00 C ATOM 443 CG2 ILE A 32 2.400 -0.246 2.932 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.367 -2.190 4.328 1.00 0.00 C ATOM 0 H ILE A 32 1.060 -0.156 5.873 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.049 -1.331 3.366 1.00 0.00 H new ATOM 0 HB ILE A 32 2.074 -2.342 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.108 -0.877 5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.604 -2.555 5.514 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.424 -0.343 2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.726 -0.136 2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.322 0.632 3.573 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.046 -2.379 5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.260 -3.097 3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.771 -1.393 3.704 1.00 0.00 H new ATOM 456 N ALA A 33 -0.096 -3.707 4.308 1.00 0.00 N ATOM 457 CA ALA A 33 -0.533 -4.949 4.923 1.00 0.00 C ATOM 458 C ALA A 33 -0.159 -6.122 4.015 1.00 0.00 C ATOM 459 O ALA A 33 0.183 -5.925 2.850 1.00 0.00 O ATOM 460 CB ALA A 33 -2.037 -4.881 5.198 1.00 0.00 C ATOM 0 H ALA A 33 0.016 -3.749 3.295 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.033 -5.100 5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.365 -5.813 5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.247 -4.049 5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.572 -4.733 4.260 1.00 0.00 H new ATOM 466 N GLY A 34 -0.236 -7.316 4.583 1.00 0.00 N ATOM 467 CA GLY A 34 0.091 -8.521 3.840 1.00 0.00 C ATOM 468 C GLY A 34 1.565 -8.893 4.018 1.00 0.00 C ATOM 469 O GLY A 34 2.012 -9.154 5.133 1.00 0.00 O ATOM 0 H GLY A 34 -0.520 -7.475 5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.539 -9.344 4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.124 -8.370 2.782 1.00 0.00 H new ATOM 473 N GLY A 35 2.278 -8.904 2.901 1.00 0.00 N ATOM 474 CA GLY A 35 3.692 -9.239 2.920 1.00 0.00 C ATOM 475 C GLY A 35 3.907 -10.682 3.380 1.00 0.00 C ATOM 476 O GLY A 35 3.330 -11.112 4.378 1.00 0.00 O ATOM 0 H GLY A 35 1.903 -8.686 1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.115 -9.104 1.924 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.222 -8.558 3.586 1.00 0.00 H new ATOM 480 N LYS A 36 4.739 -11.391 2.630 1.00 0.00 N ATOM 481 CA LYS A 36 5.038 -12.777 2.949 1.00 0.00 C ATOM 482 C LYS A 36 5.231 -12.918 4.460 1.00 0.00 C ATOM 483 O LYS A 36 5.966 -12.143 5.071 1.00 0.00 O ATOM 484 CB LYS A 36 6.230 -13.270 2.127 1.00 0.00 C ATOM 485 CG LYS A 36 6.904 -14.466 2.803 1.00 0.00 C ATOM 486 CD LYS A 36 7.443 -15.451 1.763 1.00 0.00 C ATOM 487 CE LYS A 36 8.744 -14.938 1.144 1.00 0.00 C ATOM 488 NZ LYS A 36 9.416 -16.014 0.382 1.00 0.00 N ATOM 0 H LYS A 36 5.215 -11.031 1.803 1.00 0.00 H new ATOM 0 HA LYS A 36 4.203 -13.421 2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.896 -13.552 1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.952 -12.462 2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.720 -14.118 3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.189 -14.972 3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.616 -16.420 2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.699 -15.603 0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.533 -14.096 0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.407 -14.571 1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.297 -15.648 -0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.635 -16.806 1.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.788 -16.345 -0.378 1.00 0.00 H new ATOM 502 N GLY A 37 4.559 -13.913 5.020 1.00 0.00 N ATOM 503 CA GLY A 37 4.648 -14.166 6.448 1.00 0.00 C ATOM 504 C GLY A 37 3.617 -13.337 7.217 1.00 0.00 C ATOM 505 O GLY A 37 3.951 -12.684 8.204 1.00 0.00 O ATOM 0 H GLY A 37 3.950 -14.554 4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.487 -15.226 6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.650 -13.925 6.802 1.00 0.00 H new ATOM 509 N SER A 38 2.384 -13.390 6.735 1.00 0.00 N ATOM 510 CA SER A 38 1.301 -12.653 7.364 1.00 0.00 C ATOM 511 C SER A 38 0.010 -12.833 6.564 1.00 0.00 C ATOM 512 O SER A 38 0.042 -13.294 5.423 1.00 0.00 O ATOM 513 CB SER A 38 1.646 -11.167 7.487 1.00 0.00 C ATOM 514 OG SER A 38 1.593 -10.717 8.838 1.00 0.00 O ATOM 0 H SER A 38 2.111 -13.932 5.916 1.00 0.00 H new ATOM 0 HA SER A 38 1.156 -13.050 8.369 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.644 -10.992 7.085 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.952 -10.582 6.883 1.00 0.00 H new ATOM 0 HG SER A 38 1.821 -9.765 8.875 1.00 0.00 H new ATOM 520 N THR A 39 -1.095 -12.461 7.192 1.00 0.00 N ATOM 521 CA THR A 39 -2.395 -12.576 6.552 1.00 0.00 C ATOM 522 C THR A 39 -2.496 -11.607 5.373 1.00 0.00 C ATOM 523 O THR A 39 -1.970 -10.497 5.429 1.00 0.00 O ATOM 524 CB THR A 39 -3.468 -12.349 7.619 1.00 0.00 C ATOM 525 OG1 THR A 39 -3.515 -13.581 8.333 1.00 0.00 O ATOM 526 CG2 THR A 39 -4.869 -12.213 7.019 1.00 0.00 C ATOM 0 H THR A 39 -1.118 -12.079 8.138 1.00 0.00 H new ATOM 0 HA THR A 39 -2.542 -13.570 6.129 1.00 0.00 H new ATOM 0 HB THR A 39 -3.228 -11.452 8.190 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.185 -13.521 9.046 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.593 -12.053 7.818 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.891 -11.365 6.335 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.122 -13.124 6.476 1.00 0.00 H new ATOM 534 N PRO A 40 -3.194 -12.075 4.303 1.00 0.00 N ATOM 535 CA PRO A 40 -3.371 -11.263 3.112 1.00 0.00 C ATOM 536 C PRO A 40 -4.405 -10.160 3.348 1.00 0.00 C ATOM 537 O PRO A 40 -5.148 -10.201 4.328 1.00 0.00 O ATOM 538 CB PRO A 40 -3.786 -12.242 2.026 1.00 0.00 C ATOM 539 CG PRO A 40 -4.275 -13.485 2.750 1.00 0.00 C ATOM 540 CD PRO A 40 -3.831 -13.385 4.201 1.00 0.00 C ATOM 0 HA PRO A 40 -2.462 -10.733 2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.572 -11.820 1.400 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.947 -12.476 1.370 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.361 -13.561 2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.865 -14.383 2.287 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.679 -13.467 4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.136 -14.184 4.459 1.00 0.00 H new ATOM 548 N TYR A 41 -4.420 -9.201 2.434 1.00 0.00 N ATOM 549 CA TYR A 41 -5.351 -8.089 2.531 1.00 0.00 C ATOM 550 C TYR A 41 -6.599 -8.343 1.683 1.00 0.00 C ATOM 551 O TYR A 41 -7.702 -7.952 2.062 1.00 0.00 O ATOM 552 CB TYR A 41 -4.611 -6.870 1.977 1.00 0.00 C ATOM 553 CG TYR A 41 -5.485 -5.621 1.840 1.00 0.00 C ATOM 554 CD1 TYR A 41 -6.188 -5.396 0.675 1.00 0.00 C ATOM 555 CD2 TYR A 41 -5.569 -4.721 2.883 1.00 0.00 C ATOM 556 CE1 TYR A 41 -7.010 -4.220 0.546 1.00 0.00 C ATOM 557 CE2 TYR A 41 -6.391 -3.545 2.754 1.00 0.00 C ATOM 558 CZ TYR A 41 -7.071 -3.353 1.592 1.00 0.00 C ATOM 559 OH TYR A 41 -7.847 -2.243 1.470 1.00 0.00 O ATOM 0 H TYR A 41 -3.802 -9.171 1.623 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.675 -7.948 3.562 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.768 -6.642 2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.198 -7.121 1.000 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.122 -6.101 -0.140 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.019 -4.898 3.795 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.565 -4.031 -0.361 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.466 -2.832 3.562 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.795 -1.716 2.294 1.00 0.00 H new ATOM 569 N LYS A 42 -6.382 -8.996 0.551 1.00 0.00 N ATOM 570 CA LYS A 42 -7.476 -9.307 -0.355 1.00 0.00 C ATOM 571 C LYS A 42 -7.843 -10.785 -0.215 1.00 0.00 C ATOM 572 O LYS A 42 -8.762 -11.133 0.525 1.00 0.00 O ATOM 573 CB LYS A 42 -7.121 -8.894 -1.785 1.00 0.00 C ATOM 574 CG LYS A 42 -7.830 -7.594 -2.172 1.00 0.00 C ATOM 575 CD LYS A 42 -6.991 -6.787 -3.164 1.00 0.00 C ATOM 576 CE LYS A 42 -7.874 -6.159 -4.245 1.00 0.00 C ATOM 577 NZ LYS A 42 -7.412 -6.562 -5.591 1.00 0.00 N ATOM 0 H LYS A 42 -5.466 -9.318 0.240 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.364 -8.731 -0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.042 -8.764 -1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.404 -9.687 -2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.801 -7.822 -2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.017 -6.998 -1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.447 -6.005 -2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.247 -7.435 -3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.909 -6.468 -4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.851 -5.073 -4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.022 -6.127 -6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.431 -6.245 -5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.457 -7.597 -5.678 1.00 0.00 H new ATOM 591 N GLY A 43 -7.107 -11.616 -0.938 1.00 0.00 N ATOM 592 CA GLY A 43 -7.344 -13.049 -0.904 1.00 0.00 C ATOM 593 C GLY A 43 -6.029 -13.819 -0.762 1.00 0.00 C ATOM 594 O GLY A 43 -5.149 -13.418 -0.002 1.00 0.00 O ATOM 0 H GLY A 43 -6.346 -11.324 -1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.004 -13.292 -0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.854 -13.359 -1.816 1.00 0.00 H new ATOM 598 N ASP A 44 -5.937 -14.912 -1.506 1.00 0.00 N ATOM 599 CA ASP A 44 -4.745 -15.742 -1.472 1.00 0.00 C ATOM 600 C ASP A 44 -3.628 -15.054 -2.259 1.00 0.00 C ATOM 601 O ASP A 44 -3.215 -15.540 -3.311 1.00 0.00 O ATOM 602 CB ASP A 44 -5.005 -17.106 -2.114 1.00 0.00 C ATOM 603 CG ASP A 44 -5.550 -18.174 -1.165 1.00 0.00 C ATOM 604 OD1 ASP A 44 -4.793 -18.557 -0.246 1.00 0.00 O ATOM 605 OD2 ASP A 44 -6.711 -18.585 -1.378 1.00 0.00 O ATOM 0 H ASP A 44 -6.669 -15.242 -2.136 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.462 -15.883 -0.429 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.711 -16.976 -2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.074 -17.469 -2.549 1.00 0.00 H new ATOM 610 N ASP A 45 -3.170 -13.934 -1.720 1.00 0.00 N ATOM 611 CA ASP A 45 -2.109 -13.174 -2.359 1.00 0.00 C ATOM 612 C ASP A 45 -1.178 -12.606 -1.286 1.00 0.00 C ATOM 613 O ASP A 45 -1.604 -11.818 -0.443 1.00 0.00 O ATOM 614 CB ASP A 45 -2.677 -12.002 -3.161 1.00 0.00 C ATOM 615 CG ASP A 45 -2.979 -12.309 -4.629 1.00 0.00 C ATOM 616 OD1 ASP A 45 -2.060 -12.825 -5.302 1.00 0.00 O ATOM 617 OD2 ASP A 45 -4.122 -12.021 -5.046 1.00 0.00 O ATOM 0 H ASP A 45 -3.514 -13.534 -0.847 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.572 -13.843 -3.031 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.595 -11.663 -2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.969 -11.174 -3.117 1.00 0.00 H new ATOM 622 N GLU A 46 0.076 -13.028 -1.352 1.00 0.00 N ATOM 623 CA GLU A 46 1.071 -12.571 -0.397 1.00 0.00 C ATOM 624 C GLU A 46 1.777 -11.320 -0.924 1.00 0.00 C ATOM 625 O GLU A 46 3.003 -11.231 -0.882 1.00 0.00 O ATOM 626 CB GLU A 46 2.080 -13.679 -0.084 1.00 0.00 C ATOM 627 CG GLU A 46 1.367 -14.975 0.305 1.00 0.00 C ATOM 628 CD GLU A 46 2.336 -16.159 0.294 1.00 0.00 C ATOM 629 OE1 GLU A 46 3.433 -15.999 0.873 1.00 0.00 O ATOM 630 OE2 GLU A 46 1.959 -17.196 -0.292 1.00 0.00 O ATOM 0 H GLU A 46 0.426 -13.682 -2.052 1.00 0.00 H new ATOM 0 HA GLU A 46 0.563 -12.314 0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.714 -13.855 -0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.734 -13.362 0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.928 -14.869 1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.547 -15.165 -0.388 1.00 0.00 H new ATOM 637 N GLY A 47 0.973 -10.385 -1.408 1.00 0.00 N ATOM 638 CA GLY A 47 1.505 -9.143 -1.942 1.00 0.00 C ATOM 639 C GLY A 47 1.285 -7.987 -0.964 1.00 0.00 C ATOM 640 O GLY A 47 0.552 -8.127 0.014 1.00 0.00 O ATOM 0 H GLY A 47 -0.043 -10.463 -1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.570 -9.256 -2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.023 -8.916 -2.893 1.00 0.00 H new ATOM 644 N ILE A 48 1.933 -6.870 -1.262 1.00 0.00 N ATOM 645 CA ILE A 48 1.817 -5.691 -0.422 1.00 0.00 C ATOM 646 C ILE A 48 0.718 -4.781 -0.975 1.00 0.00 C ATOM 647 O ILE A 48 0.834 -4.267 -2.086 1.00 0.00 O ATOM 648 CB ILE A 48 3.174 -4.999 -0.280 1.00 0.00 C ATOM 649 CG1 ILE A 48 4.141 -5.852 0.544 1.00 0.00 C ATOM 650 CG2 ILE A 48 3.015 -3.592 0.301 1.00 0.00 C ATOM 651 CD1 ILE A 48 3.653 -5.998 1.986 1.00 0.00 C ATOM 0 H ILE A 48 2.540 -6.757 -2.074 1.00 0.00 H new ATOM 0 HA ILE A 48 1.520 -5.972 0.589 1.00 0.00 H new ATOM 0 HB ILE A 48 3.607 -4.890 -1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.240 -6.837 0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.131 -5.396 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.995 -3.123 0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.386 -2.995 -0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.551 -3.655 1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.359 -6.609 2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.578 -5.013 2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.674 -6.477 1.992 1.00 0.00 H new ATOM 663 N PHE A 49 -0.324 -4.611 -0.174 1.00 0.00 N ATOM 664 CA PHE A 49 -1.442 -3.772 -0.570 1.00 0.00 C ATOM 665 C PHE A 49 -1.669 -2.647 0.441 1.00 0.00 C ATOM 666 O PHE A 49 -1.351 -2.794 1.620 1.00 0.00 O ATOM 667 CB PHE A 49 -2.682 -4.668 -0.605 1.00 0.00 C ATOM 668 CG PHE A 49 -2.652 -5.730 -1.706 1.00 0.00 C ATOM 669 CD1 PHE A 49 -1.728 -6.727 -1.665 1.00 0.00 C ATOM 670 CD2 PHE A 49 -3.550 -5.677 -2.727 1.00 0.00 C ATOM 671 CE1 PHE A 49 -1.700 -7.712 -2.687 1.00 0.00 C ATOM 672 CE2 PHE A 49 -3.522 -6.662 -3.749 1.00 0.00 C ATOM 673 CZ PHE A 49 -2.598 -7.659 -3.707 1.00 0.00 C ATOM 0 H PHE A 49 -0.417 -5.040 0.747 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.241 -3.317 -1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.787 -5.163 0.360 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.565 -4.044 -0.741 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.015 -6.769 -0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.284 -4.886 -2.760 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.966 -8.503 -2.654 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.234 -6.620 -4.560 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.577 -8.409 -4.484 1.00 0.00 H new ATOM 683 N ILE A 50 -2.216 -1.548 -0.057 1.00 0.00 N ATOM 684 CA ILE A 50 -2.489 -0.398 0.788 1.00 0.00 C ATOM 685 C ILE A 50 -3.618 -0.743 1.762 1.00 0.00 C ATOM 686 O ILE A 50 -4.643 -1.292 1.361 1.00 0.00 O ATOM 687 CB ILE A 50 -2.771 0.840 -0.065 1.00 0.00 C ATOM 688 CG1 ILE A 50 -1.533 1.246 -0.867 1.00 0.00 C ATOM 689 CG2 ILE A 50 -3.300 1.990 0.794 1.00 0.00 C ATOM 690 CD1 ILE A 50 -0.315 1.402 0.046 1.00 0.00 C ATOM 0 H ILE A 50 -2.478 -1.430 -1.036 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.613 -0.150 1.388 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.552 0.589 -0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.327 0.495 -1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.724 2.184 -1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.492 2.857 0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.226 1.684 1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.560 2.249 1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.551 1.691 -0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.516 2.171 0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.112 0.455 0.547 1.00 0.00 H new ATOM 702 N SER A 51 -3.391 -0.407 3.024 1.00 0.00 N ATOM 703 CA SER A 51 -4.375 -0.675 4.058 1.00 0.00 C ATOM 704 C SER A 51 -5.100 0.618 4.438 1.00 0.00 C ATOM 705 O SER A 51 -6.284 0.596 4.770 1.00 0.00 O ATOM 706 CB SER A 51 -3.722 -1.299 5.293 1.00 0.00 C ATOM 707 OG SER A 51 -4.595 -1.294 6.419 1.00 0.00 O ATOM 0 H SER A 51 -2.540 0.048 3.353 1.00 0.00 H new ATOM 0 HA SER A 51 -5.099 -1.388 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.427 -2.324 5.068 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.812 -0.751 5.538 1.00 0.00 H new ATOM 0 HG SER A 51 -4.142 -1.702 7.186 1.00 0.00 H new ATOM 713 N ARG A 52 -4.358 1.715 4.375 1.00 0.00 N ATOM 714 CA ARG A 52 -4.915 3.015 4.708 1.00 0.00 C ATOM 715 C ARG A 52 -4.110 4.126 4.032 1.00 0.00 C ATOM 716 O ARG A 52 -2.894 4.015 3.885 1.00 0.00 O ATOM 717 CB ARG A 52 -4.916 3.243 6.221 1.00 0.00 C ATOM 718 CG ARG A 52 -5.965 4.283 6.619 1.00 0.00 C ATOM 719 CD ARG A 52 -5.492 5.108 7.817 1.00 0.00 C ATOM 720 NE ARG A 52 -6.480 5.018 8.915 1.00 0.00 N ATOM 721 CZ ARG A 52 -6.539 4.006 9.792 1.00 0.00 C ATOM 722 NH1 ARG A 52 -5.667 2.992 9.704 1.00 0.00 N ATOM 723 NH2 ARG A 52 -7.470 4.007 10.756 1.00 0.00 N ATOM 0 H ARG A 52 -3.376 1.730 4.098 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.944 3.037 4.348 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.118 2.303 6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.929 3.575 6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.166 4.943 5.775 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.902 3.784 6.864 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.522 4.746 8.159 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.358 6.149 7.522 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.159 5.773 9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.959 2.991 8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.712 2.222 10.371 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.134 4.778 10.823 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.514 3.237 11.423 1.00 0.00 H new ATOM 737 N VAL A 53 -4.821 5.173 3.639 1.00 0.00 N ATOM 738 CA VAL A 53 -4.187 6.304 2.982 1.00 0.00 C ATOM 739 C VAL A 53 -4.576 7.593 3.709 1.00 0.00 C ATOM 740 O VAL A 53 -5.718 8.039 3.620 1.00 0.00 O ATOM 741 CB VAL A 53 -4.556 6.320 1.497 1.00 0.00 C ATOM 742 CG1 VAL A 53 -4.362 7.715 0.900 1.00 0.00 C ATOM 743 CG2 VAL A 53 -3.752 5.274 0.722 1.00 0.00 C ATOM 0 H VAL A 53 -5.830 5.262 3.763 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.102 6.217 3.032 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.612 6.063 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.631 7.699 -0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.998 8.427 1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.319 8.014 1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.033 5.306 -0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.688 5.487 0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.962 4.283 1.124 1.00 0.00 H new ATOM 753 N SER A 54 -3.603 8.155 4.411 1.00 0.00 N ATOM 754 CA SER A 54 -3.829 9.384 5.152 1.00 0.00 C ATOM 755 C SER A 54 -4.413 10.454 4.226 1.00 0.00 C ATOM 756 O SER A 54 -3.719 10.967 3.350 1.00 0.00 O ATOM 757 CB SER A 54 -2.533 9.887 5.792 1.00 0.00 C ATOM 758 OG SER A 54 -2.022 8.969 6.755 1.00 0.00 O ATOM 0 H SER A 54 -2.656 7.782 4.482 1.00 0.00 H new ATOM 0 HA SER A 54 -4.541 9.176 5.951 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.786 10.052 5.016 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.714 10.850 6.270 1.00 0.00 H new ATOM 0 HG SER A 54 -1.507 8.271 6.300 1.00 0.00 H new ATOM 764 N GLU A 55 -5.682 10.757 4.452 1.00 0.00 N ATOM 765 CA GLU A 55 -6.368 11.756 3.650 1.00 0.00 C ATOM 766 C GLU A 55 -5.560 13.055 3.615 1.00 0.00 C ATOM 767 O GLU A 55 -5.331 13.620 2.547 1.00 0.00 O ATOM 768 CB GLU A 55 -7.783 12.005 4.175 1.00 0.00 C ATOM 769 CG GLU A 55 -8.818 11.250 3.339 1.00 0.00 C ATOM 770 CD GLU A 55 -9.878 12.205 2.786 1.00 0.00 C ATOM 771 OE1 GLU A 55 -10.853 12.460 3.525 1.00 0.00 O ATOM 772 OE2 GLU A 55 -9.689 12.658 1.636 1.00 0.00 O ATOM 0 H GLU A 55 -6.254 10.328 5.180 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.456 11.377 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.850 11.688 5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.001 13.073 4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.321 10.736 2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.296 10.485 3.950 1.00 0.00 H new ATOM 779 N GLU A 56 -5.149 13.491 4.797 1.00 0.00 N ATOM 780 CA GLU A 56 -4.372 14.712 4.916 1.00 0.00 C ATOM 781 C GLU A 56 -2.881 14.384 5.025 1.00 0.00 C ATOM 782 O GLU A 56 -2.167 14.984 5.827 1.00 0.00 O ATOM 783 CB GLU A 56 -4.838 15.546 6.111 1.00 0.00 C ATOM 784 CG GLU A 56 -4.684 17.042 5.830 1.00 0.00 C ATOM 785 CD GLU A 56 -5.282 17.877 6.964 1.00 0.00 C ATOM 786 OE1 GLU A 56 -6.527 17.990 6.991 1.00 0.00 O ATOM 787 OE2 GLU A 56 -4.481 18.384 7.778 1.00 0.00 O ATOM 0 H GLU A 56 -5.340 13.020 5.681 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.529 15.307 4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.881 15.320 6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.259 15.277 6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.628 17.287 5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.177 17.292 4.891 1.00 0.00 H new ATOM 794 N GLY A 57 -2.456 13.433 4.206 1.00 0.00 N ATOM 795 CA GLY A 57 -1.063 13.018 4.201 1.00 0.00 C ATOM 796 C GLY A 57 -0.396 13.357 2.866 1.00 0.00 C ATOM 797 O GLY A 57 -1.026 13.934 1.982 1.00 0.00 O ATOM 0 H GLY A 57 -3.051 12.938 3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.530 13.511 5.014 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.999 11.945 4.382 1.00 0.00 H new ATOM 801 N PRO A 58 0.905 12.973 2.761 1.00 0.00 N ATOM 802 CA PRO A 58 1.665 13.230 1.549 1.00 0.00 C ATOM 803 C PRO A 58 1.255 12.270 0.431 1.00 0.00 C ATOM 804 O PRO A 58 1.146 12.670 -0.727 1.00 0.00 O ATOM 805 CB PRO A 58 3.121 13.078 1.958 1.00 0.00 C ATOM 806 CG PRO A 58 3.108 12.291 3.258 1.00 0.00 C ATOM 807 CD PRO A 58 1.683 12.288 3.788 1.00 0.00 C ATOM 0 HA PRO A 58 1.482 14.224 1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.690 12.554 1.190 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.592 14.051 2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.455 11.271 3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.784 12.742 3.984 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.322 11.272 3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.616 12.804 4.746 1.00 0.00 H new ATOM 815 N ALA A 59 1.039 11.021 0.816 1.00 0.00 N ATOM 816 CA ALA A 59 0.643 10.000 -0.139 1.00 0.00 C ATOM 817 C ALA A 59 -0.617 10.459 -0.876 1.00 0.00 C ATOM 818 O ALA A 59 -0.626 10.547 -2.102 1.00 0.00 O ATOM 819 CB ALA A 59 0.441 8.670 0.589 1.00 0.00 C ATOM 0 H ALA A 59 1.131 10.693 1.777 1.00 0.00 H new ATOM 0 HA ALA A 59 1.424 9.848 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.144 7.904 -0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.373 8.374 1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.338 8.783 1.343 1.00 0.00 H new ATOM 825 N ALA A 60 -1.651 10.738 -0.096 1.00 0.00 N ATOM 826 CA ALA A 60 -2.914 11.185 -0.659 1.00 0.00 C ATOM 827 C ALA A 60 -2.640 12.154 -1.811 1.00 0.00 C ATOM 828 O ALA A 60 -3.190 12.000 -2.900 1.00 0.00 O ATOM 829 CB ALA A 60 -3.769 11.817 0.442 1.00 0.00 C ATOM 0 H ALA A 60 -1.640 10.663 0.921 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.473 10.341 -1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.716 12.152 0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.960 11.080 1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.240 12.669 0.869 1.00 0.00 H new ATOM 835 N ARG A 61 -1.789 13.130 -1.531 1.00 0.00 N ATOM 836 CA ARG A 61 -1.435 14.123 -2.531 1.00 0.00 C ATOM 837 C ARG A 61 -0.923 13.440 -3.800 1.00 0.00 C ATOM 838 O ARG A 61 -1.391 13.732 -4.899 1.00 0.00 O ATOM 839 CB ARG A 61 -0.360 15.076 -2.004 1.00 0.00 C ATOM 840 CG ARG A 61 -0.849 15.822 -0.761 1.00 0.00 C ATOM 841 CD ARG A 61 -0.164 17.184 -0.633 1.00 0.00 C ATOM 842 NE ARG A 61 -1.180 18.258 -0.568 1.00 0.00 N ATOM 843 CZ ARG A 61 -1.737 18.832 -1.643 1.00 0.00 C ATOM 844 NH1 ARG A 61 -1.379 18.438 -2.873 1.00 0.00 N ATOM 845 NH2 ARG A 61 -2.651 19.799 -1.489 1.00 0.00 N ATOM 0 H ARG A 61 -1.334 13.254 -0.626 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.333 14.697 -2.760 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.543 14.514 -1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.092 15.793 -2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.929 15.958 -0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.648 15.225 0.128 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.457 17.205 0.263 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.497 17.349 -1.484 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.475 18.582 0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.683 17.702 -2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.803 18.874 -3.692 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.923 20.099 -0.553 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.075 20.235 -2.308 1.00 0.00 H new ATOM 859 N ALA A 62 0.032 12.542 -3.606 1.00 0.00 N ATOM 860 CA ALA A 62 0.613 11.814 -4.722 1.00 0.00 C ATOM 861 C ALA A 62 -0.509 11.242 -5.591 1.00 0.00 C ATOM 862 O ALA A 62 -0.387 11.191 -6.814 1.00 0.00 O ATOM 863 CB ALA A 62 1.551 10.729 -4.191 1.00 0.00 C ATOM 0 H ALA A 62 0.418 12.302 -2.693 1.00 0.00 H new ATOM 0 HA ALA A 62 1.207 12.480 -5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.987 10.183 -5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.346 11.190 -3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.990 10.039 -3.561 1.00 0.00 H new ATOM 869 N GLY A 63 -1.576 10.825 -4.925 1.00 0.00 N ATOM 870 CA GLY A 63 -2.718 10.258 -5.621 1.00 0.00 C ATOM 871 C GLY A 63 -2.836 8.757 -5.349 1.00 0.00 C ATOM 872 O GLY A 63 -3.351 8.010 -6.180 1.00 0.00 O ATOM 0 H GLY A 63 -1.673 10.869 -3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.630 10.762 -5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.618 10.430 -6.693 1.00 0.00 H new ATOM 876 N VAL A 64 -2.351 8.359 -4.182 1.00 0.00 N ATOM 877 CA VAL A 64 -2.395 6.961 -3.790 1.00 0.00 C ATOM 878 C VAL A 64 -3.839 6.572 -3.466 1.00 0.00 C ATOM 879 O VAL A 64 -4.640 7.418 -3.071 1.00 0.00 O ATOM 880 CB VAL A 64 -1.434 6.713 -2.626 1.00 0.00 C ATOM 881 CG1 VAL A 64 -1.960 7.346 -1.336 1.00 0.00 C ATOM 882 CG2 VAL A 64 -1.176 5.217 -2.437 1.00 0.00 C ATOM 0 H VAL A 64 -1.925 8.981 -3.495 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.062 6.324 -4.610 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.484 7.189 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.258 7.155 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.068 8.421 -1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.929 6.913 -1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.490 5.069 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.117 4.709 -2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.737 4.806 -3.346 1.00 0.00 H new ATOM 892 N ARG A 65 -4.128 5.292 -3.646 1.00 0.00 N ATOM 893 CA ARG A 65 -5.462 4.781 -3.378 1.00 0.00 C ATOM 894 C ARG A 65 -5.381 3.486 -2.567 1.00 0.00 C ATOM 895 O ARG A 65 -4.470 2.683 -2.763 1.00 0.00 O ATOM 896 CB ARG A 65 -6.221 4.513 -4.679 1.00 0.00 C ATOM 897 CG ARG A 65 -6.644 5.823 -5.346 1.00 0.00 C ATOM 898 CD ARG A 65 -7.431 5.555 -6.631 1.00 0.00 C ATOM 899 NE ARG A 65 -7.317 6.713 -7.545 1.00 0.00 N ATOM 900 CZ ARG A 65 -7.748 6.714 -8.814 1.00 0.00 C ATOM 901 NH1 ARG A 65 -8.325 5.618 -9.326 1.00 0.00 N ATOM 902 NH2 ARG A 65 -7.603 7.810 -9.570 1.00 0.00 N ATOM 0 H ARG A 65 -3.461 4.593 -3.974 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.999 5.539 -2.807 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.592 3.940 -5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.102 3.905 -4.472 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.254 6.406 -4.656 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.761 6.421 -5.574 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.052 4.657 -7.119 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.479 5.370 -6.394 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.883 7.564 -7.187 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.436 4.784 -8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.653 5.618 -10.292 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.164 8.644 -9.180 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.931 7.810 -10.536 1.00 0.00 H new ATOM 916 N VAL A 66 -6.345 3.323 -1.673 1.00 0.00 N ATOM 917 CA VAL A 66 -6.395 2.140 -0.832 1.00 0.00 C ATOM 918 C VAL A 66 -6.711 0.918 -1.697 1.00 0.00 C ATOM 919 O VAL A 66 -7.554 0.986 -2.590 1.00 0.00 O ATOM 920 CB VAL A 66 -7.400 2.346 0.303 1.00 0.00 C ATOM 921 CG1 VAL A 66 -7.687 1.029 1.027 1.00 0.00 C ATOM 922 CG2 VAL A 66 -6.910 3.414 1.282 1.00 0.00 C ATOM 0 H VAL A 66 -7.098 3.992 -1.513 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.427 1.964 -0.362 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.334 2.697 -0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.404 1.203 1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.100 0.308 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.761 0.636 1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.643 3.541 2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.957 3.104 1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.780 4.359 0.755 1.00 0.00 H new ATOM 932 N GLY A 67 -6.018 -0.172 -1.401 1.00 0.00 N ATOM 933 CA GLY A 67 -6.215 -1.408 -2.140 1.00 0.00 C ATOM 934 C GLY A 67 -5.201 -1.532 -3.279 1.00 0.00 C ATOM 935 O GLY A 67 -5.225 -2.505 -4.032 1.00 0.00 O ATOM 0 H GLY A 67 -5.319 -0.225 -0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.116 -2.259 -1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.227 -1.437 -2.544 1.00 0.00 H new ATOM 939 N ASP A 68 -4.334 -0.534 -3.369 1.00 0.00 N ATOM 940 CA ASP A 68 -3.314 -0.520 -4.403 1.00 0.00 C ATOM 941 C ASP A 68 -2.260 -1.584 -4.088 1.00 0.00 C ATOM 942 O ASP A 68 -1.670 -1.578 -3.009 1.00 0.00 O ATOM 943 CB ASP A 68 -2.611 0.838 -4.465 1.00 0.00 C ATOM 944 CG ASP A 68 -3.042 1.736 -5.626 1.00 0.00 C ATOM 945 OD1 ASP A 68 -3.470 1.168 -6.654 1.00 0.00 O ATOM 946 OD2 ASP A 68 -2.934 2.970 -5.460 1.00 0.00 O ATOM 0 H ASP A 68 -4.317 0.271 -2.742 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.800 -0.719 -5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.792 1.367 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.536 0.671 -4.534 1.00 0.00 H new ATOM 951 N LYS A 69 -2.055 -2.471 -5.051 1.00 0.00 N ATOM 952 CA LYS A 69 -1.082 -3.538 -4.890 1.00 0.00 C ATOM 953 C LYS A 69 0.304 -3.023 -5.284 1.00 0.00 C ATOM 954 O LYS A 69 0.659 -3.025 -6.461 1.00 0.00 O ATOM 955 CB LYS A 69 -1.519 -4.783 -5.666 1.00 0.00 C ATOM 956 CG LYS A 69 -0.472 -5.893 -5.556 1.00 0.00 C ATOM 957 CD LYS A 69 -0.756 -7.015 -6.556 1.00 0.00 C ATOM 958 CE LYS A 69 0.147 -8.222 -6.297 1.00 0.00 C ATOM 959 NZ LYS A 69 0.985 -8.507 -7.483 1.00 0.00 N ATOM 0 H LYS A 69 -2.546 -2.473 -5.945 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.023 -3.845 -3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.474 -5.140 -5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.674 -4.527 -6.714 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.521 -5.481 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.469 -6.296 -4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.801 -7.316 -6.483 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.599 -6.650 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.783 -8.029 -5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.461 -9.094 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.592 -9.329 -7.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.374 -8.712 -8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.579 -7.680 -7.695 1.00 0.00 H new ATOM 973 N LEU A 70 1.049 -2.595 -4.276 1.00 0.00 N ATOM 974 CA LEU A 70 2.388 -2.078 -4.502 1.00 0.00 C ATOM 975 C LEU A 70 3.208 -3.118 -5.268 1.00 0.00 C ATOM 976 O LEU A 70 3.095 -4.315 -5.012 1.00 0.00 O ATOM 977 CB LEU A 70 3.025 -1.644 -3.181 1.00 0.00 C ATOM 978 CG LEU A 70 3.608 -0.229 -3.149 1.00 0.00 C ATOM 979 CD1 LEU A 70 4.453 -0.012 -1.893 1.00 0.00 C ATOM 980 CD2 LEU A 70 4.394 0.068 -4.428 1.00 0.00 C ATOM 0 H LEU A 70 0.751 -2.596 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 70 2.351 -1.181 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.274 -1.724 -2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.820 -2.348 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 70 2.782 0.481 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.855 1.001 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.833 -0.154 -1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.274 -0.728 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.798 1.079 -4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.212 -0.645 -4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.732 -0.018 -5.290 1.00 0.00 H new ATOM 992 N LEU A 71 4.017 -2.622 -6.194 1.00 0.00 N ATOM 993 CA LEU A 71 4.856 -3.493 -6.999 1.00 0.00 C ATOM 994 C LEU A 71 6.323 -3.110 -6.796 1.00 0.00 C ATOM 995 O LEU A 71 7.184 -3.980 -6.671 1.00 0.00 O ATOM 996 CB LEU A 71 4.409 -3.464 -8.462 1.00 0.00 C ATOM 997 CG LEU A 71 2.899 -3.444 -8.702 1.00 0.00 C ATOM 998 CD1 LEU A 71 2.576 -2.983 -10.125 1.00 0.00 C ATOM 999 CD2 LEU A 71 2.275 -4.804 -8.385 1.00 0.00 C ATOM 0 H LEU A 71 4.109 -1.628 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 71 4.749 -4.529 -6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.844 -2.584 -8.937 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.825 -4.336 -8.966 1.00 0.00 H new ATOM 0 HG LEU A 71 2.455 -2.719 -8.020 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.496 -2.978 -10.269 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.968 -1.978 -10.279 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.034 -3.665 -10.841 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.201 -4.762 -8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.720 -5.566 -9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.459 -5.054 -7.340 1.00 0.00 H new ATOM 1011 N GLU A 72 6.564 -1.808 -6.769 1.00 0.00 N ATOM 1012 CA GLU A 72 7.912 -1.299 -6.584 1.00 0.00 C ATOM 1013 C GLU A 72 7.877 0.048 -5.859 1.00 0.00 C ATOM 1014 O GLU A 72 6.952 0.836 -6.051 1.00 0.00 O ATOM 1015 CB GLU A 72 8.643 -1.183 -7.923 1.00 0.00 C ATOM 1016 CG GLU A 72 9.852 -0.251 -7.808 1.00 0.00 C ATOM 1017 CD GLU A 72 9.468 1.189 -8.153 1.00 0.00 C ATOM 1018 OE1 GLU A 72 9.121 1.417 -9.331 1.00 0.00 O ATOM 1019 OE2 GLU A 72 9.532 2.030 -7.230 1.00 0.00 O ATOM 0 H GLU A 72 5.848 -1.089 -6.872 1.00 0.00 H new ATOM 0 HA GLU A 72 8.465 -2.007 -5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.970 -2.170 -8.250 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.959 -0.806 -8.683 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.252 -0.292 -6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.643 -0.591 -8.477 1.00 0.00 H new ATOM 1026 N VAL A 73 8.895 0.271 -5.041 1.00 0.00 N ATOM 1027 CA VAL A 73 8.992 1.509 -4.287 1.00 0.00 C ATOM 1028 C VAL A 73 10.437 2.010 -4.321 1.00 0.00 C ATOM 1029 O VAL A 73 11.328 1.386 -3.748 1.00 0.00 O ATOM 1030 CB VAL A 73 8.466 1.298 -2.866 1.00 0.00 C ATOM 1031 CG1 VAL A 73 8.931 2.421 -1.937 1.00 0.00 C ATOM 1032 CG2 VAL A 73 6.940 1.178 -2.858 1.00 0.00 C ATOM 0 H VAL A 73 9.660 -0.385 -4.884 1.00 0.00 H new ATOM 0 HA VAL A 73 8.370 2.281 -4.739 1.00 0.00 H new ATOM 0 HB VAL A 73 8.878 0.361 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.543 2.247 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.020 2.441 -1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.561 3.377 -2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.592 1.029 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.501 2.091 -3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.639 0.329 -3.472 1.00 0.00 H new ATOM 1042 N ASN A 74 10.624 3.133 -4.999 1.00 0.00 N ATOM 1043 CA ASN A 74 11.946 3.725 -5.116 1.00 0.00 C ATOM 1044 C ASN A 74 12.751 2.963 -6.171 1.00 0.00 C ATOM 1045 O ASN A 74 13.926 3.251 -6.388 1.00 0.00 O ATOM 1046 CB ASN A 74 12.706 3.642 -3.790 1.00 0.00 C ATOM 1047 CG ASN A 74 13.349 4.985 -3.441 1.00 0.00 C ATOM 1048 OD1 ASN A 74 14.558 5.146 -3.453 1.00 0.00 O ATOM 1049 ND2 ASN A 74 12.475 5.939 -3.131 1.00 0.00 N ATOM 0 H ASN A 74 9.882 3.648 -5.473 1.00 0.00 H new ATOM 0 HA ASN A 74 11.823 4.771 -5.397 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.024 3.344 -2.994 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.475 2.873 -3.855 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.805 6.872 -2.884 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.475 5.737 -3.140 1.00 0.00 H new ATOM 1056 N GLY A 75 12.085 2.004 -6.798 1.00 0.00 N ATOM 1057 CA GLY A 75 12.723 1.199 -7.825 1.00 0.00 C ATOM 1058 C GLY A 75 12.856 -0.258 -7.375 1.00 0.00 C ATOM 1059 O GLY A 75 12.976 -1.159 -8.204 1.00 0.00 O ATOM 0 H GLY A 75 11.110 1.767 -6.614 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.140 1.248 -8.745 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.709 1.605 -8.051 1.00 0.00 H new ATOM 1063 N VAL A 76 12.831 -0.443 -6.063 1.00 0.00 N ATOM 1064 CA VAL A 76 12.947 -1.775 -5.493 1.00 0.00 C ATOM 1065 C VAL A 76 11.642 -2.539 -5.725 1.00 0.00 C ATOM 1066 O VAL A 76 10.558 -2.015 -5.472 1.00 0.00 O ATOM 1067 CB VAL A 76 13.330 -1.680 -4.015 1.00 0.00 C ATOM 1068 CG1 VAL A 76 12.187 -1.087 -3.189 1.00 0.00 C ATOM 1069 CG2 VAL A 76 13.751 -3.045 -3.469 1.00 0.00 C ATOM 0 H VAL A 76 12.732 0.307 -5.379 1.00 0.00 H new ATOM 0 HA VAL A 76 13.743 -2.334 -5.986 1.00 0.00 H new ATOM 0 HB VAL A 76 14.185 -1.009 -3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.486 -1.031 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.955 -0.087 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.305 -1.721 -3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.018 -2.949 -2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.925 -3.748 -3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.611 -3.412 -4.030 1.00 0.00 H new ATOM 1079 N ALA A 77 11.789 -3.766 -6.202 1.00 0.00 N ATOM 1080 CA ALA A 77 10.636 -4.608 -6.470 1.00 0.00 C ATOM 1081 C ALA A 77 10.121 -5.195 -5.154 1.00 0.00 C ATOM 1082 O ALA A 77 10.831 -5.941 -4.483 1.00 0.00 O ATOM 1083 CB ALA A 77 11.018 -5.692 -7.481 1.00 0.00 C ATOM 0 H ALA A 77 12.690 -4.197 -6.410 1.00 0.00 H new ATOM 0 HA ALA A 77 9.828 -4.023 -6.909 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.153 -6.324 -7.682 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.349 -5.224 -8.408 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.825 -6.301 -7.074 1.00 0.00 H new ATOM 1089 N LEU A 78 8.889 -4.834 -4.825 1.00 0.00 N ATOM 1090 CA LEU A 78 8.270 -5.315 -3.601 1.00 0.00 C ATOM 1091 C LEU A 78 7.230 -6.382 -3.946 1.00 0.00 C ATOM 1092 O LEU A 78 6.178 -6.456 -3.313 1.00 0.00 O ATOM 1093 CB LEU A 78 7.707 -4.146 -2.790 1.00 0.00 C ATOM 1094 CG LEU A 78 8.739 -3.195 -2.180 1.00 0.00 C ATOM 1095 CD1 LEU A 78 8.069 -2.191 -1.240 1.00 0.00 C ATOM 1096 CD2 LEU A 78 9.858 -3.973 -1.485 1.00 0.00 C ATOM 0 H LEU A 78 8.303 -4.214 -5.384 1.00 0.00 H new ATOM 0 HA LEU A 78 9.013 -5.789 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.045 -3.567 -3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.094 -4.550 -1.985 1.00 0.00 H new ATOM 0 HG LEU A 78 9.198 -2.624 -2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.824 -1.527 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.338 -1.604 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.567 -2.726 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.578 -3.273 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.435 -4.586 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.360 -4.614 -2.210 1.00 0.00 H new ATOM 1108 N GLN A 79 7.559 -7.183 -4.949 1.00 0.00 N ATOM 1109 CA GLN A 79 6.666 -8.242 -5.386 1.00 0.00 C ATOM 1110 C GLN A 79 6.940 -9.525 -4.599 1.00 0.00 C ATOM 1111 O GLN A 79 7.967 -10.173 -4.799 1.00 0.00 O ATOM 1112 CB GLN A 79 6.796 -8.484 -6.891 1.00 0.00 C ATOM 1113 CG GLN A 79 5.525 -8.056 -7.627 1.00 0.00 C ATOM 1114 CD GLN A 79 5.629 -8.358 -9.123 1.00 0.00 C ATOM 1115 OE1 GLN A 79 6.056 -7.538 -9.920 1.00 0.00 O ATOM 1116 NE2 GLN A 79 5.217 -9.577 -9.459 1.00 0.00 N ATOM 0 H GLN A 79 8.433 -7.119 -5.472 1.00 0.00 H new ATOM 0 HA GLN A 79 5.640 -7.930 -5.189 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.650 -7.929 -7.280 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.990 -9.540 -7.078 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.664 -8.576 -7.206 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.356 -6.989 -7.479 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.871 -10.214 -8.742 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.247 -9.875 -10.434 1.00 0.00 H new ATOM 1125 N GLY A 80 6.005 -9.854 -3.720 1.00 0.00 N ATOM 1126 CA GLY A 80 6.133 -11.049 -2.902 1.00 0.00 C ATOM 1127 C GLY A 80 7.248 -10.887 -1.867 1.00 0.00 C ATOM 1128 O GLY A 80 7.879 -11.866 -1.472 1.00 0.00 O ATOM 0 H GLY A 80 5.155 -9.314 -3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.189 -11.251 -2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.344 -11.909 -3.538 1.00 0.00 H new ATOM 1132 N ALA A 81 7.457 -9.645 -1.458 1.00 0.00 N ATOM 1133 CA ALA A 81 8.485 -9.342 -0.477 1.00 0.00 C ATOM 1134 C ALA A 81 7.860 -9.320 0.920 1.00 0.00 C ATOM 1135 O ALA A 81 6.676 -9.022 1.069 1.00 0.00 O ATOM 1136 CB ALA A 81 9.159 -8.016 -0.835 1.00 0.00 C ATOM 0 H ALA A 81 6.931 -8.836 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 81 9.257 -10.111 -0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.930 -7.789 -0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.612 -8.093 -1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.415 -7.219 -0.839 1.00 0.00 H new ATOM 1142 N GLU A 82 8.684 -9.640 1.907 1.00 0.00 N ATOM 1143 CA GLU A 82 8.227 -9.661 3.286 1.00 0.00 C ATOM 1144 C GLU A 82 7.894 -8.243 3.756 1.00 0.00 C ATOM 1145 O GLU A 82 8.222 -7.268 3.081 1.00 0.00 O ATOM 1146 CB GLU A 82 9.268 -10.311 4.199 1.00 0.00 C ATOM 1147 CG GLU A 82 8.994 -11.806 4.366 1.00 0.00 C ATOM 1148 CD GLU A 82 10.229 -12.534 4.901 1.00 0.00 C ATOM 1149 OE1 GLU A 82 11.328 -12.246 4.379 1.00 0.00 O ATOM 1150 OE2 GLU A 82 10.046 -13.362 5.819 1.00 0.00 O ATOM 0 H GLU A 82 9.665 -9.887 1.779 1.00 0.00 H new ATOM 0 HA GLU A 82 7.320 -10.263 3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.264 -10.165 3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.256 -9.824 5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.157 -11.952 5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.701 -12.235 3.408 1.00 0.00 H new ATOM 1157 N HIS A 83 7.246 -8.173 4.910 1.00 0.00 N ATOM 1158 CA HIS A 83 6.866 -6.892 5.478 1.00 0.00 C ATOM 1159 C HIS A 83 8.101 -5.998 5.603 1.00 0.00 C ATOM 1160 O HIS A 83 8.158 -4.924 5.007 1.00 0.00 O ATOM 1161 CB HIS A 83 6.135 -7.083 6.808 1.00 0.00 C ATOM 1162 CG HIS A 83 5.213 -5.943 7.172 1.00 0.00 C ATOM 1163 ND1 HIS A 83 4.049 -5.669 6.476 1.00 0.00 N ATOM 1164 CD2 HIS A 83 5.296 -5.012 8.165 1.00 0.00 C ATOM 1165 CE1 HIS A 83 3.466 -4.618 7.033 1.00 0.00 C ATOM 1166 NE2 HIS A 83 4.241 -4.212 8.080 1.00 0.00 N ATOM 0 H HIS A 83 6.975 -8.984 5.467 1.00 0.00 H new ATOM 0 HA HIS A 83 6.164 -6.390 4.813 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.556 -8.005 6.763 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.872 -7.208 7.601 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.087 -4.938 8.897 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.540 -4.163 6.714 1.00 0.00 H new ATOM 0 HE2 HIS A 83 4.042 -3.424 8.696 1.00 0.00 H new ATOM 1174 N HIS A 84 9.061 -6.476 6.383 1.00 0.00 N ATOM 1175 CA HIS A 84 10.292 -5.734 6.594 1.00 0.00 C ATOM 1176 C HIS A 84 10.838 -5.251 5.248 1.00 0.00 C ATOM 1177 O HIS A 84 11.171 -4.078 5.094 1.00 0.00 O ATOM 1178 CB HIS A 84 11.303 -6.572 7.378 1.00 0.00 C ATOM 1179 CG HIS A 84 11.795 -7.793 6.637 1.00 0.00 C ATOM 1180 ND1 HIS A 84 11.493 -9.083 7.035 1.00 0.00 N ATOM 1181 CD2 HIS A 84 12.569 -7.905 5.520 1.00 0.00 C ATOM 1182 CE1 HIS A 84 12.066 -9.927 6.189 1.00 0.00 C ATOM 1183 NE2 HIS A 84 12.733 -9.195 5.251 1.00 0.00 N ATOM 0 H HIS A 84 9.010 -7.368 6.876 1.00 0.00 H new ATOM 0 HA HIS A 84 10.090 -4.852 7.202 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.158 -5.946 7.634 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.847 -6.888 8.316 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.979 -7.084 4.951 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.014 -11.005 6.234 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.269 -9.576 4.471 1.00 0.00 H new ATOM 1191 N GLU A 85 10.912 -6.182 4.308 1.00 0.00 N ATOM 1192 CA GLU A 85 11.411 -5.867 2.981 1.00 0.00 C ATOM 1193 C GLU A 85 10.718 -4.616 2.436 1.00 0.00 C ATOM 1194 O GLU A 85 11.370 -3.734 1.878 1.00 0.00 O ATOM 1195 CB GLU A 85 11.230 -7.052 2.031 1.00 0.00 C ATOM 1196 CG GLU A 85 12.175 -8.198 2.397 1.00 0.00 C ATOM 1197 CD GLU A 85 12.852 -8.770 1.149 1.00 0.00 C ATOM 1198 OE1 GLU A 85 13.286 -7.949 0.312 1.00 0.00 O ATOM 1199 OE2 GLU A 85 12.921 -10.015 1.062 1.00 0.00 O ATOM 0 H GLU A 85 10.635 -7.155 4.440 1.00 0.00 H new ATOM 0 HA GLU A 85 12.479 -5.664 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.198 -7.400 2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.419 -6.733 1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.932 -7.841 3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.618 -8.985 2.906 1.00 0.00 H new ATOM 1206 N ALA A 86 9.406 -4.579 2.617 1.00 0.00 N ATOM 1207 CA ALA A 86 8.618 -3.452 2.151 1.00 0.00 C ATOM 1208 C ALA A 86 9.006 -2.201 2.943 1.00 0.00 C ATOM 1209 O ALA A 86 9.456 -1.212 2.367 1.00 0.00 O ATOM 1210 CB ALA A 86 7.129 -3.783 2.276 1.00 0.00 C ATOM 0 H ALA A 86 8.869 -5.312 3.080 1.00 0.00 H new ATOM 0 HA ALA A 86 8.820 -3.252 1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.538 -2.937 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.899 -4.661 1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.888 -3.987 3.319 1.00 0.00 H new ATOM 1216 N VAL A 87 8.817 -2.286 4.251 1.00 0.00 N ATOM 1217 CA VAL A 87 9.141 -1.174 5.128 1.00 0.00 C ATOM 1218 C VAL A 87 10.535 -0.648 4.782 1.00 0.00 C ATOM 1219 O VAL A 87 10.695 0.527 4.455 1.00 0.00 O ATOM 1220 CB VAL A 87 9.011 -1.605 6.590 1.00 0.00 C ATOM 1221 CG1 VAL A 87 9.496 -0.502 7.533 1.00 0.00 C ATOM 1222 CG2 VAL A 87 7.572 -2.011 6.916 1.00 0.00 C ATOM 0 H VAL A 87 8.443 -3.108 4.725 1.00 0.00 H new ATOM 0 HA VAL A 87 8.438 -0.354 4.981 1.00 0.00 H new ATOM 0 HB VAL A 87 9.648 -2.477 6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.392 -0.835 8.566 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.543 -0.281 7.326 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.898 0.397 7.380 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.507 -2.313 7.961 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.907 -1.166 6.741 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.276 -2.844 6.279 1.00 0.00 H new ATOM 1232 N GLU A 88 11.509 -1.542 4.867 1.00 0.00 N ATOM 1233 CA GLU A 88 12.884 -1.183 4.567 1.00 0.00 C ATOM 1234 C GLU A 88 12.940 -0.281 3.332 1.00 0.00 C ATOM 1235 O GLU A 88 13.486 0.819 3.386 1.00 0.00 O ATOM 1236 CB GLU A 88 13.748 -2.431 4.374 1.00 0.00 C ATOM 1237 CG GLU A 88 15.048 -2.326 5.173 1.00 0.00 C ATOM 1238 CD GLU A 88 16.125 -1.589 4.374 1.00 0.00 C ATOM 1239 OE1 GLU A 88 16.042 -0.343 4.324 1.00 0.00 O ATOM 1240 OE2 GLU A 88 17.007 -2.289 3.830 1.00 0.00 O ATOM 0 H GLU A 88 11.373 -2.515 5.140 1.00 0.00 H new ATOM 0 HA GLU A 88 13.287 -0.630 5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.193 -3.314 4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.976 -2.560 3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.862 -1.801 6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.401 -3.324 5.432 1.00 0.00 H new ATOM 1247 N ALA A 89 12.366 -0.781 2.247 1.00 0.00 N ATOM 1248 CA ALA A 89 12.344 -0.035 1.001 1.00 0.00 C ATOM 1249 C ALA A 89 11.760 1.356 1.255 1.00 0.00 C ATOM 1250 O ALA A 89 12.445 2.362 1.079 1.00 0.00 O ATOM 1251 CB ALA A 89 11.551 -0.817 -0.048 1.00 0.00 C ATOM 0 H ALA A 89 11.913 -1.694 2.206 1.00 0.00 H new ATOM 0 HA ALA A 89 13.355 0.097 0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.534 -0.257 -0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.023 -1.786 -0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.530 -0.966 0.304 1.00 0.00 H new ATOM 1257 N LEU A 90 10.500 1.368 1.664 1.00 0.00 N ATOM 1258 CA LEU A 90 9.816 2.619 1.944 1.00 0.00 C ATOM 1259 C LEU A 90 10.768 3.561 2.685 1.00 0.00 C ATOM 1260 O LEU A 90 10.942 4.712 2.288 1.00 0.00 O ATOM 1261 CB LEU A 90 8.505 2.359 2.689 1.00 0.00 C ATOM 1262 CG LEU A 90 7.348 1.823 1.844 1.00 0.00 C ATOM 1263 CD1 LEU A 90 6.365 1.026 2.702 1.00 0.00 C ATOM 1264 CD2 LEU A 90 6.656 2.955 1.082 1.00 0.00 C ATOM 0 H LEU A 90 9.935 0.531 1.808 1.00 0.00 H new ATOM 0 HA LEU A 90 9.534 3.115 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.701 1.649 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.186 3.290 3.158 1.00 0.00 H new ATOM 0 HG LEU A 90 7.757 1.137 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.552 0.657 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.882 0.183 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.958 1.669 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.837 2.547 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.263 3.684 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.374 3.442 0.422 1.00 0.00 H new ATOM 1276 N ARG A 91 11.358 3.037 3.749 1.00 0.00 N ATOM 1277 CA ARG A 91 12.288 3.816 4.549 1.00 0.00 C ATOM 1278 C ARG A 91 13.392 4.398 3.664 1.00 0.00 C ATOM 1279 O ARG A 91 13.663 5.597 3.710 1.00 0.00 O ATOM 1280 CB ARG A 91 12.922 2.960 5.647 1.00 0.00 C ATOM 1281 CG ARG A 91 11.861 2.448 6.624 1.00 0.00 C ATOM 1282 CD ARG A 91 12.372 2.500 8.065 1.00 0.00 C ATOM 1283 NE ARG A 91 12.138 3.844 8.637 1.00 0.00 N ATOM 1284 CZ ARG A 91 12.401 4.177 9.908 1.00 0.00 C ATOM 1285 NH1 ARG A 91 12.909 3.264 10.747 1.00 0.00 N ATOM 1286 NH2 ARG A 91 12.157 5.421 10.340 1.00 0.00 N ATOM 0 H ARG A 91 11.210 2.082 4.076 1.00 0.00 H new ATOM 0 HA ARG A 91 11.726 4.626 5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.446 2.116 5.198 1.00 0.00 H new ATOM 0 HB3 ARG A 91 13.666 3.546 6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.957 3.050 6.533 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.589 1.424 6.367 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.864 1.746 8.667 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.436 2.265 8.091 1.00 0.00 H new ATOM 0 HE ARG A 91 11.752 4.563 8.025 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.095 2.317 10.418 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.110 3.516 11.715 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.771 6.116 9.701 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.358 5.673 11.308 1.00 0.00 H new ATOM 1300 N GLY A 92 14.000 3.520 2.879 1.00 0.00 N ATOM 1301 CA GLY A 92 15.069 3.932 1.984 1.00 0.00 C ATOM 1302 C GLY A 92 14.512 4.683 0.773 1.00 0.00 C ATOM 1303 O GLY A 92 14.316 4.095 -0.290 1.00 0.00 O ATOM 0 H GLY A 92 13.773 2.526 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.771 4.570 2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.625 3.057 1.649 1.00 0.00 H new ATOM 1307 N ALA A 93 14.272 5.970 0.974 1.00 0.00 N ATOM 1308 CA ALA A 93 13.742 6.807 -0.088 1.00 0.00 C ATOM 1309 C ALA A 93 13.827 8.275 0.334 1.00 0.00 C ATOM 1310 O ALA A 93 13.500 8.619 1.469 1.00 0.00 O ATOM 1311 CB ALA A 93 12.309 6.376 -0.411 1.00 0.00 C ATOM 0 H ALA A 93 14.435 6.454 1.857 1.00 0.00 H new ATOM 0 HA ALA A 93 14.331 6.691 -0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.911 7.004 -1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.306 5.335 -0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.688 6.482 0.479 1.00 0.00 H new ATOM 1317 N GLY A 94 14.270 9.102 -0.601 1.00 0.00 N ATOM 1318 CA GLY A 94 14.403 10.525 -0.340 1.00 0.00 C ATOM 1319 C GLY A 94 13.078 11.253 -0.579 1.00 0.00 C ATOM 1320 O GLY A 94 12.019 10.628 -0.608 1.00 0.00 O ATOM 0 H GLY A 94 14.542 8.814 -1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 94 14.727 10.681 0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.175 10.946 -0.985 1.00 0.00 H new ATOM 1324 N THR A 95 13.181 12.564 -0.743 1.00 0.00 N ATOM 1325 CA THR A 95 12.004 13.383 -0.978 1.00 0.00 C ATOM 1326 C THR A 95 11.034 12.666 -1.919 1.00 0.00 C ATOM 1327 O THR A 95 10.070 12.049 -1.470 1.00 0.00 O ATOM 1328 CB THR A 95 12.471 14.741 -1.506 1.00 0.00 C ATOM 1329 OG1 THR A 95 13.085 15.359 -0.379 1.00 0.00 O ATOM 1330 CG2 THR A 95 11.303 15.668 -1.850 1.00 0.00 C ATOM 0 H THR A 95 14.061 13.079 -0.718 1.00 0.00 H new ATOM 0 HA THR A 95 11.448 13.550 -0.055 1.00 0.00 H new ATOM 0 HB THR A 95 13.090 14.593 -2.391 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.418 16.245 -0.633 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.689 16.618 -2.220 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.684 15.204 -2.618 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.703 15.843 -0.957 1.00 0.00 H new ATOM 1338 N ALA A 96 11.323 12.771 -3.208 1.00 0.00 N ATOM 1339 CA ALA A 96 10.489 12.140 -4.216 1.00 0.00 C ATOM 1340 C ALA A 96 10.606 10.620 -4.091 1.00 0.00 C ATOM 1341 O ALA A 96 11.635 10.042 -4.439 1.00 0.00 O ATOM 1342 CB ALA A 96 10.894 12.644 -5.603 1.00 0.00 C ATOM 0 H ALA A 96 12.124 13.284 -3.577 1.00 0.00 H new ATOM 0 HA ALA A 96 9.442 12.403 -4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.268 12.170 -6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.764 13.725 -5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.939 12.396 -5.789 1.00 0.00 H new ATOM 1348 N VAL A 97 9.538 10.015 -3.592 1.00 0.00 N ATOM 1349 CA VAL A 97 9.509 8.573 -3.417 1.00 0.00 C ATOM 1350 C VAL A 97 8.590 7.954 -4.472 1.00 0.00 C ATOM 1351 O VAL A 97 7.370 8.085 -4.391 1.00 0.00 O ATOM 1352 CB VAL A 97 9.093 8.228 -1.985 1.00 0.00 C ATOM 1353 CG1 VAL A 97 8.804 6.732 -1.844 1.00 0.00 C ATOM 1354 CG2 VAL A 97 10.157 8.678 -0.982 1.00 0.00 C ATOM 0 H VAL A 97 8.687 10.497 -3.303 1.00 0.00 H new ATOM 0 HA VAL A 97 10.503 8.150 -3.563 1.00 0.00 H new ATOM 0 HB VAL A 97 8.173 8.769 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.511 6.513 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.996 6.452 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.699 6.163 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.837 8.421 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.100 8.177 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.294 9.757 -1.056 1.00 0.00 H new ATOM 1364 N GLN A 98 9.211 7.292 -5.437 1.00 0.00 N ATOM 1365 CA GLN A 98 8.464 6.652 -6.506 1.00 0.00 C ATOM 1366 C GLN A 98 7.841 5.345 -6.011 1.00 0.00 C ATOM 1367 O GLN A 98 8.540 4.482 -5.482 1.00 0.00 O ATOM 1368 CB GLN A 98 9.354 6.407 -7.727 1.00 0.00 C ATOM 1369 CG GLN A 98 8.536 6.444 -9.019 1.00 0.00 C ATOM 1370 CD GLN A 98 9.346 5.899 -10.197 1.00 0.00 C ATOM 1371 OE1 GLN A 98 9.810 4.770 -10.195 1.00 0.00 O ATOM 1372 NE2 GLN A 98 9.490 6.761 -11.199 1.00 0.00 N ATOM 0 H GLN A 98 10.223 7.185 -5.501 1.00 0.00 H new ATOM 0 HA GLN A 98 7.660 7.322 -6.812 1.00 0.00 H new ATOM 0 HB2 GLN A 98 10.138 7.163 -7.767 1.00 0.00 H new ATOM 0 HB3 GLN A 98 9.848 5.440 -7.633 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.627 5.855 -8.895 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.227 7.468 -9.229 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.075 7.691 -11.135 1.00 0.00 H new ATOM 0 HE22 GLN A 98 10.015 6.493 -12.031 1.00 0.00 H new ATOM 1381 N MET A 99 6.534 5.241 -6.200 1.00 0.00 N ATOM 1382 CA MET A 99 5.810 4.054 -5.779 1.00 0.00 C ATOM 1383 C MET A 99 4.988 3.475 -6.932 1.00 0.00 C ATOM 1384 O MET A 99 4.058 4.115 -7.420 1.00 0.00 O ATOM 1385 CB MET A 99 4.879 4.409 -4.617 1.00 0.00 C ATOM 1386 CG MET A 99 5.660 4.536 -3.308 1.00 0.00 C ATOM 1387 SD MET A 99 4.835 3.626 -2.013 1.00 0.00 S ATOM 1388 CE MET A 99 3.862 4.934 -1.286 1.00 0.00 C ATOM 0 H MET A 99 5.958 5.959 -6.639 1.00 0.00 H new ATOM 0 HA MET A 99 6.534 3.304 -5.461 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.366 5.347 -4.831 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.112 3.642 -4.514 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.673 4.157 -3.441 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.747 5.586 -3.027 1.00 0.00 H new ATOM 0 HE1 MET A 99 3.202 4.517 -0.526 1.00 0.00 H new ATOM 0 HE2 MET A 99 4.524 5.669 -0.828 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.265 5.416 -2.060 1.00 0.00 H new ATOM 1398 N ARG A 100 5.362 2.269 -7.336 1.00 0.00 N ATOM 1399 CA ARG A 100 4.672 1.597 -8.423 1.00 0.00 C ATOM 1400 C ARG A 100 3.592 0.665 -7.870 1.00 0.00 C ATOM 1401 O ARG A 100 3.898 -0.407 -7.351 1.00 0.00 O ATOM 1402 CB ARG A 100 5.648 0.785 -9.277 1.00 0.00 C ATOM 1403 CG ARG A 100 5.004 0.367 -10.600 1.00 0.00 C ATOM 1404 CD ARG A 100 6.061 -0.107 -11.600 1.00 0.00 C ATOM 1405 NE ARG A 100 5.787 -1.505 -12.001 1.00 0.00 N ATOM 1406 CZ ARG A 100 6.706 -2.331 -12.519 1.00 0.00 C ATOM 1407 NH1 ARG A 100 7.963 -1.906 -12.701 1.00 0.00 N ATOM 1408 NH2 ARG A 100 6.367 -3.584 -12.855 1.00 0.00 N ATOM 0 H ARG A 100 6.134 1.741 -6.930 1.00 0.00 H new ATOM 0 HA ARG A 100 4.212 2.363 -9.047 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.542 1.376 -9.475 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.967 -0.101 -8.728 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.284 -0.431 -10.421 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.451 1.207 -11.021 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.059 0.539 -12.478 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.053 -0.036 -11.154 1.00 0.00 H new ATOM 0 HE ARG A 100 4.840 -1.862 -11.875 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.221 -0.953 -12.445 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.662 -2.535 -13.095 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.410 -3.908 -12.716 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.066 -4.213 -13.249 1.00 0.00 H new ATOM 1422 N VAL A 101 2.350 1.107 -8.001 1.00 0.00 N ATOM 1423 CA VAL A 101 1.223 0.326 -7.521 1.00 0.00 C ATOM 1424 C VAL A 101 0.524 -0.336 -8.710 1.00 0.00 C ATOM 1425 O VAL A 101 0.752 0.042 -9.858 1.00 0.00 O ATOM 1426 CB VAL A 101 0.287 1.211 -6.695 1.00 0.00 C ATOM 1427 CG1 VAL A 101 0.961 1.658 -5.395 1.00 0.00 C ATOM 1428 CG2 VAL A 101 -0.188 2.416 -7.508 1.00 0.00 C ATOM 0 H VAL A 101 2.099 1.996 -8.433 1.00 0.00 H new ATOM 0 HA VAL A 101 1.564 -0.470 -6.859 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.589 0.618 -6.432 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.275 2.286 -4.827 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.227 0.782 -4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.862 2.225 -5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.852 3.028 -6.897 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.673 3.010 -7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.724 2.070 -8.392 1.00 0.00 H new ATOM 1438 N TRP A 102 -0.314 -1.313 -8.394 1.00 0.00 N ATOM 1439 CA TRP A 102 -1.047 -2.032 -9.421 1.00 0.00 C ATOM 1440 C TRP A 102 -2.538 -1.757 -9.218 1.00 0.00 C ATOM 1441 O TRP A 102 -3.056 -1.910 -8.113 1.00 0.00 O ATOM 1442 CB TRP A 102 -0.706 -3.523 -9.397 1.00 0.00 C ATOM 1443 CG TRP A 102 -1.049 -4.261 -10.693 1.00 0.00 C ATOM 1444 CD1 TRP A 102 -0.727 -3.918 -11.948 1.00 0.00 C ATOM 1445 CD2 TRP A 102 -1.797 -5.490 -10.811 1.00 0.00 C ATOM 1446 NE1 TRP A 102 -1.212 -4.831 -12.862 1.00 0.00 N ATOM 1447 CE2 TRP A 102 -1.883 -5.817 -12.148 1.00 0.00 C ATOM 1448 CE3 TRP A 102 -2.382 -6.297 -9.819 1.00 0.00 C ATOM 1449 CZ2 TRP A 102 -2.546 -6.958 -12.617 1.00 0.00 C ATOM 1450 CZ3 TRP A 102 -3.042 -7.433 -10.304 1.00 0.00 C ATOM 1451 CH2 TRP A 102 -3.137 -7.777 -11.648 1.00 0.00 C ATOM 0 H TRP A 102 -0.501 -1.623 -7.440 1.00 0.00 H new ATOM 0 HA TRP A 102 -0.760 -1.684 -10.413 1.00 0.00 H new ATOM 0 HB2 TRP A 102 0.359 -3.638 -9.196 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.239 -3.994 -8.571 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.159 -3.038 -12.211 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -1.099 -4.790 -13.875 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -2.327 -6.060 -8.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -2.598 -7.193 -13.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -3.510 -8.088 -9.584 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -3.664 -8.672 -11.943 1.00 0.00 H new ATOM 1462 N ARG A 103 -3.187 -1.355 -10.301 1.00 0.00 N ATOM 1463 CA ARG A 103 -4.608 -1.057 -10.255 1.00 0.00 C ATOM 1464 C ARG A 103 -5.220 -1.170 -11.653 1.00 0.00 C ATOM 1465 O ARG A 103 -4.530 -0.981 -12.654 1.00 0.00 O ATOM 1466 CB ARG A 103 -4.858 0.350 -9.709 1.00 0.00 C ATOM 1467 CG ARG A 103 -6.234 0.444 -9.047 1.00 0.00 C ATOM 1468 CD ARG A 103 -6.381 1.756 -8.273 1.00 0.00 C ATOM 1469 NE ARG A 103 -5.727 2.857 -9.014 1.00 0.00 N ATOM 1470 CZ ARG A 103 -6.311 3.549 -10.002 1.00 0.00 C ATOM 1471 NH1 ARG A 103 -7.564 3.257 -10.374 1.00 0.00 N ATOM 1472 NH2 ARG A 103 -5.640 4.532 -10.618 1.00 0.00 N ATOM 0 H ARG A 103 -2.754 -1.229 -11.216 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.077 -1.782 -9.590 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.084 0.606 -8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.790 1.076 -10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -7.013 0.377 -9.807 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.375 -0.399 -8.371 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.437 1.984 -8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.934 1.656 -7.284 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.772 3.105 -8.757 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.074 2.508 -9.905 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.009 3.784 -11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -4.685 4.753 -10.335 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.084 5.059 -11.370 1.00 0.00 H new ATOM 1486 N GLU A 104 -6.508 -1.478 -11.678 1.00 0.00 N ATOM 1487 CA GLU A 104 -7.220 -1.619 -12.936 1.00 0.00 C ATOM 1488 C GLU A 104 -7.951 -0.320 -13.281 1.00 0.00 C ATOM 1489 O GLU A 104 -8.502 0.339 -12.400 1.00 0.00 O ATOM 1490 CB GLU A 104 -8.193 -2.799 -12.887 1.00 0.00 C ATOM 1491 CG GLU A 104 -9.464 -2.430 -12.119 1.00 0.00 C ATOM 1492 CD GLU A 104 -9.215 -2.439 -10.609 1.00 0.00 C ATOM 1493 OE1 GLU A 104 -9.285 -3.545 -10.030 1.00 0.00 O ATOM 1494 OE2 GLU A 104 -8.960 -1.341 -10.070 1.00 0.00 O ATOM 0 H GLU A 104 -7.077 -1.634 -10.846 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.492 -1.823 -13.721 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.452 -3.104 -13.901 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.711 -3.653 -12.411 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.806 -1.443 -12.429 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.259 -3.135 -12.364 1.00 0.00 H new