USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN :FLIP amide:sc= -5.51! C(o=-19!,f=-7.4!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -1.94! USER MOD Single : A 13 LYS NZ :NH3+ 154:sc= -0.0687 (180deg=-0.43) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.0971 USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00968 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 42 ASN : amide:sc= -1.54! C(o=-1.5!,f=-8.5!) USER MOD Single : A 44 THR OG1 : rot -15:sc= -0.413! USER MOD Single : A 49 GLN : amide:sc= -0.401 K(o=-0.4,f=-1.5) USER MOD Single : A 51 MET CE :methyl -174:sc= -0.35 (180deg=-0.378) USER MOD Single : A 53 SER OG : rot -19:sc= -0.25 USER MOD Single : A 70 SER OG : rot 77:sc= 0.5 USER MOD Single : A 72 MET CE :methyl -174:sc= 0 (180deg=-0.0162) USER MOD ----------------------------------------------------------------- ATOM 121 N ILE A 9 -14.904 -7.238 3.139 1.00 0.00 N ATOM 122 CA ILE A 9 -14.601 -5.867 3.516 1.00 0.00 C ATOM 123 C ILE A 9 -13.666 -5.850 4.725 1.00 0.00 C ATOM 124 O ILE A 9 -12.701 -5.089 4.760 1.00 0.00 O ATOM 125 CB ILE A 9 -15.890 -5.117 3.853 1.00 0.00 C ATOM 126 CG1 ILE A 9 -16.904 -5.290 2.717 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.591 -3.626 4.037 1.00 0.00 C ATOM 128 CD1 ILE A 9 -16.275 -4.925 1.372 1.00 0.00 C ATOM 0 HA ILE A 9 -14.110 -5.374 2.677 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.303 -5.523 4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -17.257 -6.321 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.774 -4.660 2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.513 -3.097 4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.876 -3.496 4.849 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.171 -3.223 3.116 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.011 -5.055 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.945 -3.886 1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.420 -5.573 1.182 1.00 0.00 H new ATOM 140 N VAL A 10 -13.954 -6.690 5.716 1.00 0.00 N ATOM 141 CA VAL A 10 -13.112 -6.749 6.905 1.00 0.00 C ATOM 142 C VAL A 10 -11.702 -7.194 6.526 1.00 0.00 C ATOM 143 O VAL A 10 -10.723 -6.587 6.947 1.00 0.00 O ATOM 144 CB VAL A 10 -13.710 -7.717 7.939 1.00 0.00 C ATOM 145 CG1 VAL A 10 -12.677 -8.018 9.033 1.00 0.00 C ATOM 146 CG2 VAL A 10 -14.938 -7.069 8.582 1.00 0.00 C ATOM 0 H VAL A 10 -14.750 -7.328 5.720 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.064 -5.754 7.347 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.991 -8.645 7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.108 -8.704 9.762 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.794 -8.473 8.584 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.394 -7.091 9.531 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.367 -7.751 9.316 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.644 -6.142 9.075 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.679 -6.851 7.813 1.00 0.00 H new ATOM 156 N ASP A 11 -11.604 -8.242 5.720 1.00 0.00 N ATOM 157 CA ASP A 11 -10.299 -8.732 5.303 1.00 0.00 C ATOM 158 C ASP A 11 -9.554 -7.641 4.546 1.00 0.00 C ATOM 159 O ASP A 11 -8.344 -7.471 4.713 1.00 0.00 O ATOM 160 CB ASP A 11 -10.453 -9.975 4.421 1.00 0.00 C ATOM 161 CG ASP A 11 -9.089 -10.595 4.142 1.00 0.00 C ATOM 162 OD1 ASP A 11 -8.309 -10.709 5.075 1.00 0.00 O ATOM 163 OD2 ASP A 11 -8.840 -10.949 3.001 1.00 0.00 O ATOM 0 H ASP A 11 -12.399 -8.762 5.347 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.726 -9.005 6.189 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.097 -10.703 4.915 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.937 -9.706 3.482 1.00 0.00 H new ATOM 168 N PHE A 12 -10.284 -6.903 3.715 1.00 0.00 N ATOM 169 CA PHE A 12 -9.671 -5.831 2.942 1.00 0.00 C ATOM 170 C PHE A 12 -9.310 -4.667 3.855 1.00 0.00 C ATOM 171 O PHE A 12 -8.155 -4.244 3.904 1.00 0.00 O ATOM 172 CB PHE A 12 -10.622 -5.358 1.822 1.00 0.00 C ATOM 173 CG PHE A 12 -10.476 -6.250 0.607 1.00 0.00 C ATOM 174 CD1 PHE A 12 -10.276 -7.630 0.750 1.00 0.00 C ATOM 175 CD2 PHE A 12 -10.534 -5.685 -0.664 1.00 0.00 C ATOM 176 CE1 PHE A 12 -10.134 -8.436 -0.381 1.00 0.00 C ATOM 177 CE2 PHE A 12 -10.396 -6.491 -1.798 1.00 0.00 C ATOM 178 CZ PHE A 12 -10.194 -7.869 -1.657 1.00 0.00 C ATOM 0 H PHE A 12 -11.285 -7.025 3.562 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.760 -6.213 2.481 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.653 -5.378 2.176 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.397 -4.326 1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.232 -8.070 1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.686 -4.621 -0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.978 -9.499 -0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.445 -6.050 -2.783 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.085 -8.492 -2.532 1.00 0.00 H new ATOM 188 N LYS A 13 -10.296 -4.146 4.576 1.00 0.00 N ATOM 189 CA LYS A 13 -10.052 -3.026 5.468 1.00 0.00 C ATOM 190 C LYS A 13 -8.993 -3.407 6.504 1.00 0.00 C ATOM 191 O LYS A 13 -8.117 -2.610 6.835 1.00 0.00 O ATOM 192 CB LYS A 13 -11.371 -2.641 6.170 1.00 0.00 C ATOM 193 CG LYS A 13 -11.375 -1.152 6.542 1.00 0.00 C ATOM 194 CD LYS A 13 -10.184 -0.825 7.457 1.00 0.00 C ATOM 195 CE LYS A 13 -10.481 0.447 8.256 1.00 0.00 C ATOM 196 NZ LYS A 13 -11.501 0.141 9.296 1.00 0.00 N ATOM 0 H LYS A 13 -11.260 -4.478 4.559 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.686 -2.174 4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.214 -2.859 5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.500 -3.245 7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.325 -0.545 5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.308 -0.899 7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.995 -1.657 8.136 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.282 -0.689 6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.569 0.820 8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.844 1.232 7.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.398 0.806 10.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.453 0.234 8.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.366 -0.831 9.639 1.00 0.00 H new ATOM 210 N GLU A 14 -9.052 -4.639 6.995 1.00 0.00 N ATOM 211 CA GLU A 14 -8.071 -5.092 7.972 1.00 0.00 C ATOM 212 C GLU A 14 -6.697 -5.126 7.346 1.00 0.00 C ATOM 213 O GLU A 14 -5.699 -4.823 7.991 1.00 0.00 O ATOM 214 CB GLU A 14 -8.428 -6.478 8.469 1.00 0.00 C ATOM 215 CG GLU A 14 -7.468 -6.895 9.588 1.00 0.00 C ATOM 216 CD GLU A 14 -7.841 -8.284 10.106 1.00 0.00 C ATOM 217 OE1 GLU A 14 -8.931 -8.739 9.799 1.00 0.00 O ATOM 218 OE2 GLU A 14 -7.028 -8.872 10.799 1.00 0.00 O ATOM 0 H GLU A 14 -9.756 -5.331 6.738 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.072 -4.397 8.812 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.454 -6.489 8.836 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.375 -7.193 7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.443 -6.899 9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.509 -6.171 10.402 1.00 0.00 H new ATOM 225 N ALA A 15 -6.663 -5.481 6.077 1.00 0.00 N ATOM 226 CA ALA A 15 -5.393 -5.527 5.356 1.00 0.00 C ATOM 227 C ALA A 15 -4.833 -4.119 5.171 1.00 0.00 C ATOM 228 O ALA A 15 -3.626 -3.902 5.295 1.00 0.00 O ATOM 229 CB ALA A 15 -5.556 -6.195 3.986 1.00 0.00 C ATOM 0 H ALA A 15 -7.481 -5.739 5.526 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.698 -6.119 5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.594 -6.214 3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.917 -7.215 4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.273 -5.631 3.389 1.00 0.00 H new ATOM 235 N PHE A 16 -5.709 -3.154 4.881 1.00 0.00 N ATOM 236 CA PHE A 16 -5.278 -1.774 4.694 1.00 0.00 C ATOM 237 C PHE A 16 -4.790 -1.170 6.003 1.00 0.00 C ATOM 238 O PHE A 16 -3.734 -0.537 6.051 1.00 0.00 O ATOM 239 CB PHE A 16 -6.442 -0.944 4.156 1.00 0.00 C ATOM 240 CG PHE A 16 -5.974 0.463 3.884 1.00 0.00 C ATOM 241 CD1 PHE A 16 -5.333 0.767 2.679 1.00 0.00 C ATOM 242 CD2 PHE A 16 -6.189 1.468 4.833 1.00 0.00 C ATOM 243 CE1 PHE A 16 -4.908 2.074 2.422 1.00 0.00 C ATOM 244 CE2 PHE A 16 -5.759 2.772 4.576 1.00 0.00 C ATOM 245 CZ PHE A 16 -5.118 3.074 3.371 1.00 0.00 C ATOM 0 H PHE A 16 -6.712 -3.304 4.772 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.453 -1.767 3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.830 -1.393 3.241 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.259 -0.934 4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.166 -0.009 1.946 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.687 1.236 5.763 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.417 2.309 1.489 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.922 3.548 5.309 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.785 4.083 3.175 1.00 0.00 H new ATOM 255 N GLY A 17 -5.569 -1.356 7.064 1.00 0.00 N ATOM 256 CA GLY A 17 -5.200 -0.810 8.362 1.00 0.00 C ATOM 257 C GLY A 17 -3.862 -1.372 8.819 1.00 0.00 C ATOM 258 O GLY A 17 -3.017 -0.644 9.339 1.00 0.00 O ATOM 0 H GLY A 17 -6.448 -1.874 7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.143 0.277 8.302 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.970 -1.049 9.095 1.00 0.00 H new ATOM 262 N LEU A 18 -3.671 -2.670 8.619 1.00 0.00 N ATOM 263 CA LEU A 18 -2.429 -3.312 9.012 1.00 0.00 C ATOM 264 C LEU A 18 -1.267 -2.719 8.213 1.00 0.00 C ATOM 265 O LEU A 18 -0.167 -2.538 8.728 1.00 0.00 O ATOM 266 CB LEU A 18 -2.538 -4.832 8.760 1.00 0.00 C ATOM 267 CG LEU A 18 -1.727 -5.620 9.800 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.945 -7.125 9.590 1.00 0.00 C ATOM 269 CD2 LEU A 18 -0.235 -5.291 9.666 1.00 0.00 C ATOM 0 H LEU A 18 -4.356 -3.292 8.190 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.245 -3.141 10.073 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.584 -5.137 8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.177 -5.065 7.758 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.063 -5.340 10.798 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.369 -7.683 10.329 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.004 -7.359 9.704 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.617 -7.404 8.588 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.330 -5.855 10.408 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.109 -5.560 8.667 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.082 -4.224 9.828 1.00 0.00 H new ATOM 281 N PHE A 19 -1.524 -2.421 6.942 1.00 0.00 N ATOM 282 CA PHE A 19 -0.493 -1.857 6.076 1.00 0.00 C ATOM 283 C PHE A 19 -0.184 -0.430 6.472 1.00 0.00 C ATOM 284 O PHE A 19 0.968 0.001 6.456 1.00 0.00 O ATOM 285 CB PHE A 19 -0.959 -1.913 4.621 1.00 0.00 C ATOM 286 CG PHE A 19 -1.000 -3.355 4.112 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.913 -4.469 4.990 1.00 0.00 C ATOM 288 CD2 PHE A 19 -1.118 -3.581 2.734 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.945 -5.765 4.483 1.00 0.00 C ATOM 290 CE2 PHE A 19 -1.146 -4.892 2.236 1.00 0.00 C ATOM 291 CZ PHE A 19 -1.060 -5.979 3.112 1.00 0.00 C ATOM 0 H PHE A 19 -2.429 -2.559 6.492 1.00 0.00 H new ATOM 0 HA PHE A 19 0.418 -2.445 6.185 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.949 -1.465 4.535 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.287 -1.323 3.998 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.822 -4.310 6.054 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.187 -2.744 2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.880 -6.608 5.156 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.234 -5.063 1.173 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.083 -6.987 2.724 1.00 0.00 H new ATOM 301 N ASP A 20 -1.221 0.292 6.834 1.00 0.00 N ATOM 302 CA ASP A 20 -1.071 1.674 7.244 1.00 0.00 C ATOM 303 C ASP A 20 -0.778 1.750 8.741 1.00 0.00 C ATOM 304 O ASP A 20 -1.436 2.480 9.475 1.00 0.00 O ATOM 305 CB ASP A 20 -2.354 2.420 6.910 1.00 0.00 C ATOM 306 CG ASP A 20 -2.288 3.852 7.432 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.208 4.278 7.800 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.322 4.498 7.454 1.00 0.00 O ATOM 0 H ASP A 20 -2.180 -0.054 6.853 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.235 2.132 6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.508 2.426 5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.207 1.904 7.351 1.00 0.00 H new ATOM 313 N LYS A 21 0.189 0.947 9.187 1.00 0.00 N ATOM 314 CA LYS A 21 0.555 0.886 10.607 1.00 0.00 C ATOM 315 C LYS A 21 0.435 2.265 11.276 1.00 0.00 C ATOM 316 O LYS A 21 0.196 2.351 12.479 1.00 0.00 O ATOM 317 CB LYS A 21 2.004 0.366 10.744 1.00 0.00 C ATOM 318 CG LYS A 21 1.998 -1.135 11.061 1.00 0.00 C ATOM 319 CD LYS A 21 3.417 -1.681 10.969 1.00 0.00 C ATOM 320 CE LYS A 21 4.283 -1.137 12.117 1.00 0.00 C ATOM 321 NZ LYS A 21 5.545 -1.926 12.206 1.00 0.00 N ATOM 0 H LYS A 21 0.735 0.329 8.587 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.134 0.206 11.108 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.553 0.548 9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.521 0.910 11.534 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.596 -1.305 12.060 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.348 -1.662 10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.396 -2.770 11.007 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.858 -1.404 10.011 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.511 -0.085 11.947 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.737 -1.197 13.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.131 -1.558 12.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.318 -2.925 12.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.068 -1.847 11.311 1.00 0.00 H new ATOM 335 N ASP A 22 0.620 3.331 10.505 1.00 0.00 N ATOM 336 CA ASP A 22 0.544 4.677 11.063 1.00 0.00 C ATOM 337 C ASP A 22 -0.894 5.060 11.408 1.00 0.00 C ATOM 338 O ASP A 22 -1.128 5.863 12.314 1.00 0.00 O ATOM 339 CB ASP A 22 1.097 5.676 10.052 1.00 0.00 C ATOM 340 CG ASP A 22 2.411 5.158 9.479 1.00 0.00 C ATOM 341 OD1 ASP A 22 3.279 4.806 10.262 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.527 5.117 8.266 1.00 0.00 O ATOM 0 H ASP A 22 0.821 3.292 9.506 1.00 0.00 H new ATOM 0 HA ASP A 22 1.133 4.696 11.980 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.376 5.832 9.249 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.255 6.642 10.531 1.00 0.00 H new ATOM 347 N GLY A 23 -1.855 4.482 10.691 1.00 0.00 N ATOM 348 CA GLY A 23 -3.263 4.769 10.941 1.00 0.00 C ATOM 349 C GLY A 23 -3.694 6.094 10.314 1.00 0.00 C ATOM 350 O GLY A 23 -4.795 6.578 10.574 1.00 0.00 O ATOM 0 H GLY A 23 -1.685 3.816 9.937 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.875 3.961 10.540 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.442 4.801 12.016 1.00 0.00 H new ATOM 354 N ASP A 24 -2.821 6.692 9.506 1.00 0.00 N ATOM 355 CA ASP A 24 -3.143 7.970 8.879 1.00 0.00 C ATOM 356 C ASP A 24 -4.251 7.803 7.844 1.00 0.00 C ATOM 357 O ASP A 24 -4.793 8.785 7.336 1.00 0.00 O ATOM 358 CB ASP A 24 -1.900 8.563 8.208 1.00 0.00 C ATOM 359 CG ASP A 24 -1.541 7.761 6.960 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.916 6.601 6.898 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.893 8.316 6.088 1.00 0.00 O ATOM 0 H ASP A 24 -1.900 6.319 9.273 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.490 8.649 9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.084 9.603 7.940 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.063 8.557 8.906 1.00 0.00 H new ATOM 366 N GLY A 25 -4.585 6.556 7.539 1.00 0.00 N ATOM 367 CA GLY A 25 -5.636 6.270 6.568 1.00 0.00 C ATOM 368 C GLY A 25 -5.074 6.237 5.149 1.00 0.00 C ATOM 369 O GLY A 25 -5.790 5.922 4.199 1.00 0.00 O ATOM 0 H GLY A 25 -4.147 5.730 7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.101 5.312 6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.416 7.028 6.637 1.00 0.00 H new ATOM 373 N CYS A 26 -3.791 6.579 5.007 1.00 0.00 N ATOM 374 CA CYS A 26 -3.141 6.598 3.690 1.00 0.00 C ATOM 375 C CYS A 26 -1.834 5.810 3.711 1.00 0.00 C ATOM 376 O CYS A 26 -0.998 6.003 4.594 1.00 0.00 O ATOM 377 CB CYS A 26 -2.848 8.043 3.281 1.00 0.00 C ATOM 378 SG CYS A 26 -4.350 9.040 3.461 1.00 0.00 S ATOM 0 H CYS A 26 -3.183 6.845 5.781 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.817 6.134 2.972 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.051 8.453 3.901 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.499 8.076 2.249 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.100 10.268 3.115 1.00 0.00 H new ATOM 384 N ILE A 27 -1.658 4.931 2.721 1.00 0.00 N ATOM 385 CA ILE A 27 -0.432 4.131 2.624 1.00 0.00 C ATOM 386 C ILE A 27 0.501 4.752 1.586 1.00 0.00 C ATOM 387 O ILE A 27 0.185 4.762 0.397 1.00 0.00 O ATOM 388 CB ILE A 27 -0.752 2.696 2.177 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.625 1.987 3.215 1.00 0.00 C ATOM 390 CG2 ILE A 27 0.553 1.910 2.008 1.00 0.00 C ATOM 391 CD1 ILE A 27 -2.159 0.682 2.613 1.00 0.00 C ATOM 0 H ILE A 27 -2.340 4.755 1.983 1.00 0.00 H new ATOM 0 HA ILE A 27 0.039 4.111 3.607 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.291 2.743 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.045 1.777 4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.453 2.630 3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.326 0.892 1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.175 2.395 1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.087 1.884 2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.782 0.171 3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.752 0.906 1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.323 0.040 2.337 1.00 0.00 H new ATOM 403 N THR A 28 1.650 5.255 2.027 1.00 0.00 N ATOM 404 CA THR A 28 2.604 5.852 1.093 1.00 0.00 C ATOM 405 C THR A 28 3.435 4.754 0.447 1.00 0.00 C ATOM 406 O THR A 28 3.457 3.622 0.929 1.00 0.00 O ATOM 407 CB THR A 28 3.525 6.833 1.824 1.00 0.00 C ATOM 408 OG1 THR A 28 4.534 6.112 2.515 1.00 0.00 O ATOM 409 CG2 THR A 28 2.711 7.652 2.820 1.00 0.00 C ATOM 0 H THR A 28 1.941 5.263 3.005 1.00 0.00 H new ATOM 0 HA THR A 28 2.054 6.396 0.325 1.00 0.00 H new ATOM 0 HB THR A 28 3.989 7.502 1.099 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.124 6.740 2.981 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.367 8.350 3.340 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.938 8.208 2.289 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.244 6.985 3.545 1.00 0.00 H new ATOM 417 N VAL A 29 4.113 5.080 -0.647 1.00 0.00 N ATOM 418 CA VAL A 29 4.924 4.081 -1.335 1.00 0.00 C ATOM 419 C VAL A 29 5.979 3.503 -0.393 1.00 0.00 C ATOM 420 O VAL A 29 6.212 2.294 -0.378 1.00 0.00 O ATOM 421 CB VAL A 29 5.603 4.691 -2.562 1.00 0.00 C ATOM 422 CG1 VAL A 29 6.451 5.894 -2.141 1.00 0.00 C ATOM 423 CG2 VAL A 29 6.503 3.638 -3.221 1.00 0.00 C ATOM 0 H VAL A 29 4.119 6.008 -1.070 1.00 0.00 H new ATOM 0 HA VAL A 29 4.264 3.277 -1.661 1.00 0.00 H new ATOM 0 HB VAL A 29 4.842 5.018 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.933 6.325 -3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.813 6.643 -1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.213 5.572 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.988 4.070 -4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.262 3.311 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.900 2.783 -3.526 1.00 0.00 H new ATOM 433 N GLU A 30 6.605 4.367 0.393 1.00 0.00 N ATOM 434 CA GLU A 30 7.618 3.921 1.335 1.00 0.00 C ATOM 435 C GLU A 30 7.026 2.898 2.302 1.00 0.00 C ATOM 436 O GLU A 30 7.666 1.899 2.647 1.00 0.00 O ATOM 437 CB GLU A 30 8.156 5.120 2.114 1.00 0.00 C ATOM 438 CG GLU A 30 8.977 6.015 1.185 1.00 0.00 C ATOM 439 CD GLU A 30 9.410 7.279 1.922 1.00 0.00 C ATOM 440 OE1 GLU A 30 9.009 7.442 3.063 1.00 0.00 O ATOM 441 OE2 GLU A 30 10.143 8.059 1.338 1.00 0.00 O ATOM 0 H GLU A 30 6.431 5.372 0.397 1.00 0.00 H new ATOM 0 HA GLU A 30 8.433 3.452 0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.330 5.687 2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.774 4.778 2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.854 5.475 0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.387 6.280 0.308 1.00 0.00 H new ATOM 448 N GLU A 31 5.784 3.135 2.714 1.00 0.00 N ATOM 449 CA GLU A 31 5.103 2.222 3.617 1.00 0.00 C ATOM 450 C GLU A 31 4.741 0.929 2.894 1.00 0.00 C ATOM 451 O GLU A 31 4.834 -0.157 3.465 1.00 0.00 O ATOM 452 CB GLU A 31 3.839 2.879 4.150 1.00 0.00 C ATOM 453 CG GLU A 31 4.216 4.056 5.051 1.00 0.00 C ATOM 454 CD GLU A 31 2.961 4.824 5.430 1.00 0.00 C ATOM 455 OE1 GLU A 31 1.891 4.387 5.042 1.00 0.00 O ATOM 456 OE2 GLU A 31 3.085 5.837 6.094 1.00 0.00 O ATOM 0 H GLU A 31 5.234 3.948 2.437 1.00 0.00 H new ATOM 0 HA GLU A 31 5.770 1.986 4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.220 3.225 3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.248 2.154 4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.719 3.695 5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.916 4.713 4.535 1.00 0.00 H new ATOM 463 N LEU A 32 4.343 1.053 1.629 1.00 0.00 N ATOM 464 CA LEU A 32 3.991 -0.125 0.848 1.00 0.00 C ATOM 465 C LEU A 32 5.229 -1.007 0.728 1.00 0.00 C ATOM 466 O LEU A 32 5.157 -2.224 0.905 1.00 0.00 O ATOM 467 CB LEU A 32 3.487 0.279 -0.545 1.00 0.00 C ATOM 468 CG LEU A 32 2.960 -0.964 -1.301 1.00 0.00 C ATOM 469 CD1 LEU A 32 1.487 -1.217 -0.951 1.00 0.00 C ATOM 470 CD2 LEU A 32 3.074 -0.733 -2.804 1.00 0.00 C ATOM 0 H LEU A 32 4.258 1.940 1.133 1.00 0.00 H new ATOM 0 HA LEU A 32 3.189 -0.671 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.694 1.021 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.294 0.744 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 32 3.555 -1.828 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.130 -2.094 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.392 -1.387 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.891 -0.350 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.703 -1.609 -3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.483 0.139 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.118 -0.564 -3.068 1.00 0.00 H new ATOM 482 N ALA A 33 6.369 -0.379 0.436 1.00 0.00 N ATOM 483 CA ALA A 33 7.622 -1.117 0.309 1.00 0.00 C ATOM 484 C ALA A 33 7.902 -1.884 1.597 1.00 0.00 C ATOM 485 O ALA A 33 8.329 -3.037 1.560 1.00 0.00 O ATOM 486 CB ALA A 33 8.775 -0.154 0.016 1.00 0.00 C ATOM 0 H ALA A 33 6.449 0.627 0.285 1.00 0.00 H new ATOM 0 HA ALA A 33 7.534 -1.822 -0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.704 -0.716 -0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.578 0.377 -0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.865 0.564 0.831 1.00 0.00 H new ATOM 492 N THR A 34 7.627 -1.251 2.734 1.00 0.00 N ATOM 493 CA THR A 34 7.819 -1.912 4.018 1.00 0.00 C ATOM 494 C THR A 34 6.868 -3.110 4.127 1.00 0.00 C ATOM 495 O THR A 34 7.261 -4.173 4.608 1.00 0.00 O ATOM 496 CB THR A 34 7.597 -0.918 5.173 1.00 0.00 C ATOM 497 OG1 THR A 34 8.738 -0.080 5.286 1.00 0.00 O ATOM 498 CG2 THR A 34 7.378 -1.661 6.498 1.00 0.00 C ATOM 0 H THR A 34 7.276 -0.295 2.792 1.00 0.00 H new ATOM 0 HA THR A 34 8.844 -2.276 4.087 1.00 0.00 H new ATOM 0 HB THR A 34 6.709 -0.323 4.960 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.604 0.557 6.018 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.223 -0.938 7.299 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.501 -2.303 6.414 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.254 -2.270 6.723 1.00 0.00 H new ATOM 506 N VAL A 35 5.614 -2.947 3.677 1.00 0.00 N ATOM 507 CA VAL A 35 4.661 -4.054 3.744 1.00 0.00 C ATOM 508 C VAL A 35 5.077 -5.176 2.795 1.00 0.00 C ATOM 509 O VAL A 35 5.111 -6.343 3.179 1.00 0.00 O ATOM 510 CB VAL A 35 3.238 -3.571 3.416 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.304 -4.778 3.274 1.00 0.00 C ATOM 512 CG2 VAL A 35 2.742 -2.689 4.560 1.00 0.00 C ATOM 0 H VAL A 35 5.248 -2.084 3.275 1.00 0.00 H new ATOM 0 HA VAL A 35 4.662 -4.443 4.762 1.00 0.00 H new ATOM 0 HB VAL A 35 3.248 -3.008 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.296 -4.433 3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.661 -5.422 2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.289 -5.338 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.733 -2.340 4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.732 -3.265 5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.406 -1.832 4.673 1.00 0.00 H new ATOM 522 N ILE A 36 5.409 -4.812 1.561 1.00 0.00 N ATOM 523 CA ILE A 36 5.830 -5.797 0.573 1.00 0.00 C ATOM 524 C ILE A 36 7.138 -6.433 1.016 1.00 0.00 C ATOM 525 O ILE A 36 7.345 -7.634 0.854 1.00 0.00 O ATOM 526 CB ILE A 36 5.976 -5.149 -0.817 1.00 0.00 C ATOM 527 CG1 ILE A 36 4.658 -4.434 -1.209 1.00 0.00 C ATOM 528 CG2 ILE A 36 6.316 -6.227 -1.862 1.00 0.00 C ATOM 529 CD1 ILE A 36 3.660 -5.429 -1.831 1.00 0.00 C ATOM 0 H ILE A 36 5.395 -3.850 1.223 1.00 0.00 H new ATOM 0 HA ILE A 36 5.068 -6.573 0.496 1.00 0.00 H new ATOM 0 HB ILE A 36 6.782 -4.415 -0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.215 -3.970 -0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.870 -3.634 -1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.418 -5.763 -2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.253 -6.713 -1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.518 -6.969 -1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.742 -4.905 -2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.098 -5.873 -2.725 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.432 -6.214 -1.110 1.00 0.00 H new ATOM 541 N ARG A 37 8.012 -5.619 1.589 1.00 0.00 N ATOM 542 CA ARG A 37 9.294 -6.107 2.073 1.00 0.00 C ATOM 543 C ARG A 37 9.094 -7.189 3.128 1.00 0.00 C ATOM 544 O ARG A 37 9.808 -8.191 3.146 1.00 0.00 O ATOM 545 CB ARG A 37 10.097 -4.948 2.671 1.00 0.00 C ATOM 546 CG ARG A 37 11.382 -5.484 3.306 1.00 0.00 C ATOM 547 CD ARG A 37 12.281 -4.320 3.706 1.00 0.00 C ATOM 548 NE ARG A 37 12.934 -3.756 2.532 1.00 0.00 N ATOM 549 CZ ARG A 37 13.568 -2.594 2.599 1.00 0.00 C ATOM 550 NH1 ARG A 37 13.607 -1.942 3.729 1.00 0.00 N ATOM 551 NH2 ARG A 37 14.155 -2.107 1.542 1.00 0.00 N ATOM 0 H ARG A 37 7.857 -4.621 1.730 1.00 0.00 H new ATOM 0 HA ARG A 37 9.841 -6.535 1.233 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.339 -4.222 1.895 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.500 -4.427 3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.142 -6.088 4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.903 -6.134 2.603 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.691 -3.552 4.206 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.032 -4.660 4.419 1.00 0.00 H new ATOM 0 HE ARG A 37 12.903 -4.262 1.647 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.151 -2.327 4.556 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.094 -1.047 3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.127 -2.620 0.661 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.642 -1.213 1.596 1.00 0.00 H new ATOM 565 N SER A 38 8.124 -6.976 4.002 1.00 0.00 N ATOM 566 CA SER A 38 7.832 -7.940 5.057 1.00 0.00 C ATOM 567 C SER A 38 7.142 -9.178 4.502 1.00 0.00 C ATOM 568 O SER A 38 7.334 -10.285 5.005 1.00 0.00 O ATOM 569 CB SER A 38 6.933 -7.305 6.116 1.00 0.00 C ATOM 570 OG SER A 38 7.019 -8.071 7.313 1.00 0.00 O ATOM 0 H SER A 38 7.527 -6.149 4.005 1.00 0.00 H new ATOM 0 HA SER A 38 8.782 -8.237 5.502 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.240 -6.276 6.304 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.902 -7.270 5.764 1.00 0.00 H new ATOM 0 HG SER A 38 6.446 -7.670 8.000 1.00 0.00 H new ATOM 576 N LEU A 39 6.304 -8.981 3.491 1.00 0.00 N ATOM 577 CA LEU A 39 5.552 -10.079 2.917 1.00 0.00 C ATOM 578 C LEU A 39 6.448 -11.155 2.323 1.00 0.00 C ATOM 579 O LEU A 39 6.161 -12.327 2.531 1.00 0.00 O ATOM 580 CB LEU A 39 4.595 -9.557 1.839 1.00 0.00 C ATOM 581 CG LEU A 39 3.351 -8.929 2.490 1.00 0.00 C ATOM 582 CD1 LEU A 39 2.522 -8.218 1.410 1.00 0.00 C ATOM 583 CD2 LEU A 39 2.487 -10.012 3.190 1.00 0.00 C ATOM 0 H LEU A 39 6.132 -8.074 3.057 1.00 0.00 H new ATOM 0 HA LEU A 39 4.988 -10.535 3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.102 -8.817 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.297 -10.373 1.181 1.00 0.00 H new ATOM 0 HG LEU A 39 3.672 -8.211 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.638 -7.771 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.124 -7.438 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.214 -8.940 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.613 -9.544 3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.164 -10.750 2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.077 -10.504 3.963 1.00 0.00 H new ATOM 595 N ASP A 40 7.519 -10.749 1.613 1.00 0.00 N ATOM 596 CA ASP A 40 8.481 -11.693 0.985 1.00 0.00 C ATOM 597 C ASP A 40 8.937 -11.187 -0.389 1.00 0.00 C ATOM 598 O ASP A 40 9.550 -11.938 -1.146 1.00 0.00 O ATOM 599 CB ASP A 40 7.884 -13.105 0.797 1.00 0.00 C ATOM 600 CG ASP A 40 7.966 -13.915 2.097 1.00 0.00 C ATOM 601 OD1 ASP A 40 8.582 -13.435 3.031 1.00 0.00 O ATOM 602 OD2 ASP A 40 7.392 -14.992 2.140 1.00 0.00 O ATOM 0 H ASP A 40 7.746 -9.767 1.456 1.00 0.00 H new ATOM 0 HA ASP A 40 9.327 -11.751 1.669 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.844 -13.025 0.480 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.420 -13.628 0.005 1.00 0.00 H new ATOM 607 N GLN A 41 8.644 -9.933 -0.715 1.00 0.00 N ATOM 608 CA GLN A 41 9.043 -9.378 -2.015 1.00 0.00 C ATOM 609 C GLN A 41 9.573 -7.962 -1.840 1.00 0.00 C ATOM 610 O GLN A 41 9.268 -7.304 -0.851 1.00 0.00 O ATOM 611 CB GLN A 41 7.844 -9.364 -2.967 1.00 0.00 C ATOM 612 CG GLN A 41 7.434 -10.799 -3.289 1.00 0.00 C ATOM 613 CD GLN A 41 6.221 -10.807 -4.220 1.00 0.00 C ATOM 614 OE1 GLN A 41 5.755 -9.748 -4.640 1.00 0.00 O ATOM 615 NE2 GLN A 41 5.687 -11.945 -4.571 1.00 0.00 N ATOM 0 H GLN A 41 8.139 -9.285 -0.111 1.00 0.00 H new ATOM 0 HA GLN A 41 9.830 -10.004 -2.436 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.010 -8.830 -2.511 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.100 -8.833 -3.884 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.265 -11.325 -3.758 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.198 -11.333 -2.368 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.076 -12.820 -4.221 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.881 -11.959 -5.195 1.00 0.00 H new ATOM 624 N ASN A 42 10.368 -7.492 -2.798 1.00 0.00 N ATOM 625 CA ASN A 42 10.921 -6.143 -2.717 1.00 0.00 C ATOM 626 C ASN A 42 11.264 -5.609 -4.106 1.00 0.00 C ATOM 627 O ASN A 42 12.434 -5.432 -4.439 1.00 0.00 O ATOM 628 CB ASN A 42 12.178 -6.149 -1.844 1.00 0.00 C ATOM 629 CG ASN A 42 13.125 -7.254 -2.299 1.00 0.00 C ATOM 630 OD1 ASN A 42 12.714 -8.176 -3.006 1.00 0.00 O ATOM 631 ND2 ASN A 42 14.378 -7.217 -1.935 1.00 0.00 N ATOM 0 H ASN A 42 10.641 -8.017 -3.629 1.00 0.00 H new ATOM 0 HA ASN A 42 10.169 -5.491 -2.272 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.678 -5.182 -1.906 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.905 -6.300 -0.800 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.018 -7.952 -2.236 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.717 -6.453 -1.350 1.00 0.00 H new ATOM 638 N PRO A 43 10.273 -5.337 -4.916 1.00 0.00 N ATOM 639 CA PRO A 43 10.482 -4.795 -6.294 1.00 0.00 C ATOM 640 C PRO A 43 11.198 -3.447 -6.256 1.00 0.00 C ATOM 641 O PRO A 43 11.340 -2.850 -5.189 1.00 0.00 O ATOM 642 CB PRO A 43 9.058 -4.660 -6.868 1.00 0.00 C ATOM 643 CG PRO A 43 8.200 -5.529 -6.001 1.00 0.00 C ATOM 644 CD PRO A 43 8.843 -5.518 -4.616 1.00 0.00 C ATOM 0 HA PRO A 43 11.114 -5.441 -6.904 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.720 -3.624 -6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.021 -4.983 -7.908 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.179 -5.150 -5.959 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.147 -6.543 -6.397 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.455 -4.709 -3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.658 -6.448 -4.078 1.00 0.00 H new ATOM 652 N THR A 44 11.632 -2.964 -7.414 1.00 0.00 N ATOM 653 CA THR A 44 12.313 -1.681 -7.477 1.00 0.00 C ATOM 654 C THR A 44 11.289 -0.552 -7.458 1.00 0.00 C ATOM 655 O THR A 44 10.170 -0.714 -7.949 1.00 0.00 O ATOM 656 CB THR A 44 13.141 -1.596 -8.765 1.00 0.00 C ATOM 657 OG1 THR A 44 12.272 -1.678 -9.884 1.00 0.00 O ATOM 658 CG2 THR A 44 14.145 -2.748 -8.815 1.00 0.00 C ATOM 0 H THR A 44 11.525 -3.437 -8.312 1.00 0.00 H new ATOM 0 HA THR A 44 12.973 -1.586 -6.615 1.00 0.00 H new ATOM 0 HB THR A 44 13.682 -0.650 -8.785 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.396 -2.009 -9.594 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.730 -2.681 -9.732 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.812 -2.687 -7.955 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.610 -3.698 -8.794 1.00 0.00 H new ATOM 666 N GLU A 45 11.681 0.586 -6.880 1.00 0.00 N ATOM 667 CA GLU A 45 10.786 1.744 -6.796 1.00 0.00 C ATOM 668 C GLU A 45 9.957 1.855 -8.077 1.00 0.00 C ATOM 669 O GLU A 45 8.784 2.228 -8.040 1.00 0.00 O ATOM 670 CB GLU A 45 11.590 3.031 -6.597 1.00 0.00 C ATOM 671 CG GLU A 45 12.219 3.032 -5.204 1.00 0.00 C ATOM 672 CD GLU A 45 13.095 4.268 -5.030 1.00 0.00 C ATOM 673 OE1 GLU A 45 13.790 4.615 -5.970 1.00 0.00 O ATOM 674 OE2 GLU A 45 13.057 4.851 -3.958 1.00 0.00 O ATOM 0 H GLU A 45 12.602 0.731 -6.467 1.00 0.00 H new ATOM 0 HA GLU A 45 10.123 1.606 -5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.367 3.108 -7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.941 3.899 -6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.439 3.019 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.815 2.130 -5.064 1.00 0.00 H new ATOM 681 N GLU A 46 10.580 1.529 -9.206 1.00 0.00 N ATOM 682 CA GLU A 46 9.900 1.589 -10.495 1.00 0.00 C ATOM 683 C GLU A 46 8.624 0.750 -10.463 1.00 0.00 C ATOM 684 O GLU A 46 7.544 1.241 -10.784 1.00 0.00 O ATOM 685 CB GLU A 46 10.839 1.064 -11.611 1.00 0.00 C ATOM 686 CG GLU A 46 12.301 1.297 -11.219 1.00 0.00 C ATOM 687 CD GLU A 46 12.507 2.748 -10.794 1.00 0.00 C ATOM 688 OE1 GLU A 46 12.033 3.624 -11.498 1.00 0.00 O ATOM 689 OE2 GLU A 46 13.130 2.961 -9.767 1.00 0.00 O ATOM 0 H GLU A 46 11.551 1.222 -9.254 1.00 0.00 H new ATOM 0 HA GLU A 46 9.636 2.626 -10.701 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.663 0.001 -11.775 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.620 1.572 -12.550 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.578 0.629 -10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.953 1.061 -12.060 1.00 0.00 H new ATOM 696 N GLU A 47 8.756 -0.512 -10.072 1.00 0.00 N ATOM 697 CA GLU A 47 7.595 -1.398 -10.012 1.00 0.00 C ATOM 698 C GLU A 47 6.577 -0.845 -9.022 1.00 0.00 C ATOM 699 O GLU A 47 5.373 -0.848 -9.287 1.00 0.00 O ATOM 700 CB GLU A 47 8.031 -2.828 -9.618 1.00 0.00 C ATOM 701 CG GLU A 47 8.389 -3.647 -10.871 1.00 0.00 C ATOM 702 CD GLU A 47 9.685 -3.134 -11.484 1.00 0.00 C ATOM 703 OE1 GLU A 47 10.230 -2.180 -10.957 1.00 0.00 O ATOM 704 OE2 GLU A 47 10.129 -3.722 -12.458 1.00 0.00 O ATOM 0 H GLU A 47 9.639 -0.942 -9.796 1.00 0.00 H new ATOM 0 HA GLU A 47 7.130 -1.448 -10.996 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.890 -2.781 -8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.228 -3.322 -9.071 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.495 -4.700 -10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.582 -3.580 -11.601 1.00 0.00 H new ATOM 711 N LEU A 48 7.061 -0.358 -7.894 1.00 0.00 N ATOM 712 CA LEU A 48 6.173 0.204 -6.888 1.00 0.00 C ATOM 713 C LEU A 48 5.421 1.392 -7.474 1.00 0.00 C ATOM 714 O LEU A 48 4.220 1.546 -7.256 1.00 0.00 O ATOM 715 CB LEU A 48 6.998 0.637 -5.663 1.00 0.00 C ATOM 716 CG LEU A 48 7.117 -0.519 -4.666 1.00 0.00 C ATOM 717 CD1 LEU A 48 7.778 -1.714 -5.349 1.00 0.00 C ATOM 718 CD2 LEU A 48 7.970 -0.076 -3.476 1.00 0.00 C ATOM 0 H LEU A 48 8.052 -0.339 -7.651 1.00 0.00 H new ATOM 0 HA LEU A 48 5.447 -0.547 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.991 0.957 -5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.525 1.494 -5.182 1.00 0.00 H new ATOM 0 HG LEU A 48 6.124 -0.804 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.863 -2.537 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.172 -2.028 -6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.771 -1.431 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.056 -0.897 -2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.963 0.207 -3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.499 0.778 -2.989 1.00 0.00 H new ATOM 730 N GLN A 49 6.126 2.224 -8.227 1.00 0.00 N ATOM 731 CA GLN A 49 5.494 3.382 -8.844 1.00 0.00 C ATOM 732 C GLN A 49 4.511 2.937 -9.923 1.00 0.00 C ATOM 733 O GLN A 49 3.411 3.477 -10.030 1.00 0.00 O ATOM 734 CB GLN A 49 6.561 4.298 -9.449 1.00 0.00 C ATOM 735 CG GLN A 49 5.929 5.643 -9.824 1.00 0.00 C ATOM 736 CD GLN A 49 5.699 6.477 -8.567 1.00 0.00 C ATOM 737 OE1 GLN A 49 4.723 6.266 -7.847 1.00 0.00 O ATOM 738 NE2 GLN A 49 6.550 7.418 -8.257 1.00 0.00 N ATOM 0 H GLN A 49 7.122 2.122 -8.424 1.00 0.00 H new ATOM 0 HA GLN A 49 4.946 3.932 -8.079 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.371 4.451 -8.735 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.998 3.831 -10.332 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.580 6.181 -10.514 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.983 5.479 -10.340 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.358 7.592 -8.854 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.406 7.979 -7.417 1.00 0.00 H new ATOM 747 N ASP A 50 4.914 1.953 -10.728 1.00 0.00 N ATOM 748 CA ASP A 50 4.051 1.455 -11.796 1.00 0.00 C ATOM 749 C ASP A 50 2.780 0.836 -11.224 1.00 0.00 C ATOM 750 O ASP A 50 1.689 1.028 -11.762 1.00 0.00 O ATOM 751 CB ASP A 50 4.796 0.413 -12.634 1.00 0.00 C ATOM 752 CG ASP A 50 3.974 0.053 -13.868 1.00 0.00 C ATOM 753 OD1 ASP A 50 2.782 0.311 -13.857 1.00 0.00 O ATOM 754 OD2 ASP A 50 4.547 -0.476 -14.806 1.00 0.00 O ATOM 0 H ASP A 50 5.821 1.491 -10.662 1.00 0.00 H new ATOM 0 HA ASP A 50 3.775 2.299 -12.428 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.768 0.804 -12.935 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.982 -0.480 -12.038 1.00 0.00 H new ATOM 759 N MET A 51 2.923 0.113 -10.116 1.00 0.00 N ATOM 760 CA MET A 51 1.763 -0.497 -9.475 1.00 0.00 C ATOM 761 C MET A 51 0.878 0.578 -8.855 1.00 0.00 C ATOM 762 O MET A 51 -0.344 0.547 -9.000 1.00 0.00 O ATOM 763 CB MET A 51 2.196 -1.501 -8.403 1.00 0.00 C ATOM 764 CG MET A 51 2.696 -2.784 -9.073 1.00 0.00 C ATOM 765 SD MET A 51 3.079 -4.018 -7.799 1.00 0.00 S ATOM 766 CE MET A 51 4.876 -4.038 -7.999 1.00 0.00 C ATOM 0 H MET A 51 3.814 -0.062 -9.651 1.00 0.00 H new ATOM 0 HA MET A 51 1.195 -1.031 -10.237 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.984 -1.071 -7.785 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.359 -1.726 -7.742 1.00 0.00 H new ATOM 0 HG2 MET A 51 1.938 -3.171 -9.754 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.583 -2.574 -9.670 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.303 -4.821 -7.372 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.124 -4.233 -9.042 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.286 -3.072 -7.704 1.00 0.00 H new ATOM 776 N ILE A 52 1.503 1.541 -8.177 1.00 0.00 N ATOM 777 CA ILE A 52 0.756 2.631 -7.565 1.00 0.00 C ATOM 778 C ILE A 52 0.114 3.491 -8.643 1.00 0.00 C ATOM 779 O ILE A 52 -1.052 3.858 -8.544 1.00 0.00 O ATOM 780 CB ILE A 52 1.681 3.480 -6.686 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.099 2.664 -5.464 1.00 0.00 C ATOM 782 CG2 ILE A 52 0.942 4.739 -6.219 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.267 3.360 -4.764 1.00 0.00 C ATOM 0 H ILE A 52 2.513 1.586 -8.041 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.030 2.211 -6.937 1.00 0.00 H new ATOM 0 HB ILE A 52 2.561 3.769 -7.261 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.259 2.560 -4.777 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.389 1.658 -5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.604 5.339 -5.595 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.634 5.323 -7.086 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.062 4.452 -5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.567 2.779 -3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.108 3.441 -5.453 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.960 4.357 -4.448 1.00 0.00 H new ATOM 795 N SER A 53 0.883 3.799 -9.681 1.00 0.00 N ATOM 796 CA SER A 53 0.367 4.610 -10.775 1.00 0.00 C ATOM 797 C SER A 53 -0.799 3.897 -11.450 1.00 0.00 C ATOM 798 O SER A 53 -1.738 4.534 -11.928 1.00 0.00 O ATOM 799 CB SER A 53 1.469 4.881 -11.798 1.00 0.00 C ATOM 800 OG SER A 53 1.891 3.651 -12.370 1.00 0.00 O ATOM 0 H SER A 53 1.853 3.504 -9.787 1.00 0.00 H new ATOM 0 HA SER A 53 0.019 5.560 -10.370 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.102 5.550 -12.576 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.311 5.380 -11.319 1.00 0.00 H new ATOM 0 HG SER A 53 1.625 2.910 -11.786 1.00 0.00 H new ATOM 806 N GLU A 54 -0.724 2.572 -11.496 1.00 0.00 N ATOM 807 CA GLU A 54 -1.773 1.777 -12.125 1.00 0.00 C ATOM 808 C GLU A 54 -3.120 2.016 -11.440 1.00 0.00 C ATOM 809 O GLU A 54 -4.163 1.978 -12.091 1.00 0.00 O ATOM 810 CB GLU A 54 -1.413 0.288 -12.062 1.00 0.00 C ATOM 811 CG GLU A 54 -2.472 -0.528 -12.812 1.00 0.00 C ATOM 812 CD GLU A 54 -2.080 -2.001 -12.834 1.00 0.00 C ATOM 813 OE1 GLU A 54 -0.922 -2.290 -12.580 1.00 0.00 O ATOM 814 OE2 GLU A 54 -2.942 -2.820 -13.111 1.00 0.00 O ATOM 0 H GLU A 54 0.047 2.028 -11.108 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.856 2.083 -13.168 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.431 0.122 -12.504 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.355 -0.039 -11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.442 -0.409 -12.330 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.575 -0.156 -13.831 1.00 0.00 H new ATOM 821 N VAL A 55 -3.099 2.253 -10.123 1.00 0.00 N ATOM 822 CA VAL A 55 -4.339 2.490 -9.367 1.00 0.00 C ATOM 823 C VAL A 55 -4.453 3.937 -8.909 1.00 0.00 C ATOM 824 O VAL A 55 -5.558 4.467 -8.796 1.00 0.00 O ATOM 825 CB VAL A 55 -4.388 1.574 -8.149 1.00 0.00 C ATOM 826 CG1 VAL A 55 -3.237 1.907 -7.200 1.00 0.00 C ATOM 827 CG2 VAL A 55 -5.723 1.764 -7.423 1.00 0.00 C ATOM 0 H VAL A 55 -2.248 2.286 -9.562 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.175 2.275 -10.033 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.293 0.538 -8.474 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.279 1.249 -6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.287 1.767 -7.717 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.323 2.943 -6.873 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.760 1.110 -6.552 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.818 2.801 -7.102 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.543 1.516 -8.098 1.00 0.00 H new ATOM 837 N ASP A 56 -3.324 4.580 -8.639 1.00 0.00 N ATOM 838 CA ASP A 56 -3.367 5.966 -8.196 1.00 0.00 C ATOM 839 C ASP A 56 -3.928 6.821 -9.317 1.00 0.00 C ATOM 840 O ASP A 56 -3.192 7.509 -10.026 1.00 0.00 O ATOM 841 CB ASP A 56 -1.970 6.453 -7.807 1.00 0.00 C ATOM 842 CG ASP A 56 -2.063 7.756 -7.017 1.00 0.00 C ATOM 843 OD1 ASP A 56 -3.166 8.248 -6.843 1.00 0.00 O ATOM 844 OD2 ASP A 56 -1.030 8.238 -6.586 1.00 0.00 O ATOM 0 H ASP A 56 -2.390 4.177 -8.716 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.006 6.044 -7.316 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.466 5.693 -7.210 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.368 6.605 -8.703 1.00 0.00 H new ATOM 849 N ALA A 57 -5.245 6.758 -9.470 1.00 0.00 N ATOM 850 CA ALA A 57 -5.924 7.516 -10.514 1.00 0.00 C ATOM 851 C ALA A 57 -5.595 8.997 -10.389 1.00 0.00 C ATOM 852 O ALA A 57 -5.694 9.748 -11.360 1.00 0.00 O ATOM 853 CB ALA A 57 -7.441 7.323 -10.415 1.00 0.00 C ATOM 0 H ALA A 57 -5.862 6.192 -8.887 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.579 7.150 -11.481 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.933 7.896 -11.201 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.682 6.266 -10.531 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.789 7.670 -9.442 1.00 0.00 H new ATOM 859 N ASP A 58 -5.215 9.417 -9.182 1.00 0.00 N ATOM 860 CA ASP A 58 -4.881 10.820 -8.932 1.00 0.00 C ATOM 861 C ASP A 58 -3.371 11.059 -8.992 1.00 0.00 C ATOM 862 O ASP A 58 -2.929 12.186 -9.217 1.00 0.00 O ATOM 863 CB ASP A 58 -5.406 11.225 -7.556 1.00 0.00 C ATOM 864 CG ASP A 58 -4.892 10.252 -6.503 1.00 0.00 C ATOM 865 OD1 ASP A 58 -3.816 10.490 -5.986 1.00 0.00 O ATOM 866 OD2 ASP A 58 -5.582 9.283 -6.230 1.00 0.00 O ATOM 0 H ASP A 58 -5.131 8.810 -8.366 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.348 11.425 -9.709 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.083 12.238 -7.317 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.496 11.230 -7.559 1.00 0.00 H new ATOM 871 N GLY A 59 -2.584 10.005 -8.789 1.00 0.00 N ATOM 872 CA GLY A 59 -1.129 10.140 -8.829 1.00 0.00 C ATOM 873 C GLY A 59 -0.622 11.030 -7.693 1.00 0.00 C ATOM 874 O GLY A 59 0.199 11.920 -7.915 1.00 0.00 O ATOM 0 H GLY A 59 -2.922 9.062 -8.598 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.668 9.155 -8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.827 10.563 -9.787 1.00 0.00 H new ATOM 878 N ASN A 60 -1.120 10.793 -6.478 1.00 0.00 N ATOM 879 CA ASN A 60 -0.705 11.594 -5.321 1.00 0.00 C ATOM 880 C ASN A 60 0.525 11.001 -4.638 1.00 0.00 C ATOM 881 O ASN A 60 1.192 11.684 -3.859 1.00 0.00 O ATOM 882 CB ASN A 60 -1.842 11.682 -4.302 1.00 0.00 C ATOM 883 CG ASN A 60 -2.282 10.281 -3.899 1.00 0.00 C ATOM 884 OD1 ASN A 60 -1.721 9.251 -4.462 1.00 0.00 O flip ATOM 885 ND2 ASN A 60 -3.161 10.124 -3.052 1.00 0.00 N flip ATOM 0 H ASN A 60 -1.802 10.064 -6.269 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.455 12.589 -5.690 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.513 12.237 -3.423 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.683 12.229 -4.728 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.598 10.935 -2.614 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.453 9.183 -2.788 1.00 0.00 H new ATOM 892 N GLY A 61 0.827 9.733 -4.917 1.00 0.00 N ATOM 893 CA GLY A 61 1.983 9.073 -4.298 1.00 0.00 C ATOM 894 C GLY A 61 1.559 8.278 -3.063 1.00 0.00 C ATOM 895 O GLY A 61 2.396 7.805 -2.295 1.00 0.00 O ATOM 0 H GLY A 61 0.296 9.145 -5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.456 8.407 -5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.726 9.819 -4.018 1.00 0.00 H new ATOM 899 N THR A 62 0.248 8.133 -2.892 1.00 0.00 N ATOM 900 CA THR A 62 -0.318 7.390 -1.764 1.00 0.00 C ATOM 901 C THR A 62 -1.506 6.551 -2.235 1.00 0.00 C ATOM 902 O THR A 62 -2.111 6.836 -3.274 1.00 0.00 O ATOM 903 CB THR A 62 -0.781 8.362 -0.675 1.00 0.00 C ATOM 904 OG1 THR A 62 -1.910 9.089 -1.137 1.00 0.00 O ATOM 905 CG2 THR A 62 0.350 9.334 -0.338 1.00 0.00 C ATOM 0 H THR A 62 -0.450 8.523 -3.525 1.00 0.00 H new ATOM 0 HA THR A 62 0.450 6.732 -1.357 1.00 0.00 H new ATOM 0 HB THR A 62 -1.052 7.800 0.219 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.207 9.710 -0.440 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.018 10.024 0.437 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.215 8.776 0.020 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.625 9.896 -1.231 1.00 0.00 H new ATOM 913 N ILE A 63 -1.849 5.525 -1.455 1.00 0.00 N ATOM 914 CA ILE A 63 -2.977 4.648 -1.782 1.00 0.00 C ATOM 915 C ILE A 63 -4.079 4.814 -0.740 1.00 0.00 C ATOM 916 O ILE A 63 -3.826 4.723 0.463 1.00 0.00 O ATOM 917 CB ILE A 63 -2.523 3.182 -1.811 1.00 0.00 C ATOM 918 CG1 ILE A 63 -1.221 3.056 -2.608 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.600 2.325 -2.477 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.733 1.608 -2.555 1.00 0.00 C ATOM 0 H ILE A 63 -1.363 5.280 -0.592 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.357 4.923 -2.766 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.359 2.841 -0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.384 3.359 -3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.463 3.722 -2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.276 1.284 -2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.529 2.405 -1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.763 2.674 -3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.194 1.515 -3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.555 1.322 -1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.490 0.953 -2.987 1.00 0.00 H new ATOM 932 N GLU A 64 -5.305 5.066 -1.207 1.00 0.00 N ATOM 933 CA GLU A 64 -6.448 5.247 -0.308 1.00 0.00 C ATOM 934 C GLU A 64 -7.238 3.946 -0.184 1.00 0.00 C ATOM 935 O GLU A 64 -6.966 2.978 -0.894 1.00 0.00 O ATOM 936 CB GLU A 64 -7.355 6.362 -0.832 1.00 0.00 C ATOM 937 CG GLU A 64 -6.628 7.706 -0.714 1.00 0.00 C ATOM 938 CD GLU A 64 -7.497 8.823 -1.279 1.00 0.00 C ATOM 939 OE1 GLU A 64 -8.572 8.520 -1.769 1.00 0.00 O ATOM 940 OE2 GLU A 64 -7.075 9.967 -1.215 1.00 0.00 O ATOM 0 H GLU A 64 -5.531 5.149 -2.198 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.076 5.525 0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.622 6.170 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.285 6.387 -0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.393 7.911 0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.681 7.664 -1.252 1.00 0.00 H new ATOM 947 N PHE A 65 -8.204 3.922 0.730 1.00 0.00 N ATOM 948 CA PHE A 65 -9.001 2.717 0.939 1.00 0.00 C ATOM 949 C PHE A 65 -9.652 2.263 -0.364 1.00 0.00 C ATOM 950 O PHE A 65 -9.522 1.102 -0.752 1.00 0.00 O ATOM 951 CB PHE A 65 -10.086 2.975 1.995 1.00 0.00 C ATOM 952 CG PHE A 65 -11.050 1.806 2.045 1.00 0.00 C ATOM 953 CD1 PHE A 65 -10.734 0.662 2.790 1.00 0.00 C ATOM 954 CD2 PHE A 65 -12.258 1.869 1.338 1.00 0.00 C ATOM 955 CE1 PHE A 65 -11.630 -0.419 2.828 1.00 0.00 C ATOM 956 CE2 PHE A 65 -13.150 0.789 1.377 1.00 0.00 C ATOM 957 CZ PHE A 65 -12.835 -0.353 2.122 1.00 0.00 C ATOM 0 H PHE A 65 -8.451 4.710 1.329 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.336 1.928 1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.626 3.120 2.973 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.625 3.892 1.757 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.803 0.612 3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.502 2.750 0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.388 -1.301 3.402 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -14.081 0.838 0.832 1.00 0.00 H new ATOM 0 HZ PHE A 65 -13.524 -1.184 2.152 1.00 0.00 H new ATOM 967 N ASP A 66 -10.358 3.166 -1.037 1.00 0.00 N ATOM 968 CA ASP A 66 -11.026 2.809 -2.284 1.00 0.00 C ATOM 969 C ASP A 66 -9.998 2.327 -3.298 1.00 0.00 C ATOM 970 O ASP A 66 -10.226 1.349 -4.010 1.00 0.00 O ATOM 971 CB ASP A 66 -11.777 4.031 -2.838 1.00 0.00 C ATOM 972 CG ASP A 66 -13.120 4.215 -2.129 1.00 0.00 C ATOM 973 OD1 ASP A 66 -13.530 3.310 -1.420 1.00 0.00 O ATOM 974 OD2 ASP A 66 -13.719 5.264 -2.306 1.00 0.00 O ATOM 0 H ASP A 66 -10.482 4.136 -0.746 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.740 2.008 -2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.168 4.926 -2.710 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.940 3.908 -3.909 1.00 0.00 H new ATOM 979 N GLU A 67 -8.863 3.008 -3.348 1.00 0.00 N ATOM 980 CA GLU A 67 -7.806 2.622 -4.270 1.00 0.00 C ATOM 981 C GLU A 67 -7.252 1.255 -3.886 1.00 0.00 C ATOM 982 O GLU A 67 -7.055 0.390 -4.739 1.00 0.00 O ATOM 983 CB GLU A 67 -6.692 3.665 -4.247 1.00 0.00 C ATOM 984 CG GLU A 67 -7.191 4.954 -4.904 1.00 0.00 C ATOM 985 CD GLU A 67 -6.111 6.023 -4.821 1.00 0.00 C ATOM 986 OE1 GLU A 67 -5.032 5.707 -4.350 1.00 0.00 O ATOM 987 OE2 GLU A 67 -6.379 7.142 -5.231 1.00 0.00 O ATOM 0 H GLU A 67 -8.652 3.821 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.216 2.564 -5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.384 3.862 -3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.816 3.290 -4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.451 4.766 -5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.097 5.300 -4.407 1.00 0.00 H new ATOM 994 N PHE A 68 -7.010 1.070 -2.593 1.00 0.00 N ATOM 995 CA PHE A 68 -6.488 -0.194 -2.095 1.00 0.00 C ATOM 996 C PHE A 68 -7.452 -1.326 -2.404 1.00 0.00 C ATOM 997 O PHE A 68 -7.036 -2.410 -2.805 1.00 0.00 O ATOM 998 CB PHE A 68 -6.251 -0.122 -0.587 1.00 0.00 C ATOM 999 CG PHE A 68 -5.716 -1.453 -0.097 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -4.427 -1.864 -0.461 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -6.503 -2.270 0.729 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.926 -3.090 0.000 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -6.001 -3.492 1.186 1.00 0.00 C ATOM 1004 CZ PHE A 68 -4.714 -3.902 0.822 1.00 0.00 C ATOM 0 H PHE A 68 -7.167 1.777 -1.875 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.539 -0.387 -2.595 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.543 0.674 -0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.181 0.120 -0.073 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.819 -1.237 -1.096 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.497 -1.955 1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.932 -3.407 -0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.608 -4.121 1.821 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.328 -4.847 1.176 1.00 0.00 H new ATOM 1014 N LEU A 69 -8.744 -1.076 -2.214 1.00 0.00 N ATOM 1015 CA LEU A 69 -9.749 -2.092 -2.479 1.00 0.00 C ATOM 1016 C LEU A 69 -9.777 -2.462 -3.957 1.00 0.00 C ATOM 1017 O LEU A 69 -9.866 -3.640 -4.305 1.00 0.00 O ATOM 1018 CB LEU A 69 -11.123 -1.574 -2.042 1.00 0.00 C ATOM 1019 CG LEU A 69 -12.220 -2.662 -2.263 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -13.062 -2.841 -0.990 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -13.153 -2.250 -3.404 1.00 0.00 C ATOM 0 H LEU A 69 -9.114 -0.186 -1.880 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.497 -2.988 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.092 -1.290 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.375 -0.677 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.719 -3.598 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.822 -3.603 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.417 -3.150 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.545 -1.897 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.913 -3.018 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.635 -1.304 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.576 -2.134 -4.322 1.00 0.00 H new ATOM 1033 N SER A 70 -9.682 -1.455 -4.822 1.00 0.00 N ATOM 1034 CA SER A 70 -9.681 -1.702 -6.256 1.00 0.00 C ATOM 1035 C SER A 70 -8.464 -2.533 -6.647 1.00 0.00 C ATOM 1036 O SER A 70 -8.576 -3.495 -7.408 1.00 0.00 O ATOM 1037 CB SER A 70 -9.669 -0.376 -7.016 1.00 0.00 C ATOM 1038 OG SER A 70 -10.864 0.339 -6.731 1.00 0.00 O ATOM 0 H SER A 70 -9.606 -0.473 -4.557 1.00 0.00 H new ATOM 0 HA SER A 70 -10.584 -2.254 -6.516 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.800 0.215 -6.726 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.587 -0.558 -8.088 1.00 0.00 H new ATOM 0 HG SER A 70 -10.801 0.739 -5.838 1.00 0.00 H new ATOM 1044 N LEU A 71 -7.295 -2.150 -6.130 1.00 0.00 N ATOM 1045 CA LEU A 71 -6.059 -2.863 -6.439 1.00 0.00 C ATOM 1046 C LEU A 71 -6.127 -4.297 -5.929 1.00 0.00 C ATOM 1047 O LEU A 71 -5.685 -5.235 -6.601 1.00 0.00 O ATOM 1048 CB LEU A 71 -4.868 -2.146 -5.794 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.546 -2.820 -6.202 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -3.344 -2.735 -7.727 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -2.384 -2.114 -5.496 1.00 0.00 C ATOM 0 H LEU A 71 -7.181 -1.356 -5.500 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.931 -2.880 -7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.858 -1.099 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.971 -2.162 -4.709 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.580 -3.870 -5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.404 -3.217 -7.997 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.168 -3.239 -8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.316 -1.689 -8.033 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.444 -2.587 -5.781 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.365 -1.064 -5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.515 -2.188 -4.416 1.00 0.00 H new ATOM 1063 N MET A 72 -6.692 -4.465 -4.740 1.00 0.00 N ATOM 1064 CA MET A 72 -6.814 -5.795 -4.155 1.00 0.00 C ATOM 1065 C MET A 72 -7.634 -6.692 -5.085 1.00 0.00 C ATOM 1066 O MET A 72 -7.279 -7.850 -5.310 1.00 0.00 O ATOM 1067 CB MET A 72 -7.503 -5.712 -2.780 1.00 0.00 C ATOM 1068 CG MET A 72 -6.503 -5.259 -1.718 1.00 0.00 C ATOM 1069 SD MET A 72 -5.295 -6.572 -1.415 1.00 0.00 S ATOM 1070 CE MET A 72 -6.263 -7.509 -0.202 1.00 0.00 C ATOM 0 H MET A 72 -7.068 -3.709 -4.168 1.00 0.00 H new ATOM 0 HA MET A 72 -5.817 -6.216 -4.026 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.339 -5.014 -2.825 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.915 -6.685 -2.512 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.994 -4.353 -2.047 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.026 -5.013 -0.794 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.654 -8.317 0.203 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.572 -6.847 0.607 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.146 -7.927 -0.686 1.00 0.00 H new ATOM 1080 N ALA A 73 -8.720 -6.151 -5.633 1.00 0.00 N ATOM 1081 CA ALA A 73 -9.559 -6.923 -6.543 1.00 0.00 C ATOM 1082 C ALA A 73 -8.780 -7.285 -7.805 1.00 0.00 C ATOM 1083 O ALA A 73 -8.740 -8.444 -8.211 1.00 0.00 O ATOM 1084 CB ALA A 73 -10.802 -6.117 -6.924 1.00 0.00 C ATOM 0 H ALA A 73 -9.035 -5.196 -5.466 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.864 -7.839 -6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.421 -6.703 -7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.372 -5.881 -6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.499 -5.192 -7.415 1.00 0.00 H new