USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 471 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: A2651 ASN : amide:sc= -3.16 K(o=-12,f=-19!) USER MOD Set 1.2: A2654 ASN : amide:sc= -8.62! C(o=-12!,f=-15!) USER MOD Single : A2639 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2640 THR OG1 : rot -46:sc= 0.416 USER MOD Single : A2642 THR OG1 : rot 180:sc=-0.00732 USER MOD Single : A2652 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2656 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2657 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2658 MET CE :methyl -133:sc= -0.806 (180deg=-2.68!) USER MOD Single : A2666 MET CE :methyl 154:sc= -10.4! (180deg=-13.3!) USER MOD Single : A2667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2676 ASN : amide:sc= -0.934 X(o=-0.93,f=-1.1) USER MOD Single : A2686 THR OG1 : rot 180:sc= 0 USER MOD Single : A2690 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2691 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.1) USER MOD Single : A2692 SER OG : rot -89:sc= 0.921 USER MOD Single : A2698 SER OG : rot 180:sc= 0 USER MOD Single : A2699 MET CE :methyl -167:sc= -1.61 (180deg=-2.03) USER MOD ----------------------------------------------------------------- ATOM 140 N ILE A2638 11.319 -5.229 2.643 1.00 0.00 N ATOM 141 CA ILE A2638 10.984 -3.818 2.666 1.00 0.00 C ATOM 142 C ILE A2638 12.040 -2.952 1.987 1.00 0.00 C ATOM 143 O ILE A2638 11.792 -1.786 1.712 1.00 0.00 O ATOM 144 CB ILE A2638 10.770 -3.327 4.109 1.00 0.00 C ATOM 145 CG1 ILE A2638 12.063 -3.441 4.920 1.00 0.00 C ATOM 146 CG2 ILE A2638 9.653 -4.117 4.775 1.00 0.00 C ATOM 147 CD1 ILE A2638 12.160 -2.423 6.036 1.00 0.00 C ATOM 0 HA ILE A2638 10.056 -3.716 2.103 1.00 0.00 H new ATOM 0 HB ILE A2638 10.482 -2.276 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A2638 12.131 -4.443 5.344 1.00 0.00 H new ATOM 0 HG13 ILE A2638 12.915 -3.320 4.251 1.00 0.00 H new ATOM 0 HG21 ILE A2638 9.512 -3.759 5.795 1.00 0.00 H new ATOM 0 HG22 ILE A2638 8.728 -3.984 4.213 1.00 0.00 H new ATOM 0 HG23 ILE A2638 9.917 -5.174 4.795 1.00 0.00 H new ATOM 0 HD11 ILE A2638 13.100 -2.558 6.571 1.00 0.00 H new ATOM 0 HD12 ILE A2638 12.123 -1.418 5.616 1.00 0.00 H new ATOM 0 HD13 ILE A2638 11.327 -2.559 6.726 1.00 0.00 H new ATOM 159 N ASN A2639 13.226 -3.495 1.740 1.00 0.00 N ATOM 160 CA ASN A2639 14.287 -2.713 1.111 1.00 0.00 C ATOM 161 C ASN A2639 14.004 -2.457 -0.371 1.00 0.00 C ATOM 162 O ASN A2639 14.509 -1.492 -0.945 1.00 0.00 O ATOM 163 CB ASN A2639 15.630 -3.430 1.263 1.00 0.00 C ATOM 164 CG ASN A2639 16.175 -3.347 2.675 1.00 0.00 C ATOM 165 OD1 ASN A2639 16.920 -2.426 3.013 1.00 0.00 O ATOM 166 ND2 ASN A2639 15.804 -4.310 3.509 1.00 0.00 N ATOM 0 H ASN A2639 13.477 -4.459 1.961 1.00 0.00 H new ATOM 0 HA ASN A2639 14.326 -1.748 1.616 1.00 0.00 H new ATOM 0 HB2 ASN A2639 15.513 -4.477 0.983 1.00 0.00 H new ATOM 0 HB3 ASN A2639 16.351 -2.994 0.572 1.00 0.00 H new ATOM 0 HD21 ASN A2639 16.138 -4.306 4.473 1.00 0.00 H new ATOM 0 HD22 ASN A2639 15.185 -5.054 3.186 1.00 0.00 H new ATOM 173 N THR A2640 13.225 -3.338 -0.998 1.00 0.00 N ATOM 174 CA THR A2640 12.920 -3.206 -2.426 1.00 0.00 C ATOM 175 C THR A2640 11.962 -2.043 -2.727 1.00 0.00 C ATOM 176 O THR A2640 11.373 -1.967 -3.817 1.00 0.00 O ATOM 177 CB THR A2640 12.370 -4.522 -2.981 1.00 0.00 C ATOM 178 OG1 THR A2640 12.396 -4.519 -4.397 1.00 0.00 O ATOM 179 CG2 THR A2640 10.953 -4.814 -2.553 1.00 0.00 C ATOM 0 H THR A2640 12.796 -4.145 -0.546 1.00 0.00 H new ATOM 0 HA THR A2640 13.858 -2.972 -2.929 1.00 0.00 H new ATOM 0 HB THR A2640 13.020 -5.296 -2.572 1.00 0.00 H new ATOM 0 HG1 THR A2640 12.045 -3.666 -4.729 1.00 0.00 H new ATOM 0 HG21 THR A2640 10.631 -5.762 -2.984 1.00 0.00 H new ATOM 0 HG22 THR A2640 10.907 -4.876 -1.466 1.00 0.00 H new ATOM 0 HG23 THR A2640 10.296 -4.016 -2.900 1.00 0.00 H new ATOM 187 N LEU A2641 11.814 -1.118 -1.785 1.00 0.00 N ATOM 188 CA LEU A2641 10.963 0.026 -2.013 1.00 0.00 C ATOM 189 C LEU A2641 11.629 0.918 -3.055 1.00 0.00 C ATOM 190 O LEU A2641 12.051 0.430 -4.103 1.00 0.00 O ATOM 191 CB LEU A2641 10.723 0.785 -0.705 1.00 0.00 C ATOM 192 CG LEU A2641 10.221 -0.063 0.456 1.00 0.00 C ATOM 193 CD1 LEU A2641 10.516 0.622 1.783 1.00 0.00 C ATOM 194 CD2 LEU A2641 8.736 -0.336 0.316 1.00 0.00 C ATOM 0 H LEU A2641 12.268 -1.143 -0.872 1.00 0.00 H new ATOM 0 HA LEU A2641 9.989 -0.297 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A2641 11.655 1.265 -0.406 1.00 0.00 H new ATOM 0 HB3 LEU A2641 10.001 1.579 -0.892 1.00 0.00 H new ATOM 0 HG LEU A2641 10.747 -1.017 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A2641 10.150 0.002 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A2641 11.592 0.764 1.888 1.00 0.00 H new ATOM 0 HD13 LEU A2641 10.017 1.591 1.811 1.00 0.00 H new ATOM 0 HD21 LEU A2641 8.397 -0.943 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A2641 8.192 0.608 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A2641 8.550 -0.870 -0.616 1.00 0.00 H new ATOM 206 N THR A2642 11.716 2.217 -2.790 1.00 0.00 N ATOM 207 CA THR A2642 12.326 3.138 -3.737 1.00 0.00 C ATOM 208 C THR A2642 11.399 3.354 -4.927 1.00 0.00 C ATOM 209 O THR A2642 11.781 3.974 -5.920 1.00 0.00 O ATOM 210 CB THR A2642 13.681 2.612 -4.218 1.00 0.00 C ATOM 211 OG1 THR A2642 14.431 2.091 -3.134 1.00 0.00 O ATOM 212 CG2 THR A2642 14.524 3.668 -4.892 1.00 0.00 C ATOM 0 H THR A2642 11.374 2.652 -1.933 1.00 0.00 H new ATOM 0 HA THR A2642 12.488 4.089 -3.231 1.00 0.00 H new ATOM 0 HB THR A2642 13.448 1.835 -4.946 1.00 0.00 H new ATOM 0 HG1 THR A2642 15.292 1.758 -3.462 1.00 0.00 H new ATOM 0 HG21 THR A2642 15.471 3.230 -5.209 1.00 0.00 H new ATOM 0 HG22 THR A2642 13.994 4.056 -5.762 1.00 0.00 H new ATOM 0 HG23 THR A2642 14.717 4.481 -4.192 1.00 0.00 H new ATOM 220 N GLY A2643 10.172 2.840 -4.821 1.00 0.00 N ATOM 221 CA GLY A2643 9.214 2.990 -5.890 1.00 0.00 C ATOM 222 C GLY A2643 8.870 1.667 -6.543 1.00 0.00 C ATOM 223 O GLY A2643 7.791 1.522 -7.122 1.00 0.00 O ATOM 0 H GLY A2643 9.832 2.323 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY A2643 8.305 3.447 -5.499 1.00 0.00 H new ATOM 0 HA3 GLY A2643 9.615 3.670 -6.641 1.00 0.00 H new ATOM 227 N GLU A2644 9.808 0.718 -6.462 1.00 0.00 N ATOM 228 CA GLU A2644 9.652 -0.605 -7.067 1.00 0.00 C ATOM 229 C GLU A2644 8.721 -1.536 -6.286 1.00 0.00 C ATOM 230 O GLU A2644 7.940 -2.268 -6.895 1.00 0.00 O ATOM 231 CB GLU A2644 11.023 -1.266 -7.226 1.00 0.00 C ATOM 232 CG GLU A2644 11.654 -1.034 -8.589 1.00 0.00 C ATOM 233 CD GLU A2644 11.508 -2.230 -9.511 1.00 0.00 C ATOM 234 OE1 GLU A2644 12.460 -3.033 -9.599 1.00 0.00 O ATOM 235 OE2 GLU A2644 10.439 -2.363 -10.144 1.00 0.00 O ATOM 0 H GLU A2644 10.695 0.847 -5.975 1.00 0.00 H new ATOM 0 HA GLU A2644 9.185 -0.444 -8.038 1.00 0.00 H new ATOM 0 HB2 GLU A2644 11.693 -0.885 -6.455 1.00 0.00 H new ATOM 0 HB3 GLU A2644 10.922 -2.338 -7.059 1.00 0.00 H new ATOM 0 HG2 GLU A2644 11.194 -0.163 -9.055 1.00 0.00 H new ATOM 0 HG3 GLU A2644 12.712 -0.805 -8.461 1.00 0.00 H new ATOM 242 N GLU A2645 8.787 -1.529 -4.950 1.00 0.00 N ATOM 243 CA GLU A2645 7.920 -2.401 -4.143 1.00 0.00 C ATOM 244 C GLU A2645 6.468 -2.424 -4.630 1.00 0.00 C ATOM 245 O GLU A2645 5.920 -1.405 -5.050 1.00 0.00 O ATOM 246 CB GLU A2645 7.930 -1.955 -2.677 1.00 0.00 C ATOM 247 CG GLU A2645 8.746 -2.854 -1.767 1.00 0.00 C ATOM 248 CD GLU A2645 8.255 -4.291 -1.767 1.00 0.00 C ATOM 249 OE1 GLU A2645 7.373 -4.620 -2.586 1.00 0.00 O ATOM 250 OE2 GLU A2645 8.754 -5.087 -0.944 1.00 0.00 O ATOM 0 H GLU A2645 9.420 -0.940 -4.410 1.00 0.00 H new ATOM 0 HA GLU A2645 8.327 -3.407 -4.247 1.00 0.00 H new ATOM 0 HB2 GLU A2645 8.325 -0.941 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A2645 6.904 -1.919 -2.311 1.00 0.00 H new ATOM 0 HG2 GLU A2645 9.789 -2.831 -2.082 1.00 0.00 H new ATOM 0 HG3 GLU A2645 8.711 -2.463 -0.750 1.00 0.00 H new ATOM 257 N ARG A2646 5.851 -3.600 -4.530 1.00 0.00 N ATOM 258 CA ARG A2646 4.454 -3.790 -4.910 1.00 0.00 C ATOM 259 C ARG A2646 3.600 -3.912 -3.650 1.00 0.00 C ATOM 260 O ARG A2646 3.408 -5.007 -3.119 1.00 0.00 O ATOM 261 CB ARG A2646 4.300 -5.042 -5.775 1.00 0.00 C ATOM 262 CG ARG A2646 4.732 -4.842 -7.219 1.00 0.00 C ATOM 263 CD ARG A2646 6.102 -5.450 -7.486 1.00 0.00 C ATOM 264 NE ARG A2646 6.012 -6.676 -8.281 1.00 0.00 N ATOM 265 CZ ARG A2646 5.973 -7.903 -7.763 1.00 0.00 C ATOM 266 NH1 ARG A2646 6.013 -8.084 -6.447 1.00 0.00 N ATOM 267 NH2 ARG A2646 5.893 -8.955 -8.565 1.00 0.00 N ATOM 0 H ARG A2646 6.305 -4.445 -4.184 1.00 0.00 H new ATOM 0 HA ARG A2646 4.122 -2.930 -5.492 1.00 0.00 H new ATOM 0 HB2 ARG A2646 4.887 -5.850 -5.338 1.00 0.00 H new ATOM 0 HB3 ARG A2646 3.257 -5.360 -5.757 1.00 0.00 H new ATOM 0 HG2 ARG A2646 3.997 -5.294 -7.885 1.00 0.00 H new ATOM 0 HG3 ARG A2646 4.756 -3.776 -7.448 1.00 0.00 H new ATOM 0 HD2 ARG A2646 6.725 -4.724 -8.008 1.00 0.00 H new ATOM 0 HD3 ARG A2646 6.593 -5.668 -6.538 1.00 0.00 H new ATOM 0 HE ARG A2646 5.977 -6.585 -9.296 1.00 0.00 H new ATOM 0 HH11 ARG A2646 6.074 -7.279 -5.823 1.00 0.00 H new ATOM 0 HH12 ARG A2646 5.983 -9.028 -6.061 1.00 0.00 H new ATOM 0 HH21 ARG A2646 5.861 -8.824 -9.576 1.00 0.00 H new ATOM 0 HH22 ARG A2646 5.863 -9.895 -8.171 1.00 0.00 H new ATOM 281 N VAL A2647 3.128 -2.774 -3.154 1.00 0.00 N ATOM 282 CA VAL A2647 2.334 -2.732 -1.927 1.00 0.00 C ATOM 283 C VAL A2647 0.983 -3.442 -2.064 1.00 0.00 C ATOM 284 O VAL A2647 0.232 -3.181 -2.999 1.00 0.00 O ATOM 285 CB VAL A2647 2.079 -1.282 -1.488 1.00 0.00 C ATOM 286 CG1 VAL A2647 1.493 -1.247 -0.088 1.00 0.00 C ATOM 287 CG2 VAL A2647 3.360 -0.465 -1.559 1.00 0.00 C ATOM 0 H VAL A2647 3.282 -1.862 -3.584 1.00 0.00 H new ATOM 0 HA VAL A2647 2.923 -3.259 -1.177 1.00 0.00 H new ATOM 0 HB VAL A2647 1.357 -0.837 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A2647 1.318 -0.212 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A2647 0.549 -1.792 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A2647 2.190 -1.711 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A2647 3.157 0.558 -1.244 1.00 0.00 H new ATOM 0 HG22 VAL A2647 4.109 -0.905 -0.901 1.00 0.00 H new ATOM 0 HG23 VAL A2647 3.733 -0.462 -2.583 1.00 0.00 H new ATOM 297 N PRO A2648 0.647 -4.345 -1.112 1.00 0.00 N ATOM 298 CA PRO A2648 -0.620 -5.079 -1.116 1.00 0.00 C ATOM 299 C PRO A2648 -1.785 -4.228 -0.613 1.00 0.00 C ATOM 300 O PRO A2648 -1.661 -3.504 0.386 1.00 0.00 O ATOM 301 CB PRO A2648 -0.376 -6.255 -0.156 1.00 0.00 C ATOM 302 CG PRO A2648 1.047 -6.140 0.291 1.00 0.00 C ATOM 303 CD PRO A2648 1.461 -4.717 0.044 1.00 0.00 C ATOM 0 HA PRO A2648 -0.896 -5.388 -2.124 1.00 0.00 H new ATOM 0 HB2 PRO A2648 -1.056 -6.211 0.695 1.00 0.00 H new ATOM 0 HB3 PRO A2648 -0.552 -7.208 -0.655 1.00 0.00 H new ATOM 0 HG2 PRO A2648 1.143 -6.394 1.347 1.00 0.00 H new ATOM 0 HG3 PRO A2648 1.684 -6.830 -0.262 1.00 0.00 H new ATOM 0 HD2 PRO A2648 1.258 -4.080 0.905 1.00 0.00 H new ATOM 0 HD3 PRO A2648 2.527 -4.636 -0.168 1.00 0.00 H new ATOM 311 N VAL A2649 -2.918 -4.320 -1.305 1.00 0.00 N ATOM 312 CA VAL A2649 -4.105 -3.556 -0.938 1.00 0.00 C ATOM 313 C VAL A2649 -5.258 -4.465 -0.518 1.00 0.00 C ATOM 314 O VAL A2649 -5.465 -5.530 -1.099 1.00 0.00 O ATOM 315 CB VAL A2649 -4.572 -2.673 -2.112 1.00 0.00 C ATOM 316 CG1 VAL A2649 -3.496 -1.663 -2.481 1.00 0.00 C ATOM 317 CG2 VAL A2649 -4.941 -3.533 -3.315 1.00 0.00 C ATOM 0 H VAL A2649 -3.038 -4.917 -2.123 1.00 0.00 H new ATOM 0 HA VAL A2649 -3.825 -2.929 -0.091 1.00 0.00 H new ATOM 0 HB VAL A2649 -5.461 -2.125 -1.799 1.00 0.00 H new ATOM 0 HG11 VAL A2649 -3.843 -1.048 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A2649 -3.285 -1.026 -1.622 1.00 0.00 H new ATOM 0 HG13 VAL A2649 -2.588 -2.190 -2.774 1.00 0.00 H new ATOM 0 HG21 VAL A2649 -5.268 -2.892 -4.134 1.00 0.00 H new ATOM 0 HG22 VAL A2649 -4.071 -4.109 -3.631 1.00 0.00 H new ATOM 0 HG23 VAL A2649 -5.748 -4.213 -3.042 1.00 0.00 H new ATOM 327 N VAL A2650 -6.012 -4.026 0.486 1.00 0.00 N ATOM 328 CA VAL A2650 -7.155 -4.790 0.977 1.00 0.00 C ATOM 329 C VAL A2650 -8.433 -3.958 0.897 1.00 0.00 C ATOM 330 O VAL A2650 -8.485 -2.839 1.413 1.00 0.00 O ATOM 331 CB VAL A2650 -6.967 -5.272 2.440 1.00 0.00 C ATOM 332 CG1 VAL A2650 -6.831 -6.789 2.498 1.00 0.00 C ATOM 333 CG2 VAL A2650 -5.767 -4.602 3.096 1.00 0.00 C ATOM 0 H VAL A2650 -5.852 -3.145 0.975 1.00 0.00 H new ATOM 0 HA VAL A2650 -7.233 -5.668 0.335 1.00 0.00 H new ATOM 0 HB VAL A2650 -7.858 -4.984 2.998 1.00 0.00 H new ATOM 0 HG11 VAL A2650 -6.700 -7.103 3.533 1.00 0.00 H new ATOM 0 HG12 VAL A2650 -7.730 -7.251 2.089 1.00 0.00 H new ATOM 0 HG13 VAL A2650 -5.965 -7.099 1.913 1.00 0.00 H new ATOM 0 HG21 VAL A2650 -5.664 -4.962 4.120 1.00 0.00 H new ATOM 0 HG22 VAL A2650 -4.864 -4.842 2.534 1.00 0.00 H new ATOM 0 HG23 VAL A2650 -5.913 -3.522 3.104 1.00 0.00 H new ATOM 343 N ASN A2651 -9.464 -4.506 0.256 1.00 0.00 N ATOM 344 CA ASN A2651 -10.736 -3.803 0.130 1.00 0.00 C ATOM 345 C ASN A2651 -11.354 -3.591 1.506 1.00 0.00 C ATOM 346 O ASN A2651 -11.452 -4.521 2.306 1.00 0.00 O ATOM 347 CB ASN A2651 -11.708 -4.575 -0.766 1.00 0.00 C ATOM 348 CG ASN A2651 -12.969 -3.783 -1.058 1.00 0.00 C ATOM 349 OD1 ASN A2651 -13.628 -3.287 -0.147 1.00 0.00 O ATOM 350 ND2 ASN A2651 -13.313 -3.657 -2.334 1.00 0.00 N ATOM 0 H ASN A2651 -9.443 -5.428 -0.181 1.00 0.00 H new ATOM 0 HA ASN A2651 -10.543 -2.835 -0.332 1.00 0.00 H new ATOM 0 HB2 ASN A2651 -11.213 -4.826 -1.704 1.00 0.00 H new ATOM 0 HB3 ASN A2651 -11.975 -5.516 -0.284 1.00 0.00 H new ATOM 0 HD21 ASN A2651 -14.151 -3.133 -2.587 1.00 0.00 H new ATOM 0 HD22 ASN A2651 -12.739 -4.084 -3.061 1.00 0.00 H new ATOM 357 N LYS A2652 -11.744 -2.357 1.781 1.00 0.00 N ATOM 358 CA LYS A2652 -12.327 -2.004 3.070 1.00 0.00 C ATOM 359 C LYS A2652 -13.682 -2.673 3.295 1.00 0.00 C ATOM 360 O LYS A2652 -14.078 -2.909 4.437 1.00 0.00 O ATOM 361 CB LYS A2652 -12.474 -0.485 3.181 1.00 0.00 C ATOM 362 CG LYS A2652 -11.320 0.288 2.558 1.00 0.00 C ATOM 363 CD LYS A2652 -10.716 1.281 3.539 1.00 0.00 C ATOM 364 CE LYS A2652 -11.196 2.697 3.266 1.00 0.00 C ATOM 365 NZ LYS A2652 -12.359 3.063 4.119 1.00 0.00 N ATOM 0 H LYS A2652 -11.668 -1.578 1.127 1.00 0.00 H new ATOM 0 HA LYS A2652 -11.649 -2.368 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A2652 -13.404 -0.183 2.700 1.00 0.00 H new ATOM 0 HB3 LYS A2652 -12.556 -0.213 4.233 1.00 0.00 H new ATOM 0 HG2 LYS A2652 -10.551 -0.410 2.226 1.00 0.00 H new ATOM 0 HG3 LYS A2652 -11.672 0.818 1.673 1.00 0.00 H new ATOM 0 HD2 LYS A2652 -10.982 0.996 4.557 1.00 0.00 H new ATOM 0 HD3 LYS A2652 -9.629 1.245 3.471 1.00 0.00 H new ATOM 0 HE2 LYS A2652 -10.380 3.398 3.444 1.00 0.00 H new ATOM 0 HE3 LYS A2652 -11.472 2.790 2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A2652 -12.656 4.036 3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A2652 -13.147 2.410 3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A2652 -12.088 2.999 5.121 1.00 0.00 H new ATOM 379 N ARG A2653 -14.407 -2.949 2.216 1.00 0.00 N ATOM 380 CA ARG A2653 -15.731 -3.558 2.326 1.00 0.00 C ATOM 381 C ARG A2653 -15.696 -5.082 2.206 1.00 0.00 C ATOM 382 O ARG A2653 -16.120 -5.791 3.119 1.00 0.00 O ATOM 383 CB ARG A2653 -16.652 -2.986 1.243 1.00 0.00 C ATOM 384 CG ARG A2653 -17.651 -1.966 1.767 1.00 0.00 C ATOM 385 CD ARG A2653 -18.839 -1.819 0.829 1.00 0.00 C ATOM 386 NE ARG A2653 -19.094 -0.422 0.483 1.00 0.00 N ATOM 387 CZ ARG A2653 -19.773 -0.037 -0.596 1.00 0.00 C ATOM 388 NH1 ARG A2653 -20.269 -0.938 -1.436 1.00 0.00 N ATOM 389 NH2 ARG A2653 -19.957 1.255 -0.836 1.00 0.00 N ATOM 0 H ARG A2653 -14.104 -2.763 1.260 1.00 0.00 H new ATOM 0 HA ARG A2653 -16.110 -3.319 3.320 1.00 0.00 H new ATOM 0 HB2 ARG A2653 -16.042 -2.520 0.469 1.00 0.00 H new ATOM 0 HB3 ARG A2653 -17.195 -3.805 0.771 1.00 0.00 H new ATOM 0 HG2 ARG A2653 -18.000 -2.270 2.754 1.00 0.00 H new ATOM 0 HG3 ARG A2653 -17.159 -1.001 1.887 1.00 0.00 H new ATOM 0 HD2 ARG A2653 -18.655 -2.390 -0.081 1.00 0.00 H new ATOM 0 HD3 ARG A2653 -19.726 -2.244 1.298 1.00 0.00 H new ATOM 0 HE ARG A2653 -18.731 0.300 1.105 1.00 0.00 H new ATOM 0 HH11 ARG A2653 -20.131 -1.933 -1.257 1.00 0.00 H new ATOM 0 HH12 ARG A2653 -20.788 -0.635 -2.260 1.00 0.00 H new ATOM 0 HH21 ARG A2653 -19.579 1.952 -0.194 1.00 0.00 H new ATOM 0 HH22 ARG A2653 -20.477 1.551 -1.662 1.00 0.00 H new ATOM 403 N ASN A2654 -15.224 -5.583 1.068 1.00 0.00 N ATOM 404 CA ASN A2654 -15.183 -7.029 0.833 1.00 0.00 C ATOM 405 C ASN A2654 -13.912 -7.682 1.376 1.00 0.00 C ATOM 406 O ASN A2654 -13.838 -8.907 1.470 1.00 0.00 O ATOM 407 CB ASN A2654 -15.341 -7.348 -0.660 1.00 0.00 C ATOM 408 CG ASN A2654 -14.697 -6.315 -1.563 1.00 0.00 C ATOM 409 OD1 ASN A2654 -15.273 -5.263 -1.835 1.00 0.00 O ATOM 410 ND2 ASN A2654 -13.496 -6.616 -2.033 1.00 0.00 N ATOM 0 H ASN A2654 -14.867 -5.017 0.298 1.00 0.00 H new ATOM 0 HA ASN A2654 -16.025 -7.451 1.382 1.00 0.00 H new ATOM 0 HB2 ASN A2654 -14.902 -8.324 -0.865 1.00 0.00 H new ATOM 0 HB3 ASN A2654 -16.402 -7.419 -0.899 1.00 0.00 H new ATOM 0 HD21 ASN A2654 -13.010 -5.963 -2.648 1.00 0.00 H new ATOM 0 HD22 ASN A2654 -13.057 -7.501 -1.780 1.00 0.00 H new ATOM 417 N GLY A2655 -12.922 -6.879 1.754 1.00 0.00 N ATOM 418 CA GLY A2655 -11.695 -7.437 2.300 1.00 0.00 C ATOM 419 C GLY A2655 -10.747 -7.996 1.250 1.00 0.00 C ATOM 420 O GLY A2655 -9.719 -8.580 1.594 1.00 0.00 O ATOM 0 H GLY A2655 -12.945 -5.861 1.694 1.00 0.00 H new ATOM 0 HA2 GLY A2655 -11.177 -6.663 2.867 1.00 0.00 H new ATOM 0 HA3 GLY A2655 -11.950 -8.230 3.003 1.00 0.00 H new ATOM 424 N LYS A2656 -11.076 -7.820 -0.028 1.00 0.00 N ATOM 425 CA LYS A2656 -10.224 -8.317 -1.110 1.00 0.00 C ATOM 426 C LYS A2656 -8.774 -7.906 -0.888 1.00 0.00 C ATOM 427 O LYS A2656 -8.457 -6.722 -0.868 1.00 0.00 O ATOM 428 CB LYS A2656 -10.703 -7.784 -2.460 1.00 0.00 C ATOM 429 CG LYS A2656 -11.628 -8.738 -3.193 1.00 0.00 C ATOM 430 CD LYS A2656 -10.951 -9.362 -4.404 1.00 0.00 C ATOM 431 CE LYS A2656 -11.503 -8.799 -5.705 1.00 0.00 C ATOM 432 NZ LYS A2656 -12.856 -9.337 -6.013 1.00 0.00 N ATOM 0 H LYS A2656 -11.920 -7.340 -0.340 1.00 0.00 H new ATOM 0 HA LYS A2656 -10.288 -9.405 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS A2656 -11.219 -6.837 -2.305 1.00 0.00 H new ATOM 0 HB3 LYS A2656 -9.837 -7.576 -3.088 1.00 0.00 H new ATOM 0 HG2 LYS A2656 -11.952 -9.525 -2.512 1.00 0.00 H new ATOM 0 HG3 LYS A2656 -12.523 -8.204 -3.512 1.00 0.00 H new ATOM 0 HD2 LYS A2656 -9.877 -9.181 -4.355 1.00 0.00 H new ATOM 0 HD3 LYS A2656 -11.093 -10.442 -4.385 1.00 0.00 H new ATOM 0 HE2 LYS A2656 -11.551 -7.712 -5.639 1.00 0.00 H new ATOM 0 HE3 LYS A2656 -10.822 -9.039 -6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A2656 -13.197 -8.929 -6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A2656 -12.806 -10.372 -6.102 1.00 0.00 H new ATOM 0 HZ3 LYS A2656 -13.512 -9.087 -5.246 1.00 0.00 H new ATOM 446 N LYS A2657 -7.893 -8.886 -0.740 1.00 0.00 N ATOM 447 CA LYS A2657 -6.478 -8.606 -0.534 1.00 0.00 C ATOM 448 C LYS A2657 -5.671 -8.976 -1.770 1.00 0.00 C ATOM 449 O LYS A2657 -5.835 -10.061 -2.329 1.00 0.00 O ATOM 450 CB LYS A2657 -5.949 -9.367 0.681 1.00 0.00 C ATOM 451 CG LYS A2657 -4.576 -8.897 1.134 1.00 0.00 C ATOM 452 CD LYS A2657 -4.062 -9.714 2.309 1.00 0.00 C ATOM 453 CE LYS A2657 -3.040 -10.749 1.863 1.00 0.00 C ATOM 454 NZ LYS A2657 -1.685 -10.156 1.701 1.00 0.00 N ATOM 0 H LYS A2657 -8.131 -9.878 -0.759 1.00 0.00 H new ATOM 0 HA LYS A2657 -6.370 -7.537 -0.352 1.00 0.00 H new ATOM 0 HB2 LYS A2657 -6.653 -9.256 1.505 1.00 0.00 H new ATOM 0 HB3 LYS A2657 -5.901 -10.430 0.443 1.00 0.00 H new ATOM 0 HG2 LYS A2657 -3.874 -8.971 0.304 1.00 0.00 H new ATOM 0 HG3 LYS A2657 -4.626 -7.845 1.416 1.00 0.00 H new ATOM 0 HD2 LYS A2657 -3.611 -9.050 3.046 1.00 0.00 H new ATOM 0 HD3 LYS A2657 -4.897 -10.214 2.799 1.00 0.00 H new ATOM 0 HE2 LYS A2657 -2.998 -11.556 2.594 1.00 0.00 H new ATOM 0 HE3 LYS A2657 -3.359 -11.190 0.919 1.00 0.00 H new ATOM 0 HZ1 LYS A2657 -1.018 -10.893 1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A2657 -1.719 -9.403 0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A2657 -1.370 -9.757 2.608 1.00 0.00 H new ATOM 468 N MET A2658 -4.802 -8.069 -2.191 1.00 0.00 N ATOM 469 CA MET A2658 -3.970 -8.299 -3.362 1.00 0.00 C ATOM 470 C MET A2658 -2.534 -7.868 -3.100 1.00 0.00 C ATOM 471 O MET A2658 -2.233 -6.675 -3.055 1.00 0.00 O ATOM 472 CB MET A2658 -4.529 -7.545 -4.570 1.00 0.00 C ATOM 473 CG MET A2658 -6.049 -7.533 -4.634 1.00 0.00 C ATOM 474 SD MET A2658 -6.673 -6.930 -6.216 1.00 0.00 S ATOM 475 CE MET A2658 -6.771 -5.172 -5.894 1.00 0.00 C ATOM 0 H MET A2658 -4.655 -7.167 -1.739 1.00 0.00 H new ATOM 0 HA MET A2658 -3.977 -9.368 -3.576 1.00 0.00 H new ATOM 0 HB2 MET A2658 -4.167 -6.517 -4.545 1.00 0.00 H new ATOM 0 HB3 MET A2658 -4.139 -7.998 -5.482 1.00 0.00 H new ATOM 0 HG2 MET A2658 -6.424 -8.542 -4.460 1.00 0.00 H new ATOM 0 HG3 MET A2658 -6.438 -6.906 -3.832 1.00 0.00 H new ATOM 0 HE1 MET A2658 -7.735 -4.793 -6.233 1.00 0.00 H new ATOM 0 HE2 MET A2658 -6.666 -4.992 -4.824 1.00 0.00 H new ATOM 0 HE3 MET A2658 -5.972 -4.659 -6.429 1.00 0.00 H new ATOM 526 N ALA A2663 -1.034 -5.452 -7.370 1.00 0.00 N ATOM 527 CA ALA A2663 -0.748 -4.542 -6.273 1.00 0.00 C ATOM 528 C ALA A2663 -0.075 -3.261 -6.750 1.00 0.00 C ATOM 529 O ALA A2663 0.780 -3.286 -7.634 1.00 0.00 O ATOM 530 CB ALA A2663 0.112 -5.222 -5.226 1.00 0.00 C ATOM 0 HA ALA A2663 -1.705 -4.267 -5.829 1.00 0.00 H new ATOM 0 HB1 ALA A2663 0.315 -4.525 -4.413 1.00 0.00 H new ATOM 0 HB2 ALA A2663 -0.413 -6.093 -4.834 1.00 0.00 H new ATOM 0 HB3 ALA A2663 1.053 -5.538 -5.677 1.00 0.00 H new ATOM 536 N PRO A2664 -0.459 -2.120 -6.159 1.00 0.00 N ATOM 537 CA PRO A2664 0.103 -0.812 -6.512 1.00 0.00 C ATOM 538 C PRO A2664 1.590 -0.692 -6.179 1.00 0.00 C ATOM 539 O PRO A2664 2.048 -1.189 -5.147 1.00 0.00 O ATOM 540 CB PRO A2664 -0.701 0.169 -5.655 1.00 0.00 C ATOM 541 CG PRO A2664 -1.248 -0.646 -4.536 1.00 0.00 C ATOM 542 CD PRO A2664 -1.479 -2.016 -5.101 1.00 0.00 C ATOM 0 HA PRO A2664 0.035 -0.630 -7.585 1.00 0.00 H new ATOM 0 HB2 PRO A2664 -0.069 0.975 -5.282 1.00 0.00 H new ATOM 0 HB3 PRO A2664 -1.501 0.632 -6.233 1.00 0.00 H new ATOM 0 HG2 PRO A2664 -0.549 -0.681 -3.700 1.00 0.00 H new ATOM 0 HG3 PRO A2664 -2.176 -0.218 -4.158 1.00 0.00 H new ATOM 0 HD2 PRO A2664 -1.354 -2.790 -4.344 1.00 0.00 H new ATOM 0 HD3 PRO A2664 -2.487 -2.122 -5.502 1.00 0.00 H new ATOM 550 N PRO A2665 2.364 -0.013 -7.046 1.00 0.00 N ATOM 551 CA PRO A2665 3.791 0.187 -6.835 1.00 0.00 C ATOM 552 C PRO A2665 4.066 1.382 -5.927 1.00 0.00 C ATOM 553 O PRO A2665 3.353 2.387 -5.969 1.00 0.00 O ATOM 554 CB PRO A2665 4.310 0.443 -8.246 1.00 0.00 C ATOM 555 CG PRO A2665 3.176 1.105 -8.953 1.00 0.00 C ATOM 556 CD PRO A2665 1.903 0.623 -8.296 1.00 0.00 C ATOM 0 HA PRO A2665 4.269 -0.659 -6.341 1.00 0.00 H new ATOM 0 HB2 PRO A2665 5.194 1.080 -8.233 1.00 0.00 H new ATOM 0 HB3 PRO A2665 4.594 -0.487 -8.738 1.00 0.00 H new ATOM 0 HG2 PRO A2665 3.259 2.190 -8.884 1.00 0.00 H new ATOM 0 HG3 PRO A2665 3.182 0.852 -10.013 1.00 0.00 H new ATOM 0 HD2 PRO A2665 1.220 1.449 -8.095 1.00 0.00 H new ATOM 0 HD3 PRO A2665 1.370 -0.085 -8.931 1.00 0.00 H new ATOM 564 N MET A2666 5.085 1.250 -5.089 1.00 0.00 N ATOM 565 CA MET A2666 5.450 2.298 -4.139 1.00 0.00 C ATOM 566 C MET A2666 5.416 3.699 -4.757 1.00 0.00 C ATOM 567 O MET A2666 4.821 4.613 -4.188 1.00 0.00 O ATOM 568 CB MET A2666 6.838 2.024 -3.557 1.00 0.00 C ATOM 569 CG MET A2666 6.912 2.213 -2.052 1.00 0.00 C ATOM 570 SD MET A2666 6.195 0.830 -1.146 1.00 0.00 S ATOM 571 CE MET A2666 5.369 1.690 0.187 1.00 0.00 C ATOM 0 H MET A2666 5.679 0.422 -5.046 1.00 0.00 H new ATOM 0 HA MET A2666 4.702 2.277 -3.346 1.00 0.00 H new ATOM 0 HB2 MET A2666 7.131 1.003 -3.802 1.00 0.00 H new ATOM 0 HB3 MET A2666 7.561 2.686 -4.034 1.00 0.00 H new ATOM 0 HG2 MET A2666 7.954 2.336 -1.755 1.00 0.00 H new ATOM 0 HG3 MET A2666 6.392 3.131 -1.778 1.00 0.00 H new ATOM 0 HE1 MET A2666 4.536 1.087 0.548 1.00 0.00 H new ATOM 0 HE2 MET A2666 6.073 1.861 1.001 1.00 0.00 H new ATOM 0 HE3 MET A2666 4.994 2.647 -0.175 1.00 0.00 H new ATOM 581 N LYS A2667 6.084 3.879 -5.894 1.00 0.00 N ATOM 582 CA LYS A2667 6.143 5.199 -6.532 1.00 0.00 C ATOM 583 C LYS A2667 4.815 5.638 -7.161 1.00 0.00 C ATOM 584 O LYS A2667 4.721 6.746 -7.691 1.00 0.00 O ATOM 585 CB LYS A2667 7.250 5.228 -7.586 1.00 0.00 C ATOM 586 CG LYS A2667 6.943 4.391 -8.818 1.00 0.00 C ATOM 587 CD LYS A2667 8.053 3.394 -9.105 1.00 0.00 C ATOM 588 CE LYS A2667 8.748 3.695 -10.422 1.00 0.00 C ATOM 589 NZ LYS A2667 9.728 4.808 -10.294 1.00 0.00 N ATOM 0 H LYS A2667 6.586 3.142 -6.389 1.00 0.00 H new ATOM 0 HA LYS A2667 6.361 5.911 -5.736 1.00 0.00 H new ATOM 0 HB2 LYS A2667 7.421 6.260 -7.892 1.00 0.00 H new ATOM 0 HB3 LYS A2667 8.177 4.871 -7.137 1.00 0.00 H new ATOM 0 HG2 LYS A2667 6.003 3.859 -8.672 1.00 0.00 H new ATOM 0 HG3 LYS A2667 6.809 5.045 -9.679 1.00 0.00 H new ATOM 0 HD2 LYS A2667 8.782 3.417 -8.295 1.00 0.00 H new ATOM 0 HD3 LYS A2667 7.639 2.386 -9.133 1.00 0.00 H new ATOM 0 HE2 LYS A2667 9.260 2.800 -10.774 1.00 0.00 H new ATOM 0 HE3 LYS A2667 8.003 3.953 -11.174 1.00 0.00 H new ATOM 0 HZ1 LYS A2667 10.179 4.981 -11.215 1.00 0.00 H new ATOM 0 HZ2 LYS A2667 9.236 5.670 -9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A2667 10.454 4.552 -9.595 1.00 0.00 H new ATOM 603 N ASP A2668 3.790 4.790 -7.113 1.00 0.00 N ATOM 604 CA ASP A2668 2.492 5.147 -7.696 1.00 0.00 C ATOM 605 C ASP A2668 1.332 4.870 -6.735 1.00 0.00 C ATOM 606 O ASP A2668 0.168 5.057 -7.089 1.00 0.00 O ATOM 607 CB ASP A2668 2.276 4.393 -9.008 1.00 0.00 C ATOM 608 CG ASP A2668 1.635 5.257 -10.076 1.00 0.00 C ATOM 609 OD1 ASP A2668 1.619 4.836 -11.252 1.00 0.00 O ATOM 610 OD2 ASP A2668 1.149 6.357 -9.738 1.00 0.00 O ATOM 0 H ASP A2668 3.827 3.865 -6.685 1.00 0.00 H new ATOM 0 HA ASP A2668 2.508 6.219 -7.891 1.00 0.00 H new ATOM 0 HB2 ASP A2668 3.234 4.022 -9.372 1.00 0.00 H new ATOM 0 HB3 ASP A2668 1.647 3.522 -8.824 1.00 0.00 H new ATOM 615 N LEU A2669 1.652 4.421 -5.524 1.00 0.00 N ATOM 616 CA LEU A2669 0.634 4.114 -4.516 1.00 0.00 C ATOM 617 C LEU A2669 -0.464 5.186 -4.432 1.00 0.00 C ATOM 618 O LEU A2669 -1.646 4.854 -4.334 1.00 0.00 O ATOM 619 CB LEU A2669 1.287 3.953 -3.142 1.00 0.00 C ATOM 620 CG LEU A2669 2.218 2.751 -2.997 1.00 0.00 C ATOM 621 CD1 LEU A2669 2.998 2.841 -1.694 1.00 0.00 C ATOM 622 CD2 LEU A2669 1.428 1.455 -3.059 1.00 0.00 C ATOM 0 H LEU A2669 2.610 4.260 -5.214 1.00 0.00 H new ATOM 0 HA LEU A2669 0.161 3.182 -4.824 1.00 0.00 H new ATOM 0 HB2 LEU A2669 1.852 4.858 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A2669 0.500 3.875 -2.391 1.00 0.00 H new ATOM 0 HG LEU A2669 2.927 2.759 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A2669 3.657 1.978 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A2669 3.593 3.754 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A2669 2.303 2.856 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A2669 2.108 0.609 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU A2669 0.697 1.436 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A2669 0.912 1.389 -4.017 1.00 0.00 H new ATOM 634 N PRO A2670 -0.095 6.483 -4.441 1.00 0.00 N ATOM 635 CA PRO A2670 -1.067 7.586 -4.335 1.00 0.00 C ATOM 636 C PRO A2670 -2.033 7.662 -5.516 1.00 0.00 C ATOM 637 O PRO A2670 -3.173 8.117 -5.372 1.00 0.00 O ATOM 638 CB PRO A2670 -0.189 8.845 -4.297 1.00 0.00 C ATOM 639 CG PRO A2670 1.175 8.360 -3.944 1.00 0.00 C ATOM 640 CD PRO A2670 1.285 6.984 -4.527 1.00 0.00 C ATOM 0 HA PRO A2670 -1.705 7.457 -3.461 1.00 0.00 H new ATOM 0 HB2 PRO A2670 -0.189 9.354 -5.261 1.00 0.00 H new ATOM 0 HB3 PRO A2670 -0.556 9.559 -3.560 1.00 0.00 H new ATOM 0 HG2 PRO A2670 1.942 9.019 -4.351 1.00 0.00 H new ATOM 0 HG3 PRO A2670 1.314 8.339 -2.863 1.00 0.00 H new ATOM 0 HD2 PRO A2670 1.643 7.008 -5.556 1.00 0.00 H new ATOM 0 HD3 PRO A2670 1.978 6.360 -3.963 1.00 0.00 H new ATOM 648 N ARG A2671 -1.592 7.182 -6.672 1.00 0.00 N ATOM 649 CA ARG A2671 -2.438 7.182 -7.857 1.00 0.00 C ATOM 650 C ARG A2671 -3.405 6.016 -7.790 1.00 0.00 C ATOM 651 O ARG A2671 -4.615 6.182 -7.940 1.00 0.00 O ATOM 652 CB ARG A2671 -1.591 7.102 -9.128 1.00 0.00 C ATOM 653 CG ARG A2671 -2.132 7.954 -10.265 1.00 0.00 C ATOM 654 CD ARG A2671 -1.467 7.610 -11.588 1.00 0.00 C ATOM 655 NE ARG A2671 -1.979 6.360 -12.149 1.00 0.00 N ATOM 656 CZ ARG A2671 -2.095 6.121 -13.454 1.00 0.00 C ATOM 657 NH1 ARG A2671 -1.726 7.035 -14.345 1.00 0.00 N ATOM 658 NH2 ARG A2671 -2.578 4.958 -13.872 1.00 0.00 N ATOM 0 H ARG A2671 -0.661 6.791 -6.813 1.00 0.00 H new ATOM 0 HA ARG A2671 -3.002 8.114 -7.888 1.00 0.00 H new ATOM 0 HB2 ARG A2671 -0.573 7.418 -8.899 1.00 0.00 H new ATOM 0 HB3 ARG A2671 -1.536 6.064 -9.455 1.00 0.00 H new ATOM 0 HG2 ARG A2671 -3.209 7.808 -10.350 1.00 0.00 H new ATOM 0 HG3 ARG A2671 -1.970 9.008 -10.039 1.00 0.00 H new ATOM 0 HD2 ARG A2671 -1.631 8.420 -12.298 1.00 0.00 H new ATOM 0 HD3 ARG A2671 -0.390 7.528 -11.442 1.00 0.00 H new ATOM 0 HE ARG A2671 -2.265 5.626 -11.501 1.00 0.00 H new ATOM 0 HH11 ARG A2671 -1.350 7.930 -14.032 1.00 0.00 H new ATOM 0 HH12 ARG A2671 -1.819 6.842 -15.342 1.00 0.00 H new ATOM 0 HH21 ARG A2671 -2.859 4.249 -13.194 1.00 0.00 H new ATOM 0 HH22 ARG A2671 -2.668 4.773 -14.871 1.00 0.00 H new ATOM 672 N TRP A2672 -2.857 4.835 -7.547 1.00 0.00 N ATOM 673 CA TRP A2672 -3.655 3.628 -7.436 1.00 0.00 C ATOM 674 C TRP A2672 -4.677 3.771 -6.322 1.00 0.00 C ATOM 675 O TRP A2672 -5.835 3.383 -6.476 1.00 0.00 O ATOM 676 CB TRP A2672 -2.751 2.435 -7.165 1.00 0.00 C ATOM 677 CG TRP A2672 -3.468 1.122 -7.118 1.00 0.00 C ATOM 678 CD1 TRP A2672 -3.452 0.154 -8.078 1.00 0.00 C ATOM 679 CD2 TRP A2672 -4.283 0.620 -6.052 1.00 0.00 C ATOM 680 NE1 TRP A2672 -4.198 -0.925 -7.673 1.00 0.00 N ATOM 681 CE2 TRP A2672 -4.720 -0.663 -6.434 1.00 0.00 C ATOM 682 CE3 TRP A2672 -4.688 1.125 -4.811 1.00 0.00 C ATOM 683 CZ2 TRP A2672 -5.533 -1.444 -5.619 1.00 0.00 C ATOM 684 CZ3 TRP A2672 -5.498 0.348 -4.007 1.00 0.00 C ATOM 685 CH2 TRP A2672 -5.910 -0.925 -4.412 1.00 0.00 C ATOM 0 H TRP A2672 -1.855 4.689 -7.422 1.00 0.00 H new ATOM 0 HA TRP A2672 -4.185 3.469 -8.375 1.00 0.00 H new ATOM 0 HB2 TRP A2672 -1.985 2.391 -7.939 1.00 0.00 H new ATOM 0 HB3 TRP A2672 -2.237 2.590 -6.216 1.00 0.00 H new ATOM 0 HD1 TRP A2672 -2.929 0.226 -9.020 1.00 0.00 H new ATOM 0 HE1 TRP A2672 -4.340 -1.782 -8.208 1.00 0.00 H new ATOM 0 HE3 TRP A2672 -4.372 2.106 -4.488 1.00 0.00 H new ATOM 0 HZ2 TRP A2672 -5.855 -2.427 -5.929 1.00 0.00 H new ATOM 0 HZ3 TRP A2672 -5.819 0.730 -3.049 1.00 0.00 H new ATOM 0 HH2 TRP A2672 -6.539 -1.510 -3.758 1.00 0.00 H new ATOM 696 N LEU A2673 -4.250 4.344 -5.198 1.00 0.00 N ATOM 697 CA LEU A2673 -5.153 4.541 -4.080 1.00 0.00 C ATOM 698 C LEU A2673 -6.274 5.478 -4.491 1.00 0.00 C ATOM 699 O LEU A2673 -7.451 5.139 -4.364 1.00 0.00 O ATOM 700 CB LEU A2673 -4.406 5.092 -2.873 1.00 0.00 C ATOM 701 CG LEU A2673 -4.023 4.028 -1.848 1.00 0.00 C ATOM 702 CD1 LEU A2673 -5.267 3.415 -1.224 1.00 0.00 C ATOM 703 CD2 LEU A2673 -3.165 2.952 -2.499 1.00 0.00 C ATOM 0 H LEU A2673 -3.297 4.674 -5.044 1.00 0.00 H new ATOM 0 HA LEU A2673 -5.580 3.579 -3.796 1.00 0.00 H new ATOM 0 HB2 LEU A2673 -3.502 5.595 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A2673 -5.026 5.845 -2.387 1.00 0.00 H new ATOM 0 HG LEU A2673 -3.442 4.502 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A2673 -4.974 2.659 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A2673 -5.845 4.193 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A2673 -5.875 2.953 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A2673 -2.899 2.200 -1.756 1.00 0.00 H new ATOM 0 HD22 LEU A2673 -3.723 2.482 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A2673 -2.257 3.403 -2.899 1.00 0.00 H new ATOM 715 N GLU A2674 -5.915 6.658 -4.999 1.00 0.00 N ATOM 716 CA GLU A2674 -6.920 7.618 -5.437 1.00 0.00 C ATOM 717 C GLU A2674 -7.891 6.954 -6.407 1.00 0.00 C ATOM 718 O GLU A2674 -9.063 7.323 -6.486 1.00 0.00 O ATOM 719 CB GLU A2674 -6.254 8.825 -6.102 1.00 0.00 C ATOM 720 CG GLU A2674 -6.040 9.999 -5.158 1.00 0.00 C ATOM 721 CD GLU A2674 -6.645 11.287 -5.681 1.00 0.00 C ATOM 722 OE1 GLU A2674 -7.883 11.345 -5.828 1.00 0.00 O ATOM 723 OE2 GLU A2674 -5.879 12.237 -5.945 1.00 0.00 O ATOM 0 H GLU A2674 -4.949 6.966 -5.115 1.00 0.00 H new ATOM 0 HA GLU A2674 -7.473 7.965 -4.564 1.00 0.00 H new ATOM 0 HB2 GLU A2674 -5.291 8.519 -6.511 1.00 0.00 H new ATOM 0 HB3 GLU A2674 -6.868 9.152 -6.941 1.00 0.00 H new ATOM 0 HG2 GLU A2674 -6.478 9.764 -4.188 1.00 0.00 H new ATOM 0 HG3 GLU A2674 -4.971 10.142 -4.999 1.00 0.00 H new ATOM 730 N GLU A2675 -7.387 5.966 -7.141 1.00 0.00 N ATOM 731 CA GLU A2675 -8.192 5.234 -8.109 1.00 0.00 C ATOM 732 C GLU A2675 -9.021 4.146 -7.426 1.00 0.00 C ATOM 733 O GLU A2675 -10.070 3.747 -7.933 1.00 0.00 O ATOM 734 CB GLU A2675 -7.289 4.612 -9.177 1.00 0.00 C ATOM 735 CG GLU A2675 -7.322 5.349 -10.505 1.00 0.00 C ATOM 736 CD GLU A2675 -8.242 4.692 -11.514 1.00 0.00 C ATOM 737 OE1 GLU A2675 -7.744 4.237 -12.565 1.00 0.00 O ATOM 738 OE2 GLU A2675 -9.462 4.631 -11.254 1.00 0.00 O ATOM 0 H GLU A2675 -6.418 5.654 -7.081 1.00 0.00 H new ATOM 0 HA GLU A2675 -8.878 5.937 -8.582 1.00 0.00 H new ATOM 0 HB2 GLU A2675 -6.264 4.592 -8.807 1.00 0.00 H new ATOM 0 HB3 GLU A2675 -7.590 3.577 -9.338 1.00 0.00 H new ATOM 0 HG2 GLU A2675 -7.646 6.376 -10.338 1.00 0.00 H new ATOM 0 HG3 GLU A2675 -6.313 5.396 -10.915 1.00 0.00 H new ATOM 745 N ASN A2676 -8.547 3.666 -6.277 1.00 0.00 N ATOM 746 CA ASN A2676 -9.255 2.624 -5.539 1.00 0.00 C ATOM 747 C ASN A2676 -9.665 3.111 -4.148 1.00 0.00 C ATOM 748 O ASN A2676 -9.030 2.769 -3.149 1.00 0.00 O ATOM 749 CB ASN A2676 -8.376 1.377 -5.415 1.00 0.00 C ATOM 750 CG ASN A2676 -8.036 0.774 -6.764 1.00 0.00 C ATOM 751 OD1 ASN A2676 -8.791 -0.036 -7.303 1.00 0.00 O ATOM 752 ND2 ASN A2676 -6.895 1.168 -7.317 1.00 0.00 N ATOM 0 H ASN A2676 -7.681 3.981 -5.840 1.00 0.00 H new ATOM 0 HA ASN A2676 -10.160 2.375 -6.094 1.00 0.00 H new ATOM 0 HB2 ASN A2676 -7.455 1.635 -4.893 1.00 0.00 H new ATOM 0 HB3 ASN A2676 -8.889 0.633 -4.806 1.00 0.00 H new ATOM 0 HD21 ASN A2676 -6.613 0.797 -8.225 1.00 0.00 H new ATOM 0 HD22 ASN A2676 -6.300 1.841 -6.834 1.00 0.00 H new ATOM 759 N PRO A2677 -10.741 3.916 -4.064 1.00 0.00 N ATOM 760 CA PRO A2677 -11.233 4.448 -2.787 1.00 0.00 C ATOM 761 C PRO A2677 -11.755 3.353 -1.864 1.00 0.00 C ATOM 762 O PRO A2677 -11.806 3.528 -0.647 1.00 0.00 O ATOM 763 CB PRO A2677 -12.377 5.389 -3.195 1.00 0.00 C ATOM 764 CG PRO A2677 -12.207 5.614 -4.658 1.00 0.00 C ATOM 765 CD PRO A2677 -11.560 4.372 -5.196 1.00 0.00 C ATOM 0 HA PRO A2677 -10.439 4.943 -2.228 1.00 0.00 H new ATOM 0 HB2 PRO A2677 -13.348 4.944 -2.977 1.00 0.00 H new ATOM 0 HB3 PRO A2677 -12.327 6.329 -2.645 1.00 0.00 H new ATOM 0 HG2 PRO A2677 -13.168 5.793 -5.139 1.00 0.00 H new ATOM 0 HG3 PRO A2677 -11.587 6.490 -4.848 1.00 0.00 H new ATOM 0 HD2 PRO A2677 -12.298 3.625 -5.488 1.00 0.00 H new ATOM 0 HD3 PRO A2677 -10.953 4.581 -6.077 1.00 0.00 H new ATOM 773 N GLU A2678 -12.148 2.226 -2.448 1.00 0.00 N ATOM 774 CA GLU A2678 -12.671 1.107 -1.674 1.00 0.00 C ATOM 775 C GLU A2678 -11.546 0.223 -1.145 1.00 0.00 C ATOM 776 O GLU A2678 -11.799 -0.764 -0.454 1.00 0.00 O ATOM 777 CB GLU A2678 -13.617 0.270 -2.535 1.00 0.00 C ATOM 778 CG GLU A2678 -14.652 1.094 -3.284 1.00 0.00 C ATOM 779 CD GLU A2678 -15.953 1.229 -2.520 1.00 0.00 C ATOM 780 OE1 GLU A2678 -16.013 2.060 -1.590 1.00 0.00 O ATOM 781 OE2 GLU A2678 -16.914 0.502 -2.850 1.00 0.00 O ATOM 0 H GLU A2678 -12.114 2.064 -3.454 1.00 0.00 H new ATOM 0 HA GLU A2678 -13.215 1.516 -0.823 1.00 0.00 H new ATOM 0 HB2 GLU A2678 -13.030 -0.301 -3.255 1.00 0.00 H new ATOM 0 HB3 GLU A2678 -14.131 -0.451 -1.899 1.00 0.00 H new ATOM 0 HG2 GLU A2678 -14.247 2.086 -3.482 1.00 0.00 H new ATOM 0 HG3 GLU A2678 -14.849 0.631 -4.251 1.00 0.00 H new ATOM 788 N PHE A2679 -10.306 0.567 -1.480 1.00 0.00 N ATOM 789 CA PHE A2679 -9.163 -0.220 -1.038 1.00 0.00 C ATOM 790 C PHE A2679 -8.236 0.575 -0.129 1.00 0.00 C ATOM 791 O PHE A2679 -8.230 1.806 -0.138 1.00 0.00 O ATOM 792 CB PHE A2679 -8.381 -0.736 -2.244 1.00 0.00 C ATOM 793 CG PHE A2679 -8.932 -2.016 -2.793 1.00 0.00 C ATOM 794 CD1 PHE A2679 -8.242 -3.205 -2.631 1.00 0.00 C ATOM 795 CD2 PHE A2679 -10.145 -2.031 -3.462 1.00 0.00 C ATOM 796 CE1 PHE A2679 -8.751 -4.388 -3.127 1.00 0.00 C ATOM 797 CE2 PHE A2679 -10.658 -3.212 -3.961 1.00 0.00 C ATOM 798 CZ PHE A2679 -9.960 -4.394 -3.793 1.00 0.00 C ATOM 0 H PHE A2679 -10.070 1.378 -2.051 1.00 0.00 H new ATOM 0 HA PHE A2679 -9.553 -1.060 -0.463 1.00 0.00 H new ATOM 0 HB2 PHE A2679 -8.389 0.022 -3.027 1.00 0.00 H new ATOM 0 HB3 PHE A2679 -7.340 -0.888 -1.958 1.00 0.00 H new ATOM 0 HD1 PHE A2679 -7.295 -3.207 -2.111 1.00 0.00 H new ATOM 0 HD2 PHE A2679 -10.694 -1.111 -3.594 1.00 0.00 H new ATOM 0 HE1 PHE A2679 -8.203 -5.309 -2.994 1.00 0.00 H new ATOM 0 HE2 PHE A2679 -11.604 -3.213 -4.482 1.00 0.00 H new ATOM 0 HZ PHE A2679 -10.360 -5.319 -4.182 1.00 0.00 H new ATOM 808 N ALA A2680 -7.444 -0.156 0.644 1.00 0.00 N ATOM 809 CA ALA A2680 -6.488 0.440 1.563 1.00 0.00 C ATOM 810 C ALA A2680 -5.205 -0.384 1.577 1.00 0.00 C ATOM 811 O ALA A2680 -5.130 -1.421 0.920 1.00 0.00 O ATOM 812 CB ALA A2680 -7.086 0.552 2.954 1.00 0.00 C ATOM 0 H ALA A2680 -7.447 -1.176 0.651 1.00 0.00 H new ATOM 0 HA ALA A2680 -6.246 1.448 1.226 1.00 0.00 H new ATOM 0 HB1 ALA A2680 -6.357 1.000 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A2680 -7.978 1.177 2.917 1.00 0.00 H new ATOM 0 HB3 ALA A2680 -7.353 -0.441 3.316 1.00 0.00 H new ATOM 818 N VAL A2681 -4.189 0.076 2.301 1.00 0.00 N ATOM 819 CA VAL A2681 -2.914 -0.635 2.353 1.00 0.00 C ATOM 820 C VAL A2681 -2.810 -1.546 3.572 1.00 0.00 C ATOM 821 O VAL A2681 -3.257 -1.192 4.660 1.00 0.00 O ATOM 822 CB VAL A2681 -1.745 0.363 2.398 1.00 0.00 C ATOM 823 CG1 VAL A2681 -0.423 -0.357 2.226 1.00 0.00 C ATOM 824 CG2 VAL A2681 -1.919 1.442 1.339 1.00 0.00 C ATOM 0 H VAL A2681 -4.222 0.931 2.856 1.00 0.00 H new ATOM 0 HA VAL A2681 -2.864 -1.247 1.452 1.00 0.00 H new ATOM 0 HB VAL A2681 -1.743 0.847 3.375 1.00 0.00 H new ATOM 0 HG11 VAL A2681 0.392 0.366 2.261 1.00 0.00 H new ATOM 0 HG12 VAL A2681 -0.298 -1.084 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A2681 -0.411 -0.871 1.265 1.00 0.00 H new ATOM 0 HG21 VAL A2681 -1.082 2.138 1.388 1.00 0.00 H new ATOM 0 HG22 VAL A2681 -1.951 0.981 0.352 1.00 0.00 H new ATOM 0 HG23 VAL A2681 -2.849 1.981 1.518 1.00 0.00 H new ATOM 834 N ALA A2682 -2.226 -2.731 3.382 1.00 0.00 N ATOM 835 CA ALA A2682 -2.081 -3.695 4.472 1.00 0.00 C ATOM 836 C ALA A2682 -1.450 -3.058 5.717 1.00 0.00 C ATOM 837 O ALA A2682 -0.720 -2.071 5.626 1.00 0.00 O ATOM 838 CB ALA A2682 -1.258 -4.888 4.011 1.00 0.00 C ATOM 0 H ALA A2682 -1.848 -3.044 2.488 1.00 0.00 H new ATOM 0 HA ALA A2682 -3.079 -4.034 4.749 1.00 0.00 H new ATOM 0 HB1 ALA A2682 -1.157 -5.599 4.831 1.00 0.00 H new ATOM 0 HB2 ALA A2682 -1.757 -5.371 3.171 1.00 0.00 H new ATOM 0 HB3 ALA A2682 -0.270 -4.550 3.700 1.00 0.00 H new ATOM 844 N PRO A2683 -1.745 -3.624 6.906 1.00 0.00 N ATOM 845 CA PRO A2683 -1.242 -3.128 8.198 1.00 0.00 C ATOM 846 C PRO A2683 0.272 -2.915 8.228 1.00 0.00 C ATOM 847 O PRO A2683 0.743 -1.824 8.538 1.00 0.00 O ATOM 848 CB PRO A2683 -1.640 -4.233 9.193 1.00 0.00 C ATOM 849 CG PRO A2683 -2.073 -5.389 8.354 1.00 0.00 C ATOM 850 CD PRO A2683 -2.611 -4.791 7.091 1.00 0.00 C ATOM 0 HA PRO A2683 -1.660 -2.147 8.425 1.00 0.00 H new ATOM 0 HB2 PRO A2683 -0.801 -4.505 9.833 1.00 0.00 H new ATOM 0 HB3 PRO A2683 -2.445 -3.900 9.848 1.00 0.00 H new ATOM 0 HG2 PRO A2683 -1.237 -6.057 8.146 1.00 0.00 H new ATOM 0 HG3 PRO A2683 -2.834 -5.980 8.863 1.00 0.00 H new ATOM 0 HD2 PRO A2683 -2.545 -5.484 6.252 1.00 0.00 H new ATOM 0 HD3 PRO A2683 -3.659 -4.508 7.189 1.00 0.00 H new ATOM 858 N ASP A2684 1.030 -3.961 7.908 1.00 0.00 N ATOM 859 CA ASP A2684 2.491 -3.874 7.908 1.00 0.00 C ATOM 860 C ASP A2684 2.967 -2.913 6.826 1.00 0.00 C ATOM 861 O ASP A2684 4.102 -2.401 6.853 1.00 0.00 O ATOM 862 CB ASP A2684 3.102 -5.257 7.682 1.00 0.00 C ATOM 863 CG ASP A2684 2.767 -6.225 8.800 1.00 0.00 C ATOM 864 OD1 ASP A2684 1.589 -6.626 8.904 1.00 0.00 O ATOM 865 OD2 ASP A2684 3.682 -6.582 9.571 1.00 0.00 O ATOM 0 H ASP A2684 0.661 -4.875 7.646 1.00 0.00 H new ATOM 0 HA ASP A2684 2.815 -3.497 8.878 1.00 0.00 H new ATOM 0 HB2 ASP A2684 2.742 -5.660 6.735 1.00 0.00 H new ATOM 0 HB3 ASP A2684 4.185 -5.164 7.598 1.00 0.00 H new ATOM 870 N TRP A2685 2.072 -2.619 5.901 1.00 0.00 N ATOM 871 CA TRP A2685 2.375 -1.696 4.845 1.00 0.00 C ATOM 872 C TRP A2685 2.004 -0.285 5.273 1.00 0.00 C ATOM 873 O TRP A2685 2.414 0.685 4.658 1.00 0.00 O ATOM 874 CB TRP A2685 1.685 -2.133 3.560 1.00 0.00 C ATOM 875 CG TRP A2685 2.374 -3.311 2.950 1.00 0.00 C ATOM 876 CD1 TRP A2685 2.016 -4.625 3.061 1.00 0.00 C ATOM 877 CD2 TRP A2685 3.566 -3.284 2.161 1.00 0.00 C ATOM 878 NE1 TRP A2685 2.910 -5.413 2.383 1.00 0.00 N ATOM 879 CE2 TRP A2685 3.870 -4.616 1.821 1.00 0.00 C ATOM 880 CE3 TRP A2685 4.404 -2.263 1.705 1.00 0.00 C ATOM 881 CZ2 TRP A2685 4.977 -4.951 1.047 1.00 0.00 C ATOM 882 CZ3 TRP A2685 5.502 -2.598 0.937 1.00 0.00 C ATOM 883 CH2 TRP A2685 5.779 -3.932 0.616 1.00 0.00 C ATOM 0 H TRP A2685 1.131 -3.011 5.867 1.00 0.00 H new ATOM 0 HA TRP A2685 3.446 -1.693 4.641 1.00 0.00 H new ATOM 0 HB2 TRP A2685 0.645 -2.385 3.770 1.00 0.00 H new ATOM 0 HB3 TRP A2685 1.675 -1.306 2.850 1.00 0.00 H new ATOM 0 HD1 TRP A2685 1.156 -4.989 3.603 1.00 0.00 H new ATOM 0 HE1 TRP A2685 2.867 -6.429 2.309 1.00 0.00 H new ATOM 0 HE3 TRP A2685 4.197 -1.231 1.949 1.00 0.00 H new ATOM 0 HZ2 TRP A2685 5.194 -5.979 0.796 1.00 0.00 H new ATOM 0 HZ3 TRP A2685 6.157 -1.818 0.578 1.00 0.00 H new ATOM 0 HH2 TRP A2685 6.646 -4.161 0.014 1.00 0.00 H new ATOM 894 N THR A2686 1.277 -0.175 6.383 1.00 0.00 N ATOM 895 CA THR A2686 0.935 1.126 6.923 1.00 0.00 C ATOM 896 C THR A2686 2.230 1.781 7.380 1.00 0.00 C ATOM 897 O THR A2686 2.478 2.962 7.131 1.00 0.00 O ATOM 898 CB THR A2686 -0.054 0.995 8.096 1.00 0.00 C ATOM 899 OG1 THR A2686 -0.843 2.163 8.228 1.00 0.00 O ATOM 900 CG2 THR A2686 0.601 0.767 9.438 1.00 0.00 C ATOM 0 H THR A2686 0.919 -0.967 6.917 1.00 0.00 H new ATOM 0 HA THR A2686 0.445 1.734 6.163 1.00 0.00 H new ATOM 0 HB THR A2686 -0.652 0.120 7.842 1.00 0.00 H new ATOM 0 HG1 THR A2686 -1.464 2.055 8.978 1.00 0.00 H new ATOM 0 HG21 THR A2686 -0.166 0.686 10.208 1.00 0.00 H new ATOM 0 HG22 THR A2686 1.183 -0.154 9.407 1.00 0.00 H new ATOM 0 HG23 THR A2686 1.260 1.604 9.668 1.00 0.00 H new ATOM 908 N ASP A2687 3.065 0.974 8.038 1.00 0.00 N ATOM 909 CA ASP A2687 4.353 1.433 8.522 1.00 0.00 C ATOM 910 C ASP A2687 5.330 1.558 7.363 1.00 0.00 C ATOM 911 O ASP A2687 5.954 2.607 7.187 1.00 0.00 O ATOM 912 CB ASP A2687 4.905 0.467 9.573 1.00 0.00 C ATOM 913 CG ASP A2687 4.551 0.885 10.987 1.00 0.00 C ATOM 914 OD1 ASP A2687 5.315 1.672 11.583 1.00 0.00 O ATOM 915 OD2 ASP A2687 3.509 0.423 11.500 1.00 0.00 O ATOM 0 H ASP A2687 2.864 -0.004 8.245 1.00 0.00 H new ATOM 0 HA ASP A2687 4.223 2.411 8.984 1.00 0.00 H new ATOM 0 HB2 ASP A2687 4.514 -0.533 9.384 1.00 0.00 H new ATOM 0 HB3 ASP A2687 5.989 0.409 9.475 1.00 0.00 H new ATOM 920 N ILE A2688 5.459 0.500 6.551 1.00 0.00 N ATOM 921 CA ILE A2688 6.365 0.561 5.408 1.00 0.00 C ATOM 922 C ILE A2688 5.997 1.734 4.499 1.00 0.00 C ATOM 923 O ILE A2688 6.828 2.594 4.203 1.00 0.00 O ATOM 924 CB ILE A2688 6.341 -0.749 4.592 1.00 0.00 C ATOM 925 CG1 ILE A2688 6.744 -1.933 5.472 1.00 0.00 C ATOM 926 CG2 ILE A2688 7.266 -0.647 3.385 1.00 0.00 C ATOM 927 CD1 ILE A2688 6.436 -3.280 4.853 1.00 0.00 C ATOM 0 H ILE A2688 4.961 -0.383 6.663 1.00 0.00 H new ATOM 0 HA ILE A2688 7.373 0.703 5.799 1.00 0.00 H new ATOM 0 HB ILE A2688 5.324 -0.911 4.234 1.00 0.00 H new ATOM 0 HG12 ILE A2688 7.812 -1.874 5.680 1.00 0.00 H new ATOM 0 HG13 ILE A2688 6.228 -1.856 6.429 1.00 0.00 H new ATOM 0 HG21 ILE A2688 7.235 -1.580 2.823 1.00 0.00 H new ATOM 0 HG22 ILE A2688 6.940 0.173 2.745 1.00 0.00 H new ATOM 0 HG23 ILE A2688 8.285 -0.461 3.723 1.00 0.00 H new ATOM 0 HD11 ILE A2688 6.749 -4.073 5.533 1.00 0.00 H new ATOM 0 HD12 ILE A2688 5.364 -3.360 4.671 1.00 0.00 H new ATOM 0 HD13 ILE A2688 6.973 -3.378 3.910 1.00 0.00 H new ATOM 939 N VAL A2689 4.738 1.766 4.069 1.00 0.00 N ATOM 940 CA VAL A2689 4.253 2.835 3.205 1.00 0.00 C ATOM 941 C VAL A2689 4.475 4.196 3.855 1.00 0.00 C ATOM 942 O VAL A2689 4.884 5.149 3.194 1.00 0.00 O ATOM 943 CB VAL A2689 2.762 2.659 2.851 1.00 0.00 C ATOM 944 CG1 VAL A2689 2.263 3.830 2.017 1.00 0.00 C ATOM 945 CG2 VAL A2689 2.546 1.348 2.110 1.00 0.00 C ATOM 0 H VAL A2689 4.037 1.064 4.305 1.00 0.00 H new ATOM 0 HA VAL A2689 4.826 2.782 2.279 1.00 0.00 H new ATOM 0 HB VAL A2689 2.190 2.634 3.779 1.00 0.00 H new ATOM 0 HG11 VAL A2689 1.209 3.684 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A2689 2.383 4.755 2.580 1.00 0.00 H new ATOM 0 HG13 VAL A2689 2.838 3.890 1.093 1.00 0.00 H new ATOM 0 HG21 VAL A2689 1.489 1.237 1.867 1.00 0.00 H new ATOM 0 HG22 VAL A2689 3.132 1.349 1.191 1.00 0.00 H new ATOM 0 HG23 VAL A2689 2.862 0.517 2.741 1.00 0.00 H new ATOM 955 N LYS A2690 4.218 4.293 5.156 1.00 0.00 N ATOM 956 CA LYS A2690 4.421 5.552 5.858 1.00 0.00 C ATOM 957 C LYS A2690 5.833 6.071 5.588 1.00 0.00 C ATOM 958 O LYS A2690 6.020 7.226 5.202 1.00 0.00 O ATOM 959 CB LYS A2690 4.201 5.376 7.363 1.00 0.00 C ATOM 960 CG LYS A2690 2.863 5.907 7.850 1.00 0.00 C ATOM 961 CD LYS A2690 2.458 5.269 9.169 1.00 0.00 C ATOM 962 CE LYS A2690 1.542 6.180 9.971 1.00 0.00 C ATOM 963 NZ LYS A2690 2.304 7.221 10.715 1.00 0.00 N ATOM 0 H LYS A2690 3.874 3.528 5.736 1.00 0.00 H new ATOM 0 HA LYS A2690 3.695 6.277 5.491 1.00 0.00 H new ATOM 0 HB2 LYS A2690 4.274 4.317 7.611 1.00 0.00 H new ATOM 0 HB3 LYS A2690 5.001 5.885 7.900 1.00 0.00 H new ATOM 0 HG2 LYS A2690 2.922 6.989 7.971 1.00 0.00 H new ATOM 0 HG3 LYS A2690 2.097 5.711 7.099 1.00 0.00 H new ATOM 0 HD2 LYS A2690 1.953 4.322 8.977 1.00 0.00 H new ATOM 0 HD3 LYS A2690 3.350 5.042 9.753 1.00 0.00 H new ATOM 0 HE2 LYS A2690 0.831 6.661 9.300 1.00 0.00 H new ATOM 0 HE3 LYS A2690 0.962 5.583 10.675 1.00 0.00 H new ATOM 0 HZ1 LYS A2690 1.643 7.821 11.248 1.00 0.00 H new ATOM 0 HZ2 LYS A2690 2.965 6.763 11.374 1.00 0.00 H new ATOM 0 HZ3 LYS A2690 2.838 7.808 10.042 1.00 0.00 H new ATOM 977 N GLN A2691 6.818 5.191 5.756 1.00 0.00 N ATOM 978 CA GLN A2691 8.217 5.521 5.496 1.00 0.00 C ATOM 979 C GLN A2691 8.506 5.584 3.992 1.00 0.00 C ATOM 980 O GLN A2691 9.540 6.099 3.568 1.00 0.00 O ATOM 981 CB GLN A2691 9.130 4.485 6.154 1.00 0.00 C ATOM 982 CG GLN A2691 9.198 4.608 7.668 1.00 0.00 C ATOM 983 CD GLN A2691 8.288 3.622 8.375 1.00 0.00 C ATOM 984 OE1 GLN A2691 7.349 4.013 9.068 1.00 0.00 O ATOM 985 NE2 GLN A2691 8.562 2.334 8.203 1.00 0.00 N ATOM 0 H GLN A2691 6.670 4.233 6.075 1.00 0.00 H new ATOM 0 HA GLN A2691 8.414 6.505 5.922 1.00 0.00 H new ATOM 0 HB2 GLN A2691 8.779 3.486 5.894 1.00 0.00 H new ATOM 0 HB3 GLN A2691 10.135 4.586 5.744 1.00 0.00 H new ATOM 0 HG2 GLN A2691 10.225 4.448 7.996 1.00 0.00 H new ATOM 0 HG3 GLN A2691 8.925 5.622 7.959 1.00 0.00 H new ATOM 0 HE21 GLN A2691 9.351 2.054 7.620 1.00 0.00 H new ATOM 0 HE22 GLN A2691 7.984 1.625 8.654 1.00 0.00 H new ATOM 994 N SER A2692 7.588 5.033 3.196 1.00 0.00 N ATOM 995 CA SER A2692 7.729 4.992 1.738 1.00 0.00 C ATOM 996 C SER A2692 8.151 6.329 1.148 1.00 0.00 C ATOM 997 O SER A2692 8.930 6.379 0.198 1.00 0.00 O ATOM 998 CB SER A2692 6.402 4.571 1.094 1.00 0.00 C ATOM 999 OG SER A2692 5.625 5.707 0.691 1.00 0.00 O ATOM 0 H SER A2692 6.729 4.604 3.541 1.00 0.00 H new ATOM 0 HA SER A2692 8.514 4.266 1.523 1.00 0.00 H new ATOM 0 HB2 SER A2692 6.602 3.941 0.228 1.00 0.00 H new ATOM 0 HB3 SER A2692 5.829 3.970 1.800 1.00 0.00 H new ATOM 0 HG SER A2692 5.046 5.986 1.431 1.00 0.00 H new ATOM 1005 N GLY A2693 7.623 7.407 1.695 1.00 0.00 N ATOM 1006 CA GLY A2693 7.947 8.717 1.174 1.00 0.00 C ATOM 1007 C GLY A2693 7.222 9.006 -0.136 1.00 0.00 C ATOM 1008 O GLY A2693 7.159 10.156 -0.569 1.00 0.00 O ATOM 0 H GLY A2693 6.979 7.402 2.486 1.00 0.00 H new ATOM 0 HA2 GLY A2693 7.682 9.476 1.910 1.00 0.00 H new ATOM 0 HA3 GLY A2693 9.023 8.788 1.016 1.00 0.00 H new ATOM 1012 N PHE A2694 6.663 7.962 -0.766 1.00 0.00 N ATOM 1013 CA PHE A2694 5.936 8.134 -2.019 1.00 0.00 C ATOM 1014 C PHE A2694 4.492 8.492 -1.751 1.00 0.00 C ATOM 1015 O PHE A2694 3.855 9.158 -2.567 1.00 0.00 O ATOM 1016 CB PHE A2694 5.962 6.868 -2.884 1.00 0.00 C ATOM 1017 CG PHE A2694 7.274 6.158 -2.899 1.00 0.00 C ATOM 1018 CD1 PHE A2694 8.169 6.325 -3.943 1.00 0.00 C ATOM 1019 CD2 PHE A2694 7.610 5.320 -1.861 1.00 0.00 C ATOM 1020 CE1 PHE A2694 9.379 5.665 -3.939 1.00 0.00 C ATOM 1021 CE2 PHE A2694 8.814 4.655 -1.850 1.00 0.00 C ATOM 1022 CZ PHE A2694 9.700 4.829 -2.888 1.00 0.00 C ATOM 0 H PHE A2694 6.703 7.001 -0.427 1.00 0.00 H new ATOM 0 HA PHE A2694 6.437 8.939 -2.557 1.00 0.00 H new ATOM 0 HB2 PHE A2694 5.195 6.181 -2.525 1.00 0.00 H new ATOM 0 HB3 PHE A2694 5.696 7.136 -3.907 1.00 0.00 H new ATOM 0 HD1 PHE A2694 7.917 6.977 -4.766 1.00 0.00 H new ATOM 0 HD2 PHE A2694 6.918 5.182 -1.043 1.00 0.00 H new ATOM 0 HE1 PHE A2694 10.073 5.801 -4.755 1.00 0.00 H new ATOM 0 HE2 PHE A2694 9.063 3.999 -1.029 1.00 0.00 H new ATOM 0 HZ PHE A2694 10.648 4.311 -2.881 1.00 0.00 H new ATOM 1032 N VAL A2695 3.960 8.061 -0.609 1.00 0.00 N ATOM 1033 CA VAL A2695 2.574 8.367 -0.278 1.00 0.00 C ATOM 1034 C VAL A2695 2.488 9.527 0.713 1.00 0.00 C ATOM 1035 O VAL A2695 3.244 9.579 1.682 1.00 0.00 O ATOM 1036 CB VAL A2695 1.860 7.140 0.321 1.00 0.00 C ATOM 1037 CG1 VAL A2695 0.388 7.436 0.553 1.00 0.00 C ATOM 1038 CG2 VAL A2695 2.028 5.931 -0.584 1.00 0.00 C ATOM 0 H VAL A2695 4.458 7.509 0.090 1.00 0.00 H new ATOM 0 HA VAL A2695 2.079 8.650 -1.207 1.00 0.00 H new ATOM 0 HB VAL A2695 2.317 6.914 1.284 1.00 0.00 H new ATOM 0 HG11 VAL A2695 -0.098 6.557 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A2695 0.290 8.273 1.244 1.00 0.00 H new ATOM 0 HG13 VAL A2695 -0.086 7.691 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A2695 1.517 5.074 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A2695 1.599 6.147 -1.563 1.00 0.00 H new ATOM 0 HG23 VAL A2695 3.088 5.704 -0.695 1.00 0.00 H new ATOM 1048 N PRO A2696 1.556 10.473 0.489 1.00 0.00 N ATOM 1049 CA PRO A2696 1.379 11.626 1.375 1.00 0.00 C ATOM 1050 C PRO A2696 0.827 11.222 2.736 1.00 0.00 C ATOM 1051 O PRO A2696 -0.109 10.430 2.827 1.00 0.00 O ATOM 1052 CB PRO A2696 0.376 12.507 0.627 1.00 0.00 C ATOM 1053 CG PRO A2696 -0.372 11.569 -0.256 1.00 0.00 C ATOM 1054 CD PRO A2696 0.605 10.492 -0.640 1.00 0.00 C ATOM 0 HA PRO A2696 2.323 12.128 1.586 1.00 0.00 H new ATOM 0 HB2 PRO A2696 -0.294 13.018 1.318 1.00 0.00 H new ATOM 0 HB3 PRO A2696 0.883 13.278 0.046 1.00 0.00 H new ATOM 0 HG2 PRO A2696 -1.233 11.148 0.263 1.00 0.00 H new ATOM 0 HG3 PRO A2696 -0.752 12.083 -1.139 1.00 0.00 H new ATOM 0 HD2 PRO A2696 0.111 9.528 -0.766 1.00 0.00 H new ATOM 0 HD3 PRO A2696 1.104 10.720 -1.582 1.00 0.00 H new ATOM 1062 N GLU A2697 1.422 11.766 3.793 1.00 0.00 N ATOM 1063 CA GLU A2697 0.995 11.453 5.152 1.00 0.00 C ATOM 1064 C GLU A2697 -0.507 11.656 5.325 1.00 0.00 C ATOM 1065 O GLU A2697 -1.133 11.023 6.173 1.00 0.00 O ATOM 1066 CB GLU A2697 1.754 12.306 6.170 1.00 0.00 C ATOM 1067 CG GLU A2697 1.973 13.740 5.723 1.00 0.00 C ATOM 1068 CD GLU A2697 1.432 14.753 6.712 1.00 0.00 C ATOM 1069 OE1 GLU A2697 0.234 15.093 6.618 1.00 0.00 O ATOM 1070 OE2 GLU A2697 2.205 15.206 7.582 1.00 0.00 O ATOM 0 H GLU A2697 2.199 12.424 3.735 1.00 0.00 H new ATOM 0 HA GLU A2697 1.222 10.402 5.330 1.00 0.00 H new ATOM 0 HB2 GLU A2697 1.204 12.308 7.111 1.00 0.00 H new ATOM 0 HB3 GLU A2697 2.722 11.845 6.368 1.00 0.00 H new ATOM 0 HG2 GLU A2697 3.040 13.912 5.580 1.00 0.00 H new ATOM 0 HG3 GLU A2697 1.494 13.891 4.756 1.00 0.00 H new ATOM 1077 N SER A2698 -1.084 12.538 4.517 1.00 0.00 N ATOM 1078 CA SER A2698 -2.513 12.807 4.589 1.00 0.00 C ATOM 1079 C SER A2698 -3.313 11.551 4.264 1.00 0.00 C ATOM 1080 O SER A2698 -4.388 11.325 4.820 1.00 0.00 O ATOM 1081 CB SER A2698 -2.893 13.932 3.623 1.00 0.00 C ATOM 1082 OG SER A2698 -4.125 14.527 3.991 1.00 0.00 O ATOM 0 H SER A2698 -0.586 13.076 3.808 1.00 0.00 H new ATOM 0 HA SER A2698 -2.750 13.119 5.606 1.00 0.00 H new ATOM 0 HB2 SER A2698 -2.108 14.689 3.615 1.00 0.00 H new ATOM 0 HB3 SER A2698 -2.965 13.536 2.610 1.00 0.00 H new ATOM 0 HG SER A2698 -4.344 15.243 3.359 1.00 0.00 H new ATOM 1088 N MET A2699 -2.781 10.736 3.360 1.00 0.00 N ATOM 1089 CA MET A2699 -3.445 9.502 2.958 1.00 0.00 C ATOM 1090 C MET A2699 -3.076 8.339 3.879 1.00 0.00 C ATOM 1091 O MET A2699 -3.563 7.223 3.700 1.00 0.00 O ATOM 1092 CB MET A2699 -3.088 9.153 1.513 1.00 0.00 C ATOM 1093 CG MET A2699 -4.193 9.476 0.521 1.00 0.00 C ATOM 1094 SD MET A2699 -4.526 8.121 -0.621 1.00 0.00 S ATOM 1095 CE MET A2699 -3.382 8.504 -1.944 1.00 0.00 C ATOM 0 H MET A2699 -1.891 10.908 2.892 1.00 0.00 H new ATOM 0 HA MET A2699 -4.520 9.667 3.035 1.00 0.00 H new ATOM 0 HB2 MET A2699 -2.186 9.695 1.229 1.00 0.00 H new ATOM 0 HB3 MET A2699 -2.854 8.090 1.451 1.00 0.00 H new ATOM 0 HG2 MET A2699 -5.105 9.718 1.066 1.00 0.00 H new ATOM 0 HG3 MET A2699 -3.917 10.364 -0.047 1.00 0.00 H new ATOM 0 HE1 MET A2699 -3.624 7.902 -2.820 1.00 0.00 H new ATOM 0 HE2 MET A2699 -3.460 9.561 -2.198 1.00 0.00 H new ATOM 0 HE3 MET A2699 -2.365 8.282 -1.621 1.00 0.00 H new ATOM 1105 N PHE A2700 -2.222 8.599 4.868 1.00 0.00 N ATOM 1106 CA PHE A2700 -1.814 7.559 5.810 1.00 0.00 C ATOM 1107 C PHE A2700 -3.026 6.968 6.531 1.00 0.00 C ATOM 1108 O PHE A2700 -2.948 5.880 7.102 1.00 0.00 O ATOM 1109 CB PHE A2700 -0.821 8.120 6.835 1.00 0.00 C ATOM 1110 CG PHE A2700 0.585 8.300 6.317 1.00 0.00 C ATOM 1111 CD1 PHE A2700 0.942 7.895 5.036 1.00 0.00 C ATOM 1112 CD2 PHE A2700 1.557 8.880 7.120 1.00 0.00 C ATOM 1113 CE1 PHE A2700 2.233 8.063 4.574 1.00 0.00 C ATOM 1114 CE2 PHE A2700 2.848 9.051 6.661 1.00 0.00 C ATOM 1115 CZ PHE A2700 3.187 8.642 5.386 1.00 0.00 C ATOM 0 H PHE A2700 -1.802 9.513 5.037 1.00 0.00 H new ATOM 0 HA PHE A2700 -1.327 6.766 5.242 1.00 0.00 H new ATOM 0 HB2 PHE A2700 -1.190 9.083 7.188 1.00 0.00 H new ATOM 0 HB3 PHE A2700 -0.794 7.453 7.697 1.00 0.00 H new ATOM 0 HD1 PHE A2700 0.201 7.443 4.394 1.00 0.00 H new ATOM 0 HD2 PHE A2700 1.300 9.202 8.118 1.00 0.00 H new ATOM 0 HE1 PHE A2700 2.496 7.741 3.577 1.00 0.00 H new ATOM 0 HE2 PHE A2700 3.592 9.504 7.299 1.00 0.00 H new ATOM 0 HZ PHE A2700 4.196 8.775 5.025 1.00 0.00 H new