USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=9 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= -3.2 K(o=-9.7,f=-16!) USER MOD Set 1.2: A2654 ASN : amide:sc= -6.49 K(o=-9.7,f=-16!) USER MOD Single : A2639 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2640 THR OG1 : rot 12:sc= -0.206 USER MOD Single : A2642 THR OG1 : rot 180:sc= 0 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 139:sc= -0.436 (180deg=-2.68!) USER MOD Single : A2666 MET CE :methyl 177:sc= -6.61! (180deg=-6.9!) USER MOD Single : A2667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2676 ASN : amide:sc= -0.816 X(o=-0.82,f=-1.1) USER MOD Single : A2686 THR OG1 : rot 43:sc= 0.33 USER MOD Single : A2690 LYS NZ :NH3+ -159:sc= -0.0205 (180deg=-0.196) USER MOD Single : A2691 GLN : amide:sc= -1.83 X(o=-1.8,f=-1.8) USER MOD Single : A2692 SER OG : rot -92:sc= 0.796 USER MOD Single : A2698 SER OG : rot 180:sc= 0 USER MOD Single : A2699 MET CE :methyl 144:sc= -4.14! (180deg=-6.24!) USER MOD ----------------------------------------------------------------- ATOM 140 N ILE A2638 11.786 -4.682 3.338 1.00 0.00 N ATOM 141 CA ILE A2638 11.220 -3.351 3.215 1.00 0.00 C ATOM 142 C ILE A2638 12.139 -2.388 2.461 1.00 0.00 C ATOM 143 O ILE A2638 11.736 -1.278 2.139 1.00 0.00 O ATOM 144 CB ILE A2638 10.892 -2.763 4.598 1.00 0.00 C ATOM 145 CG1 ILE A2638 12.065 -2.961 5.562 1.00 0.00 C ATOM 146 CG2 ILE A2638 9.625 -3.400 5.155 1.00 0.00 C ATOM 147 CD1 ILE A2638 12.157 -1.894 6.631 1.00 0.00 C ATOM 0 HA ILE A2638 10.303 -3.463 2.636 1.00 0.00 H new ATOM 0 HB ILE A2638 10.722 -1.692 4.487 1.00 0.00 H new ATOM 0 HG12 ILE A2638 11.971 -3.936 6.041 1.00 0.00 H new ATOM 0 HG13 ILE A2638 12.994 -2.974 4.992 1.00 0.00 H new ATOM 0 HG21 ILE A2638 9.404 -2.975 6.134 1.00 0.00 H new ATOM 0 HG22 ILE A2638 8.792 -3.206 4.479 1.00 0.00 H new ATOM 0 HG23 ILE A2638 9.771 -4.476 5.251 1.00 0.00 H new ATOM 0 HD11 ILE A2638 13.011 -2.099 7.277 1.00 0.00 H new ATOM 0 HD12 ILE A2638 12.283 -0.918 6.161 1.00 0.00 H new ATOM 0 HD13 ILE A2638 11.244 -1.895 7.226 1.00 0.00 H new ATOM 159 N ASN A2639 13.379 -2.786 2.195 1.00 0.00 N ATOM 160 CA ASN A2639 14.313 -1.906 1.496 1.00 0.00 C ATOM 161 C ASN A2639 13.968 -1.749 0.011 1.00 0.00 C ATOM 162 O ASN A2639 14.454 -0.828 -0.645 1.00 0.00 O ATOM 163 CB ASN A2639 15.739 -2.441 1.640 1.00 0.00 C ATOM 164 CG ASN A2639 16.326 -2.157 3.008 1.00 0.00 C ATOM 165 OD1 ASN A2639 16.919 -1.102 3.235 1.00 0.00 O ATOM 166 ND2 ASN A2639 16.164 -3.101 3.927 1.00 0.00 N ATOM 0 H ASN A2639 13.758 -3.699 2.448 1.00 0.00 H new ATOM 0 HA ASN A2639 14.234 -0.921 1.956 1.00 0.00 H new ATOM 0 HB2 ASN A2639 15.740 -3.517 1.463 1.00 0.00 H new ATOM 0 HB3 ASN A2639 16.372 -1.991 0.875 1.00 0.00 H new ATOM 0 HD21 ASN A2639 16.538 -2.968 4.867 1.00 0.00 H new ATOM 0 HD22 ASN A2639 15.665 -3.960 3.694 1.00 0.00 H new ATOM 173 N THR A2640 13.152 -2.656 -0.525 1.00 0.00 N ATOM 174 CA THR A2640 12.785 -2.602 -1.942 1.00 0.00 C ATOM 175 C THR A2640 11.689 -1.566 -2.228 1.00 0.00 C ATOM 176 O THR A2640 11.152 -1.499 -3.352 1.00 0.00 O ATOM 177 CB THR A2640 12.358 -3.984 -2.442 1.00 0.00 C ATOM 178 OG1 THR A2640 11.712 -3.887 -3.698 1.00 0.00 O ATOM 179 CG2 THR A2640 11.425 -4.705 -1.499 1.00 0.00 C ATOM 0 H THR A2640 12.736 -3.430 -0.007 1.00 0.00 H new ATOM 0 HA THR A2640 13.674 -2.285 -2.486 1.00 0.00 H new ATOM 0 HB THR A2640 13.282 -4.558 -2.516 1.00 0.00 H new ATOM 0 HG1 THR A2640 11.838 -2.986 -4.062 1.00 0.00 H new ATOM 0 HG21 THR A2640 11.164 -5.677 -1.918 1.00 0.00 H new ATOM 0 HG22 THR A2640 11.917 -4.845 -0.536 1.00 0.00 H new ATOM 0 HG23 THR A2640 10.519 -4.115 -1.361 1.00 0.00 H new ATOM 187 N LEU A2641 11.344 -0.744 -1.236 1.00 0.00 N ATOM 188 CA LEU A2641 10.330 0.272 -1.434 1.00 0.00 C ATOM 189 C LEU A2641 10.913 1.487 -2.135 1.00 0.00 C ATOM 190 O LEU A2641 10.398 2.590 -1.990 1.00 0.00 O ATOM 191 CB LEU A2641 9.732 0.714 -0.104 1.00 0.00 C ATOM 192 CG LEU A2641 9.472 -0.395 0.905 1.00 0.00 C ATOM 193 CD1 LEU A2641 9.574 0.160 2.318 1.00 0.00 C ATOM 194 CD2 LEU A2641 8.108 -1.022 0.668 1.00 0.00 C ATOM 0 H LEU A2641 11.751 -0.767 -0.301 1.00 0.00 H new ATOM 0 HA LEU A2641 9.548 -0.168 -2.054 1.00 0.00 H new ATOM 0 HB2 LEU A2641 10.403 1.443 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A2641 8.791 1.227 -0.303 1.00 0.00 H new ATOM 0 HG LEU A2641 10.225 -1.173 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A2641 9.387 -0.638 3.037 1.00 0.00 H new ATOM 0 HD12 LEU A2641 10.573 0.566 2.478 1.00 0.00 H new ATOM 0 HD13 LEU A2641 8.835 0.950 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A2641 7.939 -1.813 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A2641 7.335 -0.261 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A2641 8.070 -1.442 -0.337 1.00 0.00 H new ATOM 206 N THR A2642 11.976 1.294 -2.905 1.00 0.00 N ATOM 207 CA THR A2642 12.591 2.396 -3.626 1.00 0.00 C ATOM 208 C THR A2642 11.685 2.861 -4.765 1.00 0.00 C ATOM 209 O THR A2642 12.131 3.551 -5.681 1.00 0.00 O ATOM 210 CB THR A2642 13.954 1.974 -4.180 1.00 0.00 C ATOM 211 OG1 THR A2642 14.672 1.220 -3.220 1.00 0.00 O ATOM 212 CG2 THR A2642 14.824 3.143 -4.587 1.00 0.00 C ATOM 0 H THR A2642 12.427 0.390 -3.045 1.00 0.00 H new ATOM 0 HA THR A2642 12.734 3.224 -2.932 1.00 0.00 H new ATOM 0 HB THR A2642 13.734 1.380 -5.067 1.00 0.00 H new ATOM 0 HG1 THR A2642 15.540 0.958 -3.592 1.00 0.00 H new ATOM 0 HG21 THR A2642 15.775 2.773 -4.971 1.00 0.00 H new ATOM 0 HG22 THR A2642 14.320 3.719 -5.362 1.00 0.00 H new ATOM 0 HG23 THR A2642 15.005 3.780 -3.721 1.00 0.00 H new ATOM 220 N GLY A2643 10.411 2.466 -4.709 1.00 0.00 N ATOM 221 CA GLY A2643 9.472 2.836 -5.741 1.00 0.00 C ATOM 222 C GLY A2643 8.988 1.624 -6.504 1.00 0.00 C ATOM 223 O GLY A2643 7.891 1.632 -7.067 1.00 0.00 O ATOM 0 H GLY A2643 10.019 1.894 -3.961 1.00 0.00 H new ATOM 0 HA2 GLY A2643 8.621 3.350 -5.294 1.00 0.00 H new ATOM 0 HA3 GLY A2643 9.943 3.538 -6.430 1.00 0.00 H new ATOM 227 N GLU A2644 9.833 0.588 -6.528 1.00 0.00 N ATOM 228 CA GLU A2644 9.545 -0.651 -7.241 1.00 0.00 C ATOM 229 C GLU A2644 8.731 -1.663 -6.428 1.00 0.00 C ATOM 230 O GLU A2644 8.061 -2.514 -7.015 1.00 0.00 O ATOM 231 CB GLU A2644 10.855 -1.299 -7.686 1.00 0.00 C ATOM 232 CG GLU A2644 11.142 -1.136 -9.170 1.00 0.00 C ATOM 233 CD GLU A2644 12.621 -1.228 -9.491 1.00 0.00 C ATOM 234 OE1 GLU A2644 13.221 -0.186 -9.827 1.00 0.00 O ATOM 235 OE2 GLU A2644 13.180 -2.342 -9.406 1.00 0.00 O ATOM 0 H GLU A2644 10.735 0.589 -6.052 1.00 0.00 H new ATOM 0 HA GLU A2644 8.929 -0.375 -8.097 1.00 0.00 H new ATOM 0 HB2 GLU A2644 11.677 -0.866 -7.116 1.00 0.00 H new ATOM 0 HB3 GLU A2644 10.825 -2.362 -7.445 1.00 0.00 H new ATOM 0 HG2 GLU A2644 10.605 -1.904 -9.727 1.00 0.00 H new ATOM 0 HG3 GLU A2644 10.760 -0.172 -9.507 1.00 0.00 H new ATOM 242 N GLU A2645 8.760 -1.591 -5.095 1.00 0.00 N ATOM 243 CA GLU A2645 7.986 -2.536 -4.285 1.00 0.00 C ATOM 244 C GLU A2645 6.514 -2.575 -4.703 1.00 0.00 C ATOM 245 O GLU A2645 5.990 -1.617 -5.269 1.00 0.00 O ATOM 246 CB GLU A2645 8.073 -2.158 -2.807 1.00 0.00 C ATOM 247 CG GLU A2645 9.054 -3.006 -2.024 1.00 0.00 C ATOM 248 CD GLU A2645 8.452 -4.320 -1.573 1.00 0.00 C ATOM 249 OE1 GLU A2645 7.573 -4.846 -2.288 1.00 0.00 O ATOM 250 OE2 GLU A2645 8.857 -4.824 -0.504 1.00 0.00 O ATOM 0 H GLU A2645 9.297 -0.906 -4.563 1.00 0.00 H new ATOM 0 HA GLU A2645 8.416 -3.525 -4.446 1.00 0.00 H new ATOM 0 HB2 GLU A2645 8.363 -1.111 -2.724 1.00 0.00 H new ATOM 0 HB3 GLU A2645 7.084 -2.251 -2.357 1.00 0.00 H new ATOM 0 HG2 GLU A2645 9.931 -3.204 -2.640 1.00 0.00 H new ATOM 0 HG3 GLU A2645 9.396 -2.448 -1.152 1.00 0.00 H new ATOM 257 N ARG A2646 5.856 -3.695 -4.399 1.00 0.00 N ATOM 258 CA ARG A2646 4.439 -3.876 -4.718 1.00 0.00 C ATOM 259 C ARG A2646 3.609 -3.916 -3.435 1.00 0.00 C ATOM 260 O ARG A2646 3.466 -4.965 -2.808 1.00 0.00 O ATOM 261 CB ARG A2646 4.234 -5.166 -5.516 1.00 0.00 C ATOM 262 CG ARG A2646 4.799 -5.102 -6.924 1.00 0.00 C ATOM 263 CD ARG A2646 6.194 -5.703 -6.993 1.00 0.00 C ATOM 264 NE ARG A2646 6.156 -7.161 -7.076 1.00 0.00 N ATOM 265 CZ ARG A2646 7.202 -7.911 -7.412 1.00 0.00 C ATOM 266 NH1 ARG A2646 8.367 -7.345 -7.702 1.00 0.00 N ATOM 267 NH2 ARG A2646 7.083 -9.231 -7.461 1.00 0.00 N ATOM 0 H ARG A2646 6.284 -4.493 -3.930 1.00 0.00 H new ATOM 0 HA ARG A2646 4.109 -3.032 -5.325 1.00 0.00 H new ATOM 0 HB2 ARG A2646 4.702 -5.993 -4.982 1.00 0.00 H new ATOM 0 HB3 ARG A2646 3.168 -5.385 -5.570 1.00 0.00 H new ATOM 0 HG2 ARG A2646 4.138 -5.635 -7.607 1.00 0.00 H new ATOM 0 HG3 ARG A2646 4.832 -4.065 -7.257 1.00 0.00 H new ATOM 0 HD2 ARG A2646 6.719 -5.304 -7.861 1.00 0.00 H new ATOM 0 HD3 ARG A2646 6.762 -5.404 -6.112 1.00 0.00 H new ATOM 0 HE ARG A2646 5.276 -7.631 -6.864 1.00 0.00 H new ATOM 0 HH11 ARG A2646 8.463 -6.330 -7.668 1.00 0.00 H new ATOM 0 HH12 ARG A2646 9.166 -7.925 -7.959 1.00 0.00 H new ATOM 0 HH21 ARG A2646 6.189 -9.671 -7.241 1.00 0.00 H new ATOM 0 HH22 ARG A2646 7.885 -9.806 -7.719 1.00 0.00 H new ATOM 281 N VAL A2647 3.093 -2.758 -3.036 1.00 0.00 N ATOM 282 CA VAL A2647 2.310 -2.646 -1.807 1.00 0.00 C ATOM 283 C VAL A2647 0.955 -3.359 -1.898 1.00 0.00 C ATOM 284 O VAL A2647 0.201 -3.156 -2.847 1.00 0.00 O ATOM 285 CB VAL A2647 2.075 -1.171 -1.434 1.00 0.00 C ATOM 286 CG1 VAL A2647 1.288 -1.058 -0.136 1.00 0.00 C ATOM 287 CG2 VAL A2647 3.401 -0.437 -1.324 1.00 0.00 C ATOM 0 H VAL A2647 3.202 -1.881 -3.546 1.00 0.00 H new ATOM 0 HA VAL A2647 2.899 -3.137 -1.032 1.00 0.00 H new ATOM 0 HB VAL A2647 1.486 -0.707 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A2647 1.135 -0.006 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A2647 0.321 -1.548 -0.253 1.00 0.00 H new ATOM 0 HG13 VAL A2647 1.843 -1.539 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A2647 3.219 0.605 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A2647 4.013 -0.905 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A2647 3.923 -0.483 -2.280 1.00 0.00 H new ATOM 297 N PRO A2648 0.625 -4.201 -0.890 1.00 0.00 N ATOM 298 CA PRO A2648 -0.642 -4.941 -0.836 1.00 0.00 C ATOM 299 C PRO A2648 -1.831 -4.042 -0.522 1.00 0.00 C ATOM 300 O PRO A2648 -1.733 -3.130 0.302 1.00 0.00 O ATOM 301 CB PRO A2648 -0.446 -5.937 0.318 1.00 0.00 C ATOM 302 CG PRO A2648 1.002 -5.880 0.651 1.00 0.00 C ATOM 303 CD PRO A2648 1.455 -4.501 0.278 1.00 0.00 C ATOM 0 HA PRO A2648 -0.861 -5.407 -1.797 1.00 0.00 H new ATOM 0 HB2 PRO A2648 -1.057 -5.666 1.179 1.00 0.00 H new ATOM 0 HB3 PRO A2648 -0.741 -6.944 0.022 1.00 0.00 H new ATOM 0 HG2 PRO A2648 1.167 -6.072 1.711 1.00 0.00 H new ATOM 0 HG3 PRO A2648 1.560 -6.637 0.100 1.00 0.00 H new ATOM 0 HD2 PRO A2648 1.292 -3.788 1.086 1.00 0.00 H new ATOM 0 HD3 PRO A2648 2.518 -4.474 0.038 1.00 0.00 H new ATOM 311 N VAL A2649 -2.958 -4.309 -1.174 1.00 0.00 N ATOM 312 CA VAL A2649 -4.167 -3.527 -0.953 1.00 0.00 C ATOM 313 C VAL A2649 -5.344 -4.419 -0.592 1.00 0.00 C ATOM 314 O VAL A2649 -5.590 -5.435 -1.243 1.00 0.00 O ATOM 315 CB VAL A2649 -4.533 -2.696 -2.198 1.00 0.00 C ATOM 316 CG1 VAL A2649 -3.512 -1.588 -2.418 1.00 0.00 C ATOM 317 CG2 VAL A2649 -4.638 -3.591 -3.426 1.00 0.00 C ATOM 0 H VAL A2649 -3.058 -5.059 -1.858 1.00 0.00 H new ATOM 0 HA VAL A2649 -3.958 -2.854 -0.121 1.00 0.00 H new ATOM 0 HB VAL A2649 -5.506 -2.233 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL A2649 -3.786 -1.011 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A2649 -3.494 -0.932 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A2649 -2.525 -2.027 -2.563 1.00 0.00 H new ATOM 0 HG21 VAL A2649 -4.897 -2.987 -4.295 1.00 0.00 H new ATOM 0 HG22 VAL A2649 -3.682 -4.085 -3.599 1.00 0.00 H new ATOM 0 HG23 VAL A2649 -5.410 -4.343 -3.263 1.00 0.00 H new ATOM 327 N VAL A2650 -6.081 -4.026 0.443 1.00 0.00 N ATOM 328 CA VAL A2650 -7.243 -4.790 0.874 1.00 0.00 C ATOM 329 C VAL A2650 -8.509 -3.959 0.741 1.00 0.00 C ATOM 330 O VAL A2650 -8.537 -2.778 1.099 1.00 0.00 O ATOM 331 CB VAL A2650 -7.146 -5.288 2.337 1.00 0.00 C ATOM 332 CG1 VAL A2650 -7.720 -6.690 2.459 1.00 0.00 C ATOM 333 CG2 VAL A2650 -5.715 -5.253 2.859 1.00 0.00 C ATOM 0 H VAL A2650 -5.894 -3.188 0.994 1.00 0.00 H new ATOM 0 HA VAL A2650 -7.276 -5.662 0.221 1.00 0.00 H new ATOM 0 HB VAL A2650 -7.734 -4.607 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A2650 -7.644 -7.025 3.493 1.00 0.00 H new ATOM 0 HG12 VAL A2650 -8.767 -6.682 2.156 1.00 0.00 H new ATOM 0 HG13 VAL A2650 -7.161 -7.369 1.815 1.00 0.00 H new ATOM 0 HG21 VAL A2650 -5.694 -5.611 3.888 1.00 0.00 H new ATOM 0 HG22 VAL A2650 -5.086 -5.893 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A2650 -5.339 -4.230 2.823 1.00 0.00 H new ATOM 343 N ASN A2651 -9.553 -4.591 0.231 1.00 0.00 N ATOM 344 CA ASN A2651 -10.840 -3.932 0.054 1.00 0.00 C ATOM 345 C ASN A2651 -11.508 -3.726 1.405 1.00 0.00 C ATOM 346 O ASN A2651 -11.668 -4.668 2.181 1.00 0.00 O ATOM 347 CB ASN A2651 -11.754 -4.751 -0.858 1.00 0.00 C ATOM 348 CG ASN A2651 -12.975 -3.965 -1.297 1.00 0.00 C ATOM 349 OD1 ASN A2651 -13.712 -3.430 -0.470 1.00 0.00 O ATOM 350 ND2 ASN A2651 -13.199 -3.890 -2.605 1.00 0.00 N ATOM 0 H ASN A2651 -9.536 -5.565 -0.070 1.00 0.00 H new ATOM 0 HA ASN A2651 -10.666 -2.964 -0.415 1.00 0.00 H new ATOM 0 HB2 ASN A2651 -11.195 -5.072 -1.737 1.00 0.00 H new ATOM 0 HB3 ASN A2651 -12.073 -5.653 -0.336 1.00 0.00 H new ATOM 0 HD21 ASN A2651 -14.006 -3.374 -2.955 1.00 0.00 H new ATOM 0 HD22 ASN A2651 -12.564 -4.348 -3.258 1.00 0.00 H new ATOM 357 N LYS A2652 -11.873 -2.487 1.688 1.00 0.00 N ATOM 358 CA LYS A2652 -12.502 -2.147 2.956 1.00 0.00 C ATOM 359 C LYS A2652 -13.923 -2.699 3.057 1.00 0.00 C ATOM 360 O LYS A2652 -14.472 -2.807 4.153 1.00 0.00 O ATOM 361 CB LYS A2652 -12.514 -0.629 3.139 1.00 0.00 C ATOM 362 CG LYS A2652 -11.218 0.048 2.716 1.00 0.00 C ATOM 363 CD LYS A2652 -10.443 0.578 3.913 1.00 0.00 C ATOM 364 CE LYS A2652 -9.936 -0.552 4.796 1.00 0.00 C ATOM 365 NZ LYS A2652 -10.158 -0.272 6.242 1.00 0.00 N ATOM 0 H LYS A2652 -11.745 -1.697 1.056 1.00 0.00 H new ATOM 0 HA LYS A2652 -11.915 -2.608 3.751 1.00 0.00 H new ATOM 0 HB2 LYS A2652 -13.338 -0.209 2.562 1.00 0.00 H new ATOM 0 HB3 LYS A2652 -12.708 -0.400 4.187 1.00 0.00 H new ATOM 0 HG2 LYS A2652 -10.599 -0.662 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A2652 -11.442 0.869 2.035 1.00 0.00 H new ATOM 0 HD2 LYS A2652 -9.600 1.176 3.566 1.00 0.00 H new ATOM 0 HD3 LYS A2652 -11.083 1.239 4.498 1.00 0.00 H new ATOM 0 HE2 LYS A2652 -10.441 -1.479 4.524 1.00 0.00 H new ATOM 0 HE3 LYS A2652 -8.872 -0.704 4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A2652 -9.798 -1.066 6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A2652 -9.655 0.599 6.508 1.00 0.00 H new ATOM 0 HZ3 LYS A2652 -11.176 -0.152 6.420 1.00 0.00 H new ATOM 379 N ARG A2653 -14.529 -3.027 1.918 1.00 0.00 N ATOM 380 CA ARG A2653 -15.894 -3.543 1.908 1.00 0.00 C ATOM 381 C ARG A2653 -15.940 -5.069 1.820 1.00 0.00 C ATOM 382 O ARG A2653 -16.489 -5.731 2.702 1.00 0.00 O ATOM 383 CB ARG A2653 -16.668 -2.940 0.735 1.00 0.00 C ATOM 384 CG ARG A2653 -18.142 -2.708 1.031 1.00 0.00 C ATOM 385 CD ARG A2653 -18.881 -2.168 -0.183 1.00 0.00 C ATOM 386 NE ARG A2653 -19.515 -0.881 0.092 1.00 0.00 N ATOM 387 CZ ARG A2653 -18.879 0.287 0.045 1.00 0.00 C ATOM 388 NH1 ARG A2653 -17.589 0.338 -0.269 1.00 0.00 N ATOM 389 NH2 ARG A2653 -19.531 1.409 0.315 1.00 0.00 N ATOM 0 H ARG A2653 -14.099 -2.945 0.997 1.00 0.00 H new ATOM 0 HA ARG A2653 -16.355 -3.254 2.853 1.00 0.00 H new ATOM 0 HB2 ARG A2653 -16.208 -1.992 0.457 1.00 0.00 H new ATOM 0 HB3 ARG A2653 -16.579 -3.602 -0.126 1.00 0.00 H new ATOM 0 HG2 ARG A2653 -18.601 -3.644 1.350 1.00 0.00 H new ATOM 0 HG3 ARG A2653 -18.241 -2.006 1.859 1.00 0.00 H new ATOM 0 HD2 ARG A2653 -18.183 -2.059 -1.013 1.00 0.00 H new ATOM 0 HD3 ARG A2653 -19.639 -2.886 -0.496 1.00 0.00 H new ATOM 0 HE ARG A2653 -20.506 -0.877 0.335 1.00 0.00 H new ATOM 0 HH11 ARG A2653 -17.080 -0.521 -0.476 1.00 0.00 H new ATOM 0 HH12 ARG A2653 -17.108 1.237 -0.303 1.00 0.00 H new ATOM 0 HH21 ARG A2653 -20.521 1.378 0.559 1.00 0.00 H new ATOM 0 HH22 ARG A2653 -19.043 2.304 0.279 1.00 0.00 H new ATOM 403 N ASN A2654 -15.388 -5.624 0.743 1.00 0.00 N ATOM 404 CA ASN A2654 -15.403 -7.075 0.542 1.00 0.00 C ATOM 405 C ASN A2654 -14.200 -7.767 1.184 1.00 0.00 C ATOM 406 O ASN A2654 -14.206 -8.986 1.359 1.00 0.00 O ATOM 407 CB ASN A2654 -15.474 -7.425 -0.951 1.00 0.00 C ATOM 408 CG ASN A2654 -14.726 -6.446 -1.832 1.00 0.00 C ATOM 409 OD1 ASN A2654 -15.224 -5.363 -2.140 1.00 0.00 O ATOM 410 ND2 ASN A2654 -13.524 -6.826 -2.246 1.00 0.00 N ATOM 0 H ASN A2654 -14.928 -5.098 0.000 1.00 0.00 H new ATOM 0 HA ASN A2654 -16.300 -7.445 1.038 1.00 0.00 H new ATOM 0 HB2 ASN A2654 -15.066 -8.424 -1.103 1.00 0.00 H new ATOM 0 HB3 ASN A2654 -16.519 -7.457 -1.260 1.00 0.00 H new ATOM 0 HD21 ASN A2654 -12.973 -6.211 -2.845 1.00 0.00 H new ATOM 0 HD22 ASN A2654 -13.151 -7.733 -1.966 1.00 0.00 H new ATOM 417 N GLY A2655 -13.180 -6.997 1.553 1.00 0.00 N ATOM 418 CA GLY A2655 -12.013 -7.583 2.191 1.00 0.00 C ATOM 419 C GLY A2655 -11.018 -8.190 1.217 1.00 0.00 C ATOM 420 O GLY A2655 -10.023 -8.780 1.639 1.00 0.00 O ATOM 0 H GLY A2655 -13.140 -5.986 1.423 1.00 0.00 H new ATOM 0 HA2 GLY A2655 -11.509 -6.816 2.779 1.00 0.00 H new ATOM 0 HA3 GLY A2655 -12.341 -8.354 2.888 1.00 0.00 H new ATOM 424 N LYS A2656 -11.264 -8.046 -0.084 1.00 0.00 N ATOM 425 CA LYS A2656 -10.352 -8.590 -1.091 1.00 0.00 C ATOM 426 C LYS A2656 -8.921 -8.159 -0.795 1.00 0.00 C ATOM 427 O LYS A2656 -8.638 -6.971 -0.669 1.00 0.00 O ATOM 428 CB LYS A2656 -10.765 -8.129 -2.493 1.00 0.00 C ATOM 429 CG LYS A2656 -9.765 -8.495 -3.580 1.00 0.00 C ATOM 430 CD LYS A2656 -10.399 -9.361 -4.658 1.00 0.00 C ATOM 431 CE LYS A2656 -9.923 -8.963 -6.046 1.00 0.00 C ATOM 432 NZ LYS A2656 -10.819 -7.952 -6.671 1.00 0.00 N ATOM 0 H LYS A2656 -12.078 -7.563 -0.464 1.00 0.00 H new ATOM 0 HA LYS A2656 -10.405 -9.678 -1.054 1.00 0.00 H new ATOM 0 HB2 LYS A2656 -11.732 -8.568 -2.739 1.00 0.00 H new ATOM 0 HB3 LYS A2656 -10.899 -7.047 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A2656 -9.368 -7.585 -4.031 1.00 0.00 H new ATOM 0 HG3 LYS A2656 -8.922 -9.025 -3.136 1.00 0.00 H new ATOM 0 HD2 LYS A2656 -10.155 -10.408 -4.475 1.00 0.00 H new ATOM 0 HD3 LYS A2656 -11.484 -9.273 -4.605 1.00 0.00 H new ATOM 0 HE2 LYS A2656 -8.912 -8.562 -5.982 1.00 0.00 H new ATOM 0 HE3 LYS A2656 -9.875 -9.848 -6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A2656 -10.460 -7.707 -7.616 1.00 0.00 H new ATOM 0 HZ2 LYS A2656 -11.779 -8.344 -6.756 1.00 0.00 H new ATOM 0 HZ3 LYS A2656 -10.845 -7.098 -6.078 1.00 0.00 H new ATOM 446 N LYS A2657 -8.022 -9.130 -0.680 1.00 0.00 N ATOM 447 CA LYS A2657 -6.624 -8.840 -0.387 1.00 0.00 C ATOM 448 C LYS A2657 -5.721 -9.215 -1.555 1.00 0.00 C ATOM 449 O LYS A2657 -5.818 -10.312 -2.105 1.00 0.00 O ATOM 450 CB LYS A2657 -6.179 -9.588 0.872 1.00 0.00 C ATOM 451 CG LYS A2657 -4.894 -9.047 1.477 1.00 0.00 C ATOM 452 CD LYS A2657 -4.697 -9.539 2.903 1.00 0.00 C ATOM 453 CE LYS A2657 -3.618 -10.606 2.982 1.00 0.00 C ATOM 454 NZ LYS A2657 -4.094 -11.917 2.459 1.00 0.00 N ATOM 0 H LYS A2657 -8.236 -10.122 -0.785 1.00 0.00 H new ATOM 0 HA LYS A2657 -6.537 -7.766 -0.220 1.00 0.00 H new ATOM 0 HB2 LYS A2657 -6.973 -9.534 1.617 1.00 0.00 H new ATOM 0 HB3 LYS A2657 -6.041 -10.642 0.629 1.00 0.00 H new ATOM 0 HG2 LYS A2657 -4.046 -9.354 0.865 1.00 0.00 H new ATOM 0 HG3 LYS A2657 -4.917 -7.957 1.467 1.00 0.00 H new ATOM 0 HD2 LYS A2657 -4.427 -8.700 3.544 1.00 0.00 H new ATOM 0 HD3 LYS A2657 -5.636 -9.941 3.283 1.00 0.00 H new ATOM 0 HE2 LYS A2657 -2.746 -10.283 2.413 1.00 0.00 H new ATOM 0 HE3 LYS A2657 -3.298 -10.723 4.017 1.00 0.00 H new ATOM 0 HZ1 LYS A2657 -3.329 -12.618 2.530 1.00 0.00 H new ATOM 0 HZ2 LYS A2657 -4.910 -12.238 3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A2657 -4.376 -11.812 1.463 1.00 0.00 H new ATOM 468 N MET A2658 -4.844 -8.290 -1.927 1.00 0.00 N ATOM 469 CA MET A2658 -3.916 -8.510 -3.032 1.00 0.00 C ATOM 470 C MET A2658 -2.500 -8.100 -2.634 1.00 0.00 C ATOM 471 O MET A2658 -2.205 -6.912 -2.500 1.00 0.00 O ATOM 472 CB MET A2658 -4.363 -7.726 -4.271 1.00 0.00 C ATOM 473 CG MET A2658 -5.837 -7.345 -4.263 1.00 0.00 C ATOM 474 SD MET A2658 -6.562 -7.315 -5.914 1.00 0.00 S ATOM 475 CE MET A2658 -7.326 -5.694 -5.920 1.00 0.00 C ATOM 0 H MET A2658 -4.755 -7.378 -1.479 1.00 0.00 H new ATOM 0 HA MET A2658 -3.916 -9.573 -3.271 1.00 0.00 H new ATOM 0 HB2 MET A2658 -3.764 -6.819 -4.350 1.00 0.00 H new ATOM 0 HB3 MET A2658 -4.157 -8.322 -5.160 1.00 0.00 H new ATOM 0 HG2 MET A2658 -6.387 -8.053 -3.643 1.00 0.00 H new ATOM 0 HG3 MET A2658 -5.951 -6.363 -3.804 1.00 0.00 H new ATOM 0 HE1 MET A2658 -7.166 -5.220 -6.889 1.00 0.00 H new ATOM 0 HE2 MET A2658 -8.396 -5.795 -5.738 1.00 0.00 H new ATOM 0 HE3 MET A2658 -6.881 -5.079 -5.138 1.00 0.00 H new ATOM 526 N ALA A2663 -1.339 -5.607 -6.947 1.00 0.00 N ATOM 527 CA ALA A2663 -0.927 -4.604 -5.977 1.00 0.00 C ATOM 528 C ALA A2663 -0.165 -3.451 -6.625 1.00 0.00 C ATOM 529 O ALA A2663 0.678 -3.655 -7.498 1.00 0.00 O ATOM 530 CB ALA A2663 -0.089 -5.239 -4.882 1.00 0.00 C ATOM 0 HA ALA A2663 -1.835 -4.188 -5.540 1.00 0.00 H new ATOM 0 HB1 ALA A2663 0.211 -4.475 -4.164 1.00 0.00 H new ATOM 0 HB2 ALA A2663 -0.675 -6.005 -4.373 1.00 0.00 H new ATOM 0 HB3 ALA A2663 0.799 -5.694 -5.321 1.00 0.00 H new ATOM 536 N PRO A2664 -0.468 -2.217 -6.194 1.00 0.00 N ATOM 537 CA PRO A2664 0.169 -0.998 -6.713 1.00 0.00 C ATOM 538 C PRO A2664 1.630 -0.848 -6.284 1.00 0.00 C ATOM 539 O PRO A2664 2.051 -1.389 -5.256 1.00 0.00 O ATOM 540 CB PRO A2664 -0.676 0.119 -6.100 1.00 0.00 C ATOM 541 CG PRO A2664 -1.226 -0.469 -4.848 1.00 0.00 C ATOM 542 CD PRO A2664 -1.475 -1.914 -5.161 1.00 0.00 C ATOM 0 HA PRO A2664 0.202 -0.997 -7.803 1.00 0.00 H new ATOM 0 HB2 PRO A2664 -0.073 1.003 -5.891 1.00 0.00 H new ATOM 0 HB3 PRO A2664 -1.473 0.429 -6.776 1.00 0.00 H new ATOM 0 HG2 PRO A2664 -0.523 -0.362 -4.022 1.00 0.00 H new ATOM 0 HG3 PRO A2664 -2.147 0.033 -4.550 1.00 0.00 H new ATOM 0 HD2 PRO A2664 -1.349 -2.544 -4.280 1.00 0.00 H new ATOM 0 HD3 PRO A2664 -2.489 -2.077 -5.527 1.00 0.00 H new ATOM 550 N PRO A2665 2.425 -0.098 -7.076 1.00 0.00 N ATOM 551 CA PRO A2665 3.837 0.138 -6.795 1.00 0.00 C ATOM 552 C PRO A2665 4.062 1.353 -5.893 1.00 0.00 C ATOM 553 O PRO A2665 3.311 2.329 -5.938 1.00 0.00 O ATOM 554 CB PRO A2665 4.413 0.384 -8.184 1.00 0.00 C ATOM 555 CG PRO A2665 3.302 1.022 -8.953 1.00 0.00 C ATOM 556 CD PRO A2665 2.004 0.580 -8.315 1.00 0.00 C ATOM 0 HA PRO A2665 4.299 -0.690 -6.258 1.00 0.00 H new ATOM 0 HB2 PRO A2665 5.287 1.034 -8.140 1.00 0.00 H new ATOM 0 HB3 PRO A2665 4.732 -0.548 -8.650 1.00 0.00 H new ATOM 0 HG2 PRO A2665 3.392 2.108 -8.929 1.00 0.00 H new ATOM 0 HG3 PRO A2665 3.337 0.722 -10.000 1.00 0.00 H new ATOM 0 HD2 PRO A2665 1.354 1.429 -8.104 1.00 0.00 H new ATOM 0 HD3 PRO A2665 1.448 -0.092 -8.968 1.00 0.00 H new ATOM 564 N MET A2666 5.094 1.269 -5.060 1.00 0.00 N ATOM 565 CA MET A2666 5.423 2.338 -4.118 1.00 0.00 C ATOM 566 C MET A2666 5.355 3.725 -4.761 1.00 0.00 C ATOM 567 O MET A2666 4.659 4.609 -4.264 1.00 0.00 O ATOM 568 CB MET A2666 6.815 2.121 -3.524 1.00 0.00 C ATOM 569 CG MET A2666 6.864 2.322 -2.021 1.00 0.00 C ATOM 570 SD MET A2666 6.285 0.872 -1.124 1.00 0.00 S ATOM 571 CE MET A2666 5.872 1.593 0.461 1.00 0.00 C ATOM 0 H MET A2666 5.722 0.467 -5.017 1.00 0.00 H new ATOM 0 HA MET A2666 4.673 2.299 -3.328 1.00 0.00 H new ATOM 0 HB2 MET A2666 7.150 1.111 -3.760 1.00 0.00 H new ATOM 0 HB3 MET A2666 7.516 2.808 -3.998 1.00 0.00 H new ATOM 0 HG2 MET A2666 7.886 2.550 -1.719 1.00 0.00 H new ATOM 0 HG3 MET A2666 6.253 3.183 -1.751 1.00 0.00 H new ATOM 0 HE1 MET A2666 5.448 0.827 1.110 1.00 0.00 H new ATOM 0 HE2 MET A2666 6.772 2.000 0.921 1.00 0.00 H new ATOM 0 HE3 MET A2666 5.144 2.392 0.319 1.00 0.00 H new ATOM 581 N LYS A2667 6.108 3.925 -5.842 1.00 0.00 N ATOM 582 CA LYS A2667 6.144 5.233 -6.503 1.00 0.00 C ATOM 583 C LYS A2667 4.817 5.622 -7.165 1.00 0.00 C ATOM 584 O LYS A2667 4.703 6.720 -7.710 1.00 0.00 O ATOM 585 CB LYS A2667 7.268 5.274 -7.540 1.00 0.00 C ATOM 586 CG LYS A2667 6.988 4.438 -8.778 1.00 0.00 C ATOM 587 CD LYS A2667 8.105 3.444 -9.042 1.00 0.00 C ATOM 588 CE LYS A2667 8.830 3.748 -10.342 1.00 0.00 C ATOM 589 NZ LYS A2667 9.666 2.602 -10.795 1.00 0.00 N ATOM 0 H LYS A2667 6.694 3.211 -6.275 1.00 0.00 H new ATOM 0 HA LYS A2667 6.330 5.964 -5.716 1.00 0.00 H new ATOM 0 HB2 LYS A2667 7.435 6.308 -7.841 1.00 0.00 H new ATOM 0 HB3 LYS A2667 8.191 4.924 -7.077 1.00 0.00 H new ATOM 0 HG2 LYS A2667 6.046 3.904 -8.652 1.00 0.00 H new ATOM 0 HG3 LYS A2667 6.870 5.093 -9.642 1.00 0.00 H new ATOM 0 HD2 LYS A2667 8.815 3.466 -8.215 1.00 0.00 H new ATOM 0 HD3 LYS A2667 7.693 2.436 -9.082 1.00 0.00 H new ATOM 0 HE2 LYS A2667 8.101 3.993 -11.115 1.00 0.00 H new ATOM 0 HE3 LYS A2667 9.461 4.627 -10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A2667 10.143 2.851 -11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A2667 10.378 2.384 -10.069 1.00 0.00 H new ATOM 0 HZ3 LYS A2667 9.061 1.770 -10.948 1.00 0.00 H new ATOM 603 N ASP A2668 3.817 4.744 -7.131 1.00 0.00 N ATOM 604 CA ASP A2668 2.527 5.058 -7.750 1.00 0.00 C ATOM 605 C ASP A2668 1.350 4.758 -6.822 1.00 0.00 C ATOM 606 O ASP A2668 0.189 4.889 -7.220 1.00 0.00 O ATOM 607 CB ASP A2668 2.363 4.284 -9.058 1.00 0.00 C ATOM 608 CG ASP A2668 1.643 5.091 -10.120 1.00 0.00 C ATOM 609 OD1 ASP A2668 2.176 5.201 -11.245 1.00 0.00 O ATOM 610 OD2 ASP A2668 0.546 5.611 -9.828 1.00 0.00 O ATOM 0 H ASP A2668 3.870 3.825 -6.691 1.00 0.00 H new ATOM 0 HA ASP A2668 2.523 6.129 -7.953 1.00 0.00 H new ATOM 0 HB2 ASP A2668 3.345 3.993 -9.430 1.00 0.00 H new ATOM 0 HB3 ASP A2668 1.809 3.365 -8.866 1.00 0.00 H new ATOM 615 N LEU A2669 1.641 4.362 -5.586 1.00 0.00 N ATOM 616 CA LEU A2669 0.599 4.048 -4.614 1.00 0.00 C ATOM 617 C LEU A2669 -0.487 5.122 -4.539 1.00 0.00 C ATOM 618 O LEU A2669 -1.666 4.801 -4.563 1.00 0.00 O ATOM 619 CB LEU A2669 1.211 3.862 -3.226 1.00 0.00 C ATOM 620 CG LEU A2669 2.234 2.736 -3.115 1.00 0.00 C ATOM 621 CD1 LEU A2669 2.829 2.696 -1.716 1.00 0.00 C ATOM 622 CD2 LEU A2669 1.594 1.402 -3.465 1.00 0.00 C ATOM 0 H LEU A2669 2.592 4.251 -5.234 1.00 0.00 H new ATOM 0 HA LEU A2669 0.130 3.124 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A2669 1.688 4.796 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A2669 0.407 3.673 -2.514 1.00 0.00 H new ATOM 0 HG LEU A2669 3.039 2.926 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A2669 3.557 1.887 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A2669 3.321 3.645 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A2669 2.036 2.527 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A2669 2.337 0.609 -3.381 1.00 0.00 H new ATOM 0 HD22 LEU A2669 0.771 1.202 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU A2669 1.215 1.437 -4.486 1.00 0.00 H new ATOM 634 N PRO A2670 -0.115 6.409 -4.409 1.00 0.00 N ATOM 635 CA PRO A2670 -1.092 7.502 -4.293 1.00 0.00 C ATOM 636 C PRO A2670 -2.044 7.611 -5.487 1.00 0.00 C ATOM 637 O PRO A2670 -3.186 8.059 -5.340 1.00 0.00 O ATOM 638 CB PRO A2670 -0.224 8.764 -4.185 1.00 0.00 C ATOM 639 CG PRO A2670 1.129 8.358 -4.665 1.00 0.00 C ATOM 640 CD PRO A2670 1.271 6.902 -4.329 1.00 0.00 C ATOM 0 HA PRO A2670 -1.750 7.340 -3.439 1.00 0.00 H new ATOM 0 HB2 PRO A2670 -0.630 9.573 -4.793 1.00 0.00 H new ATOM 0 HB3 PRO A2670 -0.184 9.126 -3.158 1.00 0.00 H new ATOM 0 HG2 PRO A2670 1.227 8.522 -5.738 1.00 0.00 H new ATOM 0 HG3 PRO A2670 1.907 8.947 -4.180 1.00 0.00 H new ATOM 0 HD2 PRO A2670 1.924 6.387 -5.033 1.00 0.00 H new ATOM 0 HD3 PRO A2670 1.695 6.756 -3.335 1.00 0.00 H new ATOM 648 N ARG A2671 -1.599 7.167 -6.656 1.00 0.00 N ATOM 649 CA ARG A2671 -2.446 7.210 -7.842 1.00 0.00 C ATOM 650 C ARG A2671 -3.423 6.048 -7.819 1.00 0.00 C ATOM 651 O ARG A2671 -4.615 6.205 -8.088 1.00 0.00 O ATOM 652 CB ARG A2671 -1.595 7.162 -9.111 1.00 0.00 C ATOM 653 CG ARG A2671 -2.076 8.105 -10.202 1.00 0.00 C ATOM 654 CD ARG A2671 -1.292 9.408 -10.201 1.00 0.00 C ATOM 655 NE ARG A2671 -0.422 9.523 -11.369 1.00 0.00 N ATOM 656 CZ ARG A2671 0.114 10.669 -11.785 1.00 0.00 C ATOM 657 NH1 ARG A2671 -0.125 11.799 -11.130 1.00 0.00 N ATOM 658 NH2 ARG A2671 0.893 10.684 -12.858 1.00 0.00 N ATOM 0 H ARG A2671 -0.669 6.778 -6.808 1.00 0.00 H new ATOM 0 HA ARG A2671 -3.005 8.145 -7.840 1.00 0.00 H new ATOM 0 HB2 ARG A2671 -0.564 7.409 -8.857 1.00 0.00 H new ATOM 0 HB3 ARG A2671 -1.592 6.143 -9.498 1.00 0.00 H new ATOM 0 HG2 ARG A2671 -1.976 7.620 -11.173 1.00 0.00 H new ATOM 0 HG3 ARG A2671 -3.136 8.317 -10.059 1.00 0.00 H new ATOM 0 HD2 ARG A2671 -1.986 10.249 -10.181 1.00 0.00 H new ATOM 0 HD3 ARG A2671 -0.691 9.469 -9.294 1.00 0.00 H new ATOM 0 HE ARG A2671 -0.213 8.676 -11.897 1.00 0.00 H new ATOM 0 HH11 ARG A2671 -0.722 11.793 -10.303 1.00 0.00 H new ATOM 0 HH12 ARG A2671 0.289 12.673 -11.454 1.00 0.00 H new ATOM 0 HH21 ARG A2671 1.081 9.818 -13.364 1.00 0.00 H new ATOM 0 HH22 ARG A2671 1.304 11.561 -13.178 1.00 0.00 H new ATOM 672 N TRP A2672 -2.901 4.884 -7.471 1.00 0.00 N ATOM 673 CA TRP A2672 -3.698 3.674 -7.378 1.00 0.00 C ATOM 674 C TRP A2672 -4.647 3.748 -6.189 1.00 0.00 C ATOM 675 O TRP A2672 -5.763 3.231 -6.236 1.00 0.00 O ATOM 676 CB TRP A2672 -2.774 2.474 -7.235 1.00 0.00 C ATOM 677 CG TRP A2672 -3.478 1.157 -7.223 1.00 0.00 C ATOM 678 CD1 TRP A2672 -3.504 0.243 -8.231 1.00 0.00 C ATOM 679 CD2 TRP A2672 -4.234 0.595 -6.148 1.00 0.00 C ATOM 680 NE1 TRP A2672 -4.217 -0.865 -7.845 1.00 0.00 N ATOM 681 CE2 TRP A2672 -4.678 -0.672 -6.569 1.00 0.00 C ATOM 682 CE3 TRP A2672 -4.576 1.036 -4.867 1.00 0.00 C ATOM 683 CZ2 TRP A2672 -5.440 -1.500 -5.754 1.00 0.00 C ATOM 684 CZ3 TRP A2672 -5.335 0.212 -4.061 1.00 0.00 C ATOM 685 CH2 TRP A2672 -5.756 -1.044 -4.506 1.00 0.00 C ATOM 0 H TRP A2672 -1.915 4.752 -7.246 1.00 0.00 H new ATOM 0 HA TRP A2672 -4.294 3.570 -8.284 1.00 0.00 H new ATOM 0 HB2 TRP A2672 -2.057 2.482 -8.056 1.00 0.00 H new ATOM 0 HB3 TRP A2672 -2.204 2.577 -6.312 1.00 0.00 H new ATOM 0 HD1 TRP A2672 -3.032 0.371 -9.194 1.00 0.00 H new ATOM 0 HE1 TRP A2672 -4.377 -1.696 -8.415 1.00 0.00 H new ATOM 0 HE3 TRP A2672 -4.252 2.004 -4.514 1.00 0.00 H new ATOM 0 HZ2 TRP A2672 -5.771 -2.470 -6.095 1.00 0.00 H new ATOM 0 HZ3 TRP A2672 -5.608 0.543 -3.070 1.00 0.00 H new ATOM 0 HH2 TRP A2672 -6.344 -1.668 -3.849 1.00 0.00 H new ATOM 696 N LEU A2673 -4.202 4.417 -5.128 1.00 0.00 N ATOM 697 CA LEU A2673 -5.010 4.586 -3.930 1.00 0.00 C ATOM 698 C LEU A2673 -6.094 5.618 -4.167 1.00 0.00 C ATOM 699 O LEU A2673 -7.201 5.499 -3.644 1.00 0.00 O ATOM 700 CB LEU A2673 -4.144 4.984 -2.742 1.00 0.00 C ATOM 701 CG LEU A2673 -3.791 3.820 -1.820 1.00 0.00 C ATOM 702 CD1 LEU A2673 -5.049 3.223 -1.209 1.00 0.00 C ATOM 703 CD2 LEU A2673 -3.012 2.760 -2.584 1.00 0.00 C ATOM 0 H LEU A2673 -3.281 4.852 -5.077 1.00 0.00 H new ATOM 0 HA LEU A2673 -5.482 3.631 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU A2673 -3.223 5.436 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A2673 -4.665 5.748 -2.164 1.00 0.00 H new ATOM 0 HG LEU A2673 -3.164 4.195 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A2673 -4.778 2.394 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A2673 -5.570 3.986 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A2673 -5.702 2.860 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A2673 -2.767 1.936 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A2673 -3.618 2.388 -3.410 1.00 0.00 H new ATOM 0 HD23 LEU A2673 -2.093 3.196 -2.975 1.00 0.00 H new ATOM 715 N GLU A2674 -5.795 6.608 -5.007 1.00 0.00 N ATOM 716 CA GLU A2674 -6.784 7.613 -5.351 1.00 0.00 C ATOM 717 C GLU A2674 -7.739 7.016 -6.379 1.00 0.00 C ATOM 718 O GLU A2674 -8.883 7.450 -6.517 1.00 0.00 O ATOM 719 CB GLU A2674 -6.112 8.867 -5.912 1.00 0.00 C ATOM 720 CG GLU A2674 -5.837 9.931 -4.861 1.00 0.00 C ATOM 721 CD GLU A2674 -5.854 11.334 -5.433 1.00 0.00 C ATOM 722 OE1 GLU A2674 -6.951 11.821 -5.781 1.00 0.00 O ATOM 723 OE2 GLU A2674 -4.770 11.947 -5.535 1.00 0.00 O ATOM 0 H GLU A2674 -4.886 6.730 -5.454 1.00 0.00 H new ATOM 0 HA GLU A2674 -7.334 7.907 -4.457 1.00 0.00 H new ATOM 0 HB2 GLU A2674 -5.172 8.584 -6.386 1.00 0.00 H new ATOM 0 HB3 GLU A2674 -6.746 9.292 -6.690 1.00 0.00 H new ATOM 0 HG2 GLU A2674 -6.583 9.856 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A2674 -4.866 9.741 -4.403 1.00 0.00 H new ATOM 730 N GLU A2675 -7.245 6.000 -7.090 1.00 0.00 N ATOM 731 CA GLU A2675 -8.021 5.302 -8.103 1.00 0.00 C ATOM 732 C GLU A2675 -8.836 4.165 -7.489 1.00 0.00 C ATOM 733 O GLU A2675 -9.817 3.711 -8.078 1.00 0.00 O ATOM 734 CB GLU A2675 -7.089 4.744 -9.181 1.00 0.00 C ATOM 735 CG GLU A2675 -7.114 5.536 -10.478 1.00 0.00 C ATOM 736 CD GLU A2675 -7.976 4.885 -11.541 1.00 0.00 C ATOM 737 OE1 GLU A2675 -7.412 4.375 -12.533 1.00 0.00 O ATOM 738 OE2 GLU A2675 -9.214 4.883 -11.383 1.00 0.00 O ATOM 0 H GLU A2675 -6.297 5.643 -6.976 1.00 0.00 H new ATOM 0 HA GLU A2675 -8.712 6.016 -8.550 1.00 0.00 H new ATOM 0 HB2 GLU A2675 -6.070 4.728 -8.795 1.00 0.00 H new ATOM 0 HB3 GLU A2675 -7.367 3.711 -9.391 1.00 0.00 H new ATOM 0 HG2 GLU A2675 -7.486 6.541 -10.279 1.00 0.00 H new ATOM 0 HG3 GLU A2675 -6.097 5.642 -10.855 1.00 0.00 H new ATOM 745 N ASN A2676 -8.435 3.707 -6.301 1.00 0.00 N ATOM 746 CA ASN A2676 -9.149 2.626 -5.628 1.00 0.00 C ATOM 747 C ASN A2676 -9.581 3.048 -4.226 1.00 0.00 C ATOM 748 O ASN A2676 -8.974 2.645 -3.233 1.00 0.00 O ATOM 749 CB ASN A2676 -8.277 1.371 -5.554 1.00 0.00 C ATOM 750 CG ASN A2676 -7.954 0.810 -6.925 1.00 0.00 C ATOM 751 OD1 ASN A2676 -8.725 0.032 -7.488 1.00 0.00 O ATOM 752 ND2 ASN A2676 -6.809 1.204 -7.471 1.00 0.00 N ATOM 0 H ASN A2676 -7.627 4.065 -5.791 1.00 0.00 H new ATOM 0 HA ASN A2676 -10.042 2.400 -6.210 1.00 0.00 H new ATOM 0 HB2 ASN A2676 -7.349 1.607 -5.033 1.00 0.00 H new ATOM 0 HB3 ASN A2676 -8.789 0.610 -4.965 1.00 0.00 H new ATOM 0 HD21 ASN A2676 -6.539 0.860 -8.393 1.00 0.00 H new ATOM 0 HD22 ASN A2676 -6.200 1.850 -6.969 1.00 0.00 H new ATOM 759 N PRO A2677 -10.644 3.863 -4.126 1.00 0.00 N ATOM 760 CA PRO A2677 -11.161 4.333 -2.836 1.00 0.00 C ATOM 761 C PRO A2677 -11.735 3.197 -1.997 1.00 0.00 C ATOM 762 O PRO A2677 -11.890 3.327 -0.783 1.00 0.00 O ATOM 763 CB PRO A2677 -12.264 5.321 -3.226 1.00 0.00 C ATOM 764 CG PRO A2677 -12.670 4.919 -4.602 1.00 0.00 C ATOM 765 CD PRO A2677 -11.429 4.384 -5.260 1.00 0.00 C ATOM 0 HA PRO A2677 -10.377 4.776 -2.221 1.00 0.00 H new ATOM 0 HB2 PRO A2677 -13.105 5.267 -2.535 1.00 0.00 H new ATOM 0 HB3 PRO A2677 -11.900 6.348 -3.206 1.00 0.00 H new ATOM 0 HG2 PRO A2677 -13.453 4.162 -4.572 1.00 0.00 H new ATOM 0 HG3 PRO A2677 -13.069 5.769 -5.155 1.00 0.00 H new ATOM 0 HD2 PRO A2677 -11.662 3.601 -5.982 1.00 0.00 H new ATOM 0 HD3 PRO A2677 -10.890 5.164 -5.798 1.00 0.00 H new ATOM 773 N GLU A2678 -12.043 2.082 -2.651 1.00 0.00 N ATOM 774 CA GLU A2678 -12.594 0.920 -1.966 1.00 0.00 C ATOM 775 C GLU A2678 -11.489 0.076 -1.336 1.00 0.00 C ATOM 776 O GLU A2678 -11.764 -0.931 -0.683 1.00 0.00 O ATOM 777 CB GLU A2678 -13.391 0.060 -2.944 1.00 0.00 C ATOM 778 CG GLU A2678 -14.726 0.663 -3.343 1.00 0.00 C ATOM 779 CD GLU A2678 -14.577 2.004 -4.035 1.00 0.00 C ATOM 780 OE1 GLU A2678 -15.079 3.011 -3.494 1.00 0.00 O ATOM 781 OE2 GLU A2678 -13.958 2.046 -5.119 1.00 0.00 O ATOM 0 H GLU A2678 -11.920 1.959 -3.656 1.00 0.00 H new ATOM 0 HA GLU A2678 -13.251 1.281 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU A2678 -12.793 -0.102 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A2678 -13.564 -0.918 -2.495 1.00 0.00 H new ATOM 0 HG2 GLU A2678 -15.249 -0.027 -4.005 1.00 0.00 H new ATOM 0 HG3 GLU A2678 -15.346 0.784 -2.455 1.00 0.00 H new ATOM 788 N PHE A2679 -10.238 0.475 -1.549 1.00 0.00 N ATOM 789 CA PHE A2679 -9.105 -0.268 -1.012 1.00 0.00 C ATOM 790 C PHE A2679 -8.222 0.592 -0.120 1.00 0.00 C ATOM 791 O PHE A2679 -8.294 1.821 -0.139 1.00 0.00 O ATOM 792 CB PHE A2679 -8.267 -0.841 -2.154 1.00 0.00 C ATOM 793 CG PHE A2679 -8.815 -2.119 -2.706 1.00 0.00 C ATOM 794 CD1 PHE A2679 -9.983 -2.118 -3.448 1.00 0.00 C ATOM 795 CD2 PHE A2679 -8.169 -3.321 -2.477 1.00 0.00 C ATOM 796 CE1 PHE A2679 -10.497 -3.295 -3.953 1.00 0.00 C ATOM 797 CE2 PHE A2679 -8.677 -4.501 -2.980 1.00 0.00 C ATOM 798 CZ PHE A2679 -9.842 -4.490 -3.719 1.00 0.00 C ATOM 0 H PHE A2679 -9.985 1.304 -2.087 1.00 0.00 H new ATOM 0 HA PHE A2679 -9.510 -1.075 -0.401 1.00 0.00 H new ATOM 0 HB2 PHE A2679 -8.205 -0.104 -2.955 1.00 0.00 H new ATOM 0 HB3 PHE A2679 -7.251 -1.013 -1.799 1.00 0.00 H new ATOM 0 HD1 PHE A2679 -10.498 -1.187 -3.634 1.00 0.00 H new ATOM 0 HD2 PHE A2679 -7.257 -3.336 -1.898 1.00 0.00 H new ATOM 0 HE1 PHE A2679 -11.410 -3.283 -4.530 1.00 0.00 H new ATOM 0 HE2 PHE A2679 -8.163 -5.433 -2.795 1.00 0.00 H new ATOM 0 HZ PHE A2679 -10.241 -5.413 -4.114 1.00 0.00 H new ATOM 808 N ALA A2680 -7.373 -0.081 0.646 1.00 0.00 N ATOM 809 CA ALA A2680 -6.437 0.581 1.542 1.00 0.00 C ATOM 810 C ALA A2680 -5.124 -0.189 1.568 1.00 0.00 C ATOM 811 O ALA A2680 -5.014 -1.246 0.946 1.00 0.00 O ATOM 812 CB ALA A2680 -7.027 0.708 2.938 1.00 0.00 C ATOM 0 H ALA A2680 -7.315 -1.099 0.663 1.00 0.00 H new ATOM 0 HA ALA A2680 -6.243 1.589 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A2680 -6.311 1.206 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A2680 -7.945 1.294 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A2680 -7.248 -0.284 3.331 1.00 0.00 H new ATOM 818 N VAL A2681 -4.122 0.333 2.269 1.00 0.00 N ATOM 819 CA VAL A2681 -2.824 -0.333 2.334 1.00 0.00 C ATOM 820 C VAL A2681 -2.744 -1.316 3.493 1.00 0.00 C ATOM 821 O VAL A2681 -3.271 -1.060 4.572 1.00 0.00 O ATOM 822 CB VAL A2681 -1.681 0.684 2.478 1.00 0.00 C ATOM 823 CG1 VAL A2681 -0.337 -0.004 2.300 1.00 0.00 C ATOM 824 CG2 VAL A2681 -1.846 1.822 1.483 1.00 0.00 C ATOM 0 H VAL A2681 -4.181 1.205 2.795 1.00 0.00 H new ATOM 0 HA VAL A2681 -2.717 -0.879 1.397 1.00 0.00 H new ATOM 0 HB VAL A2681 -1.718 1.108 3.481 1.00 0.00 H new ATOM 0 HG11 VAL A2681 0.463 0.728 2.405 1.00 0.00 H new ATOM 0 HG12 VAL A2681 -0.221 -0.778 3.058 1.00 0.00 H new ATOM 0 HG13 VAL A2681 -0.288 -0.456 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A2681 -1.026 2.531 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A2681 -1.836 1.423 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A2681 -2.794 2.329 1.664 1.00 0.00 H new ATOM 834 N ALA A2682 -2.075 -2.442 3.258 1.00 0.00 N ATOM 835 CA ALA A2682 -1.921 -3.472 4.282 1.00 0.00 C ATOM 836 C ALA A2682 -1.381 -2.896 5.594 1.00 0.00 C ATOM 837 O ALA A2682 -0.687 -1.880 5.607 1.00 0.00 O ATOM 838 CB ALA A2682 -1.014 -4.584 3.778 1.00 0.00 C ATOM 0 H ALA A2682 -1.631 -2.664 2.367 1.00 0.00 H new ATOM 0 HA ALA A2682 -2.910 -3.882 4.488 1.00 0.00 H new ATOM 0 HB1 ALA A2682 -0.908 -5.345 4.551 1.00 0.00 H new ATOM 0 HB2 ALA A2682 -1.450 -5.032 2.885 1.00 0.00 H new ATOM 0 HB3 ALA A2682 -0.034 -4.173 3.536 1.00 0.00 H new ATOM 844 N PRO A2683 -1.695 -3.565 6.715 1.00 0.00 N ATOM 845 CA PRO A2683 -1.262 -3.158 8.064 1.00 0.00 C ATOM 846 C PRO A2683 0.238 -2.936 8.167 1.00 0.00 C ATOM 847 O PRO A2683 0.693 -1.863 8.555 1.00 0.00 O ATOM 848 CB PRO A2683 -1.674 -4.347 8.942 1.00 0.00 C ATOM 849 CG PRO A2683 -1.926 -5.457 7.980 1.00 0.00 C ATOM 850 CD PRO A2683 -2.486 -4.795 6.766 1.00 0.00 C ATOM 0 HA PRO A2683 -1.708 -2.207 8.353 1.00 0.00 H new ATOM 0 HB2 PRO A2683 -0.888 -4.608 9.650 1.00 0.00 H new ATOM 0 HB3 PRO A2683 -2.566 -4.118 9.526 1.00 0.00 H new ATOM 0 HG2 PRO A2683 -1.007 -5.995 7.748 1.00 0.00 H new ATOM 0 HG3 PRO A2683 -2.626 -6.185 8.391 1.00 0.00 H new ATOM 0 HD2 PRO A2683 -2.357 -5.403 5.871 1.00 0.00 H new ATOM 0 HD3 PRO A2683 -3.553 -4.593 6.864 1.00 0.00 H new ATOM 858 N ASP A2684 1.002 -3.953 7.810 1.00 0.00 N ATOM 859 CA ASP A2684 2.454 -3.864 7.852 1.00 0.00 C ATOM 860 C ASP A2684 2.936 -2.873 6.806 1.00 0.00 C ATOM 861 O ASP A2684 4.052 -2.347 6.883 1.00 0.00 O ATOM 862 CB ASP A2684 3.083 -5.237 7.605 1.00 0.00 C ATOM 863 CG ASP A2684 3.287 -6.019 8.888 1.00 0.00 C ATOM 864 OD1 ASP A2684 4.426 -6.035 9.399 1.00 0.00 O ATOM 865 OD2 ASP A2684 2.307 -6.616 9.382 1.00 0.00 O ATOM 0 H ASP A2684 0.643 -4.851 7.487 1.00 0.00 H new ATOM 0 HA ASP A2684 2.757 -3.520 8.841 1.00 0.00 H new ATOM 0 HB2 ASP A2684 2.446 -5.810 6.931 1.00 0.00 H new ATOM 0 HB3 ASP A2684 4.043 -5.109 7.104 1.00 0.00 H new ATOM 870 N TRP A2685 2.066 -2.581 5.845 1.00 0.00 N ATOM 871 CA TRP A2685 2.389 -1.627 4.816 1.00 0.00 C ATOM 872 C TRP A2685 1.944 -0.246 5.250 1.00 0.00 C ATOM 873 O TRP A2685 2.314 0.756 4.661 1.00 0.00 O ATOM 874 CB TRP A2685 1.786 -2.061 3.492 1.00 0.00 C ATOM 875 CG TRP A2685 2.472 -3.286 2.991 1.00 0.00 C ATOM 876 CD1 TRP A2685 2.189 -4.569 3.333 1.00 0.00 C ATOM 877 CD2 TRP A2685 3.582 -3.350 2.089 1.00 0.00 C ATOM 878 NE1 TRP A2685 3.052 -5.418 2.708 1.00 0.00 N ATOM 879 CE2 TRP A2685 3.908 -4.704 1.933 1.00 0.00 C ATOM 880 CE3 TRP A2685 4.326 -2.402 1.397 1.00 0.00 C ATOM 881 CZ2 TRP A2685 4.944 -5.139 1.118 1.00 0.00 C ATOM 882 CZ3 TRP A2685 5.359 -2.826 0.582 1.00 0.00 C ATOM 883 CH2 TRP A2685 5.659 -4.188 0.447 1.00 0.00 C ATOM 0 H TRP A2685 1.137 -2.995 5.766 1.00 0.00 H new ATOM 0 HA TRP A2685 3.467 -1.584 4.664 1.00 0.00 H new ATOM 0 HB2 TRP A2685 0.721 -2.257 3.616 1.00 0.00 H new ATOM 0 HB3 TRP A2685 1.880 -1.258 2.761 1.00 0.00 H new ATOM 0 HD1 TRP A2685 1.397 -4.872 4.002 1.00 0.00 H new ATOM 0 HE1 TRP A2685 3.055 -6.433 2.807 1.00 0.00 H new ATOM 0 HE3 TRP A2685 4.101 -1.350 1.494 1.00 0.00 H new ATOM 0 HZ2 TRP A2685 5.176 -6.189 1.018 1.00 0.00 H new ATOM 0 HZ3 TRP A2685 5.944 -2.096 0.041 1.00 0.00 H new ATOM 0 HH2 TRP A2685 6.470 -4.491 -0.199 1.00 0.00 H new ATOM 894 N THR A2686 1.206 -0.207 6.349 1.00 0.00 N ATOM 895 CA THR A2686 0.785 1.041 6.934 1.00 0.00 C ATOM 896 C THR A2686 2.048 1.759 7.379 1.00 0.00 C ATOM 897 O THR A2686 2.266 2.933 7.074 1.00 0.00 O ATOM 898 CB THR A2686 -0.131 0.763 8.125 1.00 0.00 C ATOM 899 OG1 THR A2686 -1.312 0.106 7.704 1.00 0.00 O ATOM 900 CG2 THR A2686 -0.541 1.999 8.882 1.00 0.00 C ATOM 0 H THR A2686 0.888 -1.036 6.851 1.00 0.00 H new ATOM 0 HA THR A2686 0.228 1.653 6.225 1.00 0.00 H new ATOM 0 HB THR A2686 0.459 0.136 8.794 1.00 0.00 H new ATOM 0 HG1 THR A2686 -1.084 -0.592 7.055 1.00 0.00 H new ATOM 0 HG21 THR A2686 -1.190 1.719 9.712 1.00 0.00 H new ATOM 0 HG22 THR A2686 0.346 2.500 9.268 1.00 0.00 H new ATOM 0 HG23 THR A2686 -1.077 2.674 8.214 1.00 0.00 H new ATOM 908 N ASP A2687 2.905 1.006 8.070 1.00 0.00 N ATOM 909 CA ASP A2687 4.179 1.525 8.530 1.00 0.00 C ATOM 910 C ASP A2687 5.150 1.619 7.358 1.00 0.00 C ATOM 911 O ASP A2687 5.746 2.671 7.131 1.00 0.00 O ATOM 912 CB ASP A2687 4.759 0.630 9.628 1.00 0.00 C ATOM 913 CG ASP A2687 4.542 1.203 11.015 1.00 0.00 C ATOM 914 OD1 ASP A2687 5.477 1.839 11.548 1.00 0.00 O ATOM 915 OD2 ASP A2687 3.438 1.016 11.568 1.00 0.00 O ATOM 0 H ASP A2687 2.732 0.032 8.320 1.00 0.00 H new ATOM 0 HA ASP A2687 4.024 2.520 8.946 1.00 0.00 H new ATOM 0 HB2 ASP A2687 4.299 -0.357 9.569 1.00 0.00 H new ATOM 0 HB3 ASP A2687 5.827 0.495 9.457 1.00 0.00 H new ATOM 920 N ILE A2688 5.309 0.524 6.599 1.00 0.00 N ATOM 921 CA ILE A2688 6.213 0.535 5.448 1.00 0.00 C ATOM 922 C ILE A2688 5.891 1.715 4.531 1.00 0.00 C ATOM 923 O ILE A2688 6.740 2.570 4.270 1.00 0.00 O ATOM 924 CB ILE A2688 6.093 -0.781 4.633 1.00 0.00 C ATOM 925 CG1 ILE A2688 6.540 -1.991 5.458 1.00 0.00 C ATOM 926 CG2 ILE A2688 6.898 -0.699 3.347 1.00 0.00 C ATOM 927 CD1 ILE A2688 6.139 -3.325 4.849 1.00 0.00 C ATOM 0 H ILE A2688 4.832 -0.363 6.760 1.00 0.00 H new ATOM 0 HA ILE A2688 7.230 0.629 5.828 1.00 0.00 H new ATOM 0 HB ILE A2688 5.041 -0.911 4.379 1.00 0.00 H new ATOM 0 HG12 ILE A2688 7.624 -1.963 5.570 1.00 0.00 H new ATOM 0 HG13 ILE A2688 6.114 -1.915 6.459 1.00 0.00 H new ATOM 0 HG21 ILE A2688 6.797 -1.633 2.795 1.00 0.00 H new ATOM 0 HG22 ILE A2688 6.527 0.125 2.737 1.00 0.00 H new ATOM 0 HG23 ILE A2688 7.948 -0.530 3.585 1.00 0.00 H new ATOM 0 HD11 ILE A2688 6.489 -4.136 5.487 1.00 0.00 H new ATOM 0 HD12 ILE A2688 5.054 -3.374 4.762 1.00 0.00 H new ATOM 0 HD13 ILE A2688 6.587 -3.423 3.860 1.00 0.00 H new ATOM 939 N VAL A2689 4.655 1.750 4.050 1.00 0.00 N ATOM 940 CA VAL A2689 4.202 2.815 3.166 1.00 0.00 C ATOM 941 C VAL A2689 4.389 4.175 3.823 1.00 0.00 C ATOM 942 O VAL A2689 4.839 5.124 3.183 1.00 0.00 O ATOM 943 CB VAL A2689 2.735 2.619 2.742 1.00 0.00 C ATOM 944 CG1 VAL A2689 2.241 3.797 1.923 1.00 0.00 C ATOM 945 CG2 VAL A2689 2.592 1.326 1.955 1.00 0.00 C ATOM 0 H VAL A2689 3.945 1.048 4.259 1.00 0.00 H new ATOM 0 HA VAL A2689 4.814 2.774 2.265 1.00 0.00 H new ATOM 0 HB VAL A2689 2.122 2.558 3.641 1.00 0.00 H new ATOM 0 HG11 VAL A2689 1.202 3.631 1.637 1.00 0.00 H new ATOM 0 HG12 VAL A2689 2.313 4.708 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A2689 2.852 3.898 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A2689 1.552 1.194 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A2689 3.220 1.370 1.065 1.00 0.00 H new ATOM 0 HG23 VAL A2689 2.902 0.486 2.576 1.00 0.00 H new ATOM 955 N LYS A2690 4.065 4.280 5.108 1.00 0.00 N ATOM 956 CA LYS A2690 4.247 5.542 5.811 1.00 0.00 C ATOM 957 C LYS A2690 5.667 6.053 5.577 1.00 0.00 C ATOM 958 O LYS A2690 5.872 7.203 5.188 1.00 0.00 O ATOM 959 CB LYS A2690 3.986 5.373 7.310 1.00 0.00 C ATOM 960 CG LYS A2690 2.653 5.948 7.762 1.00 0.00 C ATOM 961 CD LYS A2690 2.001 5.080 8.827 1.00 0.00 C ATOM 962 CE LYS A2690 1.334 5.924 9.902 1.00 0.00 C ATOM 963 NZ LYS A2690 2.331 6.650 10.737 1.00 0.00 N ATOM 0 H LYS A2690 3.683 3.522 5.673 1.00 0.00 H new ATOM 0 HA LYS A2690 3.531 6.267 5.424 1.00 0.00 H new ATOM 0 HB2 LYS A2690 4.018 4.312 7.559 1.00 0.00 H new ATOM 0 HB3 LYS A2690 4.789 5.856 7.867 1.00 0.00 H new ATOM 0 HG2 LYS A2690 2.804 6.954 8.154 1.00 0.00 H new ATOM 0 HG3 LYS A2690 1.985 6.037 6.905 1.00 0.00 H new ATOM 0 HD2 LYS A2690 1.261 4.428 8.363 1.00 0.00 H new ATOM 0 HD3 LYS A2690 2.753 4.436 9.283 1.00 0.00 H new ATOM 0 HE2 LYS A2690 0.661 6.642 9.434 1.00 0.00 H new ATOM 0 HE3 LYS A2690 0.724 5.284 10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A2690 1.897 6.915 11.644 1.00 0.00 H new ATOM 0 HZ2 LYS A2690 3.151 6.035 10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A2690 2.642 7.508 10.239 1.00 0.00 H new ATOM 977 N GLN A2691 6.642 5.168 5.783 1.00 0.00 N ATOM 978 CA GLN A2691 8.050 5.481 5.564 1.00 0.00 C ATOM 979 C GLN A2691 8.396 5.523 4.070 1.00 0.00 C ATOM 980 O GLN A2691 9.453 6.024 3.686 1.00 0.00 O ATOM 981 CB GLN A2691 8.925 4.440 6.264 1.00 0.00 C ATOM 982 CG GLN A2691 8.917 4.555 7.779 1.00 0.00 C ATOM 983 CD GLN A2691 7.968 3.569 8.433 1.00 0.00 C ATOM 984 OE1 GLN A2691 7.009 3.961 9.098 1.00 0.00 O ATOM 985 NE2 GLN A2691 8.232 2.281 8.246 1.00 0.00 N ATOM 0 H GLN A2691 6.476 4.215 6.106 1.00 0.00 H new ATOM 0 HA GLN A2691 8.241 6.470 5.981 1.00 0.00 H new ATOM 0 HB2 GLN A2691 8.585 3.444 5.982 1.00 0.00 H new ATOM 0 HB3 GLN A2691 9.950 4.540 5.906 1.00 0.00 H new ATOM 0 HG2 GLN A2691 9.926 4.389 8.158 1.00 0.00 H new ATOM 0 HG3 GLN A2691 8.633 5.569 8.061 1.00 0.00 H new ATOM 0 HE21 GLN A2691 9.038 2.002 7.687 1.00 0.00 H new ATOM 0 HE22 GLN A2691 7.629 1.571 8.661 1.00 0.00 H new ATOM 994 N SER A2692 7.510 4.971 3.238 1.00 0.00 N ATOM 995 CA SER A2692 7.718 4.914 1.786 1.00 0.00 C ATOM 996 C SER A2692 8.322 6.193 1.231 1.00 0.00 C ATOM 997 O SER A2692 9.180 6.153 0.348 1.00 0.00 O ATOM 998 CB SER A2692 6.392 4.637 1.063 1.00 0.00 C ATOM 999 OG SER A2692 5.738 5.846 0.670 1.00 0.00 O ATOM 0 H SER A2692 6.633 4.553 3.547 1.00 0.00 H new ATOM 0 HA SER A2692 8.423 4.102 1.609 1.00 0.00 H new ATOM 0 HB2 SER A2692 6.580 4.023 0.182 1.00 0.00 H new ATOM 0 HB3 SER A2692 5.734 4.064 1.717 1.00 0.00 H new ATOM 0 HG SER A2692 5.114 6.124 1.373 1.00 0.00 H new ATOM 1005 N GLY A2693 7.851 7.324 1.728 1.00 0.00 N ATOM 1006 CA GLY A2693 8.340 8.593 1.238 1.00 0.00 C ATOM 1007 C GLY A2693 7.626 9.015 -0.035 1.00 0.00 C ATOM 1008 O GLY A2693 7.694 10.178 -0.432 1.00 0.00 O ATOM 0 H GLY A2693 7.142 7.386 2.459 1.00 0.00 H new ATOM 0 HA2 GLY A2693 8.202 9.357 2.003 1.00 0.00 H new ATOM 0 HA3 GLY A2693 9.411 8.522 1.048 1.00 0.00 H new ATOM 1012 N PHE A2694 6.927 8.069 -0.672 1.00 0.00 N ATOM 1013 CA PHE A2694 6.193 8.365 -1.892 1.00 0.00 C ATOM 1014 C PHE A2694 4.820 8.898 -1.553 1.00 0.00 C ATOM 1015 O PHE A2694 4.400 9.930 -2.078 1.00 0.00 O ATOM 1016 CB PHE A2694 6.051 7.116 -2.769 1.00 0.00 C ATOM 1017 CG PHE A2694 7.325 6.346 -2.916 1.00 0.00 C ATOM 1018 CD1 PHE A2694 7.737 5.495 -1.913 1.00 0.00 C ATOM 1019 CD2 PHE A2694 8.121 6.487 -4.044 1.00 0.00 C ATOM 1020 CE1 PHE A2694 8.918 4.797 -2.020 1.00 0.00 C ATOM 1021 CE2 PHE A2694 9.304 5.787 -4.161 1.00 0.00 C ATOM 1022 CZ PHE A2694 9.705 4.942 -3.146 1.00 0.00 C ATOM 0 H PHE A2694 6.858 7.100 -0.360 1.00 0.00 H new ATOM 0 HA PHE A2694 6.754 9.117 -2.447 1.00 0.00 H new ATOM 0 HB2 PHE A2694 5.289 6.465 -2.341 1.00 0.00 H new ATOM 0 HB3 PHE A2694 5.698 7.413 -3.757 1.00 0.00 H new ATOM 0 HD1 PHE A2694 7.125 5.374 -1.031 1.00 0.00 H new ATOM 0 HD2 PHE A2694 7.811 7.151 -4.838 1.00 0.00 H new ATOM 0 HE1 PHE A2694 9.229 4.136 -1.224 1.00 0.00 H new ATOM 0 HE2 PHE A2694 9.915 5.900 -5.045 1.00 0.00 H new ATOM 0 HZ PHE A2694 10.632 4.395 -3.232 1.00 0.00 H new ATOM 1032 N VAL A2695 4.108 8.189 -0.685 1.00 0.00 N ATOM 1033 CA VAL A2695 2.766 8.600 -0.300 1.00 0.00 C ATOM 1034 C VAL A2695 2.796 9.700 0.760 1.00 0.00 C ATOM 1035 O VAL A2695 3.583 9.639 1.705 1.00 0.00 O ATOM 1036 CB VAL A2695 1.963 7.405 0.251 1.00 0.00 C ATOM 1037 CG1 VAL A2695 0.502 7.776 0.420 1.00 0.00 C ATOM 1038 CG2 VAL A2695 2.104 6.189 -0.654 1.00 0.00 C ATOM 0 H VAL A2695 4.436 7.333 -0.238 1.00 0.00 H new ATOM 0 HA VAL A2695 2.285 8.986 -1.199 1.00 0.00 H new ATOM 0 HB VAL A2695 2.370 7.148 1.229 1.00 0.00 H new ATOM 0 HG11 VAL A2695 -0.048 6.920 0.810 1.00 0.00 H new ATOM 0 HG12 VAL A2695 0.417 8.610 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A2695 0.086 8.066 -0.545 1.00 0.00 H new ATOM 0 HG21 VAL A2695 1.528 5.360 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A2695 1.731 6.431 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL A2695 3.154 5.904 -0.719 1.00 0.00 H new ATOM 1048 N PRO A2696 1.930 10.723 0.622 1.00 0.00 N ATOM 1049 CA PRO A2696 1.862 11.831 1.580 1.00 0.00 C ATOM 1050 C PRO A2696 1.224 11.413 2.899 1.00 0.00 C ATOM 1051 O PRO A2696 0.318 10.580 2.927 1.00 0.00 O ATOM 1052 CB PRO A2696 0.989 12.863 0.865 1.00 0.00 C ATOM 1053 CG PRO A2696 0.124 12.060 -0.042 1.00 0.00 C ATOM 1054 CD PRO A2696 0.951 10.880 -0.473 1.00 0.00 C ATOM 0 HA PRO A2696 2.851 12.203 1.848 1.00 0.00 H new ATOM 0 HB2 PRO A2696 0.394 13.438 1.574 1.00 0.00 H new ATOM 0 HB3 PRO A2696 1.595 13.576 0.306 1.00 0.00 H new ATOM 0 HG2 PRO A2696 -0.781 11.735 0.470 1.00 0.00 H new ATOM 0 HG3 PRO A2696 -0.191 12.650 -0.903 1.00 0.00 H new ATOM 0 HD2 PRO A2696 0.340 9.986 -0.596 1.00 0.00 H new ATOM 0 HD3 PRO A2696 1.444 11.063 -1.428 1.00 0.00 H new ATOM 1062 N GLU A2697 1.708 11.993 3.993 1.00 0.00 N ATOM 1063 CA GLU A2697 1.191 11.678 5.321 1.00 0.00 C ATOM 1064 C GLU A2697 -0.327 11.811 5.364 1.00 0.00 C ATOM 1065 O GLU A2697 -1.003 11.086 6.094 1.00 0.00 O ATOM 1066 CB GLU A2697 1.827 12.594 6.368 1.00 0.00 C ATOM 1067 CG GLU A2697 1.416 14.052 6.235 1.00 0.00 C ATOM 1068 CD GLU A2697 2.585 15.004 6.392 1.00 0.00 C ATOM 1069 OE1 GLU A2697 3.712 14.630 6.005 1.00 0.00 O ATOM 1070 OE2 GLU A2697 2.373 16.124 6.902 1.00 0.00 O ATOM 0 H GLU A2697 2.458 12.684 3.986 1.00 0.00 H new ATOM 0 HA GLU A2697 1.450 10.644 5.547 1.00 0.00 H new ATOM 0 HB2 GLU A2697 1.556 12.238 7.362 1.00 0.00 H new ATOM 0 HB3 GLU A2697 2.912 12.523 6.289 1.00 0.00 H new ATOM 0 HG2 GLU A2697 0.954 14.208 5.260 1.00 0.00 H new ATOM 0 HG3 GLU A2697 0.661 14.283 6.986 1.00 0.00 H new ATOM 1077 N SER A2698 -0.858 12.737 4.575 1.00 0.00 N ATOM 1078 CA SER A2698 -2.297 12.958 4.522 1.00 0.00 C ATOM 1079 C SER A2698 -3.019 11.700 4.052 1.00 0.00 C ATOM 1080 O SER A2698 -4.145 11.426 4.466 1.00 0.00 O ATOM 1081 CB SER A2698 -2.622 14.126 3.588 1.00 0.00 C ATOM 1082 OG SER A2698 -2.434 15.369 4.242 1.00 0.00 O ATOM 0 H SER A2698 -0.314 13.346 3.964 1.00 0.00 H new ATOM 0 HA SER A2698 -2.641 13.201 5.527 1.00 0.00 H new ATOM 0 HB2 SER A2698 -1.986 14.077 2.704 1.00 0.00 H new ATOM 0 HB3 SER A2698 -3.653 14.045 3.244 1.00 0.00 H new ATOM 0 HG SER A2698 -2.646 16.099 3.624 1.00 0.00 H new ATOM 1088 N MET A2699 -2.363 10.937 3.181 1.00 0.00 N ATOM 1089 CA MET A2699 -2.944 9.709 2.652 1.00 0.00 C ATOM 1090 C MET A2699 -2.732 8.529 3.601 1.00 0.00 C ATOM 1091 O MET A2699 -3.214 7.426 3.343 1.00 0.00 O ATOM 1092 CB MET A2699 -2.346 9.383 1.285 1.00 0.00 C ATOM 1093 CG MET A2699 -3.211 9.836 0.121 1.00 0.00 C ATOM 1094 SD MET A2699 -2.529 9.358 -1.478 1.00 0.00 S ATOM 1095 CE MET A2699 -3.545 7.935 -1.864 1.00 0.00 C ATOM 0 H MET A2699 -1.430 11.148 2.828 1.00 0.00 H new ATOM 0 HA MET A2699 -4.017 9.874 2.550 1.00 0.00 H new ATOM 0 HB2 MET A2699 -1.366 9.854 1.204 1.00 0.00 H new ATOM 0 HB3 MET A2699 -2.189 8.307 1.213 1.00 0.00 H new ATOM 0 HG2 MET A2699 -4.209 9.411 0.228 1.00 0.00 H new ATOM 0 HG3 MET A2699 -3.321 10.920 0.155 1.00 0.00 H new ATOM 0 HE1 MET A2699 -3.740 7.907 -2.936 1.00 0.00 H new ATOM 0 HE2 MET A2699 -3.025 7.025 -1.566 1.00 0.00 H new ATOM 0 HE3 MET A2699 -4.490 8.006 -1.325 1.00 0.00 H new ATOM 1105 N PHE A2700 -2.021 8.761 4.701 1.00 0.00 N ATOM 1106 CA PHE A2700 -1.774 7.704 5.679 1.00 0.00 C ATOM 1107 C PHE A2700 -3.082 7.217 6.300 1.00 0.00 C ATOM 1108 O PHE A2700 -3.125 6.157 6.923 1.00 0.00 O ATOM 1109 CB PHE A2700 -0.827 8.202 6.776 1.00 0.00 C ATOM 1110 CG PHE A2700 0.600 8.395 6.326 1.00 0.00 C ATOM 1111 CD1 PHE A2700 0.988 8.116 5.021 1.00 0.00 C ATOM 1112 CD2 PHE A2700 1.555 8.856 7.218 1.00 0.00 C ATOM 1113 CE1 PHE A2700 2.299 8.295 4.621 1.00 0.00 C ATOM 1114 CE2 PHE A2700 2.866 9.035 6.821 1.00 0.00 C ATOM 1115 CZ PHE A2700 3.239 8.754 5.522 1.00 0.00 C ATOM 0 H PHE A2700 -1.608 9.663 4.937 1.00 0.00 H new ATOM 0 HA PHE A2700 -1.307 6.867 5.160 1.00 0.00 H new ATOM 0 HB2 PHE A2700 -1.204 9.149 7.163 1.00 0.00 H new ATOM 0 HB3 PHE A2700 -0.842 7.491 7.602 1.00 0.00 H new ATOM 0 HD1 PHE A2700 0.258 7.756 4.312 1.00 0.00 H new ATOM 0 HD2 PHE A2700 1.271 9.078 8.236 1.00 0.00 H new ATOM 0 HE1 PHE A2700 2.588 8.076 3.604 1.00 0.00 H new ATOM 0 HE2 PHE A2700 3.599 9.395 7.527 1.00 0.00 H new ATOM 0 HZ PHE A2700 4.264 8.893 5.211 1.00 0.00 H new