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= -4.96! C(o=-13!,f=-22!) USER MOD Set 1.2: A2654 ASN : amide:sc= -8.19! C(o=-13!,f=-18!) USER MOD Single : A2639 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2640 THR OG1 : rot -4:sc= 0.0106 USER MOD Single : A2642 THR OG1 : rot 180:sc= 0.104 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 168:sc= -2.77! (180deg=-2.79!) USER MOD Single : A2666 MET CE :methyl 167:sc= -5.89! (180deg=-7.41!) USER MOD Single : A2667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2676 ASN : amide:sc= -2.2! X(o=-2.2!,f=-2) USER MOD Single : A2686 THR OG1 : rot 59:sc= 0.182 USER MOD Single : A2690 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2691 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.71) USER MOD Single : A2692 SER OG : rot -93:sc= 0.718 USER MOD Single : A2698 SER OG : rot 180:sc=0.000438 USER MOD Single : A2699 MET CE :methyl 137:sc= -3 (180deg=-4.64!) USER MOD ----------------------------------------------------------------- ATOM 140 N ILE A2638 11.811 -5.059 3.274 1.00 0.00 N ATOM 141 CA ILE A2638 11.250 -3.724 3.179 1.00 0.00 C ATOM 142 C ILE A2638 12.187 -2.709 2.518 1.00 0.00 C ATOM 143 O ILE A2638 11.822 -1.548 2.374 1.00 0.00 O ATOM 144 CB ILE A2638 10.848 -3.207 4.568 1.00 0.00 C ATOM 145 CG1 ILE A2638 12.064 -3.168 5.498 1.00 0.00 C ATOM 146 CG2 ILE A2638 9.747 -4.078 5.156 1.00 0.00 C ATOM 147 CD1 ILE A2638 11.964 -2.113 6.577 1.00 0.00 C ATOM 0 HA ILE A2638 10.373 -3.819 2.538 1.00 0.00 H new ATOM 0 HB ILE A2638 10.466 -2.191 4.466 1.00 0.00 H new ATOM 0 HG12 ILE A2638 12.185 -4.145 5.966 1.00 0.00 H new ATOM 0 HG13 ILE A2638 12.960 -2.986 4.904 1.00 0.00 H new ATOM 0 HG21 ILE A2638 9.471 -3.701 6.141 1.00 0.00 H new ATOM 0 HG22 ILE A2638 8.876 -4.054 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A2638 10.104 -5.104 5.248 1.00 0.00 H new ATOM 0 HD11 ILE A2638 12.859 -2.142 7.198 1.00 0.00 H new ATOM 0 HD12 ILE A2638 11.874 -1.129 6.117 1.00 0.00 H new ATOM 0 HD13 ILE A2638 11.087 -2.306 7.195 1.00 0.00 H new ATOM 159 N ASN A2639 13.395 -3.110 2.131 1.00 0.00 N ATOM 160 CA ASN A2639 14.325 -2.175 1.506 1.00 0.00 C ATOM 161 C ASN A2639 13.972 -1.918 0.036 1.00 0.00 C ATOM 162 O ASN A2639 14.422 -0.934 -0.551 1.00 0.00 O ATOM 163 CB ASN A2639 15.756 -2.706 1.610 1.00 0.00 C ATOM 164 CG ASN A2639 16.438 -2.281 2.896 1.00 0.00 C ATOM 165 OD1 ASN A2639 17.182 -1.301 2.923 1.00 0.00 O ATOM 166 ND2 ASN A2639 16.187 -3.018 3.970 1.00 0.00 N ATOM 0 H ASN A2639 13.749 -4.061 2.237 1.00 0.00 H new ATOM 0 HA ASN A2639 14.247 -1.228 2.040 1.00 0.00 H new ATOM 0 HB2 ASN A2639 15.742 -3.794 1.552 1.00 0.00 H new ATOM 0 HB3 ASN A2639 16.336 -2.349 0.759 1.00 0.00 H new ATOM 0 HD21 ASN A2639 16.618 -2.780 4.864 1.00 0.00 H new ATOM 0 HD22 ASN A2639 15.563 -3.822 3.902 1.00 0.00 H new ATOM 173 N THR A2640 13.188 -2.816 -0.562 1.00 0.00 N ATOM 174 CA THR A2640 12.805 -2.685 -1.972 1.00 0.00 C ATOM 175 C THR A2640 11.687 -1.652 -2.190 1.00 0.00 C ATOM 176 O THR A2640 11.027 -1.635 -3.245 1.00 0.00 O ATOM 177 CB THR A2640 12.392 -4.049 -2.536 1.00 0.00 C ATOM 178 OG1 THR A2640 11.739 -3.903 -3.784 1.00 0.00 O ATOM 179 CG2 THR A2640 11.471 -4.825 -1.625 1.00 0.00 C ATOM 0 H THR A2640 12.806 -3.639 -0.096 1.00 0.00 H new ATOM 0 HA THR A2640 13.680 -2.319 -2.509 1.00 0.00 H new ATOM 0 HB THR A2640 13.323 -4.606 -2.640 1.00 0.00 H new ATOM 0 HG1 THR A2640 11.629 -2.950 -3.986 1.00 0.00 H new ATOM 0 HG21 THR A2640 11.220 -5.779 -2.088 1.00 0.00 H new ATOM 0 HG22 THR A2640 11.968 -5.004 -0.672 1.00 0.00 H new ATOM 0 HG23 THR A2640 10.559 -4.253 -1.457 1.00 0.00 H new ATOM 187 N LEU A2641 11.478 -0.773 -1.209 1.00 0.00 N ATOM 188 CA LEU A2641 10.463 0.254 -1.324 1.00 0.00 C ATOM 189 C LEU A2641 11.006 1.473 -2.061 1.00 0.00 C ATOM 190 O LEU A2641 10.592 2.595 -1.793 1.00 0.00 O ATOM 191 CB LEU A2641 9.970 0.680 0.053 1.00 0.00 C ATOM 192 CG LEU A2641 9.733 -0.451 1.048 1.00 0.00 C ATOM 193 CD1 LEU A2641 9.767 0.089 2.469 1.00 0.00 C ATOM 194 CD2 LEU A2641 8.407 -1.140 0.771 1.00 0.00 C ATOM 0 H LEU A2641 12.000 -0.758 -0.333 1.00 0.00 H new ATOM 0 HA LEU A2641 9.632 -0.166 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A2641 10.697 1.370 0.482 1.00 0.00 H new ATOM 0 HB3 LEU A2641 9.039 1.233 -0.069 1.00 0.00 H new ATOM 0 HG LEU A2641 10.528 -1.188 0.934 1.00 0.00 H new ATOM 0 HD11 LEU A2641 9.597 -0.726 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A2641 10.740 0.539 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A2641 8.988 0.842 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A2641 8.257 -1.944 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A2641 7.596 -0.417 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A2641 8.416 -1.554 -0.237 1.00 0.00 H new ATOM 206 N THR A2642 11.927 1.255 -2.993 1.00 0.00 N ATOM 207 CA THR A2642 12.494 2.355 -3.760 1.00 0.00 C ATOM 208 C THR A2642 11.530 2.788 -4.863 1.00 0.00 C ATOM 209 O THR A2642 11.913 3.496 -5.793 1.00 0.00 O ATOM 210 CB THR A2642 13.835 1.943 -4.371 1.00 0.00 C ATOM 211 OG1 THR A2642 13.910 0.535 -4.509 1.00 0.00 O ATOM 212 CG2 THR A2642 15.026 2.388 -3.554 1.00 0.00 C ATOM 0 H THR A2642 12.294 0.334 -3.234 1.00 0.00 H new ATOM 0 HA THR A2642 12.657 3.196 -3.086 1.00 0.00 H new ATOM 0 HB THR A2642 13.876 2.438 -5.341 1.00 0.00 H new ATOM 0 HG1 THR A2642 14.773 0.290 -4.903 1.00 0.00 H new ATOM 0 HG21 THR A2642 15.944 2.064 -4.043 1.00 0.00 H new ATOM 0 HG22 THR A2642 15.024 3.475 -3.470 1.00 0.00 H new ATOM 0 HG23 THR A2642 14.970 1.947 -2.559 1.00 0.00 H new ATOM 220 N GLY A2643 10.275 2.345 -4.758 1.00 0.00 N ATOM 221 CA GLY A2643 9.283 2.684 -5.753 1.00 0.00 C ATOM 222 C GLY A2643 8.851 1.471 -6.550 1.00 0.00 C ATOM 223 O GLY A2643 7.789 1.479 -7.175 1.00 0.00 O ATOM 0 H GLY A2643 9.934 1.757 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A2643 8.415 3.127 -5.265 1.00 0.00 H new ATOM 0 HA3 GLY A2643 9.688 3.438 -6.428 1.00 0.00 H new ATOM 227 N GLU A2644 9.693 0.433 -6.531 1.00 0.00 N ATOM 228 CA GLU A2644 9.428 -0.798 -7.266 1.00 0.00 C ATOM 229 C GLU A2644 8.585 -1.794 -6.467 1.00 0.00 C ATOM 230 O GLU A2644 7.831 -2.569 -7.056 1.00 0.00 O ATOM 231 CB GLU A2644 10.748 -1.454 -7.677 1.00 0.00 C ATOM 232 CG GLU A2644 11.181 -1.116 -9.094 1.00 0.00 C ATOM 233 CD GLU A2644 12.687 -1.144 -9.264 1.00 0.00 C ATOM 234 OE1 GLU A2644 13.292 -2.210 -9.024 1.00 0.00 O ATOM 235 OE2 GLU A2644 13.262 -0.100 -9.639 1.00 0.00 O ATOM 0 H GLU A2644 10.569 0.426 -6.009 1.00 0.00 H new ATOM 0 HA GLU A2644 8.852 -0.523 -8.150 1.00 0.00 H new ATOM 0 HB2 GLU A2644 11.530 -1.144 -6.984 1.00 0.00 H new ATOM 0 HB3 GLU A2644 10.651 -2.536 -7.584 1.00 0.00 H new ATOM 0 HG2 GLU A2644 10.727 -1.824 -9.788 1.00 0.00 H new ATOM 0 HG3 GLU A2644 10.807 -0.127 -9.358 1.00 0.00 H new ATOM 242 N GLU A2645 8.696 -1.787 -5.136 1.00 0.00 N ATOM 243 CA GLU A2645 7.915 -2.713 -4.314 1.00 0.00 C ATOM 244 C GLU A2645 6.431 -2.701 -4.688 1.00 0.00 C ATOM 245 O GLU A2645 5.868 -1.657 -5.013 1.00 0.00 O ATOM 246 CB GLU A2645 8.066 -2.353 -2.836 1.00 0.00 C ATOM 247 CG GLU A2645 8.986 -3.289 -2.079 1.00 0.00 C ATOM 248 CD GLU A2645 8.360 -4.649 -1.834 1.00 0.00 C ATOM 249 OE1 GLU A2645 7.496 -5.059 -2.638 1.00 0.00 O ATOM 250 OE2 GLU A2645 8.734 -5.304 -0.838 1.00 0.00 O ATOM 0 H GLU A2645 9.308 -1.162 -4.612 1.00 0.00 H new ATOM 0 HA GLU A2645 8.301 -3.716 -4.498 1.00 0.00 H new ATOM 0 HB2 GLU A2645 8.448 -1.336 -2.755 1.00 0.00 H new ATOM 0 HB3 GLU A2645 7.083 -2.362 -2.365 1.00 0.00 H new ATOM 0 HG2 GLU A2645 9.912 -3.415 -2.640 1.00 0.00 H new ATOM 0 HG3 GLU A2645 9.251 -2.838 -1.123 1.00 0.00 H new ATOM 257 N ARG A2646 5.804 -3.874 -4.611 1.00 0.00 N ATOM 258 CA ARG A2646 4.381 -4.014 -4.910 1.00 0.00 C ATOM 259 C ARG A2646 3.588 -4.088 -3.608 1.00 0.00 C ATOM 260 O ARG A2646 3.489 -5.148 -2.989 1.00 0.00 O ATOM 261 CB ARG A2646 4.132 -5.266 -5.753 1.00 0.00 C ATOM 262 CG ARG A2646 5.121 -5.435 -6.898 1.00 0.00 C ATOM 263 CD ARG A2646 4.421 -5.481 -8.249 1.00 0.00 C ATOM 264 NE ARG A2646 4.509 -6.802 -8.866 1.00 0.00 N ATOM 265 CZ ARG A2646 4.339 -7.026 -10.167 1.00 0.00 C ATOM 266 NH1 ARG A2646 4.067 -6.020 -10.990 1.00 0.00 N ATOM 267 NH2 ARG A2646 4.440 -8.257 -10.648 1.00 0.00 N ATOM 0 H ARG A2646 6.263 -4.745 -4.343 1.00 0.00 H new ATOM 0 HA ARG A2646 4.052 -3.145 -5.481 1.00 0.00 H new ATOM 0 HB2 ARG A2646 4.181 -6.144 -5.109 1.00 0.00 H new ATOM 0 HB3 ARG A2646 3.121 -5.225 -6.160 1.00 0.00 H new ATOM 0 HG2 ARG A2646 5.834 -4.611 -6.886 1.00 0.00 H new ATOM 0 HG3 ARG A2646 5.691 -6.352 -6.753 1.00 0.00 H new ATOM 0 HD2 ARG A2646 3.373 -5.208 -8.124 1.00 0.00 H new ATOM 0 HD3 ARG A2646 4.866 -4.740 -8.913 1.00 0.00 H new ATOM 0 HE ARG A2646 4.713 -7.600 -8.264 1.00 0.00 H new ATOM 0 HH11 ARG A2646 3.988 -5.070 -10.626 1.00 0.00 H new ATOM 0 HH12 ARG A2646 3.938 -6.197 -11.986 1.00 0.00 H new ATOM 0 HH21 ARG A2646 4.648 -9.034 -10.021 1.00 0.00 H new ATOM 0 HH22 ARG A2646 4.309 -8.427 -11.645 1.00 0.00 H new ATOM 281 N VAL A2647 3.064 -2.948 -3.175 1.00 0.00 N ATOM 282 CA VAL A2647 2.323 -2.872 -1.919 1.00 0.00 C ATOM 283 C VAL A2647 0.959 -3.565 -1.990 1.00 0.00 C ATOM 284 O VAL A2647 0.163 -3.298 -2.889 1.00 0.00 O ATOM 285 CB VAL A2647 2.119 -1.410 -1.489 1.00 0.00 C ATOM 286 CG1 VAL A2647 1.402 -1.336 -0.148 1.00 0.00 C ATOM 287 CG2 VAL A2647 3.455 -0.686 -1.426 1.00 0.00 C ATOM 0 H VAL A2647 3.138 -2.062 -3.675 1.00 0.00 H new ATOM 0 HA VAL A2647 2.930 -3.397 -1.181 1.00 0.00 H new ATOM 0 HB VAL A2647 1.494 -0.917 -2.233 1.00 0.00 H new ATOM 0 HG11 VAL A2647 1.269 -0.292 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A2647 0.427 -1.817 -0.229 1.00 0.00 H new ATOM 0 HG13 VAL A2647 1.996 -1.846 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A2647 3.295 0.348 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A2647 4.104 -1.182 -0.704 1.00 0.00 H new ATOM 0 HG23 VAL A2647 3.926 -0.705 -2.409 1.00 0.00 H new ATOM 297 N PRO A2648 0.668 -4.459 -1.019 1.00 0.00 N ATOM 298 CA PRO A2648 -0.606 -5.181 -0.951 1.00 0.00 C ATOM 299 C PRO A2648 -1.756 -4.282 -0.522 1.00 0.00 C ATOM 300 O PRO A2648 -1.639 -3.522 0.445 1.00 0.00 O ATOM 301 CB PRO A2648 -0.369 -6.262 0.117 1.00 0.00 C ATOM 302 CG PRO A2648 1.094 -6.234 0.400 1.00 0.00 C ATOM 303 CD PRO A2648 1.544 -4.835 0.096 1.00 0.00 C ATOM 0 HA PRO A2648 -0.886 -5.580 -1.926 1.00 0.00 H new ATOM 0 HB2 PRO A2648 -0.946 -6.055 1.018 1.00 0.00 H new ATOM 0 HB3 PRO A2648 -0.680 -7.243 -0.243 1.00 0.00 H new ATOM 0 HG2 PRO A2648 1.296 -6.492 1.440 1.00 0.00 H new ATOM 0 HG3 PRO A2648 1.625 -6.958 -0.217 1.00 0.00 H new ATOM 0 HD2 PRO A2648 1.419 -4.173 0.953 1.00 0.00 H new ATOM 0 HD3 PRO A2648 2.597 -4.798 -0.184 1.00 0.00 H new ATOM 311 N VAL A2649 -2.875 -4.382 -1.230 1.00 0.00 N ATOM 312 CA VAL A2649 -4.050 -3.585 -0.910 1.00 0.00 C ATOM 313 C VAL A2649 -5.238 -4.477 -0.607 1.00 0.00 C ATOM 314 O VAL A2649 -5.469 -5.477 -1.287 1.00 0.00 O ATOM 315 CB VAL A2649 -4.419 -2.632 -2.063 1.00 0.00 C ATOM 316 CG1 VAL A2649 -3.461 -1.452 -2.104 1.00 0.00 C ATOM 317 CG2 VAL A2649 -4.427 -3.374 -3.393 1.00 0.00 C ATOM 0 H VAL A2649 -2.992 -5.006 -2.028 1.00 0.00 H new ATOM 0 HA VAL A2649 -3.803 -2.992 -0.029 1.00 0.00 H new ATOM 0 HB VAL A2649 -5.424 -2.249 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A2649 -3.736 -0.789 -2.924 1.00 0.00 H new ATOM 0 HG12 VAL A2649 -3.515 -0.906 -1.162 1.00 0.00 H new ATOM 0 HG13 VAL A2649 -2.444 -1.814 -2.255 1.00 0.00 H new ATOM 0 HG21 VAL A2649 -4.690 -2.683 -4.194 1.00 0.00 H new ATOM 0 HG22 VAL A2649 -3.438 -3.790 -3.583 1.00 0.00 H new ATOM 0 HG23 VAL A2649 -5.159 -4.181 -3.355 1.00 0.00 H new ATOM 327 N VAL A2650 -5.993 -4.108 0.418 1.00 0.00 N ATOM 328 CA VAL A2650 -7.160 -4.878 0.804 1.00 0.00 C ATOM 329 C VAL A2650 -8.408 -4.012 0.810 1.00 0.00 C ATOM 330 O VAL A2650 -8.403 -2.890 1.328 1.00 0.00 O ATOM 331 CB VAL A2650 -7.010 -5.543 2.196 1.00 0.00 C ATOM 332 CG1 VAL A2650 -7.457 -6.996 2.139 1.00 0.00 C ATOM 333 CG2 VAL A2650 -5.581 -5.445 2.720 1.00 0.00 C ATOM 0 H VAL A2650 -5.817 -3.284 0.993 1.00 0.00 H new ATOM 0 HA VAL A2650 -7.254 -5.667 0.058 1.00 0.00 H new ATOM 0 HB VAL A2650 -7.651 -5.001 2.891 1.00 0.00 H new ATOM 0 HG11 VAL A2650 -7.346 -7.450 3.124 1.00 0.00 H new ATOM 0 HG12 VAL A2650 -8.502 -7.043 1.833 1.00 0.00 H new ATOM 0 HG13 VAL A2650 -6.844 -7.537 1.419 1.00 0.00 H new ATOM 0 HG21 VAL A2650 -5.518 -5.923 3.698 1.00 0.00 H new ATOM 0 HG22 VAL A2650 -4.904 -5.946 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A2650 -5.298 -4.396 2.810 1.00 0.00 H new ATOM 343 N ASN A2651 -9.478 -4.545 0.239 1.00 0.00 N ATOM 344 CA ASN A2651 -10.749 -3.838 0.186 1.00 0.00 C ATOM 345 C ASN A2651 -11.323 -3.712 1.589 1.00 0.00 C ATOM 346 O ASN A2651 -11.399 -4.691 2.331 1.00 0.00 O ATOM 347 CB ASN A2651 -11.744 -4.562 -0.725 1.00 0.00 C ATOM 348 CG ASN A2651 -13.030 -3.776 -0.904 1.00 0.00 C ATOM 349 OD1 ASN A2651 -13.715 -3.462 0.065 1.00 0.00 O ATOM 350 ND2 ASN A2651 -13.366 -3.457 -2.147 1.00 0.00 N ATOM 0 H ASN A2651 -9.491 -5.468 -0.195 1.00 0.00 H new ATOM 0 HA ASN A2651 -10.574 -2.844 -0.227 1.00 0.00 H new ATOM 0 HB2 ASN A2651 -11.285 -4.733 -1.699 1.00 0.00 H new ATOM 0 HB3 ASN A2651 -11.974 -5.541 -0.305 1.00 0.00 H new ATOM 0 HD21 ASN A2651 -14.222 -2.931 -2.325 1.00 0.00 H new ATOM 0 HD22 ASN A2651 -12.769 -3.737 -2.925 1.00 0.00 H new ATOM 357 N LYS A2652 -11.693 -2.498 1.956 1.00 0.00 N ATOM 358 CA LYS A2652 -12.226 -2.229 3.285 1.00 0.00 C ATOM 359 C LYS A2652 -13.588 -2.884 3.511 1.00 0.00 C ATOM 360 O LYS A2652 -13.964 -3.158 4.650 1.00 0.00 O ATOM 361 CB LYS A2652 -12.337 -0.718 3.505 1.00 0.00 C ATOM 362 CG LYS A2652 -11.176 0.072 2.915 1.00 0.00 C ATOM 363 CD LYS A2652 -10.505 0.951 3.961 1.00 0.00 C ATOM 364 CE LYS A2652 -9.984 0.130 5.131 1.00 0.00 C ATOM 365 NZ LYS A2652 -10.448 0.670 6.438 1.00 0.00 N ATOM 0 H LYS A2652 -11.635 -1.678 1.352 1.00 0.00 H new ATOM 0 HA LYS A2652 -11.532 -2.663 4.005 1.00 0.00 H new ATOM 0 HB2 LYS A2652 -13.268 -0.363 3.064 1.00 0.00 H new ATOM 0 HB3 LYS A2652 -12.394 -0.519 4.575 1.00 0.00 H new ATOM 0 HG2 LYS A2652 -10.444 -0.617 2.494 1.00 0.00 H new ATOM 0 HG3 LYS A2652 -11.537 0.693 2.095 1.00 0.00 H new ATOM 0 HD2 LYS A2652 -9.680 1.497 3.503 1.00 0.00 H new ATOM 0 HD3 LYS A2652 -11.216 1.693 4.324 1.00 0.00 H new ATOM 0 HE2 LYS A2652 -10.316 -0.903 5.026 1.00 0.00 H new ATOM 0 HE3 LYS A2652 -8.894 0.118 5.109 1.00 0.00 H new ATOM 0 HZ1 LYS A2652 -10.072 0.083 7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A2652 -10.110 1.647 6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A2652 -11.487 0.658 6.469 1.00 0.00 H new ATOM 379 N ARG A2653 -14.341 -3.110 2.438 1.00 0.00 N ATOM 380 CA ARG A2653 -15.672 -3.701 2.556 1.00 0.00 C ATOM 381 C ARG A2653 -15.685 -5.208 2.287 1.00 0.00 C ATOM 382 O ARG A2653 -16.083 -5.992 3.148 1.00 0.00 O ATOM 383 CB ARG A2653 -16.632 -3.008 1.587 1.00 0.00 C ATOM 384 CG ARG A2653 -17.037 -1.610 2.027 1.00 0.00 C ATOM 385 CD ARG A2653 -18.498 -1.326 1.715 1.00 0.00 C ATOM 386 NE ARG A2653 -18.698 -0.957 0.315 1.00 0.00 N ATOM 387 CZ ARG A2653 -19.107 -1.800 -0.633 1.00 0.00 C ATOM 388 NH1 ARG A2653 -19.363 -3.071 -0.343 1.00 0.00 N ATOM 389 NH2 ARG A2653 -19.262 -1.372 -1.877 1.00 0.00 N ATOM 0 H ARG A2653 -14.055 -2.895 1.483 1.00 0.00 H new ATOM 0 HA ARG A2653 -15.991 -3.554 3.588 1.00 0.00 H new ATOM 0 HB2 ARG A2653 -16.164 -2.949 0.605 1.00 0.00 H new ATOM 0 HB3 ARG A2653 -17.528 -3.619 1.477 1.00 0.00 H new ATOM 0 HG2 ARG A2653 -16.865 -1.501 3.098 1.00 0.00 H new ATOM 0 HG3 ARG A2653 -16.408 -0.874 1.527 1.00 0.00 H new ATOM 0 HD2 ARG A2653 -19.096 -2.207 1.946 1.00 0.00 H new ATOM 0 HD3 ARG A2653 -18.856 -0.521 2.357 1.00 0.00 H new ATOM 0 HE ARG A2653 -18.512 0.009 0.046 1.00 0.00 H new ATOM 0 HH11 ARG A2653 -19.247 -3.410 0.612 1.00 0.00 H new ATOM 0 HH12 ARG A2653 -19.676 -3.708 -1.076 1.00 0.00 H new ATOM 0 HH21 ARG A2653 -19.068 -0.398 -2.109 1.00 0.00 H new ATOM 0 HH22 ARG A2653 -19.575 -2.017 -2.603 1.00 0.00 H new ATOM 403 N ASN A2654 -15.286 -5.608 1.082 1.00 0.00 N ATOM 404 CA ASN A2654 -15.298 -7.028 0.713 1.00 0.00 C ATOM 405 C ASN A2654 -14.068 -7.777 1.223 1.00 0.00 C ATOM 406 O ASN A2654 -14.064 -9.008 1.259 1.00 0.00 O ATOM 407 CB ASN A2654 -15.429 -7.210 -0.807 1.00 0.00 C ATOM 408 CG ASN A2654 -14.766 -6.106 -1.603 1.00 0.00 C ATOM 409 OD1 ASN A2654 -15.318 -5.016 -1.754 1.00 0.00 O ATOM 410 ND2 ASN A2654 -13.577 -6.385 -2.122 1.00 0.00 N ATOM 0 H ASN A2654 -14.954 -4.980 0.350 1.00 0.00 H new ATOM 0 HA ASN A2654 -16.173 -7.460 1.199 1.00 0.00 H new ATOM 0 HB2 ASN A2654 -14.990 -8.166 -1.090 1.00 0.00 H new ATOM 0 HB3 ASN A2654 -16.486 -7.254 -1.071 1.00 0.00 H new ATOM 0 HD21 ASN A2654 -13.083 -5.682 -2.672 1.00 0.00 H new ATOM 0 HD22 ASN A2654 -13.157 -7.302 -1.971 1.00 0.00 H new ATOM 417 N GLY A2655 -13.036 -7.050 1.635 1.00 0.00 N ATOM 418 CA GLY A2655 -11.843 -7.696 2.154 1.00 0.00 C ATOM 419 C GLY A2655 -10.896 -8.197 1.075 1.00 0.00 C ATOM 420 O GLY A2655 -9.858 -8.780 1.389 1.00 0.00 O ATOM 0 H GLY A2655 -13.003 -6.031 1.620 1.00 0.00 H new ATOM 0 HA2 GLY A2655 -11.310 -6.993 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A2655 -12.140 -8.536 2.782 1.00 0.00 H new ATOM 424 N LYS A2656 -11.237 -7.974 -0.195 1.00 0.00 N ATOM 425 CA LYS A2656 -10.383 -8.416 -1.299 1.00 0.00 C ATOM 426 C LYS A2656 -8.937 -8.018 -1.037 1.00 0.00 C ATOM 427 O LYS A2656 -8.625 -6.839 -0.899 1.00 0.00 O ATOM 428 CB LYS A2656 -10.864 -7.823 -2.627 1.00 0.00 C ATOM 429 CG LYS A2656 -9.945 -8.122 -3.801 1.00 0.00 C ATOM 430 CD LYS A2656 -10.717 -8.665 -4.994 1.00 0.00 C ATOM 431 CE LYS A2656 -10.947 -10.163 -4.878 1.00 0.00 C ATOM 432 NZ LYS A2656 -12.354 -10.535 -5.191 1.00 0.00 N ATOM 0 H LYS A2656 -12.090 -7.495 -0.483 1.00 0.00 H new ATOM 0 HA LYS A2656 -10.443 -9.502 -1.367 1.00 0.00 H new ATOM 0 HB2 LYS A2656 -11.859 -8.210 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS A2656 -10.960 -6.743 -2.518 1.00 0.00 H new ATOM 0 HG2 LYS A2656 -9.418 -7.213 -4.091 1.00 0.00 H new ATOM 0 HG3 LYS A2656 -9.189 -8.846 -3.497 1.00 0.00 H new ATOM 0 HD2 LYS A2656 -11.677 -8.154 -5.070 1.00 0.00 H new ATOM 0 HD3 LYS A2656 -10.168 -8.451 -5.911 1.00 0.00 H new ATOM 0 HE2 LYS A2656 -10.274 -10.687 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A2656 -10.701 -10.491 -3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A2656 -12.469 -11.565 -5.100 1.00 0.00 H new ATOM 0 HZ2 LYS A2656 -12.996 -10.055 -4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A2656 -12.581 -10.245 -6.164 1.00 0.00 H new ATOM 446 N LYS A2657 -8.063 -9.013 -0.959 1.00 0.00 N ATOM 447 CA LYS A2657 -6.651 -8.769 -0.695 1.00 0.00 C ATOM 448 C LYS A2657 -5.793 -9.112 -1.905 1.00 0.00 C ATOM 449 O LYS A2657 -5.984 -10.145 -2.546 1.00 0.00 O ATOM 450 CB LYS A2657 -6.193 -9.586 0.513 1.00 0.00 C ATOM 451 CG LYS A2657 -4.816 -9.195 1.023 1.00 0.00 C ATOM 452 CD LYS A2657 -3.717 -9.949 0.292 1.00 0.00 C ATOM 453 CE LYS A2657 -2.636 -10.425 1.249 1.00 0.00 C ATOM 454 NZ LYS A2657 -1.443 -9.535 1.229 1.00 0.00 N ATOM 0 H LYS A2657 -8.307 -9.997 -1.075 1.00 0.00 H new ATOM 0 HA LYS A2657 -6.530 -7.707 -0.482 1.00 0.00 H new ATOM 0 HB2 LYS A2657 -6.918 -9.466 1.318 1.00 0.00 H new ATOM 0 HB3 LYS A2657 -6.186 -10.643 0.245 1.00 0.00 H new ATOM 0 HG2 LYS A2657 -4.670 -8.122 0.895 1.00 0.00 H new ATOM 0 HG3 LYS A2657 -4.751 -9.400 2.092 1.00 0.00 H new ATOM 0 HD2 LYS A2657 -4.146 -10.805 -0.229 1.00 0.00 H new ATOM 0 HD3 LYS A2657 -3.274 -9.304 -0.467 1.00 0.00 H new ATOM 0 HE2 LYS A2657 -3.040 -10.467 2.260 1.00 0.00 H new ATOM 0 HE3 LYS A2657 -2.337 -11.439 0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A2657 -0.730 -9.895 1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A2657 -1.041 -9.514 0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A2657 -1.723 -8.573 1.508 1.00 0.00 H new ATOM 468 N MET A2658 -4.848 -8.233 -2.206 1.00 0.00 N ATOM 469 CA MET A2658 -3.950 -8.430 -3.339 1.00 0.00 C ATOM 470 C MET A2658 -2.514 -8.056 -2.973 1.00 0.00 C ATOM 471 O MET A2658 -2.197 -6.878 -2.806 1.00 0.00 O ATOM 472 CB MET A2658 -4.414 -7.598 -4.539 1.00 0.00 C ATOM 473 CG MET A2658 -5.915 -7.349 -4.573 1.00 0.00 C ATOM 474 SD MET A2658 -6.505 -6.904 -6.217 1.00 0.00 S ATOM 475 CE MET A2658 -7.736 -5.668 -5.812 1.00 0.00 C ATOM 0 H MET A2658 -4.682 -7.374 -1.681 1.00 0.00 H new ATOM 0 HA MET A2658 -3.974 -9.487 -3.606 1.00 0.00 H new ATOM 0 HB2 MET A2658 -3.897 -6.639 -4.525 1.00 0.00 H new ATOM 0 HB3 MET A2658 -4.119 -8.106 -5.457 1.00 0.00 H new ATOM 0 HG2 MET A2658 -6.436 -8.244 -4.234 1.00 0.00 H new ATOM 0 HG3 MET A2658 -6.163 -6.551 -3.873 1.00 0.00 H new ATOM 0 HE1 MET A2658 -8.039 -5.145 -6.719 1.00 0.00 H new ATOM 0 HE2 MET A2658 -8.604 -6.152 -5.365 1.00 0.00 H new ATOM 0 HE3 MET A2658 -7.315 -4.953 -5.105 1.00 0.00 H new ATOM 526 N ALA A2663 -1.632 -5.693 -6.978 1.00 0.00 N ATOM 527 CA ALA A2663 -1.556 -4.516 -6.123 1.00 0.00 C ATOM 528 C ALA A2663 -0.668 -3.425 -6.721 1.00 0.00 C ATOM 529 O ALA A2663 0.121 -3.676 -7.632 1.00 0.00 O ATOM 530 CB ALA A2663 -1.064 -4.904 -4.744 1.00 0.00 C ATOM 0 HA ALA A2663 -2.562 -4.103 -6.043 1.00 0.00 H new ATOM 0 HB1 ALA A2663 -1.011 -4.016 -4.114 1.00 0.00 H new ATOM 0 HB2 ALA A2663 -1.753 -5.623 -4.301 1.00 0.00 H new ATOM 0 HB3 ALA A2663 -0.073 -5.352 -4.824 1.00 0.00 H new ATOM 536 N PRO A2664 -0.815 -2.188 -6.217 1.00 0.00 N ATOM 537 CA PRO A2664 -0.056 -1.022 -6.693 1.00 0.00 C ATOM 538 C PRO A2664 1.395 -0.977 -6.214 1.00 0.00 C ATOM 539 O PRO A2664 1.743 -1.535 -5.167 1.00 0.00 O ATOM 540 CB PRO A2664 -0.828 0.148 -6.089 1.00 0.00 C ATOM 541 CG PRO A2664 -1.406 -0.401 -4.835 1.00 0.00 C ATOM 542 CD PRO A2664 -1.764 -1.824 -5.147 1.00 0.00 C ATOM 0 HA PRO A2664 0.021 -1.025 -7.780 1.00 0.00 H new ATOM 0 HB2 PRO A2664 -0.172 0.995 -5.887 1.00 0.00 H new ATOM 0 HB3 PRO A2664 -1.607 0.502 -6.765 1.00 0.00 H new ATOM 0 HG2 PRO A2664 -0.689 -0.347 -4.016 1.00 0.00 H new ATOM 0 HG3 PRO A2664 -2.284 0.166 -4.527 1.00 0.00 H new ATOM 0 HD2 PRO A2664 -1.652 -2.467 -4.274 1.00 0.00 H new ATOM 0 HD3 PRO A2664 -2.798 -1.915 -5.479 1.00 0.00 H new ATOM 550 N PRO A2665 2.261 -0.285 -6.979 1.00 0.00 N ATOM 551 CA PRO A2665 3.671 -0.133 -6.650 1.00 0.00 C ATOM 552 C PRO A2665 3.927 1.083 -5.760 1.00 0.00 C ATOM 553 O PRO A2665 3.209 2.085 -5.826 1.00 0.00 O ATOM 554 CB PRO A2665 4.311 0.054 -8.020 1.00 0.00 C ATOM 555 CG PRO A2665 3.277 0.768 -8.827 1.00 0.00 C ATOM 556 CD PRO A2665 1.928 0.419 -8.233 1.00 0.00 C ATOM 0 HA PRO A2665 4.067 -0.978 -6.086 1.00 0.00 H new ATOM 0 HB2 PRO A2665 5.231 0.635 -7.951 1.00 0.00 H new ATOM 0 HB3 PRO A2665 4.572 -0.904 -8.469 1.00 0.00 H new ATOM 0 HG2 PRO A2665 3.443 1.845 -8.799 1.00 0.00 H new ATOM 0 HG3 PRO A2665 3.327 0.465 -9.873 1.00 0.00 H new ATOM 0 HD2 PRO A2665 1.332 1.312 -8.043 1.00 0.00 H new ATOM 0 HD3 PRO A2665 1.348 -0.214 -8.904 1.00 0.00 H new ATOM 564 N MET A2666 4.941 0.972 -4.913 1.00 0.00 N ATOM 565 CA MET A2666 5.299 2.036 -3.978 1.00 0.00 C ATOM 566 C MET A2666 5.274 3.423 -4.624 1.00 0.00 C ATOM 567 O MET A2666 4.697 4.359 -4.071 1.00 0.00 O ATOM 568 CB MET A2666 6.687 1.777 -3.393 1.00 0.00 C ATOM 569 CG MET A2666 6.759 1.981 -1.894 1.00 0.00 C ATOM 570 SD MET A2666 6.372 0.476 -0.984 1.00 0.00 S ATOM 571 CE MET A2666 5.852 1.157 0.584 1.00 0.00 C ATOM 0 H MET A2666 5.538 0.147 -4.853 1.00 0.00 H new ATOM 0 HA MET A2666 4.547 2.026 -3.189 1.00 0.00 H new ATOM 0 HB2 MET A2666 6.986 0.755 -3.627 1.00 0.00 H new ATOM 0 HB3 MET A2666 7.406 2.439 -3.877 1.00 0.00 H new ATOM 0 HG2 MET A2666 7.759 2.321 -1.623 1.00 0.00 H new ATOM 0 HG3 MET A2666 6.064 2.769 -1.602 1.00 0.00 H new ATOM 0 HE1 MET A2666 5.365 0.381 1.174 1.00 0.00 H new ATOM 0 HE2 MET A2666 6.721 1.532 1.124 1.00 0.00 H new ATOM 0 HE3 MET A2666 5.152 1.975 0.411 1.00 0.00 H new ATOM 581 N LYS A2667 5.939 3.564 -5.767 1.00 0.00 N ATOM 582 CA LYS A2667 6.024 4.860 -6.441 1.00 0.00 C ATOM 583 C LYS A2667 4.695 5.330 -7.053 1.00 0.00 C ATOM 584 O LYS A2667 4.629 6.428 -7.605 1.00 0.00 O ATOM 585 CB LYS A2667 7.120 4.822 -7.511 1.00 0.00 C ATOM 586 CG LYS A2667 6.704 4.150 -8.812 1.00 0.00 C ATOM 587 CD LYS A2667 6.916 5.069 -10.005 1.00 0.00 C ATOM 588 CE LYS A2667 7.897 4.475 -11.003 1.00 0.00 C ATOM 589 NZ LYS A2667 7.462 4.697 -12.410 1.00 0.00 N ATOM 0 H LYS A2667 6.424 2.804 -6.245 1.00 0.00 H new ATOM 0 HA LYS A2667 6.275 5.591 -5.672 1.00 0.00 H new ATOM 0 HB2 LYS A2667 7.435 5.843 -7.728 1.00 0.00 H new ATOM 0 HB3 LYS A2667 7.987 4.300 -7.107 1.00 0.00 H new ATOM 0 HG2 LYS A2667 7.279 3.234 -8.950 1.00 0.00 H new ATOM 0 HG3 LYS A2667 5.654 3.862 -8.755 1.00 0.00 H new ATOM 0 HD2 LYS A2667 5.961 5.252 -10.498 1.00 0.00 H new ATOM 0 HD3 LYS A2667 7.287 6.034 -9.660 1.00 0.00 H new ATOM 0 HE2 LYS A2667 8.881 4.919 -10.853 1.00 0.00 H new ATOM 0 HE3 LYS A2667 7.999 3.405 -10.819 1.00 0.00 H new ATOM 0 HZ1 LYS A2667 8.158 4.277 -13.059 1.00 0.00 H new ATOM 0 HZ2 LYS A2667 6.535 4.251 -12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A2667 7.389 5.718 -12.594 1.00 0.00 H new ATOM 603 N ASP A2668 3.641 4.519 -6.964 1.00 0.00 N ATOM 604 CA ASP A2668 2.344 4.911 -7.530 1.00 0.00 C ATOM 605 C ASP A2668 1.191 4.714 -6.541 1.00 0.00 C ATOM 606 O ASP A2668 0.039 5.011 -6.859 1.00 0.00 O ATOM 607 CB ASP A2668 2.062 4.127 -8.812 1.00 0.00 C ATOM 608 CG ASP A2668 3.098 4.391 -9.889 1.00 0.00 C ATOM 609 OD1 ASP A2668 3.074 5.493 -10.477 1.00 0.00 O ATOM 610 OD2 ASP A2668 3.931 3.497 -10.143 1.00 0.00 O ATOM 0 H ASP A2668 3.654 3.603 -6.515 1.00 0.00 H new ATOM 0 HA ASP A2668 2.407 5.975 -7.756 1.00 0.00 H new ATOM 0 HB2 ASP A2668 2.040 3.061 -8.586 1.00 0.00 H new ATOM 0 HB3 ASP A2668 1.074 4.393 -9.188 1.00 0.00 H new ATOM 615 N LEU A2669 1.501 4.210 -5.351 1.00 0.00 N ATOM 616 CA LEU A2669 0.481 3.968 -4.324 1.00 0.00 C ATOM 617 C LEU A2669 -0.533 5.116 -4.212 1.00 0.00 C ATOM 618 O LEU A2669 -1.732 4.870 -4.094 1.00 0.00 O ATOM 619 CB LEU A2669 1.138 3.742 -2.961 1.00 0.00 C ATOM 620 CG LEU A2669 2.151 2.604 -2.914 1.00 0.00 C ATOM 621 CD1 LEU A2669 2.810 2.541 -1.544 1.00 0.00 C ATOM 622 CD2 LEU A2669 1.477 1.283 -3.250 1.00 0.00 C ATOM 0 H LEU A2669 2.449 3.960 -5.069 1.00 0.00 H new ATOM 0 HA LEU A2669 -0.062 3.074 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A2669 1.635 4.663 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU A2669 0.357 3.544 -2.227 1.00 0.00 H new ATOM 0 HG LEU A2669 2.925 2.792 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU A2669 3.531 1.724 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A2669 3.322 3.482 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A2669 2.049 2.372 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A2669 2.212 0.479 -3.213 1.00 0.00 H new ATOM 0 HD22 LEU A2669 0.685 1.084 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A2669 1.049 1.337 -4.251 1.00 0.00 H new ATOM 634 N PRO A2670 -0.073 6.383 -4.222 1.00 0.00 N ATOM 635 CA PRO A2670 -0.962 7.548 -4.095 1.00 0.00 C ATOM 636 C PRO A2670 -1.928 7.697 -5.268 1.00 0.00 C ATOM 637 O PRO A2670 -3.070 8.139 -5.098 1.00 0.00 O ATOM 638 CB PRO A2670 0.002 8.742 -4.052 1.00 0.00 C ATOM 639 CG PRO A2670 1.338 8.159 -3.737 1.00 0.00 C ATOM 640 CD PRO A2670 1.338 6.785 -4.337 1.00 0.00 C ATOM 0 HA PRO A2670 -1.600 7.459 -3.216 1.00 0.00 H new ATOM 0 HB2 PRO A2670 0.018 9.269 -5.006 1.00 0.00 H new ATOM 0 HB3 PRO A2670 -0.300 9.464 -3.294 1.00 0.00 H new ATOM 0 HG2 PRO A2670 2.139 8.768 -4.156 1.00 0.00 H new ATOM 0 HG3 PRO A2670 1.501 8.115 -2.660 1.00 0.00 H new ATOM 0 HD2 PRO A2670 1.673 6.796 -5.374 1.00 0.00 H new ATOM 0 HD3 PRO A2670 1.998 6.107 -3.796 1.00 0.00 H new ATOM 648 N ARG A2671 -1.479 7.291 -6.447 1.00 0.00 N ATOM 649 CA ARG A2671 -2.315 7.358 -7.637 1.00 0.00 C ATOM 650 C ARG A2671 -3.333 6.234 -7.599 1.00 0.00 C ATOM 651 O ARG A2671 -4.539 6.455 -7.715 1.00 0.00 O ATOM 652 CB ARG A2671 -1.458 7.261 -8.901 1.00 0.00 C ATOM 653 CG ARG A2671 -1.705 8.389 -9.890 1.00 0.00 C ATOM 654 CD ARG A2671 -0.887 9.622 -9.544 1.00 0.00 C ATOM 655 NE ARG A2671 0.523 9.459 -9.889 1.00 0.00 N ATOM 656 CZ ARG A2671 1.502 10.204 -9.379 1.00 0.00 C ATOM 657 NH1 ARG A2671 1.229 11.164 -8.503 1.00 0.00 N ATOM 658 NH2 ARG A2671 2.758 9.988 -9.745 1.00 0.00 N ATOM 0 H ARG A2671 -0.545 6.913 -6.605 1.00 0.00 H new ATOM 0 HA ARG A2671 -2.836 8.315 -7.655 1.00 0.00 H new ATOM 0 HB2 ARG A2671 -0.406 7.261 -8.618 1.00 0.00 H new ATOM 0 HB3 ARG A2671 -1.656 6.308 -9.392 1.00 0.00 H new ATOM 0 HG2 ARG A2671 -1.452 8.054 -10.896 1.00 0.00 H new ATOM 0 HG3 ARG A2671 -2.765 8.644 -9.896 1.00 0.00 H new ATOM 0 HD2 ARG A2671 -1.292 10.485 -10.072 1.00 0.00 H new ATOM 0 HD3 ARG A2671 -0.978 9.829 -8.478 1.00 0.00 H new ATOM 0 HE ARG A2671 0.772 8.732 -10.560 1.00 0.00 H new ATOM 0 HH11 ARG A2671 0.265 11.334 -8.217 1.00 0.00 H new ATOM 0 HH12 ARG A2671 1.983 11.731 -8.116 1.00 0.00 H new ATOM 0 HH21 ARG A2671 2.974 9.252 -10.417 1.00 0.00 H new ATOM 0 HH22 ARG A2671 3.508 10.558 -9.355 1.00 0.00 H new ATOM 672 N TRP A2672 -2.827 5.023 -7.423 1.00 0.00 N ATOM 673 CA TRP A2672 -3.665 3.842 -7.351 1.00 0.00 C ATOM 674 C TRP A2672 -4.685 3.971 -6.232 1.00 0.00 C ATOM 675 O TRP A2672 -5.863 3.668 -6.421 1.00 0.00 O ATOM 676 CB TRP A2672 -2.796 2.612 -7.132 1.00 0.00 C ATOM 677 CG TRP A2672 -3.547 1.319 -7.171 1.00 0.00 C ATOM 678 CD1 TRP A2672 -3.583 0.428 -8.204 1.00 0.00 C ATOM 679 CD2 TRP A2672 -4.344 0.756 -6.123 1.00 0.00 C ATOM 680 NE1 TRP A2672 -4.349 -0.659 -7.861 1.00 0.00 N ATOM 681 CE2 TRP A2672 -4.827 -0.480 -6.590 1.00 0.00 C ATOM 682 CE3 TRP A2672 -4.698 1.173 -4.835 1.00 0.00 C ATOM 683 CZ2 TRP A2672 -5.637 -1.301 -5.816 1.00 0.00 C ATOM 684 CZ3 TRP A2672 -5.504 0.355 -4.069 1.00 0.00 C ATOM 685 CH2 TRP A2672 -5.963 -0.870 -4.562 1.00 0.00 C ATOM 0 H TRP A2672 -1.829 4.834 -7.327 1.00 0.00 H new ATOM 0 HA TRP A2672 -4.206 3.739 -8.292 1.00 0.00 H new ATOM 0 HB2 TRP A2672 -2.017 2.590 -7.894 1.00 0.00 H new ATOM 0 HB3 TRP A2672 -2.296 2.701 -6.167 1.00 0.00 H new ATOM 0 HD1 TRP A2672 -3.083 0.559 -9.152 1.00 0.00 H new ATOM 0 HE1 TRP A2672 -4.532 -1.467 -8.455 1.00 0.00 H new ATOM 0 HE3 TRP A2672 -4.347 2.118 -4.447 1.00 0.00 H new ATOM 0 HZ2 TRP A2672 -5.996 -2.247 -6.193 1.00 0.00 H new ATOM 0 HZ3 TRP A2672 -5.784 0.666 -3.074 1.00 0.00 H new ATOM 0 HH2 TRP A2672 -6.589 -1.489 -3.937 1.00 0.00 H new ATOM 696 N LEU A2673 -4.240 4.432 -5.064 1.00 0.00 N ATOM 697 CA LEU A2673 -5.149 4.600 -3.943 1.00 0.00 C ATOM 698 C LEU A2673 -6.250 5.573 -4.322 1.00 0.00 C ATOM 699 O LEU A2673 -7.434 5.249 -4.221 1.00 0.00 O ATOM 700 CB LEU A2673 -4.407 5.083 -2.703 1.00 0.00 C ATOM 701 CG LEU A2673 -4.059 3.968 -1.720 1.00 0.00 C ATOM 702 CD1 LEU A2673 -5.325 3.333 -1.165 1.00 0.00 C ATOM 703 CD2 LEU A2673 -3.188 2.917 -2.396 1.00 0.00 C ATOM 0 H LEU A2673 -3.272 4.691 -4.875 1.00 0.00 H new ATOM 0 HA LEU A2673 -5.593 3.633 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A2673 -3.489 5.582 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A2673 -5.018 5.827 -2.192 1.00 0.00 H new ATOM 0 HG LEU A2673 -3.499 4.400 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A2673 -5.058 2.540 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A2673 -5.915 4.090 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A2673 -5.910 2.913 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A2673 -2.949 2.129 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A2673 -3.725 2.489 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A2673 -2.266 3.380 -2.748 1.00 0.00 H new ATOM 715 N GLU A2674 -5.866 6.767 -4.778 1.00 0.00 N ATOM 716 CA GLU A2674 -6.852 7.760 -5.187 1.00 0.00 C ATOM 717 C GLU A2674 -7.846 7.132 -6.159 1.00 0.00 C ATOM 718 O GLU A2674 -9.023 7.495 -6.189 1.00 0.00 O ATOM 719 CB GLU A2674 -6.164 8.966 -5.834 1.00 0.00 C ATOM 720 CG GLU A2674 -5.970 10.135 -4.883 1.00 0.00 C ATOM 721 CD GLU A2674 -5.045 11.197 -5.444 1.00 0.00 C ATOM 722 OE1 GLU A2674 -3.897 11.299 -4.963 1.00 0.00 O ATOM 723 OE2 GLU A2674 -5.469 11.927 -6.365 1.00 0.00 O ATOM 0 H GLU A2674 -4.895 7.064 -4.871 1.00 0.00 H new ATOM 0 HA GLU A2674 -7.389 8.106 -4.304 1.00 0.00 H new ATOM 0 HB2 GLU A2674 -5.193 8.656 -6.220 1.00 0.00 H new ATOM 0 HB3 GLU A2674 -6.755 9.297 -6.688 1.00 0.00 H new ATOM 0 HG2 GLU A2674 -6.939 10.583 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A2674 -5.565 9.768 -3.940 1.00 0.00 H new ATOM 730 N GLU A2675 -7.356 6.178 -6.947 1.00 0.00 N ATOM 731 CA GLU A2675 -8.183 5.479 -7.922 1.00 0.00 C ATOM 732 C GLU A2675 -9.023 4.390 -7.255 1.00 0.00 C ATOM 733 O GLU A2675 -10.091 4.030 -7.750 1.00 0.00 O ATOM 734 CB GLU A2675 -7.300 4.863 -9.010 1.00 0.00 C ATOM 735 CG GLU A2675 -7.336 5.623 -10.325 1.00 0.00 C ATOM 736 CD GLU A2675 -8.306 5.018 -11.322 1.00 0.00 C ATOM 737 OE1 GLU A2675 -7.840 4.369 -12.282 1.00 0.00 O ATOM 738 OE2 GLU A2675 -9.529 5.192 -11.142 1.00 0.00 O ATOM 0 H GLU A2675 -6.383 5.871 -6.927 1.00 0.00 H new ATOM 0 HA GLU A2675 -8.862 6.204 -8.372 1.00 0.00 H new ATOM 0 HB2 GLU A2675 -6.271 4.822 -8.652 1.00 0.00 H new ATOM 0 HB3 GLU A2675 -7.618 3.835 -9.185 1.00 0.00 H new ATOM 0 HG2 GLU A2675 -7.616 6.659 -10.134 1.00 0.00 H new ATOM 0 HG3 GLU A2675 -6.336 5.638 -10.759 1.00 0.00 H new ATOM 745 N ASN A2676 -8.539 3.869 -6.129 1.00 0.00 N ATOM 746 CA ASN A2676 -9.253 2.824 -5.401 1.00 0.00 C ATOM 747 C ASN A2676 -9.652 3.309 -4.009 1.00 0.00 C ATOM 748 O ASN A2676 -9.022 2.953 -3.012 1.00 0.00 O ATOM 749 CB ASN A2676 -8.387 1.568 -5.293 1.00 0.00 C ATOM 750 CG ASN A2676 -8.031 0.994 -6.650 1.00 0.00 C ATOM 751 OD1 ASN A2676 -8.760 0.167 -7.199 1.00 0.00 O ATOM 752 ND2 ASN A2676 -6.903 1.430 -7.199 1.00 0.00 N ATOM 0 H ASN A2676 -7.657 4.153 -5.702 1.00 0.00 H new ATOM 0 HA ASN A2676 -10.161 2.582 -5.954 1.00 0.00 H new ATOM 0 HB2 ASN A2676 -7.472 1.806 -4.751 1.00 0.00 H new ATOM 0 HB3 ASN A2676 -8.916 0.814 -4.710 1.00 0.00 H new ATOM 0 HD21 ASN A2676 -6.611 1.079 -8.111 1.00 0.00 H new ATOM 0 HD22 ASN A2676 -6.329 2.116 -6.709 1.00 0.00 H new ATOM 759 N PRO A2677 -10.708 4.135 -3.924 1.00 0.00 N ATOM 760 CA PRO A2677 -11.191 4.678 -2.648 1.00 0.00 C ATOM 761 C PRO A2677 -11.728 3.601 -1.711 1.00 0.00 C ATOM 762 O PRO A2677 -11.781 3.796 -0.496 1.00 0.00 O ATOM 763 CB PRO A2677 -12.318 5.630 -3.064 1.00 0.00 C ATOM 764 CG PRO A2677 -12.750 5.148 -4.406 1.00 0.00 C ATOM 765 CD PRO A2677 -11.513 4.610 -5.064 1.00 0.00 C ATOM 0 HA PRO A2677 -10.388 5.160 -2.091 1.00 0.00 H new ATOM 0 HB2 PRO A2677 -13.142 5.603 -2.350 1.00 0.00 H new ATOM 0 HB3 PRO A2677 -11.968 6.661 -3.108 1.00 0.00 H new ATOM 0 HG2 PRO A2677 -13.513 4.375 -4.317 1.00 0.00 H new ATOM 0 HG3 PRO A2677 -13.184 5.958 -4.992 1.00 0.00 H new ATOM 0 HD2 PRO A2677 -11.744 3.802 -5.758 1.00 0.00 H new ATOM 0 HD3 PRO A2677 -10.992 5.380 -5.633 1.00 0.00 H new ATOM 773 N GLU A2678 -12.129 2.466 -2.275 1.00 0.00 N ATOM 774 CA GLU A2678 -12.664 1.369 -1.477 1.00 0.00 C ATOM 775 C GLU A2678 -11.552 0.457 -0.972 1.00 0.00 C ATOM 776 O GLU A2678 -11.813 -0.513 -0.261 1.00 0.00 O ATOM 777 CB GLU A2678 -13.657 0.548 -2.300 1.00 0.00 C ATOM 778 CG GLU A2678 -14.625 1.389 -3.114 1.00 0.00 C ATOM 779 CD GLU A2678 -16.001 1.471 -2.482 1.00 0.00 C ATOM 780 OE1 GLU A2678 -16.133 2.135 -1.433 1.00 0.00 O ATOM 781 OE2 GLU A2678 -16.946 0.871 -3.037 1.00 0.00 O ATOM 0 H GLU A2678 -12.094 2.282 -3.278 1.00 0.00 H new ATOM 0 HA GLU A2678 -13.173 1.805 -0.618 1.00 0.00 H new ATOM 0 HB2 GLU A2678 -13.103 -0.105 -2.974 1.00 0.00 H new ATOM 0 HB3 GLU A2678 -14.226 -0.096 -1.629 1.00 0.00 H new ATOM 0 HG2 GLU A2678 -14.221 2.395 -3.227 1.00 0.00 H new ATOM 0 HG3 GLU A2678 -14.714 0.967 -4.115 1.00 0.00 H new ATOM 788 N PHE A2679 -10.313 0.754 -1.352 1.00 0.00 N ATOM 789 CA PHE A2679 -9.183 -0.065 -0.939 1.00 0.00 C ATOM 790 C PHE A2679 -8.233 0.687 -0.021 1.00 0.00 C ATOM 791 O PHE A2679 -8.213 1.918 0.014 1.00 0.00 O ATOM 792 CB PHE A2679 -8.420 -0.568 -2.162 1.00 0.00 C ATOM 793 CG PHE A2679 -8.979 -1.842 -2.719 1.00 0.00 C ATOM 794 CD1 PHE A2679 -8.300 -3.038 -2.557 1.00 0.00 C ATOM 795 CD2 PHE A2679 -10.188 -1.845 -3.393 1.00 0.00 C ATOM 796 CE1 PHE A2679 -8.816 -4.216 -3.058 1.00 0.00 C ATOM 797 CE2 PHE A2679 -10.710 -3.020 -3.899 1.00 0.00 C ATOM 798 CZ PHE A2679 -10.021 -4.209 -3.731 1.00 0.00 C ATOM 0 H PHE A2679 -10.069 1.550 -1.941 1.00 0.00 H new ATOM 0 HA PHE A2679 -9.587 -0.910 -0.381 1.00 0.00 H new ATOM 0 HB2 PHE A2679 -8.439 0.199 -2.936 1.00 0.00 H new ATOM 0 HB3 PHE A2679 -7.375 -0.723 -1.893 1.00 0.00 H new ATOM 0 HD1 PHE A2679 -7.356 -3.049 -2.033 1.00 0.00 H new ATOM 0 HD2 PHE A2679 -10.729 -0.919 -3.525 1.00 0.00 H new ATOM 0 HE1 PHE A2679 -8.277 -5.142 -2.924 1.00 0.00 H new ATOM 0 HE2 PHE A2679 -11.654 -3.011 -4.424 1.00 0.00 H new ATOM 0 HZ PHE A2679 -10.426 -5.129 -4.126 1.00 0.00 H new ATOM 808 N ALA A2680 -7.433 -0.080 0.706 1.00 0.00 N ATOM 809 CA ALA A2680 -6.447 0.473 1.619 1.00 0.00 C ATOM 810 C ALA A2680 -5.187 -0.377 1.586 1.00 0.00 C ATOM 811 O ALA A2680 -5.153 -1.408 0.916 1.00 0.00 O ATOM 812 CB ALA A2680 -7.009 0.561 3.029 1.00 0.00 C ATOM 0 H ALA A2680 -7.450 -1.099 0.679 1.00 0.00 H new ATOM 0 HA ALA A2680 -6.195 1.485 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A2680 -6.254 0.978 3.696 1.00 0.00 H new ATOM 0 HB2 ALA A2680 -7.889 1.204 3.030 1.00 0.00 H new ATOM 0 HB3 ALA A2680 -7.287 -0.435 3.373 1.00 0.00 H new ATOM 818 N VAL A2681 -4.147 0.042 2.297 1.00 0.00 N ATOM 819 CA VAL A2681 -2.899 -0.710 2.316 1.00 0.00 C ATOM 820 C VAL A2681 -2.796 -1.576 3.568 1.00 0.00 C ATOM 821 O VAL A2681 -3.240 -1.177 4.640 1.00 0.00 O ATOM 822 CB VAL A2681 -1.689 0.241 2.263 1.00 0.00 C ATOM 823 CG1 VAL A2681 -0.389 -0.542 2.277 1.00 0.00 C ATOM 824 CG2 VAL A2681 -1.768 1.137 1.037 1.00 0.00 C ATOM 0 H VAL A2681 -4.142 0.891 2.863 1.00 0.00 H new ATOM 0 HA VAL A2681 -2.895 -1.354 1.437 1.00 0.00 H new ATOM 0 HB VAL A2681 -1.711 0.874 3.150 1.00 0.00 H new ATOM 0 HG11 VAL A2681 0.453 0.150 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A2681 -0.331 -1.134 3.190 1.00 0.00 H new ATOM 0 HG13 VAL A2681 -0.354 -1.204 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A2681 -0.905 1.802 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A2681 -1.774 0.522 0.137 1.00 0.00 H new ATOM 0 HG23 VAL A2681 -2.682 1.730 1.078 1.00 0.00 H new ATOM 834 N ALA A2682 -2.230 -2.773 3.417 1.00 0.00 N ATOM 835 CA ALA A2682 -2.101 -3.707 4.539 1.00 0.00 C ATOM 836 C ALA A2682 -1.473 -3.039 5.767 1.00 0.00 C ATOM 837 O ALA A2682 -0.720 -2.074 5.646 1.00 0.00 O ATOM 838 CB ALA A2682 -1.279 -4.917 4.121 1.00 0.00 C ATOM 0 H ALA A2682 -1.855 -3.119 2.534 1.00 0.00 H new ATOM 0 HA ALA A2682 -3.104 -4.030 4.817 1.00 0.00 H new ATOM 0 HB1 ALA A2682 -1.190 -5.604 4.962 1.00 0.00 H new ATOM 0 HB2 ALA A2682 -1.772 -5.422 3.290 1.00 0.00 H new ATOM 0 HB3 ALA A2682 -0.286 -4.592 3.810 1.00 0.00 H new ATOM 844 N PRO A2683 -1.798 -3.548 6.974 1.00 0.00 N ATOM 845 CA PRO A2683 -1.297 -3.008 8.249 1.00 0.00 C ATOM 846 C PRO A2683 0.226 -2.876 8.295 1.00 0.00 C ATOM 847 O PRO A2683 0.751 -1.818 8.641 1.00 0.00 O ATOM 848 CB PRO A2683 -1.786 -4.024 9.297 1.00 0.00 C ATOM 849 CG PRO A2683 -2.231 -5.217 8.519 1.00 0.00 C ATOM 850 CD PRO A2683 -2.697 -4.689 7.195 1.00 0.00 C ATOM 0 HA PRO A2683 -1.661 -1.994 8.416 1.00 0.00 H new ATOM 0 HB2 PRO A2683 -0.989 -4.285 9.993 1.00 0.00 H new ATOM 0 HB3 PRO A2683 -2.604 -3.614 9.889 1.00 0.00 H new ATOM 0 HG2 PRO A2683 -1.414 -5.928 8.391 1.00 0.00 H new ATOM 0 HG3 PRO A2683 -3.034 -5.743 9.035 1.00 0.00 H new ATOM 0 HD2 PRO A2683 -2.607 -5.435 6.406 1.00 0.00 H new ATOM 0 HD3 PRO A2683 -3.742 -4.382 7.226 1.00 0.00 H new ATOM 858 N ASP A2684 0.934 -3.937 7.937 1.00 0.00 N ATOM 859 CA ASP A2684 2.393 -3.902 7.934 1.00 0.00 C ATOM 860 C ASP A2684 2.889 -2.996 6.813 1.00 0.00 C ATOM 861 O ASP A2684 4.018 -2.480 6.842 1.00 0.00 O ATOM 862 CB ASP A2684 2.955 -5.314 7.758 1.00 0.00 C ATOM 863 CG ASP A2684 3.584 -5.850 9.029 1.00 0.00 C ATOM 864 OD1 ASP A2684 4.815 -5.713 9.184 1.00 0.00 O ATOM 865 OD2 ASP A2684 2.845 -6.408 9.867 1.00 0.00 O ATOM 0 H ASP A2684 0.528 -4.827 7.647 1.00 0.00 H new ATOM 0 HA ASP A2684 2.738 -3.505 8.889 1.00 0.00 H new ATOM 0 HB2 ASP A2684 2.155 -5.983 7.442 1.00 0.00 H new ATOM 0 HB3 ASP A2684 3.700 -5.309 6.962 1.00 0.00 H new ATOM 870 N TRP A2685 2.009 -2.750 5.855 1.00 0.00 N ATOM 871 CA TRP A2685 2.322 -1.869 4.757 1.00 0.00 C ATOM 872 C TRP A2685 1.854 -0.463 5.084 1.00 0.00 C ATOM 873 O TRP A2685 2.247 0.496 4.442 1.00 0.00 O ATOM 874 CB TRP A2685 1.717 -2.391 3.460 1.00 0.00 C ATOM 875 CG TRP A2685 2.459 -3.580 2.944 1.00 0.00 C ATOM 876 CD1 TRP A2685 2.154 -4.892 3.157 1.00 0.00 C ATOM 877 CD2 TRP A2685 3.646 -3.566 2.144 1.00 0.00 C ATOM 878 NE1 TRP A2685 3.079 -5.693 2.539 1.00 0.00 N ATOM 879 CE2 TRP A2685 4.002 -4.906 1.908 1.00 0.00 C ATOM 880 CE3 TRP A2685 4.440 -2.552 1.601 1.00 0.00 C ATOM 881 CZ2 TRP A2685 5.117 -5.260 1.155 1.00 0.00 C ATOM 882 CZ3 TRP A2685 5.547 -2.903 0.853 1.00 0.00 C ATOM 883 CH2 TRP A2685 5.876 -4.247 0.634 1.00 0.00 C ATOM 0 H TRP A2685 1.072 -3.152 5.822 1.00 0.00 H new ATOM 0 HA TRP A2685 3.402 -1.837 4.610 1.00 0.00 H new ATOM 0 HB2 TRP A2685 0.673 -2.657 3.627 1.00 0.00 H new ATOM 0 HB3 TRP A2685 1.728 -1.601 2.709 1.00 0.00 H new ATOM 0 HD1 TRP A2685 1.309 -5.247 3.728 1.00 0.00 H new ATOM 0 HE1 TRP A2685 3.079 -6.713 2.548 1.00 0.00 H new ATOM 0 HE3 TRP A2685 4.193 -1.513 1.763 1.00 0.00 H new ATOM 0 HZ2 TRP A2685 5.374 -6.296 0.988 1.00 0.00 H new ATOM 0 HZ3 TRP A2685 6.169 -2.128 0.430 1.00 0.00 H new ATOM 0 HH2 TRP A2685 6.746 -4.489 0.042 1.00 0.00 H new ATOM 894 N THR A2686 1.055 -0.341 6.136 1.00 0.00 N ATOM 895 CA THR A2686 0.606 0.958 6.584 1.00 0.00 C ATOM 896 C THR A2686 1.825 1.684 7.133 1.00 0.00 C ATOM 897 O THR A2686 2.060 2.860 6.846 1.00 0.00 O ATOM 898 CB THR A2686 -0.482 0.808 7.654 1.00 0.00 C ATOM 899 OG1 THR A2686 -1.729 0.497 7.060 1.00 0.00 O ATOM 900 CG2 THR A2686 -0.678 2.041 8.507 1.00 0.00 C ATOM 0 H THR A2686 0.709 -1.126 6.689 1.00 0.00 H new ATOM 0 HA THR A2686 0.166 1.526 5.765 1.00 0.00 H new ATOM 0 HB THR A2686 -0.132 0.001 8.298 1.00 0.00 H new ATOM 0 HG1 THR A2686 -1.648 -0.333 6.546 1.00 0.00 H new ATOM 0 HG21 THR A2686 -1.464 1.856 9.239 1.00 0.00 H new ATOM 0 HG22 THR A2686 0.252 2.277 9.024 1.00 0.00 H new ATOM 0 HG23 THR A2686 -0.964 2.880 7.873 1.00 0.00 H new ATOM 908 N ASP A2687 2.625 0.939 7.896 1.00 0.00 N ATOM 909 CA ASP A2687 3.850 1.469 8.462 1.00 0.00 C ATOM 910 C ASP A2687 4.909 1.579 7.373 1.00 0.00 C ATOM 911 O ASP A2687 5.510 2.641 7.190 1.00 0.00 O ATOM 912 CB ASP A2687 4.349 0.574 9.598 1.00 0.00 C ATOM 913 CG ASP A2687 3.843 1.025 10.953 1.00 0.00 C ATOM 914 OD1 ASP A2687 2.692 0.684 11.301 1.00 0.00 O ATOM 915 OD2 ASP A2687 4.596 1.720 11.667 1.00 0.00 O ATOM 0 H ASP A2687 2.439 -0.036 8.133 1.00 0.00 H new ATOM 0 HA ASP A2687 3.651 2.459 8.871 1.00 0.00 H new ATOM 0 HB2 ASP A2687 4.028 -0.452 9.416 1.00 0.00 H new ATOM 0 HB3 ASP A2687 5.439 0.571 9.603 1.00 0.00 H new ATOM 920 N ILE A2688 5.133 0.489 6.626 1.00 0.00 N ATOM 921 CA ILE A2688 6.116 0.516 5.547 1.00 0.00 C ATOM 922 C ILE A2688 5.793 1.639 4.562 1.00 0.00 C ATOM 923 O ILE A2688 6.617 2.522 4.316 1.00 0.00 O ATOM 924 CB ILE A2688 6.162 -0.834 4.794 1.00 0.00 C ATOM 925 CG1 ILE A2688 6.691 -1.939 5.712 1.00 0.00 C ATOM 926 CG2 ILE A2688 7.018 -0.728 3.540 1.00 0.00 C ATOM 927 CD1 ILE A2688 6.558 -3.329 5.127 1.00 0.00 C ATOM 0 H ILE A2688 4.655 -0.403 6.749 1.00 0.00 H new ATOM 0 HA ILE A2688 7.093 0.695 5.995 1.00 0.00 H new ATOM 0 HB ILE A2688 5.147 -1.089 4.490 1.00 0.00 H new ATOM 0 HG12 ILE A2688 7.741 -1.745 5.932 1.00 0.00 H new ATOM 0 HG13 ILE A2688 6.154 -1.900 6.660 1.00 0.00 H new ATOM 0 HG21 ILE A2688 7.034 -1.690 3.028 1.00 0.00 H new ATOM 0 HG22 ILE A2688 6.599 0.029 2.877 1.00 0.00 H new ATOM 0 HG23 ILE A2688 8.034 -0.446 3.816 1.00 0.00 H new ATOM 0 HD11 ILE A2688 6.953 -4.060 5.832 1.00 0.00 H new ATOM 0 HD12 ILE A2688 5.507 -3.543 4.933 1.00 0.00 H new ATOM 0 HD13 ILE A2688 7.118 -3.386 4.194 1.00 0.00 H new ATOM 939 N VAL A2689 4.583 1.603 4.009 1.00 0.00 N ATOM 940 CA VAL A2689 4.148 2.622 3.063 1.00 0.00 C ATOM 941 C VAL A2689 4.281 4.008 3.679 1.00 0.00 C ATOM 942 O VAL A2689 4.684 4.959 3.008 1.00 0.00 O ATOM 943 CB VAL A2689 2.700 2.393 2.582 1.00 0.00 C ATOM 944 CG1 VAL A2689 2.223 3.555 1.726 1.00 0.00 C ATOM 945 CG2 VAL A2689 2.601 1.087 1.803 1.00 0.00 C ATOM 0 H VAL A2689 3.889 0.880 4.200 1.00 0.00 H new ATOM 0 HA VAL A2689 4.797 2.549 2.191 1.00 0.00 H new ATOM 0 HB VAL A2689 2.056 2.329 3.459 1.00 0.00 H new ATOM 0 HG11 VAL A2689 1.200 3.370 1.399 1.00 0.00 H new ATOM 0 HG12 VAL A2689 2.257 4.475 2.310 1.00 0.00 H new ATOM 0 HG13 VAL A2689 2.870 3.654 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A2689 1.574 0.939 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A2689 3.261 1.129 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A2689 2.898 0.257 2.445 1.00 0.00 H new ATOM 955 N LYS A2690 3.961 4.130 4.963 1.00 0.00 N ATOM 956 CA LYS A2690 4.086 5.413 5.636 1.00 0.00 C ATOM 957 C LYS A2690 5.494 5.965 5.424 1.00 0.00 C ATOM 958 O LYS A2690 5.668 7.112 5.013 1.00 0.00 O ATOM 959 CB LYS A2690 3.792 5.271 7.130 1.00 0.00 C ATOM 960 CG LYS A2690 2.425 5.802 7.535 1.00 0.00 C ATOM 961 CD LYS A2690 2.461 6.430 8.919 1.00 0.00 C ATOM 962 CE LYS A2690 1.176 6.162 9.687 1.00 0.00 C ATOM 963 NZ LYS A2690 1.435 5.911 11.131 1.00 0.00 N ATOM 0 H LYS A2690 3.619 3.368 5.549 1.00 0.00 H new ATOM 0 HA LYS A2690 3.359 6.106 5.212 1.00 0.00 H new ATOM 0 HB2 LYS A2690 3.860 4.219 7.407 1.00 0.00 H new ATOM 0 HB3 LYS A2690 4.560 5.800 7.695 1.00 0.00 H new ATOM 0 HG2 LYS A2690 2.090 6.541 6.807 1.00 0.00 H new ATOM 0 HG3 LYS A2690 1.699 4.989 7.521 1.00 0.00 H new ATOM 0 HD2 LYS A2690 3.309 6.034 9.477 1.00 0.00 H new ATOM 0 HD3 LYS A2690 2.614 7.505 8.828 1.00 0.00 H new ATOM 0 HE2 LYS A2690 0.505 7.015 9.581 1.00 0.00 H new ATOM 0 HE3 LYS A2690 0.667 5.301 9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A2690 0.534 5.733 11.619 1.00 0.00 H new ATOM 0 HZ2 LYS A2690 2.055 5.082 11.234 1.00 0.00 H new ATOM 0 HZ3 LYS A2690 1.897 6.743 11.550 1.00 0.00 H new ATOM 977 N GLN A2691 6.496 5.120 5.671 1.00 0.00 N ATOM 978 CA GLN A2691 7.898 5.488 5.476 1.00 0.00 C ATOM 979 C GLN A2691 8.274 5.514 3.989 1.00 0.00 C ATOM 980 O GLN A2691 9.313 6.054 3.612 1.00 0.00 O ATOM 981 CB GLN A2691 8.801 4.499 6.215 1.00 0.00 C ATOM 982 CG GLN A2691 8.808 4.689 7.722 1.00 0.00 C ATOM 983 CD GLN A2691 7.947 3.669 8.443 1.00 0.00 C ATOM 984 OE1 GLN A2691 6.956 4.017 9.083 1.00 0.00 O ATOM 985 NE2 GLN A2691 8.324 2.399 8.340 1.00 0.00 N ATOM 0 H GLN A2691 6.360 4.168 6.010 1.00 0.00 H new ATOM 0 HA GLN A2691 8.038 6.491 5.878 1.00 0.00 H new ATOM 0 HB2 GLN A2691 8.477 3.484 5.987 1.00 0.00 H new ATOM 0 HB3 GLN A2691 9.819 4.600 5.840 1.00 0.00 H new ATOM 0 HG2 GLN A2691 9.832 4.618 8.089 1.00 0.00 H new ATOM 0 HG3 GLN A2691 8.453 5.692 7.960 1.00 0.00 H new ATOM 0 HE21 GLN A2691 9.153 2.156 7.798 1.00 0.00 H new ATOM 0 HE22 GLN A2691 7.784 1.668 8.802 1.00 0.00 H new ATOM 994 N SER A2692 7.427 4.906 3.157 1.00 0.00 N ATOM 995 CA SER A2692 7.662 4.825 1.712 1.00 0.00 C ATOM 996 C SER A2692 8.168 6.132 1.123 1.00 0.00 C ATOM 997 O SER A2692 8.928 6.132 0.155 1.00 0.00 O ATOM 998 CB SER A2692 6.369 4.434 0.990 1.00 0.00 C ATOM 999 OG SER A2692 5.634 5.587 0.572 1.00 0.00 O ATOM 0 H SER A2692 6.563 4.458 3.462 1.00 0.00 H new ATOM 0 HA SER A2692 8.433 4.068 1.567 1.00 0.00 H new ATOM 0 HB2 SER A2692 6.607 3.819 0.122 1.00 0.00 H new ATOM 0 HB3 SER A2692 5.751 3.827 1.651 1.00 0.00 H new ATOM 0 HG SER A2692 4.981 5.827 1.262 1.00 0.00 H new ATOM 1005 N GLY A2693 7.737 7.242 1.693 1.00 0.00 N ATOM 1006 CA GLY A2693 8.150 8.530 1.177 1.00 0.00 C ATOM 1007 C GLY A2693 7.411 8.902 -0.101 1.00 0.00 C ATOM 1008 O GLY A2693 7.377 10.072 -0.480 1.00 0.00 O ATOM 0 H GLY A2693 7.113 7.278 2.499 1.00 0.00 H new ATOM 0 HA2 GLY A2693 7.974 9.296 1.933 1.00 0.00 H new ATOM 0 HA3 GLY A2693 9.223 8.515 0.983 1.00 0.00 H new ATOM 1012 N PHE A2694 6.806 7.909 -0.766 1.00 0.00 N ATOM 1013 CA PHE A2694 6.061 8.160 -1.995 1.00 0.00 C ATOM 1014 C PHE A2694 4.637 8.564 -1.679 1.00 0.00 C ATOM 1015 O PHE A2694 4.020 9.317 -2.433 1.00 0.00 O ATOM 1016 CB PHE A2694 6.029 6.929 -2.907 1.00 0.00 C ATOM 1017 CG PHE A2694 7.330 6.200 -2.992 1.00 0.00 C ATOM 1018 CD1 PHE A2694 7.666 5.282 -2.023 1.00 0.00 C ATOM 1019 CD2 PHE A2694 8.216 6.436 -4.032 1.00 0.00 C ATOM 1020 CE1 PHE A2694 8.864 4.606 -2.076 1.00 0.00 C ATOM 1021 CE2 PHE A2694 9.419 5.761 -4.096 1.00 0.00 C ATOM 1022 CZ PHE A2694 9.745 4.845 -3.114 1.00 0.00 C ATOM 0 H PHE A2694 6.820 6.932 -0.472 1.00 0.00 H new ATOM 0 HA PHE A2694 6.575 8.968 -2.515 1.00 0.00 H new ATOM 0 HB2 PHE A2694 5.263 6.243 -2.546 1.00 0.00 H new ATOM 0 HB3 PHE A2694 5.733 7.240 -3.909 1.00 0.00 H new ATOM 0 HD1 PHE A2694 6.981 5.090 -1.211 1.00 0.00 H new ATOM 0 HD2 PHE A2694 7.963 7.154 -4.798 1.00 0.00 H new ATOM 0 HE1 PHE A2694 9.115 3.890 -1.308 1.00 0.00 H new ATOM 0 HE2 PHE A2694 10.103 5.948 -4.911 1.00 0.00 H new ATOM 0 HZ PHE A2694 10.686 4.317 -3.157 1.00 0.00 H new ATOM 1032 N VAL A2695 4.105 8.073 -0.564 1.00 0.00 N ATOM 1033 CA VAL A2695 2.742 8.412 -0.179 1.00 0.00 C ATOM 1034 C VAL A2695 2.723 9.589 0.794 1.00 0.00 C ATOM 1035 O VAL A2695 3.476 9.606 1.768 1.00 0.00 O ATOM 1036 CB VAL A2695 2.028 7.214 0.477 1.00 0.00 C ATOM 1037 CG1 VAL A2695 0.530 7.464 0.557 1.00 0.00 C ATOM 1038 CG2 VAL A2695 2.321 5.930 -0.284 1.00 0.00 C ATOM 0 H VAL A2695 4.590 7.448 0.080 1.00 0.00 H new ATOM 0 HA VAL A2695 2.215 8.686 -1.093 1.00 0.00 H new ATOM 0 HB VAL A2695 2.410 7.101 1.491 1.00 0.00 H new ATOM 0 HG11 VAL A2695 0.043 6.608 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A2695 0.341 8.357 1.153 1.00 0.00 H new ATOM 0 HG13 VAL A2695 0.131 7.607 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A2695 1.807 5.097 0.196 1.00 0.00 H new ATOM 0 HG22 VAL A2695 1.971 6.028 -1.312 1.00 0.00 H new ATOM 0 HG23 VAL A2695 3.395 5.743 -0.283 1.00 0.00 H new ATOM 1048 N PRO A2696 1.858 10.589 0.551 1.00 0.00 N ATOM 1049 CA PRO A2696 1.755 11.760 1.423 1.00 0.00 C ATOM 1050 C PRO A2696 1.166 11.409 2.783 1.00 0.00 C ATOM 1051 O PRO A2696 0.279 10.563 2.888 1.00 0.00 O ATOM 1052 CB PRO A2696 0.826 12.705 0.657 1.00 0.00 C ATOM 1053 CG PRO A2696 0.026 11.820 -0.236 1.00 0.00 C ATOM 1054 CD PRO A2696 0.915 10.656 -0.582 1.00 0.00 C ATOM 0 HA PRO A2696 2.730 12.196 1.638 1.00 0.00 H new ATOM 0 HB2 PRO A2696 0.183 13.264 1.337 1.00 0.00 H new ATOM 0 HB3 PRO A2696 1.394 13.436 0.082 1.00 0.00 H new ATOM 0 HG2 PRO A2696 -0.882 11.481 0.264 1.00 0.00 H new ATOM 0 HG3 PRO A2696 -0.285 12.353 -1.135 1.00 0.00 H new ATOM 0 HD2 PRO A2696 0.345 9.733 -0.684 1.00 0.00 H new ATOM 0 HD3 PRO A2696 1.435 10.816 -1.527 1.00 0.00 H new ATOM 1062 N GLU A2697 1.683 12.049 3.826 1.00 0.00 N ATOM 1063 CA GLU A2697 1.225 11.789 5.188 1.00 0.00 C ATOM 1064 C GLU A2697 -0.294 11.886 5.291 1.00 0.00 C ATOM 1065 O GLU A2697 -0.918 11.161 6.065 1.00 0.00 O ATOM 1066 CB GLU A2697 1.881 12.768 6.165 1.00 0.00 C ATOM 1067 CG GLU A2697 1.343 14.187 6.064 1.00 0.00 C ATOM 1068 CD GLU A2697 2.167 15.183 6.858 1.00 0.00 C ATOM 1069 OE1 GLU A2697 3.239 14.796 7.368 1.00 0.00 O ATOM 1070 OE2 GLU A2697 1.741 16.352 6.967 1.00 0.00 O ATOM 0 H GLU A2697 2.419 12.751 3.756 1.00 0.00 H new ATOM 0 HA GLU A2697 1.518 10.772 5.450 1.00 0.00 H new ATOM 0 HB2 GLU A2697 1.734 12.405 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A2697 2.956 12.783 5.984 1.00 0.00 H new ATOM 0 HG2 GLU A2697 1.324 14.490 5.017 1.00 0.00 H new ATOM 0 HG3 GLU A2697 0.313 14.207 6.421 1.00 0.00 H new ATOM 1077 N SER A2698 -0.887 12.779 4.507 1.00 0.00 N ATOM 1078 CA SER A2698 -2.333 12.956 4.517 1.00 0.00 C ATOM 1079 C SER A2698 -3.037 11.702 4.012 1.00 0.00 C ATOM 1080 O SER A2698 -4.146 11.384 4.443 1.00 0.00 O ATOM 1081 CB SER A2698 -2.727 14.158 3.656 1.00 0.00 C ATOM 1082 OG SER A2698 -2.114 14.095 2.380 1.00 0.00 O ATOM 0 H SER A2698 -0.390 13.390 3.859 1.00 0.00 H new ATOM 0 HA SER A2698 -2.645 13.137 5.546 1.00 0.00 H new ATOM 0 HB2 SER A2698 -3.811 14.187 3.541 1.00 0.00 H new ATOM 0 HB3 SER A2698 -2.435 15.080 4.158 1.00 0.00 H new ATOM 0 HG SER A2698 -2.383 14.873 1.849 1.00 0.00 H new ATOM 1088 N MET A2699 -2.387 10.989 3.097 1.00 0.00 N ATOM 1089 CA MET A2699 -2.952 9.768 2.534 1.00 0.00 C ATOM 1090 C MET A2699 -2.772 8.584 3.480 1.00 0.00 C ATOM 1091 O MET A2699 -3.260 7.487 3.211 1.00 0.00 O ATOM 1092 CB MET A2699 -2.308 9.451 1.186 1.00 0.00 C ATOM 1093 CG MET A2699 -3.054 10.050 0.007 1.00 0.00 C ATOM 1094 SD MET A2699 -2.462 9.427 -1.578 1.00 0.00 S ATOM 1095 CE MET A2699 -3.551 8.025 -1.816 1.00 0.00 C ATOM 0 H MET A2699 -1.468 11.236 2.730 1.00 0.00 H new ATOM 0 HA MET A2699 -4.020 9.936 2.392 1.00 0.00 H new ATOM 0 HB2 MET A2699 -1.283 9.822 1.185 1.00 0.00 H new ATOM 0 HB3 MET A2699 -2.255 8.369 1.062 1.00 0.00 H new ATOM 0 HG2 MET A2699 -4.117 9.830 0.105 1.00 0.00 H new ATOM 0 HG3 MET A2699 -2.949 11.135 0.029 1.00 0.00 H new ATOM 0 HE1 MET A2699 -3.892 8.001 -2.851 1.00 0.00 H new ATOM 0 HE2 MET A2699 -3.014 7.104 -1.589 1.00 0.00 H new ATOM 0 HE3 MET A2699 -4.411 8.116 -1.153 1.00 0.00 H new ATOM 1105 N PHE A2700 -2.075 8.804 4.591 1.00 0.00 N ATOM 1106 CA PHE A2700 -1.849 7.743 5.563 1.00 0.00 C ATOM 1107 C PHE A2700 -3.173 7.183 6.082 1.00 0.00 C ATOM 1108 O PHE A2700 -3.213 6.090 6.649 1.00 0.00 O ATOM 1109 CB PHE A2700 -0.995 8.261 6.724 1.00 0.00 C ATOM 1110 CG PHE A2700 0.460 8.459 6.374 1.00 0.00 C ATOM 1111 CD1 PHE A2700 1.333 9.020 7.295 1.00 0.00 C ATOM 1112 CD2 PHE A2700 0.958 8.083 5.132 1.00 0.00 C ATOM 1113 CE1 PHE A2700 2.668 9.200 6.985 1.00 0.00 C ATOM 1114 CE2 PHE A2700 2.291 8.262 4.820 1.00 0.00 C ATOM 1115 CZ PHE A2700 3.147 8.821 5.746 1.00 0.00 C ATOM 0 H PHE A2700 -1.660 9.702 4.838 1.00 0.00 H new ATOM 0 HA PHE A2700 -1.313 6.934 5.066 1.00 0.00 H new ATOM 0 HB2 PHE A2700 -1.407 9.209 7.070 1.00 0.00 H new ATOM 0 HB3 PHE A2700 -1.066 7.560 7.555 1.00 0.00 H new ATOM 0 HD1 PHE A2700 0.965 9.319 8.265 1.00 0.00 H new ATOM 0 HD2 PHE A2700 0.294 7.645 4.402 1.00 0.00 H new ATOM 0 HE1 PHE A2700 3.337 9.637 7.712 1.00 0.00 H new ATOM 0 HE2 PHE A2700 2.663 7.964 3.851 1.00 0.00 H new ATOM 0 HZ PHE A2700 4.190 8.962 5.503 1.00 0.00 H new