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= -3.75 K(o=-7.6,f=-19!) USER MOD Set 1.2: A2654 ASN : amide:sc= -3.9 K(o=-7.6,f=-19!) USER MOD Single : A2639 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2640 THR OG1 : rot 2:sc= 1.06 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+ -157:sc= -0.612 (180deg=-0.823) USER MOD Single : A2658 MET CE :methyl -142:sc= -0.842 (180deg=-2.04!) USER MOD Single : A2666 MET CE :methyl 179:sc= -7.17! (180deg=-7.31!) USER MOD Single : A2667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2676 ASN : amide:sc= -0.717 X(o=-0.72,f=-0.63) USER MOD Single : A2686 THR OG1 : rot 64:sc= 0.0222 USER MOD Single : A2690 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2691 GLN : amide:sc= -0.0421 X(o=-0.042,f=0) USER MOD Single : A2692 SER OG : rot -86:sc= -0.104 USER MOD Single : A2698 SER OG : rot 180:sc= 0 USER MOD Single : A2699 MET CE :methyl -110:sc= -1.92 (180deg=-4.92!) USER MOD ----------------------------------------------------------------- ATOM 140 N ILE A2638 11.552 -4.921 2.919 1.00 0.00 N ATOM 141 CA ILE A2638 11.182 -3.523 2.812 1.00 0.00 C ATOM 142 C ILE A2638 12.266 -2.672 2.154 1.00 0.00 C ATOM 143 O ILE A2638 12.028 -1.515 1.820 1.00 0.00 O ATOM 144 CB ILE A2638 10.835 -2.939 4.191 1.00 0.00 C ATOM 145 CG1 ILE A2638 11.969 -3.189 5.185 1.00 0.00 C ATOM 146 CG2 ILE A2638 9.533 -3.537 4.703 1.00 0.00 C ATOM 147 CD1 ILE A2638 11.844 -2.371 6.451 1.00 0.00 C ATOM 0 HA ILE A2638 10.302 -3.491 2.169 1.00 0.00 H new ATOM 0 HB ILE A2638 10.706 -1.862 4.088 1.00 0.00 H new ATOM 0 HG12 ILE A2638 11.989 -4.247 5.445 1.00 0.00 H new ATOM 0 HG13 ILE A2638 12.921 -2.961 4.705 1.00 0.00 H new ATOM 0 HG21 ILE A2638 9.298 -3.115 5.680 1.00 0.00 H new ATOM 0 HG22 ILE A2638 8.728 -3.307 4.006 1.00 0.00 H new ATOM 0 HG23 ILE A2638 9.639 -4.618 4.790 1.00 0.00 H new ATOM 0 HD11 ILE A2638 12.680 -2.596 7.113 1.00 0.00 H new ATOM 0 HD12 ILE A2638 11.854 -1.310 6.201 1.00 0.00 H new ATOM 0 HD13 ILE A2638 10.908 -2.617 6.952 1.00 0.00 H new ATOM 159 N ASN A2639 13.461 -3.219 1.977 1.00 0.00 N ATOM 160 CA ASN A2639 14.538 -2.455 1.363 1.00 0.00 C ATOM 161 C ASN A2639 14.190 -2.066 -0.075 1.00 0.00 C ATOM 162 O ASN A2639 14.653 -1.044 -0.580 1.00 0.00 O ATOM 163 CB ASN A2639 15.840 -3.258 1.386 1.00 0.00 C ATOM 164 CG ASN A2639 16.696 -2.937 2.595 1.00 0.00 C ATOM 165 OD1 ASN A2639 17.516 -2.019 2.564 1.00 0.00 O ATOM 166 ND2 ASN A2639 16.510 -3.694 3.670 1.00 0.00 N ATOM 0 H ASN A2639 13.707 -4.172 2.245 1.00 0.00 H new ATOM 0 HA ASN A2639 14.671 -1.541 1.942 1.00 0.00 H new ATOM 0 HB2 ASN A2639 15.607 -4.323 1.382 1.00 0.00 H new ATOM 0 HB3 ASN A2639 16.407 -3.052 0.478 1.00 0.00 H new ATOM 0 HD21 ASN A2639 17.058 -3.525 4.514 1.00 0.00 H new ATOM 0 HD22 ASN A2639 15.819 -4.444 3.652 1.00 0.00 H new ATOM 173 N THR A2640 13.390 -2.899 -0.739 1.00 0.00 N ATOM 174 CA THR A2640 13.005 -2.653 -2.130 1.00 0.00 C ATOM 175 C THR A2640 11.901 -1.594 -2.261 1.00 0.00 C ATOM 176 O THR A2640 11.236 -1.496 -3.308 1.00 0.00 O ATOM 177 CB THR A2640 12.565 -3.961 -2.794 1.00 0.00 C ATOM 178 OG1 THR A2640 11.971 -3.711 -4.056 1.00 0.00 O ATOM 179 CG2 THR A2640 11.573 -4.747 -1.968 1.00 0.00 C ATOM 0 H THR A2640 12.996 -3.750 -0.338 1.00 0.00 H new ATOM 0 HA THR A2640 13.884 -2.260 -2.640 1.00 0.00 H new ATOM 0 HB THR A2640 13.476 -4.551 -2.897 1.00 0.00 H new ATOM 0 HG1 THR A2640 11.994 -2.749 -4.244 1.00 0.00 H new ATOM 0 HG21 THR A2640 11.303 -5.661 -2.496 1.00 0.00 H new ATOM 0 HG22 THR A2640 12.020 -5.001 -1.007 1.00 0.00 H new ATOM 0 HG23 THR A2640 10.679 -4.146 -1.804 1.00 0.00 H new ATOM 187 N LEU A2641 11.694 -0.793 -1.215 1.00 0.00 N ATOM 188 CA LEU A2641 10.678 0.242 -1.254 1.00 0.00 C ATOM 189 C LEU A2641 11.160 1.466 -2.026 1.00 0.00 C ATOM 190 O LEU A2641 10.689 2.572 -1.786 1.00 0.00 O ATOM 191 CB LEU A2641 10.303 0.673 0.160 1.00 0.00 C ATOM 192 CG LEU A2641 9.722 -0.418 1.055 1.00 0.00 C ATOM 193 CD1 LEU A2641 9.672 0.069 2.493 1.00 0.00 C ATOM 194 CD2 LEU A2641 8.342 -0.832 0.574 1.00 0.00 C ATOM 0 H LEU A2641 12.215 -0.845 -0.340 1.00 0.00 H new ATOM 0 HA LEU A2641 9.808 -0.178 -1.760 1.00 0.00 H new ATOM 0 HB2 LEU A2641 11.192 1.078 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A2641 9.579 1.485 0.092 1.00 0.00 H new ATOM 0 HG LEU A2641 10.367 -1.295 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A2641 9.256 -0.713 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A2641 10.680 0.313 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A2641 9.044 0.958 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A2641 7.948 -1.611 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A2641 7.676 0.030 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A2641 8.411 -1.213 -0.445 1.00 0.00 H new ATOM 206 N THR A2642 12.096 1.276 -2.952 1.00 0.00 N ATOM 207 CA THR A2642 12.613 2.386 -3.739 1.00 0.00 C ATOM 208 C THR A2642 11.634 2.762 -4.850 1.00 0.00 C ATOM 209 O THR A2642 12.029 3.295 -5.887 1.00 0.00 O ATOM 210 CB THR A2642 13.972 2.025 -4.339 1.00 0.00 C ATOM 211 OG1 THR A2642 14.771 1.339 -3.392 1.00 0.00 O ATOM 212 CG2 THR A2642 14.755 3.229 -4.815 1.00 0.00 C ATOM 0 H THR A2642 12.508 0.370 -3.173 1.00 0.00 H new ATOM 0 HA THR A2642 12.735 3.244 -3.079 1.00 0.00 H new ATOM 0 HB THR A2642 13.750 1.394 -5.200 1.00 0.00 H new ATOM 0 HG1 THR A2642 15.636 1.115 -3.795 1.00 0.00 H new ATOM 0 HG21 THR A2642 15.709 2.902 -5.229 1.00 0.00 H new ATOM 0 HG22 THR A2642 14.186 3.753 -5.583 1.00 0.00 H new ATOM 0 HG23 THR A2642 14.935 3.901 -3.976 1.00 0.00 H new ATOM 220 N GLY A2643 10.352 2.476 -4.626 1.00 0.00 N ATOM 221 CA GLY A2643 9.339 2.782 -5.612 1.00 0.00 C ATOM 222 C GLY A2643 8.877 1.546 -6.351 1.00 0.00 C ATOM 223 O GLY A2643 7.760 1.510 -6.873 1.00 0.00 O ATOM 0 H GLY A2643 10.001 2.037 -3.775 1.00 0.00 H new ATOM 0 HA2 GLY A2643 8.486 3.252 -5.122 1.00 0.00 H new ATOM 0 HA3 GLY A2643 9.734 3.505 -6.326 1.00 0.00 H new ATOM 227 N GLU A2644 9.755 0.542 -6.406 1.00 0.00 N ATOM 228 CA GLU A2644 9.476 -0.708 -7.104 1.00 0.00 C ATOM 229 C GLU A2644 8.642 -1.686 -6.274 1.00 0.00 C ATOM 230 O GLU A2644 7.896 -2.484 -6.840 1.00 0.00 O ATOM 231 CB GLU A2644 10.787 -1.376 -7.522 1.00 0.00 C ATOM 232 CG GLU A2644 11.175 -1.103 -8.966 1.00 0.00 C ATOM 233 CD GLU A2644 12.564 -1.609 -9.303 1.00 0.00 C ATOM 234 OE1 GLU A2644 12.694 -2.800 -9.654 1.00 0.00 O ATOM 235 OE2 GLU A2644 13.523 -0.812 -9.217 1.00 0.00 O ATOM 0 H GLU A2644 10.676 0.575 -5.968 1.00 0.00 H new ATOM 0 HA GLU A2644 8.885 -0.451 -7.983 1.00 0.00 H new ATOM 0 HB2 GLU A2644 11.587 -1.029 -6.868 1.00 0.00 H new ATOM 0 HB3 GLU A2644 10.700 -2.453 -7.375 1.00 0.00 H new ATOM 0 HG2 GLU A2644 10.450 -1.575 -9.629 1.00 0.00 H new ATOM 0 HG3 GLU A2644 11.128 -0.030 -9.154 1.00 0.00 H new ATOM 242 N GLU A2645 8.752 -1.642 -4.944 1.00 0.00 N ATOM 243 CA GLU A2645 7.974 -2.553 -4.100 1.00 0.00 C ATOM 244 C GLU A2645 6.493 -2.565 -4.484 1.00 0.00 C ATOM 245 O GLU A2645 5.920 -1.534 -4.834 1.00 0.00 O ATOM 246 CB GLU A2645 8.110 -2.162 -2.629 1.00 0.00 C ATOM 247 CG GLU A2645 9.066 -3.049 -1.858 1.00 0.00 C ATOM 248 CD GLU A2645 8.532 -4.455 -1.669 1.00 0.00 C ATOM 249 OE1 GLU A2645 7.665 -4.872 -2.466 1.00 0.00 O ATOM 250 OE2 GLU A2645 8.981 -5.139 -0.725 1.00 0.00 O ATOM 0 H GLU A2645 9.359 -0.999 -4.436 1.00 0.00 H new ATOM 0 HA GLU A2645 8.375 -3.555 -4.256 1.00 0.00 H new ATOM 0 HB2 GLU A2645 8.452 -1.129 -2.565 1.00 0.00 H new ATOM 0 HB3 GLU A2645 7.128 -2.202 -2.158 1.00 0.00 H new ATOM 0 HG2 GLU A2645 10.019 -3.094 -2.385 1.00 0.00 H new ATOM 0 HG3 GLU A2645 9.262 -2.604 -0.882 1.00 0.00 H new ATOM 257 N ARG A2646 5.882 -3.745 -4.401 1.00 0.00 N ATOM 258 CA ARG A2646 4.466 -3.909 -4.722 1.00 0.00 C ATOM 259 C ARG A2646 3.638 -4.002 -3.441 1.00 0.00 C ATOM 260 O ARG A2646 3.542 -5.064 -2.825 1.00 0.00 O ATOM 261 CB ARG A2646 4.257 -5.158 -5.577 1.00 0.00 C ATOM 262 CG ARG A2646 4.512 -4.926 -7.058 1.00 0.00 C ATOM 263 CD ARG A2646 5.766 -5.643 -7.531 1.00 0.00 C ATOM 264 NE ARG A2646 5.566 -6.290 -8.826 1.00 0.00 N ATOM 265 CZ ARG A2646 5.376 -7.598 -8.990 1.00 0.00 C ATOM 266 NH1 ARG A2646 5.336 -8.412 -7.940 1.00 0.00 N ATOM 267 NH2 ARG A2646 5.214 -8.094 -10.208 1.00 0.00 N ATOM 0 H ARG A2646 6.348 -4.605 -4.113 1.00 0.00 H new ATOM 0 HA ARG A2646 4.136 -3.038 -5.289 1.00 0.00 H new ATOM 0 HB2 ARG A2646 4.919 -5.948 -5.221 1.00 0.00 H new ATOM 0 HB3 ARG A2646 3.236 -5.514 -5.443 1.00 0.00 H new ATOM 0 HG2 ARG A2646 3.655 -5.274 -7.634 1.00 0.00 H new ATOM 0 HG3 ARG A2646 4.610 -3.857 -7.247 1.00 0.00 H new ATOM 0 HD2 ARG A2646 6.587 -4.930 -7.604 1.00 0.00 H new ATOM 0 HD3 ARG A2646 6.058 -6.390 -6.793 1.00 0.00 H new ATOM 0 HE ARG A2646 5.572 -5.701 -9.659 1.00 0.00 H new ATOM 0 HH11 ARG A2646 5.451 -8.036 -6.999 1.00 0.00 H new ATOM 0 HH12 ARG A2646 5.190 -9.412 -8.075 1.00 0.00 H new ATOM 0 HH21 ARG A2646 5.235 -7.474 -11.018 1.00 0.00 H new ATOM 0 HH22 ARG A2646 5.068 -9.095 -10.336 1.00 0.00 H new ATOM 281 N VAL A2647 3.065 -2.873 -3.034 1.00 0.00 N ATOM 282 CA VAL A2647 2.270 -2.812 -1.811 1.00 0.00 C ATOM 283 C VAL A2647 0.919 -3.519 -1.957 1.00 0.00 C ATOM 284 O VAL A2647 0.173 -3.248 -2.896 1.00 0.00 O ATOM 285 CB VAL A2647 2.016 -1.357 -1.386 1.00 0.00 C ATOM 286 CG1 VAL A2647 1.376 -1.304 -0.009 1.00 0.00 C ATOM 287 CG2 VAL A2647 3.310 -0.560 -1.408 1.00 0.00 C ATOM 0 H VAL A2647 3.136 -1.987 -3.534 1.00 0.00 H new ATOM 0 HA VAL A2647 2.854 -3.327 -1.048 1.00 0.00 H new ATOM 0 HB VAL A2647 1.325 -0.908 -2.100 1.00 0.00 H new ATOM 0 HG11 VAL A2647 1.205 -0.265 0.273 1.00 0.00 H new ATOM 0 HG12 VAL A2647 0.425 -1.836 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A2647 2.039 -1.773 0.719 1.00 0.00 H new ATOM 0 HG21 VAL A2647 3.110 0.467 -1.104 1.00 0.00 H new ATOM 0 HG22 VAL A2647 4.026 -1.009 -0.719 1.00 0.00 H new ATOM 0 HG23 VAL A2647 3.724 -0.566 -2.416 1.00 0.00 H new ATOM 297 N PRO A2648 0.577 -4.423 -1.012 1.00 0.00 N ATOM 298 CA PRO A2648 -0.690 -5.152 -1.021 1.00 0.00 C ATOM 299 C PRO A2648 -1.846 -4.299 -0.501 1.00 0.00 C ATOM 300 O PRO A2648 -1.724 -3.626 0.532 1.00 0.00 O ATOM 301 CB PRO A2648 -0.445 -6.343 -0.078 1.00 0.00 C ATOM 302 CG PRO A2648 0.972 -6.222 0.385 1.00 0.00 C ATOM 303 CD PRO A2648 1.380 -4.796 0.149 1.00 0.00 C ATOM 0 HA PRO A2648 -0.973 -5.450 -2.030 1.00 0.00 H new ATOM 0 HB2 PRO A2648 -1.134 -6.320 0.766 1.00 0.00 H new ATOM 0 HB3 PRO A2648 -0.606 -7.289 -0.595 1.00 0.00 H new ATOM 0 HG2 PRO A2648 1.058 -6.480 1.441 1.00 0.00 H new ATOM 0 HG3 PRO A2648 1.619 -6.906 -0.164 1.00 0.00 H new ATOM 0 HD2 PRO A2648 1.164 -4.165 1.011 1.00 0.00 H new ATOM 0 HD3 PRO A2648 2.448 -4.708 -0.051 1.00 0.00 H new ATOM 311 N VAL A2649 -2.967 -4.330 -1.214 1.00 0.00 N ATOM 312 CA VAL A2649 -4.141 -3.558 -0.825 1.00 0.00 C ATOM 313 C VAL A2649 -5.300 -4.468 -0.437 1.00 0.00 C ATOM 314 O VAL A2649 -5.471 -5.549 -1.000 1.00 0.00 O ATOM 315 CB VAL A2649 -4.587 -2.619 -1.961 1.00 0.00 C ATOM 316 CG1 VAL A2649 -3.475 -1.641 -2.304 1.00 0.00 C ATOM 317 CG2 VAL A2649 -5.000 -3.419 -3.191 1.00 0.00 C ATOM 0 H VAL A2649 -3.087 -4.881 -2.064 1.00 0.00 H new ATOM 0 HA VAL A2649 -3.858 -2.961 0.042 1.00 0.00 H new ATOM 0 HB VAL A2649 -5.453 -2.052 -1.621 1.00 0.00 H new ATOM 0 HG11 VAL A2649 -3.804 -0.983 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A2649 -3.231 -1.045 -1.425 1.00 0.00 H new ATOM 0 HG13 VAL A2649 -2.591 -2.193 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A2649 -5.311 -2.736 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL A2649 -4.156 -4.015 -3.538 1.00 0.00 H new ATOM 0 HG23 VAL A2649 -5.829 -4.079 -2.934 1.00 0.00 H new ATOM 327 N VAL A2650 -6.090 -4.020 0.531 1.00 0.00 N ATOM 328 CA VAL A2650 -7.233 -4.790 1.001 1.00 0.00 C ATOM 329 C VAL A2650 -8.513 -3.960 0.965 1.00 0.00 C ATOM 330 O VAL A2650 -8.568 -2.858 1.513 1.00 0.00 O ATOM 331 CB VAL A2650 -7.020 -5.330 2.435 1.00 0.00 C ATOM 332 CG1 VAL A2650 -6.946 -6.849 2.428 1.00 0.00 C ATOM 333 CG2 VAL A2650 -5.764 -4.739 3.064 1.00 0.00 C ATOM 0 H VAL A2650 -5.959 -3.127 1.006 1.00 0.00 H new ATOM 0 HA VAL A2650 -7.331 -5.637 0.322 1.00 0.00 H new ATOM 0 HB VAL A2650 -7.875 -5.025 3.038 1.00 0.00 H new ATOM 0 HG11 VAL A2650 -6.796 -7.211 3.445 1.00 0.00 H new ATOM 0 HG12 VAL A2650 -7.876 -7.257 2.031 1.00 0.00 H new ATOM 0 HG13 VAL A2650 -6.113 -7.170 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A2650 -5.640 -5.137 4.071 1.00 0.00 H new ATOM 0 HG22 VAL A2650 -4.896 -5.003 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A2650 -5.857 -3.654 3.111 1.00 0.00 H new ATOM 343 N ASN A2651 -9.538 -4.503 0.320 1.00 0.00 N ATOM 344 CA ASN A2651 -10.823 -3.822 0.215 1.00 0.00 C ATOM 345 C ASN A2651 -11.435 -3.622 1.595 1.00 0.00 C ATOM 346 O ASN A2651 -11.460 -4.538 2.416 1.00 0.00 O ATOM 347 CB ASN A2651 -11.790 -4.609 -0.670 1.00 0.00 C ATOM 348 CG ASN A2651 -13.069 -3.841 -0.941 1.00 0.00 C ATOM 349 OD1 ASN A2651 -13.728 -3.371 -0.016 1.00 0.00 O ATOM 350 ND2 ASN A2651 -13.428 -3.706 -2.211 1.00 0.00 N ATOM 0 H ASN A2651 -9.505 -5.413 -0.139 1.00 0.00 H new ATOM 0 HA ASN A2651 -10.648 -2.848 -0.242 1.00 0.00 H new ATOM 0 HB2 ASN A2651 -11.303 -4.847 -1.616 1.00 0.00 H new ATOM 0 HB3 ASN A2651 -12.032 -5.557 -0.189 1.00 0.00 H new ATOM 0 HD21 ASN A2651 -14.279 -3.197 -2.449 1.00 0.00 H new ATOM 0 HD22 ASN A2651 -12.853 -4.111 -2.949 1.00 0.00 H new ATOM 357 N LYS A2652 -11.906 -2.410 1.849 1.00 0.00 N ATOM 358 CA LYS A2652 -12.495 -2.068 3.137 1.00 0.00 C ATOM 359 C LYS A2652 -13.817 -2.796 3.381 1.00 0.00 C ATOM 360 O LYS A2652 -14.161 -3.094 4.524 1.00 0.00 O ATOM 361 CB LYS A2652 -12.714 -0.556 3.230 1.00 0.00 C ATOM 362 CG LYS A2652 -11.590 0.265 2.613 1.00 0.00 C ATOM 363 CD LYS A2652 -10.987 1.240 3.614 1.00 0.00 C ATOM 364 CE LYS A2652 -11.202 2.684 3.186 1.00 0.00 C ATOM 365 NZ LYS A2652 -10.338 3.624 3.953 1.00 0.00 N ATOM 0 H LYS A2652 -11.892 -1.643 1.177 1.00 0.00 H new ATOM 0 HA LYS A2652 -11.794 -2.390 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A2652 -13.651 -0.303 2.734 1.00 0.00 H new ATOM 0 HB3 LYS A2652 -12.822 -0.277 4.278 1.00 0.00 H new ATOM 0 HG2 LYS A2652 -10.813 -0.403 2.243 1.00 0.00 H new ATOM 0 HG3 LYS A2652 -11.972 0.816 1.754 1.00 0.00 H new ATOM 0 HD2 LYS A2652 -11.435 1.080 4.595 1.00 0.00 H new ATOM 0 HD3 LYS A2652 -9.919 1.045 3.716 1.00 0.00 H new ATOM 0 HE2 LYS A2652 -10.990 2.783 2.121 1.00 0.00 H new ATOM 0 HE3 LYS A2652 -12.248 2.953 3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A2652 -10.514 4.598 3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A2652 -10.557 3.549 4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A2652 -9.338 3.383 3.796 1.00 0.00 H new ATOM 379 N ARG A2653 -14.573 -3.050 2.318 1.00 0.00 N ATOM 380 CA ARG A2653 -15.872 -3.706 2.446 1.00 0.00 C ATOM 381 C ARG A2653 -15.795 -5.226 2.284 1.00 0.00 C ATOM 382 O ARG A2653 -16.172 -5.970 3.188 1.00 0.00 O ATOM 383 CB ARG A2653 -16.837 -3.140 1.403 1.00 0.00 C ATOM 384 CG ARG A2653 -17.375 -1.762 1.752 1.00 0.00 C ATOM 385 CD ARG A2653 -18.312 -1.242 0.672 1.00 0.00 C ATOM 386 NE ARG A2653 -19.716 -1.435 1.028 1.00 0.00 N ATOM 387 CZ ARG A2653 -20.709 -1.461 0.141 1.00 0.00 C ATOM 388 NH1 ARG A2653 -20.459 -1.308 -1.153 1.00 0.00 N ATOM 389 NH2 ARG A2653 -21.957 -1.641 0.552 1.00 0.00 N ATOM 0 H ARG A2653 -14.311 -2.813 1.361 1.00 0.00 H new ATOM 0 HA ARG A2653 -16.228 -3.505 3.456 1.00 0.00 H new ATOM 0 HB2 ARG A2653 -16.328 -3.088 0.440 1.00 0.00 H new ATOM 0 HB3 ARG A2653 -17.674 -3.828 1.285 1.00 0.00 H new ATOM 0 HG2 ARG A2653 -17.904 -1.807 2.704 1.00 0.00 H new ATOM 0 HG3 ARG A2653 -16.545 -1.068 1.881 1.00 0.00 H new ATOM 0 HD2 ARG A2653 -18.122 -0.181 0.507 1.00 0.00 H new ATOM 0 HD3 ARG A2653 -18.102 -1.754 -0.267 1.00 0.00 H new ATOM 0 HE ARG A2653 -19.949 -1.557 2.013 1.00 0.00 H new ATOM 0 HH11 ARG A2653 -19.501 -1.169 -1.474 1.00 0.00 H new ATOM 0 HH12 ARG A2653 -21.225 -1.329 -1.826 1.00 0.00 H new ATOM 0 HH21 ARG A2653 -22.155 -1.759 1.546 1.00 0.00 H new ATOM 0 HH22 ARG A2653 -22.719 -1.661 -0.126 1.00 0.00 H new ATOM 403 N ASN A2654 -15.343 -5.684 1.119 1.00 0.00 N ATOM 404 CA ASN A2654 -15.267 -7.122 0.847 1.00 0.00 C ATOM 405 C ASN A2654 -13.988 -7.756 1.387 1.00 0.00 C ATOM 406 O ASN A2654 -13.872 -8.982 1.426 1.00 0.00 O ATOM 407 CB ASN A2654 -15.405 -7.419 -0.656 1.00 0.00 C ATOM 408 CG ASN A2654 -14.966 -6.271 -1.546 1.00 0.00 C ATOM 409 OD1 ASN A2654 -15.416 -5.136 -1.382 1.00 0.00 O ATOM 410 ND2 ASN A2654 -14.091 -6.564 -2.500 1.00 0.00 N ATOM 0 H ASN A2654 -15.026 -5.089 0.353 1.00 0.00 H new ATOM 0 HA ASN A2654 -16.108 -7.572 1.375 1.00 0.00 H new ATOM 0 HB2 ASN A2654 -14.814 -8.302 -0.899 1.00 0.00 H new ATOM 0 HB3 ASN A2654 -16.445 -7.661 -0.876 1.00 0.00 H new ATOM 0 HD21 ASN A2654 -13.765 -5.835 -3.134 1.00 0.00 H new ATOM 0 HD22 ASN A2654 -13.745 -7.518 -2.599 1.00 0.00 H new ATOM 417 N GLY A2655 -13.035 -6.938 1.819 1.00 0.00 N ATOM 418 CA GLY A2655 -11.799 -7.476 2.360 1.00 0.00 C ATOM 419 C GLY A2655 -10.869 -8.047 1.303 1.00 0.00 C ATOM 420 O GLY A2655 -9.810 -8.580 1.634 1.00 0.00 O ATOM 0 H GLY A2655 -13.094 -5.920 1.805 1.00 0.00 H new ATOM 0 HA2 GLY A2655 -11.277 -6.688 2.904 1.00 0.00 H new ATOM 0 HA3 GLY A2655 -12.038 -8.257 3.082 1.00 0.00 H new ATOM 424 N LYS A2656 -11.251 -7.939 0.030 1.00 0.00 N ATOM 425 CA LYS A2656 -10.421 -8.454 -1.059 1.00 0.00 C ATOM 426 C LYS A2656 -8.978 -7.991 -0.894 1.00 0.00 C ATOM 427 O LYS A2656 -8.705 -6.796 -0.850 1.00 0.00 O ATOM 428 CB LYS A2656 -10.966 -7.996 -2.413 1.00 0.00 C ATOM 429 CG LYS A2656 -10.184 -8.539 -3.598 1.00 0.00 C ATOM 430 CD LYS A2656 -11.092 -8.826 -4.785 1.00 0.00 C ATOM 431 CE LYS A2656 -12.153 -9.859 -4.441 1.00 0.00 C ATOM 432 NZ LYS A2656 -12.174 -10.980 -5.420 1.00 0.00 N ATOM 0 H LYS A2656 -12.123 -7.503 -0.271 1.00 0.00 H new ATOM 0 HA LYS A2656 -10.447 -9.543 -1.022 1.00 0.00 H new ATOM 0 HB2 LYS A2656 -12.007 -8.308 -2.501 1.00 0.00 H new ATOM 0 HB3 LYS A2656 -10.956 -6.907 -2.450 1.00 0.00 H new ATOM 0 HG2 LYS A2656 -9.419 -7.820 -3.890 1.00 0.00 H new ATOM 0 HG3 LYS A2656 -9.667 -9.453 -3.305 1.00 0.00 H new ATOM 0 HD2 LYS A2656 -11.573 -7.903 -5.107 1.00 0.00 H new ATOM 0 HD3 LYS A2656 -10.494 -9.183 -5.623 1.00 0.00 H new ATOM 0 HE2 LYS A2656 -11.966 -10.253 -3.442 1.00 0.00 H new ATOM 0 HE3 LYS A2656 -13.132 -9.380 -4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A2656 -12.911 -11.663 -5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A2656 -12.378 -10.608 -6.370 1.00 0.00 H new ATOM 0 HZ3 LYS A2656 -11.248 -11.454 -5.425 1.00 0.00 H new ATOM 446 N LYS A2657 -8.059 -8.942 -0.799 1.00 0.00 N ATOM 447 CA LYS A2657 -6.648 -8.621 -0.629 1.00 0.00 C ATOM 448 C LYS A2657 -5.849 -8.946 -1.885 1.00 0.00 C ATOM 449 O LYS A2657 -5.969 -10.034 -2.448 1.00 0.00 O ATOM 450 CB LYS A2657 -6.069 -9.387 0.562 1.00 0.00 C ATOM 451 CG LYS A2657 -4.597 -9.099 0.812 1.00 0.00 C ATOM 452 CD LYS A2657 -4.250 -9.188 2.289 1.00 0.00 C ATOM 453 CE LYS A2657 -2.747 -9.226 2.506 1.00 0.00 C ATOM 454 NZ LYS A2657 -2.197 -7.879 2.824 1.00 0.00 N ATOM 0 H LYS A2657 -8.264 -9.940 -0.837 1.00 0.00 H new ATOM 0 HA LYS A2657 -6.573 -7.550 -0.443 1.00 0.00 H new ATOM 0 HB2 LYS A2657 -6.637 -9.134 1.457 1.00 0.00 H new ATOM 0 HB3 LYS A2657 -6.198 -10.456 0.394 1.00 0.00 H new ATOM 0 HG2 LYS A2657 -3.987 -9.808 0.252 1.00 0.00 H new ATOM 0 HG3 LYS A2657 -4.352 -8.104 0.440 1.00 0.00 H new ATOM 0 HD2 LYS A2657 -4.673 -8.333 2.816 1.00 0.00 H new ATOM 0 HD3 LYS A2657 -4.703 -10.082 2.717 1.00 0.00 H new ATOM 0 HE2 LYS A2657 -2.515 -9.914 3.319 1.00 0.00 H new ATOM 0 HE3 LYS A2657 -2.261 -9.615 1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A2657 -1.185 -7.852 2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A2657 -2.702 -7.158 2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A2657 -2.319 -7.685 3.838 1.00 0.00 H new ATOM 468 N MET A2658 -5.028 -7.994 -2.309 1.00 0.00 N ATOM 469 CA MET A2658 -4.197 -8.172 -3.491 1.00 0.00 C ATOM 470 C MET A2658 -2.754 -7.783 -3.193 1.00 0.00 C ATOM 471 O MET A2658 -2.425 -6.601 -3.111 1.00 0.00 O ATOM 472 CB MET A2658 -4.730 -7.341 -4.656 1.00 0.00 C ATOM 473 CG MET A2658 -6.246 -7.343 -4.766 1.00 0.00 C ATOM 474 SD MET A2658 -6.834 -6.596 -6.300 1.00 0.00 S ATOM 475 CE MET A2658 -6.819 -4.861 -5.859 1.00 0.00 C ATOM 0 H MET A2658 -4.920 -7.089 -1.851 1.00 0.00 H new ATOM 0 HA MET A2658 -4.228 -9.225 -3.770 1.00 0.00 H new ATOM 0 HB2 MET A2658 -4.384 -6.313 -4.546 1.00 0.00 H new ATOM 0 HB3 MET A2658 -4.307 -7.722 -5.586 1.00 0.00 H new ATOM 0 HG2 MET A2658 -6.609 -8.369 -4.704 1.00 0.00 H new ATOM 0 HG3 MET A2658 -6.668 -6.803 -3.919 1.00 0.00 H new ATOM 0 HE1 MET A2658 -7.682 -4.365 -6.303 1.00 0.00 H new ATOM 0 HE2 MET A2658 -6.861 -4.761 -4.774 1.00 0.00 H new ATOM 0 HE3 MET A2658 -5.904 -4.399 -6.231 1.00 0.00 H new ATOM 526 N ALA A2663 -0.986 -5.707 -7.193 1.00 0.00 N ATOM 527 CA ALA A2663 -1.000 -4.686 -6.156 1.00 0.00 C ATOM 528 C ALA A2663 -0.275 -3.421 -6.613 1.00 0.00 C ATOM 529 O ALA A2663 0.631 -3.477 -7.443 1.00 0.00 O ATOM 530 CB ALA A2663 -0.388 -5.225 -4.875 1.00 0.00 C ATOM 0 HA ALA A2663 -2.038 -4.418 -5.959 1.00 0.00 H new ATOM 0 HB1 ALA A2663 -0.406 -4.450 -4.109 1.00 0.00 H new ATOM 0 HB2 ALA A2663 -0.961 -6.087 -4.532 1.00 0.00 H new ATOM 0 HB3 ALA A2663 0.643 -5.526 -5.063 1.00 0.00 H new ATOM 536 N PRO A2664 -0.684 -2.256 -6.081 1.00 0.00 N ATOM 537 CA PRO A2664 -0.091 -0.960 -6.438 1.00 0.00 C ATOM 538 C PRO A2664 1.393 -0.852 -6.090 1.00 0.00 C ATOM 539 O PRO A2664 1.845 -1.376 -5.069 1.00 0.00 O ATOM 540 CB PRO A2664 -0.897 0.046 -5.611 1.00 0.00 C ATOM 541 CG PRO A2664 -1.510 -0.754 -4.513 1.00 0.00 C ATOM 542 CD PRO A2664 -1.770 -2.109 -5.098 1.00 0.00 C ATOM 0 HA PRO A2664 -0.135 -0.795 -7.515 1.00 0.00 H new ATOM 0 HB2 PRO A2664 -0.256 0.833 -5.214 1.00 0.00 H new ATOM 0 HB3 PRO A2664 -1.661 0.532 -6.218 1.00 0.00 H new ATOM 0 HG2 PRO A2664 -0.841 -0.819 -3.655 1.00 0.00 H new ATOM 0 HG3 PRO A2664 -2.434 -0.295 -4.162 1.00 0.00 H new ATOM 0 HD2 PRO A2664 -1.736 -2.890 -4.339 1.00 0.00 H new ATOM 0 HD3 PRO A2664 -2.752 -2.164 -5.569 1.00 0.00 H new ATOM 550 N PRO A2665 2.173 -0.150 -6.937 1.00 0.00 N ATOM 551 CA PRO A2665 3.598 0.049 -6.719 1.00 0.00 C ATOM 552 C PRO A2665 3.869 1.248 -5.817 1.00 0.00 C ATOM 553 O PRO A2665 3.127 2.232 -5.832 1.00 0.00 O ATOM 554 CB PRO A2665 4.126 0.293 -8.129 1.00 0.00 C ATOM 555 CG PRO A2665 2.997 0.952 -8.851 1.00 0.00 C ATOM 556 CD PRO A2665 1.717 0.520 -8.170 1.00 0.00 C ATOM 0 HA PRO A2665 4.072 -0.794 -6.216 1.00 0.00 H new ATOM 0 HB2 PRO A2665 5.011 0.929 -8.115 1.00 0.00 H new ATOM 0 HB3 PRO A2665 4.412 -0.642 -8.611 1.00 0.00 H new ATOM 0 HG2 PRO A2665 3.102 2.037 -8.821 1.00 0.00 H new ATOM 0 HG3 PRO A2665 2.991 0.662 -9.902 1.00 0.00 H new ATOM 0 HD2 PRO A2665 1.077 1.373 -7.946 1.00 0.00 H new ATOM 0 HD3 PRO A2665 1.139 -0.156 -8.800 1.00 0.00 H new ATOM 564 N MET A2666 4.919 1.147 -5.014 1.00 0.00 N ATOM 565 CA MET A2666 5.283 2.202 -4.073 1.00 0.00 C ATOM 566 C MET A2666 5.205 3.598 -4.698 1.00 0.00 C ATOM 567 O MET A2666 4.578 4.497 -4.137 1.00 0.00 O ATOM 568 CB MET A2666 6.693 1.961 -3.534 1.00 0.00 C ATOM 569 CG MET A2666 6.801 2.140 -2.032 1.00 0.00 C ATOM 570 SD MET A2666 6.196 0.699 -1.137 1.00 0.00 S ATOM 571 CE MET A2666 5.817 1.421 0.453 1.00 0.00 C ATOM 0 H MET A2666 5.540 0.338 -4.994 1.00 0.00 H new ATOM 0 HA MET A2666 4.559 2.166 -3.259 1.00 0.00 H new ATOM 0 HB2 MET A2666 7.006 0.950 -3.796 1.00 0.00 H new ATOM 0 HB3 MET A2666 7.384 2.646 -4.025 1.00 0.00 H new ATOM 0 HG2 MET A2666 7.841 2.324 -1.762 1.00 0.00 H new ATOM 0 HG3 MET A2666 6.233 3.020 -1.730 1.00 0.00 H new ATOM 0 HE1 MET A2666 5.414 0.654 1.114 1.00 0.00 H new ATOM 0 HE2 MET A2666 6.725 1.836 0.890 1.00 0.00 H new ATOM 0 HE3 MET A2666 5.080 2.214 0.326 1.00 0.00 H new ATOM 581 N LYS A2667 5.869 3.787 -5.835 1.00 0.00 N ATOM 582 CA LYS A2667 5.890 5.099 -6.492 1.00 0.00 C ATOM 583 C LYS A2667 4.536 5.506 -7.086 1.00 0.00 C ATOM 584 O LYS A2667 4.402 6.615 -7.601 1.00 0.00 O ATOM 585 CB LYS A2667 6.958 5.127 -7.585 1.00 0.00 C ATOM 586 CG LYS A2667 6.687 4.165 -8.729 1.00 0.00 C ATOM 587 CD LYS A2667 7.862 3.229 -8.960 1.00 0.00 C ATOM 588 CE LYS A2667 8.562 3.523 -10.277 1.00 0.00 C ATOM 589 NZ LYS A2667 9.793 2.703 -10.448 1.00 0.00 N ATOM 0 H LYS A2667 6.395 3.060 -6.319 1.00 0.00 H new ATOM 0 HA LYS A2667 6.126 5.825 -5.714 1.00 0.00 H new ATOM 0 HB2 LYS A2667 7.031 6.139 -7.983 1.00 0.00 H new ATOM 0 HB3 LYS A2667 7.925 4.888 -7.142 1.00 0.00 H new ATOM 0 HG2 LYS A2667 5.793 3.581 -8.511 1.00 0.00 H new ATOM 0 HG3 LYS A2667 6.485 4.729 -9.640 1.00 0.00 H new ATOM 0 HD2 LYS A2667 8.573 3.328 -8.140 1.00 0.00 H new ATOM 0 HD3 LYS A2667 7.512 2.197 -8.956 1.00 0.00 H new ATOM 0 HE2 LYS A2667 7.878 3.327 -11.103 1.00 0.00 H new ATOM 0 HE3 LYS A2667 8.822 4.581 -10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A2667 10.240 2.934 -11.358 1.00 0.00 H new ATOM 0 HZ2 LYS A2667 10.457 2.908 -9.674 1.00 0.00 H new ATOM 0 HZ3 LYS A2667 9.543 1.694 -10.431 1.00 0.00 H new ATOM 603 N ASP A2668 3.536 4.629 -7.026 1.00 0.00 N ATOM 604 CA ASP A2668 2.220 4.957 -7.580 1.00 0.00 C ATOM 605 C ASP A2668 1.091 4.710 -6.576 1.00 0.00 C ATOM 606 O ASP A2668 -0.081 4.905 -6.895 1.00 0.00 O ATOM 607 CB ASP A2668 1.963 4.154 -8.855 1.00 0.00 C ATOM 608 CG ASP A2668 1.088 4.900 -9.842 1.00 0.00 C ATOM 609 OD1 ASP A2668 -0.126 4.607 -9.898 1.00 0.00 O ATOM 610 OD2 ASP A2668 1.614 5.777 -10.558 1.00 0.00 O ATOM 0 H ASP A2668 3.606 3.701 -6.608 1.00 0.00 H new ATOM 0 HA ASP A2668 2.229 6.022 -7.814 1.00 0.00 H new ATOM 0 HB2 ASP A2668 2.915 3.914 -9.328 1.00 0.00 H new ATOM 0 HB3 ASP A2668 1.488 3.208 -8.596 1.00 0.00 H new ATOM 615 N LEU A2669 1.445 4.277 -5.369 1.00 0.00 N ATOM 616 CA LEU A2669 0.452 4.000 -4.328 1.00 0.00 C ATOM 617 C LEU A2669 -0.617 5.096 -4.231 1.00 0.00 C ATOM 618 O LEU A2669 -1.804 4.795 -4.115 1.00 0.00 O ATOM 619 CB LEU A2669 1.137 3.838 -2.969 1.00 0.00 C ATOM 620 CG LEU A2669 2.088 2.648 -2.858 1.00 0.00 C ATOM 621 CD1 LEU A2669 2.876 2.717 -1.559 1.00 0.00 C ATOM 622 CD2 LEU A2669 1.316 1.344 -2.944 1.00 0.00 C ATOM 0 H LEU A2669 2.410 4.110 -5.085 1.00 0.00 H new ATOM 0 HA LEU A2669 -0.047 3.072 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A2669 1.694 4.749 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A2669 0.369 3.741 -2.202 1.00 0.00 H new ATOM 0 HG LEU A2669 2.792 2.688 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A2669 3.549 1.862 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A2669 3.457 3.639 -1.535 1.00 0.00 H new ATOM 0 HD13 LEU A2669 2.187 2.700 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A2669 2.008 0.506 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A2669 0.591 1.296 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A2669 0.794 1.293 -3.899 1.00 0.00 H new ATOM 634 N PRO A2670 -0.217 6.382 -4.260 1.00 0.00 N ATOM 635 CA PRO A2670 -1.159 7.506 -4.156 1.00 0.00 C ATOM 636 C PRO A2670 -2.112 7.593 -5.345 1.00 0.00 C ATOM 637 O PRO A2670 -3.261 8.023 -5.205 1.00 0.00 O ATOM 638 CB PRO A2670 -0.251 8.745 -4.115 1.00 0.00 C ATOM 639 CG PRO A2670 1.110 8.227 -3.794 1.00 0.00 C ATOM 640 CD PRO A2670 1.173 6.849 -4.380 1.00 0.00 C ATOM 0 HA PRO A2670 -1.803 7.401 -3.283 1.00 0.00 H new ATOM 0 HB2 PRO A2670 -0.257 9.268 -5.071 1.00 0.00 H new ATOM 0 HB3 PRO A2670 -0.589 9.455 -3.361 1.00 0.00 H new ATOM 0 HG2 PRO A2670 1.882 8.868 -4.219 1.00 0.00 H new ATOM 0 HG3 PRO A2670 1.274 8.201 -2.717 1.00 0.00 H new ATOM 0 HD2 PRO A2670 1.506 6.865 -5.418 1.00 0.00 H new ATOM 0 HD3 PRO A2670 1.864 6.208 -3.833 1.00 0.00 H new ATOM 648 N ARG A2671 -1.642 7.152 -6.504 1.00 0.00 N ATOM 649 CA ARG A2671 -2.463 7.162 -7.705 1.00 0.00 C ATOM 650 C ARG A2671 -3.457 6.016 -7.646 1.00 0.00 C ATOM 651 O ARG A2671 -4.666 6.211 -7.774 1.00 0.00 O ATOM 652 CB ARG A2671 -1.589 7.046 -8.956 1.00 0.00 C ATOM 653 CG ARG A2671 -1.885 8.108 -10.005 1.00 0.00 C ATOM 654 CD ARG A2671 -2.375 7.489 -11.305 1.00 0.00 C ATOM 655 NE ARG A2671 -1.282 7.255 -12.245 1.00 0.00 N ATOM 656 CZ ARG A2671 -1.453 7.067 -13.552 1.00 0.00 C ATOM 657 NH1 ARG A2671 -2.671 7.084 -14.078 1.00 0.00 N ATOM 658 NH2 ARG A2671 -0.402 6.861 -14.334 1.00 0.00 N ATOM 0 H ARG A2671 -0.700 6.784 -6.637 1.00 0.00 H new ATOM 0 HA ARG A2671 -3.005 8.106 -7.758 1.00 0.00 H new ATOM 0 HB2 ARG A2671 -0.541 7.117 -8.665 1.00 0.00 H new ATOM 0 HB3 ARG A2671 -1.731 6.060 -9.399 1.00 0.00 H new ATOM 0 HG2 ARG A2671 -2.638 8.798 -9.623 1.00 0.00 H new ATOM 0 HG3 ARG A2671 -0.985 8.692 -10.196 1.00 0.00 H new ATOM 0 HD2 ARG A2671 -2.877 6.546 -11.091 1.00 0.00 H new ATOM 0 HD3 ARG A2671 -3.114 8.146 -11.764 1.00 0.00 H new ATOM 0 HE ARG A2671 -0.330 7.234 -11.878 1.00 0.00 H new ATOM 0 HH11 ARG A2671 -3.482 7.242 -13.480 1.00 0.00 H new ATOM 0 HH12 ARG A2671 -2.796 6.939 -15.080 1.00 0.00 H new ATOM 0 HH21 ARG A2671 0.536 6.847 -13.934 1.00 0.00 H new ATOM 0 HH22 ARG A2671 -0.532 6.717 -15.335 1.00 0.00 H new ATOM 672 N TRP A2672 -2.928 4.820 -7.437 1.00 0.00 N ATOM 673 CA TRP A2672 -3.749 3.628 -7.344 1.00 0.00 C ATOM 674 C TRP A2672 -4.788 3.771 -6.245 1.00 0.00 C ATOM 675 O TRP A2672 -5.957 3.442 -6.440 1.00 0.00 O ATOM 676 CB TRP A2672 -2.866 2.418 -7.074 1.00 0.00 C ATOM 677 CG TRP A2672 -3.603 1.116 -7.098 1.00 0.00 C ATOM 678 CD1 TRP A2672 -3.584 0.188 -8.097 1.00 0.00 C ATOM 679 CD2 TRP A2672 -4.448 0.587 -6.070 1.00 0.00 C ATOM 680 NE1 TRP A2672 -4.366 -0.888 -7.755 1.00 0.00 N ATOM 681 CE2 TRP A2672 -4.908 -0.666 -6.516 1.00 0.00 C ATOM 682 CE3 TRP A2672 -4.861 1.049 -4.815 1.00 0.00 C ATOM 683 CZ2 TRP A2672 -5.756 -1.461 -5.752 1.00 0.00 C ATOM 684 CZ3 TRP A2672 -5.705 0.258 -4.060 1.00 0.00 C ATOM 685 CH2 TRP A2672 -6.143 -0.986 -4.531 1.00 0.00 C ATOM 0 H TRP A2672 -1.928 4.652 -7.328 1.00 0.00 H new ATOM 0 HA TRP A2672 -4.272 3.491 -8.291 1.00 0.00 H new ATOM 0 HB2 TRP A2672 -2.069 2.388 -7.817 1.00 0.00 H new ATOM 0 HB3 TRP A2672 -2.389 2.537 -6.101 1.00 0.00 H new ATOM 0 HD1 TRP A2672 -3.035 0.285 -9.022 1.00 0.00 H new ATOM 0 HE1 TRP A2672 -4.518 -1.717 -8.329 1.00 0.00 H new ATOM 0 HE3 TRP A2672 -4.526 2.006 -4.444 1.00 0.00 H new ATOM 0 HZ2 TRP A2672 -6.097 -2.421 -6.112 1.00 0.00 H new ATOM 0 HZ3 TRP A2672 -6.032 0.604 -3.091 1.00 0.00 H new ATOM 0 HH2 TRP A2672 -6.801 -1.582 -3.916 1.00 0.00 H new ATOM 696 N LEU A2673 -4.363 4.272 -5.087 1.00 0.00 N ATOM 697 CA LEU A2673 -5.286 4.453 -3.980 1.00 0.00 C ATOM 698 C LEU A2673 -6.394 5.407 -4.388 1.00 0.00 C ATOM 699 O LEU A2673 -7.575 5.075 -4.287 1.00 0.00 O ATOM 700 CB LEU A2673 -4.556 4.971 -2.749 1.00 0.00 C ATOM 701 CG LEU A2673 -4.174 3.879 -1.755 1.00 0.00 C ATOM 702 CD1 LEU A2673 -5.421 3.222 -1.179 1.00 0.00 C ATOM 703 CD2 LEU A2673 -3.283 2.842 -2.427 1.00 0.00 C ATOM 0 H LEU A2673 -3.401 4.554 -4.897 1.00 0.00 H new ATOM 0 HA LEU A2673 -5.726 3.489 -3.726 1.00 0.00 H new ATOM 0 HB2 LEU A2673 -3.653 5.493 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A2673 -5.187 5.703 -2.245 1.00 0.00 H new ATOM 0 HG LEU A2673 -3.618 4.334 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A2673 -5.129 2.445 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A2673 -6.024 3.972 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU A2673 -6.004 2.778 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A2673 -3.018 2.068 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A2673 -3.817 2.391 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A2673 -2.376 3.324 -2.793 1.00 0.00 H new ATOM 715 N GLU A2674 -6.017 6.595 -4.865 1.00 0.00 N ATOM 716 CA GLU A2674 -7.007 7.574 -5.296 1.00 0.00 C ATOM 717 C GLU A2674 -8.000 6.925 -6.254 1.00 0.00 C ATOM 718 O GLU A2674 -9.178 7.283 -6.288 1.00 0.00 O ATOM 719 CB GLU A2674 -6.321 8.765 -5.969 1.00 0.00 C ATOM 720 CG GLU A2674 -6.152 9.967 -5.054 1.00 0.00 C ATOM 721 CD GLU A2674 -5.088 10.928 -5.545 1.00 0.00 C ATOM 722 OE1 GLU A2674 -4.102 11.148 -4.810 1.00 0.00 O ATOM 723 OE2 GLU A2674 -5.239 11.460 -6.664 1.00 0.00 O ATOM 0 H GLU A2674 -5.047 6.896 -4.960 1.00 0.00 H new ATOM 0 HA GLU A2674 -7.547 7.936 -4.421 1.00 0.00 H new ATOM 0 HB2 GLU A2674 -5.341 8.453 -6.330 1.00 0.00 H new ATOM 0 HB3 GLU A2674 -6.902 9.062 -6.842 1.00 0.00 H new ATOM 0 HG2 GLU A2674 -7.103 10.494 -4.973 1.00 0.00 H new ATOM 0 HG3 GLU A2674 -5.892 9.623 -4.053 1.00 0.00 H new ATOM 730 N GLU A2675 -7.506 5.963 -7.028 1.00 0.00 N ATOM 731 CA GLU A2675 -8.331 5.246 -7.991 1.00 0.00 C ATOM 732 C GLU A2675 -9.154 4.150 -7.313 1.00 0.00 C ATOM 733 O GLU A2675 -10.211 3.761 -7.812 1.00 0.00 O ATOM 734 CB GLU A2675 -7.447 4.636 -9.082 1.00 0.00 C ATOM 735 CG GLU A2675 -7.499 5.390 -10.401 1.00 0.00 C ATOM 736 CD GLU A2675 -6.519 4.849 -11.422 1.00 0.00 C ATOM 737 OE1 GLU A2675 -5.324 4.713 -11.083 1.00 0.00 O ATOM 738 OE2 GLU A2675 -6.944 4.560 -12.560 1.00 0.00 O ATOM 0 H GLU A2675 -6.532 5.662 -7.005 1.00 0.00 H new ATOM 0 HA GLU A2675 -9.024 5.959 -8.439 1.00 0.00 H new ATOM 0 HB2 GLU A2675 -6.416 4.609 -8.729 1.00 0.00 H new ATOM 0 HB3 GLU A2675 -7.753 3.604 -9.251 1.00 0.00 H new ATOM 0 HG2 GLU A2675 -8.509 5.334 -10.807 1.00 0.00 H new ATOM 0 HG3 GLU A2675 -7.286 6.444 -10.221 1.00 0.00 H new ATOM 745 N ASN A2676 -8.667 3.651 -6.179 1.00 0.00 N ATOM 746 CA ASN A2676 -9.368 2.597 -5.446 1.00 0.00 C ATOM 747 C ASN A2676 -9.756 3.067 -4.045 1.00 0.00 C ATOM 748 O ASN A2676 -9.113 2.705 -3.057 1.00 0.00 O ATOM 749 CB ASN A2676 -8.491 1.348 -5.353 1.00 0.00 C ATOM 750 CG ASN A2676 -8.234 0.719 -6.709 1.00 0.00 C ATOM 751 OD1 ASN A2676 -9.022 -0.100 -7.185 1.00 0.00 O ATOM 752 ND2 ASN A2676 -7.128 1.099 -7.338 1.00 0.00 N ATOM 0 H ASN A2676 -7.794 3.957 -5.749 1.00 0.00 H new ATOM 0 HA ASN A2676 -10.281 2.356 -5.991 1.00 0.00 H new ATOM 0 HB2 ASN A2676 -7.539 1.609 -4.891 1.00 0.00 H new ATOM 0 HB3 ASN A2676 -8.972 0.618 -4.702 1.00 0.00 H new ATOM 0 HD21 ASN A2676 -6.902 0.710 -8.253 1.00 0.00 H new ATOM 0 HD22 ASN A2676 -6.504 1.780 -6.906 1.00 0.00 H new ATOM 759 N PRO A2677 -10.822 3.879 -3.939 1.00 0.00 N ATOM 760 CA PRO A2677 -11.296 4.402 -2.650 1.00 0.00 C ATOM 761 C PRO A2677 -11.815 3.303 -1.727 1.00 0.00 C ATOM 762 O PRO A2677 -11.828 3.465 -0.506 1.00 0.00 O ATOM 763 CB PRO A2677 -12.431 5.351 -3.042 1.00 0.00 C ATOM 764 CG PRO A2677 -12.880 4.879 -4.382 1.00 0.00 C ATOM 765 CD PRO A2677 -11.648 4.354 -5.063 1.00 0.00 C ATOM 0 HA PRO A2677 -10.494 4.884 -2.091 1.00 0.00 H new ATOM 0 HB2 PRO A2677 -13.244 5.315 -2.317 1.00 0.00 H new ATOM 0 HB3 PRO A2677 -12.086 6.384 -3.082 1.00 0.00 H new ATOM 0 HG2 PRO A2677 -13.638 4.101 -4.289 1.00 0.00 H new ATOM 0 HG3 PRO A2677 -13.327 5.692 -4.954 1.00 0.00 H new ATOM 0 HD2 PRO A2677 -11.884 3.549 -5.758 1.00 0.00 H new ATOM 0 HD3 PRO A2677 -11.142 5.131 -5.635 1.00 0.00 H new ATOM 773 N GLU A2678 -12.244 2.191 -2.311 1.00 0.00 N ATOM 774 CA GLU A2678 -12.764 1.073 -1.531 1.00 0.00 C ATOM 775 C GLU A2678 -11.639 0.186 -1.006 1.00 0.00 C ATOM 776 O GLU A2678 -11.893 -0.805 -0.322 1.00 0.00 O ATOM 777 CB GLU A2678 -13.716 0.237 -2.383 1.00 0.00 C ATOM 778 CG GLU A2678 -14.798 1.051 -3.070 1.00 0.00 C ATOM 779 CD GLU A2678 -16.098 1.072 -2.289 1.00 0.00 C ATOM 780 OE1 GLU A2678 -16.083 1.523 -1.124 1.00 0.00 O ATOM 781 OE2 GLU A2678 -17.130 0.635 -2.842 1.00 0.00 O ATOM 0 H GLU A2678 -12.243 2.039 -3.320 1.00 0.00 H new ATOM 0 HA GLU A2678 -13.300 1.487 -0.677 1.00 0.00 H new ATOM 0 HB2 GLU A2678 -13.139 -0.295 -3.139 1.00 0.00 H new ATOM 0 HB3 GLU A2678 -14.187 -0.517 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU A2678 -14.445 2.073 -3.209 1.00 0.00 H new ATOM 0 HG3 GLU A2678 -14.982 0.640 -4.063 1.00 0.00 H new ATOM 788 N PHE A2679 -10.396 0.529 -1.339 1.00 0.00 N ATOM 789 CA PHE A2679 -9.256 -0.266 -0.903 1.00 0.00 C ATOM 790 C PHE A2679 -8.314 0.525 -0.002 1.00 0.00 C ATOM 791 O PHE A2679 -8.311 1.757 -0.003 1.00 0.00 O ATOM 792 CB PHE A2679 -8.489 -0.792 -2.115 1.00 0.00 C ATOM 793 CG PHE A2679 -9.064 -2.057 -2.676 1.00 0.00 C ATOM 794 CD1 PHE A2679 -10.254 -2.037 -3.385 1.00 0.00 C ATOM 795 CD2 PHE A2679 -8.417 -3.268 -2.491 1.00 0.00 C ATOM 796 CE1 PHE A2679 -10.788 -3.203 -3.900 1.00 0.00 C ATOM 797 CE2 PHE A2679 -8.945 -4.436 -3.004 1.00 0.00 C ATOM 798 CZ PHE A2679 -10.132 -4.405 -3.709 1.00 0.00 C ATOM 0 H PHE A2679 -10.157 1.344 -1.904 1.00 0.00 H new ATOM 0 HA PHE A2679 -9.647 -1.101 -0.321 1.00 0.00 H new ATOM 0 HB2 PHE A2679 -8.483 -0.028 -2.892 1.00 0.00 H new ATOM 0 HB3 PHE A2679 -7.451 -0.967 -1.832 1.00 0.00 H new ATOM 0 HD1 PHE A2679 -10.770 -1.100 -3.537 1.00 0.00 H new ATOM 0 HD2 PHE A2679 -7.489 -3.299 -1.939 1.00 0.00 H new ATOM 0 HE1 PHE A2679 -11.717 -3.175 -4.451 1.00 0.00 H new ATOM 0 HE2 PHE A2679 -8.430 -5.373 -2.854 1.00 0.00 H new ATOM 0 HZ PHE A2679 -10.547 -5.318 -4.110 1.00 0.00 H new ATOM 808 N ALA A2680 -7.507 -0.209 0.757 1.00 0.00 N ATOM 809 CA ALA A2680 -6.534 0.382 1.667 1.00 0.00 C ATOM 810 C ALA A2680 -5.259 -0.454 1.678 1.00 0.00 C ATOM 811 O ALA A2680 -5.199 -1.498 1.031 1.00 0.00 O ATOM 812 CB ALA A2680 -7.115 0.500 3.069 1.00 0.00 C ATOM 0 H ALA A2680 -7.509 -1.229 0.758 1.00 0.00 H new ATOM 0 HA ALA A2680 -6.290 1.386 1.319 1.00 0.00 H new ATOM 0 HB1 ALA A2680 -6.374 0.943 3.734 1.00 0.00 H new ATOM 0 HB2 ALA A2680 -8.003 1.132 3.043 1.00 0.00 H new ATOM 0 HB3 ALA A2680 -7.385 -0.490 3.436 1.00 0.00 H new ATOM 818 N VAL A2681 -4.234 0.003 2.392 1.00 0.00 N ATOM 819 CA VAL A2681 -2.968 -0.726 2.445 1.00 0.00 C ATOM 820 C VAL A2681 -2.873 -1.618 3.685 1.00 0.00 C ATOM 821 O VAL A2681 -3.297 -1.230 4.774 1.00 0.00 O ATOM 822 CB VAL A2681 -1.781 0.251 2.440 1.00 0.00 C ATOM 823 CG1 VAL A2681 -0.461 -0.498 2.440 1.00 0.00 C ATOM 824 CG2 VAL A2681 -1.869 1.194 1.250 1.00 0.00 C ATOM 0 H VAL A2681 -4.253 0.865 2.937 1.00 0.00 H new ATOM 0 HA VAL A2681 -2.931 -1.360 1.559 1.00 0.00 H new ATOM 0 HB VAL A2681 -1.828 0.847 3.352 1.00 0.00 H new ATOM 0 HG11 VAL A2681 0.363 0.216 2.436 1.00 0.00 H new ATOM 0 HG12 VAL A2681 -0.397 -1.122 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A2681 -0.400 -1.127 1.552 1.00 0.00 H new ATOM 0 HG21 VAL A2681 -1.020 1.878 1.264 1.00 0.00 H new ATOM 0 HG22 VAL A2681 -1.854 0.616 0.326 1.00 0.00 H new ATOM 0 HG23 VAL A2681 -2.796 1.765 1.306 1.00 0.00 H new ATOM 834 N ALA A2682 -2.326 -2.823 3.505 1.00 0.00 N ATOM 835 CA ALA A2682 -2.190 -3.783 4.608 1.00 0.00 C ATOM 836 C ALA A2682 -1.520 -3.159 5.840 1.00 0.00 C ATOM 837 O ALA A2682 -0.810 -2.161 5.735 1.00 0.00 O ATOM 838 CB ALA A2682 -1.412 -5.005 4.145 1.00 0.00 C ATOM 0 H ALA A2682 -1.971 -3.158 2.610 1.00 0.00 H new ATOM 0 HA ALA A2682 -3.195 -4.084 4.905 1.00 0.00 H new ATOM 0 HB1 ALA A2682 -1.317 -5.710 4.971 1.00 0.00 H new ATOM 0 HB2 ALA A2682 -1.941 -5.482 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A2682 -0.420 -4.700 3.812 1.00 0.00 H new ATOM 844 N PRO A2683 -1.745 -3.756 7.032 1.00 0.00 N ATOM 845 CA PRO A2683 -1.185 -3.268 8.306 1.00 0.00 C ATOM 846 C PRO A2683 0.327 -3.067 8.278 1.00 0.00 C ATOM 847 O PRO A2683 0.821 -1.984 8.593 1.00 0.00 O ATOM 848 CB PRO A2683 -1.559 -4.366 9.317 1.00 0.00 C ATOM 849 CG PRO A2683 -1.982 -5.535 8.493 1.00 0.00 C ATOM 850 CD PRO A2683 -2.565 -4.958 7.239 1.00 0.00 C ATOM 0 HA PRO A2683 -1.583 -2.283 8.549 1.00 0.00 H new ATOM 0 HB2 PRO A2683 -0.711 -4.620 9.953 1.00 0.00 H new ATOM 0 HB3 PRO A2683 -2.364 -4.037 9.975 1.00 0.00 H new ATOM 0 HG2 PRO A2683 -1.135 -6.183 8.269 1.00 0.00 H new ATOM 0 HG3 PRO A2683 -2.716 -6.142 9.023 1.00 0.00 H new ATOM 0 HD2 PRO A2683 -2.490 -5.650 6.400 1.00 0.00 H new ATOM 0 HD3 PRO A2683 -3.621 -4.714 7.357 1.00 0.00 H new ATOM 858 N ASP A2684 1.061 -4.102 7.904 1.00 0.00 N ATOM 859 CA ASP A2684 2.515 -4.011 7.843 1.00 0.00 C ATOM 860 C ASP A2684 2.933 -3.059 6.728 1.00 0.00 C ATOM 861 O ASP A2684 4.055 -2.533 6.713 1.00 0.00 O ATOM 862 CB ASP A2684 3.128 -5.394 7.610 1.00 0.00 C ATOM 863 CG ASP A2684 3.026 -6.284 8.832 1.00 0.00 C ATOM 864 OD1 ASP A2684 1.932 -6.350 9.430 1.00 0.00 O ATOM 865 OD2 ASP A2684 4.041 -6.917 9.191 1.00 0.00 O ATOM 0 H ASP A2684 0.680 -5.010 7.639 1.00 0.00 H new ATOM 0 HA ASP A2684 2.880 -3.625 8.795 1.00 0.00 H new ATOM 0 HB2 ASP A2684 2.625 -5.875 6.771 1.00 0.00 H new ATOM 0 HB3 ASP A2684 4.176 -5.282 7.332 1.00 0.00 H new ATOM 870 N TRP A2685 2.002 -2.797 5.821 1.00 0.00 N ATOM 871 CA TRP A2685 2.258 -1.885 4.734 1.00 0.00 C ATOM 872 C TRP A2685 1.767 -0.497 5.096 1.00 0.00 C ATOM 873 O TRP A2685 2.152 0.486 4.480 1.00 0.00 O ATOM 874 CB TRP A2685 1.627 -2.404 3.450 1.00 0.00 C ATOM 875 CG TRP A2685 2.381 -3.571 2.900 1.00 0.00 C ATOM 876 CD1 TRP A2685 2.080 -4.892 3.061 1.00 0.00 C ATOM 877 CD2 TRP A2685 3.579 -3.522 2.118 1.00 0.00 C ATOM 878 NE1 TRP A2685 3.016 -5.666 2.423 1.00 0.00 N ATOM 879 CE2 TRP A2685 3.946 -4.850 1.836 1.00 0.00 C ATOM 880 CE3 TRP A2685 4.377 -2.484 1.624 1.00 0.00 C ATOM 881 CZ2 TRP A2685 5.073 -5.168 1.085 1.00 0.00 C ATOM 882 CZ3 TRP A2685 5.497 -2.802 0.879 1.00 0.00 C ATOM 883 CH2 TRP A2685 5.836 -4.134 0.616 1.00 0.00 C ATOM 0 H TRP A2685 1.068 -3.206 5.823 1.00 0.00 H new ATOM 0 HA TRP A2685 3.332 -1.817 4.559 1.00 0.00 H new ATOM 0 HB2 TRP A2685 0.595 -2.695 3.643 1.00 0.00 H new ATOM 0 HB3 TRP A2685 1.600 -1.605 2.709 1.00 0.00 H new ATOM 0 HD1 TRP A2685 1.231 -5.272 3.609 1.00 0.00 H new ATOM 0 HE1 TRP A2685 3.019 -6.685 2.391 1.00 0.00 H new ATOM 0 HE3 TRP A2685 4.122 -1.453 1.821 1.00 0.00 H new ATOM 0 HZ2 TRP A2685 5.336 -6.195 0.879 1.00 0.00 H new ATOM 0 HZ3 TRP A2685 6.121 -2.009 0.493 1.00 0.00 H new ATOM 0 HH2 TRP A2685 6.718 -4.350 0.031 1.00 0.00 H new ATOM 894 N THR A2686 0.958 -0.414 6.146 1.00 0.00 N ATOM 895 CA THR A2686 0.487 0.867 6.621 1.00 0.00 C ATOM 896 C THR A2686 1.704 1.621 7.144 1.00 0.00 C ATOM 897 O THR A2686 1.930 2.789 6.819 1.00 0.00 O ATOM 898 CB THR A2686 -0.569 0.677 7.719 1.00 0.00 C ATOM 899 OG1 THR A2686 -1.855 0.525 7.147 1.00 0.00 O ATOM 900 CG2 THR A2686 -0.645 1.821 8.710 1.00 0.00 C ATOM 0 H THR A2686 0.620 -1.217 6.677 1.00 0.00 H new ATOM 0 HA THR A2686 0.008 1.432 5.821 1.00 0.00 H new ATOM 0 HB THR A2686 -0.255 -0.217 8.258 1.00 0.00 H new ATOM 0 HG1 THR A2686 -1.879 -0.294 6.609 1.00 0.00 H new ATOM 0 HG21 THR A2686 -1.415 1.609 9.452 1.00 0.00 H new ATOM 0 HG22 THR A2686 0.318 1.935 9.208 1.00 0.00 H new ATOM 0 HG23 THR A2686 -0.893 2.743 8.183 1.00 0.00 H new ATOM 908 N ASP A2687 2.512 0.905 7.928 1.00 0.00 N ATOM 909 CA ASP A2687 3.735 1.462 8.477 1.00 0.00 C ATOM 910 C ASP A2687 4.796 1.569 7.386 1.00 0.00 C ATOM 911 O ASP A2687 5.383 2.636 7.193 1.00 0.00 O ATOM 912 CB ASP A2687 4.246 0.606 9.639 1.00 0.00 C ATOM 913 CG ASP A2687 4.642 -0.792 9.208 1.00 0.00 C ATOM 914 OD1 ASP A2687 3.800 -1.708 9.320 1.00 0.00 O ATOM 915 OD2 ASP A2687 5.792 -0.972 8.758 1.00 0.00 O ATOM 0 H ASP A2687 2.335 -0.064 8.194 1.00 0.00 H new ATOM 0 HA ASP A2687 3.521 2.460 8.859 1.00 0.00 H new ATOM 0 HB2 ASP A2687 5.105 1.097 10.096 1.00 0.00 H new ATOM 0 HB3 ASP A2687 3.472 0.540 10.404 1.00 0.00 H new ATOM 920 N ILE A2688 5.038 0.474 6.648 1.00 0.00 N ATOM 921 CA ILE A2688 6.025 0.507 5.574 1.00 0.00 C ATOM 922 C ILE A2688 5.706 1.634 4.591 1.00 0.00 C ATOM 923 O ILE A2688 6.529 2.519 4.353 1.00 0.00 O ATOM 924 CB ILE A2688 6.075 -0.840 4.817 1.00 0.00 C ATOM 925 CG1 ILE A2688 6.594 -1.950 5.734 1.00 0.00 C ATOM 926 CG2 ILE A2688 6.943 -0.729 3.571 1.00 0.00 C ATOM 927 CD1 ILE A2688 6.232 -3.344 5.263 1.00 0.00 C ATOM 0 H ILE A2688 4.571 -0.424 6.776 1.00 0.00 H new ATOM 0 HA ILE A2688 7.000 0.686 6.027 1.00 0.00 H new ATOM 0 HB ILE A2688 5.062 -1.093 4.504 1.00 0.00 H new ATOM 0 HG12 ILE A2688 7.679 -1.871 5.809 1.00 0.00 H new ATOM 0 HG13 ILE A2688 6.194 -1.799 6.736 1.00 0.00 H new ATOM 0 HG21 ILE A2688 6.963 -1.689 3.055 1.00 0.00 H new ATOM 0 HG22 ILE A2688 6.531 0.031 2.907 1.00 0.00 H new ATOM 0 HG23 ILE A2688 7.957 -0.450 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A2688 6.632 -4.079 5.961 1.00 0.00 H new ATOM 0 HD12 ILE A2688 5.147 -3.442 5.215 1.00 0.00 H new ATOM 0 HD13 ILE A2688 6.655 -3.515 4.273 1.00 0.00 H new ATOM 939 N VAL A2689 4.501 1.596 4.028 1.00 0.00 N ATOM 940 CA VAL A2689 4.069 2.617 3.080 1.00 0.00 C ATOM 941 C VAL A2689 4.173 4.007 3.702 1.00 0.00 C ATOM 942 O VAL A2689 4.555 4.966 3.034 1.00 0.00 O ATOM 943 CB VAL A2689 2.631 2.365 2.575 1.00 0.00 C ATOM 944 CG1 VAL A2689 2.120 3.546 1.764 1.00 0.00 C ATOM 945 CG2 VAL A2689 2.572 1.086 1.750 1.00 0.00 C ATOM 0 H VAL A2689 3.808 0.870 4.212 1.00 0.00 H new ATOM 0 HA VAL A2689 4.736 2.561 2.220 1.00 0.00 H new ATOM 0 HB VAL A2689 1.984 2.249 3.445 1.00 0.00 H new ATOM 0 HG11 VAL A2689 1.106 3.341 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A2689 2.119 4.441 2.386 1.00 0.00 H new ATOM 0 HG13 VAL A2689 2.769 3.704 0.902 1.00 0.00 H new ATOM 0 HG21 VAL A2689 1.552 0.924 1.402 1.00 0.00 H new ATOM 0 HG22 VAL A2689 3.238 1.176 0.892 1.00 0.00 H new ATOM 0 HG23 VAL A2689 2.884 0.242 2.365 1.00 0.00 H new ATOM 955 N LYS A2690 3.849 4.123 4.987 1.00 0.00 N ATOM 956 CA LYS A2690 3.945 5.412 5.659 1.00 0.00 C ATOM 957 C LYS A2690 5.351 5.984 5.477 1.00 0.00 C ATOM 958 O LYS A2690 5.519 7.132 5.065 1.00 0.00 O ATOM 959 CB LYS A2690 3.622 5.275 7.148 1.00 0.00 C ATOM 960 CG LYS A2690 2.220 5.732 7.516 1.00 0.00 C ATOM 961 CD LYS A2690 2.194 6.428 8.868 1.00 0.00 C ATOM 962 CE LYS A2690 0.787 6.473 9.442 1.00 0.00 C ATOM 963 NZ LYS A2690 0.603 7.615 10.378 1.00 0.00 N ATOM 0 H LYS A2690 3.524 3.355 5.574 1.00 0.00 H new ATOM 0 HA LYS A2690 3.218 6.091 5.214 1.00 0.00 H new ATOM 0 HB2 LYS A2690 3.743 4.232 7.442 1.00 0.00 H new ATOM 0 HB3 LYS A2690 4.345 5.854 7.722 1.00 0.00 H new ATOM 0 HG2 LYS A2690 1.845 6.411 6.750 1.00 0.00 H new ATOM 0 HG3 LYS A2690 1.550 4.872 7.536 1.00 0.00 H new ATOM 0 HD2 LYS A2690 2.854 5.906 9.560 1.00 0.00 H new ATOM 0 HD3 LYS A2690 2.579 7.443 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A2690 0.066 6.551 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A2690 0.578 5.539 9.964 1.00 0.00 H new ATOM 0 HZ1 LYS A2690 -0.370 7.609 10.746 1.00 0.00 H new ATOM 0 HZ2 LYS A2690 1.273 7.527 11.168 1.00 0.00 H new ATOM 0 HZ3 LYS A2690 0.777 8.508 9.874 1.00 0.00 H new ATOM 977 N GLN A2691 6.359 5.156 5.751 1.00 0.00 N ATOM 978 CA GLN A2691 7.759 5.545 5.583 1.00 0.00 C ATOM 979 C GLN A2691 8.163 5.567 4.104 1.00 0.00 C ATOM 980 O GLN A2691 9.203 6.119 3.743 1.00 0.00 O ATOM 981 CB GLN A2691 8.663 4.576 6.348 1.00 0.00 C ATOM 982 CG GLN A2691 8.732 4.854 7.839 1.00 0.00 C ATOM 983 CD GLN A2691 9.164 3.640 8.638 1.00 0.00 C ATOM 984 OE1 GLN A2691 10.196 3.658 9.309 1.00 0.00 O ATOM 985 NE2 GLN A2691 8.374 2.575 8.568 1.00 0.00 N ATOM 0 H GLN A2691 6.230 4.204 6.093 1.00 0.00 H new ATOM 0 HA GLN A2691 7.876 6.553 5.981 1.00 0.00 H new ATOM 0 HB2 GLN A2691 8.304 3.559 6.193 1.00 0.00 H new ATOM 0 HB3 GLN A2691 9.669 4.625 5.931 1.00 0.00 H new ATOM 0 HG2 GLN A2691 9.430 5.671 8.021 1.00 0.00 H new ATOM 0 HG3 GLN A2691 7.754 5.186 8.189 1.00 0.00 H new ATOM 0 HE21 GLN A2691 7.528 2.604 7.999 1.00 0.00 H new ATOM 0 HE22 GLN A2691 8.613 1.728 9.083 1.00 0.00 H new ATOM 994 N SER A2692 7.343 4.938 3.262 1.00 0.00 N ATOM 995 CA SER A2692 7.603 4.843 1.821 1.00 0.00 C ATOM 996 C SER A2692 8.145 6.133 1.226 1.00 0.00 C ATOM 997 O SER A2692 8.901 6.109 0.258 1.00 0.00 O ATOM 998 CB SER A2692 6.316 4.471 1.076 1.00 0.00 C ATOM 999 OG SER A2692 5.596 5.636 0.667 1.00 0.00 O ATOM 0 H SER A2692 6.481 4.480 3.557 1.00 0.00 H new ATOM 0 HA SER A2692 8.363 4.071 1.700 1.00 0.00 H new ATOM 0 HB2 SER A2692 6.561 3.867 0.202 1.00 0.00 H new ATOM 0 HB3 SER A2692 5.685 3.859 1.720 1.00 0.00 H new ATOM 0 HG SER A2692 5.011 5.931 1.395 1.00 0.00 H new ATOM 1005 N GLY A2693 7.750 7.257 1.793 1.00 0.00 N ATOM 1006 CA GLY A2693 8.201 8.530 1.271 1.00 0.00 C ATOM 1007 C GLY A2693 7.492 8.903 -0.025 1.00 0.00 C ATOM 1008 O GLY A2693 7.509 10.066 -0.428 1.00 0.00 O ATOM 0 H GLY A2693 7.129 7.315 2.600 1.00 0.00 H new ATOM 0 HA2 GLY A2693 8.028 9.308 2.015 1.00 0.00 H new ATOM 0 HA3 GLY A2693 9.276 8.489 1.096 1.00 0.00 H new ATOM 1012 N PHE A2694 6.857 7.920 -0.678 1.00 0.00 N ATOM 1013 CA PHE A2694 6.138 8.173 -1.923 1.00 0.00 C ATOM 1014 C PHE A2694 4.727 8.636 -1.637 1.00 0.00 C ATOM 1015 O PHE A2694 4.163 9.432 -2.389 1.00 0.00 O ATOM 1016 CB PHE A2694 6.069 6.921 -2.805 1.00 0.00 C ATOM 1017 CG PHE A2694 7.360 6.177 -2.910 1.00 0.00 C ATOM 1018 CD1 PHE A2694 7.721 5.285 -1.925 1.00 0.00 C ATOM 1019 CD2 PHE A2694 8.212 6.369 -3.986 1.00 0.00 C ATOM 1020 CE1 PHE A2694 8.911 4.593 -2.000 1.00 0.00 C ATOM 1021 CE2 PHE A2694 9.405 5.680 -4.072 1.00 0.00 C ATOM 1022 CZ PHE A2694 9.756 4.791 -3.076 1.00 0.00 C ATOM 0 H PHE A2694 6.829 6.950 -0.363 1.00 0.00 H new ATOM 0 HA PHE A2694 6.689 8.950 -2.453 1.00 0.00 H new ATOM 0 HB2 PHE A2694 5.307 6.251 -2.407 1.00 0.00 H new ATOM 0 HB3 PHE A2694 5.747 7.211 -3.805 1.00 0.00 H new ATOM 0 HD1 PHE A2694 7.064 5.126 -1.083 1.00 0.00 H new ATOM 0 HD2 PHE A2694 7.940 7.065 -4.766 1.00 0.00 H new ATOM 0 HE1 PHE A2694 9.183 3.898 -1.220 1.00 0.00 H new ATOM 0 HE2 PHE A2694 10.061 5.836 -4.915 1.00 0.00 H new ATOM 0 HZ PHE A2694 10.689 4.251 -3.137 1.00 0.00 H new ATOM 1032 N VAL A2695 4.144 8.135 -0.553 1.00 0.00 N ATOM 1033 CA VAL A2695 2.784 8.514 -0.193 1.00 0.00 C ATOM 1034 C VAL A2695 2.768 9.766 0.679 1.00 0.00 C ATOM 1035 O VAL A2695 3.548 9.880 1.625 1.00 0.00 O ATOM 1036 CB VAL A2695 2.071 7.379 0.570 1.00 0.00 C ATOM 1037 CG1 VAL A2695 0.567 7.596 0.560 1.00 0.00 C ATOM 1038 CG2 VAL A2695 2.422 6.024 -0.026 1.00 0.00 C ATOM 0 H VAL A2695 4.586 7.473 0.085 1.00 0.00 H new ATOM 0 HA VAL A2695 2.259 8.714 -1.127 1.00 0.00 H new ATOM 0 HB VAL A2695 2.415 7.393 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A2695 0.079 6.786 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A2695 0.333 8.547 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A2695 0.208 7.611 -0.469 1.00 0.00 H new ATOM 0 HG21 VAL A2695 1.908 5.239 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A2695 2.111 5.994 -1.070 1.00 0.00 H new ATOM 0 HG23 VAL A2695 3.499 5.867 0.037 1.00 0.00 H new ATOM 1048 N PRO A2696 1.869 10.724 0.385 1.00 0.00 N ATOM 1049 CA PRO A2696 1.761 11.957 1.164 1.00 0.00 C ATOM 1050 C PRO A2696 1.181 11.700 2.550 1.00 0.00 C ATOM 1051 O PRO A2696 0.322 10.835 2.721 1.00 0.00 O ATOM 1052 CB PRO A2696 0.818 12.830 0.333 1.00 0.00 C ATOM 1053 CG PRO A2696 0.004 11.867 -0.461 1.00 0.00 C ATOM 1054 CD PRO A2696 0.887 10.675 -0.716 1.00 0.00 C ATOM 0 HA PRO A2696 2.732 12.421 1.339 1.00 0.00 H new ATOM 0 HB2 PRO A2696 0.187 13.448 0.971 1.00 0.00 H new ATOM 0 HB3 PRO A2696 1.375 13.506 -0.316 1.00 0.00 H new ATOM 0 HG2 PRO A2696 -0.894 11.576 0.084 1.00 0.00 H new ATOM 0 HG3 PRO A2696 -0.323 12.316 -1.399 1.00 0.00 H new ATOM 0 HD2 PRO A2696 0.318 9.745 -0.704 1.00 0.00 H new ATOM 0 HD3 PRO A2696 1.373 10.738 -1.689 1.00 0.00 H new ATOM 1062 N GLU A2697 1.669 12.440 3.539 1.00 0.00 N ATOM 1063 CA GLU A2697 1.214 12.276 4.916 1.00 0.00 C ATOM 1064 C GLU A2697 -0.308 12.333 5.013 1.00 0.00 C ATOM 1065 O GLU A2697 -0.908 11.640 5.835 1.00 0.00 O ATOM 1066 CB GLU A2697 1.840 13.344 5.817 1.00 0.00 C ATOM 1067 CG GLU A2697 1.309 14.747 5.572 1.00 0.00 C ATOM 1068 CD GLU A2697 1.675 15.712 6.684 1.00 0.00 C ATOM 1069 OE1 GLU A2697 1.082 16.810 6.736 1.00 0.00 O ATOM 1070 OE2 GLU A2697 2.554 15.369 7.504 1.00 0.00 O ATOM 0 H GLU A2697 2.380 13.160 3.414 1.00 0.00 H new ATOM 0 HA GLU A2697 1.536 11.291 5.255 1.00 0.00 H new ATOM 0 HB2 GLU A2697 1.662 13.076 6.858 1.00 0.00 H new ATOM 0 HB3 GLU A2697 2.920 13.344 5.667 1.00 0.00 H new ATOM 0 HG2 GLU A2697 1.703 15.121 4.627 1.00 0.00 H new ATOM 0 HG3 GLU A2697 0.224 14.709 5.472 1.00 0.00 H new ATOM 1077 N SER A2698 -0.929 13.155 4.179 1.00 0.00 N ATOM 1078 CA SER A2698 -2.382 13.291 4.185 1.00 0.00 C ATOM 1079 C SER A2698 -3.057 11.985 3.783 1.00 0.00 C ATOM 1080 O SER A2698 -4.138 11.658 4.273 1.00 0.00 O ATOM 1081 CB SER A2698 -2.811 14.412 3.237 1.00 0.00 C ATOM 1082 OG SER A2698 -2.420 15.680 3.735 1.00 0.00 O ATOM 0 H SER A2698 -0.452 13.737 3.490 1.00 0.00 H new ATOM 0 HA SER A2698 -2.693 13.539 5.200 1.00 0.00 H new ATOM 0 HB2 SER A2698 -2.367 14.251 2.255 1.00 0.00 H new ATOM 0 HB3 SER A2698 -3.893 14.387 3.106 1.00 0.00 H new ATOM 0 HG SER A2698 -2.705 16.379 3.110 1.00 0.00 H new ATOM 1088 N MET A2699 -2.414 11.240 2.888 1.00 0.00 N ATOM 1089 CA MET A2699 -2.959 9.969 2.422 1.00 0.00 C ATOM 1090 C MET A2699 -2.712 8.852 3.429 1.00 0.00 C ATOM 1091 O MET A2699 -3.158 7.722 3.232 1.00 0.00 O ATOM 1092 CB MET A2699 -2.355 9.591 1.071 1.00 0.00 C ATOM 1093 CG MET A2699 -3.138 10.140 -0.108 1.00 0.00 C ATOM 1094 SD MET A2699 -2.675 9.373 -1.670 1.00 0.00 S ATOM 1095 CE MET A2699 -3.553 7.817 -1.554 1.00 0.00 C ATOM 0 H MET A2699 -1.518 11.494 2.472 1.00 0.00 H new ATOM 0 HA MET A2699 -4.036 10.096 2.311 1.00 0.00 H new ATOM 0 HB2 MET A2699 -1.331 9.960 1.022 1.00 0.00 H new ATOM 0 HB3 MET A2699 -2.307 8.505 0.993 1.00 0.00 H new ATOM 0 HG2 MET A2699 -4.203 9.986 0.066 1.00 0.00 H new ATOM 0 HG3 MET A2699 -2.978 11.216 -0.175 1.00 0.00 H new ATOM 0 HE1 MET A2699 -2.838 7.005 -1.420 1.00 0.00 H new ATOM 0 HE2 MET A2699 -4.233 7.846 -0.703 1.00 0.00 H new ATOM 0 HE3 MET A2699 -4.123 7.652 -2.468 1.00 0.00 H new ATOM 1105 N PHE A2700 -2.006 9.163 4.514 1.00 0.00 N ATOM 1106 CA PHE A2700 -1.725 8.165 5.537 1.00 0.00 C ATOM 1107 C PHE A2700 -3.020 7.563 6.081 1.00 0.00 C ATOM 1108 O PHE A2700 -3.009 6.484 6.673 1.00 0.00 O ATOM 1109 CB PHE A2700 -0.890 8.773 6.672 1.00 0.00 C ATOM 1110 CG PHE A2700 0.579 8.920 6.349 1.00 0.00 C ATOM 1111 CD1 PHE A2700 1.145 8.275 5.255 1.00 0.00 C ATOM 1112 CD2 PHE A2700 1.400 9.700 7.150 1.00 0.00 C ATOM 1113 CE1 PHE A2700 2.488 8.406 4.971 1.00 0.00 C ATOM 1114 CE2 PHE A2700 2.747 9.833 6.867 1.00 0.00 C ATOM 1115 CZ PHE A2700 3.290 9.184 5.775 1.00 0.00 C ATOM 0 H PHE A2700 -1.623 10.089 4.704 1.00 0.00 H new ATOM 0 HA PHE A2700 -1.146 7.363 5.078 1.00 0.00 H new ATOM 0 HB2 PHE A2700 -1.296 9.753 6.922 1.00 0.00 H new ATOM 0 HB3 PHE A2700 -0.995 8.149 7.560 1.00 0.00 H new ATOM 0 HD1 PHE A2700 0.524 7.662 4.618 1.00 0.00 H new ATOM 0 HD2 PHE A2700 0.982 10.210 8.005 1.00 0.00 H new ATOM 0 HE1 PHE A2700 2.911 7.898 4.117 1.00 0.00 H new ATOM 0 HE2 PHE A2700 3.374 10.444 7.499 1.00 0.00 H new ATOM 0 HZ PHE A2700 4.342 9.287 5.553 1.00 0.00 H new