USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 471 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2651 ASN : amide:sc= -3.46! C(o=-14!,f=-23!) USER MOD Set 1.2: A2654 ASN : amide:sc= -10.1! C(o=-14!,f=-14!) USER MOD Set 2.1: A2639 ASN : amide:sc= -2.18 K(o=-2.2,f=-0.56) USER MOD Set 2.2: A2640 THR OG1 : rot 180:sc= 0 USER MOD Single : A2642 THR OG1 : rot 180:sc= 0 USER MOD Single : A2652 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2656 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2657 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2658 MET CE :methyl -123:sc= -1.87 (180deg=-4.98!) USER MOD Single : A2666 MET CE :methyl 152:sc= -18.6! (180deg=-21.4!) USER MOD Single : A2667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2676 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.6) USER MOD Single : A2686 THR OG1 : rot -150:sc= -2.73! USER MOD Single : A2690 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2691 GLN : amide:sc= 0.22 X(o=0.22,f=0) USER MOD Single : A2692 SER OG : rot -91:sc= 1.26 USER MOD Single : A2698 SER OG : rot 180:sc= -0.108 USER MOD Single : A2699 MET CE :methyl -111:sc= -0.9 (180deg=-2.98) USER MOD ----------------------------------------------------------------- ATOM 140 N ILE A2638 11.465 -4.816 2.610 1.00 0.00 N ATOM 141 CA ILE A2638 10.857 -3.505 2.684 1.00 0.00 C ATOM 142 C ILE A2638 11.737 -2.440 2.048 1.00 0.00 C ATOM 143 O ILE A2638 11.236 -1.486 1.466 1.00 0.00 O ATOM 144 CB ILE A2638 10.557 -3.122 4.144 1.00 0.00 C ATOM 145 CG1 ILE A2638 11.813 -3.258 5.005 1.00 0.00 C ATOM 146 CG2 ILE A2638 9.435 -3.991 4.694 1.00 0.00 C ATOM 147 CD1 ILE A2638 11.866 -2.277 6.155 1.00 0.00 C ATOM 0 HA ILE A2638 9.922 -3.555 2.126 1.00 0.00 H new ATOM 0 HB ILE A2638 10.237 -2.080 4.172 1.00 0.00 H new ATOM 0 HG12 ILE A2638 11.864 -4.272 5.401 1.00 0.00 H new ATOM 0 HG13 ILE A2638 12.692 -3.116 4.376 1.00 0.00 H new ATOM 0 HG21 ILE A2638 9.231 -3.711 5.728 1.00 0.00 H new ATOM 0 HG22 ILE A2638 8.536 -3.846 4.095 1.00 0.00 H new ATOM 0 HG23 ILE A2638 9.733 -5.039 4.654 1.00 0.00 H new ATOM 0 HD11 ILE A2638 12.784 -2.431 6.723 1.00 0.00 H new ATOM 0 HD12 ILE A2638 11.846 -1.259 5.766 1.00 0.00 H new ATOM 0 HD13 ILE A2638 11.006 -2.433 6.806 1.00 0.00 H new ATOM 159 N ASN A2639 13.051 -2.607 2.139 1.00 0.00 N ATOM 160 CA ASN A2639 13.968 -1.639 1.544 1.00 0.00 C ATOM 161 C ASN A2639 13.758 -1.548 0.034 1.00 0.00 C ATOM 162 O ASN A2639 14.190 -0.589 -0.605 1.00 0.00 O ATOM 163 CB ASN A2639 15.435 -1.977 1.856 1.00 0.00 C ATOM 164 CG ASN A2639 15.670 -3.454 2.093 1.00 0.00 C ATOM 165 OD1 ASN A2639 16.367 -3.843 3.032 1.00 0.00 O ATOM 166 ND2 ASN A2639 15.092 -4.285 1.241 1.00 0.00 N ATOM 0 H ASN A2639 13.502 -3.391 2.611 1.00 0.00 H new ATOM 0 HA ASN A2639 13.746 -0.669 1.990 1.00 0.00 H new ATOM 0 HB2 ASN A2639 16.062 -1.644 1.028 1.00 0.00 H new ATOM 0 HB3 ASN A2639 15.750 -1.420 2.738 1.00 0.00 H new ATOM 0 HD21 ASN A2639 15.215 -5.292 1.347 1.00 0.00 H new ATOM 0 HD22 ASN A2639 14.523 -3.919 0.478 1.00 0.00 H new ATOM 173 N THR A2640 13.085 -2.551 -0.529 1.00 0.00 N ATOM 174 CA THR A2640 12.810 -2.581 -1.959 1.00 0.00 C ATOM 175 C THR A2640 11.633 -1.661 -2.314 1.00 0.00 C ATOM 176 O THR A2640 11.156 -1.636 -3.460 1.00 0.00 O ATOM 177 CB THR A2640 12.532 -4.020 -2.398 1.00 0.00 C ATOM 178 OG1 THR A2640 13.527 -4.894 -1.896 1.00 0.00 O ATOM 179 CG2 THR A2640 12.489 -4.193 -3.898 1.00 0.00 C ATOM 0 H THR A2640 12.721 -3.352 -0.013 1.00 0.00 H new ATOM 0 HA THR A2640 13.685 -2.211 -2.493 1.00 0.00 H new ATOM 0 HB THR A2640 11.549 -4.260 -1.994 1.00 0.00 H new ATOM 0 HG1 THR A2640 13.333 -5.810 -2.184 1.00 0.00 H new ATOM 0 HG21 THR A2640 12.288 -5.237 -4.138 1.00 0.00 H new ATOM 0 HG22 THR A2640 11.700 -3.566 -4.314 1.00 0.00 H new ATOM 0 HG23 THR A2640 13.448 -3.901 -4.326 1.00 0.00 H new ATOM 187 N LEU A2641 11.176 -0.880 -1.333 1.00 0.00 N ATOM 188 CA LEU A2641 10.088 0.053 -1.550 1.00 0.00 C ATOM 189 C LEU A2641 10.427 0.970 -2.713 1.00 0.00 C ATOM 190 O LEU A2641 9.596 1.205 -3.583 1.00 0.00 O ATOM 191 CB LEU A2641 9.853 0.888 -0.285 1.00 0.00 C ATOM 192 CG LEU A2641 9.166 0.169 0.887 1.00 0.00 C ATOM 193 CD1 LEU A2641 8.150 1.083 1.553 1.00 0.00 C ATOM 194 CD2 LEU A2641 8.503 -1.129 0.436 1.00 0.00 C ATOM 0 H LEU A2641 11.548 -0.881 -0.383 1.00 0.00 H new ATOM 0 HA LEU A2641 9.181 -0.505 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A2641 10.816 1.263 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A2641 9.251 1.756 -0.555 1.00 0.00 H new ATOM 0 HG LEU A2641 9.936 -0.087 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A2641 7.674 0.556 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A2641 8.654 1.973 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A2641 7.393 1.376 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A2641 8.027 -1.611 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A2641 7.751 -0.909 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A2641 9.256 -1.796 0.017 1.00 0.00 H new ATOM 206 N THR A2642 11.671 1.463 -2.696 1.00 0.00 N ATOM 207 CA THR A2642 12.244 2.369 -3.709 1.00 0.00 C ATOM 208 C THR A2642 11.358 2.625 -4.935 1.00 0.00 C ATOM 209 O THR A2642 11.863 2.694 -6.057 1.00 0.00 O ATOM 210 CB THR A2642 13.592 1.815 -4.174 1.00 0.00 C ATOM 211 OG1 THR A2642 13.447 0.500 -4.679 1.00 0.00 O ATOM 212 CG2 THR A2642 14.631 1.772 -3.075 1.00 0.00 C ATOM 0 H THR A2642 12.332 1.237 -1.953 1.00 0.00 H new ATOM 0 HA THR A2642 12.345 3.334 -3.213 1.00 0.00 H new ATOM 0 HB THR A2642 13.934 2.500 -4.950 1.00 0.00 H new ATOM 0 HG1 THR A2642 14.320 0.164 -4.972 1.00 0.00 H new ATOM 0 HG21 THR A2642 15.563 1.369 -3.471 1.00 0.00 H new ATOM 0 HG22 THR A2642 14.803 2.780 -2.697 1.00 0.00 H new ATOM 0 HG23 THR A2642 14.277 1.136 -2.264 1.00 0.00 H new ATOM 220 N GLY A2643 10.054 2.777 -4.738 1.00 0.00 N ATOM 221 CA GLY A2643 9.164 3.033 -5.852 1.00 0.00 C ATOM 222 C GLY A2643 8.830 1.793 -6.664 1.00 0.00 C ATOM 223 O GLY A2643 7.826 1.779 -7.377 1.00 0.00 O ATOM 0 H GLY A2643 9.598 2.727 -3.827 1.00 0.00 H new ATOM 0 HA2 GLY A2643 8.239 3.469 -5.474 1.00 0.00 H new ATOM 0 HA3 GLY A2643 9.621 3.774 -6.508 1.00 0.00 H new ATOM 227 N GLU A2644 9.686 0.768 -6.580 1.00 0.00 N ATOM 228 CA GLU A2644 9.501 -0.464 -7.346 1.00 0.00 C ATOM 229 C GLU A2644 8.688 -1.535 -6.612 1.00 0.00 C ATOM 230 O GLU A2644 7.938 -2.272 -7.251 1.00 0.00 O ATOM 231 CB GLU A2644 10.865 -1.038 -7.735 1.00 0.00 C ATOM 232 CG GLU A2644 11.360 -0.563 -9.091 1.00 0.00 C ATOM 233 CD GLU A2644 11.661 -1.708 -10.038 1.00 0.00 C ATOM 234 OE1 GLU A2644 10.768 -2.074 -10.831 1.00 0.00 O ATOM 235 OE2 GLU A2644 12.790 -2.241 -9.986 1.00 0.00 O ATOM 0 H GLU A2644 10.515 0.770 -5.986 1.00 0.00 H new ATOM 0 HA GLU A2644 8.926 -0.190 -8.230 1.00 0.00 H new ATOM 0 HB2 GLU A2644 11.596 -0.764 -6.974 1.00 0.00 H new ATOM 0 HB3 GLU A2644 10.804 -2.126 -7.741 1.00 0.00 H new ATOM 0 HG2 GLU A2644 10.609 0.087 -9.540 1.00 0.00 H new ATOM 0 HG3 GLU A2644 12.260 0.037 -8.955 1.00 0.00 H new ATOM 242 N GLU A2645 8.821 -1.640 -5.289 1.00 0.00 N ATOM 243 CA GLU A2645 8.067 -2.652 -4.549 1.00 0.00 C ATOM 244 C GLU A2645 6.559 -2.438 -4.647 1.00 0.00 C ATOM 245 O GLU A2645 6.076 -1.308 -4.660 1.00 0.00 O ATOM 246 CB GLU A2645 8.481 -2.665 -3.079 1.00 0.00 C ATOM 247 CG GLU A2645 9.354 -3.847 -2.707 1.00 0.00 C ATOM 248 CD GLU A2645 8.566 -5.137 -2.587 1.00 0.00 C ATOM 249 OE1 GLU A2645 7.693 -5.382 -3.447 1.00 0.00 O ATOM 250 OE2 GLU A2645 8.821 -5.903 -1.634 1.00 0.00 O ATOM 0 H GLU A2645 9.429 -1.052 -4.719 1.00 0.00 H new ATOM 0 HA GLU A2645 8.302 -3.613 -5.007 1.00 0.00 H new ATOM 0 HB2 GLU A2645 9.016 -1.743 -2.852 1.00 0.00 H new ATOM 0 HB3 GLU A2645 7.586 -2.675 -2.458 1.00 0.00 H new ATOM 0 HG2 GLU A2645 10.133 -3.970 -3.459 1.00 0.00 H new ATOM 0 HG3 GLU A2645 9.854 -3.641 -1.761 1.00 0.00 H new ATOM 257 N ARG A2646 5.826 -3.547 -4.684 1.00 0.00 N ATOM 258 CA ARG A2646 4.369 -3.512 -4.745 1.00 0.00 C ATOM 259 C ARG A2646 3.800 -3.651 -3.337 1.00 0.00 C ATOM 260 O ARG A2646 4.408 -4.299 -2.486 1.00 0.00 O ATOM 261 CB ARG A2646 3.842 -4.635 -5.641 1.00 0.00 C ATOM 262 CG ARG A2646 4.338 -4.552 -7.075 1.00 0.00 C ATOM 263 CD ARG A2646 5.637 -5.320 -7.261 1.00 0.00 C ATOM 264 NE ARG A2646 6.089 -5.303 -8.650 1.00 0.00 N ATOM 265 CZ ARG A2646 7.336 -5.579 -9.028 1.00 0.00 C ATOM 266 NH1 ARG A2646 8.256 -5.893 -8.124 1.00 0.00 N ATOM 267 NH2 ARG A2646 7.662 -5.542 -10.313 1.00 0.00 N ATOM 0 H ARG A2646 6.221 -4.487 -4.673 1.00 0.00 H new ATOM 0 HA ARG A2646 4.053 -2.560 -5.171 1.00 0.00 H new ATOM 0 HB2 ARG A2646 4.138 -5.595 -5.218 1.00 0.00 H new ATOM 0 HB3 ARG A2646 2.752 -4.608 -5.640 1.00 0.00 H new ATOM 0 HG2 ARG A2646 3.579 -4.951 -7.747 1.00 0.00 H new ATOM 0 HG3 ARG A2646 4.489 -3.508 -7.349 1.00 0.00 H new ATOM 0 HD2 ARG A2646 6.408 -4.888 -6.624 1.00 0.00 H new ATOM 0 HD3 ARG A2646 5.498 -6.352 -6.938 1.00 0.00 H new ATOM 0 HE ARG A2646 5.410 -5.066 -9.373 1.00 0.00 H new ATOM 0 HH11 ARG A2646 8.009 -5.924 -7.135 1.00 0.00 H new ATOM 0 HH12 ARG A2646 9.210 -6.104 -8.419 1.00 0.00 H new ATOM 0 HH21 ARG A2646 6.958 -5.302 -11.011 1.00 0.00 H new ATOM 0 HH22 ARG A2646 8.617 -5.753 -10.603 1.00 0.00 H new ATOM 281 N VAL A2647 2.652 -3.032 -3.075 1.00 0.00 N ATOM 282 CA VAL A2647 2.052 -3.096 -1.747 1.00 0.00 C ATOM 283 C VAL A2647 0.651 -3.714 -1.779 1.00 0.00 C ATOM 284 O VAL A2647 -0.209 -3.280 -2.544 1.00 0.00 O ATOM 285 CB VAL A2647 1.962 -1.694 -1.119 1.00 0.00 C ATOM 286 CG1 VAL A2647 1.428 -1.776 0.301 1.00 0.00 C ATOM 287 CG2 VAL A2647 3.319 -1.008 -1.151 1.00 0.00 C ATOM 0 H VAL A2647 2.124 -2.487 -3.756 1.00 0.00 H new ATOM 0 HA VAL A2647 2.700 -3.732 -1.144 1.00 0.00 H new ATOM 0 HB VAL A2647 1.265 -1.096 -1.707 1.00 0.00 H new ATOM 0 HG11 VAL A2647 1.372 -0.774 0.727 1.00 0.00 H new ATOM 0 HG12 VAL A2647 0.433 -2.222 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A2647 2.095 -2.391 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A2647 3.237 -0.018 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A2647 4.040 -1.602 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A2647 3.654 -0.912 -2.184 1.00 0.00 H new ATOM 297 N PRO A2648 0.402 -4.733 -0.934 1.00 0.00 N ATOM 298 CA PRO A2648 -0.901 -5.404 -0.856 1.00 0.00 C ATOM 299 C PRO A2648 -2.022 -4.459 -0.438 1.00 0.00 C ATOM 300 O PRO A2648 -1.898 -3.712 0.540 1.00 0.00 O ATOM 301 CB PRO A2648 -0.700 -6.486 0.213 1.00 0.00 C ATOM 302 CG PRO A2648 0.775 -6.649 0.332 1.00 0.00 C ATOM 303 CD PRO A2648 1.365 -5.306 0.016 1.00 0.00 C ATOM 0 HA PRO A2648 -1.201 -5.797 -1.827 1.00 0.00 H new ATOM 0 HB2 PRO A2648 -1.141 -6.187 1.164 1.00 0.00 H new ATOM 0 HB3 PRO A2648 -1.177 -7.421 -0.079 1.00 0.00 H new ATOM 0 HG2 PRO A2648 1.052 -6.971 1.336 1.00 0.00 H new ATOM 0 HG3 PRO A2648 1.141 -7.409 -0.359 1.00 0.00 H new ATOM 0 HD2 PRO A2648 1.465 -4.690 0.909 1.00 0.00 H new ATOM 0 HD3 PRO A2648 2.359 -5.396 -0.422 1.00 0.00 H new ATOM 311 N VAL A2649 -3.121 -4.504 -1.183 1.00 0.00 N ATOM 312 CA VAL A2649 -4.279 -3.666 -0.905 1.00 0.00 C ATOM 313 C VAL A2649 -5.480 -4.509 -0.522 1.00 0.00 C ATOM 314 O VAL A2649 -5.749 -5.544 -1.132 1.00 0.00 O ATOM 315 CB VAL A2649 -4.636 -2.786 -2.118 1.00 0.00 C ATOM 316 CG1 VAL A2649 -3.490 -1.838 -2.441 1.00 0.00 C ATOM 317 CG2 VAL A2649 -4.980 -3.650 -3.326 1.00 0.00 C ATOM 0 H VAL A2649 -3.233 -5.118 -1.990 1.00 0.00 H new ATOM 0 HA VAL A2649 -4.015 -3.020 -0.068 1.00 0.00 H new ATOM 0 HB VAL A2649 -5.514 -2.190 -1.867 1.00 0.00 H new ATOM 0 HG11 VAL A2649 -3.758 -1.223 -3.300 1.00 0.00 H new ATOM 0 HG12 VAL A2649 -3.296 -1.196 -1.582 1.00 0.00 H new ATOM 0 HG13 VAL A2649 -2.595 -2.415 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A2649 -5.229 -3.010 -4.172 1.00 0.00 H new ATOM 0 HG22 VAL A2649 -4.124 -4.274 -3.583 1.00 0.00 H new ATOM 0 HG23 VAL A2649 -5.833 -4.285 -3.088 1.00 0.00 H new ATOM 327 N VAL A2650 -6.203 -4.055 0.491 1.00 0.00 N ATOM 328 CA VAL A2650 -7.382 -4.770 0.951 1.00 0.00 C ATOM 329 C VAL A2650 -8.629 -3.908 0.841 1.00 0.00 C ATOM 330 O VAL A2650 -8.613 -2.720 1.172 1.00 0.00 O ATOM 331 CB VAL A2650 -7.263 -5.260 2.413 1.00 0.00 C ATOM 332 CG1 VAL A2650 -7.941 -6.612 2.572 1.00 0.00 C ATOM 333 CG2 VAL A2650 -5.812 -5.337 2.867 1.00 0.00 C ATOM 0 H VAL A2650 -5.995 -3.200 1.007 1.00 0.00 H new ATOM 0 HA VAL A2650 -7.461 -5.640 0.299 1.00 0.00 H new ATOM 0 HB VAL A2650 -7.767 -4.531 3.048 1.00 0.00 H new ATOM 0 HG11 VAL A2650 -7.850 -6.945 3.606 1.00 0.00 H new ATOM 0 HG12 VAL A2650 -8.996 -6.523 2.311 1.00 0.00 H new ATOM 0 HG13 VAL A2650 -7.464 -7.338 1.913 1.00 0.00 H new ATOM 0 HG21 VAL A2650 -5.772 -5.685 3.899 1.00 0.00 H new ATOM 0 HG22 VAL A2650 -5.267 -6.032 2.228 1.00 0.00 H new ATOM 0 HG23 VAL A2650 -5.357 -4.349 2.799 1.00 0.00 H new ATOM 343 N ASN A2651 -9.711 -4.528 0.397 1.00 0.00 N ATOM 344 CA ASN A2651 -10.987 -3.837 0.271 1.00 0.00 C ATOM 345 C ASN A2651 -11.584 -3.631 1.657 1.00 0.00 C ATOM 346 O ASN A2651 -11.688 -4.570 2.445 1.00 0.00 O ATOM 347 CB ASN A2651 -11.956 -4.625 -0.611 1.00 0.00 C ATOM 348 CG ASN A2651 -13.236 -3.859 -0.889 1.00 0.00 C ATOM 349 OD1 ASN A2651 -13.992 -3.540 0.025 1.00 0.00 O ATOM 350 ND2 ASN A2651 -13.487 -3.560 -2.158 1.00 0.00 N ATOM 0 H ASN A2651 -9.732 -5.509 0.117 1.00 0.00 H new ATOM 0 HA ASN A2651 -10.818 -2.870 -0.204 1.00 0.00 H new ATOM 0 HB2 ASN A2651 -11.469 -4.868 -1.555 1.00 0.00 H new ATOM 0 HB3 ASN A2651 -12.199 -5.570 -0.125 1.00 0.00 H new ATOM 0 HD21 ASN A2651 -14.334 -3.047 -2.403 1.00 0.00 H new ATOM 0 HD22 ASN A2651 -12.833 -3.843 -2.888 1.00 0.00 H new ATOM 357 N LYS A2652 -11.943 -2.395 1.962 1.00 0.00 N ATOM 358 CA LYS A2652 -12.495 -2.059 3.271 1.00 0.00 C ATOM 359 C LYS A2652 -13.881 -2.661 3.490 1.00 0.00 C ATOM 360 O LYS A2652 -14.312 -2.828 4.631 1.00 0.00 O ATOM 361 CB LYS A2652 -12.560 -0.539 3.443 1.00 0.00 C ATOM 362 CG LYS A2652 -11.427 0.207 2.750 1.00 0.00 C ATOM 363 CD LYS A2652 -11.269 1.617 3.297 1.00 0.00 C ATOM 364 CE LYS A2652 -11.121 2.637 2.179 1.00 0.00 C ATOM 365 NZ LYS A2652 -11.858 3.896 2.475 1.00 0.00 N ATOM 0 H LYS A2652 -11.863 -1.604 1.322 1.00 0.00 H new ATOM 0 HA LYS A2652 -11.828 -2.489 4.018 1.00 0.00 H new ATOM 0 HB2 LYS A2652 -13.512 -0.179 3.053 1.00 0.00 H new ATOM 0 HB3 LYS A2652 -12.542 -0.302 4.507 1.00 0.00 H new ATOM 0 HG2 LYS A2652 -10.495 -0.342 2.882 1.00 0.00 H new ATOM 0 HG3 LYS A2652 -11.622 0.251 1.678 1.00 0.00 H new ATOM 0 HD2 LYS A2652 -12.135 1.870 3.909 1.00 0.00 H new ATOM 0 HD3 LYS A2652 -10.396 1.660 3.948 1.00 0.00 H new ATOM 0 HE2 LYS A2652 -10.065 2.861 2.030 1.00 0.00 H new ATOM 0 HE3 LYS A2652 -11.491 2.210 1.247 1.00 0.00 H new ATOM 0 HZ1 LYS A2652 -11.732 4.565 1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A2652 -12.870 3.686 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A2652 -11.488 4.317 3.351 1.00 0.00 H new ATOM 379 N ARG A2653 -14.590 -2.967 2.409 1.00 0.00 N ATOM 380 CA ARG A2653 -15.933 -3.524 2.521 1.00 0.00 C ATOM 381 C ARG A2653 -15.942 -5.048 2.399 1.00 0.00 C ATOM 382 O ARG A2653 -16.377 -5.747 3.314 1.00 0.00 O ATOM 383 CB ARG A2653 -16.838 -2.920 1.445 1.00 0.00 C ATOM 384 CG ARG A2653 -17.213 -1.471 1.709 1.00 0.00 C ATOM 385 CD ARG A2653 -18.553 -1.362 2.418 1.00 0.00 C ATOM 386 NE ARG A2653 -18.550 -0.315 3.437 1.00 0.00 N ATOM 387 CZ ARG A2653 -18.626 0.985 3.165 1.00 0.00 C ATOM 388 NH1 ARG A2653 -18.713 1.402 1.907 1.00 0.00 N ATOM 389 NH2 ARG A2653 -18.615 1.872 4.150 1.00 0.00 N ATOM 0 H ARG A2653 -14.260 -2.840 1.452 1.00 0.00 H new ATOM 0 HA ARG A2653 -16.306 -3.270 3.513 1.00 0.00 H new ATOM 0 HB2 ARG A2653 -16.335 -2.987 0.480 1.00 0.00 H new ATOM 0 HB3 ARG A2653 -17.748 -3.515 1.372 1.00 0.00 H new ATOM 0 HG2 ARG A2653 -16.440 -0.999 2.315 1.00 0.00 H new ATOM 0 HG3 ARG A2653 -17.254 -0.927 0.765 1.00 0.00 H new ATOM 0 HD2 ARG A2653 -19.334 -1.154 1.687 1.00 0.00 H new ATOM 0 HD3 ARG A2653 -18.797 -2.318 2.881 1.00 0.00 H new ATOM 0 HE ARG A2653 -18.486 -0.598 4.415 1.00 0.00 H new ATOM 0 HH11 ARG A2653 -18.722 0.724 1.145 1.00 0.00 H new ATOM 0 HH12 ARG A2653 -18.771 2.400 1.703 1.00 0.00 H new ATOM 0 HH21 ARG A2653 -18.548 1.558 5.118 1.00 0.00 H new ATOM 0 HH22 ARG A2653 -18.673 2.868 3.940 1.00 0.00 H new ATOM 403 N ASN A2654 -15.484 -5.557 1.258 1.00 0.00 N ATOM 404 CA ASN A2654 -15.470 -7.002 1.022 1.00 0.00 C ATOM 405 C ASN A2654 -14.232 -7.674 1.615 1.00 0.00 C ATOM 406 O ASN A2654 -14.203 -8.895 1.772 1.00 0.00 O ATOM 407 CB ASN A2654 -15.580 -7.319 -0.476 1.00 0.00 C ATOM 408 CG ASN A2654 -14.955 -6.259 -1.363 1.00 0.00 C ATOM 409 OD1 ASN A2654 -15.567 -5.228 -1.644 1.00 0.00 O ATOM 410 ND2 ASN A2654 -13.733 -6.509 -1.806 1.00 0.00 N ATOM 0 H ASN A2654 -15.120 -4.997 0.487 1.00 0.00 H new ATOM 0 HA ASN A2654 -16.342 -7.410 1.533 1.00 0.00 H new ATOM 0 HB2 ASN A2654 -15.099 -8.277 -0.673 1.00 0.00 H new ATOM 0 HB3 ASN A2654 -16.632 -7.430 -0.740 1.00 0.00 H new ATOM 0 HD21 ASN A2654 -13.260 -5.833 -2.406 1.00 0.00 H new ATOM 0 HD22 ASN A2654 -13.264 -7.377 -1.547 1.00 0.00 H new ATOM 417 N GLY A2655 -13.217 -6.886 1.958 1.00 0.00 N ATOM 418 CA GLY A2655 -12.012 -7.449 2.546 1.00 0.00 C ATOM 419 C GLY A2655 -11.064 -8.065 1.529 1.00 0.00 C ATOM 420 O GLY A2655 -10.063 -8.675 1.905 1.00 0.00 O ATOM 0 H GLY A2655 -13.206 -5.873 1.841 1.00 0.00 H new ATOM 0 HA2 GLY A2655 -11.486 -6.666 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A2655 -12.295 -8.210 3.273 1.00 0.00 H new ATOM 424 N LYS A2656 -11.366 -7.910 0.242 1.00 0.00 N ATOM 425 CA LYS A2656 -10.516 -8.460 -0.812 1.00 0.00 C ATOM 426 C LYS A2656 -9.072 -8.009 -0.636 1.00 0.00 C ATOM 427 O LYS A2656 -8.784 -6.817 -0.656 1.00 0.00 O ATOM 428 CB LYS A2656 -11.017 -8.028 -2.189 1.00 0.00 C ATOM 429 CG LYS A2656 -12.077 -8.948 -2.760 1.00 0.00 C ATOM 430 CD LYS A2656 -11.494 -9.902 -3.791 1.00 0.00 C ATOM 431 CE LYS A2656 -12.573 -10.462 -4.704 1.00 0.00 C ATOM 432 NZ LYS A2656 -12.715 -9.662 -5.952 1.00 0.00 N ATOM 0 H LYS A2656 -12.189 -7.411 -0.095 1.00 0.00 H new ATOM 0 HA LYS A2656 -10.560 -9.547 -0.738 1.00 0.00 H new ATOM 0 HB2 LYS A2656 -11.422 -7.018 -2.120 1.00 0.00 H new ATOM 0 HB3 LYS A2656 -10.173 -7.987 -2.878 1.00 0.00 H new ATOM 0 HG2 LYS A2656 -12.536 -9.519 -1.953 1.00 0.00 H new ATOM 0 HG3 LYS A2656 -12.867 -8.353 -3.219 1.00 0.00 H new ATOM 0 HD2 LYS A2656 -10.745 -9.381 -4.388 1.00 0.00 H new ATOM 0 HD3 LYS A2656 -10.984 -10.721 -3.283 1.00 0.00 H new ATOM 0 HE2 LYS A2656 -12.332 -11.494 -4.960 1.00 0.00 H new ATOM 0 HE3 LYS A2656 -13.525 -10.479 -4.173 1.00 0.00 H new ATOM 0 HZ1 LYS A2656 -13.460 -10.076 -6.547 1.00 0.00 H new ATOM 0 HZ2 LYS A2656 -12.970 -8.683 -5.710 1.00 0.00 H new ATOM 0 HZ3 LYS A2656 -11.814 -9.667 -6.472 1.00 0.00 H new ATOM 446 N LYS A2657 -8.169 -8.967 -0.476 1.00 0.00 N ATOM 447 CA LYS A2657 -6.755 -8.658 -0.304 1.00 0.00 C ATOM 448 C LYS A2657 -5.963 -9.032 -1.550 1.00 0.00 C ATOM 449 O LYS A2657 -6.047 -10.160 -2.036 1.00 0.00 O ATOM 450 CB LYS A2657 -6.193 -9.396 0.913 1.00 0.00 C ATOM 451 CG LYS A2657 -4.944 -8.750 1.492 1.00 0.00 C ATOM 452 CD LYS A2657 -3.895 -9.789 1.859 1.00 0.00 C ATOM 453 CE LYS A2657 -2.714 -9.756 0.902 1.00 0.00 C ATOM 454 NZ LYS A2657 -1.418 -9.940 1.613 1.00 0.00 N ATOM 0 H LYS A2657 -8.389 -9.963 -0.462 1.00 0.00 H new ATOM 0 HA LYS A2657 -6.660 -7.584 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A2657 -6.960 -9.442 1.686 1.00 0.00 H new ATOM 0 HB3 LYS A2657 -5.963 -10.423 0.631 1.00 0.00 H new ATOM 0 HG2 LYS A2657 -4.526 -8.051 0.768 1.00 0.00 H new ATOM 0 HG3 LYS A2657 -5.210 -8.172 2.377 1.00 0.00 H new ATOM 0 HD2 LYS A2657 -3.545 -9.610 2.876 1.00 0.00 H new ATOM 0 HD3 LYS A2657 -4.346 -10.781 1.847 1.00 0.00 H new ATOM 0 HE2 LYS A2657 -2.832 -10.539 0.153 1.00 0.00 H new ATOM 0 HE3 LYS A2657 -2.704 -8.805 0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A2657 -0.638 -9.911 0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A2657 -1.293 -9.178 2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A2657 -1.417 -10.859 2.100 1.00 0.00 H new ATOM 468 N MET A2658 -5.192 -8.080 -2.062 1.00 0.00 N ATOM 469 CA MET A2658 -4.384 -8.313 -3.252 1.00 0.00 C ATOM 470 C MET A2658 -2.961 -7.810 -3.047 1.00 0.00 C ATOM 471 O MET A2658 -2.700 -6.610 -3.108 1.00 0.00 O ATOM 472 CB MET A2658 -5.003 -7.628 -4.470 1.00 0.00 C ATOM 473 CG MET A2658 -6.525 -7.613 -4.461 1.00 0.00 C ATOM 474 SD MET A2658 -7.221 -6.960 -5.991 1.00 0.00 S ATOM 475 CE MET A2658 -7.100 -5.198 -5.692 1.00 0.00 C ATOM 0 H MET A2658 -5.110 -7.141 -1.672 1.00 0.00 H new ATOM 0 HA MET A2658 -4.355 -9.388 -3.429 1.00 0.00 H new ATOM 0 HB2 MET A2658 -4.639 -6.602 -4.521 1.00 0.00 H new ATOM 0 HB3 MET A2658 -4.660 -8.133 -5.373 1.00 0.00 H new ATOM 0 HG2 MET A2658 -6.894 -8.626 -4.302 1.00 0.00 H new ATOM 0 HG3 MET A2658 -6.874 -7.011 -3.622 1.00 0.00 H new ATOM 0 HE1 MET A2658 -8.088 -4.746 -5.778 1.00 0.00 H new ATOM 0 HE2 MET A2658 -6.708 -5.025 -4.690 1.00 0.00 H new ATOM 0 HE3 MET A2658 -6.431 -4.750 -6.426 1.00 0.00 H new ATOM 526 N ALA A2663 -0.661 -5.865 -7.178 1.00 0.00 N ATOM 527 CA ALA A2663 -0.624 -4.802 -6.183 1.00 0.00 C ATOM 528 C ALA A2663 0.035 -3.545 -6.740 1.00 0.00 C ATOM 529 O ALA A2663 0.953 -3.621 -7.556 1.00 0.00 O ATOM 530 CB ALA A2663 0.102 -5.269 -4.933 1.00 0.00 C ATOM 0 HA ALA A2663 -1.653 -4.555 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA A2663 0.120 -4.462 -4.200 1.00 0.00 H new ATOM 0 HB2 ALA A2663 -0.416 -6.130 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA A2663 1.124 -5.550 -5.189 1.00 0.00 H new ATOM 536 N PRO A2664 -0.432 -2.364 -6.300 1.00 0.00 N ATOM 537 CA PRO A2664 0.108 -1.075 -6.754 1.00 0.00 C ATOM 538 C PRO A2664 1.589 -0.907 -6.417 1.00 0.00 C ATOM 539 O PRO A2664 2.073 -1.464 -5.432 1.00 0.00 O ATOM 540 CB PRO A2664 -0.728 -0.044 -5.985 1.00 0.00 C ATOM 541 CG PRO A2664 -1.306 -0.793 -4.834 1.00 0.00 C ATOM 542 CD PRO A2664 -1.525 -2.190 -5.331 1.00 0.00 C ATOM 0 HA PRO A2664 0.048 -0.975 -7.838 1.00 0.00 H new ATOM 0 HB2 PRO A2664 -0.112 0.788 -5.644 1.00 0.00 H new ATOM 0 HB3 PRO A2664 -1.512 0.377 -6.615 1.00 0.00 H new ATOM 0 HG2 PRO A2664 -0.629 -0.783 -3.980 1.00 0.00 H new ATOM 0 HG3 PRO A2664 -2.242 -0.343 -4.504 1.00 0.00 H new ATOM 0 HD2 PRO A2664 -1.470 -2.920 -4.524 1.00 0.00 H new ATOM 0 HD3 PRO A2664 -2.503 -2.305 -5.799 1.00 0.00 H new ATOM 550 N PRO A2665 2.332 -0.128 -7.227 1.00 0.00 N ATOM 551 CA PRO A2665 3.749 0.112 -7.004 1.00 0.00 C ATOM 552 C PRO A2665 3.993 1.249 -6.019 1.00 0.00 C ATOM 553 O PRO A2665 3.239 2.221 -5.970 1.00 0.00 O ATOM 554 CB PRO A2665 4.288 0.480 -8.393 1.00 0.00 C ATOM 555 CG PRO A2665 3.093 0.643 -9.286 1.00 0.00 C ATOM 556 CD PRO A2665 1.862 0.584 -8.417 1.00 0.00 C ATOM 0 HA PRO A2665 4.240 -0.758 -6.567 1.00 0.00 H new ATOM 0 HB2 PRO A2665 4.870 1.401 -8.352 1.00 0.00 H new ATOM 0 HB3 PRO A2665 4.951 -0.299 -8.770 1.00 0.00 H new ATOM 0 HG2 PRO A2665 3.140 1.593 -9.819 1.00 0.00 H new ATOM 0 HG3 PRO A2665 3.068 -0.144 -10.039 1.00 0.00 H new ATOM 0 HD2 PRO A2665 1.493 1.580 -8.172 1.00 0.00 H new ATOM 0 HD3 PRO A2665 1.046 0.054 -8.908 1.00 0.00 H new ATOM 564 N MET A2666 5.044 1.102 -5.222 1.00 0.00 N ATOM 565 CA MET A2666 5.400 2.093 -4.211 1.00 0.00 C ATOM 566 C MET A2666 5.301 3.525 -4.734 1.00 0.00 C ATOM 567 O MET A2666 4.663 4.371 -4.108 1.00 0.00 O ATOM 568 CB MET A2666 6.814 1.835 -3.691 1.00 0.00 C ATOM 569 CG MET A2666 6.938 1.957 -2.184 1.00 0.00 C ATOM 570 SD MET A2666 5.970 0.717 -1.311 1.00 0.00 S ATOM 571 CE MET A2666 5.220 1.725 -0.038 1.00 0.00 C ATOM 0 H MET A2666 5.671 0.298 -5.256 1.00 0.00 H new ATOM 0 HA MET A2666 4.680 1.988 -3.399 1.00 0.00 H new ATOM 0 HB2 MET A2666 7.127 0.835 -3.993 1.00 0.00 H new ATOM 0 HB3 MET A2666 7.500 2.539 -4.162 1.00 0.00 H new ATOM 0 HG2 MET A2666 7.986 1.861 -1.900 1.00 0.00 H new ATOM 0 HG3 MET A2666 6.613 2.951 -1.875 1.00 0.00 H new ATOM 0 HE1 MET A2666 4.267 1.287 0.258 1.00 0.00 H new ATOM 0 HE2 MET A2666 5.882 1.772 0.827 1.00 0.00 H new ATOM 0 HE3 MET A2666 5.053 2.731 -0.422 1.00 0.00 H new ATOM 581 N LYS A2667 5.961 3.812 -5.857 1.00 0.00 N ATOM 582 CA LYS A2667 5.952 5.173 -6.399 1.00 0.00 C ATOM 583 C LYS A2667 4.649 5.523 -7.126 1.00 0.00 C ATOM 584 O LYS A2667 4.546 6.587 -7.737 1.00 0.00 O ATOM 585 CB LYS A2667 7.155 5.384 -7.322 1.00 0.00 C ATOM 586 CG LYS A2667 6.983 4.805 -8.718 1.00 0.00 C ATOM 587 CD LYS A2667 7.152 5.878 -9.781 1.00 0.00 C ATOM 588 CE LYS A2667 7.957 5.369 -10.968 1.00 0.00 C ATOM 589 NZ LYS A2667 7.139 5.316 -12.212 1.00 0.00 N ATOM 0 H LYS A2667 6.498 3.136 -6.400 1.00 0.00 H new ATOM 0 HA LYS A2667 6.022 5.850 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS A2667 7.350 6.453 -7.406 1.00 0.00 H new ATOM 0 HB3 LYS A2667 8.035 4.935 -6.861 1.00 0.00 H new ATOM 0 HG2 LYS A2667 7.713 4.012 -8.878 1.00 0.00 H new ATOM 0 HG3 LYS A2667 5.996 4.352 -8.808 1.00 0.00 H new ATOM 0 HD2 LYS A2667 6.172 6.211 -10.122 1.00 0.00 H new ATOM 0 HD3 LYS A2667 7.650 6.745 -9.348 1.00 0.00 H new ATOM 0 HE2 LYS A2667 8.818 6.017 -11.127 1.00 0.00 H new ATOM 0 HE3 LYS A2667 8.344 4.375 -10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A2667 7.723 4.964 -12.997 1.00 0.00 H new ATOM 0 HZ2 LYS A2667 6.331 4.677 -12.069 1.00 0.00 H new ATOM 0 HZ3 LYS A2667 6.791 6.269 -12.440 1.00 0.00 H new ATOM 603 N ASP A2668 3.657 4.641 -7.061 1.00 0.00 N ATOM 604 CA ASP A2668 2.376 4.891 -7.720 1.00 0.00 C ATOM 605 C ASP A2668 1.192 4.608 -6.790 1.00 0.00 C ATOM 606 O ASP A2668 0.036 4.750 -7.189 1.00 0.00 O ATOM 607 CB ASP A2668 2.256 4.038 -8.981 1.00 0.00 C ATOM 608 CG ASP A2668 2.978 4.653 -10.166 1.00 0.00 C ATOM 609 OD1 ASP A2668 2.395 4.672 -11.270 1.00 0.00 O ATOM 610 OD2 ASP A2668 4.125 5.113 -9.988 1.00 0.00 O ATOM 0 H ASP A2668 3.712 3.752 -6.563 1.00 0.00 H new ATOM 0 HA ASP A2668 2.347 5.947 -7.988 1.00 0.00 H new ATOM 0 HB2 ASP A2668 2.663 3.046 -8.786 1.00 0.00 H new ATOM 0 HB3 ASP A2668 1.203 3.907 -9.229 1.00 0.00 H new ATOM 615 N LEU A2669 1.482 4.198 -5.558 1.00 0.00 N ATOM 616 CA LEU A2669 0.437 3.885 -4.583 1.00 0.00 C ATOM 617 C LEU A2669 -0.624 4.987 -4.489 1.00 0.00 C ATOM 618 O LEU A2669 -1.816 4.694 -4.444 1.00 0.00 O ATOM 619 CB LEU A2669 1.050 3.644 -3.201 1.00 0.00 C ATOM 620 CG LEU A2669 2.146 2.580 -3.151 1.00 0.00 C ATOM 621 CD1 LEU A2669 2.814 2.570 -1.787 1.00 0.00 C ATOM 622 CD2 LEU A2669 1.573 1.209 -3.478 1.00 0.00 C ATOM 0 H LEU A2669 2.433 4.074 -5.209 1.00 0.00 H new ATOM 0 HA LEU A2669 -0.057 2.978 -4.931 1.00 0.00 H new ATOM 0 HB2 LEU A2669 1.462 4.584 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A2669 0.255 3.356 -2.514 1.00 0.00 H new ATOM 0 HG LEU A2669 2.899 2.824 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A2669 3.592 1.807 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A2669 3.259 3.546 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A2669 2.072 2.350 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A2669 2.367 0.464 -3.438 1.00 0.00 H new ATOM 0 HD22 LEU A2669 0.800 0.955 -2.752 1.00 0.00 H new ATOM 0 HD23 LEU A2669 1.140 1.225 -4.478 1.00 0.00 H new ATOM 634 N PRO A2670 -0.213 6.268 -4.437 1.00 0.00 N ATOM 635 CA PRO A2670 -1.154 7.394 -4.327 1.00 0.00 C ATOM 636 C PRO A2670 -2.094 7.510 -5.524 1.00 0.00 C ATOM 637 O PRO A2670 -3.226 7.990 -5.398 1.00 0.00 O ATOM 638 CB PRO A2670 -0.242 8.627 -4.252 1.00 0.00 C ATOM 639 CG PRO A2670 1.099 8.100 -3.869 1.00 0.00 C ATOM 640 CD PRO A2670 1.186 6.726 -4.466 1.00 0.00 C ATOM 0 HA PRO A2670 -1.811 7.273 -3.466 1.00 0.00 H new ATOM 0 HB2 PRO A2670 -0.202 9.146 -5.210 1.00 0.00 H new ATOM 0 HB3 PRO A2670 -0.608 9.343 -3.516 1.00 0.00 H new ATOM 0 HG2 PRO A2670 1.894 8.742 -4.248 1.00 0.00 H new ATOM 0 HG3 PRO A2670 1.209 8.063 -2.785 1.00 0.00 H new ATOM 0 HD2 PRO A2670 1.583 6.750 -5.481 1.00 0.00 H new ATOM 0 HD3 PRO A2670 1.837 6.073 -3.885 1.00 0.00 H new ATOM 648 N ARG A2671 -1.639 7.034 -6.678 1.00 0.00 N ATOM 649 CA ARG A2671 -2.455 7.069 -7.885 1.00 0.00 C ATOM 650 C ARG A2671 -3.425 5.902 -7.880 1.00 0.00 C ATOM 651 O ARG A2671 -4.630 6.069 -8.078 1.00 0.00 O ATOM 652 CB ARG A2671 -1.571 7.015 -9.131 1.00 0.00 C ATOM 653 CG ARG A2671 -2.182 7.708 -10.340 1.00 0.00 C ATOM 654 CD ARG A2671 -1.137 8.483 -11.126 1.00 0.00 C ATOM 655 NE ARG A2671 -0.497 7.656 -12.146 1.00 0.00 N ATOM 656 CZ ARG A2671 0.596 8.017 -12.814 1.00 0.00 C ATOM 657 NH1 ARG A2671 1.173 9.188 -12.573 1.00 0.00 N ATOM 658 NH2 ARG A2671 1.115 7.205 -13.726 1.00 0.00 N ATOM 0 H ARG A2671 -0.714 6.622 -6.802 1.00 0.00 H new ATOM 0 HA ARG A2671 -3.017 8.003 -7.904 1.00 0.00 H new ATOM 0 HB2 ARG A2671 -0.610 7.477 -8.905 1.00 0.00 H new ATOM 0 HB3 ARG A2671 -1.373 5.973 -9.381 1.00 0.00 H new ATOM 0 HG2 ARG A2671 -2.650 6.966 -10.988 1.00 0.00 H new ATOM 0 HG3 ARG A2671 -2.969 8.387 -10.012 1.00 0.00 H new ATOM 0 HD2 ARG A2671 -1.605 9.346 -11.600 1.00 0.00 H new ATOM 0 HD3 ARG A2671 -0.380 8.867 -10.442 1.00 0.00 H new ATOM 0 HE ARG A2671 -0.912 6.749 -12.359 1.00 0.00 H new ATOM 0 HH11 ARG A2671 0.779 9.816 -11.873 1.00 0.00 H new ATOM 0 HH12 ARG A2671 2.011 9.459 -13.088 1.00 0.00 H new ATOM 0 HH21 ARG A2671 0.676 6.304 -13.915 1.00 0.00 H new ATOM 0 HH22 ARG A2671 1.953 7.482 -14.238 1.00 0.00 H new ATOM 672 N TRP A2672 -2.888 4.718 -7.634 1.00 0.00 N ATOM 673 CA TRP A2672 -3.693 3.514 -7.580 1.00 0.00 C ATOM 674 C TRP A2672 -4.714 3.618 -6.461 1.00 0.00 C ATOM 675 O TRP A2672 -5.857 3.185 -6.606 1.00 0.00 O ATOM 676 CB TRP A2672 -2.796 2.305 -7.363 1.00 0.00 C ATOM 677 CG TRP A2672 -3.525 0.998 -7.344 1.00 0.00 C ATOM 678 CD1 TRP A2672 -3.544 0.062 -8.333 1.00 0.00 C ATOM 679 CD2 TRP A2672 -4.319 0.473 -6.274 1.00 0.00 C ATOM 680 NE1 TRP A2672 -4.293 -1.022 -7.942 1.00 0.00 N ATOM 681 CE2 TRP A2672 -4.780 -0.792 -6.682 1.00 0.00 C ATOM 682 CE3 TRP A2672 -4.683 0.947 -5.010 1.00 0.00 C ATOM 683 CZ2 TRP A2672 -5.581 -1.587 -5.869 1.00 0.00 C ATOM 684 CZ3 TRP A2672 -5.480 0.157 -4.208 1.00 0.00 C ATOM 685 CH2 TRP A2672 -5.919 -1.099 -4.638 1.00 0.00 C ATOM 0 H TRP A2672 -1.893 4.567 -7.468 1.00 0.00 H new ATOM 0 HA TRP A2672 -4.223 3.397 -8.525 1.00 0.00 H new ATOM 0 HB2 TRP A2672 -2.044 2.278 -8.152 1.00 0.00 H new ATOM 0 HB3 TRP A2672 -2.264 2.426 -6.419 1.00 0.00 H new ATOM 0 HD1 TRP A2672 -3.044 0.158 -9.285 1.00 0.00 H new ATOM 0 HE1 TRP A2672 -4.459 -1.860 -8.499 1.00 0.00 H new ATOM 0 HE3 TRP A2672 -4.346 1.914 -4.668 1.00 0.00 H new ATOM 0 HZ2 TRP A2672 -5.924 -2.556 -6.199 1.00 0.00 H new ATOM 0 HZ3 TRP A2672 -5.770 0.515 -3.231 1.00 0.00 H new ATOM 0 HH2 TRP A2672 -6.538 -1.696 -3.984 1.00 0.00 H new ATOM 696 N LEU A2673 -4.303 4.213 -5.344 1.00 0.00 N ATOM 697 CA LEU A2673 -5.205 4.382 -4.222 1.00 0.00 C ATOM 698 C LEU A2673 -6.328 5.324 -4.616 1.00 0.00 C ATOM 699 O LEU A2673 -7.503 4.976 -4.501 1.00 0.00 O ATOM 700 CB LEU A2673 -4.462 4.906 -2.999 1.00 0.00 C ATOM 701 CG LEU A2673 -4.065 3.819 -2.003 1.00 0.00 C ATOM 702 CD1 LEU A2673 -5.302 3.173 -1.397 1.00 0.00 C ATOM 703 CD2 LEU A2673 -3.194 2.769 -2.677 1.00 0.00 C ATOM 0 H LEU A2673 -3.363 4.580 -5.198 1.00 0.00 H new ATOM 0 HA LEU A2673 -5.628 3.413 -3.958 1.00 0.00 H new ATOM 0 HB2 LEU A2673 -3.564 5.429 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A2673 -5.089 5.639 -2.491 1.00 0.00 H new ATOM 0 HG LEU A2673 -3.489 4.282 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A2673 -5.000 2.401 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A2673 -5.891 3.930 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A2673 -5.903 2.725 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU A2673 -2.921 2.003 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A2673 -3.746 2.311 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A2673 -2.291 3.240 -3.065 1.00 0.00 H new ATOM 715 N GLU A2674 -5.977 6.518 -5.103 1.00 0.00 N ATOM 716 CA GLU A2674 -6.995 7.474 -5.523 1.00 0.00 C ATOM 717 C GLU A2674 -7.932 6.825 -6.538 1.00 0.00 C ATOM 718 O GLU A2674 -9.102 7.189 -6.646 1.00 0.00 O ATOM 719 CB GLU A2674 -6.346 8.735 -6.111 1.00 0.00 C ATOM 720 CG GLU A2674 -5.790 8.559 -7.516 1.00 0.00 C ATOM 721 CD GLU A2674 -5.682 9.872 -8.267 1.00 0.00 C ATOM 722 OE1 GLU A2674 -4.688 10.597 -8.053 1.00 0.00 O ATOM 723 OE2 GLU A2674 -6.590 10.174 -9.070 1.00 0.00 O ATOM 0 H GLU A2674 -5.015 6.838 -5.213 1.00 0.00 H new ATOM 0 HA GLU A2674 -7.577 7.772 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU A2674 -7.084 9.537 -6.123 1.00 0.00 H new ATOM 0 HB3 GLU A2674 -5.539 9.055 -5.452 1.00 0.00 H new ATOM 0 HG2 GLU A2674 -4.805 8.095 -7.458 1.00 0.00 H new ATOM 0 HG3 GLU A2674 -6.431 7.877 -8.074 1.00 0.00 H new ATOM 730 N GLU A2675 -7.402 5.843 -7.267 1.00 0.00 N ATOM 731 CA GLU A2675 -8.180 5.118 -8.264 1.00 0.00 C ATOM 732 C GLU A2675 -9.024 4.033 -7.598 1.00 0.00 C ATOM 733 O GLU A2675 -10.062 3.633 -8.125 1.00 0.00 O ATOM 734 CB GLU A2675 -7.252 4.498 -9.311 1.00 0.00 C ATOM 735 CG GLU A2675 -7.248 5.241 -10.636 1.00 0.00 C ATOM 736 CD GLU A2675 -6.414 4.544 -11.693 1.00 0.00 C ATOM 737 OE1 GLU A2675 -5.236 4.238 -11.413 1.00 0.00 O ATOM 738 OE2 GLU A2675 -6.939 4.303 -12.801 1.00 0.00 O ATOM 0 H GLU A2675 -6.434 5.533 -7.183 1.00 0.00 H new ATOM 0 HA GLU A2675 -8.849 5.821 -8.760 1.00 0.00 H new ATOM 0 HB2 GLU A2675 -6.237 4.473 -8.915 1.00 0.00 H new ATOM 0 HB3 GLU A2675 -7.552 3.465 -9.484 1.00 0.00 H new ATOM 0 HG2 GLU A2675 -8.272 5.342 -10.995 1.00 0.00 H new ATOM 0 HG3 GLU A2675 -6.864 6.249 -10.482 1.00 0.00 H new ATOM 745 N ASN A2676 -8.578 3.570 -6.431 1.00 0.00 N ATOM 746 CA ASN A2676 -9.301 2.544 -5.688 1.00 0.00 C ATOM 747 C ASN A2676 -9.748 3.087 -4.331 1.00 0.00 C ATOM 748 O ASN A2676 -9.129 2.806 -3.305 1.00 0.00 O ATOM 749 CB ASN A2676 -8.426 1.303 -5.497 1.00 0.00 C ATOM 750 CG ASN A2676 -8.099 0.616 -6.808 1.00 0.00 C ATOM 751 OD1 ASN A2676 -8.858 -0.226 -7.287 1.00 0.00 O ATOM 752 ND2 ASN A2676 -6.964 0.974 -7.397 1.00 0.00 N ATOM 0 H ASN A2676 -7.720 3.890 -5.982 1.00 0.00 H new ATOM 0 HA ASN A2676 -10.184 2.262 -6.261 1.00 0.00 H new ATOM 0 HB2 ASN A2676 -7.499 1.589 -4.999 1.00 0.00 H new ATOM 0 HB3 ASN A2676 -8.937 0.600 -4.840 1.00 0.00 H new ATOM 0 HD21 ASN A2676 -6.692 0.546 -8.282 1.00 0.00 H new ATOM 0 HD22 ASN A2676 -6.364 1.677 -6.964 1.00 0.00 H new ATOM 759 N PRO A2677 -10.831 3.884 -4.314 1.00 0.00 N ATOM 760 CA PRO A2677 -11.362 4.481 -3.081 1.00 0.00 C ATOM 761 C PRO A2677 -11.863 3.440 -2.085 1.00 0.00 C ATOM 762 O PRO A2677 -11.976 3.717 -0.891 1.00 0.00 O ATOM 763 CB PRO A2677 -12.528 5.348 -3.572 1.00 0.00 C ATOM 764 CG PRO A2677 -12.900 4.781 -4.898 1.00 0.00 C ATOM 765 CD PRO A2677 -11.621 4.272 -5.496 1.00 0.00 C ATOM 0 HA PRO A2677 -10.592 5.035 -2.545 1.00 0.00 H new ATOM 0 HB2 PRO A2677 -13.367 5.310 -2.877 1.00 0.00 H new ATOM 0 HB3 PRO A2677 -12.233 6.394 -3.659 1.00 0.00 H new ATOM 0 HG2 PRO A2677 -13.628 3.977 -4.790 1.00 0.00 H new ATOM 0 HG3 PRO A2677 -13.355 5.540 -5.535 1.00 0.00 H new ATOM 0 HD2 PRO A2677 -11.795 3.425 -6.160 1.00 0.00 H new ATOM 0 HD3 PRO A2677 -11.117 5.039 -6.084 1.00 0.00 H new ATOM 773 N GLU A2678 -12.170 2.246 -2.578 1.00 0.00 N ATOM 774 CA GLU A2678 -12.669 1.174 -1.726 1.00 0.00 C ATOM 775 C GLU A2678 -11.534 0.316 -1.169 1.00 0.00 C ATOM 776 O GLU A2678 -11.777 -0.621 -0.408 1.00 0.00 O ATOM 777 CB GLU A2678 -13.638 0.288 -2.508 1.00 0.00 C ATOM 778 CG GLU A2678 -14.681 1.069 -3.293 1.00 0.00 C ATOM 779 CD GLU A2678 -15.910 1.389 -2.466 1.00 0.00 C ATOM 780 OE1 GLU A2678 -17.022 1.000 -2.882 1.00 0.00 O ATOM 781 OE2 GLU A2678 -15.762 2.029 -1.404 1.00 0.00 O ATOM 0 H GLU A2678 -12.082 1.996 -3.563 1.00 0.00 H new ATOM 0 HA GLU A2678 -13.186 1.639 -0.887 1.00 0.00 H new ATOM 0 HB2 GLU A2678 -13.070 -0.337 -3.197 1.00 0.00 H new ATOM 0 HB3 GLU A2678 -14.145 -0.382 -1.814 1.00 0.00 H new ATOM 0 HG2 GLU A2678 -14.239 1.997 -3.655 1.00 0.00 H new ATOM 0 HG3 GLU A2678 -14.977 0.494 -4.170 1.00 0.00 H new ATOM 788 N PHE A2679 -10.299 0.623 -1.556 1.00 0.00 N ATOM 789 CA PHE A2679 -9.152 -0.147 -1.089 1.00 0.00 C ATOM 790 C PHE A2679 -8.213 0.687 -0.230 1.00 0.00 C ATOM 791 O PHE A2679 -8.198 1.914 -0.306 1.00 0.00 O ATOM 792 CB PHE A2679 -8.384 -0.727 -2.275 1.00 0.00 C ATOM 793 CG PHE A2679 -8.944 -2.031 -2.752 1.00 0.00 C ATOM 794 CD1 PHE A2679 -10.153 -2.071 -3.423 1.00 0.00 C ATOM 795 CD2 PHE A2679 -8.269 -3.216 -2.519 1.00 0.00 C ATOM 796 CE1 PHE A2679 -10.679 -3.270 -3.857 1.00 0.00 C ATOM 797 CE2 PHE A2679 -8.788 -4.420 -2.950 1.00 0.00 C ATOM 798 CZ PHE A2679 -9.995 -4.449 -3.620 1.00 0.00 C ATOM 0 H PHE A2679 -10.069 1.392 -2.186 1.00 0.00 H new ATOM 0 HA PHE A2679 -9.540 -0.956 -0.470 1.00 0.00 H new ATOM 0 HB2 PHE A2679 -8.398 -0.010 -3.096 1.00 0.00 H new ATOM 0 HB3 PHE A2679 -7.341 -0.867 -1.992 1.00 0.00 H new ATOM 0 HD1 PHE A2679 -10.691 -1.153 -3.609 1.00 0.00 H new ATOM 0 HD2 PHE A2679 -7.325 -3.199 -1.994 1.00 0.00 H new ATOM 0 HE1 PHE A2679 -11.623 -3.288 -4.381 1.00 0.00 H new ATOM 0 HE2 PHE A2679 -8.251 -5.338 -2.763 1.00 0.00 H new ATOM 0 HZ PHE A2679 -10.404 -5.390 -3.958 1.00 0.00 H new ATOM 808 N ALA A2680 -7.426 -0.006 0.586 1.00 0.00 N ATOM 809 CA ALA A2680 -6.466 0.639 1.469 1.00 0.00 C ATOM 810 C ALA A2680 -5.190 -0.196 1.562 1.00 0.00 C ATOM 811 O ALA A2680 -5.114 -1.278 0.979 1.00 0.00 O ATOM 812 CB ALA A2680 -7.083 0.863 2.837 1.00 0.00 C ATOM 0 H ALA A2680 -7.436 -1.024 0.653 1.00 0.00 H new ATOM 0 HA ALA A2680 -6.199 1.613 1.058 1.00 0.00 H new ATOM 0 HB1 ALA A2680 -6.356 1.346 3.489 1.00 0.00 H new ATOM 0 HB2 ALA A2680 -7.962 1.500 2.740 1.00 0.00 H new ATOM 0 HB3 ALA A2680 -7.375 -0.096 3.266 1.00 0.00 H new ATOM 818 N VAL A2681 -4.177 0.307 2.269 1.00 0.00 N ATOM 819 CA VAL A2681 -2.906 -0.412 2.387 1.00 0.00 C ATOM 820 C VAL A2681 -2.864 -1.345 3.593 1.00 0.00 C ATOM 821 O VAL A2681 -3.314 -0.990 4.679 1.00 0.00 O ATOM 822 CB VAL A2681 -1.720 0.560 2.500 1.00 0.00 C ATOM 823 CG1 VAL A2681 -0.410 -0.181 2.297 1.00 0.00 C ATOM 824 CG2 VAL A2681 -1.861 1.703 1.505 1.00 0.00 C ATOM 0 H VAL A2681 -4.209 1.199 2.763 1.00 0.00 H new ATOM 0 HA VAL A2681 -2.826 -1.006 1.477 1.00 0.00 H new ATOM 0 HB VAL A2681 -1.718 0.989 3.502 1.00 0.00 H new ATOM 0 HG11 VAL A2681 0.421 0.520 2.380 1.00 0.00 H new ATOM 0 HG12 VAL A2681 -0.309 -0.956 3.057 1.00 0.00 H new ATOM 0 HG13 VAL A2681 -0.401 -0.640 1.308 1.00 0.00 H new ATOM 0 HG21 VAL A2681 -1.011 2.378 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A2681 -1.891 1.302 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A2681 -2.783 2.249 1.706 1.00 0.00 H new ATOM 834 N ALA A2682 -2.311 -2.542 3.390 1.00 0.00 N ATOM 835 CA ALA A2682 -2.204 -3.532 4.460 1.00 0.00 C ATOM 836 C ALA A2682 -1.566 -2.942 5.724 1.00 0.00 C ATOM 837 O ALA A2682 -0.743 -2.029 5.653 1.00 0.00 O ATOM 838 CB ALA A2682 -1.407 -4.735 3.981 1.00 0.00 C ATOM 0 H ALA A2682 -1.931 -2.848 2.494 1.00 0.00 H new ATOM 0 HA ALA A2682 -3.214 -3.848 4.720 1.00 0.00 H new ATOM 0 HB1 ALA A2682 -1.333 -5.466 4.786 1.00 0.00 H new ATOM 0 HB2 ALA A2682 -1.909 -5.186 3.125 1.00 0.00 H new ATOM 0 HB3 ALA A2682 -0.407 -4.416 3.688 1.00 0.00 H new ATOM 844 N PRO A2683 -1.953 -3.470 6.901 1.00 0.00 N ATOM 845 CA PRO A2683 -1.451 -3.022 8.213 1.00 0.00 C ATOM 846 C PRO A2683 0.073 -2.913 8.282 1.00 0.00 C ATOM 847 O PRO A2683 0.611 -1.865 8.627 1.00 0.00 O ATOM 848 CB PRO A2683 -1.951 -4.110 9.181 1.00 0.00 C ATOM 849 CG PRO A2683 -2.435 -5.220 8.308 1.00 0.00 C ATOM 850 CD PRO A2683 -2.926 -4.551 7.060 1.00 0.00 C ATOM 0 HA PRO A2683 -1.805 -2.017 8.444 1.00 0.00 H new ATOM 0 HB2 PRO A2683 -1.151 -4.448 9.840 1.00 0.00 H new ATOM 0 HB3 PRO A2683 -2.751 -3.733 9.818 1.00 0.00 H new ATOM 0 HG2 PRO A2683 -1.634 -5.926 8.088 1.00 0.00 H new ATOM 0 HG3 PRO A2683 -3.232 -5.784 8.793 1.00 0.00 H new ATOM 0 HD2 PRO A2683 -2.928 -5.229 6.206 1.00 0.00 H new ATOM 0 HD3 PRO A2683 -3.943 -4.174 7.171 1.00 0.00 H new ATOM 858 N ASP A2684 0.764 -3.996 7.956 1.00 0.00 N ATOM 859 CA ASP A2684 2.226 -4.006 7.985 1.00 0.00 C ATOM 860 C ASP A2684 2.778 -3.080 6.907 1.00 0.00 C ATOM 861 O ASP A2684 3.911 -2.577 6.994 1.00 0.00 O ATOM 862 CB ASP A2684 2.757 -5.426 7.782 1.00 0.00 C ATOM 863 CG ASP A2684 3.036 -6.133 9.094 1.00 0.00 C ATOM 864 OD1 ASP A2684 4.113 -6.753 9.217 1.00 0.00 O ATOM 865 OD2 ASP A2684 2.178 -6.065 9.999 1.00 0.00 O ATOM 0 H ASP A2684 0.341 -4.878 7.669 1.00 0.00 H new ATOM 0 HA ASP A2684 2.556 -3.649 8.961 1.00 0.00 H new ATOM 0 HB2 ASP A2684 2.032 -6.003 7.209 1.00 0.00 H new ATOM 0 HB3 ASP A2684 3.672 -5.388 7.192 1.00 0.00 H new ATOM 870 N TRP A2685 1.941 -2.799 5.922 1.00 0.00 N ATOM 871 CA TRP A2685 2.313 -1.892 4.866 1.00 0.00 C ATOM 872 C TRP A2685 1.985 -0.472 5.299 1.00 0.00 C ATOM 873 O TRP A2685 2.430 0.494 4.698 1.00 0.00 O ATOM 874 CB TRP A2685 1.632 -2.294 3.563 1.00 0.00 C ATOM 875 CG TRP A2685 2.271 -3.514 2.976 1.00 0.00 C ATOM 876 CD1 TRP A2685 1.896 -4.811 3.177 1.00 0.00 C ATOM 877 CD2 TRP A2685 3.423 -3.555 2.126 1.00 0.00 C ATOM 878 NE1 TRP A2685 2.739 -5.654 2.498 1.00 0.00 N ATOM 879 CE2 TRP A2685 3.684 -4.908 1.843 1.00 0.00 C ATOM 880 CE3 TRP A2685 4.256 -2.578 1.572 1.00 0.00 C ATOM 881 CZ2 TRP A2685 4.742 -5.310 1.032 1.00 0.00 C ATOM 882 CZ3 TRP A2685 5.306 -2.978 0.766 1.00 0.00 C ATOM 883 CH2 TRP A2685 5.541 -4.333 0.503 1.00 0.00 C ATOM 0 H TRP A2685 1.002 -3.189 5.838 1.00 0.00 H new ATOM 0 HA TRP A2685 3.385 -1.939 4.676 1.00 0.00 H new ATOM 0 HB2 TRP A2685 0.575 -2.485 3.746 1.00 0.00 H new ATOM 0 HB3 TRP A2685 1.689 -1.471 2.850 1.00 0.00 H new ATOM 0 HD1 TRP A2685 1.059 -5.127 3.782 1.00 0.00 H new ATOM 0 HE1 TRP A2685 2.673 -6.672 2.483 1.00 0.00 H new ATOM 0 HE3 TRP A2685 4.083 -1.531 1.770 1.00 0.00 H new ATOM 0 HZ2 TRP A2685 4.925 -6.355 0.828 1.00 0.00 H new ATOM 0 HZ3 TRP A2685 5.956 -2.233 0.332 1.00 0.00 H new ATOM 0 HH2 TRP A2685 6.370 -4.613 -0.130 1.00 0.00 H new ATOM 894 N THR A2686 1.254 -0.367 6.405 1.00 0.00 N ATOM 895 CA THR A2686 0.929 0.915 6.991 1.00 0.00 C ATOM 896 C THR A2686 2.231 1.568 7.415 1.00 0.00 C ATOM 897 O THR A2686 2.519 2.717 7.075 1.00 0.00 O ATOM 898 CB THR A2686 0.037 0.716 8.216 1.00 0.00 C ATOM 899 OG1 THR A2686 -1.042 -0.146 7.916 1.00 0.00 O ATOM 900 CG2 THR A2686 -0.530 1.999 8.775 1.00 0.00 C ATOM 0 H THR A2686 0.876 -1.167 6.912 1.00 0.00 H new ATOM 0 HA THR A2686 0.398 1.538 6.272 1.00 0.00 H new ATOM 0 HB THR A2686 0.690 0.281 8.973 1.00 0.00 H new ATOM 0 HG1 THR A2686 -1.814 0.091 8.471 1.00 0.00 H new ATOM 0 HG21 THR A2686 -1.152 1.775 9.642 1.00 0.00 H new ATOM 0 HG22 THR A2686 0.286 2.657 9.074 1.00 0.00 H new ATOM 0 HG23 THR A2686 -1.134 2.492 8.013 1.00 0.00 H new ATOM 908 N ASP A2687 3.028 0.792 8.149 1.00 0.00 N ATOM 909 CA ASP A2687 4.322 1.248 8.618 1.00 0.00 C ATOM 910 C ASP A2687 5.301 1.318 7.455 1.00 0.00 C ATOM 911 O ASP A2687 5.948 2.345 7.250 1.00 0.00 O ATOM 912 CB ASP A2687 4.856 0.314 9.707 1.00 0.00 C ATOM 913 CG ASP A2687 4.700 0.898 11.096 1.00 0.00 C ATOM 914 OD1 ASP A2687 3.547 1.034 11.558 1.00 0.00 O ATOM 915 OD2 ASP A2687 5.730 1.221 11.725 1.00 0.00 O ATOM 0 H ASP A2687 2.792 -0.160 8.429 1.00 0.00 H new ATOM 0 HA ASP A2687 4.209 2.245 9.045 1.00 0.00 H new ATOM 0 HB2 ASP A2687 4.329 -0.639 9.655 1.00 0.00 H new ATOM 0 HB3 ASP A2687 5.909 0.106 9.519 1.00 0.00 H new ATOM 920 N ILE A2688 5.413 0.232 6.678 1.00 0.00 N ATOM 921 CA ILE A2688 6.328 0.231 5.539 1.00 0.00 C ATOM 922 C ILE A2688 6.028 1.408 4.604 1.00 0.00 C ATOM 923 O ILE A2688 6.890 2.256 4.352 1.00 0.00 O ATOM 924 CB ILE A2688 6.240 -1.095 4.749 1.00 0.00 C ATOM 925 CG1 ILE A2688 6.621 -2.275 5.648 1.00 0.00 C ATOM 926 CG2 ILE A2688 7.141 -1.053 3.525 1.00 0.00 C ATOM 927 CD1 ILE A2688 6.476 -3.625 4.973 1.00 0.00 C ATOM 0 H ILE A2688 4.894 -0.635 6.815 1.00 0.00 H new ATOM 0 HA ILE A2688 7.340 0.334 5.932 1.00 0.00 H new ATOM 0 HB ILE A2688 5.211 -1.227 4.414 1.00 0.00 H new ATOM 0 HG12 ILE A2688 7.653 -2.152 5.977 1.00 0.00 H new ATOM 0 HG13 ILE A2688 5.997 -2.256 6.542 1.00 0.00 H new ATOM 0 HG21 ILE A2688 7.064 -1.996 2.984 1.00 0.00 H new ATOM 0 HG22 ILE A2688 6.833 -0.235 2.874 1.00 0.00 H new ATOM 0 HG23 ILE A2688 8.173 -0.898 3.838 1.00 0.00 H new ATOM 0 HD11 ILE A2688 6.763 -4.413 5.669 1.00 0.00 H new ATOM 0 HD12 ILE A2688 5.440 -3.770 4.668 1.00 0.00 H new ATOM 0 HD13 ILE A2688 7.121 -3.664 4.095 1.00 0.00 H new ATOM 939 N VAL A2689 4.796 1.463 4.107 1.00 0.00 N ATOM 940 CA VAL A2689 4.374 2.540 3.217 1.00 0.00 C ATOM 941 C VAL A2689 4.621 3.897 3.864 1.00 0.00 C ATOM 942 O VAL A2689 5.064 4.837 3.206 1.00 0.00 O ATOM 943 CB VAL A2689 2.885 2.408 2.833 1.00 0.00 C ATOM 944 CG1 VAL A2689 2.420 3.609 2.023 1.00 0.00 C ATOM 945 CG2 VAL A2689 2.653 1.117 2.061 1.00 0.00 C ATOM 0 H VAL A2689 4.071 0.773 4.306 1.00 0.00 H new ATOM 0 HA VAL A2689 4.969 2.462 2.307 1.00 0.00 H new ATOM 0 HB VAL A2689 2.297 2.377 3.750 1.00 0.00 H new ATOM 0 HG11 VAL A2689 1.367 3.489 1.766 1.00 0.00 H new ATOM 0 HG12 VAL A2689 2.549 4.517 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A2689 3.010 3.682 1.110 1.00 0.00 H new ATOM 0 HG21 VAL A2689 1.599 1.036 1.796 1.00 0.00 H new ATOM 0 HG22 VAL A2689 3.256 1.123 1.153 1.00 0.00 H new ATOM 0 HG23 VAL A2689 2.938 0.266 2.680 1.00 0.00 H new ATOM 955 N LYS A2690 4.348 4.003 5.158 1.00 0.00 N ATOM 956 CA LYS A2690 4.573 5.256 5.864 1.00 0.00 C ATOM 957 C LYS A2690 6.002 5.733 5.623 1.00 0.00 C ATOM 958 O LYS A2690 6.231 6.885 5.252 1.00 0.00 O ATOM 959 CB LYS A2690 4.318 5.084 7.364 1.00 0.00 C ATOM 960 CG LYS A2690 2.952 5.584 7.809 1.00 0.00 C ATOM 961 CD LYS A2690 3.044 6.406 9.085 1.00 0.00 C ATOM 962 CE LYS A2690 1.701 6.487 9.794 1.00 0.00 C ATOM 963 NZ LYS A2690 1.837 6.296 11.265 1.00 0.00 N ATOM 0 H LYS A2690 3.976 3.247 5.733 1.00 0.00 H new ATOM 0 HA LYS A2690 3.877 6.003 5.483 1.00 0.00 H new ATOM 0 HB2 LYS A2690 4.411 4.029 7.622 1.00 0.00 H new ATOM 0 HB3 LYS A2690 5.090 5.617 7.919 1.00 0.00 H new ATOM 0 HG2 LYS A2690 2.510 6.189 7.017 1.00 0.00 H new ATOM 0 HG3 LYS A2690 2.288 4.735 7.970 1.00 0.00 H new ATOM 0 HD2 LYS A2690 3.783 5.962 9.752 1.00 0.00 H new ATOM 0 HD3 LYS A2690 3.392 7.411 8.847 1.00 0.00 H new ATOM 0 HE2 LYS A2690 1.243 7.456 9.595 1.00 0.00 H new ATOM 0 HE3 LYS A2690 1.031 5.728 9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A2690 0.900 6.358 11.711 1.00 0.00 H new ATOM 0 HZ2 LYS A2690 2.250 5.361 11.457 1.00 0.00 H new ATOM 0 HZ3 LYS A2690 2.456 7.035 11.655 1.00 0.00 H new ATOM 977 N GLN A2691 6.959 4.822 5.798 1.00 0.00 N ATOM 978 CA GLN A2691 8.368 5.118 5.566 1.00 0.00 C ATOM 979 C GLN A2691 8.687 5.188 4.068 1.00 0.00 C ATOM 980 O GLN A2691 9.742 5.690 3.675 1.00 0.00 O ATOM 981 CB GLN A2691 9.247 4.057 6.232 1.00 0.00 C ATOM 982 CG GLN A2691 9.381 4.234 7.735 1.00 0.00 C ATOM 983 CD GLN A2691 9.765 2.947 8.440 1.00 0.00 C ATOM 984 OE1 GLN A2691 10.891 2.796 8.911 1.00 0.00 O ATOM 985 NE2 GLN A2691 8.825 2.011 8.515 1.00 0.00 N ATOM 0 H GLN A2691 6.779 3.865 6.102 1.00 0.00 H new ATOM 0 HA GLN A2691 8.579 6.093 6.005 1.00 0.00 H new ATOM 0 HB2 GLN A2691 8.830 3.071 6.026 1.00 0.00 H new ATOM 0 HB3 GLN A2691 10.239 4.084 5.781 1.00 0.00 H new ATOM 0 HG2 GLN A2691 10.132 4.996 7.942 1.00 0.00 H new ATOM 0 HG3 GLN A2691 8.437 4.599 8.140 1.00 0.00 H new ATOM 0 HE21 GLN A2691 7.904 2.179 8.110 1.00 0.00 H new ATOM 0 HE22 GLN A2691 9.024 1.124 8.978 1.00 0.00 H new ATOM 994 N SER A2692 7.777 4.668 3.240 1.00 0.00 N ATOM 995 CA SER A2692 7.959 4.651 1.786 1.00 0.00 C ATOM 996 C SER A2692 8.533 5.959 1.260 1.00 0.00 C ATOM 997 O SER A2692 9.312 5.965 0.308 1.00 0.00 O ATOM 998 CB SER A2692 6.622 4.368 1.082 1.00 0.00 C ATOM 999 OG SER A2692 5.964 5.574 0.685 1.00 0.00 O ATOM 0 H SER A2692 6.901 4.251 3.555 1.00 0.00 H new ATOM 0 HA SER A2692 8.673 3.856 1.568 1.00 0.00 H new ATOM 0 HB2 SER A2692 6.798 3.745 0.205 1.00 0.00 H new ATOM 0 HB3 SER A2692 5.972 3.803 1.750 1.00 0.00 H new ATOM 0 HG SER A2692 5.360 5.868 1.399 1.00 0.00 H new ATOM 1005 N GLY A2693 8.130 7.065 1.866 1.00 0.00 N ATOM 1006 CA GLY A2693 8.603 8.355 1.414 1.00 0.00 C ATOM 1007 C GLY A2693 7.939 8.777 0.113 1.00 0.00 C ATOM 1008 O GLY A2693 8.146 9.895 -0.360 1.00 0.00 O ATOM 0 H GLY A2693 7.488 7.092 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A2693 8.406 9.103 2.182 1.00 0.00 H new ATOM 0 HA3 GLY A2693 9.683 8.317 1.275 1.00 0.00 H new ATOM 1012 N PHE A2694 7.129 7.882 -0.464 1.00 0.00 N ATOM 1013 CA PHE A2694 6.430 8.178 -1.706 1.00 0.00 C ATOM 1014 C PHE A2694 5.039 8.682 -1.416 1.00 0.00 C ATOM 1015 O PHE A2694 4.616 9.704 -1.957 1.00 0.00 O ATOM 1016 CB PHE A2694 6.343 6.938 -2.595 1.00 0.00 C ATOM 1017 CG PHE A2694 7.650 6.233 -2.746 1.00 0.00 C ATOM 1018 CD1 PHE A2694 8.558 6.628 -3.714 1.00 0.00 C ATOM 1019 CD2 PHE A2694 7.976 5.187 -1.905 1.00 0.00 C ATOM 1020 CE1 PHE A2694 9.775 5.991 -3.836 1.00 0.00 C ATOM 1021 CE2 PHE A2694 9.189 4.542 -2.025 1.00 0.00 C ATOM 1022 CZ PHE A2694 10.091 4.947 -2.990 1.00 0.00 C ATOM 0 H PHE A2694 6.946 6.952 -0.087 1.00 0.00 H new ATOM 0 HA PHE A2694 6.995 8.948 -2.231 1.00 0.00 H new ATOM 0 HB2 PHE A2694 5.611 6.248 -2.175 1.00 0.00 H new ATOM 0 HB3 PHE A2694 5.978 7.229 -3.580 1.00 0.00 H new ATOM 0 HD1 PHE A2694 8.311 7.442 -4.379 1.00 0.00 H new ATOM 0 HD2 PHE A2694 7.275 4.871 -1.147 1.00 0.00 H new ATOM 0 HE1 PHE A2694 10.479 6.308 -4.591 1.00 0.00 H new ATOM 0 HE2 PHE A2694 9.433 3.722 -1.366 1.00 0.00 H new ATOM 0 HZ PHE A2694 11.044 4.447 -3.082 1.00 0.00 H new ATOM 1032 N VAL A2695 4.311 7.958 -0.577 1.00 0.00 N ATOM 1033 CA VAL A2695 2.946 8.348 -0.247 1.00 0.00 C ATOM 1034 C VAL A2695 2.921 9.453 0.804 1.00 0.00 C ATOM 1035 O VAL A2695 3.654 9.398 1.792 1.00 0.00 O ATOM 1036 CB VAL A2695 2.138 7.144 0.280 1.00 0.00 C ATOM 1037 CG1 VAL A2695 0.650 7.441 0.232 1.00 0.00 C ATOM 1038 CG2 VAL A2695 2.458 5.885 -0.511 1.00 0.00 C ATOM 0 H VAL A2695 4.637 7.108 -0.117 1.00 0.00 H new ATOM 0 HA VAL A2695 2.493 8.718 -1.167 1.00 0.00 H new ATOM 0 HB VAL A2695 2.424 6.972 1.318 1.00 0.00 H new ATOM 0 HG11 VAL A2695 0.095 6.581 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A2695 0.433 8.311 0.851 1.00 0.00 H new ATOM 0 HG13 VAL A2695 0.352 7.644 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A2695 1.875 5.051 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A2695 2.208 6.041 -1.560 1.00 0.00 H new ATOM 0 HG23 VAL A2695 3.521 5.659 -0.421 1.00 0.00 H new ATOM 1048 N PRO A2696 2.070 10.479 0.606 1.00 0.00 N ATOM 1049 CA PRO A2696 1.955 11.600 1.545 1.00 0.00 C ATOM 1050 C PRO A2696 1.370 11.177 2.887 1.00 0.00 C ATOM 1051 O PRO A2696 0.437 10.376 2.946 1.00 0.00 O ATOM 1052 CB PRO A2696 1.011 12.573 0.833 1.00 0.00 C ATOM 1053 CG PRO A2696 0.230 11.727 -0.110 1.00 0.00 C ATOM 1054 CD PRO A2696 1.159 10.629 -0.545 1.00 0.00 C ATOM 0 HA PRO A2696 2.929 12.029 1.782 1.00 0.00 H new ATOM 0 HB2 PRO A2696 0.358 13.080 1.543 1.00 0.00 H new ATOM 0 HB3 PRO A2696 1.567 13.346 0.303 1.00 0.00 H new ATOM 0 HG2 PRO A2696 -0.657 11.319 0.374 1.00 0.00 H new ATOM 0 HG3 PRO A2696 -0.113 12.310 -0.965 1.00 0.00 H new ATOM 0 HD2 PRO A2696 0.620 9.705 -0.754 1.00 0.00 H new ATOM 0 HD3 PRO A2696 1.699 10.895 -1.453 1.00 0.00 H new ATOM 1062 N GLU A2697 1.937 11.713 3.962 1.00 0.00 N ATOM 1063 CA GLU A2697 1.487 11.388 5.311 1.00 0.00 C ATOM 1064 C GLU A2697 -0.021 11.568 5.451 1.00 0.00 C ATOM 1065 O GLU A2697 -0.668 10.873 6.233 1.00 0.00 O ATOM 1066 CB GLU A2697 2.209 12.266 6.333 1.00 0.00 C ATOM 1067 CG GLU A2697 1.887 13.746 6.200 1.00 0.00 C ATOM 1068 CD GLU A2697 3.125 14.619 6.243 1.00 0.00 C ATOM 1069 OE1 GLU A2697 4.202 14.144 5.825 1.00 0.00 O ATOM 1070 OE2 GLU A2697 3.018 15.779 6.697 1.00 0.00 O ATOM 0 H GLU A2697 2.711 12.376 3.925 1.00 0.00 H new ATOM 0 HA GLU A2697 1.725 10.341 5.499 1.00 0.00 H new ATOM 0 HB2 GLU A2697 1.944 11.934 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A2697 3.284 12.126 6.225 1.00 0.00 H new ATOM 0 HG2 GLU A2697 1.360 13.916 5.261 1.00 0.00 H new ATOM 0 HG3 GLU A2697 1.211 14.040 7.003 1.00 0.00 H new ATOM 1077 N SER A2698 -0.576 12.498 4.685 1.00 0.00 N ATOM 1078 CA SER A2698 -2.011 12.757 4.725 1.00 0.00 C ATOM 1079 C SER A2698 -2.797 11.518 4.307 1.00 0.00 C ATOM 1080 O SER A2698 -3.896 11.271 4.805 1.00 0.00 O ATOM 1081 CB SER A2698 -2.363 13.932 3.810 1.00 0.00 C ATOM 1082 OG SER A2698 -1.789 13.767 2.525 1.00 0.00 O ATOM 0 H SER A2698 -0.058 13.084 4.031 1.00 0.00 H new ATOM 0 HA SER A2698 -2.283 13.010 5.750 1.00 0.00 H new ATOM 0 HB2 SER A2698 -3.446 14.015 3.720 1.00 0.00 H new ATOM 0 HB3 SER A2698 -2.008 14.862 4.254 1.00 0.00 H new ATOM 0 HG SER A2698 -2.030 14.530 1.959 1.00 0.00 H new ATOM 1088 N MET A2699 -2.227 10.742 3.390 1.00 0.00 N ATOM 1089 CA MET A2699 -2.873 9.528 2.902 1.00 0.00 C ATOM 1090 C MET A2699 -2.631 8.347 3.842 1.00 0.00 C ATOM 1091 O MET A2699 -3.182 7.265 3.641 1.00 0.00 O ATOM 1092 CB MET A2699 -2.366 9.183 1.502 1.00 0.00 C ATOM 1093 CG MET A2699 -3.264 9.695 0.388 1.00 0.00 C ATOM 1094 SD MET A2699 -2.736 9.134 -1.243 1.00 0.00 S ATOM 1095 CE MET A2699 -3.714 7.644 -1.421 1.00 0.00 C ATOM 0 H MET A2699 -1.318 10.933 2.969 1.00 0.00 H new ATOM 0 HA MET A2699 -3.945 9.719 2.864 1.00 0.00 H new ATOM 0 HB2 MET A2699 -1.367 9.600 1.373 1.00 0.00 H new ATOM 0 HB3 MET A2699 -2.273 8.100 1.414 1.00 0.00 H new ATOM 0 HG2 MET A2699 -4.286 9.363 0.569 1.00 0.00 H new ATOM 0 HG3 MET A2699 -3.275 10.785 0.407 1.00 0.00 H new ATOM 0 HE1 MET A2699 -3.060 6.773 -1.385 1.00 0.00 H new ATOM 0 HE2 MET A2699 -4.440 7.586 -0.610 1.00 0.00 H new ATOM 0 HE3 MET A2699 -4.238 7.665 -2.376 1.00 0.00 H new ATOM 1105 N PHE A2700 -1.811 8.556 4.871 1.00 0.00 N ATOM 1106 CA PHE A2700 -1.517 7.498 5.831 1.00 0.00 C ATOM 1107 C PHE A2700 -2.789 7.019 6.531 1.00 0.00 C ATOM 1108 O PHE A2700 -2.805 5.952 7.143 1.00 0.00 O ATOM 1109 CB PHE A2700 -0.505 7.986 6.874 1.00 0.00 C ATOM 1110 CG PHE A2700 0.900 8.146 6.351 1.00 0.00 C ATOM 1111 CD1 PHE A2700 1.910 8.588 7.193 1.00 0.00 C ATOM 1112 CD2 PHE A2700 1.217 7.856 5.029 1.00 0.00 C ATOM 1113 CE1 PHE A2700 3.203 8.737 6.730 1.00 0.00 C ATOM 1114 CE2 PHE A2700 2.509 8.006 4.563 1.00 0.00 C ATOM 1115 CZ PHE A2700 3.503 8.447 5.414 1.00 0.00 C ATOM 0 H PHE A2700 -1.342 9.442 5.059 1.00 0.00 H new ATOM 0 HA PHE A2700 -1.089 6.660 5.280 1.00 0.00 H new ATOM 0 HB2 PHE A2700 -0.843 8.943 7.271 1.00 0.00 H new ATOM 0 HB3 PHE A2700 -0.492 7.283 7.707 1.00 0.00 H new ATOM 0 HD1 PHE A2700 1.683 8.818 8.223 1.00 0.00 H new ATOM 0 HD2 PHE A2700 0.445 7.509 4.358 1.00 0.00 H new ATOM 0 HE1 PHE A2700 3.979 9.080 7.398 1.00 0.00 H new ATOM 0 HE2 PHE A2700 2.741 7.778 3.533 1.00 0.00 H new ATOM 0 HZ PHE A2700 4.513 8.565 5.051 1.00 0.00 H new