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= -3.5 K(o=-12,f=-19!) USER MOD Set 1.2: A2654 ASN : amide:sc= -8.55 K(o=-12,f=-16!) USER MOD Single : A2639 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2640 THR OG1 : rot 11:sc= -0.295 USER MOD Single : A2642 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A2652 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2656 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2657 LYS NZ :NH3+ -114:sc= -0.761 (180deg=-2.24!) USER MOD Single : A2658 MET CE :methyl -116:sc= -0.744 (180deg=-2.57!) USER MOD Single : A2666 MET CE :methyl 156:sc= -3.83! (180deg=-6.73!) USER MOD Single : A2667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2676 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.4) USER MOD Single : A2686 THR OG1 : rot 59:sc= 0.0508 USER MOD Single : A2690 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2691 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.38) USER MOD Single : A2692 SER OG : rot -90:sc= 0.931 USER MOD Single : A2698 SER OG : rot 180:sc= 0 USER MOD Single : A2699 MET CE :methyl 167:sc= -2.81! (180deg=-2.94!) USER MOD ----------------------------------------------------------------- ATOM 140 N ILE A2638 11.815 -5.097 3.325 1.00 0.00 N ATOM 141 CA ILE A2638 11.217 -3.776 3.242 1.00 0.00 C ATOM 142 C ILE A2638 12.125 -2.733 2.585 1.00 0.00 C ATOM 143 O ILE A2638 11.728 -1.580 2.449 1.00 0.00 O ATOM 144 CB ILE A2638 10.809 -3.274 4.636 1.00 0.00 C ATOM 145 CG1 ILE A2638 12.006 -3.299 5.588 1.00 0.00 C ATOM 146 CG2 ILE A2638 9.666 -4.115 5.187 1.00 0.00 C ATOM 147 CD1 ILE A2638 11.985 -2.183 6.610 1.00 0.00 C ATOM 0 HA ILE A2638 10.339 -3.893 2.607 1.00 0.00 H new ATOM 0 HB ILE A2638 10.467 -2.243 4.547 1.00 0.00 H new ATOM 0 HG12 ILE A2638 12.028 -4.257 6.108 1.00 0.00 H new ATOM 0 HG13 ILE A2638 12.925 -3.231 5.006 1.00 0.00 H new ATOM 0 HG21 ILE A2638 9.388 -3.748 6.175 1.00 0.00 H new ATOM 0 HG22 ILE A2638 8.808 -4.045 4.519 1.00 0.00 H new ATOM 0 HG23 ILE A2638 9.983 -5.155 5.263 1.00 0.00 H new ATOM 0 HD11 ILE A2638 12.862 -2.261 7.252 1.00 0.00 H new ATOM 0 HD12 ILE A2638 11.994 -1.221 6.098 1.00 0.00 H new ATOM 0 HD13 ILE A2638 11.083 -2.262 7.217 1.00 0.00 H new ATOM 159 N ASN A2639 13.340 -3.103 2.191 1.00 0.00 N ATOM 160 CA ASN A2639 14.247 -2.142 1.567 1.00 0.00 C ATOM 161 C ASN A2639 13.915 -1.922 0.087 1.00 0.00 C ATOM 162 O ASN A2639 14.386 -0.961 -0.521 1.00 0.00 O ATOM 163 CB ASN A2639 15.694 -2.617 1.708 1.00 0.00 C ATOM 164 CG ASN A2639 16.161 -2.630 3.150 1.00 0.00 C ATOM 165 OD1 ASN A2639 16.722 -1.650 3.642 1.00 0.00 O ATOM 166 ND2 ASN A2639 15.932 -3.744 3.837 1.00 0.00 N ATOM 0 H ASN A2639 13.716 -4.046 2.290 1.00 0.00 H new ATOM 0 HA ASN A2639 14.121 -1.190 2.082 1.00 0.00 H new ATOM 0 HB2 ASN A2639 15.787 -3.619 1.290 1.00 0.00 H new ATOM 0 HB3 ASN A2639 16.345 -1.967 1.124 1.00 0.00 H new ATOM 0 HD21 ASN A2639 16.224 -3.811 4.812 1.00 0.00 H new ATOM 0 HD22 ASN A2639 15.464 -4.532 3.389 1.00 0.00 H new ATOM 173 N THR A2640 13.122 -2.824 -0.495 1.00 0.00 N ATOM 174 CA THR A2640 12.759 -2.722 -1.913 1.00 0.00 C ATOM 175 C THR A2640 11.643 -1.696 -2.166 1.00 0.00 C ATOM 176 O THR A2640 11.007 -1.692 -3.236 1.00 0.00 O ATOM 177 CB THR A2640 12.358 -4.096 -2.458 1.00 0.00 C ATOM 178 OG1 THR A2640 11.731 -3.974 -3.721 1.00 0.00 O ATOM 179 CG2 THR A2640 11.421 -4.854 -1.549 1.00 0.00 C ATOM 0 H THR A2640 12.721 -3.628 -0.012 1.00 0.00 H new ATOM 0 HA THR A2640 13.641 -2.366 -2.444 1.00 0.00 H new ATOM 0 HB THR A2640 13.290 -4.655 -2.534 1.00 0.00 H new ATOM 0 HG1 THR A2640 11.837 -3.058 -4.052 1.00 0.00 H new ATOM 0 HG21 THR A2640 11.179 -5.818 -1.998 1.00 0.00 H new ATOM 0 HG22 THR A2640 11.901 -5.014 -0.583 1.00 0.00 H new ATOM 0 HG23 THR A2640 10.506 -4.279 -1.409 1.00 0.00 H new ATOM 187 N LEU A2641 11.409 -0.809 -1.197 1.00 0.00 N ATOM 188 CA LEU A2641 10.394 0.216 -1.346 1.00 0.00 C ATOM 189 C LEU A2641 10.957 1.425 -2.077 1.00 0.00 C ATOM 190 O LEU A2641 10.540 2.550 -1.830 1.00 0.00 O ATOM 191 CB LEU A2641 9.868 0.661 0.015 1.00 0.00 C ATOM 192 CG LEU A2641 9.690 -0.444 1.048 1.00 0.00 C ATOM 193 CD1 LEU A2641 9.745 0.143 2.451 1.00 0.00 C ATOM 194 CD2 LEU A2641 8.379 -1.178 0.825 1.00 0.00 C ATOM 0 H LEU A2641 11.909 -0.786 -0.308 1.00 0.00 H new ATOM 0 HA LEU A2641 9.576 -0.212 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A2641 10.551 1.407 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A2641 8.907 1.155 -0.131 1.00 0.00 H new ATOM 0 HG LEU A2641 10.502 -1.162 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A2641 9.617 -0.654 3.184 1.00 0.00 H new ATOM 0 HD12 LEU A2641 10.710 0.627 2.606 1.00 0.00 H new ATOM 0 HD13 LEU A2641 8.948 0.877 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A2641 8.270 -1.964 1.573 1.00 0.00 H new ATOM 0 HD22 LEU A2641 7.550 -0.476 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A2641 8.375 -1.622 -0.171 1.00 0.00 H new ATOM 206 N THR A2642 11.902 1.198 -2.982 1.00 0.00 N ATOM 207 CA THR A2642 12.493 2.290 -3.740 1.00 0.00 C ATOM 208 C THR A2642 11.560 2.723 -4.868 1.00 0.00 C ATOM 209 O THR A2642 11.970 3.434 -5.786 1.00 0.00 O ATOM 210 CB THR A2642 13.847 1.868 -4.314 1.00 0.00 C ATOM 211 OG1 THR A2642 13.924 0.460 -4.437 1.00 0.00 O ATOM 212 CG2 THR A2642 15.022 2.319 -3.472 1.00 0.00 C ATOM 0 H THR A2642 12.272 0.274 -3.206 1.00 0.00 H new ATOM 0 HA THR A2642 12.643 3.134 -3.066 1.00 0.00 H new ATOM 0 HB THR A2642 13.910 2.354 -5.288 1.00 0.00 H new ATOM 0 HG1 THR A2642 14.797 0.211 -4.807 1.00 0.00 H new ATOM 0 HG21 THR A2642 15.951 1.987 -3.936 1.00 0.00 H new ATOM 0 HG22 THR A2642 15.021 3.407 -3.399 1.00 0.00 H new ATOM 0 HG23 THR A2642 14.941 1.889 -2.474 1.00 0.00 H new ATOM 220 N GLY A2643 10.303 2.281 -4.801 1.00 0.00 N ATOM 221 CA GLY A2643 9.340 2.624 -5.824 1.00 0.00 C ATOM 222 C GLY A2643 8.909 1.409 -6.619 1.00 0.00 C ATOM 223 O GLY A2643 7.866 1.429 -7.276 1.00 0.00 O ATOM 0 H GLY A2643 9.940 1.691 -4.053 1.00 0.00 H new ATOM 0 HA2 GLY A2643 8.467 3.085 -5.362 1.00 0.00 H new ATOM 0 HA3 GLY A2643 9.772 3.364 -6.497 1.00 0.00 H new ATOM 227 N GLU A2644 9.731 0.357 -6.565 1.00 0.00 N ATOM 228 CA GLU A2644 9.466 -0.877 -7.295 1.00 0.00 C ATOM 229 C GLU A2644 8.608 -1.866 -6.503 1.00 0.00 C ATOM 230 O GLU A2644 7.865 -2.645 -7.100 1.00 0.00 O ATOM 231 CB GLU A2644 10.787 -1.544 -7.689 1.00 0.00 C ATOM 232 CG GLU A2644 11.224 -1.235 -9.111 1.00 0.00 C ATOM 233 CD GLU A2644 12.422 -0.305 -9.165 1.00 0.00 C ATOM 234 OE1 GLU A2644 13.518 -0.725 -8.739 1.00 0.00 O ATOM 235 OE2 GLU A2644 12.262 0.841 -9.634 1.00 0.00 O ATOM 0 H GLU A2644 10.591 0.340 -6.017 1.00 0.00 H new ATOM 0 HA GLU A2644 8.900 -0.602 -8.185 1.00 0.00 H new ATOM 0 HB2 GLU A2644 11.567 -1.221 -7.000 1.00 0.00 H new ATOM 0 HB3 GLU A2644 10.688 -2.623 -7.575 1.00 0.00 H new ATOM 0 HG2 GLU A2644 11.468 -2.166 -9.622 1.00 0.00 H new ATOM 0 HG3 GLU A2644 10.393 -0.783 -9.652 1.00 0.00 H new ATOM 242 N GLU A2645 8.691 -1.851 -5.169 1.00 0.00 N ATOM 243 CA GLU A2645 7.891 -2.772 -4.361 1.00 0.00 C ATOM 244 C GLU A2645 6.411 -2.745 -4.750 1.00 0.00 C ATOM 245 O GLU A2645 5.870 -1.699 -5.109 1.00 0.00 O ATOM 246 CB GLU A2645 8.031 -2.424 -2.879 1.00 0.00 C ATOM 247 CG GLU A2645 8.926 -3.380 -2.120 1.00 0.00 C ATOM 248 CD GLU A2645 8.284 -4.737 -1.910 1.00 0.00 C ATOM 249 OE1 GLU A2645 7.439 -5.129 -2.742 1.00 0.00 O ATOM 250 OE2 GLU A2645 8.627 -5.408 -0.914 1.00 0.00 O ATOM 0 H GLU A2645 9.292 -1.223 -4.635 1.00 0.00 H new ATOM 0 HA GLU A2645 8.269 -3.777 -4.548 1.00 0.00 H new ATOM 0 HB2 GLU A2645 8.429 -1.414 -2.787 1.00 0.00 H new ATOM 0 HB3 GLU A2645 7.043 -2.420 -2.419 1.00 0.00 H new ATOM 0 HG2 GLU A2645 9.862 -3.505 -2.664 1.00 0.00 H new ATOM 0 HG3 GLU A2645 9.176 -2.947 -1.152 1.00 0.00 H new ATOM 257 N ARG A2646 5.762 -3.904 -4.648 1.00 0.00 N ATOM 258 CA ARG A2646 4.339 -4.027 -4.958 1.00 0.00 C ATOM 259 C ARG A2646 3.537 -4.102 -3.662 1.00 0.00 C ATOM 260 O ARG A2646 3.398 -5.170 -3.066 1.00 0.00 O ATOM 261 CB ARG A2646 4.082 -5.269 -5.815 1.00 0.00 C ATOM 262 CG ARG A2646 4.816 -5.251 -7.147 1.00 0.00 C ATOM 263 CD ARG A2646 4.046 -4.467 -8.197 1.00 0.00 C ATOM 264 NE ARG A2646 4.055 -5.137 -9.496 1.00 0.00 N ATOM 265 CZ ARG A2646 3.267 -4.795 -10.512 1.00 0.00 C ATOM 266 NH1 ARG A2646 2.408 -3.791 -10.387 1.00 0.00 N ATOM 267 NH2 ARG A2646 3.339 -5.459 -11.658 1.00 0.00 N ATOM 0 H ARG A2646 6.202 -4.775 -4.352 1.00 0.00 H new ATOM 0 HA ARG A2646 4.023 -3.151 -5.524 1.00 0.00 H new ATOM 0 HB2 ARG A2646 4.383 -6.155 -5.256 1.00 0.00 H new ATOM 0 HB3 ARG A2646 3.012 -5.357 -6.000 1.00 0.00 H new ATOM 0 HG2 ARG A2646 5.804 -4.809 -7.013 1.00 0.00 H new ATOM 0 HG3 ARG A2646 4.968 -6.273 -7.494 1.00 0.00 H new ATOM 0 HD2 ARG A2646 3.016 -4.332 -7.866 1.00 0.00 H new ATOM 0 HD3 ARG A2646 4.481 -3.473 -8.299 1.00 0.00 H new ATOM 0 HE ARG A2646 4.704 -5.912 -9.632 1.00 0.00 H new ATOM 0 HH11 ARG A2646 2.349 -3.277 -9.508 1.00 0.00 H new ATOM 0 HH12 ARG A2646 1.807 -3.534 -11.170 1.00 0.00 H new ATOM 0 HH21 ARG A2646 3.998 -6.231 -11.760 1.00 0.00 H new ATOM 0 HH22 ARG A2646 2.735 -5.198 -12.438 1.00 0.00 H new ATOM 281 N VAL A2647 3.050 -2.952 -3.213 1.00 0.00 N ATOM 282 CA VAL A2647 2.304 -2.865 -1.962 1.00 0.00 C ATOM 283 C VAL A2647 0.943 -3.564 -2.026 1.00 0.00 C ATOM 284 O VAL A2647 0.141 -3.292 -2.919 1.00 0.00 O ATOM 285 CB VAL A2647 2.088 -1.399 -1.559 1.00 0.00 C ATOM 286 CG1 VAL A2647 1.391 -1.311 -0.212 1.00 0.00 C ATOM 287 CG2 VAL A2647 3.414 -0.654 -1.534 1.00 0.00 C ATOM 0 H VAL A2647 3.159 -2.062 -3.699 1.00 0.00 H new ATOM 0 HA VAL A2647 2.911 -3.379 -1.216 1.00 0.00 H new ATOM 0 HB VAL A2647 1.446 -0.927 -2.302 1.00 0.00 H new ATOM 0 HG11 VAL A2647 1.247 -0.264 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A2647 0.422 -1.807 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A2647 2.003 -1.799 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A2647 3.243 0.383 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A2647 4.082 -1.125 -0.813 1.00 0.00 H new ATOM 0 HG23 VAL A2647 3.868 -0.686 -2.524 1.00 0.00 H new ATOM 297 N PRO A2648 0.658 -4.463 -1.058 1.00 0.00 N ATOM 298 CA PRO A2648 -0.613 -5.188 -0.987 1.00 0.00 C ATOM 299 C PRO A2648 -1.759 -4.300 -0.526 1.00 0.00 C ATOM 300 O PRO A2648 -1.609 -3.502 0.406 1.00 0.00 O ATOM 301 CB PRO A2648 -0.361 -6.293 0.051 1.00 0.00 C ATOM 302 CG PRO A2648 1.101 -6.249 0.342 1.00 0.00 C ATOM 303 CD PRO A2648 1.538 -4.843 0.051 1.00 0.00 C ATOM 0 HA PRO A2648 -0.906 -5.567 -1.966 1.00 0.00 H new ATOM 0 HB2 PRO A2648 -0.945 -6.121 0.955 1.00 0.00 H new ATOM 0 HB3 PRO A2648 -0.654 -7.269 -0.337 1.00 0.00 H new ATOM 0 HG2 PRO A2648 1.300 -6.513 1.381 1.00 0.00 H new ATOM 0 HG3 PRO A2648 1.644 -6.963 -0.278 1.00 0.00 H new ATOM 0 HD2 PRO A2648 1.408 -4.190 0.914 1.00 0.00 H new ATOM 0 HD3 PRO A2648 2.590 -4.795 -0.230 1.00 0.00 H new ATOM 311 N VAL A2649 -2.908 -4.445 -1.174 1.00 0.00 N ATOM 312 CA VAL A2649 -4.081 -3.651 -0.827 1.00 0.00 C ATOM 313 C VAL A2649 -5.269 -4.533 -0.477 1.00 0.00 C ATOM 314 O VAL A2649 -5.521 -5.546 -1.131 1.00 0.00 O ATOM 315 CB VAL A2649 -4.478 -2.704 -1.975 1.00 0.00 C ATOM 316 CG1 VAL A2649 -3.547 -1.502 -2.020 1.00 0.00 C ATOM 317 CG2 VAL A2649 -4.471 -3.441 -3.307 1.00 0.00 C ATOM 0 H VAL A2649 -3.053 -5.103 -1.940 1.00 0.00 H new ATOM 0 HA VAL A2649 -3.809 -3.059 0.047 1.00 0.00 H new ATOM 0 HB VAL A2649 -5.491 -2.346 -1.791 1.00 0.00 H new ATOM 0 HG11 VAL A2649 -3.842 -0.844 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A2649 -3.608 -0.959 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL A2649 -2.523 -1.841 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A2649 -4.754 -2.754 -4.104 1.00 0.00 H new ATOM 0 HG22 VAL A2649 -3.472 -3.831 -3.502 1.00 0.00 H new ATOM 0 HG23 VAL A2649 -5.182 -4.266 -3.270 1.00 0.00 H new ATOM 327 N VAL A2650 -6.001 -4.136 0.557 1.00 0.00 N ATOM 328 CA VAL A2650 -7.171 -4.883 0.998 1.00 0.00 C ATOM 329 C VAL A2650 -8.427 -4.022 0.914 1.00 0.00 C ATOM 330 O VAL A2650 -8.456 -2.902 1.432 1.00 0.00 O ATOM 331 CB VAL A2650 -7.030 -5.406 2.452 1.00 0.00 C ATOM 332 CG1 VAL A2650 -7.095 -6.927 2.491 1.00 0.00 C ATOM 333 CG2 VAL A2650 -5.745 -4.911 3.102 1.00 0.00 C ATOM 0 H VAL A2650 -5.804 -3.299 1.106 1.00 0.00 H new ATOM 0 HA VAL A2650 -7.253 -5.739 0.328 1.00 0.00 H new ATOM 0 HB VAL A2650 -7.868 -5.009 3.024 1.00 0.00 H new ATOM 0 HG11 VAL A2650 -6.994 -7.269 3.521 1.00 0.00 H new ATOM 0 HG12 VAL A2650 -8.052 -7.261 2.090 1.00 0.00 H new ATOM 0 HG13 VAL A2650 -6.286 -7.341 1.890 1.00 0.00 H new ATOM 0 HG21 VAL A2650 -5.680 -5.297 4.119 1.00 0.00 H new ATOM 0 HG22 VAL A2650 -4.888 -5.260 2.526 1.00 0.00 H new ATOM 0 HG23 VAL A2650 -5.746 -3.821 3.127 1.00 0.00 H new ATOM 343 N ASN A2651 -9.467 -4.549 0.275 1.00 0.00 N ATOM 344 CA ASN A2651 -10.725 -3.822 0.157 1.00 0.00 C ATOM 345 C ASN A2651 -11.358 -3.675 1.532 1.00 0.00 C ATOM 346 O ASN A2651 -11.465 -4.642 2.285 1.00 0.00 O ATOM 347 CB ASN A2651 -11.695 -4.530 -0.789 1.00 0.00 C ATOM 348 CG ASN A2651 -12.942 -3.705 -1.049 1.00 0.00 C ATOM 349 OD1 ASN A2651 -13.625 -3.288 -0.119 1.00 0.00 O ATOM 350 ND2 ASN A2651 -13.246 -3.465 -2.318 1.00 0.00 N ATOM 0 H ASN A2651 -9.464 -5.469 -0.165 1.00 0.00 H new ATOM 0 HA ASN A2651 -10.511 -2.838 -0.260 1.00 0.00 H new ATOM 0 HB2 ASN A2651 -11.193 -4.736 -1.735 1.00 0.00 H new ATOM 0 HB3 ASN A2651 -11.979 -5.492 -0.363 1.00 0.00 H new ATOM 0 HD21 ASN A2651 -14.074 -2.916 -2.549 1.00 0.00 H new ATOM 0 HD22 ASN A2651 -12.652 -3.830 -3.063 1.00 0.00 H new ATOM 357 N LYS A2652 -11.745 -2.457 1.862 1.00 0.00 N ATOM 358 CA LYS A2652 -12.335 -2.167 3.161 1.00 0.00 C ATOM 359 C LYS A2652 -13.707 -2.817 3.337 1.00 0.00 C ATOM 360 O LYS A2652 -14.130 -3.078 4.464 1.00 0.00 O ATOM 361 CB LYS A2652 -12.447 -0.654 3.352 1.00 0.00 C ATOM 362 CG LYS A2652 -11.218 0.112 2.882 1.00 0.00 C ATOM 363 CD LYS A2652 -10.433 0.683 4.055 1.00 0.00 C ATOM 364 CE LYS A2652 -10.528 2.199 4.106 1.00 0.00 C ATOM 365 NZ LYS A2652 -9.532 2.787 5.045 1.00 0.00 N ATOM 0 H LYS A2652 -11.662 -1.647 1.247 1.00 0.00 H new ATOM 0 HA LYS A2652 -11.677 -2.591 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A2652 -13.320 -0.291 2.810 1.00 0.00 H new ATOM 0 HB3 LYS A2652 -12.616 -0.441 4.408 1.00 0.00 H new ATOM 0 HG2 LYS A2652 -10.576 -0.550 2.301 1.00 0.00 H new ATOM 0 HG3 LYS A2652 -11.524 0.922 2.219 1.00 0.00 H new ATOM 0 HD2 LYS A2652 -10.812 0.262 4.986 1.00 0.00 H new ATOM 0 HD3 LYS A2652 -9.387 0.386 3.973 1.00 0.00 H new ATOM 0 HE2 LYS A2652 -10.370 2.606 3.107 1.00 0.00 H new ATOM 0 HE3 LYS A2652 -11.533 2.490 4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A2652 -9.629 3.822 5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A2652 -9.698 2.418 6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A2652 -8.572 2.531 4.737 1.00 0.00 H new ATOM 379 N ARG A2653 -14.417 -3.052 2.237 1.00 0.00 N ATOM 380 CA ARG A2653 -15.753 -3.639 2.307 1.00 0.00 C ATOM 381 C ARG A2653 -15.755 -5.149 2.056 1.00 0.00 C ATOM 382 O ARG A2653 -16.191 -5.923 2.909 1.00 0.00 O ATOM 383 CB ARG A2653 -16.669 -2.955 1.290 1.00 0.00 C ATOM 384 CG ARG A2653 -18.099 -3.476 1.315 1.00 0.00 C ATOM 385 CD ARG A2653 -19.063 -2.499 0.658 1.00 0.00 C ATOM 386 NE ARG A2653 -19.557 -2.995 -0.625 1.00 0.00 N ATOM 387 CZ ARG A2653 -20.663 -2.549 -1.217 1.00 0.00 C ATOM 388 NH1 ARG A2653 -21.391 -1.597 -0.648 1.00 0.00 N ATOM 389 NH2 ARG A2653 -21.041 -3.058 -2.381 1.00 0.00 N ATOM 0 H ARG A2653 -14.093 -2.847 1.292 1.00 0.00 H new ATOM 0 HA ARG A2653 -16.117 -3.480 3.322 1.00 0.00 H new ATOM 0 HB2 ARG A2653 -16.678 -1.883 1.484 1.00 0.00 H new ATOM 0 HB3 ARG A2653 -16.257 -3.094 0.290 1.00 0.00 H new ATOM 0 HG2 ARG A2653 -18.146 -4.436 0.801 1.00 0.00 H new ATOM 0 HG3 ARG A2653 -18.405 -3.652 2.346 1.00 0.00 H new ATOM 0 HD2 ARG A2653 -19.906 -2.318 1.325 1.00 0.00 H new ATOM 0 HD3 ARG A2653 -18.563 -1.542 0.508 1.00 0.00 H new ATOM 0 HE ARG A2653 -19.023 -3.726 -1.095 1.00 0.00 H new ATOM 0 HH11 ARG A2653 -21.104 -1.203 0.248 1.00 0.00 H new ATOM 0 HH12 ARG A2653 -22.237 -1.259 -1.106 1.00 0.00 H new ATOM 0 HH21 ARG A2653 -20.485 -3.790 -2.822 1.00 0.00 H new ATOM 0 HH22 ARG A2653 -21.888 -2.717 -2.836 1.00 0.00 H new ATOM 403 N ASN A2654 -15.307 -5.564 0.873 1.00 0.00 N ATOM 404 CA ASN A2654 -15.306 -6.987 0.519 1.00 0.00 C ATOM 405 C ASN A2654 -14.074 -7.727 1.039 1.00 0.00 C ATOM 406 O ASN A2654 -14.048 -8.958 1.043 1.00 0.00 O ATOM 407 CB ASN A2654 -15.433 -7.179 -0.998 1.00 0.00 C ATOM 408 CG ASN A2654 -14.721 -6.106 -1.799 1.00 0.00 C ATOM 409 OD1 ASN A2654 -15.248 -5.011 -1.996 1.00 0.00 O ATOM 410 ND2 ASN A2654 -13.521 -6.419 -2.268 1.00 0.00 N ATOM 0 H ASN A2654 -14.943 -4.945 0.148 1.00 0.00 H new ATOM 0 HA ASN A2654 -16.177 -7.422 1.009 1.00 0.00 H new ATOM 0 HB2 ASN A2654 -15.028 -8.154 -1.269 1.00 0.00 H new ATOM 0 HB3 ASN A2654 -16.489 -7.185 -1.270 1.00 0.00 H new ATOM 0 HD21 ASN A2654 -12.995 -5.739 -2.817 1.00 0.00 H new ATOM 0 HD22 ASN A2654 -13.124 -7.339 -2.079 1.00 0.00 H new ATOM 417 N GLY A2655 -13.064 -6.991 1.494 1.00 0.00 N ATOM 418 CA GLY A2655 -11.871 -7.633 2.023 1.00 0.00 C ATOM 419 C GLY A2655 -10.895 -8.101 0.955 1.00 0.00 C ATOM 420 O GLY A2655 -9.895 -8.745 1.271 1.00 0.00 O ATOM 0 H GLY A2655 -13.048 -5.971 1.507 1.00 0.00 H new ATOM 0 HA2 GLY A2655 -11.360 -6.936 2.687 1.00 0.00 H new ATOM 0 HA3 GLY A2655 -12.170 -8.489 2.628 1.00 0.00 H new ATOM 424 N LYS A2656 -11.172 -7.783 -0.309 1.00 0.00 N ATOM 425 CA LYS A2656 -10.293 -8.186 -1.408 1.00 0.00 C ATOM 426 C LYS A2656 -8.838 -7.872 -1.076 1.00 0.00 C ATOM 427 O LYS A2656 -8.463 -6.714 -0.936 1.00 0.00 O ATOM 428 CB LYS A2656 -10.690 -7.471 -2.701 1.00 0.00 C ATOM 429 CG LYS A2656 -11.566 -8.310 -3.613 1.00 0.00 C ATOM 430 CD LYS A2656 -10.794 -8.815 -4.822 1.00 0.00 C ATOM 431 CE LYS A2656 -11.725 -9.358 -5.894 1.00 0.00 C ATOM 432 NZ LYS A2656 -10.974 -9.914 -7.053 1.00 0.00 N ATOM 0 H LYS A2656 -11.993 -7.251 -0.597 1.00 0.00 H new ATOM 0 HA LYS A2656 -10.400 -9.262 -1.548 1.00 0.00 H new ATOM 0 HB2 LYS A2656 -11.217 -6.550 -2.450 1.00 0.00 H new ATOM 0 HB3 LYS A2656 -9.787 -7.185 -3.240 1.00 0.00 H new ATOM 0 HG2 LYS A2656 -11.966 -9.157 -3.056 1.00 0.00 H new ATOM 0 HG3 LYS A2656 -12.418 -7.717 -3.946 1.00 0.00 H new ATOM 0 HD2 LYS A2656 -10.195 -8.004 -5.236 1.00 0.00 H new ATOM 0 HD3 LYS A2656 -10.101 -9.597 -4.511 1.00 0.00 H new ATOM 0 HE2 LYS A2656 -12.358 -10.135 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A2656 -12.386 -8.562 -6.238 1.00 0.00 H new ATOM 0 HZ1 LYS A2656 -11.645 -10.274 -7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A2656 -10.389 -9.167 -7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A2656 -10.362 -10.691 -6.730 1.00 0.00 H new ATOM 446 N LYS A2657 -8.021 -8.912 -0.961 1.00 0.00 N ATOM 447 CA LYS A2657 -6.607 -8.741 -0.649 1.00 0.00 C ATOM 448 C LYS A2657 -5.739 -9.109 -1.844 1.00 0.00 C ATOM 449 O LYS A2657 -5.945 -10.143 -2.480 1.00 0.00 O ATOM 450 CB LYS A2657 -6.220 -9.598 0.557 1.00 0.00 C ATOM 451 CG LYS A2657 -4.896 -9.196 1.189 1.00 0.00 C ATOM 452 CD LYS A2657 -3.876 -10.322 1.119 1.00 0.00 C ATOM 453 CE LYS A2657 -4.316 -11.524 1.938 1.00 0.00 C ATOM 454 NZ LYS A2657 -4.964 -12.565 1.094 1.00 0.00 N ATOM 0 H LYS A2657 -8.313 -9.882 -1.079 1.00 0.00 H new ATOM 0 HA LYS A2657 -6.440 -7.691 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A2657 -7.007 -9.530 1.308 1.00 0.00 H new ATOM 0 HB3 LYS A2657 -6.164 -10.642 0.248 1.00 0.00 H new ATOM 0 HG2 LYS A2657 -4.502 -8.316 0.681 1.00 0.00 H new ATOM 0 HG3 LYS A2657 -5.059 -8.917 2.230 1.00 0.00 H new ATOM 0 HD2 LYS A2657 -3.733 -10.621 0.081 1.00 0.00 H new ATOM 0 HD3 LYS A2657 -2.913 -9.965 1.484 1.00 0.00 H new ATOM 0 HE2 LYS A2657 -3.452 -11.954 2.445 1.00 0.00 H new ATOM 0 HE3 LYS A2657 -5.011 -11.200 2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A2657 -5.967 -12.650 1.357 1.00 0.00 H new ATOM 0 HZ2 LYS A2657 -4.890 -12.295 0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A2657 -4.488 -13.478 1.242 1.00 0.00 H new ATOM 468 N MET A2658 -4.773 -8.253 -2.151 1.00 0.00 N ATOM 469 CA MET A2658 -3.878 -8.486 -3.277 1.00 0.00 C ATOM 470 C MET A2658 -2.441 -8.116 -2.921 1.00 0.00 C ATOM 471 O MET A2658 -2.125 -6.939 -2.740 1.00 0.00 O ATOM 472 CB MET A2658 -4.340 -7.679 -4.497 1.00 0.00 C ATOM 473 CG MET A2658 -5.829 -7.359 -4.498 1.00 0.00 C ATOM 474 SD MET A2658 -6.406 -6.749 -6.094 1.00 0.00 S ATOM 475 CE MET A2658 -6.978 -5.112 -5.646 1.00 0.00 C ATOM 0 H MET A2658 -4.589 -7.392 -1.637 1.00 0.00 H new ATOM 0 HA MET A2658 -3.908 -9.549 -3.518 1.00 0.00 H new ATOM 0 HB2 MET A2658 -3.778 -6.746 -4.537 1.00 0.00 H new ATOM 0 HB3 MET A2658 -4.098 -8.236 -5.402 1.00 0.00 H new ATOM 0 HG2 MET A2658 -6.390 -8.255 -4.231 1.00 0.00 H new ATOM 0 HG3 MET A2658 -6.037 -6.613 -3.731 1.00 0.00 H new ATOM 0 HE1 MET A2658 -8.054 -5.045 -5.809 1.00 0.00 H new ATOM 0 HE2 MET A2658 -6.758 -4.925 -4.595 1.00 0.00 H new ATOM 0 HE3 MET A2658 -6.471 -4.368 -6.261 1.00 0.00 H new ATOM 526 N ALA A2663 -1.622 -5.723 -6.923 1.00 0.00 N ATOM 527 CA ALA A2663 -1.541 -4.567 -6.041 1.00 0.00 C ATOM 528 C ALA A2663 -0.679 -3.451 -6.632 1.00 0.00 C ATOM 529 O ALA A2663 0.124 -3.677 -7.537 1.00 0.00 O ATOM 530 CB ALA A2663 -1.016 -4.986 -4.685 1.00 0.00 C ATOM 0 HA ALA A2663 -2.548 -4.166 -5.928 1.00 0.00 H new ATOM 0 HB1 ALA A2663 -0.959 -4.115 -4.032 1.00 0.00 H new ATOM 0 HB2 ALA A2663 -1.688 -5.724 -4.247 1.00 0.00 H new ATOM 0 HB3 ALA A2663 -0.023 -5.421 -4.798 1.00 0.00 H new ATOM 536 N PRO A2664 -0.863 -2.220 -6.124 1.00 0.00 N ATOM 537 CA PRO A2664 -0.132 -1.030 -6.595 1.00 0.00 C ATOM 538 C PRO A2664 1.336 -0.981 -6.162 1.00 0.00 C ATOM 539 O PRO A2664 1.715 -1.528 -5.122 1.00 0.00 O ATOM 540 CB PRO A2664 -0.900 0.118 -5.944 1.00 0.00 C ATOM 541 CG PRO A2664 -1.469 -0.473 -4.703 1.00 0.00 C ATOM 542 CD PRO A2664 -1.831 -1.883 -5.062 1.00 0.00 C ATOM 0 HA PRO A2664 -0.089 -1.005 -7.684 1.00 0.00 H new ATOM 0 HB2 PRO A2664 -0.243 0.958 -5.719 1.00 0.00 H new ATOM 0 HB3 PRO A2664 -1.684 0.494 -6.601 1.00 0.00 H new ATOM 0 HG2 PRO A2664 -0.745 -0.449 -3.889 1.00 0.00 H new ATOM 0 HG3 PRO A2664 -2.344 0.084 -4.368 1.00 0.00 H new ATOM 0 HD2 PRO A2664 -1.740 -2.552 -4.207 1.00 0.00 H new ATOM 0 HD3 PRO A2664 -2.859 -1.957 -5.416 1.00 0.00 H new ATOM 550 N PRO A2665 2.183 -0.299 -6.964 1.00 0.00 N ATOM 551 CA PRO A2665 3.607 -0.147 -6.682 1.00 0.00 C ATOM 552 C PRO A2665 3.902 1.080 -5.818 1.00 0.00 C ATOM 553 O PRO A2665 3.203 2.091 -5.894 1.00 0.00 O ATOM 554 CB PRO A2665 4.197 0.025 -8.077 1.00 0.00 C ATOM 555 CG PRO A2665 3.139 0.747 -8.846 1.00 0.00 C ATOM 556 CD PRO A2665 1.812 0.389 -8.214 1.00 0.00 C ATOM 0 HA PRO A2665 4.016 -0.986 -6.120 1.00 0.00 H new ATOM 0 HB2 PRO A2665 5.125 0.596 -8.047 1.00 0.00 H new ATOM 0 HB3 PRO A2665 4.430 -0.938 -8.531 1.00 0.00 H new ATOM 0 HG2 PRO A2665 3.304 1.824 -8.812 1.00 0.00 H new ATOM 0 HG3 PRO A2665 3.158 0.455 -9.896 1.00 0.00 H new ATOM 0 HD2 PRO A2665 1.212 1.277 -8.017 1.00 0.00 H new ATOM 0 HD3 PRO A2665 1.222 -0.257 -8.864 1.00 0.00 H new ATOM 564 N MET A2666 4.928 0.971 -4.981 1.00 0.00 N ATOM 565 CA MET A2666 5.315 2.053 -4.077 1.00 0.00 C ATOM 566 C MET A2666 5.315 3.421 -4.761 1.00 0.00 C ATOM 567 O MET A2666 4.724 4.373 -4.252 1.00 0.00 O ATOM 568 CB MET A2666 6.698 1.784 -3.485 1.00 0.00 C ATOM 569 CG MET A2666 6.776 2.031 -1.990 1.00 0.00 C ATOM 570 SD MET A2666 6.478 0.532 -1.037 1.00 0.00 S ATOM 571 CE MET A2666 5.663 1.203 0.406 1.00 0.00 C ATOM 0 H MET A2666 5.512 0.138 -4.908 1.00 0.00 H new ATOM 0 HA MET A2666 4.567 2.078 -3.285 1.00 0.00 H new ATOM 0 HB2 MET A2666 6.977 0.750 -3.689 1.00 0.00 H new ATOM 0 HB3 MET A2666 7.429 2.417 -3.988 1.00 0.00 H new ATOM 0 HG2 MET A2666 7.759 2.429 -1.740 1.00 0.00 H new ATOM 0 HG3 MET A2666 6.045 2.789 -1.710 1.00 0.00 H new ATOM 0 HE1 MET A2666 5.051 0.430 0.871 1.00 0.00 H new ATOM 0 HE2 MET A2666 6.412 1.551 1.118 1.00 0.00 H new ATOM 0 HE3 MET A2666 5.028 2.038 0.110 1.00 0.00 H new ATOM 581 N LYS A2667 6.011 3.529 -5.890 1.00 0.00 N ATOM 582 CA LYS A2667 6.112 4.805 -6.599 1.00 0.00 C ATOM 583 C LYS A2667 4.783 5.267 -7.217 1.00 0.00 C ATOM 584 O LYS A2667 4.707 6.371 -7.757 1.00 0.00 O ATOM 585 CB LYS A2667 7.200 4.723 -7.673 1.00 0.00 C ATOM 586 CG LYS A2667 6.754 4.059 -8.968 1.00 0.00 C ATOM 587 CD LYS A2667 6.859 5.013 -10.148 1.00 0.00 C ATOM 588 CE LYS A2667 7.870 4.523 -11.172 1.00 0.00 C ATOM 589 NZ LYS A2667 8.755 5.621 -11.651 1.00 0.00 N ATOM 0 H LYS A2667 6.510 2.757 -6.332 1.00 0.00 H new ATOM 0 HA LYS A2667 6.380 5.556 -5.855 1.00 0.00 H new ATOM 0 HB2 LYS A2667 7.550 5.731 -7.897 1.00 0.00 H new ATOM 0 HB3 LYS A2667 8.050 4.173 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A2667 7.367 3.177 -9.156 1.00 0.00 H new ATOM 0 HG3 LYS A2667 5.724 3.716 -8.866 1.00 0.00 H new ATOM 0 HD2 LYS A2667 5.882 5.118 -10.621 1.00 0.00 H new ATOM 0 HD3 LYS A2667 7.149 6.002 -9.793 1.00 0.00 H new ATOM 0 HE2 LYS A2667 8.478 3.733 -10.732 1.00 0.00 H new ATOM 0 HE3 LYS A2667 7.344 4.085 -12.020 1.00 0.00 H new ATOM 0 HZ1 LYS A2667 9.429 5.245 -12.348 1.00 0.00 H new ATOM 0 HZ2 LYS A2667 8.178 6.364 -12.094 1.00 0.00 H new ATOM 0 HZ3 LYS A2667 9.277 6.022 -10.846 1.00 0.00 H new ATOM 603 N ASP A2668 3.743 4.438 -7.148 1.00 0.00 N ATOM 604 CA ASP A2668 2.447 4.810 -7.723 1.00 0.00 C ATOM 605 C ASP A2668 1.299 4.632 -6.725 1.00 0.00 C ATOM 606 O ASP A2668 0.137 4.860 -7.063 1.00 0.00 O ATOM 607 CB ASP A2668 2.170 3.983 -8.979 1.00 0.00 C ATOM 608 CG ASP A2668 1.381 4.755 -10.017 1.00 0.00 C ATOM 609 OD1 ASP A2668 0.133 4.706 -9.973 1.00 0.00 O ATOM 610 OD2 ASP A2668 2.009 5.409 -10.875 1.00 0.00 O ATOM 0 H ASP A2668 3.768 3.518 -6.708 1.00 0.00 H new ATOM 0 HA ASP A2668 2.501 5.868 -7.981 1.00 0.00 H new ATOM 0 HB2 ASP A2668 3.116 3.659 -9.413 1.00 0.00 H new ATOM 0 HB3 ASP A2668 1.620 3.083 -8.704 1.00 0.00 H new ATOM 615 N LEU A2669 1.624 4.217 -5.504 1.00 0.00 N ATOM 616 CA LEU A2669 0.612 4.000 -4.470 1.00 0.00 C ATOM 617 C LEU A2669 -0.411 5.137 -4.385 1.00 0.00 C ATOM 618 O LEU A2669 -1.601 4.881 -4.234 1.00 0.00 O ATOM 619 CB LEU A2669 1.276 3.824 -3.102 1.00 0.00 C ATOM 620 CG LEU A2669 2.136 2.572 -2.949 1.00 0.00 C ATOM 621 CD1 LEU A2669 2.864 2.592 -1.613 1.00 0.00 C ATOM 622 CD2 LEU A2669 1.286 1.320 -3.075 1.00 0.00 C ATOM 0 H LEU A2669 2.580 4.024 -5.205 1.00 0.00 H new ATOM 0 HA LEU A2669 0.077 3.094 -4.753 1.00 0.00 H new ATOM 0 HB2 LEU A2669 1.897 4.697 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A2669 0.498 3.806 -2.339 1.00 0.00 H new ATOM 0 HG LEU A2669 2.877 2.562 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A2669 3.473 1.693 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A2669 3.505 3.472 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A2669 2.136 2.625 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A2669 1.918 0.439 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A2669 0.521 1.320 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A2669 0.808 1.302 -4.054 1.00 0.00 H new ATOM 634 N PRO A2670 0.030 6.406 -4.446 1.00 0.00 N ATOM 635 CA PRO A2670 -0.874 7.563 -4.336 1.00 0.00 C ATOM 636 C PRO A2670 -1.886 7.669 -5.477 1.00 0.00 C ATOM 637 O PRO A2670 -3.024 8.114 -5.277 1.00 0.00 O ATOM 638 CB PRO A2670 0.074 8.771 -4.367 1.00 0.00 C ATOM 639 CG PRO A2670 1.423 8.221 -4.051 1.00 0.00 C ATOM 640 CD PRO A2670 1.433 6.823 -4.592 1.00 0.00 C ATOM 0 HA PRO A2670 -1.483 7.488 -3.435 1.00 0.00 H new ATOM 0 HB2 PRO A2670 0.065 9.253 -5.345 1.00 0.00 H new ATOM 0 HB3 PRO A2670 -0.224 9.524 -3.638 1.00 0.00 H new ATOM 0 HG2 PRO A2670 2.208 8.823 -4.509 1.00 0.00 H new ATOM 0 HG3 PRO A2670 1.605 8.225 -2.976 1.00 0.00 H new ATOM 0 HD2 PRO A2670 1.757 6.794 -5.632 1.00 0.00 H new ATOM 0 HD3 PRO A2670 2.107 6.177 -4.030 1.00 0.00 H new ATOM 648 N ARG A2671 -1.495 7.223 -6.661 1.00 0.00 N ATOM 649 CA ARG A2671 -2.394 7.258 -7.806 1.00 0.00 C ATOM 650 C ARG A2671 -3.418 6.145 -7.686 1.00 0.00 C ATOM 651 O ARG A2671 -4.617 6.352 -7.869 1.00 0.00 O ATOM 652 CB ARG A2671 -1.607 7.119 -9.111 1.00 0.00 C ATOM 653 CG ARG A2671 -2.200 7.913 -10.263 1.00 0.00 C ATOM 654 CD ARG A2671 -2.128 7.144 -11.573 1.00 0.00 C ATOM 655 NE ARG A2671 -2.860 5.880 -11.506 1.00 0.00 N ATOM 656 CZ ARG A2671 -3.487 5.325 -12.543 1.00 0.00 C ATOM 657 NH1 ARG A2671 -3.463 5.907 -13.736 1.00 0.00 N ATOM 658 NH2 ARG A2671 -4.135 4.179 -12.387 1.00 0.00 N ATOM 0 H ARG A2671 -0.571 6.836 -6.854 1.00 0.00 H new ATOM 0 HA ARG A2671 -2.911 8.218 -7.820 1.00 0.00 H new ATOM 0 HB2 ARG A2671 -0.581 7.447 -8.944 1.00 0.00 H new ATOM 0 HB3 ARG A2671 -1.564 6.066 -9.390 1.00 0.00 H new ATOM 0 HG2 ARG A2671 -3.239 8.156 -10.040 1.00 0.00 H new ATOM 0 HG3 ARG A2671 -1.667 8.858 -10.366 1.00 0.00 H new ATOM 0 HD2 ARG A2671 -2.536 7.757 -12.376 1.00 0.00 H new ATOM 0 HD3 ARG A2671 -1.085 6.947 -11.821 1.00 0.00 H new ATOM 0 HE ARG A2671 -2.893 5.393 -10.610 1.00 0.00 H new ATOM 0 HH11 ARG A2671 -2.962 6.786 -13.865 1.00 0.00 H new ATOM 0 HH12 ARG A2671 -3.946 5.475 -14.524 1.00 0.00 H new ATOM 0 HH21 ARG A2671 -4.153 3.724 -11.475 1.00 0.00 H new ATOM 0 HH22 ARG A2671 -4.615 3.753 -13.179 1.00 0.00 H new ATOM 672 N TRP A2672 -2.923 4.963 -7.368 1.00 0.00 N ATOM 673 CA TRP A2672 -3.765 3.794 -7.208 1.00 0.00 C ATOM 674 C TRP A2672 -4.664 3.926 -5.984 1.00 0.00 C ATOM 675 O TRP A2672 -5.812 3.483 -6.002 1.00 0.00 O ATOM 676 CB TRP A2672 -2.887 2.562 -7.071 1.00 0.00 C ATOM 677 CG TRP A2672 -3.642 1.274 -7.088 1.00 0.00 C ATOM 678 CD1 TRP A2672 -3.680 0.375 -8.108 1.00 0.00 C ATOM 679 CD2 TRP A2672 -4.445 0.732 -6.036 1.00 0.00 C ATOM 680 NE1 TRP A2672 -4.447 -0.707 -7.753 1.00 0.00 N ATOM 681 CE2 TRP A2672 -4.928 -0.509 -6.486 1.00 0.00 C ATOM 682 CE3 TRP A2672 -4.800 1.169 -4.756 1.00 0.00 C ATOM 683 CZ2 TRP A2672 -5.742 -1.315 -5.702 1.00 0.00 C ATOM 684 CZ3 TRP A2672 -5.611 0.366 -3.980 1.00 0.00 C ATOM 685 CH2 TRP A2672 -6.070 -0.866 -4.457 1.00 0.00 C ATOM 0 H TRP A2672 -1.930 4.788 -7.214 1.00 0.00 H new ATOM 0 HA TRP A2672 -4.404 3.702 -8.086 1.00 0.00 H new ATOM 0 HB2 TRP A2672 -2.159 2.555 -7.882 1.00 0.00 H new ATOM 0 HB3 TRP A2672 -2.326 2.630 -6.139 1.00 0.00 H new ATOM 0 HD1 TRP A2672 -3.180 0.495 -9.058 1.00 0.00 H new ATOM 0 HE1 TRP A2672 -4.629 -1.524 -8.337 1.00 0.00 H new ATOM 0 HE3 TRP A2672 -4.446 2.118 -4.381 1.00 0.00 H new ATOM 0 HZ2 TRP A2672 -6.103 -2.266 -6.066 1.00 0.00 H new ATOM 0 HZ3 TRP A2672 -5.895 0.693 -2.991 1.00 0.00 H new ATOM 0 HH2 TRP A2672 -6.699 -1.476 -3.825 1.00 0.00 H new ATOM 696 N LEU A2673 -4.147 4.543 -4.919 1.00 0.00 N ATOM 697 CA LEU A2673 -4.924 4.730 -3.701 1.00 0.00 C ATOM 698 C LEU A2673 -5.954 5.831 -3.872 1.00 0.00 C ATOM 699 O LEU A2673 -7.015 5.793 -3.250 1.00 0.00 O ATOM 700 CB LEU A2673 -4.024 5.022 -2.507 1.00 0.00 C ATOM 701 CG LEU A2673 -3.731 3.798 -1.643 1.00 0.00 C ATOM 702 CD1 LEU A2673 -5.016 3.257 -1.032 1.00 0.00 C ATOM 703 CD2 LEU A2673 -3.042 2.720 -2.468 1.00 0.00 C ATOM 0 H LEU A2673 -3.199 4.918 -4.879 1.00 0.00 H new ATOM 0 HA LEU A2673 -5.451 3.796 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A2673 -3.082 5.435 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A2673 -4.493 5.788 -1.889 1.00 0.00 H new ATOM 0 HG LEU A2673 -3.064 4.097 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A2673 -4.788 2.385 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A2673 -5.476 4.026 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A2673 -5.705 2.972 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A2673 -2.840 1.854 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A2673 -3.689 2.425 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A2673 -2.103 3.109 -2.863 1.00 0.00 H new ATOM 715 N GLU A2674 -5.672 6.789 -4.755 1.00 0.00 N ATOM 716 CA GLU A2674 -6.632 7.846 -5.020 1.00 0.00 C ATOM 717 C GLU A2674 -7.686 7.313 -5.988 1.00 0.00 C ATOM 718 O GLU A2674 -8.826 7.777 -6.015 1.00 0.00 O ATOM 719 CB GLU A2674 -5.936 9.091 -5.592 1.00 0.00 C ATOM 720 CG GLU A2674 -5.562 8.984 -7.064 1.00 0.00 C ATOM 721 CD GLU A2674 -5.275 10.334 -7.690 1.00 0.00 C ATOM 722 OE1 GLU A2674 -6.128 10.826 -8.459 1.00 0.00 O ATOM 723 OE2 GLU A2674 -4.197 10.901 -7.411 1.00 0.00 O ATOM 0 H GLU A2674 -4.804 6.851 -5.286 1.00 0.00 H new ATOM 0 HA GLU A2674 -7.111 8.148 -4.089 1.00 0.00 H new ATOM 0 HB2 GLU A2674 -6.591 9.952 -5.458 1.00 0.00 H new ATOM 0 HB3 GLU A2674 -5.033 9.285 -5.014 1.00 0.00 H new ATOM 0 HG2 GLU A2674 -4.685 8.346 -7.167 1.00 0.00 H new ATOM 0 HG3 GLU A2674 -6.374 8.500 -7.607 1.00 0.00 H new ATOM 730 N GLU A2675 -7.276 6.319 -6.779 1.00 0.00 N ATOM 731 CA GLU A2675 -8.146 5.681 -7.758 1.00 0.00 C ATOM 732 C GLU A2675 -8.978 4.564 -7.128 1.00 0.00 C ATOM 733 O GLU A2675 -10.033 4.203 -7.648 1.00 0.00 O ATOM 734 CB GLU A2675 -7.303 5.111 -8.901 1.00 0.00 C ATOM 735 CG GLU A2675 -7.369 5.938 -10.175 1.00 0.00 C ATOM 736 CD GLU A2675 -8.102 5.227 -11.296 1.00 0.00 C ATOM 737 OE1 GLU A2675 -7.451 4.875 -12.302 1.00 0.00 O ATOM 738 OE2 GLU A2675 -9.328 5.021 -11.167 1.00 0.00 O ATOM 0 H GLU A2675 -6.331 5.937 -6.756 1.00 0.00 H new ATOM 0 HA GLU A2675 -8.832 6.437 -8.141 1.00 0.00 H new ATOM 0 HB2 GLU A2675 -6.265 5.041 -8.576 1.00 0.00 H new ATOM 0 HB3 GLU A2675 -7.638 4.097 -9.118 1.00 0.00 H new ATOM 0 HG2 GLU A2675 -7.867 6.884 -9.964 1.00 0.00 H new ATOM 0 HG3 GLU A2675 -6.357 6.176 -10.502 1.00 0.00 H new ATOM 745 N ASN A2676 -8.504 4.015 -6.010 1.00 0.00 N ATOM 746 CA ASN A2676 -9.222 2.939 -5.331 1.00 0.00 C ATOM 747 C ASN A2676 -9.634 3.363 -3.924 1.00 0.00 C ATOM 748 O ASN A2676 -9.020 2.956 -2.937 1.00 0.00 O ATOM 749 CB ASN A2676 -8.360 1.678 -5.267 1.00 0.00 C ATOM 750 CG ASN A2676 -8.085 1.095 -6.640 1.00 0.00 C ATOM 751 OD1 ASN A2676 -8.869 0.300 -7.159 1.00 0.00 O ATOM 752 ND2 ASN A2676 -6.966 1.489 -7.238 1.00 0.00 N ATOM 0 H ASN A2676 -7.633 4.295 -5.559 1.00 0.00 H new ATOM 0 HA ASN A2676 -10.123 2.721 -5.904 1.00 0.00 H new ATOM 0 HB2 ASN A2676 -7.414 1.912 -4.779 1.00 0.00 H new ATOM 0 HB3 ASN A2676 -8.860 0.930 -4.651 1.00 0.00 H new ATOM 0 HD21 ASN A2676 -6.729 1.131 -8.163 1.00 0.00 H new ATOM 0 HD22 ASN A2676 -6.344 2.150 -6.772 1.00 0.00 H new ATOM 759 N PRO A2677 -10.687 4.192 -3.814 1.00 0.00 N ATOM 760 CA PRO A2677 -11.182 4.675 -2.520 1.00 0.00 C ATOM 761 C PRO A2677 -11.745 3.555 -1.651 1.00 0.00 C ATOM 762 O PRO A2677 -11.829 3.691 -0.431 1.00 0.00 O ATOM 763 CB PRO A2677 -12.289 5.662 -2.903 1.00 0.00 C ATOM 764 CG PRO A2677 -12.710 5.256 -4.272 1.00 0.00 C ATOM 765 CD PRO A2677 -11.475 4.724 -4.940 1.00 0.00 C ATOM 0 HA PRO A2677 -10.384 5.119 -1.925 1.00 0.00 H new ATOM 0 HB2 PRO A2677 -13.123 5.612 -2.202 1.00 0.00 H new ATOM 0 HB3 PRO A2677 -11.924 6.689 -2.891 1.00 0.00 H new ATOM 0 HG2 PRO A2677 -13.491 4.496 -4.232 1.00 0.00 H new ATOM 0 HG3 PRO A2677 -13.118 6.103 -4.823 1.00 0.00 H new ATOM 0 HD2 PRO A2677 -11.713 3.948 -5.667 1.00 0.00 H new ATOM 0 HD3 PRO A2677 -10.937 5.507 -5.474 1.00 0.00 H new ATOM 773 N GLU A2678 -12.134 2.450 -2.282 1.00 0.00 N ATOM 774 CA GLU A2678 -12.692 1.316 -1.555 1.00 0.00 C ATOM 775 C GLU A2678 -11.591 0.393 -1.044 1.00 0.00 C ATOM 776 O GLU A2678 -11.872 -0.621 -0.407 1.00 0.00 O ATOM 777 CB GLU A2678 -13.635 0.524 -2.459 1.00 0.00 C ATOM 778 CG GLU A2678 -14.602 1.392 -3.248 1.00 0.00 C ATOM 779 CD GLU A2678 -15.976 1.462 -2.610 1.00 0.00 C ATOM 780 OE1 GLU A2678 -16.069 1.909 -1.449 1.00 0.00 O ATOM 781 OE2 GLU A2678 -16.958 1.069 -3.274 1.00 0.00 O ATOM 0 H GLU A2678 -12.073 2.317 -3.291 1.00 0.00 H new ATOM 0 HA GLU A2678 -13.244 1.708 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A2678 -13.043 -0.069 -3.156 1.00 0.00 H new ATOM 0 HB3 GLU A2678 -14.205 -0.176 -1.849 1.00 0.00 H new ATOM 0 HG2 GLU A2678 -14.194 2.399 -3.334 1.00 0.00 H new ATOM 0 HG3 GLU A2678 -14.695 0.998 -4.260 1.00 0.00 H new ATOM 788 N PHE A2679 -10.341 0.733 -1.339 1.00 0.00 N ATOM 789 CA PHE A2679 -9.219 -0.091 -0.916 1.00 0.00 C ATOM 790 C PHE A2679 -8.276 0.649 0.018 1.00 0.00 C ATOM 791 O PHE A2679 -8.249 1.880 0.060 1.00 0.00 O ATOM 792 CB PHE A2679 -8.446 -0.580 -2.136 1.00 0.00 C ATOM 793 CG PHE A2679 -9.011 -1.834 -2.723 1.00 0.00 C ATOM 794 CD1 PHE A2679 -10.140 -1.789 -3.522 1.00 0.00 C ATOM 795 CD2 PHE A2679 -8.419 -3.058 -2.466 1.00 0.00 C ATOM 796 CE1 PHE A2679 -10.667 -2.947 -4.058 1.00 0.00 C ATOM 797 CE2 PHE A2679 -8.940 -4.219 -2.998 1.00 0.00 C ATOM 798 CZ PHE A2679 -10.066 -4.166 -3.795 1.00 0.00 C ATOM 0 H PHE A2679 -10.082 1.567 -1.865 1.00 0.00 H new ATOM 0 HA PHE A2679 -9.631 -0.937 -0.366 1.00 0.00 H new ATOM 0 HB2 PHE A2679 -8.445 0.202 -2.896 1.00 0.00 H new ATOM 0 HB3 PHE A2679 -7.407 -0.753 -1.855 1.00 0.00 H new ATOM 0 HD1 PHE A2679 -10.613 -0.840 -3.728 1.00 0.00 H new ATOM 0 HD2 PHE A2679 -7.539 -3.105 -1.842 1.00 0.00 H new ATOM 0 HE1 PHE A2679 -11.547 -2.902 -4.682 1.00 0.00 H new ATOM 0 HE2 PHE A2679 -8.468 -5.168 -2.791 1.00 0.00 H new ATOM 0 HZ PHE A2679 -10.477 -5.073 -4.212 1.00 0.00 H new ATOM 808 N ALA A2680 -7.487 -0.128 0.747 1.00 0.00 N ATOM 809 CA ALA A2680 -6.508 0.412 1.676 1.00 0.00 C ATOM 810 C ALA A2680 -5.242 -0.429 1.625 1.00 0.00 C ATOM 811 O ALA A2680 -5.194 -1.438 0.922 1.00 0.00 O ATOM 812 CB ALA A2680 -7.074 0.462 3.085 1.00 0.00 C ATOM 0 H ALA A2680 -7.508 -1.147 0.710 1.00 0.00 H new ATOM 0 HA ALA A2680 -6.263 1.433 1.384 1.00 0.00 H new ATOM 0 HB1 ALA A2680 -6.325 0.869 3.764 1.00 0.00 H new ATOM 0 HB2 ALA A2680 -7.960 1.097 3.099 1.00 0.00 H new ATOM 0 HB3 ALA A2680 -7.344 -0.544 3.405 1.00 0.00 H new ATOM 818 N VAL A2681 -4.209 -0.018 2.350 1.00 0.00 N ATOM 819 CA VAL A2681 -2.951 -0.753 2.348 1.00 0.00 C ATOM 820 C VAL A2681 -2.815 -1.647 3.577 1.00 0.00 C ATOM 821 O VAL A2681 -3.276 -1.298 4.661 1.00 0.00 O ATOM 822 CB VAL A2681 -1.760 0.214 2.304 1.00 0.00 C ATOM 823 CG1 VAL A2681 -0.456 -0.550 2.188 1.00 0.00 C ATOM 824 CG2 VAL A2681 -1.916 1.199 1.155 1.00 0.00 C ATOM 0 H VAL A2681 -4.217 0.813 2.942 1.00 0.00 H new ATOM 0 HA VAL A2681 -2.953 -1.381 1.457 1.00 0.00 H new ATOM 0 HB VAL A2681 -1.739 0.779 3.236 1.00 0.00 H new ATOM 0 HG11 VAL A2681 0.376 0.153 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A2681 -0.343 -1.210 3.048 1.00 0.00 H new ATOM 0 HG13 VAL A2681 -0.462 -1.144 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A2681 -1.063 1.877 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A2681 -1.964 0.654 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A2681 -2.833 1.773 1.290 1.00 0.00 H new ATOM 834 N ALA A2682 -2.190 -2.811 3.395 1.00 0.00 N ATOM 835 CA ALA A2682 -2.011 -3.769 4.488 1.00 0.00 C ATOM 836 C ALA A2682 -1.403 -3.114 5.733 1.00 0.00 C ATOM 837 O ALA A2682 -0.682 -2.122 5.639 1.00 0.00 O ATOM 838 CB ALA A2682 -1.141 -4.930 4.027 1.00 0.00 C ATOM 0 H ALA A2682 -1.800 -3.113 2.503 1.00 0.00 H new ATOM 0 HA ALA A2682 -2.998 -4.141 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A2682 -1.014 -5.637 4.847 1.00 0.00 H new ATOM 0 HB2 ALA A2682 -1.620 -5.432 3.186 1.00 0.00 H new ATOM 0 HB3 ALA A2682 -0.166 -4.554 3.718 1.00 0.00 H new ATOM 844 N PRO A2683 -1.706 -3.670 6.926 1.00 0.00 N ATOM 845 CA PRO A2683 -1.217 -3.154 8.217 1.00 0.00 C ATOM 846 C PRO A2683 0.296 -2.951 8.258 1.00 0.00 C ATOM 847 O PRO A2683 0.773 -1.866 8.584 1.00 0.00 O ATOM 848 CB PRO A2683 -1.638 -4.234 9.226 1.00 0.00 C ATOM 849 CG PRO A2683 -2.055 -5.410 8.407 1.00 0.00 C ATOM 850 CD PRO A2683 -2.561 -4.848 7.113 1.00 0.00 C ATOM 0 HA PRO A2683 -1.630 -2.167 8.424 1.00 0.00 H new ATOM 0 HB2 PRO A2683 -0.813 -4.492 9.890 1.00 0.00 H new ATOM 0 HB3 PRO A2683 -2.457 -3.885 9.855 1.00 0.00 H new ATOM 0 HG2 PRO A2683 -1.217 -6.086 8.238 1.00 0.00 H new ATOM 0 HG3 PRO A2683 -2.831 -5.984 8.914 1.00 0.00 H new ATOM 0 HD2 PRO A2683 -2.458 -5.559 6.293 1.00 0.00 H new ATOM 0 HD3 PRO A2683 -3.616 -4.579 7.171 1.00 0.00 H new ATOM 858 N ASP A2684 1.050 -3.988 7.926 1.00 0.00 N ATOM 859 CA ASP A2684 2.506 -3.894 7.924 1.00 0.00 C ATOM 860 C ASP A2684 2.966 -2.978 6.797 1.00 0.00 C ATOM 861 O ASP A2684 4.085 -2.445 6.808 1.00 0.00 O ATOM 862 CB ASP A2684 3.133 -5.281 7.761 1.00 0.00 C ATOM 863 CG ASP A2684 3.111 -6.080 9.049 1.00 0.00 C ATOM 864 OD1 ASP A2684 2.006 -6.327 9.576 1.00 0.00 O ATOM 865 OD2 ASP A2684 4.199 -6.459 9.531 1.00 0.00 O ATOM 0 H ASP A2684 0.683 -4.900 7.656 1.00 0.00 H new ATOM 0 HA ASP A2684 2.829 -3.477 8.878 1.00 0.00 H new ATOM 0 HB2 ASP A2684 2.597 -5.830 6.987 1.00 0.00 H new ATOM 0 HB3 ASP A2684 4.163 -5.173 7.421 1.00 0.00 H new ATOM 870 N TRP A2685 2.066 -2.745 5.852 1.00 0.00 N ATOM 871 CA TRP A2685 2.349 -1.860 4.749 1.00 0.00 C ATOM 872 C TRP A2685 1.887 -0.456 5.094 1.00 0.00 C ATOM 873 O TRP A2685 2.284 0.511 4.463 1.00 0.00 O ATOM 874 CB TRP A2685 1.705 -2.381 3.471 1.00 0.00 C ATOM 875 CG TRP A2685 2.444 -3.558 2.921 1.00 0.00 C ATOM 876 CD1 TRP A2685 2.144 -4.876 3.107 1.00 0.00 C ATOM 877 CD2 TRP A2685 3.623 -3.524 2.111 1.00 0.00 C ATOM 878 NE1 TRP A2685 3.064 -5.662 2.463 1.00 0.00 N ATOM 879 CE2 TRP A2685 3.980 -4.857 1.839 1.00 0.00 C ATOM 880 CE3 TRP A2685 4.409 -2.497 1.585 1.00 0.00 C ATOM 881 CZ2 TRP A2685 5.089 -5.189 1.066 1.00 0.00 C ATOM 882 CZ3 TRP A2685 5.510 -2.826 0.817 1.00 0.00 C ATOM 883 CH2 TRP A2685 5.840 -4.162 0.563 1.00 0.00 C ATOM 0 H TRP A2685 1.135 -3.161 5.834 1.00 0.00 H new ATOM 0 HA TRP A2685 3.424 -1.824 4.571 1.00 0.00 H new ATOM 0 HB2 TRP A2685 0.671 -2.662 3.672 1.00 0.00 H new ATOM 0 HB3 TRP A2685 1.680 -1.586 2.726 1.00 0.00 H new ATOM 0 HD1 TRP A2685 1.305 -5.246 3.678 1.00 0.00 H new ATOM 0 HE1 TRP A2685 3.066 -6.682 2.450 1.00 0.00 H new ATOM 0 HE3 TRP A2685 4.161 -1.463 1.775 1.00 0.00 H new ATOM 0 HZ2 TRP A2685 5.347 -6.219 0.871 1.00 0.00 H new ATOM 0 HZ3 TRP A2685 6.126 -2.039 0.406 1.00 0.00 H new ATOM 0 HH2 TRP A2685 6.705 -4.387 -0.043 1.00 0.00 H new ATOM 894 N THR A2686 1.086 -0.346 6.146 1.00 0.00 N ATOM 895 CA THR A2686 0.636 0.949 6.610 1.00 0.00 C ATOM 896 C THR A2686 1.858 1.687 7.140 1.00 0.00 C ATOM 897 O THR A2686 2.084 2.860 6.836 1.00 0.00 O ATOM 898 CB THR A2686 -0.431 0.780 7.703 1.00 0.00 C ATOM 899 OG1 THR A2686 -1.704 0.514 7.136 1.00 0.00 O ATOM 900 CG2 THR A2686 -0.577 1.983 8.607 1.00 0.00 C ATOM 0 H THR A2686 0.739 -1.137 6.688 1.00 0.00 H new ATOM 0 HA THR A2686 0.177 1.518 5.801 1.00 0.00 H new ATOM 0 HB THR A2686 -0.081 -0.060 8.303 1.00 0.00 H new ATOM 0 HG1 THR A2686 -1.656 -0.299 6.591 1.00 0.00 H new ATOM 0 HG21 THR A2686 -1.348 1.787 9.352 1.00 0.00 H new ATOM 0 HG22 THR A2686 0.371 2.178 9.109 1.00 0.00 H new ATOM 0 HG23 THR A2686 -0.859 2.852 8.013 1.00 0.00 H new ATOM 908 N ASP A2687 2.668 0.959 7.910 1.00 0.00 N ATOM 909 CA ASP A2687 3.894 1.507 8.461 1.00 0.00 C ATOM 910 C ASP A2687 4.946 1.622 7.364 1.00 0.00 C ATOM 911 O ASP A2687 5.535 2.689 7.173 1.00 0.00 O ATOM 912 CB ASP A2687 4.413 0.626 9.600 1.00 0.00 C ATOM 913 CG ASP A2687 3.966 1.118 10.963 1.00 0.00 C ATOM 914 OD1 ASP A2687 4.727 1.881 11.597 1.00 0.00 O ATOM 915 OD2 ASP A2687 2.858 0.743 11.396 1.00 0.00 O ATOM 0 H ASP A2687 2.491 -0.013 8.163 1.00 0.00 H new ATOM 0 HA ASP A2687 3.685 2.499 8.862 1.00 0.00 H new ATOM 0 HB2 ASP A2687 4.063 -0.396 9.453 1.00 0.00 H new ATOM 0 HB3 ASP A2687 5.502 0.598 9.566 1.00 0.00 H new ATOM 920 N ILE A2688 5.176 0.530 6.623 1.00 0.00 N ATOM 921 CA ILE A2688 6.154 0.559 5.538 1.00 0.00 C ATOM 922 C ILE A2688 5.828 1.688 4.560 1.00 0.00 C ATOM 923 O ILE A2688 6.656 2.564 4.303 1.00 0.00 O ATOM 924 CB ILE A2688 6.190 -0.790 4.780 1.00 0.00 C ATOM 925 CG1 ILE A2688 6.779 -1.884 5.671 1.00 0.00 C ATOM 926 CG2 ILE A2688 6.988 -0.668 3.490 1.00 0.00 C ATOM 927 CD1 ILE A2688 6.786 -3.253 5.023 1.00 0.00 C ATOM 0 H ILE A2688 4.706 -0.366 6.754 1.00 0.00 H new ATOM 0 HA ILE A2688 7.135 0.734 5.980 1.00 0.00 H new ATOM 0 HB ILE A2688 5.167 -1.063 4.521 1.00 0.00 H new ATOM 0 HG12 ILE A2688 7.800 -1.613 5.939 1.00 0.00 H new ATOM 0 HG13 ILE A2688 6.208 -1.933 6.598 1.00 0.00 H new ATOM 0 HG21 ILE A2688 6.998 -1.629 2.976 1.00 0.00 H new ATOM 0 HG22 ILE A2688 6.528 0.082 2.847 1.00 0.00 H new ATOM 0 HG23 ILE A2688 8.010 -0.370 3.722 1.00 0.00 H new ATOM 0 HD11 ILE A2688 7.217 -3.979 5.712 1.00 0.00 H new ATOM 0 HD12 ILE A2688 5.765 -3.546 4.780 1.00 0.00 H new ATOM 0 HD13 ILE A2688 7.381 -3.221 4.110 1.00 0.00 H new ATOM 939 N VAL A2689 4.609 1.666 4.030 1.00 0.00 N ATOM 940 CA VAL A2689 4.164 2.690 3.094 1.00 0.00 C ATOM 941 C VAL A2689 4.323 4.074 3.709 1.00 0.00 C ATOM 942 O VAL A2689 4.753 5.014 3.044 1.00 0.00 O ATOM 943 CB VAL A2689 2.703 2.472 2.657 1.00 0.00 C ATOM 944 CG1 VAL A2689 2.219 3.612 1.776 1.00 0.00 C ATOM 945 CG2 VAL A2689 2.566 1.143 1.931 1.00 0.00 C ATOM 0 H VAL A2689 3.912 0.949 4.234 1.00 0.00 H new ATOM 0 HA VAL A2689 4.791 2.615 2.206 1.00 0.00 H new ATOM 0 HB VAL A2689 2.079 2.452 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A2689 1.185 3.431 1.483 1.00 0.00 H new ATOM 0 HG12 VAL A2689 2.281 4.550 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A2689 2.843 3.673 0.885 1.00 0.00 H new ATOM 0 HG21 VAL A2689 1.529 1.000 1.627 1.00 0.00 H new ATOM 0 HG22 VAL A2689 3.206 1.143 1.049 1.00 0.00 H new ATOM 0 HG23 VAL A2689 2.864 0.333 2.596 1.00 0.00 H new ATOM 955 N LYS A2690 3.995 4.200 4.991 1.00 0.00 N ATOM 956 CA LYS A2690 4.143 5.479 5.672 1.00 0.00 C ATOM 957 C LYS A2690 5.551 6.022 5.436 1.00 0.00 C ATOM 958 O LYS A2690 5.727 7.166 5.016 1.00 0.00 O ATOM 959 CB LYS A2690 3.878 5.321 7.172 1.00 0.00 C ATOM 960 CG LYS A2690 2.506 5.815 7.603 1.00 0.00 C ATOM 961 CD LYS A2690 2.568 6.547 8.934 1.00 0.00 C ATOM 962 CE LYS A2690 1.179 6.795 9.502 1.00 0.00 C ATOM 963 NZ LYS A2690 0.915 5.962 10.707 1.00 0.00 N ATOM 0 H LYS A2690 3.631 3.444 5.571 1.00 0.00 H new ATOM 0 HA LYS A2690 3.415 6.183 5.270 1.00 0.00 H new ATOM 0 HB2 LYS A2690 3.977 4.269 7.441 1.00 0.00 H new ATOM 0 HB3 LYS A2690 4.642 5.866 7.727 1.00 0.00 H new ATOM 0 HG2 LYS A2690 2.102 6.480 6.840 1.00 0.00 H new ATOM 0 HG3 LYS A2690 1.823 4.969 7.683 1.00 0.00 H new ATOM 0 HD2 LYS A2690 3.153 5.963 9.644 1.00 0.00 H new ATOM 0 HD3 LYS A2690 3.083 7.499 8.803 1.00 0.00 H new ATOM 0 HE2 LYS A2690 1.075 7.849 9.759 1.00 0.00 H new ATOM 0 HE3 LYS A2690 0.431 6.578 8.740 1.00 0.00 H new ATOM 0 HZ1 LYS A2690 -0.042 6.161 11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A2690 0.989 4.955 10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A2690 1.613 6.187 11.444 1.00 0.00 H new ATOM 977 N GLN A2691 6.549 5.170 5.671 1.00 0.00 N ATOM 978 CA GLN A2691 7.951 5.523 5.451 1.00 0.00 C ATOM 979 C GLN A2691 8.301 5.541 3.958 1.00 0.00 C ATOM 980 O GLN A2691 9.343 6.064 3.562 1.00 0.00 O ATOM 981 CB GLN A2691 8.856 4.529 6.181 1.00 0.00 C ATOM 982 CG GLN A2691 8.881 4.718 7.689 1.00 0.00 C ATOM 983 CD GLN A2691 8.032 3.694 8.418 1.00 0.00 C ATOM 984 OE1 GLN A2691 7.061 4.043 9.090 1.00 0.00 O ATOM 985 NE2 GLN A2691 8.395 2.424 8.289 1.00 0.00 N ATOM 0 H GLN A2691 6.409 4.221 6.017 1.00 0.00 H new ATOM 0 HA GLN A2691 8.109 6.527 5.846 1.00 0.00 H new ATOM 0 HB2 GLN A2691 8.523 3.516 5.956 1.00 0.00 H new ATOM 0 HB3 GLN A2691 9.871 4.624 5.795 1.00 0.00 H new ATOM 0 HG2 GLN A2691 9.910 4.650 8.043 1.00 0.00 H new ATOM 0 HG3 GLN A2691 8.525 5.719 7.932 1.00 0.00 H new ATOM 0 HE21 GLN A2691 9.207 2.181 7.722 1.00 0.00 H new ATOM 0 HE22 GLN A2691 7.862 1.691 8.757 1.00 0.00 H new ATOM 994 N SER A2692 7.434 4.942 3.139 1.00 0.00 N ATOM 995 CA SER A2692 7.643 4.856 1.690 1.00 0.00 C ATOM 996 C SER A2692 8.145 6.156 1.086 1.00 0.00 C ATOM 997 O SER A2692 8.939 6.148 0.146 1.00 0.00 O ATOM 998 CB SER A2692 6.337 4.470 0.986 1.00 0.00 C ATOM 999 OG SER A2692 5.591 5.627 0.596 1.00 0.00 O ATOM 0 H SER A2692 6.570 4.504 3.459 1.00 0.00 H new ATOM 0 HA SER A2692 8.407 4.093 1.539 1.00 0.00 H new ATOM 0 HB2 SER A2692 6.561 3.866 0.106 1.00 0.00 H new ATOM 0 HB3 SER A2692 5.733 3.853 1.651 1.00 0.00 H new ATOM 0 HG SER A2692 4.980 5.881 1.319 1.00 0.00 H new ATOM 1005 N GLY A2693 7.668 7.271 1.610 1.00 0.00 N ATOM 1006 CA GLY A2693 8.070 8.554 1.075 1.00 0.00 C ATOM 1007 C GLY A2693 7.344 8.886 -0.222 1.00 0.00 C ATOM 1008 O GLY A2693 7.313 10.045 -0.638 1.00 0.00 O ATOM 0 H GLY A2693 7.014 7.313 2.391 1.00 0.00 H new ATOM 0 HA2 GLY A2693 7.870 9.332 1.811 1.00 0.00 H new ATOM 0 HA3 GLY A2693 9.145 8.552 0.898 1.00 0.00 H new ATOM 1012 N PHE A2694 6.748 7.871 -0.862 1.00 0.00 N ATOM 1013 CA PHE A2694 6.016 8.081 -2.106 1.00 0.00 C ATOM 1014 C PHE A2694 4.589 8.488 -1.818 1.00 0.00 C ATOM 1015 O PHE A2694 3.969 9.195 -2.613 1.00 0.00 O ATOM 1016 CB PHE A2694 5.998 6.825 -2.982 1.00 0.00 C ATOM 1017 CG PHE A2694 7.309 6.116 -3.051 1.00 0.00 C ATOM 1018 CD1 PHE A2694 7.680 5.264 -2.037 1.00 0.00 C ATOM 1019 CD2 PHE A2694 8.170 6.306 -4.120 1.00 0.00 C ATOM 1020 CE1 PHE A2694 8.889 4.608 -2.073 1.00 0.00 C ATOM 1021 CE2 PHE A2694 9.385 5.649 -4.167 1.00 0.00 C ATOM 1022 CZ PHE A2694 9.747 4.800 -3.141 1.00 0.00 C ATOM 0 H PHE A2694 6.761 6.904 -0.537 1.00 0.00 H new ATOM 0 HA PHE A2694 6.534 8.875 -2.644 1.00 0.00 H new ATOM 0 HB2 PHE A2694 5.244 6.137 -2.598 1.00 0.00 H new ATOM 0 HB3 PHE A2694 5.693 7.102 -3.991 1.00 0.00 H new ATOM 0 HD1 PHE A2694 7.014 5.108 -1.202 1.00 0.00 H new ATOM 0 HD2 PHE A2694 7.890 6.972 -4.922 1.00 0.00 H new ATOM 0 HE1 PHE A2694 9.168 3.944 -1.268 1.00 0.00 H new ATOM 0 HE2 PHE A2694 10.050 5.800 -5.005 1.00 0.00 H new ATOM 0 HZ PHE A2694 10.697 4.287 -3.172 1.00 0.00 H new ATOM 1032 N VAL A2695 4.053 8.052 -0.681 1.00 0.00 N ATOM 1033 CA VAL A2695 2.682 8.401 -0.325 1.00 0.00 C ATOM 1034 C VAL A2695 2.648 9.545 0.687 1.00 0.00 C ATOM 1035 O VAL A2695 3.397 9.537 1.664 1.00 0.00 O ATOM 1036 CB VAL A2695 1.928 7.195 0.268 1.00 0.00 C ATOM 1037 CG1 VAL A2695 0.428 7.440 0.239 1.00 0.00 C ATOM 1038 CG2 VAL A2695 2.280 5.918 -0.480 1.00 0.00 C ATOM 0 H VAL A2695 4.538 7.466 -0.001 1.00 0.00 H new ATOM 0 HA VAL A2695 2.191 8.714 -1.246 1.00 0.00 H new ATOM 0 HB VAL A2695 2.236 7.074 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A2695 -0.090 6.579 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A2695 0.193 8.328 0.826 1.00 0.00 H new ATOM 0 HG13 VAL A2695 0.104 7.589 -0.791 1.00 0.00 H new ATOM 0 HG21 VAL A2695 1.736 5.080 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL A2695 2.005 6.023 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A2695 3.352 5.735 -0.403 1.00 0.00 H new ATOM 1048 N PRO A2696 1.775 10.547 0.473 1.00 0.00 N ATOM 1049 CA PRO A2696 1.656 11.691 1.380 1.00 0.00 C ATOM 1050 C PRO A2696 1.051 11.302 2.724 1.00 0.00 C ATOM 1051 O PRO A2696 0.120 10.500 2.791 1.00 0.00 O ATOM 1052 CB PRO A2696 0.737 12.657 0.630 1.00 0.00 C ATOM 1053 CG PRO A2696 -0.049 11.800 -0.301 1.00 0.00 C ATOM 1054 CD PRO A2696 0.840 10.642 -0.665 1.00 0.00 C ATOM 0 HA PRO A2696 2.628 12.120 1.622 1.00 0.00 H new ATOM 0 HB2 PRO A2696 0.084 13.194 1.318 1.00 0.00 H new ATOM 0 HB3 PRO A2696 1.312 13.406 0.086 1.00 0.00 H new ATOM 0 HG2 PRO A2696 -0.966 11.451 0.173 1.00 0.00 H new ATOM 0 HG3 PRO A2696 -0.342 12.359 -1.190 1.00 0.00 H new ATOM 0 HD2 PRO A2696 0.268 9.723 -0.791 1.00 0.00 H new ATOM 0 HD3 PRO A2696 1.367 10.821 -1.602 1.00 0.00 H new ATOM 1062 N GLU A2697 1.599 11.870 3.794 1.00 0.00 N ATOM 1063 CA GLU A2697 1.130 11.583 5.146 1.00 0.00 C ATOM 1064 C GLU A2697 -0.379 11.768 5.266 1.00 0.00 C ATOM 1065 O GLU A2697 -1.038 11.066 6.031 1.00 0.00 O ATOM 1066 CB GLU A2697 1.850 12.480 6.156 1.00 0.00 C ATOM 1067 CG GLU A2697 1.408 13.933 6.111 1.00 0.00 C ATOM 1068 CD GLU A2697 2.050 14.773 7.198 1.00 0.00 C ATOM 1069 OE1 GLU A2697 1.322 15.535 7.867 1.00 0.00 O ATOM 1070 OE2 GLU A2697 3.281 14.669 7.379 1.00 0.00 O ATOM 0 H GLU A2697 2.372 12.535 3.751 1.00 0.00 H new ATOM 0 HA GLU A2697 1.358 10.539 5.363 1.00 0.00 H new ATOM 0 HB2 GLU A2697 1.681 12.090 7.160 1.00 0.00 H new ATOM 0 HB3 GLU A2697 2.923 12.431 5.971 1.00 0.00 H new ATOM 0 HG2 GLU A2697 1.657 14.354 5.137 1.00 0.00 H new ATOM 0 HG3 GLU A2697 0.324 13.982 6.212 1.00 0.00 H new ATOM 1077 N SER A2698 -0.921 12.716 4.512 1.00 0.00 N ATOM 1078 CA SER A2698 -2.353 12.988 4.545 1.00 0.00 C ATOM 1079 C SER A2698 -3.154 11.770 4.094 1.00 0.00 C ATOM 1080 O SER A2698 -4.241 11.507 4.611 1.00 0.00 O ATOM 1081 CB SER A2698 -2.683 14.187 3.655 1.00 0.00 C ATOM 1082 OG SER A2698 -2.290 15.402 4.270 1.00 0.00 O ATOM 0 H SER A2698 -0.392 13.308 3.872 1.00 0.00 H new ATOM 0 HA SER A2698 -2.629 13.217 5.574 1.00 0.00 H new ATOM 0 HB2 SER A2698 -2.177 14.081 2.695 1.00 0.00 H new ATOM 0 HB3 SER A2698 -3.753 14.209 3.451 1.00 0.00 H new ATOM 0 HG SER A2698 -2.510 16.153 3.680 1.00 0.00 H new ATOM 1088 N MET A2699 -2.618 11.032 3.128 1.00 0.00 N ATOM 1089 CA MET A2699 -3.296 9.846 2.615 1.00 0.00 C ATOM 1090 C MET A2699 -3.051 8.630 3.505 1.00 0.00 C ATOM 1091 O MET A2699 -3.578 7.550 3.245 1.00 0.00 O ATOM 1092 CB MET A2699 -2.850 9.546 1.185 1.00 0.00 C ATOM 1093 CG MET A2699 -3.878 9.946 0.139 1.00 0.00 C ATOM 1094 SD MET A2699 -4.349 8.580 -0.939 1.00 0.00 S ATOM 1095 CE MET A2699 -3.181 8.796 -2.278 1.00 0.00 C ATOM 0 H MET A2699 -1.721 11.232 2.686 1.00 0.00 H new ATOM 0 HA MET A2699 -4.366 10.056 2.617 1.00 0.00 H new ATOM 0 HB2 MET A2699 -1.916 10.071 0.985 1.00 0.00 H new ATOM 0 HB3 MET A2699 -2.643 8.480 1.092 1.00 0.00 H new ATOM 0 HG2 MET A2699 -4.767 10.331 0.639 1.00 0.00 H new ATOM 0 HG3 MET A2699 -3.476 10.758 -0.467 1.00 0.00 H new ATOM 0 HE1 MET A2699 -3.183 7.907 -2.909 1.00 0.00 H new ATOM 0 HE2 MET A2699 -3.466 9.664 -2.873 1.00 0.00 H new ATOM 0 HE3 MET A2699 -2.182 8.948 -1.869 1.00 0.00 H new ATOM 1105 N PHE A2700 -2.267 8.806 4.564 1.00 0.00 N ATOM 1106 CA PHE A2700 -1.990 7.710 5.484 1.00 0.00 C ATOM 1107 C PHE A2700 -3.294 7.122 6.022 1.00 0.00 C ATOM 1108 O PHE A2700 -3.329 5.980 6.481 1.00 0.00 O ATOM 1109 CB PHE A2700 -1.100 8.189 6.635 1.00 0.00 C ATOM 1110 CG PHE A2700 0.348 8.382 6.254 1.00 0.00 C ATOM 1111 CD1 PHE A2700 0.798 8.111 4.966 1.00 0.00 C ATOM 1112 CD2 PHE A2700 1.264 8.833 7.192 1.00 0.00 C ATOM 1113 CE1 PHE A2700 2.126 8.285 4.628 1.00 0.00 C ATOM 1114 CE2 PHE A2700 2.594 9.009 6.858 1.00 0.00 C ATOM 1115 CZ PHE A2700 3.024 8.735 5.575 1.00 0.00 C ATOM 0 H PHE A2700 -1.816 9.689 4.805 1.00 0.00 H new ATOM 0 HA PHE A2700 -1.459 6.928 4.941 1.00 0.00 H new ATOM 0 HB2 PHE A2700 -1.493 9.131 7.016 1.00 0.00 H new ATOM 0 HB3 PHE A2700 -1.157 7.467 7.449 1.00 0.00 H new ATOM 0 HD1 PHE A2700 0.100 7.760 4.220 1.00 0.00 H new ATOM 0 HD2 PHE A2700 0.934 9.050 8.197 1.00 0.00 H new ATOM 0 HE1 PHE A2700 2.461 8.069 3.624 1.00 0.00 H new ATOM 0 HE2 PHE A2700 3.296 9.360 7.600 1.00 0.00 H new ATOM 0 HZ PHE A2700 4.062 8.873 5.312 1.00 0.00 H new