USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 449 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: A 12 MET CE :methyl -124:sc=-0.00955 (180deg=0) USER MOD Set 1.2: A 20 GLN : amide:sc= 0 X(o=-0.0095,f=-0.044) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS :FLIP no HD1:sc= -1.9 F(o=-4.9!,f=-1.9) USER MOD Single : A 25 GLN : amide:sc= -0.0175 X(o=-0.018,f=-0.35) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 165:sc= -0.0103 (180deg=-0.145) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 74:sc= 0.705 USER MOD Single : A 41 GLN : amide:sc= -6.47! C(o=-6.5!,f=-6.4!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -133:sc= 0.572 (180deg=-1.43) USER MOD Single : A 56 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00672) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 145:sc= 0.0943 (180deg=-0.218) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= -0.0182 (180deg=-0.17) USER MOD ----------------------------------------------------------------- ATOM 129 N PRO A 11 -0.494 1.123 -6.152 1.00 0.00 N ATOM 130 CA PRO A 11 -0.225 2.174 -5.166 1.00 0.00 C ATOM 131 C PRO A 11 -0.756 3.533 -5.609 1.00 0.00 C ATOM 132 O PRO A 11 -1.253 3.682 -6.725 1.00 0.00 O ATOM 133 CB PRO A 11 1.303 2.198 -5.081 1.00 0.00 C ATOM 134 CG PRO A 11 1.764 1.670 -6.395 1.00 0.00 C ATOM 135 CD PRO A 11 0.734 0.659 -6.819 1.00 0.00 C ATOM 0 HA PRO A 11 -0.715 1.974 -4.213 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.674 3.208 -4.908 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.663 1.581 -4.258 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.850 2.471 -7.129 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.749 1.211 -6.307 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.618 0.634 -7.903 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.006 -0.348 -6.504 1.00 0.00 H new ATOM 143 N MET A 12 -0.647 4.522 -4.727 1.00 0.00 N ATOM 144 CA MET A 12 -1.115 5.869 -5.029 1.00 0.00 C ATOM 145 C MET A 12 0.000 6.706 -5.649 1.00 0.00 C ATOM 146 O MET A 12 0.896 7.180 -4.950 1.00 0.00 O ATOM 147 CB MET A 12 -1.632 6.549 -3.760 1.00 0.00 C ATOM 148 CG MET A 12 -3.033 6.110 -3.363 1.00 0.00 C ATOM 149 SD MET A 12 -3.684 7.046 -1.967 1.00 0.00 S ATOM 150 CE MET A 12 -4.415 8.447 -2.810 1.00 0.00 C ATOM 0 H MET A 12 -0.239 4.415 -3.798 1.00 0.00 H new ATOM 0 HA MET A 12 -1.930 5.790 -5.749 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.947 6.337 -2.939 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.627 7.629 -3.908 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.701 6.226 -4.216 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.019 5.050 -3.110 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.992 9.371 -2.415 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.205 8.379 -3.877 1.00 0.00 H new ATOM 0 HE3 MET A 12 -5.493 8.445 -2.651 1.00 0.00 H new ATOM 160 N SER A 13 -0.061 6.883 -6.965 1.00 0.00 N ATOM 161 CA SER A 13 0.946 7.659 -7.679 1.00 0.00 C ATOM 162 C SER A 13 1.145 9.023 -7.026 1.00 0.00 C ATOM 163 O SER A 13 0.236 9.559 -6.393 1.00 0.00 O ATOM 164 CB SER A 13 0.539 7.837 -9.143 1.00 0.00 C ATOM 165 OG SER A 13 0.557 6.599 -9.832 1.00 0.00 O ATOM 0 H SER A 13 -0.797 6.500 -7.558 1.00 0.00 H new ATOM 0 HA SER A 13 1.888 7.113 -7.634 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.459 8.272 -9.196 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.218 8.537 -9.630 1.00 0.00 H new ATOM 0 HG SER A 13 0.292 6.740 -10.765 1.00 0.00 H new ATOM 171 N ALA A 14 2.342 9.578 -7.184 1.00 0.00 N ATOM 172 CA ALA A 14 2.662 10.880 -6.611 1.00 0.00 C ATOM 173 C ALA A 14 1.587 11.908 -6.950 1.00 0.00 C ATOM 174 O ALA A 14 1.268 12.777 -6.138 1.00 0.00 O ATOM 175 CB ALA A 14 4.021 11.354 -7.104 1.00 0.00 C ATOM 0 H ALA A 14 3.106 9.147 -7.704 1.00 0.00 H new ATOM 0 HA ALA A 14 2.698 10.773 -5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.247 12.327 -6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.786 10.637 -6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.005 11.438 -8.191 1.00 0.00 H new ATOM 181 N SER A 15 1.032 11.802 -8.153 1.00 0.00 N ATOM 182 CA SER A 15 -0.004 12.725 -8.600 1.00 0.00 C ATOM 183 C SER A 15 -1.271 12.567 -7.764 1.00 0.00 C ATOM 184 O SER A 15 -1.885 13.551 -7.356 1.00 0.00 O ATOM 185 CB SER A 15 -0.322 12.491 -10.078 1.00 0.00 C ATOM 186 OG SER A 15 -0.637 11.131 -10.323 1.00 0.00 O ATOM 0 H SER A 15 1.282 11.086 -8.835 1.00 0.00 H new ATOM 0 HA SER A 15 0.370 13.741 -8.472 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.160 13.121 -10.377 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.532 12.785 -10.688 1.00 0.00 H new ATOM 0 HG SER A 15 -0.838 11.008 -11.274 1.00 0.00 H new ATOM 192 N ALA A 16 -1.655 11.319 -7.515 1.00 0.00 N ATOM 193 CA ALA A 16 -2.846 11.030 -6.726 1.00 0.00 C ATOM 194 C ALA A 16 -2.736 11.625 -5.327 1.00 0.00 C ATOM 195 O ALA A 16 -3.585 12.414 -4.908 1.00 0.00 O ATOM 196 CB ALA A 16 -3.074 9.528 -6.646 1.00 0.00 C ATOM 0 H ALA A 16 -1.159 10.493 -7.848 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.700 11.491 -7.222 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.967 9.327 -6.054 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.207 9.126 -7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.212 9.054 -6.176 1.00 0.00 H new ATOM 202 N LEU A 17 -1.687 11.243 -4.607 1.00 0.00 N ATOM 203 CA LEU A 17 -1.467 11.739 -3.253 1.00 0.00 C ATOM 204 C LEU A 17 -1.641 13.254 -3.193 1.00 0.00 C ATOM 205 O LEU A 17 -2.495 13.762 -2.465 1.00 0.00 O ATOM 206 CB LEU A 17 -0.067 11.356 -2.770 1.00 0.00 C ATOM 207 CG LEU A 17 0.221 9.858 -2.667 1.00 0.00 C ATOM 208 CD1 LEU A 17 1.716 9.610 -2.534 1.00 0.00 C ATOM 209 CD2 LEU A 17 -0.530 9.250 -1.491 1.00 0.00 C ATOM 0 H LEU A 17 -0.976 10.591 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.209 11.280 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.663 11.800 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.093 11.805 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.126 9.377 -3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.902 8.538 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.230 10.010 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.088 10.104 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.313 8.183 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.214 9.735 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.601 9.395 -1.629 1.00 0.00 H new ATOM 221 N PHE A 18 -0.829 13.969 -3.963 1.00 0.00 N ATOM 222 CA PHE A 18 -0.894 15.425 -3.999 1.00 0.00 C ATOM 223 C PHE A 18 -2.335 15.901 -4.160 1.00 0.00 C ATOM 224 O PHE A 18 -2.753 16.874 -3.531 1.00 0.00 O ATOM 225 CB PHE A 18 -0.035 15.968 -5.143 1.00 0.00 C ATOM 226 CG PHE A 18 -0.130 17.457 -5.310 1.00 0.00 C ATOM 227 CD1 PHE A 18 -1.195 18.025 -5.991 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.845 18.291 -4.785 1.00 0.00 C ATOM 229 CE1 PHE A 18 -1.286 19.395 -6.147 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.759 19.662 -4.937 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.307 20.214 -5.619 1.00 0.00 C ATOM 0 H PHE A 18 -0.117 13.564 -4.571 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.508 15.804 -3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.006 15.696 -4.966 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.336 15.486 -6.073 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.963 17.389 -6.405 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.681 17.865 -4.251 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.121 19.825 -6.681 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.525 20.301 -4.523 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.375 21.285 -5.740 1.00 0.00 H new ATOM 241 N VAL A 19 -3.089 15.209 -5.008 1.00 0.00 N ATOM 242 CA VAL A 19 -4.483 15.560 -5.252 1.00 0.00 C ATOM 243 C VAL A 19 -5.335 15.326 -4.010 1.00 0.00 C ATOM 244 O VAL A 19 -5.929 16.258 -3.469 1.00 0.00 O ATOM 245 CB VAL A 19 -5.069 14.748 -6.423 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.543 15.073 -6.614 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.286 15.014 -7.700 1.00 0.00 C ATOM 0 H VAL A 19 -2.758 14.402 -5.537 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.502 16.619 -5.508 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.983 13.688 -6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.939 14.490 -7.445 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.091 14.827 -5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.656 16.135 -6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.714 14.432 -8.517 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.338 16.075 -7.944 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.245 14.725 -7.555 1.00 0.00 H new ATOM 257 N GLN A 20 -5.388 14.076 -3.562 1.00 0.00 N ATOM 258 CA GLN A 20 -6.167 13.720 -2.382 1.00 0.00 C ATOM 259 C GLN A 20 -5.788 14.597 -1.194 1.00 0.00 C ATOM 260 O GLN A 20 -6.538 14.703 -0.224 1.00 0.00 O ATOM 261 CB GLN A 20 -5.956 12.246 -2.031 1.00 0.00 C ATOM 262 CG GLN A 20 -6.724 11.798 -0.798 1.00 0.00 C ATOM 263 CD GLN A 20 -6.444 10.355 -0.428 1.00 0.00 C ATOM 264 OE1 GLN A 20 -7.340 9.511 -0.447 1.00 0.00 O ATOM 265 NE2 GLN A 20 -5.194 10.063 -0.088 1.00 0.00 N ATOM 0 H GLN A 20 -4.901 13.293 -3.998 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.220 13.885 -2.610 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.258 11.632 -2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.893 12.068 -1.871 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.462 12.442 0.042 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.792 11.923 -0.975 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.482 10.794 -0.086 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.946 9.108 0.171 1.00 0.00 H new ATOM 274 N ASP A 21 -4.619 15.223 -1.277 1.00 0.00 N ATOM 275 CA ASP A 21 -4.140 16.092 -0.208 1.00 0.00 C ATOM 276 C ASP A 21 -4.817 17.458 -0.274 1.00 0.00 C ATOM 277 O ASP A 21 -5.355 17.944 0.722 1.00 0.00 O ATOM 278 CB ASP A 21 -2.622 16.257 -0.298 1.00 0.00 C ATOM 279 CG ASP A 21 -1.876 15.076 0.292 1.00 0.00 C ATOM 280 OD1 ASP A 21 -2.234 13.925 -0.034 1.00 0.00 O ATOM 281 OD2 ASP A 21 -0.933 15.303 1.078 1.00 0.00 O ATOM 0 H ASP A 21 -3.986 15.145 -2.073 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.392 15.627 0.745 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.334 16.380 -1.342 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.327 17.167 0.224 1.00 0.00 H new ATOM 286 N HIS A 22 -4.786 18.072 -1.452 1.00 0.00 N ATOM 287 CA HIS A 22 -5.396 19.383 -1.647 1.00 0.00 C ATOM 288 C HIS A 22 -6.801 19.247 -2.227 1.00 0.00 C ATOM 289 O HIS A 22 -7.444 20.242 -2.560 1.00 0.00 O ATOM 290 CB HIS A 22 -4.531 20.239 -2.572 1.00 0.00 C ATOM 291 CG HIS A 22 -3.067 20.163 -2.264 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.405 19.540 -1.261 1.00 0.00 N flip ATOM 293 CD2 HIS A 22 -2.103 20.778 -3.034 1.00 0.00 C flip ATOM 294 CE1 HIS A 22 -1.066 19.787 -1.442 1.00 0.00 C flip ATOM 295 NE2 HIS A 22 -0.910 20.535 -2.519 1.00 0.00 N flip ATOM 0 H HIS A 22 -4.345 17.683 -2.286 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.468 19.871 -0.675 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.694 19.924 -3.603 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.855 21.277 -2.501 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.293 21.366 -3.920 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.270 19.428 -0.807 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.020 20.868 -2.890 1.00 0.00 H new ATOM 304 N ARG A 23 -7.270 18.009 -2.345 1.00 0.00 N ATOM 305 CA ARG A 23 -8.597 17.743 -2.886 1.00 0.00 C ATOM 306 C ARG A 23 -9.681 18.282 -1.956 1.00 0.00 C ATOM 307 O ARG A 23 -10.507 19.110 -2.340 1.00 0.00 O ATOM 308 CB ARG A 23 -8.793 16.241 -3.098 1.00 0.00 C ATOM 309 CG ARG A 23 -10.232 15.783 -2.922 1.00 0.00 C ATOM 310 CD ARG A 23 -10.492 14.472 -3.646 1.00 0.00 C ATOM 311 NE ARG A 23 -10.133 13.315 -2.830 1.00 0.00 N ATOM 312 CZ ARG A 23 -10.750 12.994 -1.698 1.00 0.00 C ATOM 313 NH1 ARG A 23 -11.752 13.739 -1.252 1.00 0.00 N ATOM 314 NH2 ARG A 23 -10.366 11.926 -1.011 1.00 0.00 N ATOM 0 H ARG A 23 -6.750 17.174 -2.073 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.679 18.252 -3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.457 15.977 -4.101 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.160 15.698 -2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.449 15.663 -1.861 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.908 16.550 -3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.546 14.411 -3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.922 14.452 -4.575 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.367 12.721 -3.147 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.050 14.560 -1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.224 13.491 -0.383 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.596 11.350 -1.352 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.841 11.681 -0.142 1.00 0.00 H new ATOM 328 N PRO A 24 -9.680 17.801 -0.704 1.00 0.00 N ATOM 329 CA PRO A 24 -10.656 18.221 0.306 1.00 0.00 C ATOM 330 C PRO A 24 -10.443 19.662 0.754 1.00 0.00 C ATOM 331 O PRO A 24 -11.395 20.435 0.860 1.00 0.00 O ATOM 332 CB PRO A 24 -10.402 17.256 1.467 1.00 0.00 C ATOM 333 CG PRO A 24 -8.983 16.833 1.304 1.00 0.00 C ATOM 334 CD PRO A 24 -8.724 16.812 -0.178 1.00 0.00 C ATOM 0 HA PRO A 24 -11.677 18.191 -0.076 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.562 17.743 2.429 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.077 16.401 1.426 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.309 17.526 1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.816 15.849 1.743 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.695 17.085 -0.410 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.895 15.823 -0.602 1.00 0.00 H new ATOM 342 N GLN A 25 -9.189 20.017 1.016 1.00 0.00 N ATOM 343 CA GLN A 25 -8.853 21.367 1.453 1.00 0.00 C ATOM 344 C GLN A 25 -9.515 22.409 0.558 1.00 0.00 C ATOM 345 O GLN A 25 -10.113 23.369 1.044 1.00 0.00 O ATOM 346 CB GLN A 25 -7.336 21.563 1.451 1.00 0.00 C ATOM 347 CG GLN A 25 -6.881 22.793 2.220 1.00 0.00 C ATOM 348 CD GLN A 25 -6.716 22.527 3.703 1.00 0.00 C ATOM 349 OE1 GLN A 25 -6.102 21.538 4.103 1.00 0.00 O ATOM 350 NE2 GLN A 25 -7.266 23.410 4.528 1.00 0.00 N ATOM 0 H GLN A 25 -8.390 19.389 0.933 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.227 21.498 2.468 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.863 20.680 1.881 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.989 21.640 0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.934 23.143 1.810 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.606 23.595 2.077 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.766 24.216 4.153 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.188 23.283 5.537 1.00 0.00 H new ATOM 359 N PHE A 26 -9.402 22.215 -0.751 1.00 0.00 N ATOM 360 CA PHE A 26 -9.988 23.139 -1.715 1.00 0.00 C ATOM 361 C PHE A 26 -11.504 23.202 -1.556 1.00 0.00 C ATOM 362 O PHE A 26 -12.072 24.269 -1.321 1.00 0.00 O ATOM 363 CB PHE A 26 -9.630 22.718 -3.141 1.00 0.00 C ATOM 364 CG PHE A 26 -9.964 23.755 -4.175 1.00 0.00 C ATOM 365 CD1 PHE A 26 -9.102 24.812 -4.417 1.00 0.00 C ATOM 366 CD2 PHE A 26 -11.140 23.673 -4.903 1.00 0.00 C ATOM 367 CE1 PHE A 26 -9.406 25.769 -5.368 1.00 0.00 C ATOM 368 CE2 PHE A 26 -11.449 24.626 -5.855 1.00 0.00 C ATOM 369 CZ PHE A 26 -10.581 25.676 -6.087 1.00 0.00 C ATOM 0 H PHE A 26 -8.910 21.426 -1.169 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.579 24.131 -1.524 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.563 22.499 -3.189 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.156 21.794 -3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -8.182 24.890 -3.857 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.823 22.855 -4.725 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -8.725 26.588 -5.548 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -12.368 24.550 -6.417 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.821 26.423 -6.829 1.00 0.00 H new ATOM 379 N LEU A 27 -12.154 22.051 -1.687 1.00 0.00 N ATOM 380 CA LEU A 27 -13.606 21.973 -1.559 1.00 0.00 C ATOM 381 C LEU A 27 -14.083 22.711 -0.312 1.00 0.00 C ATOM 382 O LEU A 27 -14.936 23.595 -0.391 1.00 0.00 O ATOM 383 CB LEU A 27 -14.055 20.511 -1.503 1.00 0.00 C ATOM 384 CG LEU A 27 -14.036 19.753 -2.830 1.00 0.00 C ATOM 385 CD1 LEU A 27 -13.816 18.267 -2.593 1.00 0.00 C ATOM 386 CD2 LEU A 27 -15.330 19.986 -3.596 1.00 0.00 C ATOM 0 H LEU A 27 -11.699 21.159 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.049 22.450 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.416 19.982 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.068 20.478 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.208 20.131 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.805 17.744 -3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.863 18.117 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.622 17.874 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.299 19.439 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.173 19.636 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.446 21.051 -3.799 1.00 0.00 H new ATOM 398 N ILE A 28 -13.524 22.344 0.837 1.00 0.00 N ATOM 399 CA ILE A 28 -13.890 22.974 2.099 1.00 0.00 C ATOM 400 C ILE A 28 -14.018 24.485 1.943 1.00 0.00 C ATOM 401 O ILE A 28 -15.041 25.071 2.296 1.00 0.00 O ATOM 402 CB ILE A 28 -12.858 22.669 3.201 1.00 0.00 C ATOM 403 CG1 ILE A 28 -12.829 21.169 3.501 1.00 0.00 C ATOM 404 CG2 ILE A 28 -13.177 23.461 4.460 1.00 0.00 C ATOM 405 CD1 ILE A 28 -11.636 20.741 4.327 1.00 0.00 C ATOM 0 H ILE A 28 -12.816 21.614 0.919 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.855 22.558 2.390 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.871 22.969 2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -13.743 20.894 4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.826 20.619 2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.439 23.234 5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.151 24.527 4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -14.170 23.190 4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.681 19.666 4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.718 20.984 3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.649 21.264 5.283 1.00 0.00 H new ATOM 417 N GLU A 29 -12.974 25.110 1.409 1.00 0.00 N ATOM 418 CA GLU A 29 -12.970 26.554 1.204 1.00 0.00 C ATOM 419 C GLU A 29 -13.987 26.955 0.139 1.00 0.00 C ATOM 420 O GLU A 29 -14.719 27.930 0.301 1.00 0.00 O ATOM 421 CB GLU A 29 -11.575 27.031 0.798 1.00 0.00 C ATOM 422 CG GLU A 29 -10.494 26.681 1.807 1.00 0.00 C ATOM 423 CD GLU A 29 -9.108 27.078 1.339 1.00 0.00 C ATOM 424 OE1 GLU A 29 -8.982 28.138 0.690 1.00 0.00 O ATOM 425 OE2 GLU A 29 -8.148 26.330 1.620 1.00 0.00 O ATOM 0 H GLU A 29 -12.120 24.639 1.110 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.248 27.029 2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.316 26.592 -0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.596 28.112 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.710 27.178 2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.515 25.608 1.999 1.00 0.00 H new ATOM 432 N ASN A 30 -14.025 26.195 -0.950 1.00 0.00 N ATOM 433 CA ASN A 30 -14.950 26.471 -2.043 1.00 0.00 C ATOM 434 C ASN A 30 -15.922 25.311 -2.239 1.00 0.00 C ATOM 435 O ASN A 30 -15.749 24.464 -3.115 1.00 0.00 O ATOM 436 CB ASN A 30 -14.179 26.729 -3.339 1.00 0.00 C ATOM 437 CG ASN A 30 -13.055 27.730 -3.154 1.00 0.00 C ATOM 438 OD1 ASN A 30 -13.286 28.939 -3.116 1.00 0.00 O ATOM 439 ND2 ASN A 30 -11.831 27.230 -3.038 1.00 0.00 N ATOM 0 H ASN A 30 -13.426 25.383 -1.099 1.00 0.00 H new ATOM 0 HA ASN A 30 -15.522 27.362 -1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.768 25.789 -3.707 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.867 27.096 -4.101 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.035 27.855 -2.911 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.687 26.221 -3.075 1.00 0.00 H new ATOM 446 N PRO A 31 -16.971 25.271 -1.404 1.00 0.00 N ATOM 447 CA PRO A 31 -17.992 24.221 -1.465 1.00 0.00 C ATOM 448 C PRO A 31 -18.864 24.333 -2.711 1.00 0.00 C ATOM 449 O PRO A 31 -19.605 23.410 -3.048 1.00 0.00 O ATOM 450 CB PRO A 31 -18.827 24.464 -0.205 1.00 0.00 C ATOM 451 CG PRO A 31 -18.640 25.910 0.101 1.00 0.00 C ATOM 452 CD PRO A 31 -17.241 26.247 -0.335 1.00 0.00 C ATOM 0 HA PRO A 31 -17.551 23.226 -1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.878 24.228 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -18.489 23.838 0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -19.372 26.519 -0.430 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.775 26.105 1.165 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -17.170 27.272 -0.699 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.530 26.151 0.486 1.00 0.00 H new ATOM 460 N LYS A 32 -18.770 25.470 -3.393 1.00 0.00 N ATOM 461 CA LYS A 32 -19.549 25.703 -4.604 1.00 0.00 C ATOM 462 C LYS A 32 -19.056 24.821 -5.746 1.00 0.00 C ATOM 463 O LYS A 32 -19.852 24.224 -6.472 1.00 0.00 O ATOM 464 CB LYS A 32 -19.468 27.176 -5.011 1.00 0.00 C ATOM 465 CG LYS A 32 -20.476 28.061 -4.299 1.00 0.00 C ATOM 466 CD LYS A 32 -20.110 28.258 -2.837 1.00 0.00 C ATOM 467 CE LYS A 32 -19.013 29.299 -2.673 1.00 0.00 C ATOM 468 NZ LYS A 32 -19.514 30.678 -2.932 1.00 0.00 N ATOM 0 H LYS A 32 -18.162 26.245 -3.128 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.587 25.447 -4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -18.464 27.546 -4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -19.623 27.256 -6.087 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -20.526 29.030 -4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -21.468 27.614 -4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -20.993 28.567 -2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -19.780 27.310 -2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -18.608 29.244 -1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -18.195 29.075 -3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -18.827 31.370 -2.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -19.639 30.815 -3.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -20.426 30.812 -2.451 1.00 0.00 H new ATOM 482 N THR A 33 -17.738 24.740 -5.899 1.00 0.00 N ATOM 483 CA THR A 33 -17.139 23.931 -6.953 1.00 0.00 C ATOM 484 C THR A 33 -17.508 22.460 -6.793 1.00 0.00 C ATOM 485 O THR A 33 -17.508 21.928 -5.683 1.00 0.00 O ATOM 486 CB THR A 33 -15.605 24.065 -6.961 1.00 0.00 C ATOM 487 OG1 THR A 33 -15.234 25.434 -7.160 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.992 23.205 -8.056 1.00 0.00 C ATOM 0 H THR A 33 -17.065 25.225 -5.306 1.00 0.00 H new ATOM 0 HA THR A 33 -17.534 24.302 -7.899 1.00 0.00 H new ATOM 0 HB THR A 33 -15.228 23.722 -5.997 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.257 25.511 -7.162 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.908 23.316 -8.042 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.252 22.160 -7.886 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.377 23.522 -9.025 1.00 0.00 H new ATOM 496 N SER A 34 -17.820 21.808 -7.908 1.00 0.00 N ATOM 497 CA SER A 34 -18.194 20.399 -7.891 1.00 0.00 C ATOM 498 C SER A 34 -17.024 19.532 -7.434 1.00 0.00 C ATOM 499 O SER A 34 -15.883 19.992 -7.370 1.00 0.00 O ATOM 500 CB SER A 34 -18.660 19.956 -9.279 1.00 0.00 C ATOM 501 OG SER A 34 -19.614 18.912 -9.188 1.00 0.00 O ATOM 0 H SER A 34 -17.821 22.233 -8.835 1.00 0.00 H new ATOM 0 HA SER A 34 -19.014 20.275 -7.184 1.00 0.00 H new ATOM 0 HB2 SER A 34 -19.094 20.804 -9.808 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.803 19.620 -9.864 1.00 0.00 H new ATOM 0 HG SER A 34 -19.897 18.648 -10.088 1.00 0.00 H new ATOM 507 N LEU A 35 -17.316 18.276 -7.117 1.00 0.00 N ATOM 508 CA LEU A 35 -16.289 17.343 -6.665 1.00 0.00 C ATOM 509 C LEU A 35 -15.217 17.154 -7.733 1.00 0.00 C ATOM 510 O LEU A 35 -14.043 17.448 -7.506 1.00 0.00 O ATOM 511 CB LEU A 35 -16.918 15.993 -6.314 1.00 0.00 C ATOM 512 CG LEU A 35 -15.949 14.819 -6.168 1.00 0.00 C ATOM 513 CD1 LEU A 35 -15.069 15.002 -4.941 1.00 0.00 C ATOM 514 CD2 LEU A 35 -16.712 13.505 -6.088 1.00 0.00 C ATOM 0 H LEU A 35 -18.255 17.880 -7.164 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.819 17.761 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.468 16.103 -5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -17.647 15.743 -7.085 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.307 14.791 -7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.386 14.157 -4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.495 15.924 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.694 15.057 -4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.007 12.680 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -17.378 13.523 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -17.298 13.369 -6.997 1.00 0.00 H new ATOM 526 N GLU A 36 -15.628 16.665 -8.898 1.00 0.00 N ATOM 527 CA GLU A 36 -14.702 16.439 -10.002 1.00 0.00 C ATOM 528 C GLU A 36 -13.920 17.709 -10.324 1.00 0.00 C ATOM 529 O GLU A 36 -12.689 17.721 -10.281 1.00 0.00 O ATOM 530 CB GLU A 36 -15.459 15.965 -11.244 1.00 0.00 C ATOM 531 CG GLU A 36 -15.877 14.506 -11.182 1.00 0.00 C ATOM 532 CD GLU A 36 -14.740 13.559 -11.514 1.00 0.00 C ATOM 533 OE1 GLU A 36 -14.395 13.441 -12.708 1.00 0.00 O ATOM 534 OE2 GLU A 36 -14.195 12.936 -10.578 1.00 0.00 O ATOM 0 H GLU A 36 -16.596 16.418 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.997 15.665 -9.698 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -16.347 16.583 -11.376 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -14.831 16.117 -12.122 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.252 14.281 -10.184 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.700 14.338 -11.877 1.00 0.00 H new ATOM 541 N ASP A 37 -14.642 18.776 -10.646 1.00 0.00 N ATOM 542 CA ASP A 37 -14.017 20.052 -10.975 1.00 0.00 C ATOM 543 C ASP A 37 -12.873 20.360 -10.014 1.00 0.00 C ATOM 544 O ASP A 37 -11.705 20.359 -10.404 1.00 0.00 O ATOM 545 CB ASP A 37 -15.052 21.178 -10.932 1.00 0.00 C ATOM 546 CG ASP A 37 -15.985 21.152 -12.127 1.00 0.00 C ATOM 547 OD1 ASP A 37 -16.599 20.094 -12.378 1.00 0.00 O ATOM 548 OD2 ASP A 37 -16.101 22.191 -12.810 1.00 0.00 O ATOM 0 H ASP A 37 -15.661 18.783 -10.686 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.611 19.980 -11.984 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.637 21.095 -10.016 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.538 22.139 -10.896 1.00 0.00 H new ATOM 553 N ALA A 38 -13.216 20.624 -8.758 1.00 0.00 N ATOM 554 CA ALA A 38 -12.218 20.933 -7.742 1.00 0.00 C ATOM 555 C ALA A 38 -10.961 20.090 -7.933 1.00 0.00 C ATOM 556 O ALA A 38 -9.851 20.537 -7.643 1.00 0.00 O ATOM 557 CB ALA A 38 -12.795 20.714 -6.351 1.00 0.00 C ATOM 0 H ALA A 38 -14.178 20.630 -8.419 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.941 21.982 -7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.038 20.949 -5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.659 21.363 -6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.101 19.673 -6.244 1.00 0.00 H new ATOM 563 N THR A 39 -11.142 18.868 -8.424 1.00 0.00 N ATOM 564 CA THR A 39 -10.023 17.962 -8.652 1.00 0.00 C ATOM 565 C THR A 39 -9.326 18.272 -9.972 1.00 0.00 C ATOM 566 O THR A 39 -8.097 18.324 -10.039 1.00 0.00 O ATOM 567 CB THR A 39 -10.483 16.492 -8.660 1.00 0.00 C ATOM 568 OG1 THR A 39 -11.451 16.276 -7.628 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.302 15.555 -8.460 1.00 0.00 C ATOM 0 H THR A 39 -12.053 18.483 -8.672 1.00 0.00 H new ATOM 0 HA THR A 39 -9.323 18.111 -7.830 1.00 0.00 H new ATOM 0 HB THR A 39 -10.934 16.280 -9.630 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.303 16.684 -7.888 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.651 14.522 -8.469 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.581 15.701 -9.264 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.826 15.769 -7.503 1.00 0.00 H new ATOM 577 N LEU A 40 -10.116 18.478 -11.019 1.00 0.00 N ATOM 578 CA LEU A 40 -9.574 18.784 -12.339 1.00 0.00 C ATOM 579 C LEU A 40 -8.485 19.847 -12.247 1.00 0.00 C ATOM 580 O LEU A 40 -7.400 19.688 -12.806 1.00 0.00 O ATOM 581 CB LEU A 40 -10.689 19.259 -13.272 1.00 0.00 C ATOM 582 CG LEU A 40 -11.896 18.329 -13.405 1.00 0.00 C ATOM 583 CD1 LEU A 40 -12.994 18.993 -14.220 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.484 17.008 -14.038 1.00 0.00 C ATOM 0 H LEU A 40 -11.135 18.439 -10.980 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.133 17.873 -12.744 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.040 20.229 -12.921 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.264 19.414 -14.264 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.285 18.125 -12.407 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.844 18.316 -14.304 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.309 19.912 -13.726 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.617 19.227 -15.216 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.355 16.359 -14.125 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.069 17.193 -15.029 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.732 16.525 -13.414 1.00 0.00 H new ATOM 596 N GLN A 41 -8.780 20.930 -11.535 1.00 0.00 N ATOM 597 CA GLN A 41 -7.825 22.019 -11.368 1.00 0.00 C ATOM 598 C GLN A 41 -6.578 21.540 -10.632 1.00 0.00 C ATOM 599 O GLN A 41 -5.454 21.853 -11.026 1.00 0.00 O ATOM 600 CB GLN A 41 -8.469 23.178 -10.607 1.00 0.00 C ATOM 601 CG GLN A 41 -8.400 23.026 -9.096 1.00 0.00 C ATOM 602 CD GLN A 41 -9.203 24.085 -8.365 1.00 0.00 C ATOM 603 OE1 GLN A 41 -8.647 24.919 -7.651 1.00 0.00 O ATOM 604 NE2 GLN A 41 -10.519 24.057 -8.542 1.00 0.00 N ATOM 0 H GLN A 41 -9.673 21.077 -11.064 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.529 22.365 -12.358 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.977 24.108 -10.893 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.513 23.264 -10.908 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.769 22.039 -8.817 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.359 23.080 -8.776 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.938 23.347 -9.143 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.111 24.745 -8.077 1.00 0.00 H new ATOM 613 N ILE A 42 -6.784 20.782 -9.561 1.00 0.00 N ATOM 614 CA ILE A 42 -5.676 20.260 -8.770 1.00 0.00 C ATOM 615 C ILE A 42 -4.756 19.390 -9.619 1.00 0.00 C ATOM 616 O ILE A 42 -3.545 19.356 -9.403 1.00 0.00 O ATOM 617 CB ILE A 42 -6.180 19.436 -7.570 1.00 0.00 C ATOM 618 CG1 ILE A 42 -6.872 20.346 -6.553 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.026 18.687 -6.920 1.00 0.00 C ATOM 620 CD1 ILE A 42 -7.804 19.607 -5.617 1.00 0.00 C ATOM 0 H ILE A 42 -7.708 20.515 -9.221 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.119 21.121 -8.401 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.906 18.706 -7.928 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.114 20.863 -5.965 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.437 21.110 -7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.398 18.109 -6.074 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.573 18.014 -7.648 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.279 19.401 -6.572 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.259 20.314 -4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.584 19.113 -6.196 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.240 18.861 -5.056 1.00 0.00 H new ATOM 632 N GLU A 43 -5.339 18.690 -10.587 1.00 0.00 N ATOM 633 CA GLU A 43 -4.570 17.821 -11.470 1.00 0.00 C ATOM 634 C GLU A 43 -3.566 18.628 -12.288 1.00 0.00 C ATOM 635 O GLU A 43 -2.368 18.346 -12.270 1.00 0.00 O ATOM 636 CB GLU A 43 -5.505 17.052 -12.406 1.00 0.00 C ATOM 637 CG GLU A 43 -6.109 15.808 -11.775 1.00 0.00 C ATOM 638 CD GLU A 43 -6.469 14.750 -12.800 1.00 0.00 C ATOM 639 OE1 GLU A 43 -7.174 15.085 -13.775 1.00 0.00 O ATOM 640 OE2 GLU A 43 -6.046 13.588 -12.628 1.00 0.00 O ATOM 0 H GLU A 43 -6.341 18.708 -10.780 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.022 17.111 -10.851 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.310 17.714 -12.727 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.953 16.764 -13.301 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.402 15.389 -11.059 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.003 16.086 -11.216 1.00 0.00 H new ATOM 647 N GLU A 44 -4.064 19.631 -13.004 1.00 0.00 N ATOM 648 CA GLU A 44 -3.210 20.477 -13.829 1.00 0.00 C ATOM 649 C GLU A 44 -2.238 21.276 -12.966 1.00 0.00 C ATOM 650 O GLU A 44 -1.139 21.619 -13.403 1.00 0.00 O ATOM 651 CB GLU A 44 -4.061 21.429 -14.673 1.00 0.00 C ATOM 652 CG GLU A 44 -4.856 22.427 -13.849 1.00 0.00 C ATOM 653 CD GLU A 44 -5.566 23.457 -14.706 1.00 0.00 C ATOM 654 OE1 GLU A 44 -5.067 23.757 -15.810 1.00 0.00 O ATOM 655 OE2 GLU A 44 -6.622 23.963 -14.272 1.00 0.00 O ATOM 0 H GLU A 44 -5.053 19.877 -13.029 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.634 19.831 -14.492 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.411 21.973 -15.359 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.749 20.844 -15.283 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.591 21.892 -13.247 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.186 22.936 -13.156 1.00 0.00 H new ATOM 662 N LEU A 45 -2.651 21.570 -11.738 1.00 0.00 N ATOM 663 CA LEU A 45 -1.818 22.329 -10.811 1.00 0.00 C ATOM 664 C LEU A 45 -0.628 21.497 -10.343 1.00 0.00 C ATOM 665 O LEU A 45 0.344 22.032 -9.809 1.00 0.00 O ATOM 666 CB LEU A 45 -2.644 22.783 -9.606 1.00 0.00 C ATOM 667 CG LEU A 45 -1.881 22.939 -8.290 1.00 0.00 C ATOM 668 CD1 LEU A 45 -0.991 24.171 -8.332 1.00 0.00 C ATOM 669 CD2 LEU A 45 -2.849 23.017 -7.119 1.00 0.00 C ATOM 0 H LEU A 45 -3.558 21.294 -11.361 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.440 23.207 -11.335 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.109 23.738 -9.849 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.450 22.066 -9.453 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.247 22.063 -8.153 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.456 24.266 -7.387 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.274 24.074 -9.147 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.604 25.058 -8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.289 23.128 -6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.509 23.875 -7.249 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.444 22.104 -7.077 1.00 0.00 H new ATOM 681 N TRP A 46 -0.711 20.188 -10.547 1.00 0.00 N ATOM 682 CA TRP A 46 0.361 19.282 -10.147 1.00 0.00 C ATOM 683 C TRP A 46 1.386 19.126 -11.265 1.00 0.00 C ATOM 684 O TRP A 46 2.574 18.928 -11.007 1.00 0.00 O ATOM 685 CB TRP A 46 -0.213 17.916 -9.770 1.00 0.00 C ATOM 686 CG TRP A 46 0.790 16.806 -9.859 1.00 0.00 C ATOM 687 CD1 TRP A 46 0.911 15.889 -10.864 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.811 16.495 -8.904 1.00 0.00 C ATOM 689 NE1 TRP A 46 1.946 15.027 -10.591 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.515 15.378 -9.396 1.00 0.00 C ATOM 691 CE3 TRP A 46 2.201 17.052 -7.683 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.583 14.810 -8.707 1.00 0.00 C ATOM 693 CZ3 TRP A 46 3.261 16.487 -7.001 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.943 15.376 -7.514 1.00 0.00 C ATOM 0 H TRP A 46 -1.509 19.729 -10.987 1.00 0.00 H new ATOM 0 HA TRP A 46 0.861 19.710 -9.278 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.604 17.962 -8.754 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.054 17.690 -10.425 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.286 15.847 -11.743 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.242 14.251 -11.183 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.683 17.909 -7.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.109 13.953 -9.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.569 16.909 -6.056 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.769 14.958 -6.957 1.00 0.00 H new ATOM 705 N LYS A 47 0.921 19.217 -12.506 1.00 0.00 N ATOM 706 CA LYS A 47 1.799 19.087 -13.663 1.00 0.00 C ATOM 707 C LYS A 47 2.565 20.382 -13.913 1.00 0.00 C ATOM 708 O LYS A 47 3.547 20.401 -14.656 1.00 0.00 O ATOM 709 CB LYS A 47 0.986 18.716 -14.906 1.00 0.00 C ATOM 710 CG LYS A 47 0.609 17.246 -14.969 1.00 0.00 C ATOM 711 CD LYS A 47 -0.483 16.994 -15.995 1.00 0.00 C ATOM 712 CE LYS A 47 -1.868 17.148 -15.385 1.00 0.00 C ATOM 713 NZ LYS A 47 -2.901 17.433 -16.419 1.00 0.00 N ATOM 0 H LYS A 47 -0.059 19.380 -12.737 1.00 0.00 H new ATOM 0 HA LYS A 47 2.518 18.294 -13.455 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.077 19.317 -14.928 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.560 18.974 -15.796 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.489 16.654 -15.220 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.271 16.914 -13.987 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.371 17.691 -16.826 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.374 15.990 -16.404 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.132 16.236 -14.849 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.855 17.955 -14.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.831 17.531 -15.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.663 18.316 -16.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.932 16.651 -17.104 1.00 0.00 H new ATOM 727 N THR A 48 2.113 21.463 -13.286 1.00 0.00 N ATOM 728 CA THR A 48 2.756 22.762 -13.439 1.00 0.00 C ATOM 729 C THR A 48 3.703 23.047 -12.279 1.00 0.00 C ATOM 730 O THR A 48 4.256 24.142 -12.171 1.00 0.00 O ATOM 731 CB THR A 48 1.718 23.896 -13.531 1.00 0.00 C ATOM 732 OG1 THR A 48 0.861 23.869 -12.384 1.00 0.00 O ATOM 733 CG2 THR A 48 0.884 23.765 -14.796 1.00 0.00 C ATOM 0 H THR A 48 1.303 21.465 -12.666 1.00 0.00 H new ATOM 0 HA THR A 48 3.325 22.725 -14.368 1.00 0.00 H new ATOM 0 HB THR A 48 2.252 24.846 -13.564 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.205 24.594 -12.449 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.158 24.577 -14.839 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.536 23.815 -15.668 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.360 22.809 -14.789 1.00 0.00 H new ATOM 741 N LEU A 49 3.885 22.056 -11.413 1.00 0.00 N ATOM 742 CA LEU A 49 4.767 22.200 -10.260 1.00 0.00 C ATOM 743 C LEU A 49 6.231 22.118 -10.680 1.00 0.00 C ATOM 744 O LEU A 49 6.540 21.895 -11.850 1.00 0.00 O ATOM 745 CB LEU A 49 4.460 21.121 -9.221 1.00 0.00 C ATOM 746 CG LEU A 49 3.352 21.448 -8.219 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.916 20.194 -7.477 1.00 0.00 C ATOM 748 CD2 LEU A 49 3.817 22.515 -7.239 1.00 0.00 C ATOM 0 H LEU A 49 3.434 21.144 -11.487 1.00 0.00 H new ATOM 0 HA LEU A 49 4.590 23.181 -9.819 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.188 20.206 -9.747 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.374 20.910 -8.665 1.00 0.00 H new ATOM 0 HG LEU A 49 2.495 21.837 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.127 20.446 -6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.542 19.460 -8.191 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.767 19.775 -6.939 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.016 22.735 -6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.690 22.154 -6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.079 23.421 -7.785 1.00 0.00 H new ATOM 760 N SER A 50 7.128 22.296 -9.716 1.00 0.00 N ATOM 761 CA SER A 50 8.561 22.243 -9.986 1.00 0.00 C ATOM 762 C SER A 50 9.056 20.800 -10.010 1.00 0.00 C ATOM 763 O SER A 50 8.294 19.867 -9.756 1.00 0.00 O ATOM 764 CB SER A 50 9.330 23.040 -8.930 1.00 0.00 C ATOM 765 OG SER A 50 9.250 24.432 -9.185 1.00 0.00 O ATOM 0 H SER A 50 6.889 22.478 -8.741 1.00 0.00 H new ATOM 0 HA SER A 50 8.738 22.686 -10.966 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.926 22.824 -7.941 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.374 22.728 -8.923 1.00 0.00 H new ATOM 0 HG SER A 50 9.748 24.920 -8.496 1.00 0.00 H new ATOM 771 N GLU A 51 10.337 20.626 -10.318 1.00 0.00 N ATOM 772 CA GLU A 51 10.934 19.297 -10.377 1.00 0.00 C ATOM 773 C GLU A 51 11.100 18.712 -8.977 1.00 0.00 C ATOM 774 O GLU A 51 10.431 17.746 -8.614 1.00 0.00 O ATOM 775 CB GLU A 51 12.291 19.353 -11.081 1.00 0.00 C ATOM 776 CG GLU A 51 12.985 18.005 -11.176 1.00 0.00 C ATOM 777 CD GLU A 51 13.879 17.724 -9.983 1.00 0.00 C ATOM 778 OE1 GLU A 51 14.139 18.665 -9.204 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.318 16.565 -9.830 1.00 0.00 O ATOM 0 H GLU A 51 10.981 21.388 -10.530 1.00 0.00 H new ATOM 0 HA GLU A 51 10.264 18.652 -10.945 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.153 19.752 -12.086 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.939 20.049 -10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.234 17.219 -11.256 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.581 17.971 -12.088 1.00 0.00 H new ATOM 786 N GLU A 52 11.997 19.307 -8.196 1.00 0.00 N ATOM 787 CA GLU A 52 12.252 18.844 -6.837 1.00 0.00 C ATOM 788 C GLU A 52 10.944 18.619 -6.085 1.00 0.00 C ATOM 789 O GLU A 52 10.896 17.861 -5.116 1.00 0.00 O ATOM 790 CB GLU A 52 13.118 19.856 -6.084 1.00 0.00 C ATOM 791 CG GLU A 52 12.526 21.255 -6.046 1.00 0.00 C ATOM 792 CD GLU A 52 12.905 22.082 -7.260 1.00 0.00 C ATOM 793 OE1 GLU A 52 13.535 21.525 -8.183 1.00 0.00 O ATOM 794 OE2 GLU A 52 12.572 23.285 -7.287 1.00 0.00 O ATOM 0 H GLU A 52 12.558 20.110 -8.481 1.00 0.00 H new ATOM 0 HA GLU A 52 12.784 17.895 -6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.266 19.506 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.101 19.899 -6.552 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.440 21.184 -5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.865 21.764 -5.144 1.00 0.00 H new ATOM 801 N GLU A 53 9.885 19.283 -6.538 1.00 0.00 N ATOM 802 CA GLU A 53 8.577 19.156 -5.907 1.00 0.00 C ATOM 803 C GLU A 53 7.954 17.797 -6.214 1.00 0.00 C ATOM 804 O GLU A 53 7.582 17.052 -5.307 1.00 0.00 O ATOM 805 CB GLU A 53 7.646 20.275 -6.381 1.00 0.00 C ATOM 806 CG GLU A 53 6.570 20.640 -5.373 1.00 0.00 C ATOM 807 CD GLU A 53 6.155 22.095 -5.463 1.00 0.00 C ATOM 808 OE1 GLU A 53 6.709 22.819 -6.317 1.00 0.00 O ATOM 809 OE2 GLU A 53 5.276 22.511 -4.679 1.00 0.00 O ATOM 0 H GLU A 53 9.908 19.914 -7.339 1.00 0.00 H new ATOM 0 HA GLU A 53 8.713 19.239 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.241 21.161 -6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.170 19.970 -7.313 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.697 20.007 -5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.934 20.432 -4.367 1.00 0.00 H new ATOM 816 N LYS A 54 7.843 17.481 -7.500 1.00 0.00 N ATOM 817 CA LYS A 54 7.266 16.213 -7.930 1.00 0.00 C ATOM 818 C LYS A 54 8.073 15.037 -7.388 1.00 0.00 C ATOM 819 O LYS A 54 7.516 13.992 -7.050 1.00 0.00 O ATOM 820 CB LYS A 54 7.210 16.146 -9.457 1.00 0.00 C ATOM 821 CG LYS A 54 6.369 17.245 -10.084 1.00 0.00 C ATOM 822 CD LYS A 54 6.032 16.933 -11.532 1.00 0.00 C ATOM 823 CE LYS A 54 4.729 16.157 -11.647 1.00 0.00 C ATOM 824 NZ LYS A 54 4.946 14.688 -11.526 1.00 0.00 N ATOM 0 H LYS A 54 8.145 18.086 -8.263 1.00 0.00 H new ATOM 0 HA LYS A 54 6.253 16.150 -7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.224 16.206 -9.852 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.808 15.178 -9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.448 17.369 -9.514 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.907 18.191 -10.031 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.954 17.862 -12.097 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.841 16.355 -11.979 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.040 16.488 -10.870 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.259 16.377 -12.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.430 14.197 -12.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.962 14.479 -11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.598 14.361 -10.602 1.00 0.00 H new ATOM 838 N LEU A 55 9.387 15.215 -7.307 1.00 0.00 N ATOM 839 CA LEU A 55 10.271 14.169 -6.805 1.00 0.00 C ATOM 840 C LEU A 55 9.894 13.774 -5.381 1.00 0.00 C ATOM 841 O LEU A 55 9.707 12.594 -5.081 1.00 0.00 O ATOM 842 CB LEU A 55 11.726 14.640 -6.847 1.00 0.00 C ATOM 843 CG LEU A 55 12.484 14.363 -8.146 1.00 0.00 C ATOM 844 CD1 LEU A 55 12.792 12.879 -8.278 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.686 14.853 -9.345 1.00 0.00 C ATOM 0 H LEU A 55 9.864 16.074 -7.582 1.00 0.00 H new ATOM 0 HA LEU A 55 10.159 13.295 -7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.745 15.714 -6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.265 14.165 -6.027 1.00 0.00 H new ATOM 0 HG LEU A 55 13.428 14.908 -8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.332 12.701 -9.208 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.405 12.558 -7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.860 12.313 -8.285 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.241 14.647 -10.260 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.726 14.337 -9.379 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.518 15.926 -9.256 1.00 0.00 H new ATOM 857 N LYS A 56 9.781 14.768 -4.507 1.00 0.00 N ATOM 858 CA LYS A 56 9.421 14.526 -3.115 1.00 0.00 C ATOM 859 C LYS A 56 8.355 13.441 -3.009 1.00 0.00 C ATOM 860 O LYS A 56 8.552 12.427 -2.338 1.00 0.00 O ATOM 861 CB LYS A 56 8.917 15.817 -2.465 1.00 0.00 C ATOM 862 CG LYS A 56 10.030 16.726 -1.973 1.00 0.00 C ATOM 863 CD LYS A 56 9.536 17.682 -0.901 1.00 0.00 C ATOM 864 CE LYS A 56 9.613 17.055 0.483 1.00 0.00 C ATOM 865 NZ LYS A 56 11.002 17.061 1.018 1.00 0.00 N ATOM 0 H LYS A 56 9.934 15.750 -4.738 1.00 0.00 H new ATOM 0 HA LYS A 56 10.313 14.186 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.306 16.362 -3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.270 15.562 -1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.845 16.122 -1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.434 17.295 -2.811 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.133 18.594 -0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.507 17.970 -1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.959 17.599 1.165 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.246 16.030 0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.114 16.285 1.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.676 16.934 0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.188 17.968 1.491 1.00 0.00 H new ATOM 879 N TYR A 57 7.227 13.659 -3.675 1.00 0.00 N ATOM 880 CA TYR A 57 6.129 12.700 -3.654 1.00 0.00 C ATOM 881 C TYR A 57 6.539 11.389 -4.319 1.00 0.00 C ATOM 882 O TYR A 57 6.374 10.313 -3.746 1.00 0.00 O ATOM 883 CB TYR A 57 4.903 13.281 -4.360 1.00 0.00 C ATOM 884 CG TYR A 57 4.058 14.169 -3.474 1.00 0.00 C ATOM 885 CD1 TYR A 57 4.401 15.498 -3.261 1.00 0.00 C ATOM 886 CD2 TYR A 57 2.918 13.678 -2.851 1.00 0.00 C ATOM 887 CE1 TYR A 57 3.633 16.313 -2.452 1.00 0.00 C ATOM 888 CE2 TYR A 57 2.143 14.486 -2.041 1.00 0.00 C ATOM 889 CZ TYR A 57 2.504 15.802 -1.845 1.00 0.00 C ATOM 890 OH TYR A 57 1.736 16.610 -1.038 1.00 0.00 O ATOM 0 H TYR A 57 7.049 14.492 -4.236 1.00 0.00 H new ATOM 0 HA TYR A 57 5.878 12.496 -2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.231 13.854 -5.227 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.287 12.463 -4.733 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.283 15.901 -3.736 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.632 12.647 -3.002 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.915 17.344 -2.296 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.259 14.089 -1.564 1.00 0.00 H new ATOM 0 HH TYR A 57 0.977 16.097 -0.689 1.00 0.00 H new ATOM 900 N GLU A 58 7.075 11.490 -5.531 1.00 0.00 N ATOM 901 CA GLU A 58 7.508 10.312 -6.274 1.00 0.00 C ATOM 902 C GLU A 58 8.075 9.254 -5.333 1.00 0.00 C ATOM 903 O GLU A 58 7.534 8.154 -5.222 1.00 0.00 O ATOM 904 CB GLU A 58 8.558 10.699 -7.318 1.00 0.00 C ATOM 905 CG GLU A 58 7.966 11.266 -8.597 1.00 0.00 C ATOM 906 CD GLU A 58 7.244 10.217 -9.421 1.00 0.00 C ATOM 907 OE1 GLU A 58 7.925 9.346 -10.001 1.00 0.00 O ATOM 908 OE2 GLU A 58 5.998 10.267 -9.484 1.00 0.00 O ATOM 0 H GLU A 58 7.220 12.374 -6.019 1.00 0.00 H new ATOM 0 HA GLU A 58 6.639 9.893 -6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.235 11.435 -6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.156 9.821 -7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.271 12.068 -8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.762 11.709 -9.196 1.00 0.00 H new ATOM 915 N GLU A 59 9.169 9.595 -4.659 1.00 0.00 N ATOM 916 CA GLU A 59 9.811 8.673 -3.729 1.00 0.00 C ATOM 917 C GLU A 59 8.772 7.952 -2.874 1.00 0.00 C ATOM 918 O GLU A 59 8.876 6.749 -2.634 1.00 0.00 O ATOM 919 CB GLU A 59 10.795 9.423 -2.829 1.00 0.00 C ATOM 920 CG GLU A 59 12.059 9.866 -3.547 1.00 0.00 C ATOM 921 CD GLU A 59 11.929 11.245 -4.162 1.00 0.00 C ATOM 922 OE1 GLU A 59 11.771 12.223 -3.401 1.00 0.00 O ATOM 923 OE2 GLU A 59 11.983 11.347 -5.406 1.00 0.00 O ATOM 0 H GLU A 59 9.629 10.502 -4.739 1.00 0.00 H new ATOM 0 HA GLU A 59 10.356 7.931 -4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.298 10.299 -2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.069 8.782 -1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.892 9.863 -2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.300 9.145 -4.328 1.00 0.00 H new ATOM 930 N LYS A 60 7.771 8.696 -2.417 1.00 0.00 N ATOM 931 CA LYS A 60 6.712 8.130 -1.589 1.00 0.00 C ATOM 932 C LYS A 60 5.977 7.019 -2.331 1.00 0.00 C ATOM 933 O LYS A 60 5.629 5.994 -1.746 1.00 0.00 O ATOM 934 CB LYS A 60 5.723 9.222 -1.174 1.00 0.00 C ATOM 935 CG LYS A 60 6.383 10.425 -0.524 1.00 0.00 C ATOM 936 CD LYS A 60 5.441 11.123 0.443 1.00 0.00 C ATOM 937 CE LYS A 60 4.604 12.180 -0.260 1.00 0.00 C ATOM 938 NZ LYS A 60 5.293 13.500 -0.296 1.00 0.00 N ATOM 0 H LYS A 60 7.670 9.693 -2.606 1.00 0.00 H new ATOM 0 HA LYS A 60 7.170 7.705 -0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.170 9.553 -2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.996 8.798 -0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.280 10.106 0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.701 11.127 -1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.785 10.387 0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.018 11.587 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.389 11.855 -1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.647 12.284 0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.066 13.986 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.974 14.080 0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.321 13.357 -0.232 1.00 0.00 H new ATOM 952 N ALA A 61 5.746 7.228 -3.623 1.00 0.00 N ATOM 953 CA ALA A 61 5.055 6.243 -4.445 1.00 0.00 C ATOM 954 C ALA A 61 5.896 4.982 -4.613 1.00 0.00 C ATOM 955 O ALA A 61 5.450 3.878 -4.298 1.00 0.00 O ATOM 956 CB ALA A 61 4.713 6.835 -5.804 1.00 0.00 C ATOM 0 H ALA A 61 6.028 8.071 -4.123 1.00 0.00 H new ATOM 0 HA ALA A 61 4.130 5.968 -3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.197 6.088 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.067 7.703 -5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.630 7.139 -6.309 1.00 0.00 H new ATOM 962 N THR A 62 7.117 5.152 -5.112 1.00 0.00 N ATOM 963 CA THR A 62 8.020 4.027 -5.323 1.00 0.00 C ATOM 964 C THR A 62 8.208 3.225 -4.041 1.00 0.00 C ATOM 965 O THR A 62 8.353 2.003 -4.077 1.00 0.00 O ATOM 966 CB THR A 62 9.397 4.500 -5.826 1.00 0.00 C ATOM 967 OG1 THR A 62 10.310 3.397 -5.863 1.00 0.00 O ATOM 968 CG2 THR A 62 9.953 5.596 -4.931 1.00 0.00 C ATOM 0 H THR A 62 7.503 6.058 -5.377 1.00 0.00 H new ATOM 0 HA THR A 62 7.562 3.392 -6.081 1.00 0.00 H new ATOM 0 HB THR A 62 9.274 4.903 -6.831 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.183 3.705 -6.185 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.926 5.914 -5.306 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.270 6.445 -4.929 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.062 5.216 -3.915 1.00 0.00 H new ATOM 976 N LYS A 63 8.203 3.919 -2.908 1.00 0.00 N ATOM 977 CA LYS A 63 8.371 3.271 -1.613 1.00 0.00 C ATOM 978 C LYS A 63 7.185 2.364 -1.300 1.00 0.00 C ATOM 979 O LYS A 63 7.272 1.487 -0.441 1.00 0.00 O ATOM 980 CB LYS A 63 8.528 4.321 -0.511 1.00 0.00 C ATOM 981 CG LYS A 63 9.378 3.854 0.658 1.00 0.00 C ATOM 982 CD LYS A 63 8.955 4.520 1.957 1.00 0.00 C ATOM 983 CE LYS A 63 7.815 3.766 2.624 1.00 0.00 C ATOM 984 NZ LYS A 63 8.271 2.474 3.206 1.00 0.00 N ATOM 0 H LYS A 63 8.084 4.931 -2.861 1.00 0.00 H new ATOM 0 HA LYS A 63 9.272 2.659 -1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.974 5.219 -0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.541 4.600 -0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.296 2.772 0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.426 4.077 0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.806 4.569 2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.646 5.546 1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.380 4.385 3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.028 3.578 1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.555 2.122 3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.407 1.779 2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.171 2.618 3.708 1.00 0.00 H new ATOM 998 N ASP A 64 6.080 2.580 -2.004 1.00 0.00 N ATOM 999 CA ASP A 64 4.877 1.780 -1.803 1.00 0.00 C ATOM 1000 C ASP A 64 4.668 0.813 -2.964 1.00 0.00 C ATOM 1001 O ASP A 64 3.785 -0.045 -2.919 1.00 0.00 O ATOM 1002 CB ASP A 64 3.655 2.688 -1.652 1.00 0.00 C ATOM 1003 CG ASP A 64 2.433 1.936 -1.161 1.00 0.00 C ATOM 1004 OD1 ASP A 64 2.606 0.907 -0.476 1.00 0.00 O ATOM 1005 OD2 ASP A 64 1.304 2.376 -1.464 1.00 0.00 O ATOM 0 H ASP A 64 5.992 3.302 -2.719 1.00 0.00 H new ATOM 0 HA ASP A 64 5.004 1.200 -0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.888 3.493 -0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.431 3.153 -2.612 1.00 0.00 H new ATOM 1010 N LEU A 65 5.484 0.957 -4.002 1.00 0.00 N ATOM 1011 CA LEU A 65 5.388 0.097 -5.176 1.00 0.00 C ATOM 1012 C LEU A 65 5.751 -1.343 -4.827 1.00 0.00 C ATOM 1013 O LEU A 65 5.156 -2.286 -5.347 1.00 0.00 O ATOM 1014 CB LEU A 65 6.305 0.612 -6.286 1.00 0.00 C ATOM 1015 CG LEU A 65 6.369 -0.241 -7.554 1.00 0.00 C ATOM 1016 CD1 LEU A 65 5.006 -0.298 -8.228 1.00 0.00 C ATOM 1017 CD2 LEU A 65 7.417 0.305 -8.512 1.00 0.00 C ATOM 0 H LEU A 65 6.220 1.661 -4.055 1.00 0.00 H new ATOM 0 HA LEU A 65 4.356 0.117 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.979 1.615 -6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.314 0.704 -5.883 1.00 0.00 H new ATOM 0 HG LEU A 65 6.656 -1.254 -7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.071 -0.909 -9.128 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.280 -0.736 -7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.690 0.710 -8.496 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.448 -0.314 -9.408 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.161 1.328 -8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.394 0.293 -8.028 1.00 0.00 H new