USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 434 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 Single : A 10 GLN : amide:sc= -0.624 K(o=-0.62,f=-1.7) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 138:sc= 0.299 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= -0.0205 (180deg=-0.22) USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= -0.048 (180deg=-0.298) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 74:sc= 0.446 USER MOD Single : A 42 SER OG : rot -108:sc= 0.774 USER MOD Single : A 43 SER OG : rot 180:sc= -0.733 USER MOD Single : A 46 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.8) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 50 LYS NZ :NH3+ -127:sc= 1.31 (180deg=-1.74!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= 0.357 (180deg=0.304) USER MOD ----------------------------------------------------------------- ATOM 117 N ARG A 9 6.288 11.598 5.130 1.00 0.00 N ATOM 118 CA ARG A 9 7.507 11.114 4.499 1.00 0.00 C ATOM 119 C ARG A 9 7.551 9.589 4.413 1.00 0.00 C ATOM 120 O ARG A 9 7.914 9.044 3.385 1.00 0.00 O ATOM 121 CB ARG A 9 8.727 11.647 5.258 1.00 0.00 C ATOM 122 CG ARG A 9 10.069 11.239 4.671 1.00 0.00 C ATOM 123 CD ARG A 9 11.216 11.883 5.436 1.00 0.00 C ATOM 124 NE ARG A 9 12.526 11.509 4.894 1.00 0.00 N ATOM 125 CZ ARG A 9 13.580 12.331 4.834 1.00 0.00 C ATOM 126 NH1 ARG A 9 13.483 13.585 5.270 1.00 0.00 N ATOM 127 NH2 ARG A 9 14.729 11.895 4.342 1.00 0.00 N ATOM 0 HA ARG A 9 7.522 11.487 3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.674 12.735 5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.676 11.299 6.290 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.169 10.154 4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.116 11.533 3.622 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.108 12.967 5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.161 11.588 6.484 1.00 0.00 H new ATOM 0 HE ARG A 9 12.641 10.560 4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.601 13.925 5.653 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.291 14.206 5.221 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.810 10.934 4.010 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.534 12.520 4.295 1.00 0.00 H new ATOM 141 N GLN A 10 7.165 8.915 5.485 1.00 0.00 N ATOM 142 CA GLN A 10 7.195 7.450 5.525 1.00 0.00 C ATOM 143 C GLN A 10 6.327 6.854 4.416 1.00 0.00 C ATOM 144 O GLN A 10 6.737 5.920 3.730 1.00 0.00 O ATOM 145 CB GLN A 10 6.730 6.946 6.902 1.00 0.00 C ATOM 146 CG GLN A 10 7.010 5.463 7.168 1.00 0.00 C ATOM 147 CD GLN A 10 6.014 4.515 6.514 1.00 0.00 C ATOM 148 OE1 GLN A 10 4.842 4.850 6.337 1.00 0.00 O ATOM 149 NE2 GLN A 10 6.472 3.320 6.163 1.00 0.00 N ATOM 0 H GLN A 10 6.826 9.353 6.342 1.00 0.00 H new ATOM 0 HA GLN A 10 8.222 7.125 5.360 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.219 7.539 7.675 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.658 7.122 6.996 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.012 5.224 6.811 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.006 5.291 8.244 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.450 3.080 6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.846 2.641 5.730 1.00 0.00 H new ATOM 158 N VAL A 11 5.148 7.413 4.241 1.00 0.00 N ATOM 159 CA VAL A 11 4.208 6.933 3.239 1.00 0.00 C ATOM 160 C VAL A 11 4.598 7.394 1.837 1.00 0.00 C ATOM 161 O VAL A 11 4.608 6.606 0.896 1.00 0.00 O ATOM 162 CB VAL A 11 2.768 7.400 3.573 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.809 7.147 2.414 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.279 6.696 4.825 1.00 0.00 C ATOM 0 H VAL A 11 4.812 8.208 4.784 1.00 0.00 H new ATOM 0 HA VAL A 11 4.240 5.844 3.256 1.00 0.00 H new ATOM 0 HB VAL A 11 2.793 8.476 3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.810 7.488 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.150 7.692 1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.780 6.080 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.267 7.027 5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.280 5.618 4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.939 6.936 5.659 1.00 0.00 H new ATOM 174 N CYS A 12 4.948 8.652 1.719 1.00 0.00 N ATOM 175 CA CYS A 12 5.285 9.233 0.422 1.00 0.00 C ATOM 176 C CYS A 12 6.594 8.632 -0.119 1.00 0.00 C ATOM 177 O CYS A 12 6.647 8.112 -1.249 1.00 0.00 O ATOM 178 CB CYS A 12 5.393 10.753 0.552 1.00 0.00 C ATOM 179 SG CYS A 12 5.239 11.662 -1.015 1.00 0.00 S ATOM 0 H CYS A 12 5.010 9.303 2.502 1.00 0.00 H new ATOM 0 HA CYS A 12 4.494 8.998 -0.290 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.619 11.101 1.236 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.353 10.998 1.006 1.00 0.00 H new ATOM 184 N TRP A 13 7.639 8.675 0.698 1.00 0.00 N ATOM 185 CA TRP A 13 8.922 8.111 0.323 1.00 0.00 C ATOM 186 C TRP A 13 8.805 6.600 0.232 1.00 0.00 C ATOM 187 O TRP A 13 9.447 5.966 -0.603 1.00 0.00 O ATOM 188 CB TRP A 13 10.004 8.519 1.333 1.00 0.00 C ATOM 189 CG TRP A 13 11.314 7.815 1.152 1.00 0.00 C ATOM 190 CD1 TRP A 13 11.847 6.861 1.969 1.00 0.00 C ATOM 191 CD2 TRP A 13 12.253 8.001 0.087 1.00 0.00 C ATOM 192 NE1 TRP A 13 13.059 6.447 1.483 1.00 0.00 N ATOM 193 CE2 TRP A 13 13.332 7.131 0.329 1.00 0.00 C ATOM 194 CE3 TRP A 13 12.287 8.819 -1.045 1.00 0.00 C ATOM 195 CZ2 TRP A 13 14.431 7.056 -0.517 1.00 0.00 C ATOM 196 CZ3 TRP A 13 13.381 8.741 -1.886 1.00 0.00 C ATOM 197 CH2 TRP A 13 14.438 7.865 -1.618 1.00 0.00 C ATOM 0 H TRP A 13 7.619 9.097 1.627 1.00 0.00 H new ATOM 0 HA TRP A 13 9.214 8.499 -0.653 1.00 0.00 H new ATOM 0 HB2 TRP A 13 10.169 9.594 1.257 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.636 8.324 2.340 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.381 6.487 2.868 1.00 0.00 H new ATOM 0 HE1 TRP A 13 13.660 5.743 1.911 1.00 0.00 H new ATOM 0 HE3 TRP A 13 11.475 9.498 -1.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 15.250 6.383 -0.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 13.420 9.367 -2.765 1.00 0.00 H new ATOM 0 HH2 TRP A 13 15.278 7.827 -2.296 1.00 0.00 H new ATOM 208 N GLY A 14 7.958 6.036 1.088 1.00 0.00 N ATOM 209 CA GLY A 14 7.718 4.612 1.071 1.00 0.00 C ATOM 210 C GLY A 14 7.153 4.167 -0.248 1.00 0.00 C ATOM 211 O GLY A 14 7.551 3.145 -0.778 1.00 0.00 O ATOM 0 H GLY A 14 7.432 6.548 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.650 4.082 1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.027 4.348 1.872 1.00 0.00 H new ATOM 215 N ALA A 15 6.233 4.954 -0.785 1.00 0.00 N ATOM 216 CA ALA A 15 5.639 4.675 -2.078 1.00 0.00 C ATOM 217 C ALA A 15 6.711 4.645 -3.151 1.00 0.00 C ATOM 218 O ALA A 15 6.722 3.772 -4.019 1.00 0.00 O ATOM 219 CB ALA A 15 4.592 5.726 -2.408 1.00 0.00 C ATOM 0 H ALA A 15 5.880 5.800 -0.337 1.00 0.00 H new ATOM 0 HA ALA A 15 5.156 3.699 -2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.152 5.508 -3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.813 5.715 -1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.060 6.710 -2.434 1.00 0.00 H new ATOM 225 N ARG A 16 7.628 5.597 -3.074 1.00 0.00 N ATOM 226 CA ARG A 16 8.723 5.671 -4.026 1.00 0.00 C ATOM 227 C ARG A 16 9.725 4.528 -3.812 1.00 0.00 C ATOM 228 O ARG A 16 10.313 4.024 -4.763 1.00 0.00 O ATOM 229 CB ARG A 16 9.395 7.049 -3.958 1.00 0.00 C ATOM 230 CG ARG A 16 10.613 7.238 -4.868 1.00 0.00 C ATOM 231 CD ARG A 16 10.425 6.637 -6.271 1.00 0.00 C ATOM 232 NE ARG A 16 9.087 6.857 -6.842 1.00 0.00 N ATOM 233 CZ ARG A 16 8.859 7.178 -8.115 1.00 0.00 C ATOM 234 NH1 ARG A 16 9.872 7.445 -8.928 1.00 0.00 N ATOM 235 NH2 ARG A 16 7.618 7.216 -8.573 1.00 0.00 N ATOM 0 H ARG A 16 7.635 6.328 -2.363 1.00 0.00 H new ATOM 0 HA ARG A 16 8.319 5.548 -5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.654 7.807 -4.211 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.701 7.233 -2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.825 8.303 -4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.483 6.780 -4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.170 7.066 -6.941 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.617 5.565 -6.225 1.00 0.00 H new ATOM 0 HE ARG A 16 8.282 6.757 -6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.830 7.405 -8.580 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.693 7.690 -9.902 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.838 7.000 -7.952 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.441 7.461 -9.547 1.00 0.00 H new ATOM 249 N ASP A 17 9.912 4.115 -2.577 1.00 0.00 N ATOM 250 CA ASP A 17 10.775 2.971 -2.302 1.00 0.00 C ATOM 251 C ASP A 17 10.097 1.704 -2.811 1.00 0.00 C ATOM 252 O ASP A 17 10.741 0.799 -3.350 1.00 0.00 O ATOM 253 CB ASP A 17 11.080 2.848 -0.809 1.00 0.00 C ATOM 254 CG ASP A 17 12.061 1.732 -0.518 1.00 0.00 C ATOM 255 OD1 ASP A 17 11.638 0.671 -0.021 1.00 0.00 O ATOM 256 OD2 ASP A 17 13.270 1.911 -0.803 1.00 0.00 O ATOM 0 H ASP A 17 9.488 4.542 -1.754 1.00 0.00 H new ATOM 0 HA ASP A 17 11.724 3.116 -2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.486 3.791 -0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.154 2.667 -0.264 1.00 0.00 H new ATOM 261 N GLU A 18 8.783 1.671 -2.661 1.00 0.00 N ATOM 262 CA GLU A 18 7.959 0.580 -3.140 1.00 0.00 C ATOM 263 C GLU A 18 7.893 0.565 -4.664 1.00 0.00 C ATOM 264 O GLU A 18 7.511 -0.436 -5.263 1.00 0.00 O ATOM 265 CB GLU A 18 6.559 0.629 -2.517 1.00 0.00 C ATOM 266 CG GLU A 18 6.534 0.182 -1.060 1.00 0.00 C ATOM 267 CD GLU A 18 5.143 0.173 -0.466 1.00 0.00 C ATOM 268 OE1 GLU A 18 4.330 -0.696 -0.858 1.00 0.00 O ATOM 269 OE2 GLU A 18 4.860 1.009 0.415 1.00 0.00 O ATOM 0 H GLU A 18 8.255 2.411 -2.198 1.00 0.00 H new ATOM 0 HA GLU A 18 8.426 -0.353 -2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.174 1.646 -2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.888 -0.005 -3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.961 -0.818 -0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.169 0.844 -0.472 1.00 0.00 H new ATOM 276 N TYR A 19 8.236 1.692 -5.287 1.00 0.00 N ATOM 277 CA TYR A 19 8.289 1.775 -6.743 1.00 0.00 C ATOM 278 C TYR A 19 9.192 0.674 -7.295 1.00 0.00 C ATOM 279 O TYR A 19 8.875 0.052 -8.310 1.00 0.00 O ATOM 280 CB TYR A 19 8.796 3.155 -7.192 1.00 0.00 C ATOM 281 CG TYR A 19 8.991 3.286 -8.691 1.00 0.00 C ATOM 282 CD1 TYR A 19 7.930 3.609 -9.524 1.00 0.00 C ATOM 283 CD2 TYR A 19 10.239 3.078 -9.267 1.00 0.00 C ATOM 284 CE1 TYR A 19 8.104 3.719 -10.890 1.00 0.00 C ATOM 285 CE2 TYR A 19 10.421 3.189 -10.630 1.00 0.00 C ATOM 286 CZ TYR A 19 9.351 3.508 -11.437 1.00 0.00 C ATOM 287 OH TYR A 19 9.530 3.607 -12.798 1.00 0.00 O ATOM 0 H TYR A 19 8.481 2.558 -4.806 1.00 0.00 H new ATOM 0 HA TYR A 19 7.281 1.638 -7.135 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.089 3.915 -6.861 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.743 3.362 -6.694 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.952 3.777 -9.098 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.079 2.825 -8.637 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.267 3.969 -11.526 1.00 0.00 H new ATOM 0 HE2 TYR A 19 11.397 3.027 -11.062 1.00 0.00 H new ATOM 0 HH TYR A 19 10.468 3.430 -13.018 1.00 0.00 H new ATOM 297 N TRP A 20 10.309 0.433 -6.621 1.00 0.00 N ATOM 298 CA TRP A 20 11.213 -0.633 -7.018 1.00 0.00 C ATOM 299 C TRP A 20 10.707 -1.968 -6.480 1.00 0.00 C ATOM 300 O TRP A 20 10.420 -2.889 -7.244 1.00 0.00 O ATOM 301 CB TRP A 20 12.640 -0.355 -6.535 1.00 0.00 C ATOM 302 CG TRP A 20 13.654 -1.321 -7.083 1.00 0.00 C ATOM 303 CD1 TRP A 20 13.772 -1.736 -8.380 1.00 0.00 C ATOM 304 CD2 TRP A 20 14.698 -1.981 -6.356 1.00 0.00 C ATOM 305 NE1 TRP A 20 14.814 -2.620 -8.500 1.00 0.00 N ATOM 306 CE2 TRP A 20 15.401 -2.787 -7.275 1.00 0.00 C ATOM 307 CE3 TRP A 20 15.106 -1.972 -5.020 1.00 0.00 C ATOM 308 CZ2 TRP A 20 16.486 -3.574 -6.897 1.00 0.00 C ATOM 309 CZ3 TRP A 20 16.183 -2.754 -4.648 1.00 0.00 C ATOM 310 CH2 TRP A 20 16.863 -3.544 -5.583 1.00 0.00 C ATOM 0 H TRP A 20 10.608 0.960 -5.800 1.00 0.00 H new ATOM 0 HA TRP A 20 11.239 -0.679 -8.107 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.922 0.658 -6.822 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.662 -0.396 -5.446 1.00 0.00 H new ATOM 0 HD1 TRP A 20 13.137 -1.415 -9.192 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.105 -3.079 -9.363 1.00 0.00 H new ATOM 0 HE3 TRP A 20 14.589 -1.365 -4.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.011 -4.186 -7.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.506 -2.756 -3.617 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.702 -4.142 -5.260 1.00 0.00 H new ATOM 321 N LYS A 21 10.588 -2.061 -5.163 1.00 0.00 N ATOM 322 CA LYS A 21 10.072 -3.264 -4.522 1.00 0.00 C ATOM 323 C LYS A 21 8.770 -2.947 -3.808 1.00 0.00 C ATOM 324 O LYS A 21 8.778 -2.429 -2.689 1.00 0.00 O ATOM 325 CB LYS A 21 11.082 -3.835 -3.524 1.00 0.00 C ATOM 326 CG LYS A 21 12.409 -4.255 -4.139 1.00 0.00 C ATOM 327 CD LYS A 21 13.331 -4.876 -3.095 1.00 0.00 C ATOM 328 CE LYS A 21 13.679 -3.885 -1.989 1.00 0.00 C ATOM 329 NZ LYS A 21 14.466 -4.513 -0.903 1.00 0.00 N ATOM 0 H LYS A 21 10.843 -1.315 -4.515 1.00 0.00 H new ATOM 0 HA LYS A 21 9.895 -4.012 -5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.273 -3.089 -2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.636 -4.698 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.230 -4.971 -4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.895 -3.388 -4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.850 -5.752 -2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.246 -5.220 -3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.245 -3.055 -2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.761 -3.467 -1.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.228 -3.869 -0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.845 -4.708 -0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.879 -5.404 -1.244 1.00 0.00 H new ATOM 343 N CYS A 22 7.660 -3.216 -4.469 1.00 0.00 N ATOM 344 CA CYS A 22 6.353 -2.952 -3.906 1.00 0.00 C ATOM 345 C CYS A 22 6.118 -3.774 -2.639 1.00 0.00 C ATOM 346 O CYS A 22 6.513 -4.939 -2.557 1.00 0.00 O ATOM 347 CB CYS A 22 5.285 -3.262 -4.958 1.00 0.00 C ATOM 348 SG CYS A 22 5.516 -4.886 -5.782 1.00 0.00 S ATOM 0 H CYS A 22 7.640 -3.621 -5.405 1.00 0.00 H new ATOM 0 HA CYS A 22 6.294 -1.901 -3.624 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.303 -3.240 -4.485 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.292 -2.476 -5.713 1.00 0.00 H new ATOM 353 N LEU A 23 5.451 -3.150 -1.664 1.00 0.00 N ATOM 354 CA LEU A 23 5.120 -3.780 -0.387 1.00 0.00 C ATOM 355 C LEU A 23 6.339 -4.388 0.316 1.00 0.00 C ATOM 356 O LEU A 23 6.213 -5.368 1.062 1.00 0.00 O ATOM 357 CB LEU A 23 4.014 -4.813 -0.565 1.00 0.00 C ATOM 358 CG LEU A 23 2.657 -4.247 -1.000 1.00 0.00 C ATOM 359 CD1 LEU A 23 1.608 -5.342 -1.057 1.00 0.00 C ATOM 360 CD2 LEU A 23 2.216 -3.135 -0.061 1.00 0.00 C ATOM 0 H LEU A 23 5.124 -2.187 -1.741 1.00 0.00 H new ATOM 0 HA LEU A 23 4.756 -2.988 0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.338 -5.545 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.882 -5.347 0.376 1.00 0.00 H new ATOM 0 HG LEU A 23 2.769 -3.830 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.654 -4.916 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.916 -6.104 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.500 -5.794 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.251 -2.746 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.126 -3.528 0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.954 -2.333 -0.075 1.00 0.00 H new ATOM 372 N ASP A 24 7.502 -3.760 0.113 1.00 0.00 N ATOM 373 CA ASP A 24 8.767 -4.171 0.753 1.00 0.00 C ATOM 374 C ASP A 24 8.657 -4.099 2.283 1.00 0.00 C ATOM 375 O ASP A 24 9.489 -4.633 3.010 1.00 0.00 O ATOM 376 CB ASP A 24 9.922 -3.287 0.255 1.00 0.00 C ATOM 377 CG ASP A 24 11.251 -3.598 0.925 1.00 0.00 C ATOM 378 OD1 ASP A 24 11.862 -4.640 0.603 1.00 0.00 O ATOM 379 OD2 ASP A 24 11.701 -2.785 1.766 1.00 0.00 O ATOM 0 H ASP A 24 7.598 -2.950 -0.500 1.00 0.00 H new ATOM 0 HA ASP A 24 8.971 -5.206 0.478 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.028 -3.413 -0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.671 -2.241 0.430 1.00 0.00 H new ATOM 384 N GLU A 25 7.630 -3.411 2.745 1.00 0.00 N ATOM 385 CA GLU A 25 7.360 -3.260 4.165 1.00 0.00 C ATOM 386 C GLU A 25 7.286 -4.613 4.867 1.00 0.00 C ATOM 387 O GLU A 25 8.063 -4.900 5.776 1.00 0.00 O ATOM 388 CB GLU A 25 6.021 -2.598 4.355 1.00 0.00 C ATOM 389 CG GLU A 25 5.769 -1.410 3.474 1.00 0.00 C ATOM 390 CD GLU A 25 4.482 -0.772 3.806 1.00 0.00 C ATOM 391 OE1 GLU A 25 3.444 -1.426 3.605 1.00 0.00 O ATOM 392 OE2 GLU A 25 4.488 0.380 4.273 1.00 0.00 O ATOM 0 H GLU A 25 6.955 -2.938 2.144 1.00 0.00 H new ATOM 0 HA GLU A 25 8.171 -2.666 4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.239 -3.336 4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.932 -2.285 5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.578 -0.688 3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.766 -1.721 2.429 1.00 0.00 H new ATOM 399 N ASN A 26 6.343 -5.451 4.418 1.00 0.00 N ATOM 400 CA ASN A 26 6.081 -6.738 5.082 1.00 0.00 C ATOM 401 C ASN A 26 6.186 -7.928 4.124 1.00 0.00 C ATOM 402 O ASN A 26 6.495 -9.036 4.546 1.00 0.00 O ATOM 403 CB ASN A 26 4.679 -6.731 5.719 1.00 0.00 C ATOM 404 CG ASN A 26 4.490 -5.639 6.760 1.00 0.00 C ATOM 405 OD1 ASN A 26 4.762 -5.838 7.941 1.00 0.00 O ATOM 406 ND2 ASN A 26 4.001 -4.486 6.330 1.00 0.00 N ATOM 0 H ASN A 26 5.753 -5.266 3.607 1.00 0.00 H new ATOM 0 HA ASN A 26 6.848 -6.856 5.848 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.933 -6.607 4.934 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.495 -7.700 6.183 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.838 -3.724 6.988 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.788 -4.360 5.341 1.00 0.00 H new ATOM 413 N LEU A 27 5.927 -7.688 2.836 1.00 0.00 N ATOM 414 CA LEU A 27 6.002 -8.738 1.787 1.00 0.00 C ATOM 415 C LEU A 27 5.027 -9.905 2.030 1.00 0.00 C ATOM 416 O LEU A 27 5.225 -10.999 1.496 1.00 0.00 O ATOM 417 CB LEU A 27 7.432 -9.295 1.626 1.00 0.00 C ATOM 418 CG LEU A 27 8.513 -8.305 1.181 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.030 -7.512 2.361 1.00 0.00 C ATOM 420 CD2 LEU A 27 9.649 -9.037 0.486 1.00 0.00 C ATOM 0 H LEU A 27 5.660 -6.770 2.481 1.00 0.00 H new ATOM 0 HA LEU A 27 5.707 -8.237 0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.738 -9.726 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.400 -10.110 0.903 1.00 0.00 H new ATOM 0 HG LEU A 27 8.069 -7.607 0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.797 -6.815 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.209 -6.957 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.457 -8.192 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.409 -8.319 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.091 -9.759 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.264 -9.558 -0.390 1.00 0.00 H new ATOM 432 N GLU A 28 3.974 -9.668 2.810 1.00 0.00 N ATOM 433 CA GLU A 28 2.975 -10.708 3.094 1.00 0.00 C ATOM 434 C GLU A 28 2.308 -11.203 1.805 1.00 0.00 C ATOM 435 O GLU A 28 2.109 -12.397 1.620 1.00 0.00 O ATOM 436 CB GLU A 28 1.898 -10.182 4.052 1.00 0.00 C ATOM 437 CG GLU A 28 2.431 -9.633 5.364 1.00 0.00 C ATOM 438 CD GLU A 28 3.095 -10.689 6.219 1.00 0.00 C ATOM 439 OE1 GLU A 28 2.385 -11.407 6.947 1.00 0.00 O ATOM 440 OE2 GLU A 28 4.334 -10.799 6.179 1.00 0.00 O ATOM 0 H GLU A 28 3.787 -8.770 3.257 1.00 0.00 H new ATOM 0 HA GLU A 28 3.499 -11.541 3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.334 -9.397 3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.198 -10.989 4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.148 -8.839 5.155 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.611 -9.183 5.923 1.00 0.00 H new ATOM 447 N ASP A 29 1.977 -10.274 0.921 1.00 0.00 N ATOM 448 CA ASP A 29 1.330 -10.601 -0.342 1.00 0.00 C ATOM 449 C ASP A 29 1.792 -9.649 -1.430 1.00 0.00 C ATOM 450 O ASP A 29 1.259 -8.548 -1.579 1.00 0.00 O ATOM 451 CB ASP A 29 -0.183 -10.522 -0.199 1.00 0.00 C ATOM 452 CG ASP A 29 -0.922 -11.030 -1.428 1.00 0.00 C ATOM 453 OD1 ASP A 29 -1.087 -10.257 -2.386 1.00 0.00 O ATOM 454 OD2 ASP A 29 -1.365 -12.200 -1.422 1.00 0.00 O ATOM 0 H ASP A 29 2.148 -9.278 1.057 1.00 0.00 H new ATOM 0 HA ASP A 29 1.607 -11.619 -0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.491 -11.103 0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.471 -9.488 -0.010 1.00 0.00 H new ATOM 459 N ALA A 30 2.817 -10.049 -2.142 1.00 0.00 N ATOM 460 CA ALA A 30 3.369 -9.251 -3.227 1.00 0.00 C ATOM 461 C ALA A 30 2.436 -9.208 -4.446 1.00 0.00 C ATOM 462 O ALA A 30 2.606 -8.379 -5.337 1.00 0.00 O ATOM 463 CB ALA A 30 4.746 -9.761 -3.618 1.00 0.00 C ATOM 0 H ALA A 30 3.297 -10.936 -1.991 1.00 0.00 H new ATOM 0 HA ALA A 30 3.465 -8.229 -2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.142 -9.152 -4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.414 -9.699 -2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.671 -10.798 -3.945 1.00 0.00 H new ATOM 469 N SER A 31 1.467 -10.102 -4.484 1.00 0.00 N ATOM 470 CA SER A 31 0.532 -10.167 -5.597 1.00 0.00 C ATOM 471 C SER A 31 -0.322 -8.905 -5.688 1.00 0.00 C ATOM 472 O SER A 31 -0.554 -8.374 -6.775 1.00 0.00 O ATOM 473 CB SER A 31 -0.358 -11.401 -5.468 1.00 0.00 C ATOM 474 OG SER A 31 0.398 -12.591 -5.632 1.00 0.00 O ATOM 0 H SER A 31 1.304 -10.797 -3.755 1.00 0.00 H new ATOM 0 HA SER A 31 1.113 -10.241 -6.516 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.842 -11.405 -4.491 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.150 -11.363 -6.216 1.00 0.00 H new ATOM 0 HG SER A 31 -0.192 -13.368 -5.544 1.00 0.00 H new ATOM 480 N GLN A 32 -0.758 -8.415 -4.550 1.00 0.00 N ATOM 481 CA GLN A 32 -1.604 -7.231 -4.496 1.00 0.00 C ATOM 482 C GLN A 32 -0.774 -5.959 -4.417 1.00 0.00 C ATOM 483 O GLN A 32 -1.316 -4.856 -4.317 1.00 0.00 O ATOM 484 CB GLN A 32 -2.556 -7.318 -3.306 1.00 0.00 C ATOM 485 CG GLN A 32 -3.560 -8.451 -3.420 1.00 0.00 C ATOM 486 CD GLN A 32 -4.302 -8.706 -2.130 1.00 0.00 C ATOM 487 OE1 GLN A 32 -3.754 -9.572 -1.306 1.00 0.00 O flip ATOM 488 NE2 GLN A 32 -5.355 -8.130 -1.878 1.00 0.00 N flip ATOM 0 H GLN A 32 -0.542 -8.818 -3.638 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.187 -7.192 -5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.974 -7.448 -2.393 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.093 -6.374 -3.210 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.277 -8.217 -4.207 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.042 -9.361 -3.722 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.745 -7.465 -2.546 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.841 -8.316 -1.000 1.00 0.00 H new ATOM 497 N CYS A 33 0.544 -6.111 -4.483 1.00 0.00 N ATOM 498 CA CYS A 33 1.453 -4.980 -4.344 1.00 0.00 C ATOM 499 C CYS A 33 1.250 -3.942 -5.430 1.00 0.00 C ATOM 500 O CYS A 33 1.479 -2.771 -5.203 1.00 0.00 O ATOM 501 CB CYS A 33 2.906 -5.431 -4.334 1.00 0.00 C ATOM 502 SG CYS A 33 3.643 -5.638 -5.989 1.00 0.00 S ATOM 0 H CYS A 33 1.007 -7.008 -4.632 1.00 0.00 H new ATOM 0 HA CYS A 33 1.218 -4.518 -3.385 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.495 -4.704 -3.776 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.976 -6.377 -3.798 1.00 0.00 H new ATOM 507 N LYS A 34 0.822 -4.373 -6.604 1.00 0.00 N ATOM 508 CA LYS A 34 0.614 -3.447 -7.701 1.00 0.00 C ATOM 509 C LYS A 34 -0.563 -2.530 -7.410 1.00 0.00 C ATOM 510 O LYS A 34 -0.528 -1.347 -7.721 1.00 0.00 O ATOM 511 CB LYS A 34 0.424 -4.197 -9.016 1.00 0.00 C ATOM 512 CG LYS A 34 1.653 -4.982 -9.438 1.00 0.00 C ATOM 513 CD LYS A 34 1.425 -5.723 -10.738 1.00 0.00 C ATOM 514 CE LYS A 34 2.675 -6.469 -11.176 1.00 0.00 C ATOM 515 NZ LYS A 34 3.805 -5.546 -11.465 1.00 0.00 N ATOM 0 H LYS A 34 0.614 -5.348 -6.820 1.00 0.00 H new ATOM 0 HA LYS A 34 1.504 -2.826 -7.802 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.420 -4.880 -8.919 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.169 -3.484 -9.800 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.498 -4.303 -9.550 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.917 -5.693 -8.655 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.602 -6.428 -10.618 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.130 -5.017 -11.514 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.971 -7.170 -10.395 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.452 -7.058 -12.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.542 -6.054 -11.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.462 -4.744 -12.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.202 -5.193 -10.571 1.00 0.00 H new ATOM 529 N LYS A 35 -1.582 -3.068 -6.782 1.00 0.00 N ATOM 530 CA LYS A 35 -2.742 -2.279 -6.415 1.00 0.00 C ATOM 531 C LYS A 35 -2.396 -1.336 -5.270 1.00 0.00 C ATOM 532 O LYS A 35 -2.732 -0.150 -5.303 1.00 0.00 O ATOM 533 CB LYS A 35 -3.903 -3.192 -6.026 1.00 0.00 C ATOM 534 CG LYS A 35 -4.422 -4.031 -7.179 1.00 0.00 C ATOM 535 CD LYS A 35 -5.411 -5.083 -6.712 1.00 0.00 C ATOM 536 CE LYS A 35 -5.937 -5.904 -7.881 1.00 0.00 C ATOM 537 NZ LYS A 35 -4.837 -6.521 -8.671 1.00 0.00 N ATOM 0 H LYS A 35 -1.634 -4.050 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.047 -1.682 -7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.582 -3.853 -5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.718 -2.584 -5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.901 -3.383 -7.913 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.585 -4.517 -7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.930 -5.742 -5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.243 -4.601 -6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.597 -6.687 -7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.536 -5.266 -8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.226 -7.262 -9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.377 -5.792 -9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.138 -6.940 -8.025 1.00 0.00 H new ATOM 551 N LEU A 36 -1.691 -1.860 -4.275 1.00 0.00 N ATOM 552 CA LEU A 36 -1.318 -1.071 -3.108 1.00 0.00 C ATOM 553 C LEU A 36 -0.276 0.004 -3.473 1.00 0.00 C ATOM 554 O LEU A 36 -0.383 1.152 -3.040 1.00 0.00 O ATOM 555 CB LEU A 36 -0.812 -1.981 -1.967 1.00 0.00 C ATOM 556 CG LEU A 36 -1.750 -3.150 -1.566 1.00 0.00 C ATOM 557 CD1 LEU A 36 -1.404 -3.686 -0.187 1.00 0.00 C ATOM 558 CD2 LEU A 36 -3.205 -2.728 -1.620 1.00 0.00 C ATOM 0 H LEU A 36 -1.366 -2.827 -4.253 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.209 -0.555 -2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.151 -2.398 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.636 -1.363 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.600 -3.951 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.079 -4.504 0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.376 -4.050 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.508 -2.889 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.838 -3.568 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.369 -1.899 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.455 -2.413 -2.633 1.00 0.00 H new ATOM 570 N ARG A 37 0.727 -0.370 -4.283 1.00 0.00 N ATOM 571 CA ARG A 37 1.743 0.590 -4.745 1.00 0.00 C ATOM 572 C ARG A 37 1.075 1.717 -5.532 1.00 0.00 C ATOM 573 O ARG A 37 1.447 2.885 -5.410 1.00 0.00 O ATOM 574 CB ARG A 37 2.789 -0.101 -5.643 1.00 0.00 C ATOM 575 CG ARG A 37 3.977 0.786 -6.003 1.00 0.00 C ATOM 576 CD ARG A 37 4.785 0.227 -7.167 1.00 0.00 C ATOM 577 NE ARG A 37 3.998 0.085 -8.403 1.00 0.00 N ATOM 578 CZ ARG A 37 4.282 0.699 -9.566 1.00 0.00 C ATOM 579 NH1 ARG A 37 5.214 1.640 -9.618 1.00 0.00 N ATOM 580 NH2 ARG A 37 3.595 0.399 -10.662 1.00 0.00 N ATOM 0 H ARG A 37 0.856 -1.321 -4.629 1.00 0.00 H new ATOM 0 HA ARG A 37 2.246 0.996 -3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.155 -0.994 -5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.304 -0.432 -6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.619 1.783 -6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.624 0.893 -5.133 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.635 0.882 -7.358 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.189 -0.746 -6.887 1.00 0.00 H new ATOM 0 HE ARG A 37 3.179 -0.522 -8.376 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.721 1.903 -8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.424 2.101 -10.503 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.851 -0.298 -10.623 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.811 0.865 -11.543 1.00 0.00 H new ATOM 594 N SER A 38 0.078 1.348 -6.327 1.00 0.00 N ATOM 595 CA SER A 38 -0.651 2.296 -7.154 1.00 0.00 C ATOM 596 C SER A 38 -1.358 3.347 -6.298 1.00 0.00 C ATOM 597 O SER A 38 -1.319 4.542 -6.609 1.00 0.00 O ATOM 598 CB SER A 38 -1.667 1.557 -8.034 1.00 0.00 C ATOM 599 OG SER A 38 -2.310 2.438 -8.942 1.00 0.00 O ATOM 0 H SER A 38 -0.246 0.385 -6.415 1.00 0.00 H new ATOM 0 HA SER A 38 0.067 2.810 -7.793 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.162 0.767 -8.589 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.414 1.076 -7.403 1.00 0.00 H new ATOM 0 HG SER A 38 -2.950 1.935 -9.488 1.00 0.00 H new ATOM 605 N SER A 39 -1.991 2.905 -5.222 1.00 0.00 N ATOM 606 CA SER A 39 -2.706 3.809 -4.340 1.00 0.00 C ATOM 607 C SER A 39 -1.730 4.688 -3.548 1.00 0.00 C ATOM 608 O SER A 39 -2.035 5.832 -3.218 1.00 0.00 O ATOM 609 CB SER A 39 -3.590 3.013 -3.386 1.00 0.00 C ATOM 610 OG SER A 39 -4.365 2.048 -4.088 1.00 0.00 O ATOM 0 H SER A 39 -2.023 1.925 -4.940 1.00 0.00 H new ATOM 0 HA SER A 39 -3.332 4.461 -4.949 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.969 2.514 -2.642 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.251 3.692 -2.846 1.00 0.00 H new ATOM 0 HG SER A 39 -3.789 1.304 -4.364 1.00 0.00 H new ATOM 616 N PHE A 40 -0.555 4.146 -3.272 1.00 0.00 N ATOM 617 CA PHE A 40 0.465 4.854 -2.514 1.00 0.00 C ATOM 618 C PHE A 40 1.103 5.980 -3.335 1.00 0.00 C ATOM 619 O PHE A 40 1.179 7.117 -2.884 1.00 0.00 O ATOM 620 CB PHE A 40 1.531 3.874 -2.021 1.00 0.00 C ATOM 621 CG PHE A 40 1.657 3.826 -0.524 1.00 0.00 C ATOM 622 CD1 PHE A 40 0.532 3.742 0.277 1.00 0.00 C ATOM 623 CD2 PHE A 40 2.901 3.866 0.081 1.00 0.00 C ATOM 624 CE1 PHE A 40 0.645 3.703 1.651 1.00 0.00 C ATOM 625 CE2 PHE A 40 3.022 3.825 1.454 1.00 0.00 C ATOM 626 CZ PHE A 40 1.891 3.744 2.240 1.00 0.00 C ATOM 0 H PHE A 40 -0.282 3.208 -3.565 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.018 5.315 -1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.294 2.876 -2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.494 4.151 -2.450 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.446 3.707 -0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.789 3.930 -0.530 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.241 3.640 2.265 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.999 3.856 1.913 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.982 3.713 3.316 1.00 0.00 H new ATOM 636 N GLU A 41 1.541 5.667 -4.545 1.00 0.00 N ATOM 637 CA GLU A 41 2.172 6.673 -5.418 1.00 0.00 C ATOM 638 C GLU A 41 1.135 7.589 -6.032 1.00 0.00 C ATOM 639 O GLU A 41 1.466 8.537 -6.745 1.00 0.00 O ATOM 640 CB GLU A 41 2.983 6.011 -6.519 1.00 0.00 C ATOM 641 CG GLU A 41 4.059 5.103 -6.001 1.00 0.00 C ATOM 642 CD GLU A 41 5.144 4.851 -7.024 1.00 0.00 C ATOM 643 OE1 GLU A 41 6.133 5.612 -7.042 1.00 0.00 O ATOM 644 OE2 GLU A 41 5.004 3.900 -7.832 1.00 0.00 O ATOM 0 H GLU A 41 1.477 4.734 -4.952 1.00 0.00 H new ATOM 0 HA GLU A 41 2.842 7.266 -4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.313 5.439 -7.160 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.437 6.783 -7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.502 5.542 -5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.616 4.152 -5.704 1.00 0.00 H new ATOM 651 N SER A 42 -0.111 7.295 -5.746 1.00 0.00 N ATOM 652 CA SER A 42 -1.247 8.028 -6.301 1.00 0.00 C ATOM 653 C SER A 42 -1.155 9.533 -6.012 1.00 0.00 C ATOM 654 O SER A 42 -1.582 10.348 -6.827 1.00 0.00 O ATOM 655 CB SER A 42 -2.567 7.457 -5.763 1.00 0.00 C ATOM 656 OG SER A 42 -3.685 7.938 -6.494 1.00 0.00 O ATOM 0 H SER A 42 -0.377 6.537 -5.118 1.00 0.00 H new ATOM 0 HA SER A 42 -1.221 7.902 -7.383 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.540 6.369 -5.814 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.677 7.724 -4.712 1.00 0.00 H new ATOM 0 HG SER A 42 -4.188 8.573 -5.943 1.00 0.00 H new ATOM 662 N SER A 43 -0.599 9.899 -4.864 1.00 0.00 N ATOM 663 CA SER A 43 -0.453 11.306 -4.536 1.00 0.00 C ATOM 664 C SER A 43 0.789 11.547 -3.676 1.00 0.00 C ATOM 665 O SER A 43 1.858 11.847 -4.211 1.00 0.00 O ATOM 666 CB SER A 43 -1.717 11.825 -3.830 1.00 0.00 C ATOM 667 OG SER A 43 -1.631 13.213 -3.556 1.00 0.00 O ATOM 0 H SER A 43 -0.248 9.252 -4.158 1.00 0.00 H new ATOM 0 HA SER A 43 -0.324 11.860 -5.466 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.589 11.631 -4.455 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.864 11.278 -2.898 1.00 0.00 H new ATOM 0 HG SER A 43 -2.451 13.510 -3.109 1.00 0.00 H new ATOM 673 N CYS A 44 0.643 11.363 -2.355 1.00 0.00 N ATOM 674 CA CYS A 44 1.735 11.562 -1.385 1.00 0.00 C ATOM 675 C CYS A 44 1.183 11.563 0.068 1.00 0.00 C ATOM 676 O CYS A 44 1.658 10.798 0.908 1.00 0.00 O ATOM 677 CB CYS A 44 2.526 12.868 -1.664 1.00 0.00 C ATOM 678 SG CYS A 44 3.946 13.159 -0.557 1.00 0.00 S ATOM 0 H CYS A 44 -0.236 11.072 -1.927 1.00 0.00 H new ATOM 0 HA CYS A 44 2.427 10.728 -1.500 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.885 12.845 -2.693 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.843 13.713 -1.584 1.00 0.00 H new ATOM 683 N PRO A 45 0.158 12.424 0.389 1.00 0.00 N ATOM 684 CA PRO A 45 -0.440 12.469 1.736 1.00 0.00 C ATOM 685 C PRO A 45 -1.189 11.177 2.077 1.00 0.00 C ATOM 686 O PRO A 45 -2.055 10.725 1.320 1.00 0.00 O ATOM 687 CB PRO A 45 -1.421 13.647 1.659 1.00 0.00 C ATOM 688 CG PRO A 45 -1.727 13.791 0.211 1.00 0.00 C ATOM 689 CD PRO A 45 -0.469 13.419 -0.512 1.00 0.00 C ATOM 0 HA PRO A 45 0.317 12.581 2.512 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.324 13.449 2.236 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.978 14.558 2.062 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.552 13.141 -0.081 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.026 14.812 -0.026 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.679 12.996 -1.494 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.176 14.284 -0.668 1.00 0.00 H new ATOM 697 N GLN A 46 -0.865 10.605 3.231 1.00 0.00 N ATOM 698 CA GLN A 46 -1.448 9.334 3.662 1.00 0.00 C ATOM 699 C GLN A 46 -2.950 9.428 3.886 1.00 0.00 C ATOM 700 O GLN A 46 -3.658 8.454 3.682 1.00 0.00 O ATOM 701 CB GLN A 46 -0.770 8.839 4.936 1.00 0.00 C ATOM 702 CG GLN A 46 -1.248 7.467 5.373 1.00 0.00 C ATOM 703 CD GLN A 46 -0.645 7.014 6.679 1.00 0.00 C ATOM 704 OE1 GLN A 46 -0.340 7.822 7.550 1.00 0.00 O ATOM 705 NE2 GLN A 46 -0.460 5.718 6.815 1.00 0.00 N ATOM 0 H GLN A 46 -0.197 11.003 3.891 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.278 8.622 2.854 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.308 8.808 4.778 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.954 9.553 5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.334 7.481 5.468 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.005 6.741 4.597 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.729 5.083 6.064 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.048 5.349 7.672 1.00 0.00 H new ATOM 714 N GLN A 47 -3.420 10.592 4.309 1.00 0.00 N ATOM 715 CA GLN A 47 -4.842 10.803 4.582 1.00 0.00 C ATOM 716 C GLN A 47 -5.710 10.315 3.418 1.00 0.00 C ATOM 717 O GLN A 47 -6.521 9.403 3.578 1.00 0.00 O ATOM 718 CB GLN A 47 -5.108 12.282 4.863 1.00 0.00 C ATOM 719 CG GLN A 47 -6.536 12.589 5.277 1.00 0.00 C ATOM 720 CD GLN A 47 -6.741 14.055 5.593 1.00 0.00 C ATOM 721 OE1 GLN A 47 -5.818 14.743 6.032 1.00 0.00 O ATOM 722 NE2 GLN A 47 -7.944 14.542 5.381 1.00 0.00 N ATOM 0 H GLN A 47 -2.837 11.412 4.473 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.109 10.220 5.463 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.433 12.618 5.650 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.868 12.859 3.970 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.215 12.294 4.477 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.795 11.992 6.151 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.681 13.939 5.016 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.140 15.523 5.581 1.00 0.00 H new ATOM 731 N TRP A 48 -5.512 10.904 2.248 1.00 0.00 N ATOM 732 CA TRP A 48 -6.277 10.523 1.072 1.00 0.00 C ATOM 733 C TRP A 48 -5.879 9.135 0.585 1.00 0.00 C ATOM 734 O TRP A 48 -6.742 8.310 0.260 1.00 0.00 O ATOM 735 CB TRP A 48 -6.086 11.543 -0.050 1.00 0.00 C ATOM 736 CG TRP A 48 -6.858 11.204 -1.289 1.00 0.00 C ATOM 737 CD1 TRP A 48 -8.212 11.208 -1.428 1.00 0.00 C ATOM 738 CD2 TRP A 48 -6.325 10.802 -2.556 1.00 0.00 C ATOM 739 NE1 TRP A 48 -8.555 10.848 -2.706 1.00 0.00 N ATOM 740 CE2 TRP A 48 -7.416 10.591 -3.418 1.00 0.00 C ATOM 741 CE3 TRP A 48 -5.033 10.604 -3.046 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -7.256 10.192 -4.741 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -4.875 10.206 -4.361 1.00 0.00 C ATOM 744 CH2 TRP A 48 -5.982 10.005 -5.193 1.00 0.00 C ATOM 0 H TRP A 48 -4.830 11.645 2.089 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.330 10.502 1.354 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.393 12.527 0.305 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.026 11.610 -0.296 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.914 11.458 -0.646 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -9.507 10.782 -3.067 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.174 10.759 -2.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.108 10.036 -5.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.881 10.048 -4.752 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -5.825 9.695 -6.216 1.00 0.00 H new ATOM 755 N ILE A 49 -4.572 8.884 0.543 1.00 0.00 N ATOM 756 CA ILE A 49 -4.039 7.607 0.083 1.00 0.00 C ATOM 757 C ILE A 49 -4.651 6.449 0.847 1.00 0.00 C ATOM 758 O ILE A 49 -5.333 5.613 0.269 1.00 0.00 O ATOM 759 CB ILE A 49 -2.497 7.557 0.226 1.00 0.00 C ATOM 760 CG1 ILE A 49 -1.837 8.422 -0.845 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.975 6.120 0.159 1.00 0.00 C ATOM 762 CD1 ILE A 49 -0.344 8.554 -0.674 1.00 0.00 C ATOM 0 H ILE A 49 -3.858 9.556 0.825 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.300 7.515 -0.971 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.237 7.955 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.046 7.995 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.286 9.415 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.890 6.122 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.416 5.535 0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.247 5.678 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.059 9.181 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.127 9.009 0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.116 7.567 -0.722 1.00 0.00 H new ATOM 774 N LYS A 50 -4.446 6.432 2.151 1.00 0.00 N ATOM 775 CA LYS A 50 -4.919 5.347 2.973 1.00 0.00 C ATOM 776 C LYS A 50 -6.428 5.304 3.073 1.00 0.00 C ATOM 777 O LYS A 50 -6.991 4.248 3.342 1.00 0.00 O ATOM 778 CB LYS A 50 -4.279 5.363 4.360 1.00 0.00 C ATOM 779 CG LYS A 50 -2.916 4.675 4.426 1.00 0.00 C ATOM 780 CD LYS A 50 -2.952 3.263 3.842 1.00 0.00 C ATOM 781 CE LYS A 50 -4.081 2.427 4.429 1.00 0.00 C ATOM 782 NZ LYS A 50 -4.190 1.114 3.761 1.00 0.00 N ATOM 0 H LYS A 50 -3.952 7.164 2.661 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.607 4.431 2.470 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.168 6.397 4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.954 4.878 5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.183 5.272 3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.584 4.629 5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.070 3.322 2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.999 2.769 4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.909 2.280 5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.023 2.966 4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.167 0.971 3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.544 1.084 2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.936 0.361 4.432 1.00 0.00 H new ATOM 796 N TYR A 51 -7.089 6.437 2.873 1.00 0.00 N ATOM 797 CA TYR A 51 -8.548 6.448 2.911 1.00 0.00 C ATOM 798 C TYR A 51 -9.121 5.593 1.776 1.00 0.00 C ATOM 799 O TYR A 51 -9.926 4.690 2.016 1.00 0.00 O ATOM 800 CB TYR A 51 -9.097 7.878 2.829 1.00 0.00 C ATOM 801 CG TYR A 51 -10.610 7.948 2.787 1.00 0.00 C ATOM 802 CD1 TYR A 51 -11.375 7.656 3.910 1.00 0.00 C ATOM 803 CD2 TYR A 51 -11.271 8.302 1.619 1.00 0.00 C ATOM 804 CE1 TYR A 51 -12.756 7.716 3.867 1.00 0.00 C ATOM 805 CE2 TYR A 51 -12.648 8.365 1.568 1.00 0.00 C ATOM 806 CZ TYR A 51 -13.386 8.070 2.692 1.00 0.00 C ATOM 807 OH TYR A 51 -14.761 8.131 2.640 1.00 0.00 O ATOM 0 H TYR A 51 -6.653 7.340 2.687 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.859 6.022 3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.740 8.445 3.689 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.695 8.362 1.939 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.883 7.378 4.831 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.697 8.532 0.734 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -13.338 7.487 4.748 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -13.145 8.644 0.651 1.00 0.00 H new ATOM 0 HH TYR A 51 -15.043 8.397 1.740 1.00 0.00 H new ATOM 817 N PHE A 52 -8.690 5.866 0.549 1.00 0.00 N ATOM 818 CA PHE A 52 -9.140 5.082 -0.608 1.00 0.00 C ATOM 819 C PHE A 52 -8.471 3.705 -0.664 1.00 0.00 C ATOM 820 O PHE A 52 -9.106 2.703 -1.009 1.00 0.00 O ATOM 821 CB PHE A 52 -8.906 5.840 -1.915 1.00 0.00 C ATOM 822 CG PHE A 52 -9.989 6.830 -2.234 1.00 0.00 C ATOM 823 CD1 PHE A 52 -10.008 8.074 -1.637 1.00 0.00 C ATOM 824 CD2 PHE A 52 -10.992 6.507 -3.134 1.00 0.00 C ATOM 825 CE1 PHE A 52 -11.007 8.982 -1.929 1.00 0.00 C ATOM 826 CE2 PHE A 52 -11.993 7.410 -3.432 1.00 0.00 C ATOM 827 CZ PHE A 52 -12.000 8.649 -2.829 1.00 0.00 C ATOM 0 H PHE A 52 -8.036 6.616 0.325 1.00 0.00 H new ATOM 0 HA PHE A 52 -10.212 4.926 -0.484 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.952 6.363 -1.857 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.827 5.123 -2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.233 8.341 -0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.991 5.537 -3.608 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.012 9.952 -1.454 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.768 7.146 -4.136 1.00 0.00 H new ATOM 0 HZ PHE A 52 -12.781 9.358 -3.060 1.00 0.00 H new ATOM 837 N ASP A 53 -7.196 3.664 -0.322 1.00 0.00 N ATOM 838 CA ASP A 53 -6.412 2.422 -0.347 1.00 0.00 C ATOM 839 C ASP A 53 -6.940 1.399 0.658 1.00 0.00 C ATOM 840 O ASP A 53 -6.822 0.204 0.448 1.00 0.00 O ATOM 841 CB ASP A 53 -4.939 2.732 -0.064 1.00 0.00 C ATOM 842 CG ASP A 53 -4.078 1.499 0.065 1.00 0.00 C ATOM 843 OD1 ASP A 53 -3.803 0.854 -0.964 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.661 1.190 1.205 1.00 0.00 O ATOM 0 H ASP A 53 -6.668 4.482 -0.019 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.507 1.984 -1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.547 3.357 -0.866 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.868 3.313 0.856 1.00 0.00 H new ATOM 849 N LYS A 54 -7.572 1.892 1.718 1.00 0.00 N ATOM 850 CA LYS A 54 -8.082 1.049 2.816 1.00 0.00 C ATOM 851 C LYS A 54 -8.926 -0.132 2.316 1.00 0.00 C ATOM 852 O LYS A 54 -8.891 -1.217 2.897 1.00 0.00 O ATOM 853 CB LYS A 54 -8.938 1.897 3.759 1.00 0.00 C ATOM 854 CG LYS A 54 -9.458 1.141 4.971 1.00 0.00 C ATOM 855 CD LYS A 54 -10.644 1.851 5.607 1.00 0.00 C ATOM 856 CE LYS A 54 -10.288 3.257 6.053 1.00 0.00 C ATOM 857 NZ LYS A 54 -11.438 3.930 6.699 1.00 0.00 N ATOM 0 H LYS A 54 -7.750 2.888 1.849 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.212 0.643 3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.349 2.749 4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.785 2.297 3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.752 0.134 4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.659 1.036 5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.467 1.894 4.894 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.995 1.276 6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.450 3.218 6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.960 3.841 5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.160 4.888 6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.229 3.989 6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.734 3.386 7.534 1.00 0.00 H new ATOM 871 N ARG A 55 -9.672 0.079 1.247 1.00 0.00 N ATOM 872 CA ARG A 55 -10.559 -0.955 0.731 1.00 0.00 C ATOM 873 C ARG A 55 -9.787 -2.091 0.037 1.00 0.00 C ATOM 874 O ARG A 55 -10.232 -3.235 0.031 1.00 0.00 O ATOM 875 CB ARG A 55 -11.599 -0.343 -0.224 1.00 0.00 C ATOM 876 CG ARG A 55 -12.609 -1.347 -0.778 1.00 0.00 C ATOM 877 CD ARG A 55 -13.379 -2.039 0.340 1.00 0.00 C ATOM 878 NE ARG A 55 -14.317 -3.039 -0.172 1.00 0.00 N ATOM 879 CZ ARG A 55 -14.542 -4.227 0.402 1.00 0.00 C ATOM 880 NH1 ARG A 55 -13.862 -4.582 1.489 1.00 0.00 N ATOM 881 NH2 ARG A 55 -15.438 -5.063 -0.117 1.00 0.00 N ATOM 0 H ARG A 55 -9.684 0.952 0.719 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.076 -1.394 1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.138 0.445 0.301 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.078 0.128 -1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.308 -0.835 -1.439 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.090 -2.093 -1.379 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.675 -2.518 1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.925 -1.294 0.918 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.834 -2.816 -1.023 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.168 -3.948 1.886 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.035 -5.488 1.925 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.956 -4.799 -0.955 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.607 -5.967 0.323 1.00 0.00 H new ATOM 895 N ARG A 56 -8.635 -1.777 -0.536 1.00 0.00 N ATOM 896 CA ARG A 56 -7.861 -2.784 -1.270 1.00 0.00 C ATOM 897 C ARG A 56 -6.647 -3.237 -0.478 1.00 0.00 C ATOM 898 O ARG A 56 -6.086 -4.302 -0.743 1.00 0.00 O ATOM 899 CB ARG A 56 -7.395 -2.249 -2.637 1.00 0.00 C ATOM 900 CG ARG A 56 -8.511 -1.772 -3.554 1.00 0.00 C ATOM 901 CD ARG A 56 -8.953 -0.358 -3.211 1.00 0.00 C ATOM 902 NE ARG A 56 -10.052 0.085 -4.058 1.00 0.00 N ATOM 903 CZ ARG A 56 -10.270 1.348 -4.415 1.00 0.00 C ATOM 904 NH1 ARG A 56 -9.480 2.321 -3.968 1.00 0.00 N ATOM 905 NH2 ARG A 56 -11.291 1.639 -5.207 1.00 0.00 N ATOM 0 H ARG A 56 -8.214 -0.848 -0.512 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.525 -3.634 -1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.704 -1.423 -2.471 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.837 -3.034 -3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.171 -1.806 -4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.362 -2.449 -3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.260 -0.316 -2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.110 0.324 -3.323 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.700 -0.623 -4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.701 2.101 -3.347 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.653 3.287 -4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.906 0.896 -5.540 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.463 2.606 -5.484 1.00 0.00 H new ATOM 919 N ASP A 57 -6.254 -2.429 0.482 1.00 0.00 N ATOM 920 CA ASP A 57 -5.051 -2.673 1.263 1.00 0.00 C ATOM 921 C ASP A 57 -5.087 -3.956 2.047 1.00 0.00 C ATOM 922 O ASP A 57 -6.117 -4.354 2.595 1.00 0.00 O ATOM 923 CB ASP A 57 -4.769 -1.522 2.193 1.00 0.00 C ATOM 924 CG ASP A 57 -3.568 -1.781 3.075 1.00 0.00 C ATOM 925 OD1 ASP A 57 -2.563 -2.349 2.580 1.00 0.00 O ATOM 926 OD2 ASP A 57 -3.615 -1.397 4.261 1.00 0.00 O ATOM 0 H ASP A 57 -6.757 -1.582 0.747 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.247 -2.768 0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.600 -0.618 1.608 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.643 -1.339 2.817 1.00 0.00 H new ATOM 931 N TYR A 58 -3.966 -4.624 2.040 1.00 0.00 N ATOM 932 CA TYR A 58 -3.776 -5.814 2.794 1.00 0.00 C ATOM 933 C TYR A 58 -2.606 -5.653 3.787 1.00 0.00 C ATOM 934 O TYR A 58 -2.767 -5.836 4.993 1.00 0.00 O ATOM 935 CB TYR A 58 -3.549 -6.980 1.850 1.00 0.00 C ATOM 936 CG TYR A 58 -3.413 -8.312 2.535 1.00 0.00 C ATOM 937 CD1 TYR A 58 -4.305 -8.709 3.516 1.00 0.00 C ATOM 938 CD2 TYR A 58 -2.390 -9.169 2.195 1.00 0.00 C ATOM 939 CE1 TYR A 58 -4.175 -9.931 4.140 1.00 0.00 C ATOM 940 CE2 TYR A 58 -2.245 -10.393 2.809 1.00 0.00 C ATOM 941 CZ TYR A 58 -3.142 -10.772 3.785 1.00 0.00 C ATOM 942 OH TYR A 58 -3.012 -12.001 4.403 1.00 0.00 O ATOM 0 H TYR A 58 -3.149 -4.344 1.497 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.671 -6.014 3.383 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.380 -7.030 1.146 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.648 -6.790 1.267 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.115 -8.052 3.797 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.686 -8.875 1.430 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.879 -10.228 4.903 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.435 -11.051 2.528 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.234 -12.471 4.037 1.00 0.00 H new ATOM 952 N LEU A 59 -1.429 -5.312 3.248 1.00 0.00 N ATOM 953 CA LEU A 59 -0.186 -5.212 4.040 1.00 0.00 C ATOM 954 C LEU A 59 -0.045 -3.914 4.840 1.00 0.00 C ATOM 955 O LEU A 59 0.453 -3.938 5.963 1.00 0.00 O ATOM 956 CB LEU A 59 1.053 -5.386 3.148 1.00 0.00 C ATOM 957 CG LEU A 59 1.441 -6.821 2.785 1.00 0.00 C ATOM 958 CD1 LEU A 59 0.350 -7.493 1.984 1.00 0.00 C ATOM 959 CD2 LEU A 59 2.732 -6.834 2.008 1.00 0.00 C ATOM 0 H LEU A 59 -1.306 -5.098 2.258 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.255 -6.024 4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.887 -4.834 2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.902 -4.920 3.649 1.00 0.00 H new ATOM 0 HG LEU A 59 1.577 -7.377 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.653 -8.511 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.569 -7.518 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.178 -6.935 1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.995 -7.862 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.611 -6.256 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.525 -6.394 2.613 1.00 0.00 H new ATOM 971 N LYS A 60 -0.465 -2.796 4.261 1.00 0.00 N ATOM 972 CA LYS A 60 -0.281 -1.477 4.898 1.00 0.00 C ATOM 973 C LYS A 60 -0.950 -1.423 6.274 1.00 0.00 C ATOM 974 O LYS A 60 -0.566 -0.623 7.135 1.00 0.00 O ATOM 975 CB LYS A 60 -0.807 -0.352 3.998 1.00 0.00 C ATOM 976 CG LYS A 60 0.047 0.908 3.998 1.00 0.00 C ATOM 977 CD LYS A 60 1.421 0.657 3.387 1.00 0.00 C ATOM 978 CE LYS A 60 1.329 0.196 1.936 1.00 0.00 C ATOM 979 NZ LYS A 60 2.664 -0.091 1.379 1.00 0.00 N ATOM 0 H LYS A 60 -0.934 -2.765 3.356 1.00 0.00 H new ATOM 0 HA LYS A 60 0.790 -1.329 5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.881 -0.726 2.977 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.817 -0.091 4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.462 1.693 3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.163 1.269 5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.013 1.571 3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.946 -0.097 3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.707 -0.697 1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.841 0.966 1.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.573 -0.353 0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.264 0.754 1.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.098 -0.877 1.904 1.00 0.00 H new ATOM 993 N PHE A 61 -1.959 -2.272 6.466 1.00 0.00 N ATOM 994 CA PHE A 61 -2.668 -2.388 7.742 1.00 0.00 C ATOM 995 C PHE A 61 -1.731 -2.698 8.912 1.00 0.00 C ATOM 996 O PHE A 61 -2.133 -2.595 10.071 1.00 0.00 O ATOM 997 CB PHE A 61 -3.759 -3.454 7.665 1.00 0.00 C ATOM 998 CG PHE A 61 -5.003 -2.989 6.981 1.00 0.00 C ATOM 999 CD1 PHE A 61 -5.389 -3.525 5.767 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -5.792 -2.009 7.561 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -6.543 -3.087 5.145 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -6.942 -1.569 6.942 1.00 0.00 C ATOM 1003 CZ PHE A 61 -7.318 -2.109 5.734 1.00 0.00 C ATOM 0 H PHE A 61 -2.309 -2.899 5.742 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.121 -1.414 7.929 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.368 -4.324 7.138 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.010 -3.779 8.675 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.786 -4.290 5.302 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.502 -1.584 8.511 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.839 -3.511 4.197 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.546 -0.802 7.404 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.219 -1.768 5.247 1.00 0.00 H new