USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 535 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 LYS NZ :NH3+ 161:sc=-0.00269 (180deg=-0.306) USER MOD Single : A 14 SER OG : rot 40:sc= 0.942 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -28:sc= 0.791 USER MOD Single : A 23 TYR OH : rot 180:sc=-0.00931 USER MOD Single : A 26 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0553) USER MOD Single : A 28 LYS NZ :NH3+ -135:sc=-0.000996 (180deg=-0.269) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc=-0.00966 K(o=-0.0097,f=-3.3!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 76:sc= 0.00634 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.91 K(o=-1.9,f=-5.9!) USER MOD Single : A 51 SER OG : rot 36:sc= 1.05 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -2.43 K(o=-2.4,f=-4.2!) USER MOD Single : A 58 TYR OH : rot 165:sc= -0.223 USER MOD Single : A 60 GLN : amide:sc= -2.77 K(o=-2.8,f=-5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0941) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 1.867 16.020 1.872 1.00 0.00 N ATOM 137 CA PRO A 9 1.715 14.563 2.109 1.00 0.00 C ATOM 138 C PRO A 9 0.335 14.253 2.697 1.00 0.00 C ATOM 139 O PRO A 9 0.060 14.549 3.844 1.00 0.00 O ATOM 140 CB PRO A 9 2.823 14.237 3.105 1.00 0.00 C ATOM 141 CG PRO A 9 3.107 15.524 3.812 1.00 0.00 C ATOM 142 CD PRO A 9 2.768 16.643 2.859 1.00 0.00 C ATOM 0 HA PRO A 9 1.790 13.974 1.195 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.507 13.464 3.806 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.712 13.863 2.597 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.513 15.601 4.723 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.154 15.576 4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.282 17.471 3.375 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.662 17.045 2.383 1.00 0.00 H new ATOM 150 N LYS A 10 -0.530 13.663 1.910 1.00 0.00 N ATOM 151 CA LYS A 10 -1.901 13.329 2.405 1.00 0.00 C ATOM 152 C LYS A 10 -1.816 12.388 3.613 1.00 0.00 C ATOM 153 O LYS A 10 -0.779 12.252 4.231 1.00 0.00 O ATOM 154 CB LYS A 10 -2.601 12.640 1.225 1.00 0.00 C ATOM 155 CG LYS A 10 -1.829 11.373 0.817 1.00 0.00 C ATOM 156 CD LYS A 10 -1.489 11.427 -0.676 1.00 0.00 C ATOM 157 CE LYS A 10 -0.513 10.300 -1.020 1.00 0.00 C ATOM 158 NZ LYS A 10 -1.326 9.054 -0.962 1.00 0.00 N ATOM 0 H LYS A 10 -0.345 13.397 0.943 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.446 14.214 2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.623 12.379 1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.664 13.325 0.379 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.915 11.289 1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.427 10.487 1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.398 11.329 -1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.048 12.392 -0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.079 10.442 -2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.314 10.265 -0.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.839 8.297 -1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.451 8.767 0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.257 9.227 -1.392 1.00 0.00 H new ATOM 172 N ARG A 11 -2.902 11.737 3.951 1.00 0.00 N ATOM 173 CA ARG A 11 -2.895 10.801 5.123 1.00 0.00 C ATOM 174 C ARG A 11 -1.789 9.742 4.969 1.00 0.00 C ATOM 175 O ARG A 11 -1.389 9.434 3.864 1.00 0.00 O ATOM 176 CB ARG A 11 -4.271 10.133 5.109 1.00 0.00 C ATOM 177 CG ARG A 11 -5.238 10.933 5.985 1.00 0.00 C ATOM 178 CD ARG A 11 -5.713 12.175 5.222 1.00 0.00 C ATOM 179 NE ARG A 11 -6.444 13.000 6.229 1.00 0.00 N ATOM 180 CZ ARG A 11 -7.026 14.109 5.863 1.00 0.00 C ATOM 181 NH1 ARG A 11 -6.336 15.041 5.264 1.00 0.00 N ATOM 182 NH2 ARG A 11 -8.298 14.286 6.095 1.00 0.00 N ATOM 0 H ARG A 11 -3.796 11.812 3.466 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.700 11.327 6.058 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.649 10.078 4.088 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.194 9.110 5.476 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.092 10.314 6.261 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.746 11.229 6.912 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.871 12.724 4.801 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.363 11.901 4.391 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.488 12.697 7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.342 14.902 5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.791 15.908 4.978 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.837 13.557 6.563 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.753 15.153 5.809 1.00 0.00 H new ATOM 196 N PRO A 12 -1.330 9.211 6.083 1.00 0.00 N ATOM 197 CA PRO A 12 -0.267 8.179 6.035 1.00 0.00 C ATOM 198 C PRO A 12 -0.851 6.844 5.539 1.00 0.00 C ATOM 199 O PRO A 12 -1.772 6.325 6.139 1.00 0.00 O ATOM 200 CB PRO A 12 0.193 8.062 7.484 1.00 0.00 C ATOM 201 CG PRO A 12 -0.972 8.519 8.299 1.00 0.00 C ATOM 202 CD PRO A 12 -1.741 9.510 7.465 1.00 0.00 C ATOM 0 HA PRO A 12 0.548 8.433 5.358 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.468 7.036 7.729 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.071 8.680 7.670 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.604 7.674 8.573 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.634 8.979 9.228 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.817 9.391 7.596 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.498 10.536 7.740 1.00 0.00 H new ATOM 210 N PRO A 13 -0.309 6.322 4.458 1.00 0.00 N ATOM 211 CA PRO A 13 -0.817 5.046 3.911 1.00 0.00 C ATOM 212 C PRO A 13 -0.206 3.862 4.666 1.00 0.00 C ATOM 213 O PRO A 13 0.791 4.000 5.351 1.00 0.00 O ATOM 214 CB PRO A 13 -0.352 5.068 2.460 1.00 0.00 C ATOM 215 CG PRO A 13 0.848 5.968 2.431 1.00 0.00 C ATOM 216 CD PRO A 13 0.800 6.854 3.653 1.00 0.00 C ATOM 0 HA PRO A 13 -1.898 4.938 4.003 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.098 4.066 2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.137 5.442 1.803 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.765 5.379 2.424 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.849 6.571 1.523 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.740 6.820 4.203 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.627 7.895 3.380 1.00 0.00 H new ATOM 224 N SER A 14 -0.802 2.703 4.550 1.00 0.00 N ATOM 225 CA SER A 14 -0.269 1.504 5.260 1.00 0.00 C ATOM 226 C SER A 14 -0.850 0.225 4.649 1.00 0.00 C ATOM 227 O SER A 14 -1.602 -0.491 5.282 1.00 0.00 O ATOM 228 CB SER A 14 -0.730 1.670 6.709 1.00 0.00 C ATOM 229 OG SER A 14 0.302 2.297 7.460 1.00 0.00 O ATOM 0 H SER A 14 -1.639 2.536 3.991 1.00 0.00 H new ATOM 0 HA SER A 14 0.815 1.423 5.184 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.639 2.270 6.747 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.971 0.698 7.140 1.00 0.00 H new ATOM 0 HG SER A 14 0.717 3.002 6.920 1.00 0.00 H new ATOM 235 N ALA A 15 -0.517 -0.064 3.410 1.00 0.00 N ATOM 236 CA ALA A 15 -1.049 -1.289 2.723 1.00 0.00 C ATOM 237 C ALA A 15 -2.556 -1.154 2.511 1.00 0.00 C ATOM 238 O ALA A 15 -3.007 -0.880 1.415 1.00 0.00 O ATOM 239 CB ALA A 15 -0.717 -2.491 3.624 1.00 0.00 C ATOM 0 H ALA A 15 0.109 0.504 2.839 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.597 -1.422 1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.087 -3.406 3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.363 -2.561 3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.191 -2.359 4.596 1.00 0.00 H new ATOM 245 N PHE A 16 -3.343 -1.339 3.542 1.00 0.00 N ATOM 246 CA PHE A 16 -4.832 -1.217 3.396 1.00 0.00 C ATOM 247 C PHE A 16 -5.206 0.108 2.727 1.00 0.00 C ATOM 248 O PHE A 16 -6.068 0.159 1.869 1.00 0.00 O ATOM 249 CB PHE A 16 -5.369 -1.250 4.824 1.00 0.00 C ATOM 250 CG PHE A 16 -6.846 -1.567 4.803 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.305 -2.727 4.168 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.755 -0.698 5.418 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.674 -3.019 4.148 1.00 0.00 C ATOM 254 CE2 PHE A 16 -9.124 -0.991 5.399 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.583 -2.151 4.764 1.00 0.00 C ATOM 0 H PHE A 16 -3.020 -1.570 4.482 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.244 -2.012 2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.834 -2.000 5.407 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.200 -0.289 5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.603 -3.397 3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.401 0.198 5.907 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.029 -3.914 3.658 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.826 -0.322 5.874 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.639 -2.376 4.749 1.00 0.00 H new ATOM 265 N PHE A 17 -4.557 1.175 3.114 1.00 0.00 N ATOM 266 CA PHE A 17 -4.864 2.501 2.501 1.00 0.00 C ATOM 267 C PHE A 17 -4.487 2.487 1.019 1.00 0.00 C ATOM 268 O PHE A 17 -5.040 3.223 0.227 1.00 0.00 O ATOM 269 CB PHE A 17 -4.004 3.511 3.262 1.00 0.00 C ATOM 270 CG PHE A 17 -4.587 4.894 3.098 1.00 0.00 C ATOM 271 CD1 PHE A 17 -5.663 5.298 3.895 1.00 0.00 C ATOM 272 CD2 PHE A 17 -4.050 5.771 2.147 1.00 0.00 C ATOM 273 CE1 PHE A 17 -6.205 6.580 3.742 1.00 0.00 C ATOM 274 CE2 PHE A 17 -4.592 7.052 1.995 1.00 0.00 C ATOM 275 CZ PHE A 17 -5.670 7.458 2.792 1.00 0.00 C ATOM 0 H PHE A 17 -3.828 1.185 3.828 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.924 2.749 2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.962 3.246 4.318 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.981 3.489 2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.076 4.621 4.628 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.219 5.459 1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.036 6.892 4.357 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.179 7.729 1.262 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.088 8.447 2.674 1.00 0.00 H new ATOM 285 N LEU A 18 -3.543 1.659 0.641 1.00 0.00 N ATOM 286 CA LEU A 18 -3.121 1.598 -0.792 1.00 0.00 C ATOM 287 C LEU A 18 -4.055 0.675 -1.575 1.00 0.00 C ATOM 288 O LEU A 18 -4.406 0.949 -2.707 1.00 0.00 O ATOM 289 CB LEU A 18 -1.695 1.017 -0.790 1.00 0.00 C ATOM 290 CG LEU A 18 -0.798 1.753 0.219 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.615 1.171 0.158 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.743 3.246 -0.123 1.00 0.00 C ATOM 0 H LEU A 18 -3.047 1.022 1.265 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.155 2.582 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.732 -0.044 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.265 1.096 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.208 1.628 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.254 1.691 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.582 0.110 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.017 1.297 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.106 3.761 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.336 3.375 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.748 3.666 -0.083 1.00 0.00 H new ATOM 304 N PHE A 19 -4.458 -0.420 -0.978 1.00 0.00 N ATOM 305 CA PHE A 19 -5.370 -1.372 -1.683 1.00 0.00 C ATOM 306 C PHE A 19 -6.741 -0.729 -1.899 1.00 0.00 C ATOM 307 O PHE A 19 -7.269 -0.733 -2.993 1.00 0.00 O ATOM 308 CB PHE A 19 -5.486 -2.583 -0.754 1.00 0.00 C ATOM 309 CG PHE A 19 -6.193 -3.706 -1.473 1.00 0.00 C ATOM 310 CD1 PHE A 19 -7.591 -3.759 -1.486 1.00 0.00 C ATOM 311 CD2 PHE A 19 -5.449 -4.695 -2.127 1.00 0.00 C ATOM 312 CE1 PHE A 19 -8.247 -4.801 -2.152 1.00 0.00 C ATOM 313 CE2 PHE A 19 -6.104 -5.737 -2.795 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.503 -5.790 -2.807 1.00 0.00 C ATOM 0 H PHE A 19 -4.194 -0.695 -0.032 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.990 -1.651 -2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.495 -2.907 -0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.036 -2.312 0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.165 -2.995 -0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.370 -4.654 -2.116 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.326 -4.842 -2.161 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.530 -6.499 -3.301 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.008 -6.594 -3.322 1.00 0.00 H new ATOM 324 N CYS A 20 -7.312 -0.169 -0.864 1.00 0.00 N ATOM 325 CA CYS A 20 -8.647 0.486 -1.007 1.00 0.00 C ATOM 326 C CYS A 20 -8.527 1.729 -1.891 1.00 0.00 C ATOM 327 O CYS A 20 -9.469 2.130 -2.542 1.00 0.00 O ATOM 328 CB CYS A 20 -9.061 0.876 0.413 1.00 0.00 C ATOM 329 SG CYS A 20 -10.838 1.221 0.450 1.00 0.00 S ATOM 0 H CYS A 20 -6.912 -0.137 0.074 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.380 -0.172 -1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.822 0.071 1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.502 1.754 0.738 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.191 1.551 1.657 1.00 0.00 H new ATOM 335 N SER A 21 -7.374 2.349 -1.903 1.00 0.00 N ATOM 336 CA SER A 21 -7.189 3.577 -2.733 1.00 0.00 C ATOM 337 C SER A 21 -6.754 3.232 -4.166 1.00 0.00 C ATOM 338 O SER A 21 -6.478 4.119 -4.952 1.00 0.00 O ATOM 339 CB SER A 21 -6.093 4.369 -2.023 1.00 0.00 C ATOM 340 OG SER A 21 -5.859 5.582 -2.727 1.00 0.00 O ATOM 0 H SER A 21 -6.553 2.057 -1.373 1.00 0.00 H new ATOM 0 HA SER A 21 -8.119 4.137 -2.826 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.390 4.582 -0.996 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.177 3.781 -1.974 1.00 0.00 H new ATOM 0 HG SER A 21 -6.077 5.458 -3.674 1.00 0.00 H new ATOM 346 N GLU A 22 -6.680 1.965 -4.520 1.00 0.00 N ATOM 347 CA GLU A 22 -6.248 1.611 -5.911 1.00 0.00 C ATOM 348 C GLU A 22 -7.033 0.416 -6.482 1.00 0.00 C ATOM 349 O GLU A 22 -6.758 -0.024 -7.584 1.00 0.00 O ATOM 350 CB GLU A 22 -4.772 1.253 -5.781 1.00 0.00 C ATOM 351 CG GLU A 22 -3.945 2.533 -5.643 1.00 0.00 C ATOM 352 CD GLU A 22 -3.980 3.309 -6.962 1.00 0.00 C ATOM 353 OE1 GLU A 22 -3.443 2.807 -7.936 1.00 0.00 O ATOM 354 OE2 GLU A 22 -4.544 4.390 -6.975 1.00 0.00 O ATOM 0 H GLU A 22 -6.897 1.174 -3.914 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.430 2.438 -6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.618 0.613 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.446 0.689 -6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.341 3.149 -4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.916 2.287 -5.381 1.00 0.00 H new ATOM 361 N TYR A 23 -7.992 -0.121 -5.763 1.00 0.00 N ATOM 362 CA TYR A 23 -8.762 -1.290 -6.300 1.00 0.00 C ATOM 363 C TYR A 23 -10.261 -0.983 -6.360 1.00 0.00 C ATOM 364 O TYR A 23 -11.077 -1.882 -6.375 1.00 0.00 O ATOM 365 CB TYR A 23 -8.492 -2.433 -5.322 1.00 0.00 C ATOM 366 CG TYR A 23 -7.156 -3.063 -5.636 1.00 0.00 C ATOM 367 CD1 TYR A 23 -5.972 -2.435 -5.229 1.00 0.00 C ATOM 368 CD2 TYR A 23 -7.100 -4.274 -6.336 1.00 0.00 C ATOM 369 CE1 TYR A 23 -4.733 -3.019 -5.521 1.00 0.00 C ATOM 370 CE2 TYR A 23 -5.861 -4.858 -6.628 1.00 0.00 C ATOM 371 CZ TYR A 23 -4.678 -4.229 -6.221 1.00 0.00 C ATOM 372 OH TYR A 23 -3.457 -4.804 -6.509 1.00 0.00 O ATOM 0 H TYR A 23 -8.273 0.196 -4.835 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.456 -1.536 -7.317 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.497 -2.058 -4.298 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.283 -3.180 -5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.015 -1.500 -4.690 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.013 -4.758 -6.651 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.820 -2.535 -5.206 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -5.818 -5.793 -7.167 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.597 -5.641 -6.999 1.00 0.00 H new ATOM 382 N ARG A 24 -10.630 0.273 -6.395 1.00 0.00 N ATOM 383 CA ARG A 24 -12.074 0.630 -6.458 1.00 0.00 C ATOM 384 C ARG A 24 -12.600 0.695 -7.904 1.00 0.00 C ATOM 385 O ARG A 24 -13.664 0.175 -8.157 1.00 0.00 O ATOM 386 CB ARG A 24 -12.188 1.995 -5.797 1.00 0.00 C ATOM 387 CG ARG A 24 -11.751 1.894 -4.337 1.00 0.00 C ATOM 388 CD ARG A 24 -11.994 3.235 -3.641 1.00 0.00 C ATOM 389 NE ARG A 24 -13.410 3.178 -3.182 1.00 0.00 N ATOM 390 CZ ARG A 24 -13.702 3.419 -1.933 1.00 0.00 C ATOM 391 NH1 ARG A 24 -13.846 4.649 -1.522 1.00 0.00 N ATOM 392 NH2 ARG A 24 -13.852 2.429 -1.096 1.00 0.00 N ATOM 0 H ARG A 24 -9.989 1.066 -6.382 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.674 -0.129 -5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.566 2.719 -6.324 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.215 2.354 -5.856 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.307 1.104 -3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.696 1.627 -4.279 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.312 3.374 -2.802 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.833 4.069 -4.324 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.152 2.951 -3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.730 5.422 -2.177 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.074 4.837 -0.546 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.741 1.468 -1.418 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.080 2.617 -0.120 1.00 0.00 H new ATOM 406 N PRO A 25 -11.872 1.331 -8.816 1.00 0.00 N ATOM 407 CA PRO A 25 -12.363 1.431 -10.221 1.00 0.00 C ATOM 408 C PRO A 25 -12.389 0.052 -10.884 1.00 0.00 C ATOM 409 O PRO A 25 -13.029 -0.139 -11.901 1.00 0.00 O ATOM 410 CB PRO A 25 -11.370 2.375 -10.895 1.00 0.00 C ATOM 411 CG PRO A 25 -10.129 2.279 -10.077 1.00 0.00 C ATOM 412 CD PRO A 25 -10.556 1.980 -8.662 1.00 0.00 C ATOM 0 HA PRO A 25 -13.385 1.803 -10.292 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.185 2.081 -11.928 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.750 3.396 -10.917 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.476 1.493 -10.457 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.565 3.211 -10.121 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.844 1.325 -8.160 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.627 2.890 -8.066 1.00 0.00 H new ATOM 420 N LYS A 26 -11.735 -0.920 -10.294 1.00 0.00 N ATOM 421 CA LYS A 26 -11.764 -2.296 -10.867 1.00 0.00 C ATOM 422 C LYS A 26 -13.134 -2.900 -10.575 1.00 0.00 C ATOM 423 O LYS A 26 -13.825 -3.375 -11.454 1.00 0.00 O ATOM 424 CB LYS A 26 -10.679 -3.062 -10.116 1.00 0.00 C ATOM 425 CG LYS A 26 -10.429 -4.407 -10.804 1.00 0.00 C ATOM 426 CD LYS A 26 -11.453 -5.431 -10.311 1.00 0.00 C ATOM 427 CE LYS A 26 -10.947 -6.843 -10.608 1.00 0.00 C ATOM 428 NZ LYS A 26 -10.048 -7.177 -9.469 1.00 0.00 N ATOM 0 H LYS A 26 -11.184 -0.817 -9.442 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.595 -2.321 -11.944 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.759 -2.478 -10.091 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.983 -3.222 -9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.504 -4.294 -11.885 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.419 -4.755 -10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.617 -5.310 -9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.412 -5.267 -10.801 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.772 -7.551 -10.680 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.412 -6.879 -11.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.256 -7.759 -9.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.678 -6.300 -9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.581 -7.706 -8.750 1.00 0.00 H new ATOM 442 N ILE A 27 -13.526 -2.871 -9.325 1.00 0.00 N ATOM 443 CA ILE A 27 -14.856 -3.427 -8.917 1.00 0.00 C ATOM 444 C ILE A 27 -15.971 -2.828 -9.774 1.00 0.00 C ATOM 445 O ILE A 27 -16.992 -3.442 -9.998 1.00 0.00 O ATOM 446 CB ILE A 27 -15.069 -2.967 -7.460 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.908 -3.393 -6.539 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.375 -3.556 -6.925 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.604 -4.882 -6.697 1.00 0.00 C ATOM 0 H ILE A 27 -12.975 -2.481 -8.560 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.877 -4.511 -9.031 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.111 -1.878 -7.463 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.018 -2.809 -6.775 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.164 -3.178 -5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.526 -3.231 -5.896 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.207 -3.213 -7.539 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.324 -4.644 -6.958 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.781 -5.157 -6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.488 -5.464 -6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.325 -5.089 -7.730 1.00 0.00 H new ATOM 461 N LYS A 28 -15.792 -1.610 -10.201 1.00 0.00 N ATOM 462 CA LYS A 28 -16.861 -0.928 -10.995 1.00 0.00 C ATOM 463 C LYS A 28 -16.936 -1.526 -12.403 1.00 0.00 C ATOM 464 O LYS A 28 -17.997 -1.607 -12.992 1.00 0.00 O ATOM 465 CB LYS A 28 -16.513 0.583 -11.076 1.00 0.00 C ATOM 466 CG LYS A 28 -15.785 1.127 -9.828 1.00 0.00 C ATOM 467 CD LYS A 28 -16.435 0.666 -8.514 1.00 0.00 C ATOM 468 CE LYS A 28 -17.910 1.076 -8.487 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.895 2.545 -8.244 1.00 0.00 N ATOM 0 H LYS A 28 -14.953 -1.054 -10.037 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.830 -1.066 -10.515 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.888 0.755 -11.952 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.432 1.150 -11.224 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.745 0.801 -9.848 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.778 2.216 -9.863 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.348 -0.416 -8.416 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.911 1.106 -7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.404 0.836 -9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.452 0.551 -7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.603 2.785 -7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.952 2.833 -7.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.119 3.045 -9.128 1.00 0.00 H new ATOM 483 N SER A 29 -15.819 -1.941 -12.943 1.00 0.00 N ATOM 484 CA SER A 29 -15.822 -2.534 -14.317 1.00 0.00 C ATOM 485 C SER A 29 -16.677 -3.807 -14.351 1.00 0.00 C ATOM 486 O SER A 29 -17.196 -4.185 -15.384 1.00 0.00 O ATOM 487 CB SER A 29 -14.360 -2.868 -14.616 1.00 0.00 C ATOM 488 OG SER A 29 -14.236 -3.250 -15.980 1.00 0.00 O ATOM 0 H SER A 29 -14.905 -1.896 -12.493 1.00 0.00 H new ATOM 0 HA SER A 29 -16.243 -1.849 -15.053 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.728 -2.004 -14.409 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.019 -3.675 -13.968 1.00 0.00 H new ATOM 0 HG SER A 29 -13.300 -3.463 -16.176 1.00 0.00 H new ATOM 494 N GLU A 30 -16.820 -4.469 -13.230 1.00 0.00 N ATOM 495 CA GLU A 30 -17.634 -5.722 -13.194 1.00 0.00 C ATOM 496 C GLU A 30 -18.866 -5.545 -12.299 1.00 0.00 C ATOM 497 O GLU A 30 -19.858 -6.228 -12.460 1.00 0.00 O ATOM 498 CB GLU A 30 -16.697 -6.781 -12.610 1.00 0.00 C ATOM 499 CG GLU A 30 -16.118 -7.637 -13.740 1.00 0.00 C ATOM 500 CD GLU A 30 -17.195 -8.591 -14.261 1.00 0.00 C ATOM 501 OE1 GLU A 30 -17.919 -8.199 -15.162 1.00 0.00 O ATOM 502 OE2 GLU A 30 -17.277 -9.696 -13.750 1.00 0.00 O ATOM 0 H GLU A 30 -16.408 -4.195 -12.338 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.005 -5.996 -14.182 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.891 -6.301 -12.055 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.239 -7.411 -11.905 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.761 -6.998 -14.548 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.260 -8.203 -13.378 1.00 0.00 H new ATOM 509 N HIS A 31 -18.807 -4.637 -11.359 1.00 0.00 N ATOM 510 CA HIS A 31 -19.974 -4.415 -10.449 1.00 0.00 C ATOM 511 C HIS A 31 -20.476 -2.971 -10.600 1.00 0.00 C ATOM 512 O HIS A 31 -19.937 -2.070 -9.988 1.00 0.00 O ATOM 513 CB HIS A 31 -19.455 -4.645 -9.021 1.00 0.00 C ATOM 514 CG HIS A 31 -18.707 -5.949 -8.929 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.327 -6.011 -9.037 1.00 0.00 N ATOM 516 CD2 HIS A 31 -19.128 -7.242 -8.743 1.00 0.00 C ATOM 517 CE1 HIS A 31 -16.969 -7.299 -8.918 1.00 0.00 C ATOM 518 NE2 HIS A 31 -18.028 -8.095 -8.737 1.00 0.00 N ATOM 0 H HIS A 31 -18.001 -4.038 -11.181 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.801 -5.086 -10.682 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.800 -3.823 -8.730 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.291 -4.650 -8.321 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.698 -5.221 -9.181 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.156 -7.550 -8.620 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -15.949 -7.650 -8.963 1.00 0.00 H new ATOM 526 N PRO A 32 -21.492 -2.788 -11.412 1.00 0.00 N ATOM 527 CA PRO A 32 -22.043 -1.429 -11.625 1.00 0.00 C ATOM 528 C PRO A 32 -22.873 -0.993 -10.418 1.00 0.00 C ATOM 529 O PRO A 32 -22.985 0.181 -10.121 1.00 0.00 O ATOM 530 CB PRO A 32 -22.919 -1.583 -12.862 1.00 0.00 C ATOM 531 CG PRO A 32 -23.292 -3.031 -12.910 1.00 0.00 C ATOM 532 CD PRO A 32 -22.216 -3.803 -12.194 1.00 0.00 C ATOM 0 HA PRO A 32 -21.271 -0.670 -11.751 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.805 -0.952 -12.796 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.382 -1.286 -13.763 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -24.260 -3.193 -12.435 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -23.383 -3.369 -13.942 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.642 -4.572 -11.549 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.555 -4.308 -12.898 1.00 0.00 H new ATOM 540 N GLY A 33 -23.456 -1.934 -9.725 1.00 0.00 N ATOM 541 CA GLY A 33 -24.283 -1.593 -8.536 1.00 0.00 C ATOM 542 C GLY A 33 -23.394 -1.423 -7.292 1.00 0.00 C ATOM 543 O GLY A 33 -23.839 -0.918 -6.282 1.00 0.00 O ATOM 0 H GLY A 33 -23.393 -2.930 -9.935 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.837 -0.673 -8.723 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -25.019 -2.378 -8.360 1.00 0.00 H new ATOM 547 N LEU A 34 -22.154 -1.855 -7.353 1.00 0.00 N ATOM 548 CA LEU A 34 -21.239 -1.732 -6.167 1.00 0.00 C ATOM 549 C LEU A 34 -21.024 -0.261 -5.779 1.00 0.00 C ATOM 550 O LEU A 34 -20.017 0.337 -6.110 1.00 0.00 O ATOM 551 CB LEU A 34 -19.908 -2.369 -6.617 1.00 0.00 C ATOM 552 CG LEU A 34 -19.604 -3.628 -5.788 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.386 -3.237 -4.326 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.770 -4.625 -5.887 1.00 0.00 C ATOM 0 H LEU A 34 -21.734 -2.289 -8.175 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.657 -2.223 -5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.961 -2.627 -7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.098 -1.649 -6.505 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.703 -4.100 -6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.171 -4.130 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.547 -2.545 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.285 -2.757 -3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.542 -5.512 -5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.680 -4.160 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.916 -4.911 -6.928 1.00 0.00 H new ATOM 566 N SER A 35 -21.966 0.323 -5.084 1.00 0.00 N ATOM 567 CA SER A 35 -21.823 1.753 -4.668 1.00 0.00 C ATOM 568 C SER A 35 -20.723 1.872 -3.610 1.00 0.00 C ATOM 569 O SER A 35 -20.182 0.881 -3.159 1.00 0.00 O ATOM 570 CB SER A 35 -23.179 2.142 -4.080 1.00 0.00 C ATOM 571 OG SER A 35 -23.471 1.298 -2.975 1.00 0.00 O ATOM 0 H SER A 35 -22.830 -0.129 -4.785 1.00 0.00 H new ATOM 0 HA SER A 35 -21.548 2.402 -5.499 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.165 3.185 -3.762 1.00 0.00 H new ATOM 0 HB3 SER A 35 -23.957 2.050 -4.838 1.00 0.00 H new ATOM 0 HG SER A 35 -24.339 1.546 -2.594 1.00 0.00 H new ATOM 577 N ILE A 36 -20.389 3.076 -3.205 1.00 0.00 N ATOM 578 CA ILE A 36 -19.318 3.256 -2.167 1.00 0.00 C ATOM 579 C ILE A 36 -19.647 2.427 -0.919 1.00 0.00 C ATOM 580 O ILE A 36 -18.764 1.977 -0.212 1.00 0.00 O ATOM 581 CB ILE A 36 -19.316 4.757 -1.834 1.00 0.00 C ATOM 582 CG1 ILE A 36 -18.901 5.567 -3.075 1.00 0.00 C ATOM 583 CG2 ILE A 36 -18.336 5.038 -0.686 1.00 0.00 C ATOM 584 CD1 ILE A 36 -17.493 5.164 -3.531 1.00 0.00 C ATOM 0 H ILE A 36 -20.810 3.940 -3.546 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.343 2.923 -2.524 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.320 5.053 -1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -19.614 5.398 -3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.925 6.632 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.341 6.104 -0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -18.639 4.475 0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.332 4.735 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.215 5.746 -4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.782 5.356 -2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.481 4.103 -3.780 1.00 0.00 H new ATOM 596 N GLY A 37 -20.911 2.224 -0.650 1.00 0.00 N ATOM 597 CA GLY A 37 -21.308 1.426 0.545 1.00 0.00 C ATOM 598 C GLY A 37 -20.722 0.018 0.435 1.00 0.00 C ATOM 599 O GLY A 37 -19.870 -0.368 1.209 1.00 0.00 O ATOM 0 H GLY A 37 -21.687 2.578 -1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.951 1.910 1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.394 1.375 0.617 1.00 0.00 H new ATOM 603 N ASP A 38 -21.167 -0.743 -0.529 1.00 0.00 N ATOM 604 CA ASP A 38 -20.638 -2.130 -0.700 1.00 0.00 C ATOM 605 C ASP A 38 -19.185 -2.101 -1.187 1.00 0.00 C ATOM 606 O ASP A 38 -18.411 -2.985 -0.885 1.00 0.00 O ATOM 607 CB ASP A 38 -21.541 -2.775 -1.755 1.00 0.00 C ATOM 608 CG ASP A 38 -22.684 -3.519 -1.061 1.00 0.00 C ATOM 609 OD1 ASP A 38 -23.595 -2.857 -0.591 1.00 0.00 O ATOM 610 OD2 ASP A 38 -22.629 -4.736 -1.014 1.00 0.00 O ATOM 0 H ASP A 38 -21.876 -0.464 -1.208 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.642 -2.683 0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -21.942 -2.012 -2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -20.964 -3.465 -2.370 1.00 0.00 H new ATOM 615 N THR A 39 -18.808 -1.087 -1.923 1.00 0.00 N ATOM 616 CA THR A 39 -17.398 -1.002 -2.422 1.00 0.00 C ATOM 617 C THR A 39 -16.429 -0.852 -1.243 1.00 0.00 C ATOM 618 O THR A 39 -15.300 -1.304 -1.299 1.00 0.00 O ATOM 619 CB THR A 39 -17.361 0.236 -3.326 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.229 0.033 -4.430 1.00 0.00 O ATOM 621 CG2 THR A 39 -15.938 0.469 -3.844 1.00 0.00 C ATOM 0 H THR A 39 -19.413 -0.314 -2.201 1.00 0.00 H new ATOM 0 HA THR A 39 -17.097 -1.899 -2.964 1.00 0.00 H new ATOM 0 HB THR A 39 -17.680 1.106 -2.752 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.159 0.136 -4.138 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.924 1.351 -4.485 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.264 0.622 -3.001 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.612 -0.400 -4.415 1.00 0.00 H new ATOM 629 N ALA A 40 -16.863 -0.223 -0.182 1.00 0.00 N ATOM 630 CA ALA A 40 -15.969 -0.042 1.002 1.00 0.00 C ATOM 631 C ALA A 40 -15.843 -1.358 1.774 1.00 0.00 C ATOM 632 O ALA A 40 -14.767 -1.739 2.194 1.00 0.00 O ATOM 633 CB ALA A 40 -16.651 1.023 1.862 1.00 0.00 C ATOM 0 H ALA A 40 -17.798 0.173 -0.083 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.961 0.256 0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.051 1.210 2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.748 1.945 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.640 0.673 2.158 1.00 0.00 H new ATOM 639 N LYS A 41 -16.939 -2.045 1.973 1.00 0.00 N ATOM 640 CA LYS A 41 -16.892 -3.335 2.732 1.00 0.00 C ATOM 641 C LYS A 41 -16.583 -4.529 1.812 1.00 0.00 C ATOM 642 O LYS A 41 -16.284 -5.610 2.285 1.00 0.00 O ATOM 643 CB LYS A 41 -18.273 -3.482 3.389 1.00 0.00 C ATOM 644 CG LYS A 41 -19.369 -3.645 2.328 1.00 0.00 C ATOM 645 CD LYS A 41 -20.731 -3.289 2.937 1.00 0.00 C ATOM 646 CE LYS A 41 -20.755 -1.810 3.353 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.073 -1.819 4.809 1.00 0.00 N ATOM 0 H LYS A 41 -17.864 -1.770 1.644 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.093 -3.324 3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.274 -4.346 4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.483 -2.606 4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.161 -3.000 1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.381 -4.670 1.958 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.523 -3.484 2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -20.927 -3.921 3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.794 -1.332 3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.505 -1.255 2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.106 -0.842 5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.996 -2.273 4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.339 -2.348 5.321 1.00 0.00 H new ATOM 661 N LYS A 42 -16.640 -4.352 0.510 1.00 0.00 N ATOM 662 CA LYS A 42 -16.334 -5.493 -0.412 1.00 0.00 C ATOM 663 C LYS A 42 -14.819 -5.700 -0.496 1.00 0.00 C ATOM 664 O LYS A 42 -14.311 -6.757 -0.178 1.00 0.00 O ATOM 665 CB LYS A 42 -16.910 -5.086 -1.777 1.00 0.00 C ATOM 666 CG LYS A 42 -16.617 -6.166 -2.826 1.00 0.00 C ATOM 667 CD LYS A 42 -17.247 -7.497 -2.395 1.00 0.00 C ATOM 668 CE LYS A 42 -17.799 -8.228 -3.620 1.00 0.00 C ATOM 669 NZ LYS A 42 -17.493 -9.666 -3.380 1.00 0.00 N ATOM 0 H LYS A 42 -16.883 -3.474 0.051 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.766 -6.432 -0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.986 -4.934 -1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.477 -4.137 -2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.015 -5.862 -3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.540 -6.285 -2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.503 -8.117 -1.894 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.047 -7.316 -1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.871 -8.065 -3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.329 -7.872 -4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.842 -10.233 -4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.465 -9.792 -3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.959 -9.979 -2.504 1.00 0.00 H new ATOM 683 N LEU A 43 -14.094 -4.696 -0.931 1.00 0.00 N ATOM 684 CA LEU A 43 -12.601 -4.817 -1.050 1.00 0.00 C ATOM 685 C LEU A 43 -11.982 -5.386 0.236 1.00 0.00 C ATOM 686 O LEU A 43 -10.928 -5.994 0.207 1.00 0.00 O ATOM 687 CB LEU A 43 -12.105 -3.390 -1.287 1.00 0.00 C ATOM 688 CG LEU A 43 -12.539 -2.920 -2.677 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.461 -1.394 -2.749 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.611 -3.528 -3.731 1.00 0.00 C ATOM 0 H LEU A 43 -14.473 -3.791 -1.211 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.320 -5.497 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.507 -2.723 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.019 -3.353 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.564 -3.239 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.770 -1.060 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.121 -0.960 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.436 -1.073 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.918 -3.195 -4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.586 -3.208 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.666 -4.615 -3.681 1.00 0.00 H new ATOM 702 N GLY A 44 -12.633 -5.198 1.357 1.00 0.00 N ATOM 703 CA GLY A 44 -12.089 -5.732 2.640 1.00 0.00 C ATOM 704 C GLY A 44 -12.170 -7.260 2.626 1.00 0.00 C ATOM 705 O GLY A 44 -11.289 -7.942 3.113 1.00 0.00 O ATOM 0 H GLY A 44 -13.518 -4.697 1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.055 -5.412 2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.655 -5.334 3.482 1.00 0.00 H new ATOM 709 N GLU A 45 -13.227 -7.802 2.070 1.00 0.00 N ATOM 710 CA GLU A 45 -13.389 -9.294 2.016 1.00 0.00 C ATOM 711 C GLU A 45 -12.130 -9.962 1.443 1.00 0.00 C ATOM 712 O GLU A 45 -11.749 -11.042 1.854 1.00 0.00 O ATOM 713 CB GLU A 45 -14.578 -9.533 1.084 1.00 0.00 C ATOM 714 CG GLU A 45 -15.406 -10.711 1.602 1.00 0.00 C ATOM 715 CD GLU A 45 -16.692 -10.830 0.782 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.591 -10.038 1.010 1.00 0.00 O ATOM 717 OE2 GLU A 45 -16.756 -11.712 -0.058 1.00 0.00 O ATOM 0 H GLU A 45 -13.990 -7.273 1.648 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.546 -9.716 3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.196 -8.637 1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.225 -9.739 0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.830 -11.634 1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.646 -10.566 2.655 1.00 0.00 H new ATOM 724 N MET A 46 -11.485 -9.318 0.505 1.00 0.00 N ATOM 725 CA MET A 46 -10.247 -9.900 -0.094 1.00 0.00 C ATOM 726 C MET A 46 -9.053 -9.608 0.813 1.00 0.00 C ATOM 727 O MET A 46 -8.213 -10.456 1.047 1.00 0.00 O ATOM 728 CB MET A 46 -10.086 -9.196 -1.441 1.00 0.00 C ATOM 729 CG MET A 46 -11.250 -9.576 -2.359 1.00 0.00 C ATOM 730 SD MET A 46 -11.122 -11.327 -2.799 1.00 0.00 S ATOM 731 CE MET A 46 -12.437 -11.345 -4.043 1.00 0.00 C ATOM 0 H MET A 46 -11.763 -8.412 0.127 1.00 0.00 H new ATOM 0 HA MET A 46 -10.307 -10.982 -0.212 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.060 -8.116 -1.298 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.139 -9.480 -1.901 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.199 -9.384 -1.859 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.233 -8.961 -3.259 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.534 -12.349 -4.456 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.379 -11.050 -3.581 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.191 -10.646 -4.843 1.00 0.00 H new ATOM 741 N TRP A 47 -8.971 -8.404 1.322 1.00 0.00 N ATOM 742 CA TRP A 47 -7.831 -8.030 2.220 1.00 0.00 C ATOM 743 C TRP A 47 -7.677 -9.048 3.357 1.00 0.00 C ATOM 744 O TRP A 47 -6.604 -9.575 3.584 1.00 0.00 O ATOM 745 CB TRP A 47 -8.197 -6.656 2.782 1.00 0.00 C ATOM 746 CG TRP A 47 -7.000 -6.060 3.450 1.00 0.00 C ATOM 747 CD1 TRP A 47 -6.932 -5.708 4.754 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.701 -5.741 2.871 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.675 -5.192 5.013 1.00 0.00 N ATOM 750 CE2 TRP A 47 -4.879 -5.193 3.884 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.161 -5.874 1.579 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.569 -4.791 3.624 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -3.843 -5.471 1.314 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.048 -4.930 2.335 1.00 0.00 C ATOM 0 H TRP A 47 -9.647 -7.659 1.154 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.883 -8.015 1.683 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.543 -6.003 1.981 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.017 -6.748 3.494 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.729 -5.813 5.475 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.373 -4.852 5.926 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.765 -6.289 0.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.961 -4.375 4.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.439 -5.578 0.318 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.035 -4.621 2.125 1.00 0.00 H new ATOM 765 N SER A 48 -8.737 -9.320 4.078 1.00 0.00 N ATOM 766 CA SER A 48 -8.648 -10.298 5.208 1.00 0.00 C ATOM 767 C SER A 48 -8.411 -11.713 4.675 1.00 0.00 C ATOM 768 O SER A 48 -7.762 -12.521 5.313 1.00 0.00 O ATOM 769 CB SER A 48 -10.000 -10.216 5.919 1.00 0.00 C ATOM 770 OG SER A 48 -9.895 -10.826 7.199 1.00 0.00 O ATOM 0 H SER A 48 -9.659 -8.908 3.934 1.00 0.00 H new ATOM 0 HA SER A 48 -7.820 -10.069 5.879 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.306 -9.175 6.023 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.766 -10.716 5.327 1.00 0.00 H new ATOM 0 HG SER A 48 -10.759 -10.774 7.658 1.00 0.00 H new ATOM 776 N GLU A 49 -8.932 -12.018 3.513 1.00 0.00 N ATOM 777 CA GLU A 49 -8.740 -13.387 2.936 1.00 0.00 C ATOM 778 C GLU A 49 -7.246 -13.689 2.772 1.00 0.00 C ATOM 779 O GLU A 49 -6.799 -14.795 3.014 1.00 0.00 O ATOM 780 CB GLU A 49 -9.436 -13.355 1.574 1.00 0.00 C ATOM 781 CG GLU A 49 -10.908 -13.736 1.744 1.00 0.00 C ATOM 782 CD GLU A 49 -11.022 -15.240 1.999 1.00 0.00 C ATOM 783 OE1 GLU A 49 -11.064 -15.983 1.032 1.00 0.00 O ATOM 784 OE2 GLU A 49 -11.064 -15.622 3.156 1.00 0.00 O ATOM 0 H GLU A 49 -9.482 -11.380 2.938 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.152 -14.164 3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.355 -12.360 1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.947 -14.046 0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.344 -13.182 2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.470 -13.465 0.850 1.00 0.00 H new ATOM 791 N GLN A 50 -6.473 -12.711 2.371 1.00 0.00 N ATOM 792 CA GLN A 50 -5.004 -12.934 2.197 1.00 0.00 C ATOM 793 C GLN A 50 -4.324 -13.027 3.566 1.00 0.00 C ATOM 794 O GLN A 50 -4.938 -12.784 4.588 1.00 0.00 O ATOM 795 CB GLN A 50 -4.499 -11.712 1.428 1.00 0.00 C ATOM 796 CG GLN A 50 -5.088 -11.717 0.016 1.00 0.00 C ATOM 797 CD GLN A 50 -4.477 -12.866 -0.788 1.00 0.00 C ATOM 798 OE1 GLN A 50 -3.506 -12.679 -1.494 1.00 0.00 O ATOM 799 NE2 GLN A 50 -5.009 -14.055 -0.711 1.00 0.00 N ATOM 0 H GLN A 50 -6.795 -11.767 2.156 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.787 -13.861 1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.784 -10.798 1.949 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.410 -11.724 1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.171 -11.828 0.063 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.886 -10.766 -0.477 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.824 -14.212 -0.118 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.610 -14.828 -1.244 1.00 0.00 H new ATOM 808 N SER A 51 -3.062 -13.379 3.593 1.00 0.00 N ATOM 809 CA SER A 51 -2.341 -13.490 4.898 1.00 0.00 C ATOM 810 C SER A 51 -0.826 -13.523 4.673 1.00 0.00 C ATOM 811 O SER A 51 -0.286 -14.484 4.157 1.00 0.00 O ATOM 812 CB SER A 51 -2.821 -14.807 5.504 1.00 0.00 C ATOM 813 OG SER A 51 -2.451 -15.881 4.649 1.00 0.00 O ATOM 0 H SER A 51 -2.501 -13.594 2.769 1.00 0.00 H new ATOM 0 HA SER A 51 -2.543 -12.641 5.551 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.383 -14.947 6.492 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.903 -14.787 5.635 1.00 0.00 H new ATOM 0 HG SER A 51 -1.577 -15.694 4.248 1.00 0.00 H new ATOM 819 N ALA A 52 -0.135 -12.480 5.067 1.00 0.00 N ATOM 820 CA ALA A 52 1.356 -12.430 4.894 1.00 0.00 C ATOM 821 C ALA A 52 1.754 -12.749 3.447 1.00 0.00 C ATOM 822 O ALA A 52 2.775 -13.365 3.199 1.00 0.00 O ATOM 823 CB ALA A 52 1.908 -13.493 5.847 1.00 0.00 C ATOM 0 H ALA A 52 -0.542 -11.653 5.505 1.00 0.00 H new ATOM 0 HA ALA A 52 1.751 -11.438 5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.995 -13.516 5.776 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.616 -13.252 6.869 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.506 -14.469 5.575 1.00 0.00 H new ATOM 829 N LYS A 53 0.958 -12.332 2.496 1.00 0.00 N ATOM 830 CA LYS A 53 1.285 -12.607 1.065 1.00 0.00 C ATOM 831 C LYS A 53 1.063 -11.350 0.218 1.00 0.00 C ATOM 832 O LYS A 53 2.003 -10.704 -0.207 1.00 0.00 O ATOM 833 CB LYS A 53 0.322 -13.718 0.644 1.00 0.00 C ATOM 834 CG LYS A 53 0.809 -15.055 1.205 1.00 0.00 C ATOM 835 CD LYS A 53 -0.231 -16.139 0.915 1.00 0.00 C ATOM 836 CE LYS A 53 0.399 -17.519 1.119 1.00 0.00 C ATOM 837 NZ LYS A 53 -0.751 -18.435 1.356 1.00 0.00 N ATOM 0 H LYS A 53 0.094 -11.812 2.649 1.00 0.00 H new ATOM 0 HA LYS A 53 2.326 -12.899 0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.682 -13.502 1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.261 -13.768 -0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.765 -15.324 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.974 -14.972 2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.091 -16.019 1.574 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.597 -16.042 -0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.973 -17.824 0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.085 -17.519 1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.399 -19.402 1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.275 -18.124 2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.383 -18.420 0.530 1.00 0.00 H new ATOM 851 N ASP A 54 -0.174 -11.000 -0.027 1.00 0.00 N ATOM 852 CA ASP A 54 -0.466 -9.785 -0.848 1.00 0.00 C ATOM 853 C ASP A 54 -0.027 -8.514 -0.110 1.00 0.00 C ATOM 854 O ASP A 54 0.171 -7.478 -0.717 1.00 0.00 O ATOM 855 CB ASP A 54 -1.984 -9.788 -1.045 1.00 0.00 C ATOM 856 CG ASP A 54 -2.357 -8.807 -2.159 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.139 -7.621 -1.972 1.00 0.00 O ATOM 858 OD2 ASP A 54 -2.853 -9.258 -3.177 1.00 0.00 O ATOM 0 H ASP A 54 -0.996 -11.504 0.306 1.00 0.00 H new ATOM 0 HA ASP A 54 0.071 -9.800 -1.797 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.326 -10.791 -1.300 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.482 -9.507 -0.117 1.00 0.00 H new ATOM 863 N LYS A 55 0.122 -8.582 1.192 1.00 0.00 N ATOM 864 CA LYS A 55 0.543 -7.373 1.964 1.00 0.00 C ATOM 865 C LYS A 55 2.066 -7.206 1.920 1.00 0.00 C ATOM 866 O LYS A 55 2.571 -6.102 1.898 1.00 0.00 O ATOM 867 CB LYS A 55 0.077 -7.637 3.398 1.00 0.00 C ATOM 868 CG LYS A 55 -1.451 -7.606 3.453 1.00 0.00 C ATOM 869 CD LYS A 55 -1.943 -8.574 4.532 1.00 0.00 C ATOM 870 CE LYS A 55 -3.445 -8.377 4.748 1.00 0.00 C ATOM 871 NZ LYS A 55 -3.846 -9.472 5.675 1.00 0.00 N ATOM 0 H LYS A 55 -0.030 -9.422 1.751 1.00 0.00 H new ATOM 0 HA LYS A 55 0.116 -6.458 1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.444 -8.605 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.491 -6.885 4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.797 -6.596 3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.866 -7.883 2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.740 -9.602 4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.405 -8.401 5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.657 -7.398 5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.991 -8.437 3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.865 -9.405 5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.638 -10.392 5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.315 -9.385 6.565 1.00 0.00 H new ATOM 885 N GLN A 56 2.797 -8.296 1.923 1.00 0.00 N ATOM 886 CA GLN A 56 4.302 -8.224 1.900 1.00 0.00 C ATOM 887 C GLN A 56 4.811 -7.210 0.851 1.00 0.00 C ATOM 888 O GLN A 56 5.611 -6.354 1.172 1.00 0.00 O ATOM 889 CB GLN A 56 4.764 -9.646 1.537 1.00 0.00 C ATOM 890 CG GLN A 56 5.605 -10.226 2.679 1.00 0.00 C ATOM 891 CD GLN A 56 4.730 -10.404 3.921 1.00 0.00 C ATOM 892 OE1 GLN A 56 4.069 -11.411 4.073 1.00 0.00 O ATOM 893 NE2 GLN A 56 4.698 -9.460 4.821 1.00 0.00 N ATOM 0 H GLN A 56 2.416 -9.242 1.941 1.00 0.00 H new ATOM 0 HA GLN A 56 4.696 -7.887 2.859 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.899 -10.283 1.350 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.349 -9.625 0.617 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.030 -11.184 2.381 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.440 -9.562 2.902 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.254 -8.614 4.693 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.118 -9.568 5.653 1.00 0.00 H new ATOM 902 N PRO A 57 4.340 -7.333 -0.370 1.00 0.00 N ATOM 903 CA PRO A 57 4.777 -6.398 -1.433 1.00 0.00 C ATOM 904 C PRO A 57 4.032 -5.061 -1.321 1.00 0.00 C ATOM 905 O PRO A 57 4.598 -4.008 -1.544 1.00 0.00 O ATOM 906 CB PRO A 57 4.394 -7.114 -2.721 1.00 0.00 C ATOM 907 CG PRO A 57 3.263 -8.015 -2.346 1.00 0.00 C ATOM 908 CD PRO A 57 3.388 -8.331 -0.877 1.00 0.00 C ATOM 0 HA PRO A 57 5.839 -6.161 -1.376 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.093 -6.404 -3.492 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.234 -7.682 -3.121 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.307 -7.533 -2.552 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.293 -8.930 -2.937 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.426 -8.256 -0.371 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.753 -9.346 -0.718 1.00 0.00 H new ATOM 916 N TYR A 58 2.761 -5.104 -1.005 1.00 0.00 N ATOM 917 CA TYR A 58 1.962 -3.840 -0.907 1.00 0.00 C ATOM 918 C TYR A 58 2.160 -3.133 0.446 1.00 0.00 C ATOM 919 O TYR A 58 1.522 -2.131 0.713 1.00 0.00 O ATOM 920 CB TYR A 58 0.500 -4.282 -1.074 1.00 0.00 C ATOM 921 CG TYR A 58 -0.145 -3.505 -2.201 1.00 0.00 C ATOM 922 CD1 TYR A 58 -0.227 -2.109 -2.132 1.00 0.00 C ATOM 923 CD2 TYR A 58 -0.657 -4.181 -3.314 1.00 0.00 C ATOM 924 CE1 TYR A 58 -0.821 -1.389 -3.176 1.00 0.00 C ATOM 925 CE2 TYR A 58 -1.252 -3.462 -4.358 1.00 0.00 C ATOM 926 CZ TYR A 58 -1.333 -2.066 -4.289 1.00 0.00 C ATOM 927 OH TYR A 58 -1.918 -1.358 -5.318 1.00 0.00 O ATOM 0 H TYR A 58 2.241 -5.960 -0.810 1.00 0.00 H new ATOM 0 HA TYR A 58 2.273 -3.119 -1.663 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.455 -5.351 -1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.048 -4.117 -0.146 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.168 -1.587 -1.273 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.593 -5.258 -3.368 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.884 -0.312 -3.122 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.648 -3.984 -5.216 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.002 -1.935 -6.106 1.00 0.00 H new ATOM 937 N GLU A 59 3.034 -3.625 1.295 1.00 0.00 N ATOM 938 CA GLU A 59 3.252 -2.944 2.612 1.00 0.00 C ATOM 939 C GLU A 59 4.485 -2.032 2.544 1.00 0.00 C ATOM 940 O GLU A 59 4.631 -1.121 3.337 1.00 0.00 O ATOM 941 CB GLU A 59 3.457 -4.069 3.637 1.00 0.00 C ATOM 942 CG GLU A 59 4.704 -4.896 3.284 1.00 0.00 C ATOM 943 CD GLU A 59 5.733 -4.794 4.414 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.530 -5.433 5.433 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.707 -4.080 4.239 1.00 0.00 O ATOM 0 H GLU A 59 3.599 -4.459 1.135 1.00 0.00 H new ATOM 0 HA GLU A 59 2.408 -2.311 2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.565 -3.645 4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.579 -4.714 3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.427 -5.938 3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.138 -4.536 2.351 1.00 0.00 H new ATOM 952 N GLN A 60 5.365 -2.264 1.598 1.00 0.00 N ATOM 953 CA GLN A 60 6.581 -1.405 1.475 1.00 0.00 C ATOM 954 C GLN A 60 6.218 -0.069 0.809 1.00 0.00 C ATOM 955 O GLN A 60 6.870 0.937 1.019 1.00 0.00 O ATOM 956 CB GLN A 60 7.558 -2.212 0.603 1.00 0.00 C ATOM 957 CG GLN A 60 6.970 -2.433 -0.798 1.00 0.00 C ATOM 958 CD GLN A 60 7.332 -3.835 -1.292 1.00 0.00 C ATOM 959 OE1 GLN A 60 7.307 -4.784 -0.536 1.00 0.00 O ATOM 960 NE2 GLN A 60 7.672 -4.005 -2.541 1.00 0.00 N ATOM 0 H GLN A 60 5.292 -3.011 0.907 1.00 0.00 H new ATOM 0 HA GLN A 60 7.019 -1.162 2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.508 -1.683 0.526 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.765 -3.173 1.073 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.887 -2.314 -0.771 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.356 -1.683 -1.488 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.693 -3.208 -3.177 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.916 -4.935 -2.881 1.00 0.00 H new ATOM 969 N LYS A 61 5.180 -0.059 0.011 1.00 0.00 N ATOM 970 CA LYS A 61 4.762 1.205 -0.672 1.00 0.00 C ATOM 971 C LYS A 61 4.375 2.260 0.366 1.00 0.00 C ATOM 972 O LYS A 61 4.699 3.425 0.226 1.00 0.00 O ATOM 973 CB LYS A 61 3.554 0.812 -1.533 1.00 0.00 C ATOM 974 CG LYS A 61 2.989 2.045 -2.246 1.00 0.00 C ATOM 975 CD LYS A 61 2.065 1.599 -3.380 1.00 0.00 C ATOM 976 CE LYS A 61 1.810 2.775 -4.325 1.00 0.00 C ATOM 977 NZ LYS A 61 1.437 2.151 -5.624 1.00 0.00 N ATOM 0 H LYS A 61 4.602 -0.873 -0.198 1.00 0.00 H new ATOM 0 HA LYS A 61 5.561 1.637 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.850 0.062 -2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.784 0.360 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.441 2.668 -1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.802 2.653 -2.643 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.517 0.771 -3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.122 1.235 -2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.011 3.416 -3.951 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.698 3.399 -4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.247 2.895 -6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.219 1.552 -5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.585 1.569 -5.497 1.00 0.00 H new ATOM 991 N ALA A 62 3.692 1.861 1.409 1.00 0.00 N ATOM 992 CA ALA A 62 3.292 2.840 2.461 1.00 0.00 C ATOM 993 C ALA A 62 4.470 3.136 3.396 1.00 0.00 C ATOM 994 O ALA A 62 4.443 4.092 4.148 1.00 0.00 O ATOM 995 CB ALA A 62 2.156 2.168 3.227 1.00 0.00 C ATOM 0 H ALA A 62 3.395 0.900 1.576 1.00 0.00 H new ATOM 0 HA ALA A 62 2.984 3.793 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.809 2.831 4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.333 1.956 2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.514 1.236 3.664 1.00 0.00 H new ATOM 1001 N ALA A 63 5.509 2.336 3.347 1.00 0.00 N ATOM 1002 CA ALA A 63 6.691 2.589 4.222 1.00 0.00 C ATOM 1003 C ALA A 63 7.591 3.671 3.603 1.00 0.00 C ATOM 1004 O ALA A 63 8.609 4.028 4.165 1.00 0.00 O ATOM 1005 CB ALA A 63 7.431 1.253 4.290 1.00 0.00 C ATOM 0 H ALA A 63 5.587 1.521 2.739 1.00 0.00 H new ATOM 0 HA ALA A 63 6.401 2.945 5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.316 1.359 4.918 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.774 0.494 4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.732 0.952 3.286 1.00 0.00 H new ATOM 1011 N LYS A 64 7.222 4.205 2.458 1.00 0.00 N ATOM 1012 CA LYS A 64 8.047 5.268 1.816 1.00 0.00 C ATOM 1013 C LYS A 64 7.366 6.625 1.979 1.00 0.00 C ATOM 1014 O LYS A 64 8.014 7.652 2.063 1.00 0.00 O ATOM 1015 CB LYS A 64 8.092 4.880 0.342 1.00 0.00 C ATOM 1016 CG LYS A 64 9.071 3.723 0.142 1.00 0.00 C ATOM 1017 CD LYS A 64 10.493 4.186 0.472 1.00 0.00 C ATOM 1018 CE LYS A 64 11.501 3.173 -0.074 1.00 0.00 C ATOM 1019 NZ LYS A 64 11.673 3.538 -1.507 1.00 0.00 N ATOM 0 H LYS A 64 6.380 3.945 1.944 1.00 0.00 H new ATOM 0 HA LYS A 64 9.041 5.349 2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.098 4.590 0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.398 5.736 -0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.794 2.885 0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.024 3.368 -0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.677 5.168 0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.612 4.288 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.447 3.228 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.133 2.153 0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.780 2.673 -2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.838 4.065 -1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.521 4.130 -1.615 1.00 0.00 H new ATOM 1033 N LEU A 65 6.063 6.625 2.045 1.00 0.00 N ATOM 1034 CA LEU A 65 5.315 7.901 2.230 1.00 0.00 C ATOM 1035 C LEU A 65 5.181 8.230 3.724 1.00 0.00 C ATOM 1036 O LEU A 65 4.658 9.265 4.087 1.00 0.00 O ATOM 1037 CB LEU A 65 3.941 7.648 1.610 1.00 0.00 C ATOM 1038 CG LEU A 65 4.002 7.918 0.107 1.00 0.00 C ATOM 1039 CD1 LEU A 65 4.584 6.698 -0.609 1.00 0.00 C ATOM 1040 CD2 LEU A 65 2.592 8.194 -0.419 1.00 0.00 C ATOM 0 H LEU A 65 5.480 5.790 1.978 1.00 0.00 H new ATOM 0 HA LEU A 65 5.822 8.747 1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.632 6.619 1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.196 8.293 2.076 1.00 0.00 H new ATOM 0 HG LEU A 65 4.636 8.785 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.627 6.891 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.589 6.502 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.951 5.830 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.635 8.387 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.958 7.328 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.178 9.064 0.090 1.00 0.00 H new ATOM 1052 N LYS A 66 5.668 7.369 4.592 1.00 0.00 N ATOM 1053 CA LYS A 66 5.587 7.649 6.053 1.00 0.00 C ATOM 1054 C LYS A 66 6.764 8.536 6.449 1.00 0.00 C ATOM 1055 O LYS A 66 6.644 9.405 7.293 1.00 0.00 O ATOM 1056 CB LYS A 66 5.683 6.277 6.730 1.00 0.00 C ATOM 1057 CG LYS A 66 5.666 6.442 8.257 1.00 0.00 C ATOM 1058 CD LYS A 66 4.311 5.996 8.814 1.00 0.00 C ATOM 1059 CE LYS A 66 4.463 5.620 10.291 1.00 0.00 C ATOM 1060 NZ LYS A 66 3.624 4.402 10.466 1.00 0.00 N ATOM 0 H LYS A 66 6.117 6.487 4.345 1.00 0.00 H new ATOM 0 HA LYS A 66 4.672 8.166 6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.851 5.648 6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.599 5.773 6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.465 5.851 8.704 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.853 7.483 8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.580 6.797 8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.936 5.143 8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.505 5.421 10.543 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.127 6.428 10.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.677 4.083 11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.637 4.623 10.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.972 3.648 9.840 1.00 0.00 H new ATOM 1074 N GLU A 67 7.900 8.326 5.830 1.00 0.00 N ATOM 1075 CA GLU A 67 9.091 9.165 6.154 1.00 0.00 C ATOM 1076 C GLU A 67 8.836 10.602 5.700 1.00 0.00 C ATOM 1077 O GLU A 67 8.858 11.527 6.492 1.00 0.00 O ATOM 1078 CB GLU A 67 10.248 8.546 5.368 1.00 0.00 C ATOM 1079 CG GLU A 67 10.838 7.381 6.164 1.00 0.00 C ATOM 1080 CD GLU A 67 11.759 7.924 7.258 1.00 0.00 C ATOM 1081 OE1 GLU A 67 11.256 8.571 8.161 1.00 0.00 O ATOM 1082 OE2 GLU A 67 12.951 7.681 7.175 1.00 0.00 O ATOM 0 H GLU A 67 8.052 7.612 5.117 1.00 0.00 H new ATOM 0 HA GLU A 67 9.308 9.193 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.897 8.196 4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.015 9.296 5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.038 6.788 6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.395 6.719 5.501 1.00 0.00 H new ATOM 1089 N LYS A 68 8.598 10.794 4.428 1.00 0.00 N ATOM 1090 CA LYS A 68 8.341 12.173 3.904 1.00 0.00 C ATOM 1091 C LYS A 68 7.130 12.807 4.596 1.00 0.00 C ATOM 1092 O LYS A 68 6.982 14.014 4.602 1.00 0.00 O ATOM 1093 CB LYS A 68 8.063 11.990 2.410 1.00 0.00 C ATOM 1094 CG LYS A 68 9.346 11.551 1.702 1.00 0.00 C ATOM 1095 CD LYS A 68 9.087 11.441 0.199 1.00 0.00 C ATOM 1096 CE LYS A 68 10.420 11.314 -0.542 1.00 0.00 C ATOM 1097 NZ LYS A 68 10.051 11.164 -1.977 1.00 0.00 N ATOM 0 H LYS A 68 8.570 10.054 3.726 1.00 0.00 H new ATOM 0 HA LYS A 68 9.187 12.835 4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.281 11.245 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.699 12.923 1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.143 12.269 1.893 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.681 10.591 2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.459 10.575 -0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.546 12.319 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.044 12.194 -0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.988 10.453 -0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.914 11.071 -2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.463 10.315 -2.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.518 12.001 -2.288 1.00 0.00 H new ATOM 1111 N TYR A 69 6.268 12.014 5.189 1.00 0.00 N ATOM 1112 CA TYR A 69 5.079 12.593 5.886 1.00 0.00 C ATOM 1113 C TYR A 69 5.507 13.166 7.242 1.00 0.00 C ATOM 1114 O TYR A 69 5.374 14.346 7.495 1.00 0.00 O ATOM 1115 CB TYR A 69 4.106 11.421 6.068 1.00 0.00 C ATOM 1116 CG TYR A 69 2.880 11.877 6.830 1.00 0.00 C ATOM 1117 CD1 TYR A 69 2.917 11.962 8.226 1.00 0.00 C ATOM 1118 CD2 TYR A 69 1.708 12.215 6.140 1.00 0.00 C ATOM 1119 CE1 TYR A 69 1.785 12.385 8.934 1.00 0.00 C ATOM 1120 CE2 TYR A 69 0.576 12.639 6.848 1.00 0.00 C ATOM 1121 CZ TYR A 69 0.615 12.723 8.244 1.00 0.00 C ATOM 1122 OH TYR A 69 -0.501 13.140 8.941 1.00 0.00 O ATOM 0 H TYR A 69 6.337 10.997 5.220 1.00 0.00 H new ATOM 0 HA TYR A 69 4.619 13.406 5.325 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.813 11.027 5.095 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.597 10.610 6.606 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.820 11.701 8.758 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.678 12.149 5.062 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.815 12.450 10.012 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.327 12.901 6.316 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.226 13.336 8.311 1.00 0.00 H new ATOM 1132 N GLU A 70 6.020 12.332 8.110 1.00 0.00 N ATOM 1133 CA GLU A 70 6.461 12.818 9.458 1.00 0.00 C ATOM 1134 C GLU A 70 7.626 13.812 9.340 1.00 0.00 C ATOM 1135 O GLU A 70 7.965 14.481 10.300 1.00 0.00 O ATOM 1136 CB GLU A 70 6.909 11.563 10.211 1.00 0.00 C ATOM 1137 CG GLU A 70 5.692 10.696 10.538 1.00 0.00 C ATOM 1138 CD GLU A 70 4.789 11.436 11.527 1.00 0.00 C ATOM 1139 OE1 GLU A 70 5.216 11.639 12.652 1.00 0.00 O ATOM 1140 OE2 GLU A 70 3.684 11.786 11.144 1.00 0.00 O ATOM 0 H GLU A 70 6.154 11.334 7.946 1.00 0.00 H new ATOM 0 HA GLU A 70 5.657 13.346 9.972 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.618 10.998 9.606 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.425 11.843 11.129 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.140 10.467 9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.013 9.745 10.964 1.00 0.00 H new ATOM 1147 N LYS A 71 8.241 13.921 8.186 1.00 0.00 N ATOM 1148 CA LYS A 71 9.379 14.876 8.033 1.00 0.00 C ATOM 1149 C LYS A 71 8.923 16.142 7.298 1.00 0.00 C ATOM 1150 O LYS A 71 9.463 17.212 7.505 1.00 0.00 O ATOM 1151 CB LYS A 71 10.419 14.121 7.205 1.00 0.00 C ATOM 1152 CG LYS A 71 10.969 12.949 8.021 1.00 0.00 C ATOM 1153 CD LYS A 71 12.016 13.463 9.011 1.00 0.00 C ATOM 1154 CE LYS A 71 12.689 12.277 9.705 1.00 0.00 C ATOM 1155 NZ LYS A 71 11.795 11.943 10.848 1.00 0.00 N ATOM 0 H LYS A 71 8.003 13.391 7.348 1.00 0.00 H new ATOM 0 HA LYS A 71 9.776 15.198 8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.969 13.756 6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.230 14.792 6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.159 12.453 8.556 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.414 12.207 7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.761 14.063 8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.545 14.111 9.750 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.795 11.431 9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.690 12.537 10.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.190 11.137 11.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.718 12.765 11.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.851 11.693 10.489 1.00 0.00 H new ATOM 1169 N ASP A 72 7.940 16.025 6.438 1.00 0.00 N ATOM 1170 CA ASP A 72 7.458 17.222 5.685 1.00 0.00 C ATOM 1171 C ASP A 72 6.187 17.794 6.321 1.00 0.00 C ATOM 1172 O ASP A 72 5.911 18.974 6.203 1.00 0.00 O ATOM 1173 CB ASP A 72 7.164 16.715 4.273 1.00 0.00 C ATOM 1174 CG ASP A 72 6.968 17.905 3.332 1.00 0.00 C ATOM 1175 OD1 ASP A 72 5.985 18.608 3.493 1.00 0.00 O ATOM 1176 OD2 ASP A 72 7.807 18.094 2.466 1.00 0.00 O ATOM 0 H ASP A 72 7.453 15.154 6.226 1.00 0.00 H new ATOM 0 HA ASP A 72 8.196 18.024 5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.986 16.091 3.921 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.270 16.091 4.278 1.00 0.00 H new ATOM 1181 N ILE A 73 5.410 16.976 6.993 1.00 0.00 N ATOM 1182 CA ILE A 73 4.160 17.495 7.632 1.00 0.00 C ATOM 1183 C ILE A 73 4.512 18.563 8.678 1.00 0.00 C ATOM 1184 O ILE A 73 3.729 19.448 8.962 1.00 0.00 O ATOM 1185 CB ILE A 73 3.474 16.269 8.266 1.00 0.00 C ATOM 1186 CG1 ILE A 73 2.041 16.643 8.657 1.00 0.00 C ATOM 1187 CG2 ILE A 73 4.233 15.794 9.513 1.00 0.00 C ATOM 1188 CD1 ILE A 73 1.133 16.523 7.432 1.00 0.00 C ATOM 0 H ILE A 73 5.586 15.980 7.125 1.00 0.00 H new ATOM 0 HA ILE A 73 3.494 17.976 6.916 1.00 0.00 H new ATOM 0 HB ILE A 73 3.470 15.458 7.537 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.686 15.987 9.452 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.012 17.661 9.047 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.727 14.928 9.939 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.251 15.519 9.237 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.261 16.597 10.250 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.113 16.789 7.708 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.485 17.197 6.651 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.154 15.498 7.063 1.00 0.00 H new