USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 37 GLN : amide:sc= -3.31 K(o=-3.3,f=-13!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -1.24 K(o=-1.2,f=-10!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -4.98 K(o=-5,f=-6.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 31 THR OG1 : rot 129:sc= -1.19 USER MOD Single : A 33 ASN : amide:sc= -0.48 K(o=-0.48,f=-5!) USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0424) USER MOD Single : A 44 ASN : amide:sc= -1.53 X(o=-1.5,f=-2!) USER MOD Single : A 45 ASN : amide:sc= -5.48! C(o=-5.5!,f=-15!) USER MOD Single : A 46 ASN : amide:sc= -0.932 K(o=-0.93,f=-2.5) USER MOD Single : A 48 GLN : amide:sc= -0.12 K(o=-0.12,f=-2!) USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= -0.0637 (180deg=-0.671) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N PRO A 10 -7.099 -7.895 -5.240 1.00 0.00 N ATOM 152 CA PRO A 10 -5.642 -8.096 -5.411 1.00 0.00 C ATOM 153 C PRO A 10 -4.865 -7.986 -4.102 1.00 0.00 C ATOM 154 O PRO A 10 -4.157 -8.913 -3.708 1.00 0.00 O ATOM 155 CB PRO A 10 -5.252 -6.987 -6.380 1.00 0.00 C ATOM 156 CG PRO A 10 -6.310 -5.904 -6.259 1.00 0.00 C ATOM 157 CD PRO A 10 -7.581 -6.579 -5.736 1.00 0.00 C ATOM 0 HA PRO A 10 -5.408 -9.098 -5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.265 -6.592 -6.138 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.202 -7.366 -7.401 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.982 -5.118 -5.578 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.493 -5.433 -7.225 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.046 -5.997 -4.941 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.326 -6.696 -6.523 1.00 0.00 H new ATOM 165 N CYS A 11 -5.000 -6.850 -3.431 1.00 0.00 N ATOM 166 CA CYS A 11 -4.299 -6.646 -2.167 1.00 0.00 C ATOM 167 C CYS A 11 -4.971 -7.438 -1.052 1.00 0.00 C ATOM 168 O CYS A 11 -6.180 -7.669 -1.068 1.00 0.00 O ATOM 169 CB CYS A 11 -4.277 -5.167 -1.777 1.00 0.00 C ATOM 170 SG CYS A 11 -2.884 -4.346 -2.590 1.00 0.00 S ATOM 0 H CYS A 11 -5.578 -6.066 -3.733 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.275 -6.993 -2.303 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.213 -4.690 -2.067 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.190 -5.067 -0.695 1.00 0.00 H new ATOM 175 N ARG A 12 -4.162 -7.847 -0.083 1.00 0.00 N ATOM 176 CA ARG A 12 -4.662 -8.613 1.054 1.00 0.00 C ATOM 177 C ARG A 12 -3.817 -8.313 2.282 1.00 0.00 C ATOM 178 O ARG A 12 -4.333 -7.999 3.355 1.00 0.00 O ATOM 179 CB ARG A 12 -4.606 -10.114 0.760 1.00 0.00 C ATOM 180 CG ARG A 12 -5.389 -10.414 -0.519 1.00 0.00 C ATOM 181 CD ARG A 12 -5.709 -11.907 -0.584 1.00 0.00 C ATOM 182 NE ARG A 12 -5.884 -12.337 -1.969 1.00 0.00 N ATOM 183 CZ ARG A 12 -6.345 -13.551 -2.257 1.00 0.00 C ATOM 184 NH1 ARG A 12 -7.401 -14.010 -1.641 1.00 0.00 N ATOM 185 NH2 ARG A 12 -5.742 -14.283 -3.152 1.00 0.00 N ATOM 0 H ARG A 12 -3.159 -7.662 -0.060 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.698 -8.327 1.235 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.570 -10.435 0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.025 -10.675 1.595 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.311 -9.833 -0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.807 -10.118 -1.392 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.904 -12.477 -0.120 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.616 -12.115 -0.016 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.649 -11.696 -2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.871 -13.438 -0.940 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.755 -14.941 -1.861 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.916 -13.925 -3.632 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.096 -15.214 -3.372 1.00 0.00 H new ATOM 199 N PHE A 13 -2.505 -8.396 2.101 1.00 0.00 N ATOM 200 CA PHE A 13 -1.571 -8.115 3.187 1.00 0.00 C ATOM 201 C PHE A 13 -0.895 -6.776 2.933 1.00 0.00 C ATOM 202 O PHE A 13 -0.400 -6.513 1.838 1.00 0.00 O ATOM 203 CB PHE A 13 -0.499 -9.204 3.290 1.00 0.00 C ATOM 204 CG PHE A 13 -1.150 -10.567 3.300 1.00 0.00 C ATOM 205 CD1 PHE A 13 -1.639 -11.101 4.498 1.00 0.00 C ATOM 206 CD2 PHE A 13 -1.266 -11.296 2.110 1.00 0.00 C ATOM 207 CE1 PHE A 13 -2.244 -12.364 4.506 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.871 -12.558 2.118 1.00 0.00 C ATOM 209 CZ PHE A 13 -2.360 -13.092 3.316 1.00 0.00 C ATOM 0 H PHE A 13 -2.064 -8.654 1.218 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.130 -8.089 4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.191 -9.127 2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.087 -9.065 4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.550 -10.539 5.416 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.888 -10.884 1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.621 -12.776 5.430 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.961 -13.120 1.200 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.827 -14.066 3.322 1.00 0.00 H new ATOM 219 N PHE A 14 -0.889 -5.925 3.950 1.00 0.00 N ATOM 220 CA PHE A 14 -0.283 -4.605 3.814 1.00 0.00 C ATOM 221 C PHE A 14 0.985 -4.494 4.643 1.00 0.00 C ATOM 222 O PHE A 14 1.015 -4.860 5.818 1.00 0.00 O ATOM 223 CB PHE A 14 -1.257 -3.520 4.268 1.00 0.00 C ATOM 224 CG PHE A 14 -2.230 -3.226 3.158 1.00 0.00 C ATOM 225 CD1 PHE A 14 -3.046 -4.243 2.648 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.313 -1.935 2.640 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.946 -3.960 1.615 1.00 0.00 C ATOM 228 CE2 PHE A 14 -3.211 -1.650 1.609 1.00 0.00 C ATOM 229 CZ PHE A 14 -4.029 -2.662 1.094 1.00 0.00 C ATOM 0 H PHE A 14 -1.291 -6.120 4.867 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.037 -4.469 2.761 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.793 -3.847 5.159 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.711 -2.616 4.537 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.981 -5.243 3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.682 -1.153 3.036 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.577 -4.742 1.219 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.274 -0.649 1.209 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.723 -2.443 0.296 1.00 0.00 H new ATOM 239 N GLU A 15 2.034 -3.970 4.019 1.00 0.00 N ATOM 240 CA GLU A 15 3.305 -3.796 4.709 1.00 0.00 C ATOM 241 C GLU A 15 3.464 -2.345 5.161 1.00 0.00 C ATOM 242 O GLU A 15 4.244 -1.581 4.592 1.00 0.00 O ATOM 243 CB GLU A 15 4.471 -4.174 3.790 1.00 0.00 C ATOM 244 CG GLU A 15 4.349 -5.645 3.389 1.00 0.00 C ATOM 245 CD GLU A 15 5.741 -6.250 3.240 1.00 0.00 C ATOM 246 OE1 GLU A 15 6.603 -5.905 4.030 1.00 0.00 O ATOM 247 OE2 GLU A 15 5.924 -7.052 2.338 1.00 0.00 O ATOM 0 H GLU A 15 2.030 -3.661 3.047 1.00 0.00 H new ATOM 0 HA GLU A 15 3.313 -4.450 5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.467 -3.542 2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.419 -4.002 4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.782 -6.192 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.801 -5.733 2.451 1.00 0.00 H new ATOM 254 N SER A 16 2.714 -1.969 6.199 1.00 0.00 N ATOM 255 CA SER A 16 2.784 -0.601 6.722 1.00 0.00 C ATOM 256 C SER A 16 4.213 -0.270 7.156 1.00 0.00 C ATOM 257 O SER A 16 4.638 0.881 7.111 1.00 0.00 O ATOM 258 CB SER A 16 1.842 -0.426 7.915 1.00 0.00 C ATOM 259 OG SER A 16 2.141 0.797 8.578 1.00 0.00 O ATOM 0 H SER A 16 2.061 -2.581 6.688 1.00 0.00 H new ATOM 0 HA SER A 16 2.479 0.078 5.926 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.806 -0.425 7.577 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.952 -1.263 8.605 1.00 0.00 H new ATOM 0 HG SER A 16 1.537 0.911 9.342 1.00 0.00 H new ATOM 265 N HIS A 17 4.956 -1.300 7.565 1.00 0.00 N ATOM 266 CA HIS A 17 6.341 -1.109 7.993 1.00 0.00 C ATOM 267 C HIS A 17 7.169 -0.449 6.885 1.00 0.00 C ATOM 268 O HIS A 17 8.203 0.165 7.149 1.00 0.00 O ATOM 269 CB HIS A 17 6.978 -2.450 8.358 1.00 0.00 C ATOM 270 CG HIS A 17 6.684 -2.768 9.800 1.00 0.00 C ATOM 271 ND1 HIS A 17 5.409 -3.087 10.241 1.00 0.00 N ATOM 272 CD2 HIS A 17 7.489 -2.818 10.911 1.00 0.00 C ATOM 273 CE1 HIS A 17 5.484 -3.314 11.565 1.00 0.00 C ATOM 274 NE2 HIS A 17 6.729 -3.163 12.024 1.00 0.00 N ATOM 0 H HIS A 17 4.626 -2.264 7.609 1.00 0.00 H new ATOM 0 HA HIS A 17 6.330 -0.459 8.868 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.588 -3.238 7.714 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.055 -2.410 8.195 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.551 -2.620 10.920 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.640 -3.585 12.182 1.00 0.00 H new ATOM 0 HE2 HIS A 17 7.053 -3.276 12.984 1.00 0.00 H new ATOM 282 N VAL A 18 6.700 -0.578 5.639 1.00 0.00 N ATOM 283 CA VAL A 18 7.394 0.010 4.497 1.00 0.00 C ATOM 284 C VAL A 18 7.596 1.510 4.707 1.00 0.00 C ATOM 285 O VAL A 18 6.874 2.155 5.467 1.00 0.00 O ATOM 286 CB VAL A 18 6.579 -0.223 3.212 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.278 0.416 2.006 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.440 -1.726 2.968 1.00 0.00 C ATOM 0 H VAL A 18 5.846 -1.083 5.400 1.00 0.00 H new ATOM 0 HA VAL A 18 8.369 -0.468 4.402 1.00 0.00 H new ATOM 0 HB VAL A 18 5.596 0.233 3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.686 0.240 1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.379 1.489 2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.266 -0.026 1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.863 -1.895 2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.429 -2.170 2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.928 -2.186 3.813 1.00 0.00 H new ATOM 298 N ALA A 19 8.587 2.046 4.013 1.00 0.00 N ATOM 299 CA ALA A 19 8.897 3.464 4.103 1.00 0.00 C ATOM 300 C ALA A 19 9.341 3.982 2.741 1.00 0.00 C ATOM 301 O ALA A 19 10.087 3.319 2.022 1.00 0.00 O ATOM 302 CB ALA A 19 10.005 3.712 5.124 1.00 0.00 C ATOM 0 H ALA A 19 9.191 1.520 3.381 1.00 0.00 H new ATOM 0 HA ALA A 19 7.999 3.992 4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.221 4.779 5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.682 3.360 6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.904 3.174 4.823 1.00 0.00 H new ATOM 308 N ARG A 20 8.863 5.176 2.398 1.00 0.00 N ATOM 309 CA ARG A 20 9.185 5.812 1.110 1.00 0.00 C ATOM 310 C ARG A 20 10.662 5.654 0.731 1.00 0.00 C ATOM 311 O ARG A 20 11.010 5.613 -0.449 1.00 0.00 O ATOM 312 CB ARG A 20 8.850 7.300 1.165 1.00 0.00 C ATOM 313 CG ARG A 20 8.506 7.802 -0.238 1.00 0.00 C ATOM 314 CD ARG A 20 8.638 9.326 -0.281 1.00 0.00 C ATOM 315 NE ARG A 20 8.959 9.777 -1.633 1.00 0.00 N ATOM 316 CZ ARG A 20 9.819 10.770 -1.837 1.00 0.00 C ATOM 317 NH1 ARG A 20 9.415 12.009 -1.774 1.00 0.00 N ATOM 318 NH2 ARG A 20 11.071 10.505 -2.101 1.00 0.00 N ATOM 0 H ARG A 20 8.248 5.730 2.994 1.00 0.00 H new ATOM 0 HA ARG A 20 8.585 5.309 0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.010 7.469 1.839 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.696 7.859 1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.172 7.348 -0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.491 7.507 -0.503 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.707 9.786 0.050 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.417 9.649 0.410 1.00 0.00 H new ATOM 0 HE ARG A 20 8.517 9.323 -2.432 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.438 12.217 -1.568 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.076 12.770 -1.931 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.388 9.537 -2.150 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.731 11.266 -2.258 1.00 0.00 H new ATOM 332 N ALA A 21 11.523 5.566 1.741 1.00 0.00 N ATOM 333 CA ALA A 21 12.956 5.416 1.495 1.00 0.00 C ATOM 334 C ALA A 21 13.242 4.138 0.710 1.00 0.00 C ATOM 335 O ALA A 21 13.752 4.180 -0.409 1.00 0.00 O ATOM 336 CB ALA A 21 13.724 5.370 2.816 1.00 0.00 C ATOM 0 H ALA A 21 11.259 5.595 2.726 1.00 0.00 H new ATOM 0 HA ALA A 21 13.283 6.277 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.789 5.258 2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.555 6.295 3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.377 4.524 3.410 1.00 0.00 H new ATOM 342 N ASN A 22 12.910 3.003 1.314 1.00 0.00 N ATOM 343 CA ASN A 22 13.139 1.713 0.672 1.00 0.00 C ATOM 344 C ASN A 22 12.107 1.433 -0.424 1.00 0.00 C ATOM 345 O ASN A 22 12.241 0.466 -1.169 1.00 0.00 O ATOM 346 CB ASN A 22 13.089 0.592 1.711 1.00 0.00 C ATOM 347 CG ASN A 22 11.737 0.596 2.420 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.410 1.535 3.143 1.00 0.00 O ATOM 349 ND2 ASN A 22 10.927 -0.414 2.252 1.00 0.00 N ATOM 0 H ASN A 22 12.485 2.949 2.240 1.00 0.00 H new ATOM 0 HA ASN A 22 14.126 1.749 0.211 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.252 -0.371 1.227 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.890 0.723 2.438 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.021 -0.425 2.721 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.200 -1.192 1.652 1.00 0.00 H new ATOM 356 N VAL A 23 11.082 2.281 -0.532 1.00 0.00 N ATOM 357 CA VAL A 23 10.068 2.082 -1.565 1.00 0.00 C ATOM 358 C VAL A 23 10.650 2.466 -2.921 1.00 0.00 C ATOM 359 O VAL A 23 11.349 3.471 -3.051 1.00 0.00 O ATOM 360 CB VAL A 23 8.819 2.925 -1.275 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.743 2.650 -2.331 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.268 2.564 0.112 1.00 0.00 C ATOM 0 H VAL A 23 10.935 3.093 0.068 1.00 0.00 H new ATOM 0 HA VAL A 23 9.775 1.032 -1.572 1.00 0.00 H new ATOM 0 HB VAL A 23 9.090 3.981 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.860 3.253 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.128 2.908 -3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.475 1.594 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.381 3.163 0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.005 1.506 0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.026 2.766 0.869 1.00 0.00 H new ATOM 372 N LYS A 24 10.366 1.647 -3.927 1.00 0.00 N ATOM 373 CA LYS A 24 10.879 1.899 -5.269 1.00 0.00 C ATOM 374 C LYS A 24 9.909 2.777 -6.054 1.00 0.00 C ATOM 375 O LYS A 24 10.274 3.847 -6.539 1.00 0.00 O ATOM 376 CB LYS A 24 11.093 0.575 -6.018 1.00 0.00 C ATOM 377 CG LYS A 24 12.465 0.578 -6.704 1.00 0.00 C ATOM 378 CD LYS A 24 12.307 0.986 -8.171 1.00 0.00 C ATOM 379 CE LYS A 24 12.572 2.485 -8.318 1.00 0.00 C ATOM 380 NZ LYS A 24 12.997 2.779 -9.716 1.00 0.00 N ATOM 0 H LYS A 24 9.789 0.810 -3.841 1.00 0.00 H new ATOM 0 HA LYS A 24 11.834 2.416 -5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.027 -0.261 -5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.306 0.436 -6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.136 1.270 -6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.917 -0.411 -6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.001 0.421 -8.793 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.302 0.748 -8.519 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.673 3.050 -8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.346 2.799 -7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.177 3.798 -9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.866 2.250 -9.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.245 2.494 -10.375 1.00 0.00 H new ATOM 394 N HIS A 25 8.668 2.316 -6.171 1.00 0.00 N ATOM 395 CA HIS A 25 7.661 3.083 -6.900 1.00 0.00 C ATOM 396 C HIS A 25 6.260 2.767 -6.387 1.00 0.00 C ATOM 397 O HIS A 25 6.040 1.755 -5.722 1.00 0.00 O ATOM 398 CB HIS A 25 7.731 2.784 -8.403 1.00 0.00 C ATOM 399 CG HIS A 25 7.543 1.311 -8.647 1.00 0.00 C ATOM 400 ND1 HIS A 25 8.568 0.502 -9.111 1.00 0.00 N ATOM 401 CD2 HIS A 25 6.451 0.490 -8.505 1.00 0.00 C ATOM 402 CE1 HIS A 25 8.077 -0.745 -9.232 1.00 0.00 C ATOM 403 NE2 HIS A 25 6.791 -0.807 -8.876 1.00 0.00 N ATOM 0 H HIS A 25 8.338 1.434 -5.780 1.00 0.00 H new ATOM 0 HA HIS A 25 7.870 4.140 -6.735 1.00 0.00 H new ATOM 0 HB2 HIS A 25 6.962 3.349 -8.930 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.693 3.107 -8.801 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.477 0.803 -8.158 1.00 0.00 H new ATOM 0 HE1 HIS A 25 8.652 -1.592 -9.575 1.00 0.00 H new ATOM 0 HE2 HIS A 25 6.187 -1.629 -8.876 1.00 0.00 H new ATOM 411 N LEU A 26 5.315 3.650 -6.703 1.00 0.00 N ATOM 412 CA LEU A 26 3.937 3.457 -6.267 1.00 0.00 C ATOM 413 C LEU A 26 3.032 3.124 -7.442 1.00 0.00 C ATOM 414 O LEU A 26 3.193 3.649 -8.544 1.00 0.00 O ATOM 415 CB LEU A 26 3.392 4.716 -5.593 1.00 0.00 C ATOM 416 CG LEU A 26 3.988 4.882 -4.192 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.410 6.143 -3.546 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.631 3.672 -3.324 1.00 0.00 C ATOM 0 H LEU A 26 5.476 4.495 -7.252 1.00 0.00 H new ATOM 0 HA LEU A 26 3.945 2.629 -5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.628 5.590 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.306 4.658 -5.527 1.00 0.00 H new ATOM 0 HG LEU A 26 5.072 4.963 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.831 6.266 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.660 7.011 -4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.326 6.051 -3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.059 3.799 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.547 3.588 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.032 2.767 -3.779 1.00 0.00 H new ATOM 430 N LYS A 27 2.066 2.256 -7.181 1.00 0.00 N ATOM 431 CA LYS A 27 1.110 1.857 -8.207 1.00 0.00 C ATOM 432 C LYS A 27 -0.254 1.594 -7.575 1.00 0.00 C ATOM 433 O LYS A 27 -0.358 1.365 -6.370 1.00 0.00 O ATOM 434 CB LYS A 27 1.585 0.591 -8.924 1.00 0.00 C ATOM 435 CG LYS A 27 2.522 0.976 -10.071 1.00 0.00 C ATOM 436 CD LYS A 27 2.719 -0.226 -10.997 1.00 0.00 C ATOM 437 CE LYS A 27 1.721 -0.148 -12.154 1.00 0.00 C ATOM 438 NZ LYS A 27 2.182 -1.026 -13.267 1.00 0.00 N ATOM 0 H LYS A 27 1.922 1.815 -6.272 1.00 0.00 H new ATOM 0 HA LYS A 27 1.029 2.667 -8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.101 -0.065 -8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.730 0.036 -9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.105 1.814 -10.630 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.483 1.304 -9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.739 -0.238 -11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.577 -1.153 -10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.732 -0.459 -11.817 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.631 0.881 -12.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.504 -0.974 -14.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.117 -0.710 -13.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.247 -2.008 -12.931 1.00 0.00 H new ATOM 452 N ILE A 28 -1.299 1.631 -8.396 1.00 0.00 N ATOM 453 CA ILE A 28 -2.649 1.393 -7.901 1.00 0.00 C ATOM 454 C ILE A 28 -3.345 0.337 -8.754 1.00 0.00 C ATOM 455 O ILE A 28 -3.253 0.351 -9.982 1.00 0.00 O ATOM 456 CB ILE A 28 -3.467 2.685 -7.934 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.712 3.785 -7.182 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.820 2.450 -7.262 1.00 0.00 C ATOM 459 CD1 ILE A 28 -3.449 5.116 -7.344 1.00 0.00 C ATOM 0 H ILE A 28 -1.238 1.821 -9.396 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.577 1.040 -6.872 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.622 2.990 -8.969 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.632 3.528 -6.126 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.696 3.871 -7.567 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.403 3.371 -7.286 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.359 1.666 -7.794 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.664 2.146 -6.227 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.910 5.898 -6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.506 5.374 -8.401 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.456 5.026 -6.938 1.00 0.00 H new ATOM 471 N LEU A 29 -4.045 -0.576 -8.090 1.00 0.00 N ATOM 472 CA LEU A 29 -4.757 -1.636 -8.797 1.00 0.00 C ATOM 473 C LEU A 29 -6.263 -1.453 -8.640 1.00 0.00 C ATOM 474 O LEU A 29 -6.783 -1.376 -7.526 1.00 0.00 O ATOM 475 CB LEU A 29 -4.353 -3.014 -8.250 1.00 0.00 C ATOM 476 CG LEU A 29 -3.302 -3.668 -9.162 1.00 0.00 C ATOM 477 CD1 LEU A 29 -3.887 -3.881 -10.560 1.00 0.00 C ATOM 478 CD2 LEU A 29 -2.061 -2.772 -9.258 1.00 0.00 C ATOM 0 H LEU A 29 -4.135 -0.605 -7.074 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.492 -1.579 -9.853 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.953 -2.909 -7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.231 -3.656 -8.179 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.018 -4.631 -8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.137 -4.345 -11.201 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.760 -4.530 -10.494 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.181 -2.920 -10.982 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.322 -3.243 -9.906 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.342 -1.804 -9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.636 -2.632 -8.264 1.00 0.00 H new ATOM 490 N ASN A 30 -6.958 -1.384 -9.771 1.00 0.00 N ATOM 491 CA ASN A 30 -8.407 -1.211 -9.754 1.00 0.00 C ATOM 492 C ASN A 30 -9.097 -2.548 -9.501 1.00 0.00 C ATOM 493 O ASN A 30 -8.730 -3.571 -10.078 1.00 0.00 O ATOM 494 CB ASN A 30 -8.896 -0.641 -11.086 1.00 0.00 C ATOM 495 CG ASN A 30 -10.223 0.080 -10.874 1.00 0.00 C ATOM 496 OD1 ASN A 30 -11.236 -0.547 -10.567 1.00 0.00 O ATOM 497 ND2 ASN A 30 -10.279 1.376 -11.021 1.00 0.00 N ATOM 0 H ASN A 30 -6.547 -1.444 -10.702 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.654 -0.515 -8.952 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.156 0.049 -11.492 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.018 -1.443 -11.814 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.162 1.867 -10.881 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.440 1.897 -11.275 1.00 0.00 H new ATOM 504 N THR A 31 -10.096 -2.525 -8.627 1.00 0.00 N ATOM 505 CA THR A 31 -10.834 -3.739 -8.294 1.00 0.00 C ATOM 506 C THR A 31 -12.304 -3.403 -8.018 1.00 0.00 C ATOM 507 O THR A 31 -12.599 -2.375 -7.409 1.00 0.00 O ATOM 508 CB THR A 31 -10.229 -4.393 -7.049 1.00 0.00 C ATOM 509 OG1 THR A 31 -8.822 -4.507 -7.212 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.832 -5.781 -6.842 1.00 0.00 C ATOM 0 H THR A 31 -10.412 -1.687 -8.139 1.00 0.00 H new ATOM 0 HA THR A 31 -10.770 -4.427 -9.137 1.00 0.00 H new ATOM 0 HB THR A 31 -10.449 -3.776 -6.178 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.370 -4.131 -6.428 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.396 -6.239 -5.954 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.911 -5.693 -6.712 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.621 -6.403 -7.712 1.00 0.00 H new ATOM 518 N PRO A 32 -13.251 -4.253 -8.455 1.00 0.00 N ATOM 519 CA PRO A 32 -14.689 -4.007 -8.228 1.00 0.00 C ATOM 520 C PRO A 32 -15.140 -4.452 -6.842 1.00 0.00 C ATOM 521 O PRO A 32 -15.783 -3.700 -6.108 1.00 0.00 O ATOM 522 CB PRO A 32 -15.350 -4.847 -9.311 1.00 0.00 C ATOM 523 CG PRO A 32 -14.366 -5.946 -9.686 1.00 0.00 C ATOM 524 CD PRO A 32 -12.982 -5.510 -9.198 1.00 0.00 C ATOM 0 HA PRO A 32 -14.944 -2.948 -8.274 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.286 -5.274 -8.950 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.593 -4.235 -10.179 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.654 -6.892 -9.227 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.360 -6.104 -10.764 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.527 -6.265 -8.557 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.298 -5.345 -10.030 1.00 0.00 H new ATOM 532 N ASN A 33 -14.788 -5.683 -6.490 1.00 0.00 N ATOM 533 CA ASN A 33 -15.149 -6.231 -5.189 1.00 0.00 C ATOM 534 C ASN A 33 -14.562 -5.382 -4.060 1.00 0.00 C ATOM 535 O ASN A 33 -15.089 -5.357 -2.948 1.00 0.00 O ATOM 536 CB ASN A 33 -14.634 -7.665 -5.052 1.00 0.00 C ATOM 537 CG ASN A 33 -15.287 -8.545 -6.113 1.00 0.00 C ATOM 538 OD1 ASN A 33 -15.705 -8.057 -7.163 1.00 0.00 O ATOM 539 ND2 ASN A 33 -15.401 -9.827 -5.899 1.00 0.00 N ATOM 0 H ASN A 33 -14.255 -6.318 -7.085 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.237 -6.224 -5.116 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.550 -7.685 -5.165 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.859 -8.050 -4.057 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.836 -10.425 -6.602 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.055 -10.232 -5.029 1.00 0.00 H new ATOM 546 N CYS A 34 -13.464 -4.687 -4.357 1.00 0.00 N ATOM 547 CA CYS A 34 -12.814 -3.842 -3.358 1.00 0.00 C ATOM 548 C CYS A 34 -12.670 -2.417 -3.883 1.00 0.00 C ATOM 549 O CYS A 34 -13.092 -2.103 -4.994 1.00 0.00 O ATOM 550 CB CYS A 34 -11.421 -4.382 -3.024 1.00 0.00 C ATOM 551 SG CYS A 34 -11.566 -5.793 -1.901 1.00 0.00 S ATOM 0 H CYS A 34 -13.011 -4.692 -5.271 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.434 -3.845 -2.461 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.909 -4.683 -3.938 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.818 -3.599 -2.564 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.381 -6.249 -1.622 1.00 0.00 H new ATOM 556 N ALA A 35 -12.059 -1.561 -3.070 1.00 0.00 N ATOM 557 CA ALA A 35 -11.847 -0.172 -3.460 1.00 0.00 C ATOM 558 C ALA A 35 -10.476 -0.031 -4.123 1.00 0.00 C ATOM 559 O ALA A 35 -9.881 -1.023 -4.547 1.00 0.00 O ATOM 560 CB ALA A 35 -11.924 0.742 -2.232 1.00 0.00 C ATOM 0 H ALA A 35 -11.705 -1.802 -2.144 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.625 0.121 -4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.764 1.776 -2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.907 0.648 -1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.156 0.453 -1.514 1.00 0.00 H new ATOM 566 N LEU A 36 -9.971 1.198 -4.208 1.00 0.00 N ATOM 567 CA LEU A 36 -8.665 1.423 -4.818 1.00 0.00 C ATOM 568 C LEU A 36 -7.563 1.067 -3.825 1.00 0.00 C ATOM 569 O LEU A 36 -7.220 1.854 -2.943 1.00 0.00 O ATOM 570 CB LEU A 36 -8.508 2.887 -5.234 1.00 0.00 C ATOM 571 CG LEU A 36 -9.069 3.084 -6.648 1.00 0.00 C ATOM 572 CD1 LEU A 36 -10.479 3.672 -6.565 1.00 0.00 C ATOM 573 CD2 LEU A 36 -8.165 4.041 -7.429 1.00 0.00 C ATOM 0 H LEU A 36 -10.437 2.039 -3.868 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.587 0.791 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.033 3.534 -4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.456 3.173 -5.206 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.107 2.121 -7.157 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.875 3.811 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.125 2.991 -6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.443 4.634 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.564 4.180 -8.434 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.125 5.003 -6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.161 3.622 -7.493 1.00 0.00 H new ATOM 585 N GLN A 37 -7.017 -0.135 -3.981 1.00 0.00 N ATOM 586 CA GLN A 37 -5.954 -0.603 -3.097 1.00 0.00 C ATOM 587 C GLN A 37 -4.596 -0.165 -3.638 1.00 0.00 C ATOM 588 O GLN A 37 -4.160 -0.617 -4.697 1.00 0.00 O ATOM 589 CB GLN A 37 -5.990 -2.133 -2.981 1.00 0.00 C ATOM 590 CG GLN A 37 -7.403 -2.583 -2.595 1.00 0.00 C ATOM 591 CD GLN A 37 -7.507 -4.098 -2.707 1.00 0.00 C ATOM 592 OE1 GLN A 37 -6.860 -4.708 -3.555 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.291 -4.748 -1.892 1.00 0.00 N ATOM 0 H GLN A 37 -7.290 -0.799 -4.706 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.108 -0.168 -2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.698 -2.587 -3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.273 -2.469 -2.232 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.630 -2.267 -1.577 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.137 -2.109 -3.247 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.828 -4.241 -1.188 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.367 -5.763 -1.958 1.00 0.00 H new ATOM 602 N ILE A 38 -3.939 0.733 -2.905 1.00 0.00 N ATOM 603 CA ILE A 38 -2.636 1.236 -3.336 1.00 0.00 C ATOM 604 C ILE A 38 -1.574 0.149 -3.225 1.00 0.00 C ATOM 605 O ILE A 38 -1.295 -0.372 -2.141 1.00 0.00 O ATOM 606 CB ILE A 38 -2.193 2.440 -2.498 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.306 3.494 -2.472 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.933 3.052 -3.120 1.00 0.00 C ATOM 609 CD1 ILE A 38 -3.203 4.309 -1.181 1.00 0.00 C ATOM 0 H ILE A 38 -4.280 1.121 -2.026 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.744 1.545 -4.376 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.983 2.112 -1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.220 4.151 -3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.281 3.011 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.614 3.909 -2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.137 2.307 -3.138 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.150 3.376 -4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.993 5.059 -1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.310 3.646 -0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.232 4.803 -1.139 1.00 0.00 H new ATOM 621 N VAL A 39 -0.963 -0.159 -4.360 1.00 0.00 N ATOM 622 CA VAL A 39 0.093 -1.159 -4.391 1.00 0.00 C ATOM 623 C VAL A 39 1.436 -0.452 -4.453 1.00 0.00 C ATOM 624 O VAL A 39 1.499 0.769 -4.600 1.00 0.00 O ATOM 625 CB VAL A 39 -0.062 -2.100 -5.596 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.398 -2.840 -5.498 1.00 0.00 C ATOM 627 CG2 VAL A 39 -0.024 -1.300 -6.901 1.00 0.00 C ATOM 0 H VAL A 39 -1.178 0.265 -5.263 1.00 0.00 H new ATOM 0 HA VAL A 39 0.029 -1.766 -3.488 1.00 0.00 H new ATOM 0 HB VAL A 39 0.760 -2.816 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.508 -3.507 -6.353 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.425 -3.422 -4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.214 -2.118 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.135 -1.978 -7.747 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.838 -0.576 -6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.928 -0.776 -6.979 1.00 0.00 H new ATOM 637 N ALA A 40 2.509 -1.216 -4.324 1.00 0.00 N ATOM 638 CA ALA A 40 3.836 -0.622 -4.351 1.00 0.00 C ATOM 639 C ALA A 40 4.896 -1.657 -4.663 1.00 0.00 C ATOM 640 O ALA A 40 4.603 -2.836 -4.845 1.00 0.00 O ATOM 641 CB ALA A 40 4.157 -0.009 -2.993 1.00 0.00 C ATOM 0 H ALA A 40 2.490 -2.228 -4.202 1.00 0.00 H new ATOM 0 HA ALA A 40 3.838 0.141 -5.129 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.152 0.434 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.423 0.762 -2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.126 -0.784 -2.227 1.00 0.00 H new ATOM 647 N ARG A 41 6.136 -1.189 -4.702 1.00 0.00 N ATOM 648 CA ARG A 41 7.273 -2.059 -4.969 1.00 0.00 C ATOM 649 C ARG A 41 8.462 -1.616 -4.122 1.00 0.00 C ATOM 650 O ARG A 41 8.961 -0.498 -4.266 1.00 0.00 O ATOM 651 CB ARG A 41 7.648 -2.019 -6.451 1.00 0.00 C ATOM 652 CG ARG A 41 8.780 -3.020 -6.736 1.00 0.00 C ATOM 653 CD ARG A 41 8.417 -3.886 -7.945 1.00 0.00 C ATOM 654 NE ARG A 41 9.595 -4.139 -8.770 1.00 0.00 N ATOM 655 CZ ARG A 41 9.480 -4.401 -10.069 1.00 0.00 C ATOM 656 NH1 ARG A 41 8.515 -5.171 -10.494 1.00 0.00 N ATOM 657 NH2 ARG A 41 10.328 -3.888 -10.917 1.00 0.00 N ATOM 0 H ARG A 41 6.380 -0.210 -4.552 1.00 0.00 H new ATOM 0 HA ARG A 41 7.000 -3.082 -4.711 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.777 -2.259 -7.061 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.963 -1.013 -6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.711 -2.485 -6.927 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.948 -3.651 -5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.993 -4.832 -7.607 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.651 -3.388 -8.539 1.00 0.00 H new ATOM 0 HE ARG A 41 10.521 -4.114 -8.343 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.851 -5.570 -9.830 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.425 -5.373 -11.490 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.080 -3.285 -10.584 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.239 -4.090 -11.913 1.00 0.00 H new ATOM 671 N LEU A 42 8.890 -2.505 -3.221 1.00 0.00 N ATOM 672 CA LEU A 42 10.001 -2.209 -2.323 1.00 0.00 C ATOM 673 C LEU A 42 11.346 -2.377 -3.024 1.00 0.00 C ATOM 674 O LEU A 42 11.444 -3.004 -4.081 1.00 0.00 O ATOM 675 CB LEU A 42 9.957 -3.137 -1.112 1.00 0.00 C ATOM 676 CG LEU A 42 8.577 -3.070 -0.454 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.516 -4.069 0.701 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.332 -1.659 0.087 1.00 0.00 C ATOM 0 H LEU A 42 8.483 -3.432 -3.097 1.00 0.00 H new ATOM 0 HA LEU A 42 9.898 -1.171 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.174 -4.160 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.726 -2.850 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 42 7.814 -3.314 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.534 -4.022 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.689 -5.076 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.282 -3.822 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.349 -1.614 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.096 -1.414 0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.376 -0.942 -0.733 1.00 0.00 H new ATOM 690 N LYS A 43 12.374 -1.791 -2.409 1.00 0.00 N ATOM 691 CA LYS A 43 13.730 -1.837 -2.954 1.00 0.00 C ATOM 692 C LYS A 43 14.624 -2.790 -2.164 1.00 0.00 C ATOM 693 O LYS A 43 15.177 -3.743 -2.712 1.00 0.00 O ATOM 694 CB LYS A 43 14.350 -0.436 -2.903 1.00 0.00 C ATOM 695 CG LYS A 43 15.303 -0.232 -4.081 1.00 0.00 C ATOM 696 CD LYS A 43 16.455 -1.239 -4.004 1.00 0.00 C ATOM 697 CE LYS A 43 17.462 -0.947 -5.117 1.00 0.00 C ATOM 698 NZ LYS A 43 18.313 0.214 -4.729 1.00 0.00 N ATOM 0 H LYS A 43 12.292 -1.278 -1.531 1.00 0.00 H new ATOM 0 HA LYS A 43 13.660 -2.194 -3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.563 0.318 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.888 -0.303 -1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.764 -0.355 -5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.696 0.784 -4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.943 -1.176 -3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.072 -2.255 -4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 43 18.085 -1.823 -5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.938 -0.732 -6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.082 0.327 -5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.734 1.078 -4.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 18.717 0.048 -3.785 1.00 0.00 H new ATOM 712 N ASN A 44 14.776 -2.500 -0.869 1.00 0.00 N ATOM 713 CA ASN A 44 15.627 -3.309 0.022 1.00 0.00 C ATOM 714 C ASN A 44 15.449 -4.810 -0.216 1.00 0.00 C ATOM 715 O ASN A 44 16.387 -5.593 -0.062 1.00 0.00 O ATOM 716 CB ASN A 44 15.298 -3.003 1.485 1.00 0.00 C ATOM 717 CG ASN A 44 16.071 -1.768 1.933 1.00 0.00 C ATOM 718 OD1 ASN A 44 17.202 -1.546 1.502 1.00 0.00 O ATOM 719 ND2 ASN A 44 15.522 -0.940 2.780 1.00 0.00 N ATOM 0 H ASN A 44 14.322 -1.711 -0.409 1.00 0.00 H new ATOM 0 HA ASN A 44 16.661 -3.045 -0.201 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.227 -2.836 1.601 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.558 -3.855 2.113 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.031 -0.110 3.084 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.585 -1.123 3.138 1.00 0.00 H new ATOM 726 N ASN A 45 14.238 -5.194 -0.596 1.00 0.00 N ATOM 727 CA ASN A 45 13.943 -6.603 -0.858 1.00 0.00 C ATOM 728 C ASN A 45 13.632 -6.826 -2.335 1.00 0.00 C ATOM 729 O ASN A 45 13.861 -7.908 -2.874 1.00 0.00 O ATOM 730 CB ASN A 45 12.750 -7.066 -0.021 1.00 0.00 C ATOM 731 CG ASN A 45 11.581 -6.109 -0.219 1.00 0.00 C ATOM 732 OD1 ASN A 45 11.720 -4.905 -0.012 1.00 0.00 O ATOM 733 ND2 ASN A 45 10.428 -6.578 -0.605 1.00 0.00 N ATOM 0 H ASN A 45 13.450 -4.561 -0.730 1.00 0.00 H new ATOM 0 HA ASN A 45 14.825 -7.183 -0.586 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.459 -8.075 -0.312 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.026 -7.105 1.033 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.638 -5.946 -0.736 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.315 -7.577 -0.776 1.00 0.00 H new ATOM 740 N ASN A 46 13.098 -5.788 -2.981 1.00 0.00 N ATOM 741 CA ASN A 46 12.745 -5.864 -4.402 1.00 0.00 C ATOM 742 C ASN A 46 11.534 -6.768 -4.592 1.00 0.00 C ATOM 743 O ASN A 46 11.664 -7.951 -4.905 1.00 0.00 O ATOM 744 CB ASN A 46 13.909 -6.400 -5.248 1.00 0.00 C ATOM 745 CG ASN A 46 15.188 -5.647 -4.897 1.00 0.00 C ATOM 746 OD1 ASN A 46 15.305 -4.452 -5.166 1.00 0.00 O ATOM 747 ND2 ASN A 46 16.163 -6.281 -4.305 1.00 0.00 N ATOM 0 H ASN A 46 12.900 -4.887 -2.546 1.00 0.00 H new ATOM 0 HA ASN A 46 12.514 -4.852 -4.735 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.042 -7.467 -5.067 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.685 -6.282 -6.308 1.00 0.00 H new ATOM 0 HD21 ASN A 46 17.022 -5.786 -4.065 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.066 -7.272 -4.082 1.00 0.00 H new ATOM 754 N ARG A 47 10.353 -6.191 -4.397 1.00 0.00 N ATOM 755 CA ARG A 47 9.111 -6.948 -4.544 1.00 0.00 C ATOM 756 C ARG A 47 7.912 -6.013 -4.441 1.00 0.00 C ATOM 757 O ARG A 47 8.023 -4.897 -3.940 1.00 0.00 O ATOM 758 CB ARG A 47 9.006 -8.027 -3.461 1.00 0.00 C ATOM 759 CG ARG A 47 9.479 -9.371 -4.023 1.00 0.00 C ATOM 760 CD ARG A 47 8.651 -10.506 -3.415 1.00 0.00 C ATOM 761 NE ARG A 47 8.379 -11.536 -4.415 1.00 0.00 N ATOM 762 CZ ARG A 47 7.242 -12.226 -4.395 1.00 0.00 C ATOM 763 NH1 ARG A 47 6.128 -11.659 -4.770 1.00 0.00 N ATOM 764 NH2 ARG A 47 7.240 -13.470 -4.002 1.00 0.00 N ATOM 0 H ARG A 47 10.228 -5.212 -4.139 1.00 0.00 H new ATOM 0 HA ARG A 47 9.117 -7.426 -5.523 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.611 -7.750 -2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.976 -8.109 -3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.380 -9.377 -5.108 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.535 -9.518 -3.798 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.186 -10.942 -2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.712 -10.111 -3.027 1.00 0.00 H new ATOM 0 HE ARG A 47 9.071 -11.729 -5.139 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.129 -10.687 -5.078 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.256 -12.188 -4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.111 -13.914 -3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.368 -13.999 -3.987 1.00 0.00 H new ATOM 778 N GLN A 48 6.763 -6.477 -4.927 1.00 0.00 N ATOM 779 CA GLN A 48 5.552 -5.664 -4.888 1.00 0.00 C ATOM 780 C GLN A 48 4.780 -5.893 -3.590 1.00 0.00 C ATOM 781 O GLN A 48 4.595 -7.031 -3.158 1.00 0.00 O ATOM 782 CB GLN A 48 4.644 -5.996 -6.073 1.00 0.00 C ATOM 783 CG GLN A 48 3.495 -4.989 -6.140 1.00 0.00 C ATOM 784 CD GLN A 48 2.353 -5.572 -6.964 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.176 -6.789 -7.017 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.560 -4.769 -7.618 1.00 0.00 N ATOM 0 H GLN A 48 6.646 -7.399 -5.347 1.00 0.00 H new ATOM 0 HA GLN A 48 5.856 -4.619 -4.943 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.216 -5.971 -7.000 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.249 -7.007 -5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.147 -4.751 -5.135 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.840 -4.057 -6.587 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.706 -3.760 -7.574 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.794 -5.150 -8.173 1.00 0.00 H new ATOM 795 N VAL A 49 4.325 -4.800 -2.974 1.00 0.00 N ATOM 796 CA VAL A 49 3.568 -4.910 -1.724 1.00 0.00 C ATOM 797 C VAL A 49 2.488 -3.838 -1.639 1.00 0.00 C ATOM 798 O VAL A 49 2.576 -2.793 -2.279 1.00 0.00 O ATOM 799 CB VAL A 49 4.484 -4.755 -0.505 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.339 -6.008 -0.342 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.390 -3.534 -0.687 1.00 0.00 C ATOM 0 H VAL A 49 4.463 -3.847 -3.311 1.00 0.00 H new ATOM 0 HA VAL A 49 3.112 -5.900 -1.722 1.00 0.00 H new ATOM 0 HB VAL A 49 3.872 -4.617 0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.989 -5.895 0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.692 -6.874 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.947 -6.152 -1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.039 -3.429 0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.000 -3.664 -1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.777 -2.639 -0.792 1.00 0.00 H new ATOM 811 N CYS A 50 1.479 -4.105 -0.813 1.00 0.00 N ATOM 812 CA CYS A 50 0.396 -3.152 -0.614 1.00 0.00 C ATOM 813 C CYS A 50 0.743 -2.264 0.570 1.00 0.00 C ATOM 814 O CYS A 50 0.962 -2.755 1.678 1.00 0.00 O ATOM 815 CB CYS A 50 -0.922 -3.878 -0.330 1.00 0.00 C ATOM 816 SG CYS A 50 -1.255 -5.078 -1.647 1.00 0.00 S ATOM 0 H CYS A 50 1.391 -4.967 -0.275 1.00 0.00 H new ATOM 0 HA CYS A 50 0.274 -2.557 -1.519 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.868 -4.386 0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.738 -3.158 -0.266 1.00 0.00 H new ATOM 821 N ILE A 51 0.816 -0.957 0.334 1.00 0.00 N ATOM 822 CA ILE A 51 1.167 -0.043 1.417 1.00 0.00 C ATOM 823 C ILE A 51 -0.073 0.430 2.151 1.00 0.00 C ATOM 824 O ILE A 51 -1.157 0.538 1.578 1.00 0.00 O ATOM 825 CB ILE A 51 1.944 1.167 0.903 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.105 0.695 0.031 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.509 1.942 2.094 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.772 1.902 -0.616 1.00 0.00 C ATOM 0 H ILE A 51 0.643 -0.516 -0.569 1.00 0.00 H new ATOM 0 HA ILE A 51 1.804 -0.597 2.106 1.00 0.00 H new ATOM 0 HB ILE A 51 1.279 1.804 0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.828 0.146 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.744 0.010 -0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.065 2.808 1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.691 2.276 2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.174 1.295 2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.602 1.569 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.046 2.432 -1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.147 2.570 0.160 1.00 0.00 H new ATOM 840 N ASP A 52 0.105 0.691 3.439 1.00 0.00 N ATOM 841 CA ASP A 52 -0.996 1.132 4.280 1.00 0.00 C ATOM 842 C ASP A 52 -1.274 2.624 4.064 1.00 0.00 C ATOM 843 O ASP A 52 -0.342 3.414 3.905 1.00 0.00 O ATOM 844 CB ASP A 52 -0.650 0.886 5.757 1.00 0.00 C ATOM 845 CG ASP A 52 -1.740 0.044 6.418 1.00 0.00 C ATOM 846 OD1 ASP A 52 -2.091 -0.980 5.857 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.206 0.437 7.475 1.00 0.00 O ATOM 0 H ASP A 52 0.999 0.605 3.922 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.887 0.565 4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.311 0.377 5.834 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.549 1.838 6.278 1.00 0.00 H new ATOM 852 N PRO A 53 -2.553 3.039 4.066 1.00 0.00 N ATOM 853 CA PRO A 53 -2.919 4.458 3.880 1.00 0.00 C ATOM 854 C PRO A 53 -2.676 5.287 5.141 1.00 0.00 C ATOM 855 O PRO A 53 -2.533 6.508 5.079 1.00 0.00 O ATOM 856 CB PRO A 53 -4.404 4.391 3.551 1.00 0.00 C ATOM 857 CG PRO A 53 -4.924 3.087 4.130 1.00 0.00 C ATOM 858 CD PRO A 53 -3.727 2.143 4.256 1.00 0.00 C ATOM 0 HA PRO A 53 -2.322 4.944 3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.933 5.242 3.979 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.563 4.426 2.473 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.387 3.255 5.103 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.688 2.656 3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.704 1.653 5.229 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.756 1.356 3.503 1.00 0.00 H new ATOM 866 N LYS A 54 -2.630 4.607 6.286 1.00 0.00 N ATOM 867 CA LYS A 54 -2.401 5.287 7.557 1.00 0.00 C ATOM 868 C LYS A 54 -0.908 5.548 7.796 1.00 0.00 C ATOM 869 O LYS A 54 -0.537 6.148 8.805 1.00 0.00 O ATOM 870 CB LYS A 54 -2.947 4.447 8.713 1.00 0.00 C ATOM 871 CG LYS A 54 -3.336 5.368 9.872 1.00 0.00 C ATOM 872 CD LYS A 54 -3.144 4.628 11.198 1.00 0.00 C ATOM 873 CE LYS A 54 -4.232 3.566 11.353 1.00 0.00 C ATOM 874 NZ LYS A 54 -5.557 4.230 11.511 1.00 0.00 N ATOM 0 H LYS A 54 -2.747 3.596 6.359 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.921 6.244 7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.813 3.874 8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.196 3.729 9.041 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.724 6.270 9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.374 5.684 9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.159 4.162 11.227 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.188 5.332 12.029 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.243 2.912 10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.022 2.939 12.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.204 3.596 12.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.441 5.112 12.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.951 4.446 10.573 1.00 0.00 H new ATOM 888 N LEU A 55 -0.048 5.101 6.869 1.00 0.00 N ATOM 889 CA LEU A 55 1.394 5.311 7.022 1.00 0.00 C ATOM 890 C LEU A 55 1.704 6.797 7.205 1.00 0.00 C ATOM 891 O LEU A 55 0.878 7.660 6.906 1.00 0.00 O ATOM 892 CB LEU A 55 2.142 4.773 5.801 1.00 0.00 C ATOM 893 CG LEU A 55 2.688 3.372 6.103 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.340 2.790 4.844 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.722 3.448 7.235 1.00 0.00 C ATOM 0 H LEU A 55 -0.321 4.602 6.022 1.00 0.00 H new ATOM 0 HA LEU A 55 1.725 4.771 7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.474 4.735 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.960 5.444 5.540 1.00 0.00 H new ATOM 0 HG LEU A 55 1.866 2.727 6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.727 1.795 5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.599 2.725 4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.158 3.436 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.106 2.450 7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.544 4.097 6.934 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.251 3.851 8.131 1.00 0.00 H new ATOM 907 N LYS A 56 2.891 7.079 7.729 1.00 0.00 N ATOM 908 CA LYS A 56 3.286 8.455 7.985 1.00 0.00 C ATOM 909 C LYS A 56 3.760 9.154 6.722 1.00 0.00 C ATOM 910 O LYS A 56 3.510 10.345 6.532 1.00 0.00 O ATOM 911 CB LYS A 56 4.396 8.510 9.036 1.00 0.00 C ATOM 912 CG LYS A 56 4.264 9.797 9.851 1.00 0.00 C ATOM 913 CD LYS A 56 5.450 9.919 10.811 1.00 0.00 C ATOM 914 CE LYS A 56 6.587 10.677 10.124 1.00 0.00 C ATOM 915 NZ LYS A 56 7.767 10.733 11.033 1.00 0.00 N ATOM 0 H LYS A 56 3.589 6.380 7.982 1.00 0.00 H new ATOM 0 HA LYS A 56 2.402 8.975 8.355 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.332 7.643 9.693 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.372 8.472 8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.231 10.660 9.185 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.329 9.791 10.411 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.145 10.442 11.717 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.790 8.929 11.114 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.856 10.182 9.191 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.263 11.686 9.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.541 11.248 10.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.505 11.223 11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.080 9.766 11.256 1.00 0.00 H new ATOM 929 N TRP A 57 4.453 8.423 5.861 1.00 0.00 N ATOM 930 CA TRP A 57 4.941 9.027 4.631 1.00 0.00 C ATOM 931 C TRP A 57 3.879 8.961 3.541 1.00 0.00 C ATOM 932 O TRP A 57 3.838 9.812 2.649 1.00 0.00 O ATOM 933 CB TRP A 57 6.245 8.373 4.158 1.00 0.00 C ATOM 934 CG TRP A 57 6.037 6.944 3.757 1.00 0.00 C ATOM 935 CD1 TRP A 57 6.064 5.876 4.591 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.790 6.418 2.427 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.876 4.726 3.843 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.697 5.011 2.505 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.645 7.024 1.171 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.471 4.232 1.373 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.410 6.245 0.027 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.325 4.849 0.128 1.00 0.00 C ATOM 0 H TRP A 57 4.685 7.438 5.985 1.00 0.00 H new ATOM 0 HA TRP A 57 5.157 10.074 4.842 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.647 8.933 3.313 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.987 8.423 4.955 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.208 5.915 5.661 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.871 3.784 4.233 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.715 8.098 1.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.409 3.157 1.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.294 6.723 -0.935 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.147 4.252 -0.754 1.00 0.00 H new ATOM 953 N ILE A 58 3.009 7.956 3.618 1.00 0.00 N ATOM 954 CA ILE A 58 1.958 7.827 2.629 1.00 0.00 C ATOM 955 C ILE A 58 0.814 8.795 2.944 1.00 0.00 C ATOM 956 O ILE A 58 0.052 9.155 2.050 1.00 0.00 O ATOM 957 CB ILE A 58 1.471 6.361 2.516 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.488 5.607 1.610 1.00 0.00 C ATOM 959 CG2 ILE A 58 0.030 6.282 1.943 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.823 4.517 0.748 1.00 0.00 C ATOM 0 H ILE A 58 3.014 7.237 4.341 1.00 0.00 H new ATOM 0 HA ILE A 58 2.360 8.097 1.653 1.00 0.00 H new ATOM 0 HB ILE A 58 1.426 5.899 3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.989 6.324 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.257 5.152 2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.279 5.239 1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.653 6.822 2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.008 6.730 0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.579 4.025 0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.345 3.782 1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.073 4.972 0.101 1.00 0.00 H new ATOM 972 N GLN A 59 0.690 9.226 4.203 1.00 0.00 N ATOM 973 CA GLN A 59 -0.377 10.158 4.535 1.00 0.00 C ATOM 974 C GLN A 59 -0.121 11.496 3.843 1.00 0.00 C ATOM 975 O GLN A 59 -1.056 12.208 3.478 1.00 0.00 O ATOM 976 CB GLN A 59 -0.509 10.367 6.048 1.00 0.00 C ATOM 977 CG GLN A 59 0.833 10.788 6.640 1.00 0.00 C ATOM 978 CD GLN A 59 0.598 11.727 7.819 1.00 0.00 C ATOM 979 OE1 GLN A 59 -0.158 11.406 8.736 1.00 0.00 O ATOM 980 NE2 GLN A 59 1.207 12.881 7.850 1.00 0.00 N ATOM 0 H GLN A 59 1.293 8.954 4.979 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.316 9.730 4.183 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.261 11.129 6.253 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.851 9.447 6.521 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.390 9.910 6.967 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.437 11.285 5.881 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.834 13.148 7.091 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.056 13.516 8.634 1.00 0.00 H new ATOM 989 N GLU A 60 1.159 11.816 3.639 1.00 0.00 N ATOM 990 CA GLU A 60 1.519 13.053 2.955 1.00 0.00 C ATOM 991 C GLU A 60 1.331 12.864 1.454 1.00 0.00 C ATOM 992 O GLU A 60 0.893 13.769 0.744 1.00 0.00 O ATOM 993 CB GLU A 60 2.978 13.424 3.239 1.00 0.00 C ATOM 994 CG GLU A 60 3.117 14.946 3.303 1.00 0.00 C ATOM 995 CD GLU A 60 2.864 15.422 4.729 1.00 0.00 C ATOM 996 OE1 GLU A 60 3.576 14.979 5.615 1.00 0.00 O ATOM 997 OE2 GLU A 60 1.960 16.221 4.914 1.00 0.00 O ATOM 0 H GLU A 60 1.950 11.244 3.934 1.00 0.00 H new ATOM 0 HA GLU A 60 0.878 13.856 3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.300 12.979 4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.625 13.022 2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.115 15.244 2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.408 15.415 2.621 1.00 0.00 H new ATOM 1004 N TYR A 61 1.656 11.660 0.990 1.00 0.00 N ATOM 1005 CA TYR A 61 1.515 11.318 -0.422 1.00 0.00 C ATOM 1006 C TYR A 61 0.029 11.330 -0.801 1.00 0.00 C ATOM 1007 O TYR A 61 -0.381 11.998 -1.748 1.00 0.00 O ATOM 1008 CB TYR A 61 2.157 9.925 -0.676 1.00 0.00 C ATOM 1009 CG TYR A 61 1.504 9.184 -1.828 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.326 9.813 -3.065 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.068 7.867 -1.643 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.710 9.125 -4.117 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.454 7.178 -2.693 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.273 7.806 -3.931 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.333 7.126 -4.968 1.00 0.00 O ATOM 0 H TYR A 61 2.019 10.905 1.572 1.00 0.00 H new ATOM 0 HA TYR A 61 2.029 12.050 -1.045 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.219 10.051 -0.885 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.080 9.323 0.229 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.664 10.829 -3.208 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.206 7.382 -0.688 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.571 9.610 -5.072 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.119 6.161 -2.549 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.574 6.224 -4.671 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.761 10.578 -0.044 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.195 10.495 -0.295 1.00 0.00 C ATOM 1027 C LEU A 62 -2.840 11.875 -0.170 1.00 0.00 C ATOM 1028 O LEU A 62 -3.865 12.155 -0.791 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.844 9.529 0.708 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.790 8.557 -0.014 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -4.888 9.340 -0.744 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -2.998 7.712 -1.023 1.00 0.00 C ATOM 0 H LEU A 62 -0.435 10.019 0.745 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.350 10.125 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.071 8.969 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.397 10.093 1.459 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.251 7.899 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.554 8.644 -1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.458 9.926 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.433 10.008 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.674 7.025 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.527 8.367 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.230 7.144 -0.498 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.225 12.735 0.639 1.00 0.00 N ATOM 1045 CA GLU A 63 -2.745 14.085 0.834 1.00 0.00 C ATOM 1046 C GLU A 63 -2.498 14.930 -0.411 1.00 0.00 C ATOM 1047 O GLU A 63 -3.320 15.768 -0.785 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.068 14.753 2.032 1.00 0.00 C ATOM 1049 CG GLU A 63 -2.775 16.073 2.348 1.00 0.00 C ATOM 1050 CD GLU A 63 -4.126 15.785 2.993 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -4.156 15.585 4.196 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -5.112 15.768 2.274 1.00 0.00 O ATOM 0 H GLU A 63 -1.376 12.524 1.164 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.816 14.011 1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.104 14.093 2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.016 14.935 1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.161 16.675 3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.912 16.652 1.435 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.354 14.700 -1.049 1.00 0.00 N ATOM 1060 CA LYS A 64 -0.999 15.441 -2.256 1.00 0.00 C ATOM 1061 C LYS A 64 -1.619 14.785 -3.487 1.00 0.00 C ATOM 1062 O LYS A 64 -2.073 15.463 -4.408 1.00 0.00 O ATOM 1063 CB LYS A 64 0.523 15.485 -2.426 1.00 0.00 C ATOM 1064 CG LYS A 64 0.885 16.415 -3.588 1.00 0.00 C ATOM 1065 CD LYS A 64 1.029 15.595 -4.872 1.00 0.00 C ATOM 1066 CE LYS A 64 2.097 16.227 -5.767 1.00 0.00 C ATOM 1067 NZ LYS A 64 2.833 15.155 -6.494 1.00 0.00 N ATOM 0 H LYS A 64 -0.661 14.012 -0.754 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.383 16.456 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.991 15.836 -1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.907 14.483 -2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.114 17.175 -3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.816 16.939 -3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.303 14.568 -4.631 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.076 15.555 -5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.633 16.911 -6.478 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.790 16.815 -5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.559 15.584 -7.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.288 14.519 -5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.167 14.612 -7.080 1.00 0.00 H new ATOM 1081 N ALA A 65 -1.631 13.455 -3.490 1.00 0.00 N ATOM 1082 CA ALA A 65 -2.195 12.710 -4.612 1.00 0.00 C ATOM 1083 C ALA A 65 -3.678 13.028 -4.776 1.00 0.00 C ATOM 1084 O ALA A 65 -4.206 13.042 -5.887 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.030 11.204 -4.393 1.00 0.00 C ATOM 0 H ALA A 65 -1.261 12.876 -2.737 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.659 13.007 -5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.456 10.664 -5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.971 10.963 -4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.546 10.911 -3.479 1.00 0.00 H new