USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 550 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 53 CYS SG : rot 125:sc= 1.28 USER MOD Set 1.2: A 56 SER OG : rot -150:sc= 0 USER MOD Set 1.3: A 61 CYS SG : rot 73:sc= 0.609 USER MOD Set 1.4: A 66 CYS SG : rot -153:sc= 0.675 USER MOD Set 1.5: A 67 LYS NZ :NH3+ -130:sc= -0.0466 (180deg=-0.626) USER MOD Set 1.6: A 70 HIS : no HE2:sc= 0.195 K(o=2.7,f=1.1) USER MOD Set 2.1: A 19 CYS SG : rot 135:sc= 1.07 USER MOD Set 2.2: A 27 CYS SG : rot 134:sc= 0.942 USER MOD Set 2.3: A 34 CYS SG : rot 134:sc= 1.07 USER MOD Set 2.4: A 38 HIS : no HD1:sc= -0.145 K(o=2.9,f=1.6) USER MOD Set 3.1: A 12 LYS NZ :NH3+ 180:sc= 0.0269 (180deg=0) USER MOD Set 3.2: A 15 THR OG1 : rot 100:sc=-0.00272 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 23 GLN : amide:sc= 0.699 K(o=0.7,f=0) USER MOD Single : A 26 THR OG1 : rot 126:sc= 0.268 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0278 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0.316 USER MOD Single : A 44 GLN : amide:sc= -0.399 K(o=-0.4,f=-3.3!) USER MOD Single : A 47 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.55) USER MOD Single : A 58 LYS NZ :NH3+ -139:sc= -0.0655 (180deg=-1.17) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0.0705 K(o=0.071,f=-1) USER MOD Single : A 76 LYS NZ :NH3+ -134:sc= 0.304 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 72:sc= 0.893 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 82 ASN : amide:sc= -0.0162 K(o=-0.016,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 142 N ASP A 10 25.206 9.023 10.314 1.00 0.00 N ATOM 143 CA ASP A 10 23.989 9.807 10.566 1.00 0.00 C ATOM 144 C ASP A 10 22.899 9.000 11.301 1.00 0.00 C ATOM 145 O ASP A 10 22.116 8.277 10.691 1.00 0.00 O ATOM 146 CB ASP A 10 23.472 10.318 9.202 1.00 0.00 C ATOM 147 CG ASP A 10 22.060 10.908 9.261 1.00 0.00 C ATOM 148 OD1 ASP A 10 21.302 10.707 8.283 1.00 0.00 O ATOM 149 OD2 ASP A 10 21.734 11.532 10.298 1.00 0.00 O ATOM 0 HA ASP A 10 24.233 10.638 11.227 1.00 0.00 H new ATOM 0 HB2 ASP A 10 24.158 11.077 8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 10 23.483 9.495 8.488 1.00 0.00 H new ATOM 154 N THR A 11 22.766 9.175 12.615 1.00 0.00 N ATOM 155 CA THR A 11 21.724 8.507 13.423 1.00 0.00 C ATOM 156 C THR A 11 20.284 8.771 12.957 1.00 0.00 C ATOM 157 O THR A 11 19.397 7.977 13.278 1.00 0.00 O ATOM 158 CB THR A 11 21.849 8.865 14.916 1.00 0.00 C ATOM 159 OG1 THR A 11 22.295 10.198 15.087 1.00 0.00 O ATOM 160 CG2 THR A 11 22.864 7.968 15.621 1.00 0.00 C ATOM 0 H THR A 11 23.376 9.785 13.159 1.00 0.00 H new ATOM 0 HA THR A 11 21.912 7.444 13.275 1.00 0.00 H new ATOM 0 HB THR A 11 20.855 8.731 15.344 1.00 0.00 H new ATOM 0 HG1 THR A 11 22.364 10.400 16.044 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.928 8.247 16.673 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.548 6.928 15.540 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.842 8.088 15.154 1.00 0.00 H new ATOM 168 N LYS A 12 20.023 9.822 12.161 1.00 0.00 N ATOM 169 CA LYS A 12 18.675 10.131 11.647 1.00 0.00 C ATOM 170 C LYS A 12 18.137 9.059 10.694 1.00 0.00 C ATOM 171 O LYS A 12 16.923 8.868 10.626 1.00 0.00 O ATOM 172 CB LYS A 12 18.647 11.540 11.023 1.00 0.00 C ATOM 173 CG LYS A 12 17.242 12.105 10.733 1.00 0.00 C ATOM 174 CD LYS A 12 16.226 12.011 11.885 1.00 0.00 C ATOM 175 CE LYS A 12 16.756 12.577 13.208 1.00 0.00 C ATOM 176 NZ LYS A 12 15.849 12.238 14.325 1.00 0.00 N ATOM 0 H LYS A 12 20.739 10.481 11.855 1.00 0.00 H new ATOM 0 HA LYS A 12 17.993 10.125 12.497 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.165 12.226 11.693 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.211 11.518 10.091 1.00 0.00 H new ATOM 0 HG2 LYS A 12 17.345 13.153 10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 12 16.832 11.580 9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.319 12.548 11.605 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.947 10.967 12.030 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.750 12.178 13.407 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.857 13.660 13.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.227 12.631 15.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.907 12.640 14.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.774 11.204 14.409 1.00 0.00 H new ATOM 190 N TRP A 13 19.012 8.308 10.010 1.00 0.00 N ATOM 191 CA TRP A 13 18.575 7.181 9.174 1.00 0.00 C ATOM 192 C TRP A 13 18.292 5.913 10.001 1.00 0.00 C ATOM 193 O TRP A 13 17.659 4.992 9.492 1.00 0.00 O ATOM 194 CB TRP A 13 19.517 6.934 7.988 1.00 0.00 C ATOM 195 CG TRP A 13 20.733 6.075 8.186 1.00 0.00 C ATOM 196 CD1 TRP A 13 21.985 6.541 8.384 1.00 0.00 C ATOM 197 CD2 TRP A 13 20.868 4.618 8.093 1.00 0.00 C ATOM 198 NE1 TRP A 13 22.876 5.491 8.457 1.00 0.00 N ATOM 199 CE2 TRP A 13 22.247 4.285 8.256 1.00 0.00 C ATOM 200 CE3 TRP A 13 19.983 3.543 7.847 1.00 0.00 C ATOM 201 CZ2 TRP A 13 22.726 2.972 8.162 1.00 0.00 C ATOM 202 CZ3 TRP A 13 20.451 2.218 7.756 1.00 0.00 C ATOM 203 CH2 TRP A 13 21.819 1.933 7.904 1.00 0.00 C ATOM 0 H TRP A 13 20.021 8.459 10.019 1.00 0.00 H new ATOM 0 HA TRP A 13 17.619 7.467 8.736 1.00 0.00 H new ATOM 0 HB2 TRP A 13 18.927 6.488 7.187 1.00 0.00 H new ATOM 0 HB3 TRP A 13 19.856 7.906 7.630 1.00 0.00 H new ATOM 0 HD1 TRP A 13 22.250 7.584 8.472 1.00 0.00 H new ATOM 0 HE1 TRP A 13 23.874 5.596 8.637 1.00 0.00 H new ATOM 0 HE3 TRP A 13 18.928 3.742 7.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 23.778 2.762 8.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 19.753 1.415 7.571 1.00 0.00 H new ATOM 0 HH2 TRP A 13 22.172 0.916 7.819 1.00 0.00 H new ATOM 214 N LEU A 14 18.706 5.881 11.279 1.00 0.00 N ATOM 215 CA LEU A 14 18.491 4.775 12.220 1.00 0.00 C ATOM 216 C LEU A 14 17.411 5.070 13.283 1.00 0.00 C ATOM 217 O LEU A 14 16.940 4.132 13.924 1.00 0.00 O ATOM 218 CB LEU A 14 19.824 4.378 12.885 1.00 0.00 C ATOM 219 CG LEU A 14 20.864 3.736 11.944 1.00 0.00 C ATOM 220 CD1 LEU A 14 22.133 3.408 12.734 1.00 0.00 C ATOM 221 CD2 LEU A 14 20.367 2.428 11.325 1.00 0.00 C ATOM 0 H LEU A 14 19.219 6.656 11.699 1.00 0.00 H new ATOM 0 HA LEU A 14 18.111 3.937 11.636 1.00 0.00 H new ATOM 0 HB2 LEU A 14 20.266 5.267 13.335 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.613 3.681 13.696 1.00 0.00 H new ATOM 0 HG LEU A 14 21.051 4.456 11.148 1.00 0.00 H new ATOM 0 HD11 LEU A 14 22.868 2.954 12.069 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.544 4.324 13.159 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.892 2.712 13.537 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.138 2.019 10.672 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.145 1.712 12.116 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.464 2.620 10.745 1.00 0.00 H new ATOM 233 N THR A 15 16.992 6.323 13.500 1.00 0.00 N ATOM 234 CA THR A 15 15.930 6.639 14.476 1.00 0.00 C ATOM 235 C THR A 15 14.510 6.384 13.948 1.00 0.00 C ATOM 236 O THR A 15 14.230 6.534 12.756 1.00 0.00 O ATOM 237 CB THR A 15 15.966 8.105 14.947 1.00 0.00 C ATOM 238 OG1 THR A 15 16.241 8.999 13.891 1.00 0.00 O ATOM 239 CG2 THR A 15 16.992 8.336 16.051 1.00 0.00 C ATOM 0 H THR A 15 17.369 7.137 13.015 1.00 0.00 H new ATOM 0 HA THR A 15 16.145 5.962 15.303 1.00 0.00 H new ATOM 0 HB THR A 15 14.968 8.302 15.338 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.405 9.404 13.580 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.978 9.385 16.347 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.748 7.712 16.911 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.985 8.076 15.685 1.00 0.00 H new ATOM 247 N LEU A 16 13.592 6.076 14.872 1.00 0.00 N ATOM 248 CA LEU A 16 12.147 5.904 14.658 1.00 0.00 C ATOM 249 C LEU A 16 11.393 6.682 15.747 1.00 0.00 C ATOM 250 O LEU A 16 11.806 6.697 16.907 1.00 0.00 O ATOM 251 CB LEU A 16 11.770 4.410 14.672 1.00 0.00 C ATOM 252 CG LEU A 16 12.175 3.631 13.405 1.00 0.00 C ATOM 253 CD1 LEU A 16 11.862 2.144 13.575 1.00 0.00 C ATOM 254 CD2 LEU A 16 11.426 4.112 12.157 1.00 0.00 C ATOM 0 H LEU A 16 13.852 5.931 15.848 1.00 0.00 H new ATOM 0 HA LEU A 16 11.867 6.296 13.680 1.00 0.00 H new ATOM 0 HB2 LEU A 16 12.238 3.939 15.536 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.692 4.323 14.806 1.00 0.00 H new ATOM 0 HG LEU A 16 13.243 3.802 13.272 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.153 1.606 12.673 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.416 1.751 14.427 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.793 2.014 13.746 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.748 3.531 11.293 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.354 3.981 12.303 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.643 5.166 11.986 1.00 0.00 H new ATOM 266 N GLU A 17 10.308 7.359 15.368 1.00 0.00 N ATOM 267 CA GLU A 17 9.504 8.192 16.274 1.00 0.00 C ATOM 268 C GLU A 17 8.605 7.378 17.221 1.00 0.00 C ATOM 269 O GLU A 17 8.065 6.329 16.862 1.00 0.00 O ATOM 270 CB GLU A 17 8.632 9.164 15.466 1.00 0.00 C ATOM 271 CG GLU A 17 9.448 10.220 14.712 1.00 0.00 C ATOM 272 CD GLU A 17 8.528 11.169 13.935 1.00 0.00 C ATOM 273 OE1 GLU A 17 8.183 12.241 14.488 1.00 0.00 O ATOM 274 OE2 GLU A 17 8.169 10.827 12.782 1.00 0.00 O ATOM 0 H GLU A 17 9.955 7.346 14.411 1.00 0.00 H new ATOM 0 HA GLU A 17 10.216 8.736 16.894 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.034 8.598 14.752 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.936 9.664 16.140 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.053 10.790 15.417 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.137 9.730 14.024 1.00 0.00 H new ATOM 281 N VAL A 18 8.417 7.911 18.430 1.00 0.00 N ATOM 282 CA VAL A 18 7.566 7.366 19.496 1.00 0.00 C ATOM 283 C VAL A 18 6.148 7.937 19.372 1.00 0.00 C ATOM 284 O VAL A 18 5.971 9.124 19.082 1.00 0.00 O ATOM 285 CB VAL A 18 8.168 7.706 20.875 1.00 0.00 C ATOM 286 CG1 VAL A 18 7.317 7.193 22.043 1.00 0.00 C ATOM 287 CG2 VAL A 18 9.563 7.083 21.019 1.00 0.00 C ATOM 0 H VAL A 18 8.876 8.778 18.709 1.00 0.00 H new ATOM 0 HA VAL A 18 7.515 6.282 19.398 1.00 0.00 H new ATOM 0 HB VAL A 18 8.209 8.794 20.919 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.793 7.463 22.986 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.325 7.642 21.995 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.228 6.109 21.979 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.974 7.332 21.997 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.490 6.000 20.922 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.218 7.474 20.240 1.00 0.00 H new ATOM 297 N CYS A 19 5.134 7.098 19.599 1.00 0.00 N ATOM 298 CA CYS A 19 3.722 7.473 19.519 1.00 0.00 C ATOM 299 C CYS A 19 3.359 8.612 20.496 1.00 0.00 C ATOM 300 O CYS A 19 3.757 8.617 21.670 1.00 0.00 O ATOM 301 CB CYS A 19 2.899 6.197 19.741 1.00 0.00 C ATOM 302 SG CYS A 19 1.113 6.439 19.494 1.00 0.00 S ATOM 0 H CYS A 19 5.276 6.119 19.849 1.00 0.00 H new ATOM 0 HA CYS A 19 3.493 7.886 18.537 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.251 5.423 19.059 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.072 5.833 20.754 1.00 0.00 H new ATOM 0 HG CYS A 19 0.637 5.461 18.783 1.00 0.00 H new ATOM 307 N ARG A 20 2.611 9.610 20.011 1.00 0.00 N ATOM 308 CA ARG A 20 2.167 10.767 20.809 1.00 0.00 C ATOM 309 C ARG A 20 1.147 10.359 21.870 1.00 0.00 C ATOM 310 O ARG A 20 1.255 10.782 23.018 1.00 0.00 O ATOM 311 CB ARG A 20 1.591 11.861 19.890 1.00 0.00 C ATOM 312 CG ARG A 20 2.621 12.481 18.926 1.00 0.00 C ATOM 313 CD ARG A 20 3.825 13.140 19.619 1.00 0.00 C ATOM 314 NE ARG A 20 3.407 14.232 20.522 1.00 0.00 N ATOM 315 CZ ARG A 20 3.658 14.352 21.817 1.00 0.00 C ATOM 316 NH1 ARG A 20 3.181 15.372 22.477 1.00 0.00 N ATOM 317 NH2 ARG A 20 4.372 13.495 22.497 1.00 0.00 N ATOM 0 H ARG A 20 2.292 9.641 19.043 1.00 0.00 H new ATOM 0 HA ARG A 20 3.037 11.168 21.329 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.773 11.437 19.307 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.166 12.652 20.508 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.985 11.704 18.254 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.120 13.227 18.309 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.374 12.389 20.187 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.508 13.532 18.866 1.00 0.00 H new ATOM 0 HE ARG A 20 2.861 14.982 20.098 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.617 16.073 21.995 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.372 15.468 23.474 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.770 12.680 22.031 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.531 13.641 23.494 1.00 0.00 H new ATOM 331 N GLU A 21 0.200 9.492 21.518 1.00 0.00 N ATOM 332 CA GLU A 21 -0.799 8.970 22.456 1.00 0.00 C ATOM 333 C GLU A 21 -0.158 8.037 23.503 1.00 0.00 C ATOM 334 O GLU A 21 -0.632 7.967 24.636 1.00 0.00 O ATOM 335 CB GLU A 21 -1.944 8.281 21.695 1.00 0.00 C ATOM 336 CG GLU A 21 -2.739 9.218 20.769 1.00 0.00 C ATOM 337 CD GLU A 21 -3.520 10.290 21.540 1.00 0.00 C ATOM 338 OE1 GLU A 21 -4.686 10.022 21.912 1.00 0.00 O ATOM 339 OE2 GLU A 21 -2.962 11.394 21.756 1.00 0.00 O ATOM 0 H GLU A 21 0.101 9.128 20.570 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.224 9.810 23.005 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.531 7.466 21.101 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.628 7.835 22.417 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.053 9.703 20.074 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.434 8.628 20.171 1.00 0.00 H new ATOM 346 N PHE A 22 0.952 7.360 23.182 1.00 0.00 N ATOM 347 CA PHE A 22 1.692 6.530 24.140 1.00 0.00 C ATOM 348 C PHE A 22 2.364 7.407 25.207 1.00 0.00 C ATOM 349 O PHE A 22 2.253 7.130 26.402 1.00 0.00 O ATOM 350 CB PHE A 22 2.723 5.688 23.385 1.00 0.00 C ATOM 351 CG PHE A 22 3.561 4.756 24.236 1.00 0.00 C ATOM 352 CD1 PHE A 22 2.991 3.580 24.763 1.00 0.00 C ATOM 353 CD2 PHE A 22 4.920 5.042 24.475 1.00 0.00 C ATOM 354 CE1 PHE A 22 3.773 2.700 25.531 1.00 0.00 C ATOM 355 CE2 PHE A 22 5.702 4.159 25.239 1.00 0.00 C ATOM 356 CZ PHE A 22 5.128 2.989 25.768 1.00 0.00 C ATOM 0 H PHE A 22 1.363 7.373 22.248 1.00 0.00 H new ATOM 0 HA PHE A 22 1.001 5.862 24.654 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.201 5.094 22.635 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.392 6.361 22.849 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.951 3.354 24.576 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.361 5.941 24.070 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.333 1.802 25.939 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.744 4.379 25.420 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.729 2.312 26.357 1.00 0.00 H new ATOM 366 N GLN A 23 3.000 8.509 24.787 1.00 0.00 N ATOM 367 CA GLN A 23 3.614 9.501 25.684 1.00 0.00 C ATOM 368 C GLN A 23 2.550 10.208 26.550 1.00 0.00 C ATOM 369 O GLN A 23 2.790 10.494 27.725 1.00 0.00 O ATOM 370 CB GLN A 23 4.424 10.506 24.846 1.00 0.00 C ATOM 371 CG GLN A 23 5.696 9.856 24.275 1.00 0.00 C ATOM 372 CD GLN A 23 6.340 10.695 23.177 1.00 0.00 C ATOM 373 OE1 GLN A 23 7.225 11.508 23.402 1.00 0.00 O ATOM 374 NE2 GLN A 23 5.912 10.533 21.942 1.00 0.00 N ATOM 0 H GLN A 23 3.105 8.741 23.799 1.00 0.00 H new ATOM 0 HA GLN A 23 4.289 8.993 26.373 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.808 10.883 24.030 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.696 11.363 25.463 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.415 9.704 25.080 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.450 8.871 23.878 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.174 9.858 21.742 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.318 11.083 21.185 1.00 0.00 H new ATOM 383 N ARG A 24 1.353 10.444 25.988 1.00 0.00 N ATOM 384 CA ARG A 24 0.174 11.022 26.663 1.00 0.00 C ATOM 385 C ARG A 24 -0.500 10.039 27.640 1.00 0.00 C ATOM 386 O ARG A 24 -1.229 10.464 28.538 1.00 0.00 O ATOM 387 CB ARG A 24 -0.809 11.462 25.562 1.00 0.00 C ATOM 388 CG ARG A 24 -2.000 12.310 26.029 1.00 0.00 C ATOM 389 CD ARG A 24 -2.862 12.646 24.808 1.00 0.00 C ATOM 390 NE ARG A 24 -4.053 13.434 25.163 1.00 0.00 N ATOM 391 CZ ARG A 24 -5.041 13.734 24.336 1.00 0.00 C ATOM 392 NH1 ARG A 24 -6.053 14.448 24.753 1.00 0.00 N ATOM 393 NH2 ARG A 24 -5.059 13.344 23.087 1.00 0.00 N ATOM 0 H ARG A 24 1.170 10.228 25.008 1.00 0.00 H new ATOM 0 HA ARG A 24 0.489 11.867 27.275 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.256 12.028 24.813 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.194 10.570 25.068 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.586 11.765 26.769 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.650 13.224 26.509 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.264 13.202 24.086 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.173 11.722 24.320 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.122 13.776 26.122 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.083 14.776 25.718 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.813 14.678 24.113 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.290 12.785 22.716 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.842 13.599 22.484 1.00 0.00 H new ATOM 407 N GLY A 25 -0.259 8.734 27.480 1.00 0.00 N ATOM 408 CA GLY A 25 -0.834 7.657 28.295 1.00 0.00 C ATOM 409 C GLY A 25 -2.269 7.278 27.896 1.00 0.00 C ATOM 410 O GLY A 25 -3.072 6.930 28.764 1.00 0.00 O ATOM 0 H GLY A 25 0.365 8.385 26.753 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.199 6.775 28.215 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.826 7.962 29.342 1.00 0.00 H new ATOM 414 N THR A 26 -2.608 7.373 26.604 1.00 0.00 N ATOM 415 CA THR A 26 -3.957 7.123 26.052 1.00 0.00 C ATOM 416 C THR A 26 -4.019 6.136 24.872 1.00 0.00 C ATOM 417 O THR A 26 -5.122 5.705 24.519 1.00 0.00 O ATOM 418 CB THR A 26 -4.617 8.443 25.615 1.00 0.00 C ATOM 419 OG1 THR A 26 -3.805 9.115 24.675 1.00 0.00 O ATOM 420 CG2 THR A 26 -4.856 9.407 26.779 1.00 0.00 C ATOM 0 H THR A 26 -1.933 7.634 25.886 1.00 0.00 H new ATOM 0 HA THR A 26 -4.496 6.654 26.875 1.00 0.00 H new ATOM 0 HB THR A 26 -5.578 8.161 25.185 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.329 9.309 23.870 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.323 10.319 26.406 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.511 8.937 27.512 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.904 9.653 27.249 1.00 0.00 H new ATOM 428 N CYS A 27 -2.888 5.750 24.264 1.00 0.00 N ATOM 429 CA CYS A 27 -2.846 4.797 23.140 1.00 0.00 C ATOM 430 C CYS A 27 -3.389 3.399 23.530 1.00 0.00 C ATOM 431 O CYS A 27 -3.257 2.967 24.684 1.00 0.00 O ATOM 432 CB CYS A 27 -1.405 4.730 22.602 1.00 0.00 C ATOM 433 SG CYS A 27 -1.327 4.025 20.921 1.00 0.00 S ATOM 0 H CYS A 27 -1.967 6.092 24.539 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.508 5.153 22.350 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.975 5.732 22.594 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.796 4.127 23.275 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.555 4.760 20.177 1.00 0.00 H new ATOM 438 N SER A 28 -3.994 2.687 22.573 1.00 0.00 N ATOM 439 CA SER A 28 -4.577 1.347 22.763 1.00 0.00 C ATOM 440 C SER A 28 -4.323 0.392 21.579 1.00 0.00 C ATOM 441 O SER A 28 -5.245 -0.170 20.977 1.00 0.00 O ATOM 442 CB SER A 28 -6.071 1.478 23.118 1.00 0.00 C ATOM 443 OG SER A 28 -6.792 2.246 22.160 1.00 0.00 O ATOM 0 H SER A 28 -4.096 3.033 21.619 1.00 0.00 H new ATOM 0 HA SER A 28 -4.063 0.876 23.601 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.513 0.484 23.190 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.169 1.942 24.099 1.00 0.00 H new ATOM 0 HG SER A 28 -7.734 2.300 22.426 1.00 0.00 H new ATOM 449 N ARG A 29 -3.038 0.145 21.289 1.00 0.00 N ATOM 450 CA ARG A 29 -2.524 -0.793 20.270 1.00 0.00 C ATOM 451 C ARG A 29 -1.125 -1.305 20.656 1.00 0.00 C ATOM 452 O ARG A 29 -0.364 -0.560 21.281 1.00 0.00 O ATOM 453 CB ARG A 29 -2.382 -0.105 18.894 1.00 0.00 C ATOM 454 CG ARG A 29 -3.693 0.055 18.114 1.00 0.00 C ATOM 455 CD ARG A 29 -3.391 0.466 16.667 1.00 0.00 C ATOM 456 NE ARG A 29 -4.626 0.610 15.879 1.00 0.00 N ATOM 457 CZ ARG A 29 -4.725 0.585 14.559 1.00 0.00 C ATOM 458 NH1 ARG A 29 -5.890 0.750 13.991 1.00 0.00 N ATOM 459 NH2 ARG A 29 -3.704 0.397 13.762 1.00 0.00 N ATOM 0 H ARG A 29 -2.283 0.619 21.785 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.240 -1.613 20.215 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.941 0.881 19.041 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.683 -0.680 18.287 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.251 -0.881 18.127 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.321 0.807 18.592 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.843 1.408 16.662 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.746 -0.280 16.202 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.492 0.742 16.402 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.721 0.898 14.564 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.969 0.731 12.974 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.771 0.260 14.152 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.841 0.388 12.751 1.00 0.00 H new ATOM 473 N PRO A 30 -0.745 -2.533 20.261 1.00 0.00 N ATOM 474 CA PRO A 30 0.611 -3.032 20.471 1.00 0.00 C ATOM 475 C PRO A 30 1.576 -2.330 19.498 1.00 0.00 C ATOM 476 O PRO A 30 1.169 -1.842 18.440 1.00 0.00 O ATOM 477 CB PRO A 30 0.527 -4.536 20.189 1.00 0.00 C ATOM 478 CG PRO A 30 -0.573 -4.630 19.131 1.00 0.00 C ATOM 479 CD PRO A 30 -1.540 -3.515 19.530 1.00 0.00 C ATOM 0 HA PRO A 30 0.985 -2.840 21.477 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.474 -4.931 19.822 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.273 -5.101 21.086 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.179 -4.480 18.126 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.058 -5.606 19.141 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.002 -3.066 18.651 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.348 -3.903 20.151 1.00 0.00 H new ATOM 487 N ASP A 31 2.873 -2.323 19.821 1.00 0.00 N ATOM 488 CA ASP A 31 3.938 -1.753 18.971 1.00 0.00 C ATOM 489 C ASP A 31 3.878 -2.272 17.516 1.00 0.00 C ATOM 490 O ASP A 31 4.180 -1.549 16.569 1.00 0.00 O ATOM 491 CB ASP A 31 5.290 -2.101 19.615 1.00 0.00 C ATOM 492 CG ASP A 31 6.479 -1.498 18.863 1.00 0.00 C ATOM 493 OD1 ASP A 31 6.784 -0.310 19.111 1.00 0.00 O ATOM 494 OD2 ASP A 31 7.098 -2.236 18.062 1.00 0.00 O ATOM 0 H ASP A 31 3.224 -2.718 20.693 1.00 0.00 H new ATOM 0 HA ASP A 31 3.802 -0.673 18.910 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.299 -1.744 20.645 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.401 -3.185 19.652 1.00 0.00 H new ATOM 499 N THR A 32 3.457 -3.530 17.354 1.00 0.00 N ATOM 500 CA THR A 32 3.287 -4.258 16.089 1.00 0.00 C ATOM 501 C THR A 32 2.211 -3.684 15.157 1.00 0.00 C ATOM 502 O THR A 32 2.294 -3.883 13.946 1.00 0.00 O ATOM 503 CB THR A 32 2.894 -5.716 16.400 1.00 0.00 C ATOM 504 OG1 THR A 32 3.622 -6.210 17.511 1.00 0.00 O ATOM 505 CG2 THR A 32 3.154 -6.682 15.243 1.00 0.00 C ATOM 0 H THR A 32 3.209 -4.108 18.157 1.00 0.00 H new ATOM 0 HA THR A 32 4.242 -4.171 15.571 1.00 0.00 H new ATOM 0 HB THR A 32 1.823 -5.677 16.599 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.355 -7.136 17.691 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.853 -7.688 15.535 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.578 -6.369 14.372 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.216 -6.678 14.997 1.00 0.00 H new ATOM 513 N GLU A 33 1.199 -2.984 15.685 1.00 0.00 N ATOM 514 CA GLU A 33 0.059 -2.467 14.901 1.00 0.00 C ATOM 515 C GLU A 33 -0.111 -0.940 14.935 1.00 0.00 C ATOM 516 O GLU A 33 -0.839 -0.399 14.097 1.00 0.00 O ATOM 517 CB GLU A 33 -1.242 -3.143 15.369 1.00 0.00 C ATOM 518 CG GLU A 33 -1.247 -4.662 15.149 1.00 0.00 C ATOM 519 CD GLU A 33 -2.607 -5.265 15.525 1.00 0.00 C ATOM 520 OE1 GLU A 33 -3.423 -5.502 14.603 1.00 0.00 O ATOM 521 OE2 GLU A 33 -2.835 -5.487 16.739 1.00 0.00 O ATOM 0 H GLU A 33 1.144 -2.756 16.678 1.00 0.00 H new ATOM 0 HA GLU A 33 0.282 -2.714 13.863 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.391 -2.935 16.429 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.085 -2.702 14.836 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.023 -4.883 14.106 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.462 -5.123 15.748 1.00 0.00 H new ATOM 528 N CYS A 34 0.545 -0.235 15.861 1.00 0.00 N ATOM 529 CA CYS A 34 0.482 1.230 15.917 1.00 0.00 C ATOM 530 C CYS A 34 1.354 1.878 14.812 1.00 0.00 C ATOM 531 O CYS A 34 2.295 1.265 14.289 1.00 0.00 O ATOM 532 CB CYS A 34 0.855 1.703 17.330 1.00 0.00 C ATOM 533 SG CYS A 34 0.207 3.384 17.636 1.00 0.00 S ATOM 0 H CYS A 34 1.128 -0.656 16.585 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.538 1.557 15.714 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.451 1.011 18.069 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.939 1.698 17.447 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.356 3.426 18.807 1.00 0.00 H new ATOM 538 N LYS A 35 1.049 3.130 14.449 1.00 0.00 N ATOM 539 CA LYS A 35 1.756 3.914 13.413 1.00 0.00 C ATOM 540 C LYS A 35 3.148 4.427 13.832 1.00 0.00 C ATOM 541 O LYS A 35 3.890 4.927 12.985 1.00 0.00 O ATOM 542 CB LYS A 35 0.859 5.069 12.926 1.00 0.00 C ATOM 543 CG LYS A 35 0.473 6.065 14.035 1.00 0.00 C ATOM 544 CD LYS A 35 -0.193 7.338 13.492 1.00 0.00 C ATOM 545 CE LYS A 35 -1.525 7.047 12.795 1.00 0.00 C ATOM 546 NZ LYS A 35 -2.163 8.293 12.319 1.00 0.00 N ATOM 0 H LYS A 35 0.281 3.647 14.878 1.00 0.00 H new ATOM 0 HA LYS A 35 1.952 3.224 12.593 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.375 5.607 12.131 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.050 4.653 12.492 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.205 5.577 14.735 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.366 6.340 14.596 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.360 8.036 14.312 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.482 7.827 12.790 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.359 6.376 11.952 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.195 6.533 13.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.063 8.065 11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.342 8.922 13.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.532 8.770 11.643 1.00 0.00 H new ATOM 560 N PHE A 36 3.501 4.298 15.110 1.00 0.00 N ATOM 561 CA PHE A 36 4.765 4.730 15.722 1.00 0.00 C ATOM 562 C PHE A 36 5.257 3.707 16.772 1.00 0.00 C ATOM 563 O PHE A 36 4.632 2.664 16.981 1.00 0.00 O ATOM 564 CB PHE A 36 4.578 6.131 16.330 1.00 0.00 C ATOM 565 CG PHE A 36 4.404 7.277 15.348 1.00 0.00 C ATOM 566 CD1 PHE A 36 3.277 8.119 15.432 1.00 0.00 C ATOM 567 CD2 PHE A 36 5.395 7.539 14.381 1.00 0.00 C ATOM 568 CE1 PHE A 36 3.130 9.197 14.540 1.00 0.00 C ATOM 569 CE2 PHE A 36 5.249 8.618 13.491 1.00 0.00 C ATOM 570 CZ PHE A 36 4.115 9.446 13.569 1.00 0.00 C ATOM 0 H PHE A 36 2.877 3.863 15.790 1.00 0.00 H new ATOM 0 HA PHE A 36 5.538 4.782 14.956 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.706 6.106 16.983 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.441 6.348 16.959 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.524 7.936 16.184 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.270 6.909 14.323 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.260 9.834 14.601 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.008 8.811 12.747 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.001 10.273 12.883 1.00 0.00 H new ATOM 580 N ALA A 37 6.400 3.975 17.412 1.00 0.00 N ATOM 581 CA ALA A 37 7.036 3.058 18.360 1.00 0.00 C ATOM 582 C ALA A 37 6.573 3.251 19.821 1.00 0.00 C ATOM 583 O ALA A 37 6.275 4.367 20.255 1.00 0.00 O ATOM 584 CB ALA A 37 8.551 3.286 18.252 1.00 0.00 C ATOM 0 H ALA A 37 6.915 4.846 17.284 1.00 0.00 H new ATOM 0 HA ALA A 37 6.750 2.038 18.102 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.069 2.621 18.943 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.879 3.077 17.234 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.782 4.321 18.502 1.00 0.00 H new ATOM 590 N HIS A 38 6.543 2.150 20.580 1.00 0.00 N ATOM 591 CA HIS A 38 6.177 2.059 22.004 1.00 0.00 C ATOM 592 C HIS A 38 7.350 1.492 22.850 1.00 0.00 C ATOM 593 O HIS A 38 7.296 0.335 23.283 1.00 0.00 O ATOM 594 CB HIS A 38 4.885 1.230 22.166 1.00 0.00 C ATOM 595 CG HIS A 38 3.651 1.769 21.479 1.00 0.00 C ATOM 596 ND1 HIS A 38 2.539 1.038 21.120 1.00 0.00 N ATOM 597 CD2 HIS A 38 3.385 3.073 21.152 1.00 0.00 C ATOM 598 CE1 HIS A 38 1.638 1.881 20.583 1.00 0.00 C ATOM 599 NE2 HIS A 38 2.110 3.138 20.574 1.00 0.00 N ATOM 0 H HIS A 38 6.789 1.238 20.194 1.00 0.00 H new ATOM 0 HA HIS A 38 5.978 3.062 22.382 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.074 0.225 21.789 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.670 1.136 23.231 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.047 3.911 21.313 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.668 1.587 20.210 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.638 3.969 20.219 1.00 0.00 H new ATOM 607 N PRO A 39 8.441 2.256 23.070 1.00 0.00 N ATOM 608 CA PRO A 39 9.616 1.811 23.830 1.00 0.00 C ATOM 609 C PRO A 39 9.363 1.671 25.340 1.00 0.00 C ATOM 610 O PRO A 39 8.390 2.197 25.886 1.00 0.00 O ATOM 611 CB PRO A 39 10.697 2.858 23.564 1.00 0.00 C ATOM 612 CG PRO A 39 9.883 4.131 23.342 1.00 0.00 C ATOM 613 CD PRO A 39 8.641 3.623 22.613 1.00 0.00 C ATOM 0 HA PRO A 39 9.903 0.811 23.506 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.381 2.957 24.407 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.300 2.605 22.692 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.628 4.616 24.284 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.430 4.861 22.746 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.773 4.242 22.842 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.781 3.657 21.533 1.00 0.00 H new ATOM 621 N SER A 40 10.285 0.985 26.022 1.00 0.00 N ATOM 622 CA SER A 40 10.273 0.783 27.481 1.00 0.00 C ATOM 623 C SER A 40 11.325 1.656 28.182 1.00 0.00 C ATOM 624 O SER A 40 12.122 2.344 27.539 1.00 0.00 O ATOM 625 CB SER A 40 10.482 -0.698 27.811 1.00 0.00 C ATOM 626 OG SER A 40 10.069 -0.965 29.143 1.00 0.00 O ATOM 0 H SER A 40 11.083 0.542 25.566 1.00 0.00 H new ATOM 0 HA SER A 40 9.297 1.091 27.856 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.915 -1.317 27.115 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.533 -0.961 27.688 1.00 0.00 H new ATOM 0 HG SER A 40 10.205 -1.915 29.344 1.00 0.00 H new ATOM 632 N LYS A 41 11.364 1.592 29.517 1.00 0.00 N ATOM 633 CA LYS A 41 12.312 2.331 30.379 1.00 0.00 C ATOM 634 C LYS A 41 13.783 1.994 30.099 1.00 0.00 C ATOM 635 O LYS A 41 14.665 2.824 30.322 1.00 0.00 O ATOM 636 CB LYS A 41 11.975 2.089 31.862 1.00 0.00 C ATOM 637 CG LYS A 41 10.599 2.659 32.254 1.00 0.00 C ATOM 638 CD LYS A 41 10.243 2.412 33.728 1.00 0.00 C ATOM 639 CE LYS A 41 11.171 3.165 34.690 1.00 0.00 C ATOM 640 NZ LYS A 41 10.769 2.951 36.096 1.00 0.00 N ATOM 0 H LYS A 41 10.720 1.008 30.051 1.00 0.00 H new ATOM 0 HA LYS A 41 12.193 3.388 30.140 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.993 1.018 32.065 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.744 2.545 32.485 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.587 3.731 32.058 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.833 2.211 31.621 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.213 2.720 33.906 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.297 1.344 33.938 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.198 2.829 34.547 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.150 4.230 34.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.414 3.472 36.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.797 3.294 36.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.813 1.936 36.319 1.00 0.00 H new ATOM 654 N SER A 42 14.037 0.784 29.603 1.00 0.00 N ATOM 655 CA SER A 42 15.370 0.269 29.253 1.00 0.00 C ATOM 656 C SER A 42 15.893 0.752 27.889 1.00 0.00 C ATOM 657 O SER A 42 17.091 0.639 27.627 1.00 0.00 O ATOM 658 CB SER A 42 15.351 -1.266 29.243 1.00 0.00 C ATOM 659 OG SER A 42 14.890 -1.770 30.489 1.00 0.00 O ATOM 0 H SER A 42 13.296 0.106 29.425 1.00 0.00 H new ATOM 0 HA SER A 42 16.043 0.660 30.016 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.706 -1.622 28.440 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.352 -1.646 29.039 1.00 0.00 H new ATOM 0 HG SER A 42 14.883 -2.750 30.463 1.00 0.00 H new ATOM 665 N CYS A 43 15.033 1.282 27.010 1.00 0.00 N ATOM 666 CA CYS A 43 15.428 1.764 25.684 1.00 0.00 C ATOM 667 C CYS A 43 16.085 3.158 25.745 1.00 0.00 C ATOM 668 O CYS A 43 15.733 3.983 26.592 1.00 0.00 O ATOM 669 CB CYS A 43 14.179 1.820 24.791 1.00 0.00 C ATOM 670 SG CYS A 43 13.381 0.191 24.654 1.00 0.00 S ATOM 0 H CYS A 43 14.037 1.388 27.202 1.00 0.00 H new ATOM 0 HA CYS A 43 16.167 1.076 25.275 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.470 2.540 25.200 1.00 0.00 H new ATOM 0 HB3 CYS A 43 14.456 2.175 23.798 1.00 0.00 H new ATOM 0 HG CYS A 43 12.331 0.285 23.894 1.00 0.00 H new ATOM 676 N GLN A 44 16.995 3.455 24.811 1.00 0.00 N ATOM 677 CA GLN A 44 17.646 4.771 24.681 1.00 0.00 C ATOM 678 C GLN A 44 16.729 5.785 23.962 1.00 0.00 C ATOM 679 O GLN A 44 17.025 6.270 22.868 1.00 0.00 O ATOM 680 CB GLN A 44 19.039 4.634 24.028 1.00 0.00 C ATOM 681 CG GLN A 44 20.096 3.990 24.945 1.00 0.00 C ATOM 682 CD GLN A 44 20.603 4.916 26.060 1.00 0.00 C ATOM 683 OE1 GLN A 44 19.855 5.527 26.811 1.00 0.00 O ATOM 684 NE2 GLN A 44 21.898 5.065 26.230 1.00 0.00 N ATOM 0 H GLN A 44 17.307 2.781 24.112 1.00 0.00 H new ATOM 0 HA GLN A 44 17.812 5.177 25.679 1.00 0.00 H new ATOM 0 HB2 GLN A 44 18.947 4.037 23.120 1.00 0.00 H new ATOM 0 HB3 GLN A 44 19.387 5.622 23.726 1.00 0.00 H new ATOM 0 HG2 GLN A 44 19.672 3.093 25.396 1.00 0.00 H new ATOM 0 HG3 GLN A 44 20.943 3.672 24.338 1.00 0.00 H new ATOM 0 HE21 GLN A 44 22.552 4.571 25.623 1.00 0.00 H new ATOM 0 HE22 GLN A 44 22.249 5.674 26.969 1.00 0.00 H new ATOM 693 N VAL A 45 15.581 6.081 24.580 1.00 0.00 N ATOM 694 CA VAL A 45 14.574 7.040 24.090 1.00 0.00 C ATOM 695 C VAL A 45 15.100 8.474 24.264 1.00 0.00 C ATOM 696 O VAL A 45 15.553 8.843 25.350 1.00 0.00 O ATOM 697 CB VAL A 45 13.232 6.874 24.838 1.00 0.00 C ATOM 698 CG1 VAL A 45 12.128 7.672 24.134 1.00 0.00 C ATOM 699 CG2 VAL A 45 12.777 5.407 24.915 1.00 0.00 C ATOM 0 H VAL A 45 15.314 5.648 25.464 1.00 0.00 H new ATOM 0 HA VAL A 45 14.396 6.841 23.033 1.00 0.00 H new ATOM 0 HB VAL A 45 13.399 7.243 25.850 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.188 7.546 24.672 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.397 8.728 24.117 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.013 7.310 23.112 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.829 5.348 25.450 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.650 5.012 23.907 1.00 0.00 H new ATOM 0 HG23 VAL A 45 13.529 4.820 25.442 1.00 0.00 H new ATOM 709 N GLU A 46 15.053 9.287 23.208 1.00 0.00 N ATOM 710 CA GLU A 46 15.554 10.671 23.176 1.00 0.00 C ATOM 711 C GLU A 46 14.669 11.575 22.298 1.00 0.00 C ATOM 712 O GLU A 46 14.396 11.242 21.147 1.00 0.00 O ATOM 713 CB GLU A 46 16.982 10.694 22.593 1.00 0.00 C ATOM 714 CG GLU A 46 18.012 9.932 23.432 1.00 0.00 C ATOM 715 CD GLU A 46 19.398 10.019 22.792 1.00 0.00 C ATOM 716 OE1 GLU A 46 19.729 9.138 21.965 1.00 0.00 O ATOM 717 OE2 GLU A 46 20.143 10.970 23.134 1.00 0.00 O ATOM 0 H GLU A 46 14.652 8.994 22.317 1.00 0.00 H new ATOM 0 HA GLU A 46 15.542 11.045 24.200 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.960 10.269 21.590 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.306 11.730 22.493 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.045 10.345 24.440 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.713 8.888 23.524 1.00 0.00 H new ATOM 724 N ASN A 47 14.247 12.733 22.822 1.00 0.00 N ATOM 725 CA ASN A 47 13.430 13.750 22.130 1.00 0.00 C ATOM 726 C ASN A 47 12.261 13.190 21.272 1.00 0.00 C ATOM 727 O ASN A 47 12.007 13.654 20.158 1.00 0.00 O ATOM 728 CB ASN A 47 14.392 14.678 21.357 1.00 0.00 C ATOM 729 CG ASN A 47 13.731 15.960 20.864 1.00 0.00 C ATOM 730 OD1 ASN A 47 12.878 16.548 21.517 1.00 0.00 O ATOM 731 ND2 ASN A 47 14.114 16.449 19.705 1.00 0.00 N ATOM 0 H ASN A 47 14.473 13.002 23.780 1.00 0.00 H new ATOM 0 HA ASN A 47 12.886 14.325 22.879 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.232 14.936 22.002 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.800 14.137 20.503 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.701 17.313 19.355 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.824 15.964 19.156 1.00 0.00 H new ATOM 738 N GLY A 48 11.558 12.166 21.771 1.00 0.00 N ATOM 739 CA GLY A 48 10.432 11.523 21.074 1.00 0.00 C ATOM 740 C GLY A 48 10.825 10.517 19.981 1.00 0.00 C ATOM 741 O GLY A 48 9.989 10.170 19.147 1.00 0.00 O ATOM 0 H GLY A 48 11.756 11.753 22.683 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.815 11.010 21.812 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.813 12.300 20.625 1.00 0.00 H new ATOM 745 N ARG A 49 12.080 10.050 19.958 1.00 0.00 N ATOM 746 CA ARG A 49 12.645 9.074 19.006 1.00 0.00 C ATOM 747 C ARG A 49 13.444 7.997 19.752 1.00 0.00 C ATOM 748 O ARG A 49 13.805 8.171 20.914 1.00 0.00 O ATOM 749 CB ARG A 49 13.582 9.775 17.992 1.00 0.00 C ATOM 750 CG ARG A 49 12.911 10.632 16.905 1.00 0.00 C ATOM 751 CD ARG A 49 12.547 12.048 17.364 1.00 0.00 C ATOM 752 NE ARG A 49 12.045 12.862 16.244 1.00 0.00 N ATOM 753 CZ ARG A 49 11.470 14.050 16.346 1.00 0.00 C ATOM 754 NH1 ARG A 49 11.057 14.672 15.277 1.00 0.00 N ATOM 755 NH2 ARG A 49 11.289 14.656 17.491 1.00 0.00 N ATOM 0 H ARG A 49 12.771 10.359 20.641 1.00 0.00 H new ATOM 0 HA ARG A 49 11.814 8.613 18.473 1.00 0.00 H new ATOM 0 HB2 ARG A 49 14.270 10.411 18.549 1.00 0.00 H new ATOM 0 HB3 ARG A 49 14.182 9.010 17.499 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.579 10.700 16.046 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.006 10.127 16.566 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.790 11.995 18.146 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.423 12.527 17.801 1.00 0.00 H new ATOM 0 HE ARG A 49 12.150 12.476 15.306 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.177 14.243 14.359 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.614 15.587 15.359 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.596 14.213 18.357 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.841 15.572 17.518 1.00 0.00 H new ATOM 769 N VAL A 50 13.769 6.903 19.067 1.00 0.00 N ATOM 770 CA VAL A 50 14.638 5.823 19.572 1.00 0.00 C ATOM 771 C VAL A 50 15.523 5.365 18.422 1.00 0.00 C ATOM 772 O VAL A 50 15.035 5.207 17.303 1.00 0.00 O ATOM 773 CB VAL A 50 13.872 4.575 20.061 1.00 0.00 C ATOM 774 CG1 VAL A 50 14.761 3.745 21.001 1.00 0.00 C ATOM 775 CG2 VAL A 50 12.563 4.858 20.780 1.00 0.00 C ATOM 0 H VAL A 50 13.431 6.731 18.120 1.00 0.00 H new ATOM 0 HA VAL A 50 15.185 6.233 20.421 1.00 0.00 H new ATOM 0 HB VAL A 50 13.619 4.035 19.149 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.211 2.867 21.340 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.658 3.428 20.468 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.045 4.350 21.862 1.00 0.00 H new ATOM 0 HG21 VAL A 50 12.103 3.917 21.083 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.757 5.468 21.663 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.889 5.393 20.111 1.00 0.00 H new ATOM 785 N ILE A 51 16.803 5.114 18.687 1.00 0.00 N ATOM 786 CA ILE A 51 17.721 4.563 17.684 1.00 0.00 C ATOM 787 C ILE A 51 17.393 3.066 17.544 1.00 0.00 C ATOM 788 O ILE A 51 17.334 2.351 18.549 1.00 0.00 O ATOM 789 CB ILE A 51 19.199 4.801 18.078 1.00 0.00 C ATOM 790 CG1 ILE A 51 19.451 6.273 18.494 1.00 0.00 C ATOM 791 CG2 ILE A 51 20.089 4.415 16.887 1.00 0.00 C ATOM 792 CD1 ILE A 51 20.908 6.619 18.823 1.00 0.00 C ATOM 0 H ILE A 51 17.234 5.284 19.596 1.00 0.00 H new ATOM 0 HA ILE A 51 17.590 5.065 16.725 1.00 0.00 H new ATOM 0 HB ILE A 51 19.441 4.183 18.943 1.00 0.00 H new ATOM 0 HG12 ILE A 51 19.113 6.924 17.688 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.836 6.498 19.365 1.00 0.00 H new ATOM 0 HG21 ILE A 51 21.135 4.577 17.147 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.934 3.364 16.642 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.830 5.030 16.025 1.00 0.00 H new ATOM 0 HD11 ILE A 51 20.978 7.670 19.102 1.00 0.00 H new ATOM 0 HD12 ILE A 51 21.251 6.000 19.652 1.00 0.00 H new ATOM 0 HD13 ILE A 51 21.532 6.433 17.949 1.00 0.00 H new ATOM 804 N ALA A 52 17.142 2.585 16.327 1.00 0.00 N ATOM 805 CA ALA A 52 16.820 1.182 16.062 1.00 0.00 C ATOM 806 C ALA A 52 18.081 0.290 16.033 1.00 0.00 C ATOM 807 O ALA A 52 19.176 0.746 15.693 1.00 0.00 O ATOM 808 CB ALA A 52 16.038 1.097 14.748 1.00 0.00 C ATOM 0 H ALA A 52 17.156 3.164 15.488 1.00 0.00 H new ATOM 0 HA ALA A 52 16.204 0.801 16.877 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.791 0.056 14.538 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.119 1.678 14.833 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.646 1.497 13.936 1.00 0.00 H new ATOM 814 N CYS A 53 17.914 -0.986 16.388 1.00 0.00 N ATOM 815 CA CYS A 53 18.973 -1.993 16.426 1.00 0.00 C ATOM 816 C CYS A 53 19.329 -2.458 14.998 1.00 0.00 C ATOM 817 O CYS A 53 18.509 -3.088 14.322 1.00 0.00 O ATOM 818 CB CYS A 53 18.463 -3.139 17.316 1.00 0.00 C ATOM 819 SG CYS A 53 19.685 -4.466 17.556 1.00 0.00 S ATOM 0 H CYS A 53 17.006 -1.358 16.666 1.00 0.00 H new ATOM 0 HA CYS A 53 19.897 -1.593 16.843 1.00 0.00 H new ATOM 0 HB2 CYS A 53 18.180 -2.736 18.288 1.00 0.00 H new ATOM 0 HB3 CYS A 53 17.562 -3.561 16.871 1.00 0.00 H new ATOM 0 HG CYS A 53 19.872 -4.659 18.828 1.00 0.00 H new ATOM 824 N PHE A 54 20.534 -2.138 14.512 1.00 0.00 N ATOM 825 CA PHE A 54 21.002 -2.524 13.171 1.00 0.00 C ATOM 826 C PHE A 54 20.967 -4.049 12.994 1.00 0.00 C ATOM 827 O PHE A 54 20.495 -4.552 11.972 1.00 0.00 O ATOM 828 CB PHE A 54 22.422 -1.989 12.939 1.00 0.00 C ATOM 829 CG PHE A 54 22.897 -1.917 11.500 1.00 0.00 C ATOM 830 CD1 PHE A 54 23.218 -0.664 10.949 1.00 0.00 C ATOM 831 CD2 PHE A 54 23.110 -3.084 10.740 1.00 0.00 C ATOM 832 CE1 PHE A 54 23.696 -0.571 9.631 1.00 0.00 C ATOM 833 CE2 PHE A 54 23.595 -2.991 9.423 1.00 0.00 C ATOM 834 CZ PHE A 54 23.879 -1.733 8.863 1.00 0.00 C ATOM 0 H PHE A 54 21.219 -1.599 15.041 1.00 0.00 H new ATOM 0 HA PHE A 54 20.332 -2.086 12.432 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.483 -0.989 13.368 1.00 0.00 H new ATOM 0 HB3 PHE A 54 23.117 -2.617 13.496 1.00 0.00 H new ATOM 0 HD1 PHE A 54 23.097 0.231 11.541 1.00 0.00 H new ATOM 0 HD2 PHE A 54 22.900 -4.052 11.170 1.00 0.00 H new ATOM 0 HE1 PHE A 54 23.923 0.396 9.207 1.00 0.00 H new ATOM 0 HE2 PHE A 54 23.750 -3.887 8.841 1.00 0.00 H new ATOM 0 HZ PHE A 54 24.236 -1.660 7.846 1.00 0.00 H new ATOM 844 N ASP A 55 21.433 -4.796 13.997 1.00 0.00 N ATOM 845 CA ASP A 55 21.412 -6.263 13.967 1.00 0.00 C ATOM 846 C ASP A 55 19.970 -6.820 13.900 1.00 0.00 C ATOM 847 O ASP A 55 19.703 -7.749 13.129 1.00 0.00 O ATOM 848 CB ASP A 55 22.216 -6.821 15.148 1.00 0.00 C ATOM 849 CG ASP A 55 23.704 -6.452 15.068 1.00 0.00 C ATOM 850 OD1 ASP A 55 24.247 -5.963 16.087 1.00 0.00 O ATOM 851 OD2 ASP A 55 24.308 -6.661 13.987 1.00 0.00 O ATOM 0 H ASP A 55 21.834 -4.405 14.850 1.00 0.00 H new ATOM 0 HA ASP A 55 21.895 -6.602 13.050 1.00 0.00 H new ATOM 0 HB2 ASP A 55 21.799 -6.440 16.080 1.00 0.00 H new ATOM 0 HB3 ASP A 55 22.114 -7.906 15.173 1.00 0.00 H new ATOM 856 N SER A 56 19.011 -6.228 14.624 1.00 0.00 N ATOM 857 CA SER A 56 17.594 -6.617 14.542 1.00 0.00 C ATOM 858 C SER A 56 16.976 -6.233 13.190 1.00 0.00 C ATOM 859 O SER A 56 16.230 -7.021 12.604 1.00 0.00 O ATOM 860 CB SER A 56 16.794 -5.990 15.679 1.00 0.00 C ATOM 861 OG SER A 56 15.485 -6.535 15.717 1.00 0.00 O ATOM 0 H SER A 56 19.193 -5.469 15.281 1.00 0.00 H new ATOM 0 HA SER A 56 17.552 -7.702 14.635 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.298 -6.169 16.629 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.742 -4.910 15.544 1.00 0.00 H new ATOM 0 HG SER A 56 14.862 -5.865 16.069 1.00 0.00 H new ATOM 867 N LEU A 57 17.330 -5.067 12.629 1.00 0.00 N ATOM 868 CA LEU A 57 16.908 -4.629 11.288 1.00 0.00 C ATOM 869 C LEU A 57 17.404 -5.611 10.207 1.00 0.00 C ATOM 870 O LEU A 57 16.699 -5.857 9.226 1.00 0.00 O ATOM 871 CB LEU A 57 17.422 -3.203 11.018 1.00 0.00 C ATOM 872 CG LEU A 57 16.702 -2.096 11.810 1.00 0.00 C ATOM 873 CD1 LEU A 57 17.534 -0.817 11.752 1.00 0.00 C ATOM 874 CD2 LEU A 57 15.318 -1.813 11.229 1.00 0.00 C ATOM 0 H LEU A 57 17.928 -4.389 13.102 1.00 0.00 H new ATOM 0 HA LEU A 57 15.819 -4.620 11.248 1.00 0.00 H new ATOM 0 HB2 LEU A 57 18.486 -3.165 11.253 1.00 0.00 H new ATOM 0 HB3 LEU A 57 17.323 -2.992 9.953 1.00 0.00 H new ATOM 0 HG LEU A 57 16.584 -2.432 12.840 1.00 0.00 H new ATOM 0 HD11 LEU A 57 17.029 -0.029 12.311 1.00 0.00 H new ATOM 0 HD12 LEU A 57 18.515 -1.001 12.190 1.00 0.00 H new ATOM 0 HD13 LEU A 57 17.652 -0.507 10.714 1.00 0.00 H new ATOM 0 HD21 LEU A 57 14.834 -1.027 11.809 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.417 -1.490 10.193 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.714 -2.719 11.270 1.00 0.00 H new ATOM 886 N LYS A 58 18.580 -6.225 10.416 1.00 0.00 N ATOM 887 CA LYS A 58 19.162 -7.281 9.563 1.00 0.00 C ATOM 888 C LYS A 58 18.471 -8.650 9.760 1.00 0.00 C ATOM 889 O LYS A 58 18.738 -9.597 9.021 1.00 0.00 O ATOM 890 CB LYS A 58 20.679 -7.360 9.847 1.00 0.00 C ATOM 891 CG LYS A 58 21.534 -7.981 8.726 1.00 0.00 C ATOM 892 CD LYS A 58 21.471 -7.297 7.346 1.00 0.00 C ATOM 893 CE LYS A 58 21.956 -5.839 7.331 1.00 0.00 C ATOM 894 NZ LYS A 58 20.928 -4.887 7.807 1.00 0.00 N ATOM 0 H LYS A 58 19.175 -5.993 11.211 1.00 0.00 H new ATOM 0 HA LYS A 58 18.997 -7.020 8.518 1.00 0.00 H new ATOM 0 HB2 LYS A 58 21.047 -6.353 10.044 1.00 0.00 H new ATOM 0 HB3 LYS A 58 20.830 -7.939 10.758 1.00 0.00 H new ATOM 0 HG2 LYS A 58 22.573 -7.988 9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 58 21.231 -9.021 8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 58 22.072 -7.873 6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 58 20.442 -7.327 6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 58 22.844 -5.750 7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 58 22.252 -5.570 6.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.939 -4.036 7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.990 -5.334 7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 21.131 -4.621 8.792 1.00 0.00 H new ATOM 908 N GLY A 59 17.566 -8.753 10.740 1.00 0.00 N ATOM 909 CA GLY A 59 16.769 -9.935 11.084 1.00 0.00 C ATOM 910 C GLY A 59 17.383 -10.891 12.110 1.00 0.00 C ATOM 911 O GLY A 59 16.822 -11.969 12.329 1.00 0.00 O ATOM 0 H GLY A 59 17.358 -7.964 11.352 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.804 -9.599 11.464 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.574 -10.494 10.169 1.00 0.00 H new ATOM 915 N ARG A 60 18.498 -10.519 12.758 1.00 0.00 N ATOM 916 CA ARG A 60 19.149 -11.329 13.799 1.00 0.00 C ATOM 917 C ARG A 60 19.990 -10.463 14.744 1.00 0.00 C ATOM 918 O ARG A 60 21.167 -10.210 14.483 1.00 0.00 O ATOM 919 CB ARG A 60 19.987 -12.457 13.162 1.00 0.00 C ATOM 920 CG ARG A 60 20.549 -13.448 14.201 1.00 0.00 C ATOM 921 CD ARG A 60 19.489 -14.264 14.958 1.00 0.00 C ATOM 922 NE ARG A 60 18.646 -15.066 14.051 1.00 0.00 N ATOM 923 CZ ARG A 60 17.636 -15.843 14.406 1.00 0.00 C ATOM 924 NH1 ARG A 60 16.956 -16.492 13.500 1.00 0.00 N ATOM 925 NH2 ARG A 60 17.270 -16.002 15.652 1.00 0.00 N ATOM 0 H ARG A 60 18.978 -9.638 12.572 1.00 0.00 H new ATOM 0 HA ARG A 60 18.369 -11.791 14.405 1.00 0.00 H new ATOM 0 HB2 ARG A 60 19.371 -13.000 12.446 1.00 0.00 H new ATOM 0 HB3 ARG A 60 20.813 -12.017 12.603 1.00 0.00 H new ATOM 0 HG2 ARG A 60 21.224 -14.138 13.695 1.00 0.00 H new ATOM 0 HG3 ARG A 60 21.145 -12.893 14.926 1.00 0.00 H new ATOM 0 HD2 ARG A 60 19.983 -14.925 15.670 1.00 0.00 H new ATOM 0 HD3 ARG A 60 18.857 -13.588 15.535 1.00 0.00 H new ATOM 0 HE ARG A 60 18.863 -15.017 13.055 1.00 0.00 H new ATOM 0 HH11 ARG A 60 17.203 -16.401 12.515 1.00 0.00 H new ATOM 0 HH12 ARG A 60 16.178 -17.090 13.778 1.00 0.00 H new ATOM 0 HH21 ARG A 60 17.770 -15.516 16.396 1.00 0.00 H new ATOM 0 HH22 ARG A 60 16.484 -16.612 15.879 1.00 0.00 H new ATOM 939 N CYS A 61 19.369 -10.036 15.845 1.00 0.00 N ATOM 940 CA CYS A 61 20.022 -9.265 16.915 1.00 0.00 C ATOM 941 C CYS A 61 21.266 -10.025 17.442 1.00 0.00 C ATOM 942 O CYS A 61 21.259 -11.261 17.535 1.00 0.00 O ATOM 943 CB CYS A 61 18.996 -8.959 18.021 1.00 0.00 C ATOM 944 SG CYS A 61 19.648 -7.755 19.234 1.00 0.00 S ATOM 0 H CYS A 61 18.382 -10.217 16.025 1.00 0.00 H new ATOM 0 HA CYS A 61 20.382 -8.312 16.528 1.00 0.00 H new ATOM 0 HB2 CYS A 61 18.084 -8.566 17.572 1.00 0.00 H new ATOM 0 HB3 CYS A 61 18.727 -9.883 18.534 1.00 0.00 H new ATOM 0 HG CYS A 61 19.686 -6.573 18.695 1.00 0.00 H new ATOM 949 N SER A 62 22.338 -9.298 17.770 1.00 0.00 N ATOM 950 CA SER A 62 23.638 -9.854 18.200 1.00 0.00 C ATOM 951 C SER A 62 23.989 -9.573 19.673 1.00 0.00 C ATOM 952 O SER A 62 25.164 -9.639 20.052 1.00 0.00 O ATOM 953 CB SER A 62 24.755 -9.326 17.282 1.00 0.00 C ATOM 954 OG SER A 62 24.477 -9.569 15.909 1.00 0.00 O ATOM 0 H SER A 62 22.332 -8.278 17.745 1.00 0.00 H new ATOM 0 HA SER A 62 23.549 -10.937 18.117 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.880 -8.255 17.442 1.00 0.00 H new ATOM 0 HB3 SER A 62 25.699 -9.801 17.550 1.00 0.00 H new ATOM 0 HG SER A 62 25.209 -9.218 15.360 1.00 0.00 H new ATOM 1013 N CYS A 66 20.639 -5.563 25.001 1.00 0.00 N ATOM 1014 CA CYS A 66 20.244 -4.609 23.963 1.00 0.00 C ATOM 1015 C CYS A 66 19.348 -3.487 24.537 1.00 0.00 C ATOM 1016 O CYS A 66 18.534 -3.705 25.444 1.00 0.00 O ATOM 1017 CB CYS A 66 19.559 -5.416 22.844 1.00 0.00 C ATOM 1018 SG CYS A 66 19.601 -4.544 21.247 1.00 0.00 S ATOM 0 HA CYS A 66 21.112 -4.091 23.556 1.00 0.00 H new ATOM 0 HB2 CYS A 66 20.051 -6.383 22.742 1.00 0.00 H new ATOM 0 HB3 CYS A 66 18.524 -5.613 23.122 1.00 0.00 H new ATOM 0 HG CYS A 66 18.594 -4.925 20.518 1.00 0.00 H new ATOM 1023 N LYS A 67 19.550 -2.268 24.021 1.00 0.00 N ATOM 1024 CA LYS A 67 18.909 -1.002 24.443 1.00 0.00 C ATOM 1025 C LYS A 67 18.389 -0.124 23.294 1.00 0.00 C ATOM 1026 O LYS A 67 17.921 0.992 23.522 1.00 0.00 O ATOM 1027 CB LYS A 67 19.846 -0.234 25.403 1.00 0.00 C ATOM 1028 CG LYS A 67 21.108 0.431 24.812 1.00 0.00 C ATOM 1029 CD LYS A 67 22.120 -0.527 24.162 1.00 0.00 C ATOM 1030 CE LYS A 67 21.904 -0.603 22.647 1.00 0.00 C ATOM 1031 NZ LYS A 67 22.352 -1.890 22.085 1.00 0.00 N ATOM 0 H LYS A 67 20.203 -2.123 23.251 1.00 0.00 H new ATOM 0 HA LYS A 67 18.000 -1.278 24.977 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.258 0.543 25.892 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.168 -0.927 26.180 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.796 1.162 24.066 1.00 0.00 H new ATOM 0 HG3 LYS A 67 21.613 0.981 25.606 1.00 0.00 H new ATOM 0 HD2 LYS A 67 23.135 -0.188 24.372 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.019 -1.521 24.598 1.00 0.00 H new ATOM 0 HE2 LYS A 67 20.847 -0.460 22.425 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.444 0.211 22.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.968 -1.715 21.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 22.879 -2.420 22.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 21.525 -2.444 21.784 1.00 0.00 H new ATOM 1045 N TYR A 68 18.445 -0.635 22.068 1.00 0.00 N ATOM 1046 CA TYR A 68 17.931 0.006 20.857 1.00 0.00 C ATOM 1047 C TYR A 68 16.525 -0.554 20.544 1.00 0.00 C ATOM 1048 O TYR A 68 16.099 -1.559 21.124 1.00 0.00 O ATOM 1049 CB TYR A 68 18.937 -0.236 19.712 1.00 0.00 C ATOM 1050 CG TYR A 68 20.311 0.423 19.821 1.00 0.00 C ATOM 1051 CD1 TYR A 68 20.467 1.693 20.421 1.00 0.00 C ATOM 1052 CD2 TYR A 68 21.444 -0.222 19.273 1.00 0.00 C ATOM 1053 CE1 TYR A 68 21.738 2.297 20.503 1.00 0.00 C ATOM 1054 CE2 TYR A 68 22.718 0.371 19.371 1.00 0.00 C ATOM 1055 CZ TYR A 68 22.871 1.630 19.984 1.00 0.00 C ATOM 1056 OH TYR A 68 24.107 2.193 20.077 1.00 0.00 O ATOM 0 H TYR A 68 18.867 -1.545 21.881 1.00 0.00 H new ATOM 0 HA TYR A 68 17.826 1.083 20.989 1.00 0.00 H new ATOM 0 HB2 TYR A 68 19.088 -1.312 19.620 1.00 0.00 H new ATOM 0 HB3 TYR A 68 18.476 0.102 18.784 1.00 0.00 H new ATOM 0 HD1 TYR A 68 19.604 2.206 20.820 1.00 0.00 H new ATOM 0 HD2 TYR A 68 21.332 -1.175 18.777 1.00 0.00 H new ATOM 0 HE1 TYR A 68 21.846 3.269 20.962 1.00 0.00 H new ATOM 0 HE2 TYR A 68 23.582 -0.142 18.974 1.00 0.00 H new ATOM 0 HH TYR A 68 24.770 1.597 19.670 1.00 0.00 H new ATOM 1066 N LEU A 69 15.771 0.080 19.640 1.00 0.00 N ATOM 1067 CA LEU A 69 14.405 -0.342 19.304 1.00 0.00 C ATOM 1068 C LEU A 69 14.396 -1.454 18.239 1.00 0.00 C ATOM 1069 O LEU A 69 15.086 -1.361 17.225 1.00 0.00 O ATOM 1070 CB LEU A 69 13.640 0.886 18.775 1.00 0.00 C ATOM 1071 CG LEU A 69 12.197 0.611 18.306 1.00 0.00 C ATOM 1072 CD1 LEU A 69 11.259 0.288 19.470 1.00 0.00 C ATOM 1073 CD2 LEU A 69 11.663 1.834 17.575 1.00 0.00 C ATOM 0 H LEU A 69 16.089 0.899 19.121 1.00 0.00 H new ATOM 0 HA LEU A 69 13.930 -0.744 20.199 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.612 1.642 19.560 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.200 1.312 17.943 1.00 0.00 H new ATOM 0 HG LEU A 69 12.229 -0.257 17.648 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.255 0.102 19.088 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.619 -0.599 19.992 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.234 1.130 20.161 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.643 1.642 17.242 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.670 2.692 18.247 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.293 2.045 16.711 1.00 0.00 H new ATOM 1085 N HIS A 70 13.576 -2.485 18.464 1.00 0.00 N ATOM 1086 CA HIS A 70 13.340 -3.579 17.514 1.00 0.00 C ATOM 1087 C HIS A 70 11.976 -3.317 16.833 1.00 0.00 C ATOM 1088 O HIS A 70 10.935 -3.513 17.473 1.00 0.00 O ATOM 1089 CB HIS A 70 13.317 -4.917 18.279 1.00 0.00 C ATOM 1090 CG HIS A 70 14.652 -5.426 18.777 1.00 0.00 C ATOM 1091 ND1 HIS A 70 14.913 -6.723 19.167 1.00 0.00 N ATOM 1092 CD2 HIS A 70 15.845 -4.749 18.832 1.00 0.00 C ATOM 1093 CE1 HIS A 70 16.230 -6.829 19.420 1.00 0.00 C ATOM 1094 NE2 HIS A 70 16.842 -5.650 19.226 1.00 0.00 N ATOM 0 H HIS A 70 13.046 -2.585 19.330 1.00 0.00 H new ATOM 0 HA HIS A 70 14.127 -3.629 16.762 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.650 -4.811 19.135 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.882 -5.676 17.629 1.00 0.00 H new ATOM 0 HD1 HIS A 70 14.226 -7.472 19.249 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.990 -3.702 18.610 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.725 -7.735 19.735 1.00 0.00 H new ATOM 1102 N PRO A 71 11.935 -2.858 15.566 1.00 0.00 N ATOM 1103 CA PRO A 71 10.685 -2.507 14.890 1.00 0.00 C ATOM 1104 C PRO A 71 9.978 -3.681 14.175 1.00 0.00 C ATOM 1105 O PRO A 71 10.646 -4.595 13.677 1.00 0.00 O ATOM 1106 CB PRO A 71 11.109 -1.460 13.859 1.00 0.00 C ATOM 1107 CG PRO A 71 12.513 -1.898 13.453 1.00 0.00 C ATOM 1108 CD PRO A 71 13.080 -2.526 14.725 1.00 0.00 C ATOM 0 HA PRO A 71 9.954 -2.165 15.623 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.432 -1.443 13.005 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.110 -0.457 14.285 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.487 -2.613 12.631 1.00 0.00 H new ATOM 0 HG3 PRO A 71 13.116 -1.053 13.121 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.662 -3.418 14.492 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.749 -1.833 15.235 1.00 0.00 H new ATOM 1116 N PRO A 72 8.635 -3.638 14.053 1.00 0.00 N ATOM 1117 CA PRO A 72 7.848 -4.611 13.290 1.00 0.00 C ATOM 1118 C PRO A 72 8.066 -4.417 11.773 1.00 0.00 C ATOM 1119 O PRO A 72 8.553 -3.359 11.364 1.00 0.00 O ATOM 1120 CB PRO A 72 6.393 -4.332 13.686 1.00 0.00 C ATOM 1121 CG PRO A 72 6.396 -2.827 13.940 1.00 0.00 C ATOM 1122 CD PRO A 72 7.754 -2.615 14.601 1.00 0.00 C ATOM 0 HA PRO A 72 8.135 -5.640 13.505 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.698 -4.607 12.893 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.101 -4.892 14.574 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.300 -2.258 13.015 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.575 -2.522 14.589 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.138 -1.617 14.391 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.678 -2.706 15.685 1.00 0.00 H new ATOM 1130 N PRO A 73 7.698 -5.390 10.914 1.00 0.00 N ATOM 1131 CA PRO A 73 7.885 -5.329 9.457 1.00 0.00 C ATOM 1132 C PRO A 73 7.548 -3.997 8.764 1.00 0.00 C ATOM 1133 O PRO A 73 8.311 -3.560 7.899 1.00 0.00 O ATOM 1134 CB PRO A 73 7.064 -6.492 8.893 1.00 0.00 C ATOM 1135 CG PRO A 73 7.132 -7.527 10.013 1.00 0.00 C ATOM 1136 CD PRO A 73 7.104 -6.671 11.280 1.00 0.00 C ATOM 0 HA PRO A 73 8.952 -5.407 9.249 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.037 -6.196 8.678 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.487 -6.873 7.964 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.290 -8.218 9.975 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.040 -8.127 9.952 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.083 -6.539 11.639 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.666 -7.146 12.084 1.00 0.00 H new ATOM 1144 N HIS A 74 6.450 -3.318 9.132 1.00 0.00 N ATOM 1145 CA HIS A 74 6.097 -2.026 8.517 1.00 0.00 C ATOM 1146 C HIS A 74 7.091 -0.915 8.894 1.00 0.00 C ATOM 1147 O HIS A 74 7.704 -0.329 8.002 1.00 0.00 O ATOM 1148 CB HIS A 74 4.622 -1.663 8.768 1.00 0.00 C ATOM 1149 CG HIS A 74 4.259 -1.239 10.171 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.947 -2.072 11.231 1.00 0.00 N ATOM 1151 CD2 HIS A 74 4.076 0.051 10.587 1.00 0.00 C ATOM 1152 CE1 HIS A 74 3.582 -1.300 12.272 1.00 0.00 C ATOM 1153 NE2 HIS A 74 3.656 -0.008 11.901 1.00 0.00 N ATOM 0 H HIS A 74 5.795 -3.638 9.846 1.00 0.00 H new ATOM 0 HA HIS A 74 6.191 -2.133 7.436 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.349 -0.857 8.087 1.00 0.00 H new ATOM 0 HB3 HIS A 74 4.009 -2.525 8.503 1.00 0.00 H new ATOM 0 HD2 HIS A 74 4.230 0.944 10.000 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.280 -1.658 13.245 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.438 0.794 12.492 1.00 0.00 H new ATOM 1162 N LEU A 75 7.341 -0.673 10.188 1.00 0.00 N ATOM 1163 CA LEU A 75 8.338 0.323 10.626 1.00 0.00 C ATOM 1164 C LEU A 75 9.753 -0.041 10.145 1.00 0.00 C ATOM 1165 O LEU A 75 10.520 0.846 9.777 1.00 0.00 O ATOM 1166 CB LEU A 75 8.301 0.528 12.152 1.00 0.00 C ATOM 1167 CG LEU A 75 6.998 1.109 12.733 1.00 0.00 C ATOM 1168 CD1 LEU A 75 7.171 1.401 14.225 1.00 0.00 C ATOM 1169 CD2 LEU A 75 6.561 2.412 12.058 1.00 0.00 C ATOM 0 H LEU A 75 6.867 -1.152 10.954 1.00 0.00 H new ATOM 0 HA LEU A 75 8.070 1.272 10.161 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.490 -0.433 12.631 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.123 1.189 12.428 1.00 0.00 H new ATOM 0 HG LEU A 75 6.233 0.354 12.555 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.244 1.811 14.625 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.416 0.478 14.750 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.977 2.122 14.364 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.637 2.766 12.515 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.339 3.165 12.182 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.395 2.234 10.996 1.00 0.00 H new ATOM 1181 N LYS A 76 10.084 -1.337 10.067 1.00 0.00 N ATOM 1182 CA LYS A 76 11.349 -1.845 9.506 1.00 0.00 C ATOM 1183 C LYS A 76 11.480 -1.442 8.030 1.00 0.00 C ATOM 1184 O LYS A 76 12.535 -0.968 7.616 1.00 0.00 O ATOM 1185 CB LYS A 76 11.403 -3.366 9.720 1.00 0.00 C ATOM 1186 CG LYS A 76 12.714 -4.003 9.233 1.00 0.00 C ATOM 1187 CD LYS A 76 12.867 -5.469 9.670 1.00 0.00 C ATOM 1188 CE LYS A 76 12.936 -5.626 11.197 1.00 0.00 C ATOM 1189 NZ LYS A 76 13.264 -7.014 11.581 1.00 0.00 N ATOM 0 H LYS A 76 9.468 -2.080 10.399 1.00 0.00 H new ATOM 0 HA LYS A 76 12.204 -1.402 10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.275 -3.581 10.781 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.566 -3.829 9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.757 -3.947 8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.556 -3.426 9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.027 -6.048 9.286 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.771 -5.885 9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.688 -4.948 11.601 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.980 -5.341 11.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.628 -7.323 12.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.147 -7.639 10.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.249 -7.059 11.912 1.00 0.00 H new ATOM 1203 N THR A 77 10.396 -1.543 7.256 1.00 0.00 N ATOM 1204 CA THR A 77 10.350 -1.085 5.855 1.00 0.00 C ATOM 1205 C THR A 77 10.534 0.436 5.774 1.00 0.00 C ATOM 1206 O THR A 77 11.313 0.910 4.947 1.00 0.00 O ATOM 1207 CB THR A 77 9.044 -1.507 5.158 1.00 0.00 C ATOM 1208 OG1 THR A 77 8.903 -2.913 5.185 1.00 0.00 O ATOM 1209 CG2 THR A 77 9.015 -1.095 3.685 1.00 0.00 C ATOM 0 H THR A 77 9.517 -1.947 7.581 1.00 0.00 H new ATOM 0 HA THR A 77 11.175 -1.566 5.329 1.00 0.00 H new ATOM 0 HB THR A 77 8.239 -1.009 5.699 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.699 -3.204 6.098 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.074 -1.414 3.236 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.104 -0.011 3.608 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.846 -1.565 3.159 1.00 0.00 H new ATOM 1217 N GLN A 78 9.889 1.217 6.655 1.00 0.00 N ATOM 1218 CA GLN A 78 10.091 2.675 6.709 1.00 0.00 C ATOM 1219 C GLN A 78 11.560 3.016 7.029 1.00 0.00 C ATOM 1220 O GLN A 78 12.118 3.938 6.434 1.00 0.00 O ATOM 1221 CB GLN A 78 9.146 3.344 7.728 1.00 0.00 C ATOM 1222 CG GLN A 78 7.757 3.709 7.172 1.00 0.00 C ATOM 1223 CD GLN A 78 6.791 2.531 7.057 1.00 0.00 C ATOM 1224 OE1 GLN A 78 6.089 2.177 7.996 1.00 0.00 O ATOM 1225 NE2 GLN A 78 6.681 1.909 5.901 1.00 0.00 N ATOM 0 H GLN A 78 9.222 0.863 7.341 1.00 0.00 H new ATOM 0 HA GLN A 78 9.850 3.072 5.723 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.018 2.674 8.578 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.622 4.250 8.104 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.310 4.467 7.815 1.00 0.00 H new ATOM 0 HG3 GLN A 78 7.881 4.159 6.187 1.00 0.00 H new ATOM 0 HE21 GLN A 78 7.260 2.194 5.111 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.017 1.142 5.796 1.00 0.00 H new ATOM 1234 N LEU A 79 12.207 2.259 7.925 1.00 0.00 N ATOM 1235 CA LEU A 79 13.620 2.425 8.275 1.00 0.00 C ATOM 1236 C LEU A 79 14.519 2.141 7.060 1.00 0.00 C ATOM 1237 O LEU A 79 15.401 2.937 6.747 1.00 0.00 O ATOM 1238 CB LEU A 79 13.948 1.517 9.480 1.00 0.00 C ATOM 1239 CG LEU A 79 15.202 1.874 10.298 1.00 0.00 C ATOM 1240 CD1 LEU A 79 16.524 1.690 9.555 1.00 0.00 C ATOM 1241 CD2 LEU A 79 15.133 3.300 10.835 1.00 0.00 C ATOM 0 H LEU A 79 11.753 1.501 8.435 1.00 0.00 H new ATOM 0 HA LEU A 79 13.815 3.458 8.565 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.091 1.523 10.153 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.060 0.496 9.115 1.00 0.00 H new ATOM 0 HG LEU A 79 15.195 1.156 11.118 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.351 1.966 10.210 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.631 0.648 9.255 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.535 2.325 8.669 1.00 0.00 H new ATOM 0 HD21 LEU A 79 16.035 3.517 11.407 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.055 3.999 10.002 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.260 3.404 11.480 1.00 0.00 H new ATOM 1253 N GLU A 80 14.272 1.052 6.324 1.00 0.00 N ATOM 1254 CA GLU A 80 15.022 0.739 5.097 1.00 0.00 C ATOM 1255 C GLU A 80 14.898 1.875 4.067 1.00 0.00 C ATOM 1256 O GLU A 80 15.906 2.305 3.506 1.00 0.00 O ATOM 1257 CB GLU A 80 14.552 -0.599 4.505 1.00 0.00 C ATOM 1258 CG GLU A 80 15.029 -1.795 5.341 1.00 0.00 C ATOM 1259 CD GLU A 80 14.426 -3.104 4.816 1.00 0.00 C ATOM 1260 OE1 GLU A 80 13.277 -3.422 5.205 1.00 0.00 O ATOM 1261 OE2 GLU A 80 15.112 -3.789 4.019 1.00 0.00 O ATOM 0 H GLU A 80 13.554 0.366 6.557 1.00 0.00 H new ATOM 0 HA GLU A 80 16.076 0.644 5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 80 13.464 -0.608 4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 80 14.926 -0.696 3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 80 16.117 -1.854 5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 80 14.745 -1.651 6.384 1.00 0.00 H new ATOM 1268 N ILE A 81 13.692 2.420 3.860 1.00 0.00 N ATOM 1269 CA ILE A 81 13.453 3.568 2.965 1.00 0.00 C ATOM 1270 C ILE A 81 14.233 4.805 3.450 1.00 0.00 C ATOM 1271 O ILE A 81 14.881 5.479 2.645 1.00 0.00 O ATOM 1272 CB ILE A 81 11.931 3.826 2.829 1.00 0.00 C ATOM 1273 CG1 ILE A 81 11.264 2.658 2.062 1.00 0.00 C ATOM 1274 CG2 ILE A 81 11.637 5.156 2.110 1.00 0.00 C ATOM 1275 CD1 ILE A 81 9.733 2.635 2.164 1.00 0.00 C ATOM 0 H ILE A 81 12.845 2.076 4.312 1.00 0.00 H new ATOM 0 HA ILE A 81 13.828 3.339 1.968 1.00 0.00 H new ATOM 0 HB ILE A 81 11.516 3.892 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 81 11.547 2.719 1.011 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.657 1.716 2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.559 5.299 2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.074 5.979 2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.070 5.132 1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.343 1.787 1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.439 2.541 3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.327 3.560 1.755 1.00 0.00 H new ATOM 1287 N ASN A 82 14.222 5.089 4.758 1.00 0.00 N ATOM 1288 CA ASN A 82 14.977 6.185 5.381 1.00 0.00 C ATOM 1289 C ASN A 82 16.499 6.010 5.156 1.00 0.00 C ATOM 1290 O ASN A 82 17.208 6.975 4.865 1.00 0.00 O ATOM 1291 CB ASN A 82 14.580 6.239 6.873 1.00 0.00 C ATOM 1292 CG ASN A 82 15.143 7.412 7.658 1.00 0.00 C ATOM 1293 OD1 ASN A 82 15.613 8.406 7.127 1.00 0.00 O ATOM 1294 ND2 ASN A 82 15.093 7.335 8.970 1.00 0.00 N ATOM 0 H ASN A 82 13.675 4.550 5.430 1.00 0.00 H new ATOM 0 HA ASN A 82 14.731 7.142 4.921 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.492 6.268 6.941 1.00 0.00 H new ATOM 0 HB3 ASN A 82 14.905 5.315 7.351 1.00 0.00 H new ATOM 0 HD21 ASN A 82 15.446 8.104 9.540 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.701 6.506 9.418 1.00 0.00 H new ATOM 1301 N GLY A 83 16.998 4.770 5.222 1.00 0.00 N ATOM 1302 CA GLY A 83 18.396 4.417 4.962 1.00 0.00 C ATOM 1303 C GLY A 83 18.799 4.607 3.499 1.00 0.00 C ATOM 1304 O GLY A 83 19.773 5.310 3.217 1.00 0.00 O ATOM 0 H GLY A 83 16.423 3.963 5.465 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.042 5.027 5.593 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.561 3.378 5.247 1.00 0.00 H new