USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 490 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 18 TYR OH : rot 165:sc= 0.0557 USER MOD Set 1.2: B 138 LYS NZ :NH3+ -176:sc= 0.0552 (180deg=0) USER MOD Set 2.1: A 41 GLN : amide:sc= 0.927 K(o=1.7,f=0) USER MOD Set 2.2: B 140 GLN : amide:sc= 0.815 K(o=1.7,f=-0.11) USER MOD Set 3.1: A 39 GLN : amide:sc= 0.779 K(o=1.7,f=-2.1) USER MOD Set 3.2: B 115 LYS NZ :NH3+ 142:sc= 0.914 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 148:sc= 0.187 (180deg=-0.0736) USER MOD Single : A 20 SER OG : rot 180:sc= 0.513 USER MOD Single : A 23 SER OG : rot -63:sc= 0.723 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 1.87 (180deg=1.85) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.559 K(o=0.56,f=-4!) USER MOD Single : A 31 MET CE :methyl -173:sc= -0.046 (180deg=-0.087) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.011) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 118 TYR OH : rot 60:sc= 0.265 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 123 SER OG : rot 180:sc= 0 USER MOD Single : B 126 SER OG : rot 180:sc= 0 USER MOD Single : B 127 LYS NZ :NH3+ -177:sc= 1.02 (180deg=1) USER MOD Single : B 128 ASN : amide:sc= 0.0401 K(o=0.04,f=-2.3!) USER MOD Single : B 129 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 131 MET CE :methyl -167:sc= -0.0219 (180deg=-0.116) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 139 GLN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N TRP A 14 -14.129 7.954 -2.049 1.00 0.00 N ATOM 165 CA TRP A 14 -13.068 7.450 -2.942 1.00 0.00 C ATOM 166 C TRP A 14 -12.292 6.267 -2.341 1.00 0.00 C ATOM 167 O TRP A 14 -11.753 5.435 -3.073 1.00 0.00 O ATOM 168 CB TRP A 14 -12.117 8.617 -3.279 1.00 0.00 C ATOM 169 CG TRP A 14 -11.325 9.199 -2.137 1.00 0.00 C ATOM 170 CD1 TRP A 14 -11.641 10.317 -1.440 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.091 8.692 -1.530 1.00 0.00 C ATOM 172 NE1 TRP A 14 -10.699 10.525 -0.449 1.00 0.00 N ATOM 173 CE2 TRP A 14 -9.730 9.552 -0.448 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.234 7.599 -1.786 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.603 9.320 0.357 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.099 7.353 -0.988 1.00 0.00 C ATOM 177 CH2 TRP A 14 -7.781 8.214 0.082 1.00 0.00 C ATOM 0 HA TRP A 14 -13.537 7.067 -3.849 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.415 8.275 -4.039 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -12.706 9.417 -3.726 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -12.497 10.948 -1.629 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -10.721 11.308 0.204 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.453 6.938 -2.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.371 9.983 1.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.470 6.501 -1.197 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -6.908 8.024 0.689 1.00 0.00 H new ATOM 188 N LYS A 15 -12.272 6.164 -1.006 1.00 0.00 N ATOM 189 CA LYS A 15 -11.530 5.170 -0.213 1.00 0.00 C ATOM 190 C LYS A 15 -11.973 3.726 -0.478 1.00 0.00 C ATOM 191 O LYS A 15 -11.136 2.831 -0.528 1.00 0.00 O ATOM 192 CB LYS A 15 -11.687 5.524 1.272 1.00 0.00 C ATOM 193 CG LYS A 15 -11.122 6.922 1.583 1.00 0.00 C ATOM 194 CD LYS A 15 -11.320 7.318 3.048 1.00 0.00 C ATOM 195 CE LYS A 15 -10.802 8.742 3.283 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.691 9.759 2.670 1.00 0.00 N1+ ATOM 0 H LYS A 15 -12.801 6.806 -0.416 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.483 5.212 -0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.741 5.488 1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.174 4.780 1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.059 6.943 1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.607 7.658 0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.377 7.259 3.309 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.792 6.619 3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.722 8.928 4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.799 8.837 2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.671 10.627 3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.363 9.971 1.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.663 9.392 2.631 1.00 0.00 H new ATOM 210 N ASP A 16 -13.271 3.504 -0.698 1.00 0.00 N ATOM 211 CA ASP A 16 -13.837 2.188 -1.024 1.00 0.00 C ATOM 212 C ASP A 16 -13.351 1.680 -2.394 1.00 0.00 C ATOM 213 O ASP A 16 -12.949 0.521 -2.542 1.00 0.00 O ATOM 214 CB ASP A 16 -15.367 2.289 -0.979 1.00 0.00 C ATOM 215 CG ASP A 16 -16.092 0.932 -1.099 1.00 0.00 C ATOM 216 OD1 ASP A 16 -15.535 -0.108 -0.676 1.00 0.00 O ATOM 217 OD2 ASP A 16 -17.258 0.918 -1.566 1.00 0.00 O1- ATOM 0 H ASP A 16 -13.972 4.244 -0.654 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.495 1.460 -0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.662 2.765 -0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.701 2.940 -1.787 1.00 0.00 H new ATOM 222 N ASP A 17 -13.319 2.563 -3.393 1.00 0.00 N ATOM 223 CA ASP A 17 -12.757 2.270 -4.721 1.00 0.00 C ATOM 224 C ASP A 17 -11.230 2.087 -4.677 1.00 0.00 C ATOM 225 O ASP A 17 -10.686 1.262 -5.418 1.00 0.00 O ATOM 226 CB ASP A 17 -13.139 3.386 -5.716 1.00 0.00 C ATOM 227 CG ASP A 17 -14.650 3.556 -5.956 1.00 0.00 C ATOM 228 OD1 ASP A 17 -15.056 4.656 -6.403 1.00 0.00 O ATOM 229 OD2 ASP A 17 -15.433 2.600 -5.753 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.685 3.511 -3.307 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.184 1.325 -5.058 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.736 4.331 -5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.656 3.181 -6.671 1.00 0.00 H new ATOM 234 N TYR A 18 -10.533 2.806 -3.783 1.00 0.00 N ATOM 235 CA TYR A 18 -9.091 2.652 -3.591 1.00 0.00 C ATOM 236 C TYR A 18 -8.746 1.291 -2.967 1.00 0.00 C ATOM 237 O TYR A 18 -7.869 0.593 -3.472 1.00 0.00 O ATOM 238 CB TYR A 18 -8.516 3.837 -2.795 1.00 0.00 C ATOM 239 CG TYR A 18 -7.079 4.154 -3.168 1.00 0.00 C ATOM 240 CD1 TYR A 18 -6.012 3.872 -2.288 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.814 4.717 -4.432 1.00 0.00 C ATOM 242 CE1 TYR A 18 -4.684 4.149 -2.672 1.00 0.00 C ATOM 243 CE2 TYR A 18 -5.491 4.987 -4.824 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.426 4.696 -3.950 1.00 0.00 C ATOM 245 OH TYR A 18 -3.158 4.966 -4.360 1.00 0.00 O ATOM 0 H TYR A 18 -10.957 3.508 -3.176 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.612 2.665 -4.570 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.134 4.718 -2.967 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.569 3.613 -1.730 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.213 3.443 -1.318 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -7.630 4.942 -5.102 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.869 3.945 -1.994 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.292 5.417 -5.794 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.150 5.101 -5.331 1.00 0.00 H new ATOM 255 N LEU A 19 -9.483 0.837 -1.945 1.00 0.00 N ATOM 256 CA LEU A 19 -9.371 -0.539 -1.429 1.00 0.00 C ATOM 257 C LEU A 19 -9.694 -1.575 -2.514 1.00 0.00 C ATOM 258 O LEU A 19 -8.964 -2.558 -2.661 1.00 0.00 O ATOM 259 CB LEU A 19 -10.293 -0.721 -0.201 1.00 0.00 C ATOM 260 CG LEU A 19 -9.555 -0.594 1.141 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.886 0.765 1.345 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.509 -0.843 2.309 1.00 0.00 C ATOM 0 H LEU A 19 -10.171 1.407 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.338 -0.704 -1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.090 0.022 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.768 -1.701 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.771 -1.351 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.385 0.782 2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.155 0.933 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.641 1.551 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.966 -0.748 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.317 -0.112 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.926 -1.847 2.231 1.00 0.00 H new ATOM 274 N SER A 20 -10.730 -1.336 -3.327 1.00 0.00 N ATOM 275 CA SER A 20 -11.100 -2.237 -4.431 1.00 0.00 C ATOM 276 C SER A 20 -9.952 -2.416 -5.431 1.00 0.00 C ATOM 277 O SER A 20 -9.639 -3.553 -5.783 1.00 0.00 O ATOM 278 CB SER A 20 -12.372 -1.763 -5.141 1.00 0.00 C ATOM 279 OG SER A 20 -12.739 -2.679 -6.171 1.00 0.00 O ATOM 0 H SER A 20 -11.334 -0.518 -3.241 1.00 0.00 H new ATOM 0 HA SER A 20 -11.306 -3.211 -3.988 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.185 -1.671 -4.421 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.210 -0.773 -5.567 1.00 0.00 H new ATOM 0 HG SER A 20 -13.554 -2.363 -6.614 1.00 0.00 H new ATOM 285 N ARG A 21 -9.267 -1.342 -5.855 1.00 0.00 N ATOM 286 CA ARG A 21 -8.135 -1.446 -6.796 1.00 0.00 C ATOM 287 C ARG A 21 -6.845 -1.988 -6.160 1.00 0.00 C ATOM 288 O ARG A 21 -6.128 -2.741 -6.814 1.00 0.00 O ATOM 289 CB ARG A 21 -7.929 -0.121 -7.554 1.00 0.00 C ATOM 290 CG ARG A 21 -7.107 0.944 -6.816 1.00 0.00 C ATOM 291 CD ARG A 21 -7.011 2.256 -7.604 1.00 0.00 C ATOM 292 NE ARG A 21 -6.217 2.113 -8.845 1.00 0.00 N ATOM 293 CZ ARG A 21 -6.051 3.028 -9.782 1.00 0.00 C ATOM 294 NH1 ARG A 21 -6.600 4.207 -9.706 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -5.329 2.773 -10.835 1.00 0.00 N ATOM 0 H ARG A 21 -9.477 -0.388 -5.561 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.405 -2.205 -7.530 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.440 -0.339 -8.503 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.907 0.299 -7.788 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.559 1.139 -5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.104 0.561 -6.630 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.014 2.600 -7.856 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.560 3.023 -6.974 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.751 1.217 -8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.181 4.448 -8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.449 4.889 -10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.886 1.860 -10.941 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.206 3.486 -11.554 1.00 0.00 H new ATOM 309 N LEU A 22 -6.562 -1.663 -4.894 1.00 0.00 N ATOM 310 CA LEU A 22 -5.380 -2.156 -4.156 1.00 0.00 C ATOM 311 C LEU A 22 -5.419 -3.683 -3.950 1.00 0.00 C ATOM 312 O LEU A 22 -4.382 -4.343 -4.046 1.00 0.00 O ATOM 313 CB LEU A 22 -5.268 -1.428 -2.804 1.00 0.00 C ATOM 314 CG LEU A 22 -4.389 -0.161 -2.775 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.527 0.798 -3.959 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.701 0.615 -1.493 1.00 0.00 C ATOM 0 H LEU A 22 -7.152 -1.042 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.497 -1.940 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.272 -1.154 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.877 -2.132 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.365 -0.531 -2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.858 1.647 -3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.266 0.278 -4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.556 1.153 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.088 1.516 -1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.755 0.893 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.482 -0.010 -0.627 1.00 0.00 H new ATOM 328 N SER A 23 -6.597 -4.268 -3.722 1.00 0.00 N ATOM 329 CA SER A 23 -6.780 -5.724 -3.567 1.00 0.00 C ATOM 330 C SER A 23 -6.382 -6.561 -4.797 1.00 0.00 C ATOM 331 O SER A 23 -6.150 -7.765 -4.656 1.00 0.00 O ATOM 332 CB SER A 23 -8.238 -6.022 -3.190 1.00 0.00 C ATOM 333 OG SER A 23 -9.117 -5.943 -4.301 1.00 0.00 O ATOM 0 H SER A 23 -7.467 -3.742 -3.638 1.00 0.00 H new ATOM 0 HA SER A 23 -6.096 -6.024 -2.773 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.300 -7.019 -2.753 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.562 -5.317 -2.424 1.00 0.00 H new ATOM 0 HG SER A 23 -9.121 -5.028 -4.651 1.00 0.00 H new ATOM 339 N ARG A 24 -6.285 -5.959 -5.995 1.00 0.00 N ATOM 340 CA ARG A 24 -6.017 -6.665 -7.268 1.00 0.00 C ATOM 341 C ARG A 24 -4.544 -7.043 -7.481 1.00 0.00 C ATOM 342 O ARG A 24 -4.250 -7.954 -8.262 1.00 0.00 O ATOM 343 CB ARG A 24 -6.495 -5.809 -8.465 1.00 0.00 C ATOM 344 CG ARG A 24 -7.898 -5.193 -8.333 1.00 0.00 C ATOM 345 CD ARG A 24 -8.971 -6.204 -7.936 1.00 0.00 C ATOM 346 NE ARG A 24 -10.264 -5.525 -7.733 1.00 0.00 N ATOM 347 CZ ARG A 24 -11.422 -5.725 -8.329 1.00 0.00 C ATOM 348 NH1 ARG A 24 -11.584 -6.626 -9.258 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -12.454 -5.004 -7.994 1.00 0.00 N ATOM 0 H ARG A 24 -6.392 -4.951 -6.112 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.576 -7.599 -7.206 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.778 -5.002 -8.619 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.474 -6.429 -9.361 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.868 -4.396 -7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.176 -4.734 -9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.069 -6.964 -8.712 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.675 -6.718 -7.022 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.262 -4.791 -7.025 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.797 -7.207 -9.548 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.497 -6.750 -9.695 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.364 -4.288 -7.273 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.352 -5.155 -8.453 1.00 0.00 H new ATOM 363 N LEU A 25 -3.635 -6.335 -6.810 1.00 0.00 N ATOM 364 CA LEU A 25 -2.182 -6.434 -7.012 1.00 0.00 C ATOM 365 C LEU A 25 -1.556 -7.687 -6.380 1.00 0.00 C ATOM 366 O LEU A 25 -1.956 -8.135 -5.300 1.00 0.00 O ATOM 367 CB LEU A 25 -1.475 -5.172 -6.469 1.00 0.00 C ATOM 368 CG LEU A 25 -1.626 -3.839 -7.240 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.740 -3.992 -8.756 1.00 0.00 C ATOM 370 CD2 LEU A 25 -2.811 -3.026 -6.736 1.00 0.00 C ATOM 0 H LEU A 25 -3.892 -5.658 -6.091 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.035 -6.516 -8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.831 -5.007 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.410 -5.394 -6.401 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.694 -3.311 -7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.842 -3.008 -9.214 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.845 -4.480 -9.141 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.614 -4.597 -8.996 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.883 -2.098 -7.303 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.728 -3.601 -6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.672 -2.796 -5.680 1.00 0.00 H new ATOM 382 N SER A 26 -0.500 -8.195 -7.020 1.00 0.00 N ATOM 383 CA SER A 26 0.487 -9.106 -6.421 1.00 0.00 C ATOM 384 C SER A 26 1.425 -8.362 -5.454 1.00 0.00 C ATOM 385 O SER A 26 1.522 -7.127 -5.499 1.00 0.00 O ATOM 386 CB SER A 26 1.275 -9.798 -7.546 1.00 0.00 C ATOM 387 OG SER A 26 2.204 -10.738 -7.025 1.00 0.00 O ATOM 0 H SER A 26 -0.300 -7.980 -7.997 1.00 0.00 H new ATOM 0 HA SER A 26 -0.034 -9.860 -5.831 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.583 -10.303 -8.220 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.804 -9.049 -8.135 1.00 0.00 H new ATOM 0 HG SER A 26 2.689 -11.163 -7.763 1.00 0.00 H new ATOM 393 N LYS A 27 2.136 -9.078 -4.575 1.00 0.00 N ATOM 394 CA LYS A 27 2.970 -8.465 -3.523 1.00 0.00 C ATOM 395 C LYS A 27 4.113 -7.586 -4.046 1.00 0.00 C ATOM 396 O LYS A 27 4.392 -6.556 -3.439 1.00 0.00 O ATOM 397 CB LYS A 27 3.426 -9.508 -2.479 1.00 0.00 C ATOM 398 CG LYS A 27 2.573 -9.349 -1.209 1.00 0.00 C ATOM 399 CD LYS A 27 2.947 -10.292 -0.063 1.00 0.00 C ATOM 400 CE LYS A 27 2.065 -9.941 1.143 1.00 0.00 C ATOM 401 NZ LYS A 27 2.305 -10.837 2.300 1.00 0.00 N1+ ATOM 0 H LYS A 27 2.152 -10.098 -4.569 1.00 0.00 H new ATOM 0 HA LYS A 27 2.321 -7.758 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.319 -10.515 -2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.481 -9.369 -2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.658 -8.321 -0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.527 -9.512 -1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.795 -11.330 -0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.001 -10.184 0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.255 -8.910 1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.016 -10.001 0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.639 -10.603 3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.164 -11.825 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.280 -10.712 2.640 1.00 0.00 H new ATOM 415 N ASN A 28 4.702 -7.895 -5.198 1.00 0.00 N ATOM 416 CA ASN A 28 5.701 -7.027 -5.846 1.00 0.00 C ATOM 417 C ASN A 28 5.099 -5.706 -6.390 1.00 0.00 C ATOM 418 O ASN A 28 5.766 -4.671 -6.426 1.00 0.00 O ATOM 419 CB ASN A 28 6.369 -7.825 -6.980 1.00 0.00 C ATOM 420 CG ASN A 28 7.537 -7.072 -7.604 1.00 0.00 C ATOM 421 OD1 ASN A 28 8.484 -6.681 -6.936 1.00 0.00 O ATOM 422 ND2 ASN A 28 7.521 -6.858 -8.904 1.00 0.00 N ATOM 0 H ASN A 28 4.505 -8.752 -5.714 1.00 0.00 H new ATOM 0 HA ASN A 28 6.434 -6.731 -5.095 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.721 -8.780 -6.591 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.630 -8.047 -7.750 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.297 -6.368 -9.350 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.733 -7.183 -9.465 1.00 0.00 H new ATOM 429 N GLN A 29 3.835 -5.738 -6.820 1.00 0.00 N ATOM 430 CA GLN A 29 3.133 -4.593 -7.421 1.00 0.00 C ATOM 431 C GLN A 29 2.591 -3.620 -6.357 1.00 0.00 C ATOM 432 O GLN A 29 2.771 -2.407 -6.485 1.00 0.00 O ATOM 433 CB GLN A 29 1.990 -5.106 -8.309 1.00 0.00 C ATOM 434 CG GLN A 29 2.460 -5.923 -9.525 1.00 0.00 C ATOM 435 CD GLN A 29 1.329 -6.696 -10.205 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.316 -7.056 -9.614 1.00 0.00 O ATOM 437 NE2 GLN A 29 1.461 -7.016 -11.477 1.00 0.00 N ATOM 0 H GLN A 29 3.256 -6.576 -6.760 1.00 0.00 H new ATOM 0 HA GLN A 29 3.850 -4.036 -8.024 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.324 -5.723 -7.706 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.406 -4.255 -8.660 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.920 -5.251 -10.250 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.231 -6.625 -9.207 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.294 -6.729 -11.991 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.730 -7.551 -11.947 1.00 0.00 H new ATOM 446 N LEU A 30 1.986 -4.139 -5.277 1.00 0.00 N ATOM 447 CA LEU A 30 1.531 -3.315 -4.139 1.00 0.00 C ATOM 448 C LEU A 30 2.703 -2.684 -3.370 1.00 0.00 C ATOM 449 O LEU A 30 2.550 -1.588 -2.831 1.00 0.00 O ATOM 450 CB LEU A 30 0.590 -4.113 -3.213 1.00 0.00 C ATOM 451 CG LEU A 30 1.221 -5.305 -2.472 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.820 -4.962 -1.103 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.164 -6.402 -2.288 1.00 0.00 C ATOM 0 H LEU A 30 1.798 -5.135 -5.165 1.00 0.00 H new ATOM 0 HA LEU A 30 0.956 -2.485 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.176 -3.429 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.245 -4.482 -3.808 1.00 0.00 H new ATOM 0 HG LEU A 30 2.051 -5.637 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.242 -5.862 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.605 -4.216 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.040 -4.564 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.606 -7.249 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.670 -6.010 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.196 -6.728 -3.264 1.00 0.00 H new ATOM 465 N MET A 31 3.884 -3.319 -3.379 1.00 0.00 N ATOM 466 CA MET A 31 5.116 -2.714 -2.858 1.00 0.00 C ATOM 467 C MET A 31 5.484 -1.444 -3.627 1.00 0.00 C ATOM 468 O MET A 31 5.699 -0.400 -3.015 1.00 0.00 O ATOM 469 CB MET A 31 6.280 -3.708 -2.946 1.00 0.00 C ATOM 470 CG MET A 31 6.315 -4.698 -1.786 1.00 0.00 C ATOM 471 SD MET A 31 7.519 -6.034 -2.040 1.00 0.00 S ATOM 472 CE MET A 31 6.774 -7.282 -0.965 1.00 0.00 C ATOM 0 H MET A 31 4.011 -4.262 -3.746 1.00 0.00 H new ATOM 0 HA MET A 31 4.933 -2.452 -1.816 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.208 -4.259 -3.883 1.00 0.00 H new ATOM 0 HB3 MET A 31 7.219 -3.156 -2.972 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.558 -4.165 -0.867 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.323 -5.129 -1.652 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.440 -8.142 -0.889 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.613 -6.859 0.027 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.819 -7.599 -1.383 1.00 0.00 H new ATOM 482 N ALA A 32 5.519 -1.513 -4.963 1.00 0.00 N ATOM 483 CA ALA A 32 5.853 -0.366 -5.805 1.00 0.00 C ATOM 484 C ALA A 32 4.860 0.797 -5.610 1.00 0.00 C ATOM 485 O ALA A 32 5.271 1.953 -5.504 1.00 0.00 O ATOM 486 CB ALA A 32 5.907 -0.850 -7.262 1.00 0.00 C ATOM 0 H ALA A 32 5.317 -2.365 -5.486 1.00 0.00 H new ATOM 0 HA ALA A 32 6.825 0.035 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.155 -0.013 -7.915 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.668 -1.624 -7.360 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.937 -1.257 -7.546 1.00 0.00 H new ATOM 492 N LEU A 33 3.565 0.489 -5.481 1.00 0.00 N ATOM 493 CA LEU A 33 2.501 1.454 -5.180 1.00 0.00 C ATOM 494 C LEU A 33 2.684 2.117 -3.804 1.00 0.00 C ATOM 495 O LEU A 33 2.761 3.343 -3.709 1.00 0.00 O ATOM 496 CB LEU A 33 1.143 0.734 -5.334 1.00 0.00 C ATOM 497 CG LEU A 33 -0.158 1.556 -5.184 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.509 1.912 -3.737 1.00 0.00 C ATOM 499 CD2 LEU A 33 -0.133 2.833 -6.025 1.00 0.00 C ATOM 0 H LEU A 33 3.218 -0.464 -5.586 1.00 0.00 H new ATOM 0 HA LEU A 33 2.543 2.283 -5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.127 0.268 -6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.111 -0.071 -4.600 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.938 0.891 -5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.434 2.488 -3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.639 0.997 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.296 2.504 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.067 3.377 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.702 3.459 -5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.016 2.574 -7.077 1.00 0.00 H new ATOM 511 N ALA A 34 2.803 1.326 -2.733 1.00 0.00 N ATOM 512 CA ALA A 34 2.946 1.833 -1.372 1.00 0.00 C ATOM 513 C ALA A 34 4.257 2.620 -1.165 1.00 0.00 C ATOM 514 O ALA A 34 4.262 3.635 -0.465 1.00 0.00 O ATOM 515 CB ALA A 34 2.815 0.656 -0.398 1.00 0.00 C ATOM 0 H ALA A 34 2.802 0.308 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 34 2.152 2.554 -1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.919 1.017 0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.837 0.190 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.595 -0.077 -0.606 1.00 0.00 H new ATOM 521 N LEU A 35 5.350 2.204 -1.818 1.00 0.00 N ATOM 522 CA LEU A 35 6.644 2.898 -1.800 1.00 0.00 C ATOM 523 C LEU A 35 6.562 4.267 -2.505 1.00 0.00 C ATOM 524 O LEU A 35 7.059 5.269 -1.982 1.00 0.00 O ATOM 525 CB LEU A 35 7.698 1.961 -2.427 1.00 0.00 C ATOM 526 CG LEU A 35 9.191 2.282 -2.240 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.682 3.530 -2.962 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.559 2.370 -0.764 1.00 0.00 C ATOM 0 H LEU A 35 5.359 1.357 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 35 6.938 3.123 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.525 0.960 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.503 1.918 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 35 9.702 1.441 -2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.745 3.669 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.521 3.417 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.131 4.399 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.620 2.598 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.974 3.158 -0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.346 1.417 -0.279 1.00 0.00 H new ATOM 540 N LYS A 36 5.864 4.343 -3.649 1.00 0.00 N ATOM 541 CA LYS A 36 5.574 5.604 -4.360 1.00 0.00 C ATOM 542 C LYS A 36 4.791 6.579 -3.469 1.00 0.00 C ATOM 543 O LYS A 36 5.215 7.722 -3.305 1.00 0.00 O ATOM 544 CB LYS A 36 4.831 5.285 -5.668 1.00 0.00 C ATOM 545 CG LYS A 36 4.642 6.503 -6.583 1.00 0.00 C ATOM 546 CD LYS A 36 3.900 6.095 -7.869 1.00 0.00 C ATOM 547 CE LYS A 36 3.663 7.275 -8.824 1.00 0.00 C ATOM 548 NZ LYS A 36 4.917 7.757 -9.465 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.479 3.521 -4.114 1.00 0.00 H new ATOM 0 HA LYS A 36 6.510 6.105 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.382 4.516 -6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.853 4.867 -5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.079 7.276 -6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.612 6.931 -6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.475 5.326 -8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.941 5.651 -7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.957 6.974 -9.598 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.203 8.096 -8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.699 8.553 -10.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.584 8.071 -8.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.345 6.985 -10.014 1.00 0.00 H new ATOM 562 N LEU A 37 3.720 6.114 -2.819 1.00 0.00 N ATOM 563 CA LEU A 37 2.953 6.902 -1.842 1.00 0.00 C ATOM 564 C LEU A 37 3.821 7.363 -0.652 1.00 0.00 C ATOM 565 O LEU A 37 3.733 8.524 -0.249 1.00 0.00 O ATOM 566 CB LEU A 37 1.763 6.063 -1.335 1.00 0.00 C ATOM 567 CG LEU A 37 0.431 6.272 -2.083 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.506 6.040 -3.587 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.607 5.318 -1.495 1.00 0.00 C ATOM 0 H LEU A 37 3.355 5.171 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 37 2.594 7.801 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.032 5.009 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.606 6.289 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 37 0.163 7.320 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.475 6.209 -4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.227 6.730 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.820 5.015 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.557 5.451 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.267 4.290 -1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.738 5.532 -0.434 1.00 0.00 H new ATOM 581 N LYS A 38 4.687 6.491 -0.117 1.00 0.00 N ATOM 582 CA LYS A 38 5.584 6.795 1.008 1.00 0.00 C ATOM 583 C LYS A 38 6.580 7.906 0.656 1.00 0.00 C ATOM 584 O LYS A 38 6.693 8.871 1.406 1.00 0.00 O ATOM 585 CB LYS A 38 6.286 5.499 1.463 1.00 0.00 C ATOM 586 CG LYS A 38 7.244 5.658 2.651 1.00 0.00 C ATOM 587 CD LYS A 38 6.602 6.248 3.921 1.00 0.00 C ATOM 588 CE LYS A 38 7.504 6.090 5.153 1.00 0.00 C ATOM 589 NZ LYS A 38 8.847 6.714 4.978 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.786 5.536 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 38 4.995 7.179 1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.524 4.765 1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.843 5.091 0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.666 4.683 2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.073 6.298 2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.390 7.305 3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.647 5.756 4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.012 6.538 6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.628 5.029 5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.391 6.619 5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.354 6.237 4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.734 7.722 4.747 1.00 0.00 H new ATOM 603 N GLN A 39 7.269 7.818 -0.482 1.00 0.00 N ATOM 604 CA GLN A 39 8.206 8.872 -0.881 1.00 0.00 C ATOM 605 C GLN A 39 7.495 10.176 -1.305 1.00 0.00 C ATOM 606 O GLN A 39 8.017 11.256 -1.038 1.00 0.00 O ATOM 607 CB GLN A 39 9.229 8.368 -1.907 1.00 0.00 C ATOM 608 CG GLN A 39 8.683 8.125 -3.314 1.00 0.00 C ATOM 609 CD GLN A 39 9.757 7.518 -4.211 1.00 0.00 C ATOM 610 OE1 GLN A 39 10.837 8.061 -4.409 1.00 0.00 O ATOM 611 NE2 GLN A 39 9.517 6.342 -4.749 1.00 0.00 N ATOM 0 H GLN A 39 7.199 7.039 -1.137 1.00 0.00 H new ATOM 0 HA GLN A 39 8.778 9.141 0.007 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.041 9.092 -1.971 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.660 7.438 -1.538 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.823 7.458 -3.265 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.334 9.065 -3.741 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.621 5.882 -4.590 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.227 5.890 -5.325 1.00 0.00 H new ATOM 620 N GLN A 40 6.279 10.114 -1.868 1.00 0.00 N ATOM 621 CA GLN A 40 5.480 11.314 -2.170 1.00 0.00 C ATOM 622 C GLN A 40 5.153 12.138 -0.915 1.00 0.00 C ATOM 623 O GLN A 40 5.331 13.353 -0.921 1.00 0.00 O ATOM 624 CB GLN A 40 4.160 10.933 -2.858 1.00 0.00 C ATOM 625 CG GLN A 40 4.285 10.614 -4.351 1.00 0.00 C ATOM 626 CD GLN A 40 2.990 10.030 -4.926 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.043 9.684 -4.225 1.00 0.00 O ATOM 628 NE2 GLN A 40 2.886 9.921 -6.233 1.00 0.00 N ATOM 0 H GLN A 40 5.823 9.238 -2.126 1.00 0.00 H new ATOM 0 HA GLN A 40 6.093 11.923 -2.834 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.738 10.066 -2.349 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.452 11.752 -2.733 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.545 11.522 -4.895 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.100 9.907 -4.503 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.662 10.203 -6.832 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.029 9.554 -6.648 1.00 0.00 H new ATOM 637 N GLN A 41 4.698 11.501 0.172 1.00 0.00 N ATOM 638 CA GLN A 41 4.372 12.204 1.420 1.00 0.00 C ATOM 639 C GLN A 41 5.613 12.696 2.196 1.00 0.00 C ATOM 640 O GLN A 41 5.493 13.576 3.051 1.00 0.00 O ATOM 641 CB GLN A 41 3.434 11.350 2.296 1.00 0.00 C ATOM 642 CG GLN A 41 4.074 10.100 2.933 1.00 0.00 C ATOM 643 CD GLN A 41 3.270 9.549 4.109 1.00 0.00 C ATOM 644 OE1 GLN A 41 3.821 9.169 5.137 1.00 0.00 O ATOM 645 NE2 GLN A 41 1.957 9.499 4.033 1.00 0.00 N ATOM 0 H GLN A 41 4.547 10.493 0.212 1.00 0.00 H new ATOM 0 HA GLN A 41 3.841 13.113 1.138 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.037 11.979 3.093 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.587 11.033 1.688 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.175 9.324 2.174 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.080 10.347 3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.483 9.811 3.185 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.413 9.148 4.822 1.00 0.00 H new ATOM 901 N LYS B 115 14.304 2.519 1.595 1.00 0.00 N ATOM 902 CA LYS B 115 13.375 1.943 0.607 1.00 0.00 C ATOM 903 C LYS B 115 13.454 0.416 0.535 1.00 0.00 C ATOM 904 O LYS B 115 12.427 -0.246 0.400 1.00 0.00 O ATOM 905 CB LYS B 115 13.638 2.577 -0.768 1.00 0.00 C ATOM 906 CG LYS B 115 13.220 4.056 -0.789 1.00 0.00 C ATOM 907 CD LYS B 115 13.519 4.718 -2.140 1.00 0.00 C ATOM 908 CE LYS B 115 12.753 6.037 -2.250 1.00 0.00 C ATOM 909 NZ LYS B 115 13.268 6.892 -3.346 1.00 0.00 N1+ ATOM 0 HA LYS B 115 12.360 2.174 0.930 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.697 2.492 -1.014 1.00 0.00 H new ATOM 0 HB3 LYS B 115 13.088 2.030 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.154 4.135 -0.575 1.00 0.00 H new ATOM 0 HG3 LYS B 115 13.745 4.592 0.002 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.589 4.899 -2.238 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.233 4.051 -2.954 1.00 0.00 H new ATOM 0 HE2 LYS B 115 11.696 5.829 -2.419 1.00 0.00 H new ATOM 0 HE3 LYS B 115 12.824 6.577 -1.306 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 12.473 7.373 -3.814 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 13.920 7.602 -2.955 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.772 6.302 -4.039 1.00 0.00 H new ATOM 923 N ASP B 116 14.654 -0.155 0.670 1.00 0.00 N ATOM 924 CA ASP B 116 14.863 -1.610 0.695 1.00 0.00 C ATOM 925 C ASP B 116 14.238 -2.262 1.951 1.00 0.00 C ATOM 926 O ASP B 116 13.559 -3.288 1.867 1.00 0.00 O ATOM 927 CB ASP B 116 16.370 -1.888 0.625 1.00 0.00 C ATOM 928 CG ASP B 116 16.723 -3.381 0.507 1.00 0.00 C ATOM 929 OD1 ASP B 116 15.969 -4.158 -0.128 1.00 0.00 O ATOM 930 OD2 ASP B 116 17.785 -3.784 1.039 1.00 0.00 O1- ATOM 0 H ASP B 116 15.516 0.381 0.766 1.00 0.00 H new ATOM 0 HA ASP B 116 14.362 -2.054 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.788 -1.357 -0.230 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.847 -1.481 1.517 1.00 0.00 H new ATOM 935 N ASP B 117 14.391 -1.618 3.113 1.00 0.00 N ATOM 936 CA ASP B 117 13.746 -2.031 4.365 1.00 0.00 C ATOM 937 C ASP B 117 12.210 -1.874 4.311 1.00 0.00 C ATOM 938 O ASP B 117 11.476 -2.706 4.852 1.00 0.00 O ATOM 939 CB ASP B 117 14.341 -1.217 5.527 1.00 0.00 C ATOM 940 CG ASP B 117 13.897 -1.705 6.918 1.00 0.00 C ATOM 941 OD1 ASP B 117 13.708 -0.852 7.821 1.00 0.00 O ATOM 942 OD2 ASP B 117 13.781 -2.936 7.137 1.00 0.00 O1- ATOM 0 H ASP B 117 14.973 -0.786 3.212 1.00 0.00 H new ATOM 0 HA ASP B 117 13.941 -3.092 4.519 1.00 0.00 H new ATOM 0 HB2 ASP B 117 15.429 -1.258 5.468 1.00 0.00 H new ATOM 0 HB3 ASP B 117 14.055 -0.172 5.410 1.00 0.00 H new ATOM 947 N TYR B 118 11.707 -0.854 3.606 1.00 0.00 N ATOM 948 CA TYR B 118 10.272 -0.636 3.422 1.00 0.00 C ATOM 949 C TYR B 118 9.647 -1.730 2.540 1.00 0.00 C ATOM 950 O TYR B 118 8.623 -2.305 2.903 1.00 0.00 O ATOM 951 CB TYR B 118 10.023 0.776 2.867 1.00 0.00 C ATOM 952 CG TYR B 118 8.724 1.387 3.355 1.00 0.00 C ATOM 953 CD1 TYR B 118 8.671 1.915 4.664 1.00 0.00 C ATOM 954 CD2 TYR B 118 7.575 1.414 2.538 1.00 0.00 C ATOM 955 CE1 TYR B 118 7.468 2.451 5.164 1.00 0.00 C ATOM 956 CE2 TYR B 118 6.370 1.959 3.031 1.00 0.00 C ATOM 957 CZ TYR B 118 6.317 2.475 4.347 1.00 0.00 C ATOM 958 OH TYR B 118 5.144 2.945 4.848 1.00 0.00 O ATOM 0 H TYR B 118 12.289 -0.154 3.146 1.00 0.00 H new ATOM 0 HA TYR B 118 9.778 -0.706 4.391 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.852 1.424 3.153 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.012 0.735 1.778 1.00 0.00 H new ATOM 0 HD1 TYR B 118 9.556 1.908 5.284 1.00 0.00 H new ATOM 0 HD2 TYR B 118 7.617 1.017 1.534 1.00 0.00 H new ATOM 0 HE1 TYR B 118 7.426 2.843 6.170 1.00 0.00 H new ATOM 0 HE2 TYR B 118 5.490 1.982 2.405 1.00 0.00 H new ATOM 0 HH TYR B 118 5.258 3.877 5.128 1.00 0.00 H new ATOM 968 N LEU B 119 10.293 -2.109 1.428 1.00 0.00 N ATOM 969 CA LEU B 119 9.885 -3.266 0.617 1.00 0.00 C ATOM 970 C LEU B 119 9.935 -4.582 1.422 1.00 0.00 C ATOM 971 O LEU B 119 9.021 -5.403 1.309 1.00 0.00 O ATOM 972 CB LEU B 119 10.763 -3.346 -0.649 1.00 0.00 C ATOM 973 CG LEU B 119 10.077 -2.732 -1.879 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.686 -1.263 -1.712 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.979 -2.847 -3.105 1.00 0.00 C ATOM 0 H LEU B 119 11.113 -1.623 1.065 1.00 0.00 H new ATOM 0 HA LEU B 119 8.846 -3.127 0.319 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.706 -2.830 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU B 119 11.005 -4.389 -0.854 1.00 0.00 H new ATOM 0 HG LEU B 119 9.157 -3.303 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU B 119 9.208 -0.908 -2.625 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.992 -1.164 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.578 -0.669 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.478 -2.407 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.914 -2.318 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU B 119 11.190 -3.898 -3.304 1.00 0.00 H new ATOM 987 N SER B 120 10.951 -4.762 2.269 1.00 0.00 N ATOM 988 CA SER B 120 11.071 -5.931 3.151 1.00 0.00 C ATOM 989 C SER B 120 9.924 -6.026 4.169 1.00 0.00 C ATOM 990 O SER B 120 9.305 -7.092 4.290 1.00 0.00 O ATOM 991 CB SER B 120 12.427 -5.911 3.858 1.00 0.00 C ATOM 992 OG SER B 120 12.620 -7.076 4.645 1.00 0.00 O ATOM 0 H SER B 120 11.720 -4.098 2.365 1.00 0.00 H new ATOM 0 HA SER B 120 11.001 -6.821 2.526 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.223 -5.835 3.118 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.495 -5.027 4.492 1.00 0.00 H new ATOM 0 HG SER B 120 13.496 -7.034 5.083 1.00 0.00 H new ATOM 998 N ARG B 121 9.573 -4.927 4.861 1.00 0.00 N ATOM 999 CA ARG B 121 8.471 -4.921 5.850 1.00 0.00 C ATOM 1000 C ARG B 121 7.084 -5.076 5.203 1.00 0.00 C ATOM 1001 O ARG B 121 6.235 -5.760 5.769 1.00 0.00 O ATOM 1002 CB ARG B 121 8.567 -3.700 6.793 1.00 0.00 C ATOM 1003 CG ARG B 121 7.827 -2.450 6.289 1.00 0.00 C ATOM 1004 CD ARG B 121 7.959 -1.240 7.215 1.00 0.00 C ATOM 1005 NE ARG B 121 6.928 -0.237 6.883 1.00 0.00 N ATOM 1006 CZ ARG B 121 5.694 -0.184 7.355 1.00 0.00 C ATOM 1007 NH1 ARG B 121 5.270 -0.986 8.289 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 4.837 0.677 6.901 1.00 0.00 N ATOM 0 H ARG B 121 10.037 -4.025 4.755 1.00 0.00 H new ATOM 0 HA ARG B 121 8.595 -5.809 6.470 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.166 -3.977 7.768 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.618 -3.451 6.940 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.210 -2.185 5.303 1.00 0.00 H new ATOM 0 HG3 ARG B 121 6.771 -2.689 6.167 1.00 0.00 H new ATOM 0 HD2 ARG B 121 7.853 -1.553 8.254 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.952 -0.801 7.114 1.00 0.00 H new ATOM 0 HE ARG B 121 7.195 0.491 6.220 1.00 0.00 H new ATOM 0 HH11 ARG B 121 5.898 -1.687 8.683 1.00 0.00 H new ATOM 0 HH12 ARG B 121 4.310 -0.913 8.627 1.00 0.00 H new ATOM 0 HH21 ARG B 121 5.110 1.330 6.166 1.00 0.00 H new ATOM 0 HH22 ARG B 121 3.890 0.701 7.279 1.00 0.00 H new ATOM 1022 N LEU B 122 6.859 -4.497 4.019 1.00 0.00 N ATOM 1023 CA LEU B 122 5.574 -4.562 3.300 1.00 0.00 C ATOM 1024 C LEU B 122 5.189 -6.002 2.898 1.00 0.00 C ATOM 1025 O LEU B 122 4.000 -6.331 2.852 1.00 0.00 O ATOM 1026 CB LEU B 122 5.621 -3.617 2.085 1.00 0.00 C ATOM 1027 CG LEU B 122 5.043 -2.200 2.321 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.393 -1.514 3.646 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.523 -1.283 1.191 1.00 0.00 C ATOM 0 H LEU B 122 7.572 -3.962 3.523 1.00 0.00 H new ATOM 0 HA LEU B 122 4.787 -4.230 3.977 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.658 -3.519 1.763 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.075 -4.081 1.264 1.00 0.00 H new ATOM 0 HG LEU B 122 3.964 -2.354 2.351 1.00 0.00 H new ATOM 0 HD11 LEU B 122 4.925 -0.530 3.681 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.029 -2.119 4.476 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.475 -1.404 3.724 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.124 -0.280 1.342 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.612 -1.244 1.192 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.174 -1.672 0.234 1.00 0.00 H new ATOM 1041 N SER B 123 6.175 -6.882 2.699 1.00 0.00 N ATOM 1042 CA SER B 123 5.979 -8.323 2.484 1.00 0.00 C ATOM 1043 C SER B 123 5.352 -9.058 3.685 1.00 0.00 C ATOM 1044 O SER B 123 4.754 -10.121 3.503 1.00 0.00 O ATOM 1045 CB SER B 123 7.323 -8.961 2.123 1.00 0.00 C ATOM 1046 OG SER B 123 7.138 -10.261 1.578 1.00 0.00 O ATOM 0 H SER B 123 7.157 -6.607 2.682 1.00 0.00 H new ATOM 0 HA SER B 123 5.264 -8.426 1.668 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.847 -8.332 1.403 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.952 -9.021 3.011 1.00 0.00 H new ATOM 0 HG SER B 123 8.010 -10.649 1.353 1.00 0.00 H new ATOM 1052 N ARG B 124 5.476 -8.522 4.910 1.00 0.00 N ATOM 1053 CA ARG B 124 5.025 -9.179 6.159 1.00 0.00 C ATOM 1054 C ARG B 124 3.519 -9.061 6.428 1.00 0.00 C ATOM 1055 O ARG B 124 2.981 -9.864 7.194 1.00 0.00 O ATOM 1056 CB ARG B 124 5.807 -8.614 7.361 1.00 0.00 C ATOM 1057 CG ARG B 124 7.344 -8.674 7.246 1.00 0.00 C ATOM 1058 CD ARG B 124 7.902 -10.086 7.033 1.00 0.00 C ATOM 1059 NE ARG B 124 7.576 -10.984 8.158 1.00 0.00 N ATOM 1060 CZ ARG B 124 7.822 -12.283 8.233 1.00 0.00 C ATOM 1061 NH1 ARG B 124 8.387 -12.944 7.263 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 7.484 -12.951 9.300 1.00 0.00 N ATOM 0 H ARG B 124 5.898 -7.607 5.069 1.00 0.00 H new ATOM 0 HA ARG B 124 5.228 -10.241 6.025 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.512 -7.575 7.507 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.506 -9.159 8.256 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.660 -8.041 6.417 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.782 -8.255 8.152 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.498 -10.500 6.109 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.984 -10.034 6.912 1.00 0.00 H new ATOM 0 HE ARG B 124 7.113 -10.560 8.962 1.00 0.00 H new ATOM 0 HH11 ARG B 124 8.657 -12.461 6.406 1.00 0.00 H new ATOM 0 HH12 ARG B 124 8.559 -13.945 7.360 1.00 0.00 H new ATOM 0 HH21 ARG B 124 7.030 -12.473 10.078 1.00 0.00 H new ATOM 0 HH22 ARG B 124 7.674 -13.952 9.357 1.00 0.00 H new ATOM 1076 N LEU B 125 2.838 -8.078 5.838 1.00 0.00 N ATOM 1077 CA LEU B 125 1.406 -7.833 6.056 1.00 0.00 C ATOM 1078 C LEU B 125 0.495 -8.899 5.416 1.00 0.00 C ATOM 1079 O LEU B 125 0.801 -9.462 4.365 1.00 0.00 O ATOM 1080 CB LEU B 125 1.005 -6.432 5.544 1.00 0.00 C ATOM 1081 CG LEU B 125 1.482 -5.182 6.320 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.485 -5.349 7.843 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.864 -4.722 5.872 1.00 0.00 C ATOM 0 H LEU B 125 3.267 -7.420 5.187 1.00 0.00 H new ATOM 0 HA LEU B 125 1.256 -7.892 7.134 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.367 -6.341 4.520 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.084 -6.397 5.502 1.00 0.00 H new ATOM 0 HG LEU B 125 0.740 -4.422 6.075 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.832 -4.427 8.309 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.475 -5.571 8.187 1.00 0.00 H new ATOM 0 HD13 LEU B 125 2.150 -6.168 8.118 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.158 -3.842 6.444 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.586 -5.521 6.040 1.00 0.00 H new ATOM 0 HD23 LEU B 125 2.838 -4.473 4.811 1.00 0.00 H new ATOM 1095 N SER B 126 -0.671 -9.112 6.028 1.00 0.00 N ATOM 1096 CA SER B 126 -1.837 -9.725 5.364 1.00 0.00 C ATOM 1097 C SER B 126 -2.542 -8.710 4.449 1.00 0.00 C ATOM 1098 O SER B 126 -2.320 -7.498 4.565 1.00 0.00 O ATOM 1099 CB SER B 126 -2.792 -10.287 6.425 1.00 0.00 C ATOM 1100 OG SER B 126 -3.809 -11.071 5.830 1.00 0.00 O ATOM 0 H SER B 126 -0.840 -8.865 7.003 1.00 0.00 H new ATOM 0 HA SER B 126 -1.501 -10.546 4.731 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.233 -10.892 7.139 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.241 -9.467 6.985 1.00 0.00 H new ATOM 0 HG SER B 126 -4.404 -11.419 6.527 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.391 -9.163 3.516 1.00 0.00 N ATOM 1107 CA LYS B 127 -3.910 -8.319 2.425 1.00 0.00 C ATOM 1108 C LYS B 127 -4.809 -7.165 2.892 1.00 0.00 C ATOM 1109 O LYS B 127 -4.801 -6.095 2.288 1.00 0.00 O ATOM 1110 CB LYS B 127 -4.592 -9.185 1.352 1.00 0.00 C ATOM 1111 CG LYS B 127 -4.211 -8.686 -0.054 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.756 -9.600 -1.154 1.00 0.00 C ATOM 1113 CE LYS B 127 -4.387 -9.100 -2.554 1.00 0.00 C ATOM 1114 NZ LYS B 127 -2.935 -9.239 -2.853 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.738 -10.122 3.494 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.044 -7.828 1.981 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.292 -10.226 1.470 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.674 -9.148 1.478 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -4.597 -7.677 -0.197 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -3.126 -8.627 -0.136 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -4.364 -10.608 -1.015 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -5.841 -9.665 -1.067 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -4.961 -9.655 -3.296 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -4.674 -8.053 -2.648 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -2.734 -8.839 -3.792 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -2.382 -8.730 -2.134 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -2.673 -10.245 -2.842 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.531 -7.341 3.996 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.309 -6.272 4.635 1.00 0.00 C ATOM 1130 C ASN B 128 -5.412 -5.228 5.337 1.00 0.00 C ATOM 1131 O ASN B 128 -5.736 -4.040 5.339 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.340 -6.904 5.591 1.00 0.00 C ATOM 1133 CG ASN B 128 -6.749 -7.580 6.822 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -5.753 -8.285 6.770 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -7.335 -7.379 7.981 1.00 0.00 N ATOM 0 H ASN B 128 -5.596 -8.236 4.480 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.841 -5.715 3.864 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -8.032 -6.128 5.918 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -7.924 -7.639 5.037 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -6.957 -7.810 8.825 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -8.167 -6.792 8.037 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.275 -5.645 5.907 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.345 -4.762 6.629 1.00 0.00 C ATOM 1144 C GLN B 129 -2.530 -3.881 5.668 1.00 0.00 C ATOM 1145 O GLN B 129 -2.376 -2.686 5.922 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.423 -5.584 7.541 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.189 -6.369 8.621 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.265 -7.117 9.590 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.211 -6.650 10.003 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.617 -8.321 9.995 1.00 0.00 N ATOM 0 H GLN B 129 -3.969 -6.618 5.881 1.00 0.00 H new ATOM 0 HA GLN B 129 -3.939 -4.092 7.251 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -1.847 -6.281 6.933 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.709 -4.916 8.023 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.817 -5.680 9.186 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -3.855 -7.084 8.138 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.490 -8.735 9.667 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -2.017 -8.839 10.636 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.050 -4.424 4.539 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.403 -3.620 3.484 1.00 0.00 C ATOM 1161 C LEU B 130 -2.377 -2.632 2.818 1.00 0.00 C ATOM 1162 O LEU B 130 -1.976 -1.525 2.464 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.663 -4.519 2.467 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.522 -5.500 1.646 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.113 -4.894 0.363 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -0.687 -6.721 1.254 1.00 0.00 C ATOM 0 H LEU B 130 -2.097 -5.421 4.330 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.645 -3.001 3.964 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.127 -3.873 1.771 1.00 0.00 H new ATOM 0 HB3 LEU B 130 0.087 -5.096 3.008 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.356 -5.770 2.294 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.704 -5.648 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.750 -4.048 0.620 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.305 -4.556 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.301 -7.410 0.674 1.00 0.00 H new ATOM 0 HD22 LEU B 130 0.166 -6.402 0.655 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.330 -7.222 2.154 1.00 0.00 H new ATOM 1178 N MET B 131 -3.663 -2.987 2.703 1.00 0.00 N ATOM 1179 CA MET B 131 -4.701 -2.072 2.207 1.00 0.00 C ATOM 1180 C MET B 131 -4.944 -0.918 3.177 1.00 0.00 C ATOM 1181 O MET B 131 -4.973 0.236 2.751 1.00 0.00 O ATOM 1182 CB MET B 131 -6.008 -2.837 1.923 1.00 0.00 C ATOM 1183 CG MET B 131 -5.997 -3.397 0.501 1.00 0.00 C ATOM 1184 SD MET B 131 -7.582 -4.084 -0.063 1.00 0.00 S ATOM 1185 CE MET B 131 -7.476 -5.759 0.620 1.00 0.00 C ATOM 0 H MET B 131 -4.013 -3.913 2.950 1.00 0.00 H new ATOM 0 HA MET B 131 -4.344 -1.641 1.272 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.125 -3.650 2.640 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.862 -2.172 2.053 1.00 0.00 H new ATOM 0 HG2 MET B 131 -5.697 -2.604 -0.184 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.237 -4.176 0.439 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.252 -6.382 0.177 1.00 0.00 H new ATOM 0 HE2 MET B 131 -6.497 -6.183 0.394 1.00 0.00 H new ATOM 0 HE3 MET B 131 -7.614 -5.721 1.701 1.00 0.00 H new ATOM 1195 N ALA B 132 -5.043 -1.201 4.479 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.155 -0.177 5.516 1.00 0.00 C ATOM 1197 C ALA B 132 -3.928 0.757 5.550 1.00 0.00 C ATOM 1198 O ALA B 132 -4.091 1.976 5.644 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.387 -0.876 6.866 1.00 0.00 C ATOM 0 H ALA B 132 -5.048 -2.154 4.843 1.00 0.00 H new ATOM 0 HA ALA B 132 -6.003 0.469 5.292 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.473 -0.127 7.653 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.305 -1.461 6.820 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.547 -1.536 7.083 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.715 0.214 5.407 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.467 0.979 5.367 1.00 0.00 C ATOM 1207 C LEU B 133 -1.397 1.895 4.132 1.00 0.00 C ATOM 1208 O LEU B 133 -1.178 3.101 4.272 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.285 -0.008 5.470 1.00 0.00 C ATOM 1210 CG LEU B 133 1.150 0.559 5.556 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.699 1.062 4.214 1.00 0.00 C ATOM 1212 CD2 LEU B 133 1.278 1.667 6.604 1.00 0.00 C ATOM 0 H LEU B 133 -2.571 -0.792 5.314 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.418 1.659 6.217 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.448 -0.629 6.351 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.328 -0.667 4.603 1.00 0.00 H new ATOM 0 HG LEU B 133 1.757 -0.294 5.861 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.710 1.445 4.355 1.00 0.00 H new ATOM 0 HD12 LEU B 133 1.719 0.240 3.498 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.059 1.859 3.835 1.00 0.00 H new ATOM 0 HD21 LEU B 133 2.305 2.031 6.625 1.00 0.00 H new ATOM 0 HD22 LEU B 133 0.607 2.488 6.350 1.00 0.00 H new ATOM 0 HD23 LEU B 133 1.013 1.272 7.585 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.626 1.360 2.929 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.586 2.145 1.694 1.00 0.00 C ATOM 1226 C ALA B 134 -2.685 3.226 1.650 1.00 0.00 C ATOM 1227 O ALA B 134 -2.421 4.353 1.232 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.689 1.183 0.511 1.00 0.00 C ATOM 0 H ALA B 134 -1.844 0.374 2.785 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.642 2.688 1.646 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.661 1.748 -0.421 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -0.853 0.484 0.537 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.626 0.630 0.572 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.896 2.927 2.144 1.00 0.00 N ATOM 1235 CA LEU B 135 -4.989 3.901 2.266 1.00 0.00 C ATOM 1236 C LEU B 135 -4.633 5.018 3.261 1.00 0.00 C ATOM 1237 O LEU B 135 -4.823 6.193 2.944 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.278 3.137 2.639 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.615 3.894 2.587 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.787 4.985 3.641 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.870 4.497 1.210 1.00 0.00 C ATOM 0 H LEU B 135 -4.145 1.994 2.473 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.155 4.410 1.316 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.358 2.276 1.976 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.154 2.750 3.650 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.352 3.122 2.810 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.761 5.458 3.519 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.719 4.544 4.636 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -7.003 5.733 3.522 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.824 5.023 1.214 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.071 5.197 0.966 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -7.897 3.702 0.464 1.00 0.00 H new ATOM 1253 N LYS B 136 -4.050 4.682 4.422 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.559 5.654 5.414 1.00 0.00 C ATOM 1255 C LYS B 136 -2.527 6.608 4.811 1.00 0.00 C ATOM 1256 O LYS B 136 -2.697 7.826 4.922 1.00 0.00 O ATOM 1257 CB LYS B 136 -3.022 4.900 6.643 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.494 5.847 7.737 1.00 0.00 C ATOM 1259 CD LYS B 136 -2.147 5.125 9.044 1.00 0.00 C ATOM 1260 CE LYS B 136 -1.013 4.100 8.882 1.00 0.00 C ATOM 1261 NZ LYS B 136 -0.650 3.483 10.185 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.904 3.713 4.703 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.387 6.285 5.737 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.815 4.278 7.058 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.221 4.229 6.331 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.607 6.361 7.367 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.244 6.612 7.940 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -1.859 5.862 9.794 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -3.036 4.618 9.420 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -1.320 3.323 8.183 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -0.138 4.588 8.452 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 0.118 2.796 10.042 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -0.334 4.223 10.844 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -1.479 2.997 10.582 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.524 6.087 4.100 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.527 6.897 3.378 1.00 0.00 C ATOM 1277 C LEU B 137 -1.167 7.789 2.299 1.00 0.00 C ATOM 1278 O LEU B 137 -0.758 8.945 2.152 1.00 0.00 O ATOM 1279 CB LEU B 137 0.524 5.968 2.737 1.00 0.00 C ATOM 1280 CG LEU B 137 1.809 5.766 3.560 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.551 5.265 4.983 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.710 4.764 2.832 1.00 0.00 C ATOM 0 H LEU B 137 -1.376 5.082 4.005 1.00 0.00 H new ATOM 0 HA LEU B 137 -0.052 7.559 4.102 1.00 0.00 H new ATOM 0 HB2 LEU B 137 0.067 4.994 2.563 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.796 6.372 1.762 1.00 0.00 H new ATOM 0 HG LEU B 137 2.285 6.742 3.652 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.501 5.145 5.504 1.00 0.00 H new ATOM 0 HD12 LEU B 137 0.933 5.987 5.516 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.036 4.305 4.943 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.624 4.613 3.406 1.00 0.00 H new ATOM 0 HD22 LEU B 137 2.186 3.814 2.726 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.961 5.151 1.845 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.183 7.291 1.581 1.00 0.00 N ATOM 1295 CA LYS B 138 -2.929 8.053 0.569 1.00 0.00 C ATOM 1296 C LYS B 138 -3.691 9.226 1.196 1.00 0.00 C ATOM 1297 O LYS B 138 -3.466 10.370 0.799 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.871 7.112 -0.214 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.513 7.737 -1.462 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.508 7.996 -2.596 1.00 0.00 C ATOM 1301 CE LYS B 138 -4.254 8.271 -3.905 1.00 0.00 C ATOM 1302 NZ LYS B 138 -3.372 8.088 -5.083 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.515 6.333 1.688 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.216 8.484 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.310 6.227 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.663 6.775 0.455 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.300 7.077 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -4.989 8.678 -1.185 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.874 8.846 -2.344 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.852 7.134 -2.716 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -5.111 7.602 -3.984 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.644 9.289 -3.896 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.889 8.347 -5.947 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.533 8.695 -4.986 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -3.075 7.093 -5.143 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.550 8.981 2.193 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.372 10.032 2.803 1.00 0.00 C ATOM 1318 C GLN B 139 -4.538 11.082 3.562 1.00 0.00 C ATOM 1319 O GLN B 139 -4.914 12.255 3.580 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.500 9.433 3.664 1.00 0.00 C ATOM 1321 CG GLN B 139 -6.074 8.805 5.001 1.00 0.00 C ATOM 1322 CD GLN B 139 -7.273 8.615 5.926 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -7.566 9.436 6.786 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -8.024 7.544 5.792 1.00 0.00 N ATOM 0 H GLN B 139 -4.694 8.055 2.597 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.846 10.576 1.986 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -7.227 10.219 3.871 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.012 8.672 3.076 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -5.596 7.843 4.818 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -5.334 9.442 5.486 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -7.797 6.848 5.082 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -8.833 7.409 6.398 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.383 10.701 4.126 1.00 0.00 N ATOM 1334 CA GLN B 140 -2.464 11.614 4.817 1.00 0.00 C ATOM 1335 C GLN B 140 -1.993 12.766 3.919 1.00 0.00 C ATOM 1336 O GLN B 140 -1.936 13.907 4.379 1.00 0.00 O ATOM 1337 CB GLN B 140 -1.245 10.835 5.332 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.512 10.186 6.700 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.440 9.178 7.119 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.437 8.781 6.362 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.469 8.726 8.354 1.00 0.00 N ATOM 0 H GLN B 140 -3.057 9.735 4.114 1.00 0.00 H new ATOM 0 HA GLN B 140 -3.013 12.052 5.650 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.977 10.063 4.611 1.00 0.00 H new ATOM 0 HB3 GLN B 140 -0.391 11.508 5.411 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.580 10.968 7.457 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.479 9.685 6.672 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -1.193 9.046 8.997 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.232 8.055 8.668 1.00 0.00 H new