USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=15 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 23 SER OG : rot 180:sc= 0.739 USER MOD Set 1.2: B 127 LYS NZ :NH3+ 149:sc= 0.708 (180deg=0) USER MOD Set 2.1: A 39 GLN : amide:sc= 0.441 K(o=0.94,f=-0.42) USER MOD Set 2.2: B 115 LYS NZ :NH3+ -104:sc= 0.502 (180deg=0) USER MOD Set 3.1: A 38 LYS NZ :NH3+ -161:sc= 0.906 (180deg=0) USER MOD Set 3.2: A 41 GLN : amide:sc= 1.74 K(o=3.5,f=-2.4) USER MOD Set 3.3: B 140 GLN : amide:sc= 0.823 K(o=3.5,f=-2.4) USER MOD Set 4.1: A 15 LYS NZ :NH3+ -113:sc= 0.0681 (180deg=0) USER MOD Set 4.2: B 139 GLN : amide:sc= 0.033 X(o=0.1,f=0) USER MOD Single : A 18 TYR OH : rot 30:sc= 0.417 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= 0.935 (180deg=0.714) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.546 K(o=0.55,f=-4.2!) USER MOD Single : A 31 MET CE :methyl -165:sc= -0.136 (180deg=-0.238) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : B 118 TYR OH : rot 180:sc= 0 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 123 SER OG : rot -69:sc= 0.64 USER MOD Single : B 126 SER OG : rot 180:sc=-0.00365 USER MOD Single : B 128 ASN : amide:sc= 0.14 K(o=0.14,f=-3.2!) USER MOD Single : B 129 GLN : amide:sc= 0.617 K(o=0.62,f=-4.1!) USER MOD Single : B 131 MET CE :methyl 177:sc= -0.457 (180deg=-0.476) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 164 N TRP A 14 -14.438 7.467 -2.056 1.00 0.00 N ATOM 165 CA TRP A 14 -13.240 7.121 -2.834 1.00 0.00 C ATOM 166 C TRP A 14 -12.398 6.023 -2.157 1.00 0.00 C ATOM 167 O TRP A 14 -11.747 5.235 -2.843 1.00 0.00 O ATOM 168 CB TRP A 14 -12.402 8.390 -3.068 1.00 0.00 C ATOM 169 CG TRP A 14 -11.668 8.953 -1.878 1.00 0.00 C ATOM 170 CD1 TRP A 14 -12.099 9.977 -1.101 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.376 8.547 -1.322 1.00 0.00 C ATOM 172 NE1 TRP A 14 -11.171 10.227 -0.106 1.00 0.00 N ATOM 173 CE2 TRP A 14 -10.091 9.371 -0.193 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.408 7.572 -1.660 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.924 9.221 0.574 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.231 7.413 -0.895 1.00 0.00 C ATOM 177 CH2 TRP A 14 -7.989 8.229 0.221 1.00 0.00 C ATOM 0 HA TRP A 14 -13.564 6.714 -3.792 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.670 8.174 -3.847 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -13.062 9.165 -3.457 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -13.025 10.515 -1.238 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.272 10.953 0.603 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.572 6.938 -2.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.746 9.860 1.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.511 6.657 -1.171 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -7.091 8.097 0.806 1.00 0.00 H new ATOM 188 N LYS A 15 -12.433 5.929 -0.823 1.00 0.00 N ATOM 189 CA LYS A 15 -11.665 4.954 -0.028 1.00 0.00 C ATOM 190 C LYS A 15 -12.070 3.506 -0.314 1.00 0.00 C ATOM 191 O LYS A 15 -11.209 2.630 -0.389 1.00 0.00 O ATOM 192 CB LYS A 15 -11.829 5.283 1.466 1.00 0.00 C ATOM 193 CG LYS A 15 -11.201 6.635 1.843 1.00 0.00 C ATOM 194 CD LYS A 15 -11.493 6.991 3.301 1.00 0.00 C ATOM 195 CE LYS A 15 -10.782 8.297 3.676 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.164 8.745 5.037 1.00 0.00 N1+ ATOM 0 H LYS A 15 -13.010 6.543 -0.248 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.617 5.037 -0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.889 5.296 1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.370 4.494 2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.123 6.596 1.684 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.591 7.415 1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.568 7.097 3.450 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.159 6.185 3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.703 8.153 3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.033 9.072 2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.710 9.628 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.744 8.012 5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.306 8.909 5.602 1.00 0.00 H new ATOM 210 N ASP A 16 -13.362 3.251 -0.521 1.00 0.00 N ATOM 211 CA ASP A 16 -13.878 1.922 -0.873 1.00 0.00 C ATOM 212 C ASP A 16 -13.399 1.471 -2.266 1.00 0.00 C ATOM 213 O ASP A 16 -12.961 0.335 -2.453 1.00 0.00 O ATOM 214 CB ASP A 16 -15.411 1.960 -0.796 1.00 0.00 C ATOM 215 CG ASP A 16 -16.077 0.591 -1.028 1.00 0.00 C ATOM 216 OD1 ASP A 16 -15.541 -0.441 -0.556 1.00 0.00 O ATOM 217 OD2 ASP A 16 -17.170 0.547 -1.643 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.088 3.964 -0.449 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.491 1.189 -0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.707 2.337 0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.786 2.667 -1.537 1.00 0.00 H new ATOM 222 N ASP A 17 -13.402 2.385 -3.240 1.00 0.00 N ATOM 223 CA ASP A 17 -12.850 2.156 -4.581 1.00 0.00 C ATOM 224 C ASP A 17 -11.320 1.962 -4.550 1.00 0.00 C ATOM 225 O ASP A 17 -10.772 1.141 -5.293 1.00 0.00 O ATOM 226 CB ASP A 17 -13.234 3.341 -5.478 1.00 0.00 C ATOM 227 CG ASP A 17 -12.894 3.131 -6.967 1.00 0.00 C ATOM 228 OD1 ASP A 17 -13.063 2.002 -7.490 1.00 0.00 O ATOM 229 OD2 ASP A 17 -12.514 4.121 -7.640 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.793 3.319 -3.119 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.270 1.234 -4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.304 3.525 -5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.723 4.235 -5.121 1.00 0.00 H new ATOM 234 N TYR A 18 -10.623 2.661 -3.645 1.00 0.00 N ATOM 235 CA TYR A 18 -9.178 2.513 -3.447 1.00 0.00 C ATOM 236 C TYR A 18 -8.825 1.133 -2.872 1.00 0.00 C ATOM 237 O TYR A 18 -7.975 0.432 -3.414 1.00 0.00 O ATOM 238 CB TYR A 18 -8.635 3.660 -2.579 1.00 0.00 C ATOM 239 CG TYR A 18 -7.223 4.061 -2.955 1.00 0.00 C ATOM 240 CD1 TYR A 18 -7.028 4.866 -4.093 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.117 3.634 -2.194 1.00 0.00 C ATOM 242 CE1 TYR A 18 -5.724 5.225 -4.493 1.00 0.00 C ATOM 243 CE2 TYR A 18 -4.811 3.980 -2.597 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.614 4.761 -3.752 1.00 0.00 C ATOM 245 OH TYR A 18 -3.360 5.041 -4.197 1.00 0.00 O ATOM 0 H TYR A 18 -11.050 3.350 -3.026 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.691 2.575 -4.420 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.292 4.525 -2.675 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.656 3.359 -1.532 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.879 5.210 -4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.269 3.043 -1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.575 5.851 -5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.962 3.646 -2.020 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.368 5.891 -4.685 1.00 0.00 H new ATOM 255 N LEU A 19 -9.529 0.669 -1.836 1.00 0.00 N ATOM 256 CA LEU A 19 -9.403 -0.704 -1.311 1.00 0.00 C ATOM 257 C LEU A 19 -9.717 -1.760 -2.391 1.00 0.00 C ATOM 258 O LEU A 19 -9.007 -2.765 -2.493 1.00 0.00 O ATOM 259 CB LEU A 19 -10.315 -0.850 -0.073 1.00 0.00 C ATOM 260 CG LEU A 19 -9.569 -0.659 1.262 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.822 0.673 1.382 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.537 -0.742 2.438 1.00 0.00 C ATOM 0 H LEU A 19 -10.209 1.236 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.370 -0.882 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.122 -0.120 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.776 -1.838 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.834 -1.464 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.325 0.726 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.078 0.746 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.530 1.497 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.989 -0.605 3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.293 0.038 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.021 -1.718 2.442 1.00 0.00 H new ATOM 274 N SER A 20 -10.717 -1.514 -3.243 1.00 0.00 N ATOM 275 CA SER A 20 -11.071 -2.403 -4.358 1.00 0.00 C ATOM 276 C SER A 20 -9.947 -2.505 -5.401 1.00 0.00 C ATOM 277 O SER A 20 -9.591 -3.616 -5.800 1.00 0.00 O ATOM 278 CB SER A 20 -12.399 -1.952 -4.994 1.00 0.00 C ATOM 279 OG SER A 20 -12.841 -2.871 -5.981 1.00 0.00 O ATOM 0 H SER A 20 -11.309 -0.686 -3.179 1.00 0.00 H new ATOM 0 HA SER A 20 -11.204 -3.407 -3.956 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.160 -1.854 -4.220 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.273 -0.967 -5.443 1.00 0.00 H new ATOM 0 HG SER A 20 -13.687 -2.557 -6.365 1.00 0.00 H new ATOM 285 N ARG A 21 -9.329 -1.380 -5.808 1.00 0.00 N ATOM 286 CA ARG A 21 -8.216 -1.382 -6.786 1.00 0.00 C ATOM 287 C ARG A 21 -6.927 -1.985 -6.215 1.00 0.00 C ATOM 288 O ARG A 21 -6.260 -2.749 -6.910 1.00 0.00 O ATOM 289 CB ARG A 21 -8.014 0.014 -7.421 1.00 0.00 C ATOM 290 CG ARG A 21 -6.987 0.920 -6.719 1.00 0.00 C ATOM 291 CD ARG A 21 -6.861 2.285 -7.396 1.00 0.00 C ATOM 292 NE ARG A 21 -5.681 3.013 -6.888 1.00 0.00 N ATOM 293 CZ ARG A 21 -4.482 3.071 -7.437 1.00 0.00 C ATOM 294 NH1 ARG A 21 -4.182 2.457 -8.549 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -3.526 3.754 -6.876 1.00 0.00 N ATOM 0 H ARG A 21 -9.582 -0.450 -5.474 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.503 -2.049 -7.599 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.706 -0.119 -8.458 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.975 0.529 -7.438 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.279 1.059 -5.678 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.014 0.428 -6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.777 2.155 -8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.762 2.871 -7.214 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.806 3.528 -6.017 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.889 1.903 -9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.241 2.532 -8.935 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.699 4.252 -6.003 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.604 3.791 -7.310 1.00 0.00 H new ATOM 309 N LEU A 22 -6.604 -1.713 -4.946 1.00 0.00 N ATOM 310 CA LEU A 22 -5.418 -2.236 -4.252 1.00 0.00 C ATOM 311 C LEU A 22 -5.419 -3.773 -4.162 1.00 0.00 C ATOM 312 O LEU A 22 -4.355 -4.391 -4.241 1.00 0.00 O ATOM 313 CB LEU A 22 -5.329 -1.599 -2.849 1.00 0.00 C ATOM 314 CG LEU A 22 -4.450 -0.333 -2.756 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.637 0.710 -3.861 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.746 0.351 -1.418 1.00 0.00 C ATOM 0 H LEU A 22 -7.174 -1.107 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.537 -1.966 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.336 -1.348 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.941 -2.343 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.425 -0.690 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.966 1.551 -3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.410 0.260 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.668 1.063 -3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.137 1.250 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.801 0.621 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.511 -0.331 -0.601 1.00 0.00 H new ATOM 328 N SER A 23 -6.599 -4.394 -4.078 1.00 0.00 N ATOM 329 CA SER A 23 -6.774 -5.849 -4.089 1.00 0.00 C ATOM 330 C SER A 23 -6.276 -6.534 -5.376 1.00 0.00 C ATOM 331 O SER A 23 -5.915 -7.712 -5.339 1.00 0.00 O ATOM 332 CB SER A 23 -8.260 -6.171 -3.875 1.00 0.00 C ATOM 333 OG SER A 23 -8.439 -7.550 -3.598 1.00 0.00 O ATOM 0 H SER A 23 -7.480 -3.887 -3.999 1.00 0.00 H new ATOM 0 HA SER A 23 -6.158 -6.246 -3.282 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.651 -5.575 -3.050 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.828 -5.897 -4.764 1.00 0.00 H new ATOM 0 HG SER A 23 -9.392 -7.736 -3.463 1.00 0.00 H new ATOM 339 N ARG A 24 -6.234 -5.810 -6.507 1.00 0.00 N ATOM 340 CA ARG A 24 -5.898 -6.352 -7.838 1.00 0.00 C ATOM 341 C ARG A 24 -4.394 -6.532 -8.083 1.00 0.00 C ATOM 342 O ARG A 24 -4.014 -7.314 -8.957 1.00 0.00 O ATOM 343 CB ARG A 24 -6.505 -5.467 -8.937 1.00 0.00 C ATOM 344 CG ARG A 24 -8.012 -5.171 -8.804 1.00 0.00 C ATOM 345 CD ARG A 24 -8.899 -6.412 -8.626 1.00 0.00 C ATOM 346 NE ARG A 24 -8.774 -7.358 -9.754 1.00 0.00 N ATOM 347 CZ ARG A 24 -9.261 -8.589 -9.807 1.00 0.00 C ATOM 348 NH1 ARG A 24 -9.937 -9.111 -8.823 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -9.078 -9.331 -10.860 1.00 0.00 N ATOM 0 H ARG A 24 -6.437 -4.810 -6.524 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.331 -7.352 -7.870 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.968 -4.519 -8.952 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.332 -5.947 -9.900 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.164 -4.508 -7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.341 -4.631 -9.691 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.630 -6.918 -7.699 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.939 -6.101 -8.529 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.262 -7.031 -10.573 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.106 -8.568 -7.976 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.297 -10.062 -8.900 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.555 -8.966 -11.656 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.458 -10.277 -10.889 1.00 0.00 H new ATOM 363 N LEU A 25 -3.534 -5.817 -7.349 1.00 0.00 N ATOM 364 CA LEU A 25 -2.070 -5.869 -7.518 1.00 0.00 C ATOM 365 C LEU A 25 -1.461 -7.190 -7.013 1.00 0.00 C ATOM 366 O LEU A 25 -1.898 -7.758 -6.011 1.00 0.00 O ATOM 367 CB LEU A 25 -1.383 -4.670 -6.824 1.00 0.00 C ATOM 368 CG LEU A 25 -1.541 -3.262 -7.442 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.579 -3.246 -8.972 1.00 0.00 C ATOM 370 CD2 LEU A 25 -2.773 -2.537 -6.910 1.00 0.00 C ATOM 0 H LEU A 25 -3.834 -5.178 -6.612 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.886 -5.812 -8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.754 -4.625 -5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.317 -4.888 -6.768 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.638 -2.736 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.692 -2.220 -9.322 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.651 -3.663 -9.363 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.421 -3.843 -9.321 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.843 -1.552 -7.372 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.666 -3.114 -7.149 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.691 -2.426 -5.829 1.00 0.00 H new ATOM 382 N SER A 26 -0.399 -7.634 -7.690 1.00 0.00 N ATOM 383 CA SER A 26 0.526 -8.678 -7.217 1.00 0.00 C ATOM 384 C SER A 26 1.353 -8.203 -6.000 1.00 0.00 C ATOM 385 O SER A 26 1.441 -7.003 -5.727 1.00 0.00 O ATOM 386 CB SER A 26 1.442 -9.087 -8.381 1.00 0.00 C ATOM 387 OG SER A 26 2.288 -10.166 -8.028 1.00 0.00 O ATOM 0 H SER A 26 -0.148 -7.269 -8.609 1.00 0.00 H new ATOM 0 HA SER A 26 -0.052 -9.539 -6.882 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.834 -9.368 -9.241 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.048 -8.233 -8.684 1.00 0.00 H new ATOM 0 HG SER A 26 2.855 -10.401 -8.792 1.00 0.00 H new ATOM 393 N LYS A 27 2.003 -9.125 -5.273 1.00 0.00 N ATOM 394 CA LYS A 27 2.801 -8.846 -4.057 1.00 0.00 C ATOM 395 C LYS A 27 3.922 -7.827 -4.294 1.00 0.00 C ATOM 396 O LYS A 27 4.155 -6.941 -3.474 1.00 0.00 O ATOM 397 CB LYS A 27 3.380 -10.179 -3.538 1.00 0.00 C ATOM 398 CG LYS A 27 3.723 -10.165 -2.038 1.00 0.00 C ATOM 399 CD LYS A 27 2.484 -10.204 -1.125 1.00 0.00 C ATOM 400 CE LYS A 27 2.843 -9.947 0.348 1.00 0.00 C ATOM 401 NZ LYS A 27 3.601 -11.073 0.955 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.991 -10.115 -5.517 1.00 0.00 H new ATOM 0 HA LYS A 27 2.142 -8.396 -3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.661 -10.976 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.280 -10.419 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.359 -11.020 -1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.302 -9.269 -1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.765 -9.456 -1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.998 -11.176 -1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.435 -9.034 0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.929 -9.780 0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.035 -10.759 1.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.954 -11.865 1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.345 -11.384 0.299 1.00 0.00 H new ATOM 415 N ASN A 28 4.585 -7.927 -5.441 1.00 0.00 N ATOM 416 CA ASN A 28 5.618 -6.992 -5.890 1.00 0.00 C ATOM 417 C ASN A 28 5.043 -5.622 -6.301 1.00 0.00 C ATOM 418 O ASN A 28 5.644 -4.584 -6.022 1.00 0.00 O ATOM 419 CB ASN A 28 6.362 -7.661 -7.051 1.00 0.00 C ATOM 420 CG ASN A 28 7.221 -8.829 -6.592 1.00 0.00 C ATOM 421 OD1 ASN A 28 6.774 -9.963 -6.499 1.00 0.00 O ATOM 422 ND2 ASN A 28 8.479 -8.591 -6.291 1.00 0.00 N ATOM 0 H ASN A 28 4.416 -8.682 -6.106 1.00 0.00 H new ATOM 0 HA ASN A 28 6.299 -6.778 -5.066 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.640 -8.012 -7.788 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.992 -6.924 -7.549 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.082 -9.353 -5.980 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.852 -7.645 -6.369 1.00 0.00 H new ATOM 429 N GLN A 29 3.860 -5.612 -6.918 1.00 0.00 N ATOM 430 CA GLN A 29 3.193 -4.399 -7.404 1.00 0.00 C ATOM 431 C GLN A 29 2.586 -3.560 -6.266 1.00 0.00 C ATOM 432 O GLN A 29 2.719 -2.334 -6.275 1.00 0.00 O ATOM 433 CB GLN A 29 2.109 -4.790 -8.416 1.00 0.00 C ATOM 434 CG GLN A 29 2.664 -5.359 -9.729 1.00 0.00 C ATOM 435 CD GLN A 29 1.577 -5.941 -10.634 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.492 -6.314 -10.206 1.00 0.00 O ATOM 437 NE2 GLN A 29 1.835 -6.074 -11.920 1.00 0.00 N ATOM 0 H GLN A 29 3.327 -6.463 -7.098 1.00 0.00 H new ATOM 0 HA GLN A 29 3.947 -3.774 -7.883 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.449 -5.529 -7.961 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.500 -3.914 -8.639 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.192 -4.571 -10.266 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.395 -6.135 -9.502 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.733 -5.769 -12.294 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.136 -6.482 -12.541 1.00 0.00 H new ATOM 446 N LEU A 30 1.967 -4.190 -5.252 1.00 0.00 N ATOM 447 CA LEU A 30 1.478 -3.483 -4.058 1.00 0.00 C ATOM 448 C LEU A 30 2.624 -2.885 -3.229 1.00 0.00 C ATOM 449 O LEU A 30 2.469 -1.802 -2.659 1.00 0.00 O ATOM 450 CB LEU A 30 0.529 -4.368 -3.220 1.00 0.00 C ATOM 451 CG LEU A 30 1.119 -5.641 -2.583 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.756 -5.417 -1.201 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.018 -6.694 -2.427 1.00 0.00 C ATOM 0 H LEU A 30 1.793 -5.195 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 30 0.886 -2.636 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.114 -3.753 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.303 -4.666 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 30 1.910 -5.968 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.147 -6.362 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.569 -4.697 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.004 -5.034 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.436 -7.594 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.773 -6.302 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.395 -6.937 -3.406 1.00 0.00 H new ATOM 465 N MET A 31 3.793 -3.534 -3.214 1.00 0.00 N ATOM 466 CA MET A 31 5.009 -2.994 -2.600 1.00 0.00 C ATOM 467 C MET A 31 5.513 -1.754 -3.346 1.00 0.00 C ATOM 468 O MET A 31 5.775 -0.733 -2.717 1.00 0.00 O ATOM 469 CB MET A 31 6.101 -4.072 -2.525 1.00 0.00 C ATOM 470 CG MET A 31 6.029 -4.817 -1.189 1.00 0.00 C ATOM 471 SD MET A 31 7.388 -5.984 -0.898 1.00 0.00 S ATOM 472 CE MET A 31 6.804 -7.408 -1.845 1.00 0.00 C ATOM 0 H MET A 31 3.922 -4.456 -3.631 1.00 0.00 H new ATOM 0 HA MET A 31 4.760 -2.685 -1.585 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.982 -4.777 -3.348 1.00 0.00 H new ATOM 0 HB3 MET A 31 7.083 -3.612 -2.639 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.017 -4.086 -0.381 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.085 -5.360 -1.142 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.376 -8.292 -1.563 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.748 -7.576 -1.635 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.936 -7.216 -2.910 1.00 0.00 H new ATOM 482 N ALA A 32 5.584 -1.803 -4.680 1.00 0.00 N ATOM 483 CA ALA A 32 5.968 -0.656 -5.503 1.00 0.00 C ATOM 484 C ALA A 32 4.997 0.532 -5.352 1.00 0.00 C ATOM 485 O ALA A 32 5.435 1.674 -5.211 1.00 0.00 O ATOM 486 CB ALA A 32 6.067 -1.122 -6.963 1.00 0.00 C ATOM 0 H ALA A 32 5.376 -2.643 -5.220 1.00 0.00 H new ATOM 0 HA ALA A 32 6.935 -0.286 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.353 -0.281 -7.595 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.818 -1.908 -7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.101 -1.508 -7.288 1.00 0.00 H new ATOM 492 N LEU A 33 3.682 0.269 -5.312 1.00 0.00 N ATOM 493 CA LEU A 33 2.647 1.286 -5.102 1.00 0.00 C ATOM 494 C LEU A 33 2.742 1.936 -3.711 1.00 0.00 C ATOM 495 O LEU A 33 2.752 3.162 -3.605 1.00 0.00 O ATOM 496 CB LEU A 33 1.263 0.649 -5.344 1.00 0.00 C ATOM 497 CG LEU A 33 0.067 1.595 -5.106 1.00 0.00 C ATOM 498 CD1 LEU A 33 0.074 2.793 -6.057 1.00 0.00 C ATOM 499 CD2 LEU A 33 -1.236 0.830 -5.305 1.00 0.00 C ATOM 0 H LEU A 33 3.305 -0.672 -5.427 1.00 0.00 H new ATOM 0 HA LEU A 33 2.800 2.095 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.221 0.283 -6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.158 -0.218 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 33 0.152 1.968 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.787 3.428 -5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.990 3.366 -5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.024 2.440 -7.087 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.080 1.499 -5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.278 0.442 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.283 0.002 -4.598 1.00 0.00 H new ATOM 511 N ALA A 34 2.855 1.138 -2.645 1.00 0.00 N ATOM 512 CA ALA A 34 2.980 1.659 -1.281 1.00 0.00 C ATOM 513 C ALA A 34 4.292 2.442 -1.072 1.00 0.00 C ATOM 514 O ALA A 34 4.287 3.470 -0.399 1.00 0.00 O ATOM 515 CB ALA A 34 2.854 0.483 -0.311 1.00 0.00 C ATOM 0 H ALA A 34 2.862 0.120 -2.702 1.00 0.00 H new ATOM 0 HA ALA A 34 2.183 2.378 -1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.944 0.845 0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.883 0.005 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.645 -0.240 -0.511 1.00 0.00 H new ATOM 521 N LEU A 35 5.394 2.024 -1.703 1.00 0.00 N ATOM 522 CA LEU A 35 6.674 2.746 -1.720 1.00 0.00 C ATOM 523 C LEU A 35 6.550 4.101 -2.443 1.00 0.00 C ATOM 524 O LEU A 35 6.998 5.121 -1.917 1.00 0.00 O ATOM 525 CB LEU A 35 7.732 1.822 -2.356 1.00 0.00 C ATOM 526 CG LEU A 35 9.217 2.210 -2.264 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.614 3.464 -3.039 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.661 2.355 -0.810 1.00 0.00 C ATOM 0 H LEU A 35 5.423 1.151 -2.230 1.00 0.00 H new ATOM 0 HA LEU A 35 6.984 2.992 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.621 0.836 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.485 1.718 -3.412 1.00 0.00 H new ATOM 0 HG LEU A 35 9.736 1.380 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.680 3.650 -2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.397 3.321 -4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.048 4.317 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.715 2.630 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.069 3.130 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.516 1.408 -0.289 1.00 0.00 H new ATOM 540 N LYS A 36 5.874 4.139 -3.604 1.00 0.00 N ATOM 541 CA LYS A 36 5.569 5.369 -4.360 1.00 0.00 C ATOM 542 C LYS A 36 4.732 6.353 -3.532 1.00 0.00 C ATOM 543 O LYS A 36 5.097 7.522 -3.418 1.00 0.00 O ATOM 544 CB LYS A 36 4.886 4.986 -5.682 1.00 0.00 C ATOM 545 CG LYS A 36 4.724 6.187 -6.630 1.00 0.00 C ATOM 546 CD LYS A 36 4.059 5.737 -7.939 1.00 0.00 C ATOM 547 CE LYS A 36 3.903 6.881 -8.946 1.00 0.00 C ATOM 548 NZ LYS A 36 5.203 7.281 -9.547 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.516 3.297 -4.054 1.00 0.00 H new ATOM 0 HA LYS A 36 6.498 5.892 -4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.471 4.211 -6.178 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.906 4.559 -5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.120 6.959 -6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.698 6.629 -6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.653 4.941 -8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.078 5.317 -7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.218 6.576 -9.737 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.454 7.741 -8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.049 8.057 -10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.850 7.597 -8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.620 6.468 -10.044 1.00 0.00 H new ATOM 562 N LEU A 37 3.677 5.867 -2.879 1.00 0.00 N ATOM 563 CA LEU A 37 2.866 6.649 -1.935 1.00 0.00 C ATOM 564 C LEU A 37 3.696 7.165 -0.746 1.00 0.00 C ATOM 565 O LEU A 37 3.493 8.301 -0.315 1.00 0.00 O ATOM 566 CB LEU A 37 1.689 5.787 -1.430 1.00 0.00 C ATOM 567 CG LEU A 37 0.339 6.054 -2.122 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.365 5.843 -3.634 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.705 5.117 -1.519 1.00 0.00 C ATOM 0 H LEU A 37 3.354 4.906 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 37 2.486 7.523 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.946 4.736 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.570 5.954 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 37 0.101 7.105 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.622 6.051 -4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.095 6.516 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.640 4.811 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.669 5.291 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.402 4.083 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.790 5.308 -0.449 1.00 0.00 H new ATOM 581 N LYS A 38 4.651 6.370 -0.236 1.00 0.00 N ATOM 582 CA LYS A 38 5.515 6.778 0.881 1.00 0.00 C ATOM 583 C LYS A 38 6.501 7.877 0.484 1.00 0.00 C ATOM 584 O LYS A 38 6.546 8.906 1.159 1.00 0.00 O ATOM 585 CB LYS A 38 6.225 5.567 1.520 1.00 0.00 C ATOM 586 CG LYS A 38 6.929 5.910 2.850 1.00 0.00 C ATOM 587 CD LYS A 38 5.959 6.409 3.939 1.00 0.00 C ATOM 588 CE LYS A 38 6.684 6.678 5.259 1.00 0.00 C ATOM 589 NZ LYS A 38 5.743 7.215 6.278 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.844 5.431 -0.585 1.00 0.00 H new ATOM 0 HA LYS A 38 4.865 7.210 1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.495 4.777 1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.960 5.172 0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.452 5.026 3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.684 6.674 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.469 7.322 3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.176 5.667 4.098 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.136 5.756 5.625 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.495 7.388 5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.281 7.685 7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.102 7.901 5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.187 6.435 6.683 1.00 0.00 H new ATOM 603 N GLN A 39 7.245 7.725 -0.612 1.00 0.00 N ATOM 604 CA GLN A 39 8.215 8.752 -1.027 1.00 0.00 C ATOM 605 C GLN A 39 7.535 10.068 -1.454 1.00 0.00 C ATOM 606 O GLN A 39 8.095 11.140 -1.236 1.00 0.00 O ATOM 607 CB GLN A 39 9.208 8.214 -2.065 1.00 0.00 C ATOM 608 CG GLN A 39 8.633 7.984 -3.465 1.00 0.00 C ATOM 609 CD GLN A 39 9.686 7.404 -4.402 1.00 0.00 C ATOM 610 OE1 GLN A 39 10.731 7.987 -4.667 1.00 0.00 O ATOM 611 NE2 GLN A 39 9.468 6.218 -4.922 1.00 0.00 N ATOM 0 H GLN A 39 7.200 6.912 -1.226 1.00 0.00 H new ATOM 0 HA GLN A 39 8.807 9.007 -0.148 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.041 8.913 -2.143 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.616 7.272 -1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.782 7.306 -3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.262 8.926 -3.868 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.603 5.720 -4.711 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.163 5.795 -5.537 1.00 0.00 H new ATOM 620 N GLN A 40 6.298 10.021 -1.965 1.00 0.00 N ATOM 621 CA GLN A 40 5.491 11.208 -2.277 1.00 0.00 C ATOM 622 C GLN A 40 5.227 12.096 -1.049 1.00 0.00 C ATOM 623 O GLN A 40 5.319 13.318 -1.158 1.00 0.00 O ATOM 624 CB GLN A 40 4.148 10.766 -2.884 1.00 0.00 C ATOM 625 CG GLN A 40 4.255 10.485 -4.391 1.00 0.00 C ATOM 626 CD GLN A 40 3.030 9.765 -4.969 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.119 9.324 -4.280 1.00 0.00 O ATOM 628 NE2 GLN A 40 2.943 9.631 -6.276 1.00 0.00 N ATOM 0 H GLN A 40 5.822 9.144 -2.177 1.00 0.00 H new ATOM 0 HA GLN A 40 6.062 11.806 -2.988 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.798 9.869 -2.373 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.401 11.542 -2.713 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.395 11.428 -4.919 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.143 9.881 -4.578 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.686 9.988 -6.876 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.132 9.170 -6.689 1.00 0.00 H new ATOM 637 N GLN A 41 4.916 11.507 0.110 1.00 0.00 N ATOM 638 CA GLN A 41 4.781 12.250 1.376 1.00 0.00 C ATOM 639 C GLN A 41 6.144 12.566 2.034 1.00 0.00 C ATOM 640 O GLN A 41 6.293 13.639 2.621 1.00 0.00 O ATOM 641 CB GLN A 41 3.801 11.540 2.330 1.00 0.00 C ATOM 642 CG GLN A 41 4.232 10.144 2.817 1.00 0.00 C ATOM 643 CD GLN A 41 3.423 9.610 3.998 1.00 0.00 C ATOM 644 OE1 GLN A 41 3.976 9.135 4.985 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.110 9.664 3.964 1.00 0.00 N ATOM 0 H GLN A 41 4.750 10.505 0.202 1.00 0.00 H new ATOM 0 HA GLN A 41 4.350 13.222 1.138 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.647 12.176 3.201 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.838 11.448 1.828 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.148 9.441 1.988 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.284 10.180 3.100 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.637 10.056 3.150 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.565 9.314 4.752 1.00 0.00 H new ATOM 901 N LYS B 115 14.449 2.567 1.352 1.00 0.00 N ATOM 902 CA LYS B 115 13.443 1.959 0.459 1.00 0.00 C ATOM 903 C LYS B 115 13.487 0.429 0.455 1.00 0.00 C ATOM 904 O LYS B 115 12.439 -0.212 0.408 1.00 0.00 O ATOM 905 CB LYS B 115 13.616 2.513 -0.967 1.00 0.00 C ATOM 906 CG LYS B 115 13.303 4.015 -1.046 1.00 0.00 C ATOM 907 CD LYS B 115 13.528 4.577 -2.449 1.00 0.00 C ATOM 908 CE LYS B 115 12.970 6.005 -2.520 1.00 0.00 C ATOM 909 NZ LYS B 115 13.339 6.687 -3.783 1.00 0.00 N1+ ATOM 0 HA LYS B 115 12.461 2.231 0.846 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.639 2.338 -1.302 1.00 0.00 H new ATOM 0 HB3 LYS B 115 12.961 1.970 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.268 4.185 -0.750 1.00 0.00 H new ATOM 0 HG3 LYS B 115 13.930 4.553 -0.336 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.592 4.578 -2.686 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.037 3.945 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS B 115 11.884 5.974 -2.429 1.00 0.00 H new ATOM 0 HE3 LYS B 115 13.344 6.582 -1.674 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 14.101 7.371 -3.599 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 13.666 5.983 -4.475 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 12.510 7.187 -4.163 1.00 0.00 H new ATOM 923 N ASP B 116 14.679 -0.156 0.565 1.00 0.00 N ATOM 924 CA ASP B 116 14.876 -1.609 0.647 1.00 0.00 C ATOM 925 C ASP B 116 14.293 -2.193 1.955 1.00 0.00 C ATOM 926 O ASP B 116 13.593 -3.206 1.940 1.00 0.00 O ATOM 927 CB ASP B 116 16.383 -1.900 0.526 1.00 0.00 C ATOM 928 CG ASP B 116 16.737 -3.398 0.427 1.00 0.00 C ATOM 929 OD1 ASP B 116 15.909 -4.212 -0.049 1.00 0.00 O ATOM 930 OD2 ASP B 116 17.892 -3.758 0.767 1.00 0.00 O1- ATOM 0 H ASP B 116 15.551 0.372 0.601 1.00 0.00 H new ATOM 0 HA ASP B 116 14.340 -2.094 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.770 -1.389 -0.356 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.893 -1.475 1.390 1.00 0.00 H new ATOM 935 N ASP B 117 14.504 -1.501 3.083 1.00 0.00 N ATOM 936 CA ASP B 117 13.897 -1.846 4.377 1.00 0.00 C ATOM 937 C ASP B 117 12.372 -1.645 4.374 1.00 0.00 C ATOM 938 O ASP B 117 11.643 -2.431 4.988 1.00 0.00 O ATOM 939 CB ASP B 117 14.531 -1.022 5.511 1.00 0.00 C ATOM 940 CG ASP B 117 16.030 -1.277 5.743 1.00 0.00 C ATOM 941 OD1 ASP B 117 16.572 -2.331 5.321 1.00 0.00 O ATOM 942 OD2 ASP B 117 16.678 -0.431 6.412 1.00 0.00 O1- ATOM 0 H ASP B 117 15.106 -0.679 3.124 1.00 0.00 H new ATOM 0 HA ASP B 117 14.093 -2.905 4.547 1.00 0.00 H new ATOM 0 HB2 ASP B 117 14.388 0.037 5.294 1.00 0.00 H new ATOM 0 HB3 ASP B 117 13.995 -1.233 6.436 1.00 0.00 H new ATOM 947 N TYR B 118 11.870 -0.626 3.664 1.00 0.00 N ATOM 948 CA TYR B 118 10.432 -0.387 3.528 1.00 0.00 C ATOM 949 C TYR B 118 9.743 -1.487 2.696 1.00 0.00 C ATOM 950 O TYR B 118 8.728 -2.027 3.123 1.00 0.00 O ATOM 951 CB TYR B 118 10.174 1.025 2.984 1.00 0.00 C ATOM 952 CG TYR B 118 8.811 1.571 3.376 1.00 0.00 C ATOM 953 CD1 TYR B 118 7.776 1.692 2.431 1.00 0.00 C ATOM 954 CD2 TYR B 118 8.583 1.948 4.715 1.00 0.00 C ATOM 955 CE1 TYR B 118 6.510 2.170 2.825 1.00 0.00 C ATOM 956 CE2 TYR B 118 7.317 2.414 5.115 1.00 0.00 C ATOM 957 CZ TYR B 118 6.275 2.514 4.171 1.00 0.00 C ATOM 958 OH TYR B 118 5.045 2.930 4.574 1.00 0.00 O ATOM 0 H TYR B 118 12.450 0.053 3.170 1.00 0.00 H new ATOM 0 HA TYR B 118 9.978 -0.440 4.518 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.949 1.698 3.352 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.255 1.010 1.897 1.00 0.00 H new ATOM 0 HD1 TYR B 118 7.952 1.418 1.401 1.00 0.00 H new ATOM 0 HD2 TYR B 118 9.383 1.879 5.437 1.00 0.00 H new ATOM 0 HE1 TYR B 118 5.720 2.273 2.095 1.00 0.00 H new ATOM 0 HE2 TYR B 118 7.144 2.695 6.143 1.00 0.00 H new ATOM 0 HH TYR B 118 5.064 3.124 5.534 1.00 0.00 H new ATOM 968 N LEU B 119 10.337 -1.927 1.581 1.00 0.00 N ATOM 969 CA LEU B 119 9.890 -3.131 0.865 1.00 0.00 C ATOM 970 C LEU B 119 9.923 -4.380 1.770 1.00 0.00 C ATOM 971 O LEU B 119 8.953 -5.136 1.818 1.00 0.00 O ATOM 972 CB LEU B 119 10.752 -3.329 -0.399 1.00 0.00 C ATOM 973 CG LEU B 119 10.069 -2.824 -1.683 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.724 -1.338 -1.655 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.975 -3.084 -2.890 1.00 0.00 C ATOM 0 H LEU B 119 11.137 -1.463 1.150 1.00 0.00 H new ATOM 0 HA LEU B 119 8.851 -2.991 0.566 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.700 -2.807 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.984 -4.388 -0.511 1.00 0.00 H new ATOM 0 HG LEU B 119 9.132 -3.376 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU B 119 9.246 -1.058 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU B 119 9.043 -1.138 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.636 -0.755 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.487 -2.725 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.921 -2.559 -2.755 1.00 0.00 H new ATOM 0 HD23 LEU B 119 11.164 -4.154 -2.980 1.00 0.00 H new ATOM 987 N SER B 120 11.009 -4.573 2.530 1.00 0.00 N ATOM 988 CA SER B 120 11.169 -5.723 3.427 1.00 0.00 C ATOM 989 C SER B 120 10.055 -5.806 4.486 1.00 0.00 C ATOM 990 O SER B 120 9.482 -6.883 4.682 1.00 0.00 O ATOM 991 CB SER B 120 12.555 -5.673 4.085 1.00 0.00 C ATOM 992 OG SER B 120 12.795 -6.800 4.914 1.00 0.00 O ATOM 0 H SER B 120 11.803 -3.933 2.539 1.00 0.00 H new ATOM 0 HA SER B 120 11.086 -6.629 2.827 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.321 -5.623 3.311 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.641 -4.763 4.678 1.00 0.00 H new ATOM 0 HG SER B 120 13.688 -6.729 5.312 1.00 0.00 H new ATOM 998 N ARG B 121 9.680 -4.682 5.121 1.00 0.00 N ATOM 999 CA ARG B 121 8.594 -4.649 6.122 1.00 0.00 C ATOM 1000 C ARG B 121 7.187 -4.723 5.507 1.00 0.00 C ATOM 1001 O ARG B 121 6.319 -5.382 6.072 1.00 0.00 O ATOM 1002 CB ARG B 121 8.788 -3.456 7.079 1.00 0.00 C ATOM 1003 CG ARG B 121 8.309 -2.090 6.561 1.00 0.00 C ATOM 1004 CD ARG B 121 8.784 -0.931 7.450 1.00 0.00 C ATOM 1005 NE ARG B 121 8.232 -1.016 8.818 1.00 0.00 N ATOM 1006 CZ ARG B 121 8.721 -0.426 9.896 1.00 0.00 C ATOM 1007 NH1 ARG B 121 9.767 0.353 9.859 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 8.156 -0.609 11.061 1.00 0.00 N ATOM 0 H ARG B 121 10.117 -3.775 4.958 1.00 0.00 H new ATOM 0 HA ARG B 121 8.664 -5.561 6.715 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.264 -3.673 8.009 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.848 -3.379 7.321 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.676 -1.940 5.545 1.00 0.00 H new ATOM 0 HG3 ARG B 121 7.220 -2.084 6.511 1.00 0.00 H new ATOM 0 HD2 ARG B 121 9.873 -0.935 7.498 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.488 0.016 6.999 1.00 0.00 H new ATOM 0 HE ARG B 121 7.394 -1.584 8.943 1.00 0.00 H new ATOM 0 HH11 ARG B 121 10.242 0.528 8.973 1.00 0.00 H new ATOM 0 HH12 ARG B 121 10.110 0.788 10.716 1.00 0.00 H new ATOM 0 HH21 ARG B 121 7.335 -1.209 11.141 1.00 0.00 H new ATOM 0 HH22 ARG B 121 8.536 -0.152 11.890 1.00 0.00 H new ATOM 1022 N LEU B 122 6.970 -4.119 4.331 1.00 0.00 N ATOM 1023 CA LEU B 122 5.687 -4.150 3.603 1.00 0.00 C ATOM 1024 C LEU B 122 5.266 -5.570 3.190 1.00 0.00 C ATOM 1025 O LEU B 122 4.081 -5.902 3.265 1.00 0.00 O ATOM 1026 CB LEU B 122 5.776 -3.248 2.359 1.00 0.00 C ATOM 1027 CG LEU B 122 5.236 -1.815 2.528 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.601 -1.092 3.826 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.736 -0.979 1.347 1.00 0.00 C ATOM 0 H LEU B 122 7.692 -3.585 3.847 1.00 0.00 H new ATOM 0 HA LEU B 122 4.922 -3.780 4.286 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.820 -3.188 2.051 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.231 -3.728 1.546 1.00 0.00 H new ATOM 0 HG LEU B 122 4.152 -1.920 2.567 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.162 -0.094 3.823 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.217 -1.655 4.677 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.685 -1.011 3.905 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.367 0.042 1.442 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.826 -0.972 1.342 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.371 -1.411 0.415 1.00 0.00 H new ATOM 1041 N SER B 123 6.220 -6.431 2.813 1.00 0.00 N ATOM 1042 CA SER B 123 5.965 -7.826 2.430 1.00 0.00 C ATOM 1043 C SER B 123 5.318 -8.686 3.534 1.00 0.00 C ATOM 1044 O SER B 123 4.726 -9.727 3.230 1.00 0.00 O ATOM 1045 CB SER B 123 7.276 -8.487 1.963 1.00 0.00 C ATOM 1046 OG SER B 123 8.114 -8.851 3.048 1.00 0.00 O ATOM 0 H SER B 123 7.206 -6.174 2.765 1.00 0.00 H new ATOM 0 HA SER B 123 5.237 -7.781 1.620 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.043 -9.374 1.374 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.812 -7.801 1.307 1.00 0.00 H new ATOM 0 HG SER B 123 8.466 -8.042 3.475 1.00 0.00 H new ATOM 1052 N ARG B 124 5.412 -8.259 4.799 1.00 0.00 N ATOM 1053 CA ARG B 124 4.936 -8.996 5.984 1.00 0.00 C ATOM 1054 C ARG B 124 3.434 -8.836 6.274 1.00 0.00 C ATOM 1055 O ARG B 124 2.867 -9.682 6.966 1.00 0.00 O ATOM 1056 CB ARG B 124 5.763 -8.586 7.219 1.00 0.00 C ATOM 1057 CG ARG B 124 7.292 -8.595 7.038 1.00 0.00 C ATOM 1058 CD ARG B 124 7.878 -9.906 6.489 1.00 0.00 C ATOM 1059 NE ARG B 124 7.684 -11.033 7.420 1.00 0.00 N ATOM 1060 CZ ARG B 124 8.079 -12.278 7.224 1.00 0.00 C ATOM 1061 NH1 ARG B 124 8.686 -12.648 6.130 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 7.871 -13.190 8.136 1.00 0.00 N ATOM 0 H ARG B 124 5.835 -7.362 5.038 1.00 0.00 H new ATOM 0 HA ARG B 124 5.079 -10.053 5.758 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.458 -7.584 7.520 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.510 -9.256 8.040 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.567 -7.783 6.365 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.757 -8.383 8.001 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.408 -10.141 5.534 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.943 -9.774 6.297 1.00 0.00 H new ATOM 0 HE ARG B 124 7.200 -10.833 8.296 1.00 0.00 H new ATOM 0 HH11 ARG B 124 8.869 -11.967 5.393 1.00 0.00 H new ATOM 0 HH12 ARG B 124 8.978 -13.618 6.012 1.00 0.00 H new ATOM 0 HH21 ARG B 124 7.401 -12.943 9.007 1.00 0.00 H new ATOM 0 HH22 ARG B 124 8.179 -14.149 7.977 1.00 0.00 H new ATOM 1076 N LEU B 125 2.791 -7.776 5.770 1.00 0.00 N ATOM 1077 CA LEU B 125 1.380 -7.473 6.041 1.00 0.00 C ATOM 1078 C LEU B 125 0.424 -8.451 5.336 1.00 0.00 C ATOM 1079 O LEU B 125 0.667 -8.884 4.208 1.00 0.00 O ATOM 1080 CB LEU B 125 1.032 -6.018 5.657 1.00 0.00 C ATOM 1081 CG LEU B 125 1.566 -4.866 6.539 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.564 -5.168 8.038 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.961 -4.417 6.128 1.00 0.00 C ATOM 0 H LEU B 125 3.240 -7.097 5.156 1.00 0.00 H new ATOM 0 HA LEU B 125 1.242 -7.594 7.116 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.391 -5.850 4.642 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.054 -5.935 5.628 1.00 0.00 H new ATOM 0 HG LEU B 125 0.855 -4.058 6.365 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.954 -4.308 8.583 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.545 -5.374 8.366 1.00 0.00 H new ATOM 0 HD13 LEU B 125 2.192 -6.037 8.235 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.289 -3.606 6.779 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.653 -5.255 6.215 1.00 0.00 H new ATOM 0 HD23 LEU B 125 2.941 -4.068 5.096 1.00 0.00 H new ATOM 1095 N SER B 126 -0.700 -8.763 5.994 1.00 0.00 N ATOM 1096 CA SER B 126 -1.845 -9.488 5.414 1.00 0.00 C ATOM 1097 C SER B 126 -2.637 -8.628 4.410 1.00 0.00 C ATOM 1098 O SER B 126 -2.443 -7.412 4.325 1.00 0.00 O ATOM 1099 CB SER B 126 -2.748 -10.001 6.547 1.00 0.00 C ATOM 1100 OG SER B 126 -3.742 -10.881 6.053 1.00 0.00 O ATOM 0 H SER B 126 -0.845 -8.512 6.972 1.00 0.00 H new ATOM 0 HA SER B 126 -1.461 -10.336 4.847 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.142 -10.515 7.293 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.222 -9.157 7.048 1.00 0.00 H new ATOM 0 HG SER B 126 -4.301 -11.193 6.795 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.541 -9.247 3.639 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.273 -8.639 2.510 1.00 0.00 C ATOM 1108 C LYS B 127 -5.073 -7.387 2.896 1.00 0.00 C ATOM 1109 O LYS B 127 -5.129 -6.434 2.120 1.00 0.00 O ATOM 1110 CB LYS B 127 -5.207 -9.709 1.899 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.877 -9.309 0.576 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.888 -9.177 -0.601 1.00 0.00 C ATOM 1113 CE LYS B 127 -5.557 -8.603 -1.866 1.00 0.00 C ATOM 1114 NZ LYS B 127 -6.593 -9.497 -2.445 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.795 -10.224 3.787 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.535 -8.301 1.782 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.632 -10.621 1.736 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.985 -9.948 2.625 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -6.634 -10.051 0.322 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -6.395 -8.360 0.713 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -4.060 -8.532 -0.306 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -4.465 -10.155 -0.829 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -6.012 -7.642 -1.623 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -4.791 -8.412 -2.618 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -7.330 -8.923 -2.903 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -6.155 -10.125 -3.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -7.020 -10.069 -1.689 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.663 -7.365 4.091 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.390 -6.208 4.624 1.00 0.00 C ATOM 1130 C ASN B 128 -5.467 -5.165 5.289 1.00 0.00 C ATOM 1131 O ASN B 128 -5.735 -3.966 5.230 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.485 -6.720 5.578 1.00 0.00 C ATOM 1133 CG ASN B 128 -6.964 -7.354 6.862 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -5.981 -8.081 6.882 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -7.594 -7.097 7.984 1.00 0.00 N ATOM 0 H ASN B 128 -5.650 -8.162 4.728 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.851 -5.671 3.795 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -8.139 -5.888 5.839 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -8.096 -7.452 5.049 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -7.262 -7.502 8.859 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -8.415 -6.492 7.981 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.362 -5.611 5.898 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.386 -4.747 6.575 1.00 0.00 C ATOM 1144 C GLN B 129 -2.583 -3.884 5.588 1.00 0.00 C ATOM 1145 O GLN B 129 -2.394 -2.687 5.821 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.432 -5.609 7.411 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.100 -6.303 8.610 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.205 -7.344 9.286 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.207 -7.806 8.745 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.532 -7.775 10.488 1.00 0.00 N ATOM 0 H GLN B 129 -4.116 -6.600 5.935 1.00 0.00 H new ATOM 0 HA GLN B 129 -3.941 -4.066 7.220 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -1.987 -6.368 6.767 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.618 -4.982 7.775 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.386 -5.549 9.344 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -4.018 -6.786 8.275 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.359 -7.403 10.956 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -1.958 -8.480 10.951 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.158 -4.455 4.449 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.474 -3.705 3.386 1.00 0.00 C ATOM 1161 C LEU B 130 -2.386 -2.644 2.752 1.00 0.00 C ATOM 1162 O LEU B 130 -1.913 -1.564 2.396 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.860 -4.675 2.351 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.842 -5.502 1.495 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.289 -4.799 0.207 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -1.186 -6.827 1.102 1.00 0.00 C ATOM 0 H LEU B 130 -2.279 -5.446 4.241 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.650 -3.149 3.833 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.229 -4.096 1.677 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.208 -5.368 2.882 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.727 -5.649 2.115 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.978 -5.444 -0.339 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.789 -3.864 0.458 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.418 -4.589 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.880 -7.411 0.497 1.00 0.00 H new ATOM 0 HD22 LEU B 130 -0.282 -6.629 0.527 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.929 -7.386 2.001 1.00 0.00 H new ATOM 1178 N MET B 131 -3.700 -2.906 2.674 1.00 0.00 N ATOM 1179 CA MET B 131 -4.677 -1.909 2.224 1.00 0.00 C ATOM 1180 C MET B 131 -4.812 -0.767 3.228 1.00 0.00 C ATOM 1181 O MET B 131 -4.743 0.396 2.839 1.00 0.00 O ATOM 1182 CB MET B 131 -6.058 -2.532 2.014 1.00 0.00 C ATOM 1183 CG MET B 131 -6.143 -3.494 0.833 1.00 0.00 C ATOM 1184 SD MET B 131 -7.770 -4.288 0.709 1.00 0.00 S ATOM 1185 CE MET B 131 -7.351 -5.603 -0.455 1.00 0.00 C ATOM 0 H MET B 131 -4.110 -3.807 2.919 1.00 0.00 H new ATOM 0 HA MET B 131 -4.304 -1.521 1.276 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.345 -3.064 2.921 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.785 -1.733 1.869 1.00 0.00 H new ATOM 0 HG2 MET B 131 -5.934 -2.953 -0.090 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.374 -4.260 0.935 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.222 -6.238 -0.616 1.00 0.00 H new ATOM 0 HE2 MET B 131 -7.042 -5.164 -1.404 1.00 0.00 H new ATOM 0 HE3 MET B 131 -6.536 -6.202 -0.049 1.00 0.00 H new ATOM 1195 N ALA B 132 -4.964 -1.077 4.518 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.103 -0.066 5.569 1.00 0.00 C ATOM 1197 C ALA B 132 -3.870 0.857 5.650 1.00 0.00 C ATOM 1198 O ALA B 132 -4.016 2.072 5.796 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.361 -0.786 6.899 1.00 0.00 C ATOM 0 H ALA B 132 -4.994 -2.036 4.863 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.945 0.585 5.335 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.468 -0.050 7.696 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.276 -1.374 6.823 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.523 -1.446 7.124 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.664 0.299 5.491 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.409 1.056 5.433 1.00 0.00 C ATOM 1207 C LEU B 133 -1.347 1.982 4.208 1.00 0.00 C ATOM 1208 O LEU B 133 -1.084 3.178 4.347 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.233 0.062 5.466 1.00 0.00 C ATOM 1210 CG LEU B 133 1.160 0.707 5.341 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.480 1.650 6.505 1.00 0.00 C ATOM 1212 CD2 LEU B 133 2.226 -0.387 5.313 1.00 0.00 C ATOM 0 H LEU B 133 -2.531 -0.708 5.398 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.348 1.714 6.300 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.276 -0.499 6.399 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.360 -0.656 4.656 1.00 0.00 H new ATOM 0 HG LEU B 133 1.158 1.289 4.419 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.473 2.076 6.365 1.00 0.00 H new ATOM 0 HD12 LEU B 133 0.742 2.452 6.537 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.452 1.094 7.442 1.00 0.00 H new ATOM 0 HD21 LEU B 133 3.212 0.068 5.225 1.00 0.00 H new ATOM 0 HD22 LEU B 133 2.176 -0.968 6.234 1.00 0.00 H new ATOM 0 HD23 LEU B 133 2.052 -1.043 4.460 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.616 1.464 3.009 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.609 2.252 1.774 1.00 0.00 C ATOM 1226 C ALA B 134 -2.702 3.342 1.768 1.00 0.00 C ATOM 1227 O ALA B 134 -2.446 4.468 1.354 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.739 1.292 0.590 1.00 0.00 C ATOM 0 H ALA B 134 -1.846 0.481 2.866 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.667 2.794 1.697 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.736 1.860 -0.341 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -0.901 0.595 0.593 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.673 0.736 0.673 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.900 3.047 2.286 1.00 0.00 N ATOM 1235 CA LEU B 135 -5.006 3.997 2.425 1.00 0.00 C ATOM 1236 C LEU B 135 -4.676 5.119 3.423 1.00 0.00 C ATOM 1237 O LEU B 135 -4.927 6.291 3.133 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.272 3.193 2.792 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.642 3.877 2.655 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.905 4.989 3.667 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.855 4.414 1.246 1.00 0.00 C ATOM 0 H LEU B 135 -4.132 2.115 2.629 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.184 4.519 1.485 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.286 2.296 2.173 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.168 2.865 3.826 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.361 3.087 2.870 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.894 5.412 3.493 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.857 4.581 4.677 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -7.152 5.769 3.555 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.833 4.891 1.183 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.079 5.143 1.013 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -7.806 3.592 0.532 1.00 0.00 H new ATOM 1253 N LYS B 136 -4.033 4.793 4.556 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.503 5.763 5.531 1.00 0.00 C ATOM 1255 C LYS B 136 -2.489 6.713 4.876 1.00 0.00 C ATOM 1256 O LYS B 136 -2.656 7.930 4.969 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.919 5.004 6.734 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.384 5.947 7.827 1.00 0.00 C ATOM 1259 CD LYS B 136 -1.806 5.206 9.042 1.00 0.00 C ATOM 1260 CE LYS B 136 -2.876 4.410 9.799 1.00 0.00 C ATOM 1261 NZ LYS B 136 -2.326 3.774 11.027 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.863 3.825 4.827 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.312 6.397 5.894 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.688 4.359 7.160 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.112 4.355 6.393 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.612 6.586 7.399 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.190 6.601 8.159 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -1.018 4.529 8.711 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -1.345 5.926 9.718 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -3.698 5.072 10.070 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -3.288 3.642 9.145 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 -3.079 3.245 11.511 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -1.558 3.123 10.767 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -1.956 4.509 11.663 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.508 6.177 4.142 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.563 6.968 3.340 1.00 0.00 C ATOM 1277 C LEU B 137 -1.277 7.843 2.294 1.00 0.00 C ATOM 1278 O LEU B 137 -0.880 8.995 2.093 1.00 0.00 O ATOM 1279 CB LEU B 137 0.429 6.017 2.637 1.00 0.00 C ATOM 1280 CG LEU B 137 1.788 5.815 3.327 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.713 5.405 4.798 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.546 4.721 2.568 1.00 0.00 C ATOM 0 H LEU B 137 -1.344 5.172 4.086 1.00 0.00 H new ATOM 0 HA LEU B 137 -0.032 7.639 4.015 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -0.048 5.043 2.531 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.610 6.395 1.631 1.00 0.00 H new ATOM 0 HG LEU B 137 2.287 6.784 3.307 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.721 5.287 5.195 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.188 6.175 5.364 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.176 4.460 4.886 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.516 4.557 3.038 1.00 0.00 H new ATOM 0 HD22 LEU B 137 1.970 3.796 2.592 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.692 5.030 1.533 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.329 7.327 1.639 1.00 0.00 N ATOM 1295 CA LYS B 138 -3.067 8.050 0.595 1.00 0.00 C ATOM 1296 C LYS B 138 -3.889 9.217 1.151 1.00 0.00 C ATOM 1297 O LYS B 138 -3.775 10.328 0.638 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.939 7.077 -0.223 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.487 7.698 -1.524 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.372 8.152 -2.475 1.00 0.00 C ATOM 1301 CE LYS B 138 -3.905 8.600 -3.836 1.00 0.00 C ATOM 1302 NZ LYS B 138 -2.797 9.074 -4.702 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.692 6.391 1.821 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.329 8.495 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.351 6.193 -0.470 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.774 6.743 0.392 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.119 6.970 -2.032 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.119 8.551 -1.277 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.821 8.973 -2.017 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.666 7.334 -2.617 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.423 7.772 -4.320 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.635 9.398 -3.702 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.179 9.374 -5.622 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.320 9.878 -4.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -2.114 8.303 -4.846 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.659 9.017 2.220 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.420 10.114 2.829 1.00 0.00 C ATOM 1318 C GLN B 139 -4.499 11.166 3.479 1.00 0.00 C ATOM 1319 O GLN B 139 -4.834 12.345 3.466 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.522 9.595 3.757 1.00 0.00 C ATOM 1321 CG GLN B 139 -6.041 9.009 5.086 1.00 0.00 C ATOM 1322 CD GLN B 139 -7.204 8.422 5.880 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -8.153 9.100 6.259 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -7.188 7.137 6.147 1.00 0.00 N ATOM 0 H GLN B 139 -4.774 8.114 2.681 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.938 10.642 2.028 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -7.210 10.413 3.968 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.089 8.830 3.227 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -5.297 8.235 4.898 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -5.551 9.785 5.673 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -6.405 6.562 5.838 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -7.959 6.714 6.664 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.307 10.788 3.963 1.00 0.00 N ATOM 1334 CA GLN B 140 -2.294 11.743 4.437 1.00 0.00 C ATOM 1335 C GLN B 140 -1.825 12.715 3.341 1.00 0.00 C ATOM 1336 O GLN B 140 -1.798 13.927 3.579 1.00 0.00 O ATOM 1337 CB GLN B 140 -1.104 10.971 5.029 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.381 10.469 6.453 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.369 9.441 6.957 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.537 8.988 6.267 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.471 9.035 8.204 1.00 0.00 N ATOM 0 H GLN B 140 -3.018 9.813 4.037 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.757 12.359 5.208 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.870 10.122 4.387 1.00 0.00 H new ATOM 0 HB3 GLN B 140 -0.225 11.616 5.039 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.387 11.321 7.133 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.378 10.028 6.485 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -1.216 9.397 8.799 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.195 8.358 8.576 1.00 0.00 H new