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 18 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 SER OG : rot 180:sc= 0.511 USER MOD Set 2.2: B 127 LYS NZ :NH3+ 145:sc= 0.514 (180deg=0) USER MOD Set 3.1: A 38 LYS NZ :NH3+ -168:sc= 0.998 (180deg=0) USER MOD Set 3.2: A 41 GLN : amide:sc= 1.52 K(o=3.2,f=-2.4) USER MOD Set 3.3: B 140 GLN : amide:sc= 0.725 K(o=3.2,f=-2.4) USER MOD Set 4.1: A 36 LYS NZ :NH3+ 159:sc= 1.09 (180deg=0) USER MOD Set 4.2: A 40 GLN : amide:sc= 0.77 K(o=1.9,f=-3.3) USER MOD Set 5.1: A 27 LYS NZ :NH3+ -162:sc= 1.13 (180deg=0.879) USER MOD Set 5.2: B 123 SER OG : rot 180:sc= 0.676 USER MOD Set 6.1: A 15 LYS NZ :NH3+ -127:sc= 0.378 (180deg=0) USER MOD Set 6.2: B 139 GLN : amide:sc= 0.229 K(o=0.61,f=-0.0025) USER MOD Single : A 20 SER OG : rot 180:sc= 0.575 USER MOD Single : A 26 SER OG : rot 180:sc=-0.00165 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.554 K(o=0.55,f=-4!) USER MOD Single : A 31 MET CE :methyl 146:sc= -0.0214 (180deg=-0.143) USER MOD Single : A 39 GLN : amide:sc= -0.756 K(o=-0.76,f=0) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 126 SER OG : rot 180:sc= -0.0109 USER MOD Single : B 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 129 GLN : amide:sc= 0.59 K(o=0.59,f=-4.4!) USER MOD Single : B 131 MET CE :methyl 179:sc= -0.765 (180deg=-0.769) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 164 N TRP A 14 -14.269 7.578 -2.315 1.00 0.00 N ATOM 165 CA TRP A 14 -13.187 7.045 -3.158 1.00 0.00 C ATOM 166 C TRP A 14 -12.393 5.916 -2.476 1.00 0.00 C ATOM 167 O TRP A 14 -11.779 5.089 -3.154 1.00 0.00 O ATOM 168 CB TRP A 14 -12.253 8.207 -3.532 1.00 0.00 C ATOM 169 CG TRP A 14 -11.483 8.817 -2.392 1.00 0.00 C ATOM 170 CD1 TRP A 14 -11.908 9.847 -1.620 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.203 8.398 -1.820 1.00 0.00 C ATOM 172 NE1 TRP A 14 -10.977 10.099 -0.632 1.00 0.00 N ATOM 173 CE2 TRP A 14 -9.910 9.235 -0.701 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.276 7.376 -2.107 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.766 9.068 0.096 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.137 7.180 -1.299 1.00 0.00 C ATOM 177 CH2 TRP A 14 -7.876 8.024 -0.203 1.00 0.00 C ATOM 0 HA TRP A 14 -13.634 6.602 -4.048 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.542 7.852 -4.278 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -12.847 8.989 -4.005 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -12.833 10.388 -1.757 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.070 10.838 0.065 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.440 6.733 -2.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.574 9.732 0.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.456 6.372 -1.524 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -6.996 7.869 0.404 1.00 0.00 H new ATOM 188 N LYS A 15 -12.408 5.878 -1.141 1.00 0.00 N ATOM 189 CA LYS A 15 -11.626 4.957 -0.301 1.00 0.00 C ATOM 190 C LYS A 15 -11.995 3.485 -0.516 1.00 0.00 C ATOM 191 O LYS A 15 -11.109 2.633 -0.539 1.00 0.00 O ATOM 192 CB LYS A 15 -11.809 5.362 1.172 1.00 0.00 C ATOM 193 CG LYS A 15 -11.198 6.750 1.451 1.00 0.00 C ATOM 194 CD LYS A 15 -11.453 7.225 2.887 1.00 0.00 C ATOM 195 CE LYS A 15 -10.739 8.566 3.088 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.113 9.214 4.368 1.00 0.00 N1+ ATOM 0 H LYS A 15 -12.987 6.512 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.578 5.041 -0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.871 5.373 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.339 4.619 1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.124 6.714 1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.616 7.475 0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.523 7.335 3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.084 6.489 3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.661 8.409 3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.982 9.233 2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.433 10.186 4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.881 8.676 4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.288 9.235 5.001 1.00 0.00 H new ATOM 210 N ASP A 16 -13.279 3.188 -0.743 1.00 0.00 N ATOM 211 CA ASP A 16 -13.754 1.826 -1.025 1.00 0.00 C ATOM 212 C ASP A 16 -13.246 1.310 -2.385 1.00 0.00 C ATOM 213 O ASP A 16 -12.841 0.149 -2.505 1.00 0.00 O ATOM 214 CB ASP A 16 -15.292 1.771 -0.994 1.00 0.00 C ATOM 215 CG ASP A 16 -15.937 2.083 0.369 1.00 0.00 C ATOM 216 OD1 ASP A 16 -15.239 2.133 1.410 1.00 0.00 O ATOM 217 OD2 ASP A 16 -17.181 2.252 0.410 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.022 3.887 -0.737 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.351 1.179 -0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.679 2.476 -1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.609 0.777 -1.308 1.00 0.00 H new ATOM 222 N ASP A 17 -13.209 2.178 -3.403 1.00 0.00 N ATOM 223 CA ASP A 17 -12.619 1.868 -4.714 1.00 0.00 C ATOM 224 C ASP A 17 -11.090 1.730 -4.634 1.00 0.00 C ATOM 225 O ASP A 17 -10.513 0.897 -5.338 1.00 0.00 O ATOM 226 CB ASP A 17 -13.005 2.945 -5.741 1.00 0.00 C ATOM 227 CG ASP A 17 -14.517 3.062 -6.015 1.00 0.00 C ATOM 228 OD1 ASP A 17 -15.279 2.082 -5.830 1.00 0.00 O ATOM 229 OD2 ASP A 17 -14.957 4.149 -6.462 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.590 3.122 -3.341 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.020 0.907 -5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.637 3.910 -5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.495 2.731 -6.680 1.00 0.00 H new ATOM 234 N TYR A 18 -10.428 2.487 -3.753 1.00 0.00 N ATOM 235 CA TYR A 18 -8.985 2.380 -3.532 1.00 0.00 C ATOM 236 C TYR A 18 -8.603 1.025 -2.907 1.00 0.00 C ATOM 237 O TYR A 18 -7.723 0.331 -3.410 1.00 0.00 O ATOM 238 CB TYR A 18 -8.471 3.573 -2.707 1.00 0.00 C ATOM 239 CG TYR A 18 -7.049 3.963 -3.068 1.00 0.00 C ATOM 240 CD1 TYR A 18 -5.971 3.644 -2.223 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.818 4.627 -4.289 1.00 0.00 C ATOM 242 CE1 TYR A 18 -4.655 3.988 -2.600 1.00 0.00 C ATOM 243 CE2 TYR A 18 -5.503 4.964 -4.675 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.418 4.638 -3.831 1.00 0.00 C ATOM 245 OH TYR A 18 -3.152 4.945 -4.230 1.00 0.00 O ATOM 0 H TYR A 18 -10.881 3.193 -3.172 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.490 2.418 -4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.129 4.428 -2.863 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.517 3.324 -1.647 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.150 3.136 -1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -7.649 4.879 -4.931 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.828 3.754 -1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.327 5.470 -5.613 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.183 5.389 -5.103 1.00 0.00 H new ATOM 255 N LEU A 19 -9.340 0.572 -1.884 1.00 0.00 N ATOM 256 CA LEU A 19 -9.213 -0.787 -1.334 1.00 0.00 C ATOM 257 C LEU A 19 -9.486 -1.867 -2.395 1.00 0.00 C ATOM 258 O LEU A 19 -8.751 -2.857 -2.471 1.00 0.00 O ATOM 259 CB LEU A 19 -10.156 -0.935 -0.120 1.00 0.00 C ATOM 260 CG LEU A 19 -9.446 -0.710 1.225 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.747 0.643 1.351 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.444 -0.826 2.378 1.00 0.00 C ATOM 0 H LEU A 19 -10.044 1.139 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.184 -0.935 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.976 -0.223 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.597 -1.932 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.680 -1.484 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.273 0.718 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.990 0.735 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.480 1.443 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.927 -0.664 3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.226 -0.076 2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.891 -1.820 2.374 1.00 0.00 H new ATOM 274 N SER A 20 -10.494 -1.668 -3.252 1.00 0.00 N ATOM 275 CA SER A 20 -10.820 -2.601 -4.340 1.00 0.00 C ATOM 276 C SER A 20 -9.685 -2.742 -5.364 1.00 0.00 C ATOM 277 O SER A 20 -9.336 -3.871 -5.722 1.00 0.00 O ATOM 278 CB SER A 20 -12.119 -2.178 -5.035 1.00 0.00 C ATOM 279 OG SER A 20 -12.490 -3.124 -6.034 1.00 0.00 O ATOM 0 H SER A 20 -11.108 -0.855 -3.212 1.00 0.00 H new ATOM 0 HA SER A 20 -10.956 -3.582 -3.885 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.918 -2.088 -4.299 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.991 -1.195 -5.488 1.00 0.00 H new ATOM 0 HG SER A 20 -13.322 -2.836 -6.464 1.00 0.00 H new ATOM 285 N ARG A 21 -9.070 -1.637 -5.820 1.00 0.00 N ATOM 286 CA ARG A 21 -7.969 -1.679 -6.805 1.00 0.00 C ATOM 287 C ARG A 21 -6.655 -2.203 -6.220 1.00 0.00 C ATOM 288 O ARG A 21 -5.968 -2.981 -6.882 1.00 0.00 O ATOM 289 CB ARG A 21 -7.816 -0.320 -7.519 1.00 0.00 C ATOM 290 CG ARG A 21 -7.199 0.787 -6.666 1.00 0.00 C ATOM 291 CD ARG A 21 -7.092 2.132 -7.397 1.00 0.00 C ATOM 292 NE ARG A 21 -5.984 2.142 -8.371 1.00 0.00 N ATOM 293 CZ ARG A 21 -4.712 2.414 -8.128 1.00 0.00 C ATOM 294 NH1 ARG A 21 -4.279 2.731 -6.942 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -3.840 2.362 -9.093 1.00 0.00 N ATOM 0 H ARG A 21 -9.318 -0.694 -5.520 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.244 -2.413 -7.563 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.201 -0.460 -8.408 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.798 0.008 -7.860 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.799 0.918 -5.765 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.205 0.476 -6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.030 2.341 -7.912 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.943 2.930 -6.669 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.224 1.915 -9.336 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.929 2.777 -6.157 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.290 2.933 -6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.137 2.112 -10.036 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.859 2.572 -8.906 1.00 0.00 H new ATOM 309 N LEU A 22 -6.335 -1.856 -4.971 1.00 0.00 N ATOM 310 CA LEU A 22 -5.140 -2.342 -4.258 1.00 0.00 C ATOM 311 C LEU A 22 -5.112 -3.879 -4.135 1.00 0.00 C ATOM 312 O LEU A 22 -4.038 -4.483 -4.162 1.00 0.00 O ATOM 313 CB LEU A 22 -5.079 -1.677 -2.870 1.00 0.00 C ATOM 314 CG LEU A 22 -4.240 -0.389 -2.780 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.392 0.610 -3.928 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.609 0.326 -1.478 1.00 0.00 C ATOM 0 H LEU A 22 -6.905 -1.220 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.260 -2.067 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.096 -1.448 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.678 -2.400 -2.159 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.203 -0.721 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.751 1.473 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.104 0.134 -4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.430 0.937 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.027 1.244 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.672 0.569 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.391 -0.325 -0.631 1.00 0.00 H new ATOM 328 N SER A 23 -6.280 -4.526 -4.072 1.00 0.00 N ATOM 329 CA SER A 23 -6.415 -5.987 -4.050 1.00 0.00 C ATOM 330 C SER A 23 -5.938 -6.692 -5.335 1.00 0.00 C ATOM 331 O SER A 23 -5.574 -7.873 -5.294 1.00 0.00 O ATOM 332 CB SER A 23 -7.883 -6.352 -3.790 1.00 0.00 C ATOM 333 OG SER A 23 -8.000 -7.727 -3.456 1.00 0.00 O ATOM 0 H SER A 23 -7.176 -4.040 -4.034 1.00 0.00 H new ATOM 0 HA SER A 23 -5.763 -6.340 -3.251 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.278 -5.740 -2.980 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.481 -6.134 -4.675 1.00 0.00 H new ATOM 0 HG SER A 23 -8.941 -7.945 -3.291 1.00 0.00 H new ATOM 339 N ARG A 24 -5.945 -5.998 -6.485 1.00 0.00 N ATOM 340 CA ARG A 24 -5.736 -6.606 -7.822 1.00 0.00 C ATOM 341 C ARG A 24 -4.262 -6.787 -8.193 1.00 0.00 C ATOM 342 O ARG A 24 -3.928 -7.616 -9.041 1.00 0.00 O ATOM 343 CB ARG A 24 -6.436 -5.752 -8.899 1.00 0.00 C ATOM 344 CG ARG A 24 -7.863 -5.292 -8.553 1.00 0.00 C ATOM 345 CD ARG A 24 -8.785 -6.412 -8.075 1.00 0.00 C ATOM 346 NE ARG A 24 -10.091 -5.872 -7.647 1.00 0.00 N ATOM 347 CZ ARG A 24 -11.297 -6.381 -7.822 1.00 0.00 C ATOM 348 NH1 ARG A 24 -11.505 -7.494 -8.467 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -12.341 -5.772 -7.340 1.00 0.00 N ATOM 0 H ARG A 24 -6.097 -4.990 -6.520 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.171 -7.604 -7.775 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.825 -4.870 -9.093 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.472 -6.325 -9.826 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.808 -4.527 -7.779 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.305 -4.824 -9.433 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.931 -7.135 -8.877 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.318 -6.945 -7.247 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.057 -4.983 -7.147 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.718 -8.010 -8.861 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.455 -7.850 -8.578 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.229 -4.899 -6.825 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.271 -6.168 -7.477 1.00 0.00 H new ATOM 363 N LEU A 25 -3.390 -5.998 -7.567 1.00 0.00 N ATOM 364 CA LEU A 25 -1.935 -5.989 -7.772 1.00 0.00 C ATOM 365 C LEU A 25 -1.250 -7.236 -7.179 1.00 0.00 C ATOM 366 O LEU A 25 -1.669 -7.775 -6.150 1.00 0.00 O ATOM 367 CB LEU A 25 -1.325 -4.700 -7.179 1.00 0.00 C ATOM 368 CG LEU A 25 -1.557 -3.371 -7.933 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.312 -3.460 -9.443 1.00 0.00 C ATOM 370 CD2 LEU A 25 -2.952 -2.790 -7.720 1.00 0.00 C ATOM 0 H LEU A 25 -3.688 -5.315 -6.871 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.756 -6.012 -8.847 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.714 -4.582 -6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.249 -4.850 -7.091 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.812 -2.709 -7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.496 -2.487 -9.899 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.280 -3.758 -9.627 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.986 -4.198 -9.878 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.047 -1.858 -8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.700 -3.501 -8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.107 -2.596 -6.659 1.00 0.00 H new ATOM 382 N SER A 26 -0.156 -7.674 -7.813 1.00 0.00 N ATOM 383 CA SER A 26 0.768 -8.689 -7.280 1.00 0.00 C ATOM 384 C SER A 26 1.542 -8.173 -6.052 1.00 0.00 C ATOM 385 O SER A 26 1.571 -6.965 -5.797 1.00 0.00 O ATOM 386 CB SER A 26 1.714 -9.148 -8.396 1.00 0.00 C ATOM 387 OG SER A 26 2.536 -10.223 -7.969 1.00 0.00 O ATOM 0 H SER A 26 0.120 -7.327 -8.731 1.00 0.00 H new ATOM 0 HA SER A 26 0.188 -9.544 -6.935 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.132 -9.456 -9.265 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.339 -8.313 -8.711 1.00 0.00 H new ATOM 0 HG SER A 26 3.127 -10.495 -8.702 1.00 0.00 H new ATOM 393 N LYS A 27 2.200 -9.066 -5.296 1.00 0.00 N ATOM 394 CA LYS A 27 2.909 -8.742 -4.038 1.00 0.00 C ATOM 395 C LYS A 27 3.985 -7.666 -4.216 1.00 0.00 C ATOM 396 O LYS A 27 4.097 -6.746 -3.408 1.00 0.00 O ATOM 397 CB LYS A 27 3.539 -10.025 -3.459 1.00 0.00 C ATOM 398 CG LYS A 27 3.702 -9.985 -1.927 1.00 0.00 C ATOM 399 CD LYS A 27 2.379 -10.223 -1.177 1.00 0.00 C ATOM 400 CE LYS A 27 2.491 -9.986 0.335 1.00 0.00 C ATOM 401 NZ LYS A 27 3.421 -10.930 1.005 1.00 0.00 N1+ ATOM 0 H LYS A 27 2.258 -10.054 -5.543 1.00 0.00 H new ATOM 0 HA LYS A 27 2.171 -8.335 -3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.919 -10.880 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.515 -10.181 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.427 -10.741 -1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.110 -9.017 -1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.613 -9.564 -1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.047 -11.246 -1.354 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.829 -8.965 0.513 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.503 -10.078 0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.234 -10.934 2.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.279 -11.887 0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.402 -10.631 0.833 1.00 0.00 H new ATOM 415 N ASN A 28 4.751 -7.747 -5.299 1.00 0.00 N ATOM 416 CA ASN A 28 5.765 -6.748 -5.655 1.00 0.00 C ATOM 417 C ASN A 28 5.144 -5.406 -6.103 1.00 0.00 C ATOM 418 O ASN A 28 5.658 -4.335 -5.777 1.00 0.00 O ATOM 419 CB ASN A 28 6.636 -7.370 -6.754 1.00 0.00 C ATOM 420 CG ASN A 28 7.482 -8.530 -6.241 1.00 0.00 C ATOM 421 OD1 ASN A 28 7.074 -9.682 -6.263 1.00 0.00 O ATOM 422 ND2 ASN A 28 8.678 -8.266 -5.760 1.00 0.00 N ATOM 0 H ASN A 28 4.688 -8.516 -5.966 1.00 0.00 H new ATOM 0 HA ASN A 28 6.366 -6.499 -4.781 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.997 -7.721 -7.565 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.290 -6.605 -7.172 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.264 -9.022 -5.406 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.019 -7.305 -5.741 1.00 0.00 H new ATOM 429 N GLN A 29 4.021 -5.451 -6.828 1.00 0.00 N ATOM 430 CA GLN A 29 3.326 -4.285 -7.389 1.00 0.00 C ATOM 431 C GLN A 29 2.588 -3.458 -6.325 1.00 0.00 C ATOM 432 O GLN A 29 2.675 -2.230 -6.339 1.00 0.00 O ATOM 433 CB GLN A 29 2.343 -4.751 -8.470 1.00 0.00 C ATOM 434 CG GLN A 29 3.006 -5.398 -9.697 1.00 0.00 C ATOM 435 CD GLN A 29 1.990 -6.046 -10.641 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.869 -6.382 -10.286 1.00 0.00 O ATOM 437 NE2 GLN A 29 2.353 -6.283 -11.885 1.00 0.00 N ATOM 0 H GLN A 29 3.554 -6.331 -7.049 1.00 0.00 H new ATOM 0 HA GLN A 29 4.084 -3.631 -7.821 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.649 -5.466 -8.028 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.753 -3.896 -8.800 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.571 -4.641 -10.241 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.720 -6.152 -9.365 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.283 -6.012 -12.205 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.704 -6.737 -12.528 1.00 0.00 H new ATOM 446 N LEU A 30 1.913 -4.103 -5.362 1.00 0.00 N ATOM 447 CA LEU A 30 1.282 -3.405 -4.229 1.00 0.00 C ATOM 448 C LEU A 30 2.322 -2.702 -3.341 1.00 0.00 C ATOM 449 O LEU A 30 2.050 -1.622 -2.808 1.00 0.00 O ATOM 450 CB LEU A 30 0.342 -4.346 -3.434 1.00 0.00 C ATOM 451 CG LEU A 30 0.971 -5.568 -2.737 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.541 -5.297 -1.338 1.00 0.00 C ATOM 453 CD2 LEU A 30 -0.076 -6.675 -2.582 1.00 0.00 C ATOM 0 H LEU A 30 1.789 -5.115 -5.345 1.00 0.00 H new ATOM 0 HA LEU A 30 0.651 -2.615 -4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.164 -3.750 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.426 -4.709 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 30 1.802 -5.852 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.961 -6.217 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.322 -4.540 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.745 -4.941 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.375 -7.536 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.908 -6.307 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.441 -6.971 -3.566 1.00 0.00 H new ATOM 465 N MET A 31 3.535 -3.261 -3.223 1.00 0.00 N ATOM 466 CA MET A 31 4.621 -2.622 -2.479 1.00 0.00 C ATOM 467 C MET A 31 5.275 -1.477 -3.253 1.00 0.00 C ATOM 468 O MET A 31 5.605 -0.461 -2.646 1.00 0.00 O ATOM 469 CB MET A 31 5.672 -3.641 -2.037 1.00 0.00 C ATOM 470 CG MET A 31 5.087 -4.612 -1.013 1.00 0.00 C ATOM 471 SD MET A 31 6.303 -5.633 -0.154 1.00 0.00 S ATOM 472 CE MET A 31 6.630 -6.893 -1.415 1.00 0.00 C ATOM 0 H MET A 31 3.786 -4.159 -3.637 1.00 0.00 H new ATOM 0 HA MET A 31 4.164 -2.188 -1.590 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.036 -4.194 -2.903 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.529 -3.123 -1.606 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.525 -4.042 -0.273 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.377 -5.266 -1.519 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.674 -7.201 -1.359 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.987 -7.756 -1.242 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.426 -6.480 -2.403 1.00 0.00 H new ATOM 482 N ALA A 32 5.398 -1.576 -4.583 1.00 0.00 N ATOM 483 CA ALA A 32 5.831 -0.459 -5.427 1.00 0.00 C ATOM 484 C ALA A 32 4.851 0.736 -5.356 1.00 0.00 C ATOM 485 O ALA A 32 5.277 1.893 -5.268 1.00 0.00 O ATOM 486 CB ALA A 32 5.999 -0.967 -6.864 1.00 0.00 C ATOM 0 H ALA A 32 5.200 -2.432 -5.102 1.00 0.00 H new ATOM 0 HA ALA A 32 6.786 -0.085 -5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.321 -0.146 -7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.748 -1.759 -6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.048 -1.357 -7.225 1.00 0.00 H new ATOM 492 N LEU A 33 3.540 0.458 -5.320 1.00 0.00 N ATOM 493 CA LEU A 33 2.488 1.459 -5.110 1.00 0.00 C ATOM 494 C LEU A 33 2.613 2.113 -3.720 1.00 0.00 C ATOM 495 O LEU A 33 2.655 3.339 -3.614 1.00 0.00 O ATOM 496 CB LEU A 33 1.119 0.781 -5.368 1.00 0.00 C ATOM 497 CG LEU A 33 -0.158 1.639 -5.269 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.575 1.955 -3.830 1.00 0.00 C ATOM 499 CD2 LEU A 33 -0.063 2.943 -6.064 1.00 0.00 C ATOM 0 H LEU A 33 3.176 -0.487 -5.438 1.00 0.00 H new ATOM 0 HA LEU A 33 2.590 2.285 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.148 0.345 -6.366 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.020 -0.044 -4.662 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.930 1.012 -5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.481 2.562 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.766 1.025 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.224 2.504 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.991 3.504 -5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.767 3.540 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.103 2.716 -7.117 1.00 0.00 H new ATOM 511 N ALA A 34 2.737 1.323 -2.652 1.00 0.00 N ATOM 512 CA ALA A 34 2.917 1.828 -1.293 1.00 0.00 C ATOM 513 C ALA A 34 4.227 2.626 -1.111 1.00 0.00 C ATOM 514 O ALA A 34 4.241 3.628 -0.397 1.00 0.00 O ATOM 515 CB ALA A 34 2.822 0.645 -0.329 1.00 0.00 C ATOM 0 H ALA A 34 2.715 0.305 -2.709 1.00 0.00 H new ATOM 0 HA ALA A 34 2.127 2.547 -1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.954 0.998 0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.844 0.173 -0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.600 -0.080 -0.566 1.00 0.00 H new ATOM 521 N LEU A 35 5.317 2.236 -1.787 1.00 0.00 N ATOM 522 CA LEU A 35 6.599 2.957 -1.820 1.00 0.00 C ATOM 523 C LEU A 35 6.446 4.324 -2.505 1.00 0.00 C ATOM 524 O LEU A 35 6.853 5.343 -1.939 1.00 0.00 O ATOM 525 CB LEU A 35 7.641 2.044 -2.506 1.00 0.00 C ATOM 526 CG LEU A 35 9.135 2.427 -2.475 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.479 3.767 -3.125 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.675 2.430 -1.049 1.00 0.00 C ATOM 0 H LEU A 35 5.332 1.382 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 35 6.945 3.179 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.550 1.054 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.351 1.949 -3.553 1.00 0.00 H new ATOM 0 HG LEU A 35 9.613 1.653 -3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.552 3.943 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.186 3.748 -4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.944 4.567 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.730 2.704 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.119 3.152 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.562 1.436 -0.615 1.00 0.00 H new ATOM 540 N LYS A 36 5.779 4.382 -3.669 1.00 0.00 N ATOM 541 CA LYS A 36 5.412 5.629 -4.375 1.00 0.00 C ATOM 542 C LYS A 36 4.616 6.585 -3.482 1.00 0.00 C ATOM 543 O LYS A 36 4.950 7.765 -3.393 1.00 0.00 O ATOM 544 CB LYS A 36 4.669 5.273 -5.676 1.00 0.00 C ATOM 545 CG LYS A 36 4.196 6.502 -6.459 1.00 0.00 C ATOM 546 CD LYS A 36 3.686 6.092 -7.850 1.00 0.00 C ATOM 547 CE LYS A 36 2.949 7.228 -8.576 1.00 0.00 C ATOM 548 NZ LYS A 36 3.788 8.441 -8.745 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.470 3.544 -4.161 1.00 0.00 H new ATOM 0 HA LYS A 36 6.321 6.171 -4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.326 4.677 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.807 4.650 -5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.402 7.007 -5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.016 7.213 -6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.529 5.766 -8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.016 5.238 -7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.624 6.877 -9.555 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.050 7.488 -8.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.406 9.022 -9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.783 8.992 -7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.763 8.160 -8.972 1.00 0.00 H new ATOM 562 N LEU A 37 3.614 6.073 -2.763 1.00 0.00 N ATOM 563 CA LEU A 37 2.860 6.825 -1.755 1.00 0.00 C ATOM 564 C LEU A 37 3.750 7.304 -0.595 1.00 0.00 C ATOM 565 O LEU A 37 3.594 8.444 -0.158 1.00 0.00 O ATOM 566 CB LEU A 37 1.707 5.951 -1.222 1.00 0.00 C ATOM 567 CG LEU A 37 0.348 6.186 -1.904 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.373 6.045 -3.421 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.653 5.179 -1.343 1.00 0.00 C ATOM 0 H LEU A 37 3.298 5.109 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 37 2.459 7.718 -2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.980 4.903 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.597 6.133 -0.153 1.00 0.00 H new ATOM 0 HG LEU A 37 0.070 7.219 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.625 6.227 -3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.070 6.770 -3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.692 5.037 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.624 5.330 -1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.304 4.167 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.747 5.321 -0.266 1.00 0.00 H new ATOM 581 N LYS A 38 4.675 6.478 -0.094 1.00 0.00 N ATOM 582 CA LYS A 38 5.543 6.847 1.038 1.00 0.00 C ATOM 583 C LYS A 38 6.524 7.964 0.674 1.00 0.00 C ATOM 584 O LYS A 38 6.601 8.954 1.403 1.00 0.00 O ATOM 585 CB LYS A 38 6.259 5.609 1.614 1.00 0.00 C ATOM 586 CG LYS A 38 6.965 5.872 2.957 1.00 0.00 C ATOM 587 CD LYS A 38 5.987 6.197 4.103 1.00 0.00 C ATOM 588 CE LYS A 38 6.703 6.524 5.414 1.00 0.00 C ATOM 589 NZ LYS A 38 5.732 6.929 6.462 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.845 5.540 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 38 4.902 7.249 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.531 4.808 1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.994 5.256 0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.554 4.996 3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.663 6.701 2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.363 7.043 3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.321 5.348 4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.267 5.654 5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.422 7.326 5.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.244 7.338 7.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.077 7.637 6.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.195 6.096 6.778 1.00 0.00 H new ATOM 603 N GLN A 39 7.213 7.869 -0.467 1.00 0.00 N ATOM 604 CA GLN A 39 8.137 8.930 -0.908 1.00 0.00 C ATOM 605 C GLN A 39 7.406 10.256 -1.198 1.00 0.00 C ATOM 606 O GLN A 39 7.944 11.329 -0.921 1.00 0.00 O ATOM 607 CB GLN A 39 9.006 8.458 -2.090 1.00 0.00 C ATOM 608 CG GLN A 39 8.244 8.234 -3.405 1.00 0.00 C ATOM 609 CD GLN A 39 9.177 7.940 -4.579 1.00 0.00 C ATOM 610 OE1 GLN A 39 9.438 8.784 -5.428 1.00 0.00 O ATOM 611 NE2 GLN A 39 9.716 6.742 -4.678 1.00 0.00 N ATOM 0 H GLN A 39 7.152 7.074 -1.103 1.00 0.00 H new ATOM 0 HA GLN A 39 8.815 9.139 -0.080 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.790 9.195 -2.263 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.500 7.527 -1.810 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.548 7.404 -3.281 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.648 9.118 -3.631 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.508 6.030 -3.978 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.342 6.527 -5.454 1.00 0.00 H new ATOM 620 N GLN A 40 6.155 10.199 -1.671 1.00 0.00 N ATOM 621 CA GLN A 40 5.329 11.381 -1.932 1.00 0.00 C ATOM 622 C GLN A 40 4.974 12.147 -0.646 1.00 0.00 C ATOM 623 O GLN A 40 5.164 13.364 -0.596 1.00 0.00 O ATOM 624 CB GLN A 40 4.074 10.968 -2.712 1.00 0.00 C ATOM 625 CG GLN A 40 4.400 10.816 -4.212 1.00 0.00 C ATOM 626 CD GLN A 40 3.382 10.045 -5.051 1.00 0.00 C ATOM 627 OE1 GLN A 40 3.628 9.751 -6.217 1.00 0.00 O ATOM 628 NE2 GLN A 40 2.220 9.674 -4.553 1.00 0.00 N ATOM 0 H GLN A 40 5.684 9.320 -1.885 1.00 0.00 H new ATOM 0 HA GLN A 40 5.911 12.074 -2.539 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.687 10.027 -2.320 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.292 11.715 -2.577 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.512 11.812 -4.640 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.366 10.319 -4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.983 9.902 -3.587 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.558 9.159 -5.133 1.00 0.00 H new ATOM 637 N GLN A 41 4.537 11.468 0.419 1.00 0.00 N ATOM 638 CA GLN A 41 4.311 12.144 1.706 1.00 0.00 C ATOM 639 C GLN A 41 5.618 12.629 2.375 1.00 0.00 C ATOM 640 O GLN A 41 5.614 13.670 3.036 1.00 0.00 O ATOM 641 CB GLN A 41 3.444 11.288 2.640 1.00 0.00 C ATOM 642 CG GLN A 41 4.087 10.002 3.196 1.00 0.00 C ATOM 643 CD GLN A 41 3.331 9.426 4.394 1.00 0.00 C ATOM 644 OE1 GLN A 41 3.916 8.848 5.299 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.022 9.567 4.454 1.00 0.00 N ATOM 0 H GLN A 41 4.335 10.468 0.420 1.00 0.00 H new ATOM 0 HA GLN A 41 3.750 13.053 1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.138 11.907 3.483 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.537 11.010 2.103 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.129 9.253 2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.115 10.214 3.490 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.526 10.048 3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.505 9.195 5.251 1.00 0.00 H new ATOM 901 N LYS B 115 14.423 1.876 0.758 1.00 0.00 N ATOM 902 CA LYS B 115 13.409 1.263 -0.108 1.00 0.00 C ATOM 903 C LYS B 115 13.426 -0.272 -0.037 1.00 0.00 C ATOM 904 O LYS B 115 12.370 -0.898 -0.066 1.00 0.00 O ATOM 905 CB LYS B 115 13.629 1.721 -1.558 1.00 0.00 C ATOM 906 CG LYS B 115 13.635 3.253 -1.727 1.00 0.00 C ATOM 907 CD LYS B 115 13.831 3.620 -3.200 1.00 0.00 C ATOM 908 CE LYS B 115 13.862 5.139 -3.376 1.00 0.00 C ATOM 909 NZ LYS B 115 14.120 5.524 -4.785 1.00 0.00 N1+ ATOM 0 HA LYS B 115 12.432 1.590 0.247 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.577 1.321 -1.917 1.00 0.00 H new ATOM 0 HB3 LYS B 115 12.846 1.298 -2.187 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.696 3.670 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.433 3.690 -1.126 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.761 3.187 -3.568 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.024 3.196 -3.797 1.00 0.00 H new ATOM 0 HE2 LYS B 115 12.911 5.562 -3.052 1.00 0.00 H new ATOM 0 HE3 LYS B 115 14.635 5.564 -2.736 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 14.134 6.561 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 15.039 5.141 -5.087 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.369 5.140 -5.393 1.00 0.00 H new ATOM 923 N ASP B 116 14.609 -0.872 0.099 1.00 0.00 N ATOM 924 CA ASP B 116 14.780 -2.327 0.225 1.00 0.00 C ATOM 925 C ASP B 116 14.270 -2.847 1.581 1.00 0.00 C ATOM 926 O ASP B 116 13.654 -3.915 1.644 1.00 0.00 O ATOM 927 CB ASP B 116 16.252 -2.721 0.028 1.00 0.00 C ATOM 928 CG ASP B 116 16.842 -2.362 -1.353 1.00 0.00 C ATOM 929 OD1 ASP B 116 16.077 -2.180 -2.332 1.00 0.00 O ATOM 930 OD2 ASP B 116 18.089 -2.300 -1.469 1.00 0.00 O1- ATOM 0 H ASP B 116 15.489 -0.358 0.126 1.00 0.00 H new ATOM 0 HA ASP B 116 14.181 -2.791 -0.558 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.849 -2.235 0.799 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.349 -3.796 0.180 1.00 0.00 H new ATOM 935 N ASP B 117 14.463 -2.082 2.665 1.00 0.00 N ATOM 936 CA ASP B 117 13.858 -2.387 3.971 1.00 0.00 C ATOM 937 C ASP B 117 12.326 -2.230 3.936 1.00 0.00 C ATOM 938 O ASP B 117 11.602 -3.054 4.497 1.00 0.00 O ATOM 939 CB ASP B 117 14.474 -1.492 5.053 1.00 0.00 C ATOM 940 CG ASP B 117 13.903 -1.816 6.441 1.00 0.00 C ATOM 941 OD1 ASP B 117 14.363 -2.796 7.074 1.00 0.00 O ATOM 942 OD2 ASP B 117 12.994 -1.089 6.910 1.00 0.00 O1- ATOM 0 H ASP B 117 15.039 -1.240 2.663 1.00 0.00 H new ATOM 0 HA ASP B 117 14.070 -3.429 4.210 1.00 0.00 H new ATOM 0 HB2 ASP B 117 15.556 -1.624 5.063 1.00 0.00 H new ATOM 0 HB3 ASP B 117 14.282 -0.446 4.814 1.00 0.00 H new ATOM 947 N TYR B 118 11.817 -1.227 3.209 1.00 0.00 N ATOM 948 CA TYR B 118 10.382 -0.984 3.071 1.00 0.00 C ATOM 949 C TYR B 118 9.690 -2.137 2.326 1.00 0.00 C ATOM 950 O TYR B 118 8.720 -2.714 2.823 1.00 0.00 O ATOM 951 CB TYR B 118 10.158 0.377 2.402 1.00 0.00 C ATOM 952 CG TYR B 118 8.799 0.986 2.683 1.00 0.00 C ATOM 953 CD1 TYR B 118 7.809 1.048 1.686 1.00 0.00 C ATOM 954 CD2 TYR B 118 8.534 1.507 3.968 1.00 0.00 C ATOM 955 CE1 TYR B 118 6.562 1.643 1.964 1.00 0.00 C ATOM 956 CE2 TYR B 118 7.276 2.069 4.261 1.00 0.00 C ATOM 957 CZ TYR B 118 6.283 2.130 3.262 1.00 0.00 C ATOM 958 OH TYR B 118 5.058 2.640 3.554 1.00 0.00 O ATOM 0 H TYR B 118 12.395 -0.560 2.699 1.00 0.00 H new ATOM 0 HA TYR B 118 9.922 -0.950 4.058 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.931 1.068 2.739 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.279 0.265 1.325 1.00 0.00 H new ATOM 0 HD1 TYR B 118 8.005 0.639 0.706 1.00 0.00 H new ATOM 0 HD2 TYR B 118 9.299 1.475 4.730 1.00 0.00 H new ATOM 0 HE1 TYR B 118 5.819 1.727 1.185 1.00 0.00 H new ATOM 0 HE2 TYR B 118 7.072 2.453 5.250 1.00 0.00 H new ATOM 0 HH TYR B 118 5.038 2.928 4.491 1.00 0.00 H new ATOM 968 N LEU B 119 10.239 -2.574 1.186 1.00 0.00 N ATOM 969 CA LEU B 119 9.745 -3.741 0.437 1.00 0.00 C ATOM 970 C LEU B 119 9.992 -5.088 1.151 1.00 0.00 C ATOM 971 O LEU B 119 9.323 -6.075 0.844 1.00 0.00 O ATOM 972 CB LEU B 119 10.356 -3.722 -0.976 1.00 0.00 C ATOM 973 CG LEU B 119 9.483 -2.972 -2.002 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.160 -1.521 -1.640 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.172 -2.979 -3.366 1.00 0.00 C ATOM 0 H LEU B 119 11.046 -2.125 0.752 1.00 0.00 H new ATOM 0 HA LEU B 119 8.660 -3.659 0.372 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.340 -3.254 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.505 -4.747 -1.315 1.00 0.00 H new ATOM 0 HG LEU B 119 8.535 -3.510 -2.013 1.00 0.00 H new ATOM 0 HD11 LEU B 119 8.542 -1.080 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.621 -1.494 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.086 -0.954 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU B 119 9.553 -2.448 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.141 -2.486 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU B 119 10.315 -4.008 -3.696 1.00 0.00 H new ATOM 987 N SER B 120 10.908 -5.158 2.121 1.00 0.00 N ATOM 988 CA SER B 120 11.043 -6.326 3.010 1.00 0.00 C ATOM 989 C SER B 120 9.915 -6.390 4.048 1.00 0.00 C ATOM 990 O SER B 120 9.242 -7.418 4.173 1.00 0.00 O ATOM 991 CB SER B 120 12.427 -6.323 3.673 1.00 0.00 C ATOM 992 OG SER B 120 12.621 -7.478 4.473 1.00 0.00 O ATOM 0 H SER B 120 11.576 -4.412 2.315 1.00 0.00 H new ATOM 0 HA SER B 120 10.953 -7.228 2.404 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.200 -6.276 2.905 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.535 -5.430 4.289 1.00 0.00 H new ATOM 0 HG SER B 120 13.512 -7.448 4.880 1.00 0.00 H new ATOM 998 N ARG B 121 9.675 -5.289 4.777 1.00 0.00 N ATOM 999 CA ARG B 121 8.718 -5.226 5.900 1.00 0.00 C ATOM 1000 C ARG B 121 7.248 -5.203 5.472 1.00 0.00 C ATOM 1001 O ARG B 121 6.424 -5.832 6.128 1.00 0.00 O ATOM 1002 CB ARG B 121 9.106 -4.063 6.839 1.00 0.00 C ATOM 1003 CG ARG B 121 8.661 -2.669 6.370 1.00 0.00 C ATOM 1004 CD ARG B 121 9.448 -1.544 7.059 1.00 0.00 C ATOM 1005 NE ARG B 121 9.254 -1.544 8.525 1.00 0.00 N ATOM 1006 CZ ARG B 121 10.183 -1.514 9.465 1.00 0.00 C ATOM 1007 NH1 ARG B 121 11.459 -1.429 9.219 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 9.834 -1.566 10.719 1.00 0.00 N ATOM 0 H ARG B 121 10.147 -4.402 4.602 1.00 0.00 H new ATOM 0 HA ARG B 121 8.796 -6.160 6.456 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.677 -4.252 7.823 1.00 0.00 H new ATOM 0 HB3 ARG B 121 10.189 -4.060 6.959 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.791 -2.592 5.291 1.00 0.00 H new ATOM 0 HG3 ARG B 121 7.597 -2.542 6.572 1.00 0.00 H new ATOM 0 HD2 ARG B 121 10.509 -1.655 6.835 1.00 0.00 H new ATOM 0 HD3 ARG B 121 9.135 -0.582 6.653 1.00 0.00 H new ATOM 0 HE ARG B 121 8.287 -1.570 8.850 1.00 0.00 H new ATOM 0 HH11 ARG B 121 11.791 -1.381 8.256 1.00 0.00 H new ATOM 0 HH12 ARG B 121 12.127 -1.410 9.990 1.00 0.00 H new ATOM 0 HH21 ARG B 121 8.848 -1.630 10.972 1.00 0.00 H new ATOM 0 HH22 ARG B 121 10.547 -1.543 11.448 1.00 0.00 H new ATOM 1022 N LEU B 122 6.911 -4.553 4.352 1.00 0.00 N ATOM 1023 CA LEU B 122 5.539 -4.498 3.816 1.00 0.00 C ATOM 1024 C LEU B 122 4.972 -5.891 3.478 1.00 0.00 C ATOM 1025 O LEU B 122 3.796 -6.153 3.725 1.00 0.00 O ATOM 1026 CB LEU B 122 5.494 -3.608 2.568 1.00 0.00 C ATOM 1027 CG LEU B 122 5.038 -2.164 2.809 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.801 -1.395 3.892 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.155 -1.411 1.483 1.00 0.00 C ATOM 0 H LEU B 122 7.588 -4.044 3.784 1.00 0.00 H new ATOM 0 HA LEU B 122 4.913 -4.075 4.602 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.488 -3.588 2.120 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.825 -4.066 1.839 1.00 0.00 H new ATOM 0 HG LEU B 122 4.015 -2.226 3.181 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.395 -0.387 3.977 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.696 -1.910 4.847 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.856 -1.340 3.624 1.00 0.00 H new ATOM 0 HD21 LEU B 122 4.837 -0.378 1.622 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.191 -1.429 1.144 1.00 0.00 H new ATOM 0 HD23 LEU B 122 4.521 -1.889 0.736 1.00 0.00 H new ATOM 1041 N SER B 123 5.802 -6.800 2.959 1.00 0.00 N ATOM 1042 CA SER B 123 5.400 -8.165 2.590 1.00 0.00 C ATOM 1043 C SER B 123 4.883 -8.992 3.785 1.00 0.00 C ATOM 1044 O SER B 123 4.119 -9.947 3.602 1.00 0.00 O ATOM 1045 CB SER B 123 6.592 -8.878 1.930 1.00 0.00 C ATOM 1046 OG SER B 123 6.181 -10.087 1.311 1.00 0.00 O ATOM 0 H SER B 123 6.788 -6.608 2.780 1.00 0.00 H new ATOM 0 HA SER B 123 4.566 -8.082 1.893 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.048 -8.222 1.188 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.354 -9.090 2.680 1.00 0.00 H new ATOM 0 HG SER B 123 6.955 -10.522 0.897 1.00 0.00 H new ATOM 1052 N ARG B 124 5.257 -8.615 5.019 1.00 0.00 N ATOM 1053 CA ARG B 124 4.858 -9.290 6.268 1.00 0.00 C ATOM 1054 C ARG B 124 3.409 -9.005 6.698 1.00 0.00 C ATOM 1055 O ARG B 124 2.840 -9.784 7.466 1.00 0.00 O ATOM 1056 CB ARG B 124 5.828 -8.905 7.401 1.00 0.00 C ATOM 1057 CG ARG B 124 7.329 -9.061 7.092 1.00 0.00 C ATOM 1058 CD ARG B 124 7.742 -10.463 6.611 1.00 0.00 C ATOM 1059 NE ARG B 124 7.490 -11.503 7.630 1.00 0.00 N ATOM 1060 CZ ARG B 124 8.271 -11.857 8.637 1.00 0.00 C ATOM 1061 NH1 ARG B 124 9.419 -11.279 8.865 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 7.918 -12.813 9.444 1.00 0.00 N ATOM 0 H ARG B 124 5.862 -7.810 5.181 1.00 0.00 H new ATOM 0 HA ARG B 124 4.908 -10.360 6.066 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.640 -7.867 7.675 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.593 -9.513 8.275 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.607 -8.333 6.330 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.898 -8.817 7.989 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.194 -10.709 5.701 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.801 -10.459 6.354 1.00 0.00 H new ATOM 0 HE ARG B 124 6.608 -12.009 7.547 1.00 0.00 H new ATOM 0 HH11 ARG B 124 9.741 -10.527 8.256 1.00 0.00 H new ATOM 0 HH12 ARG B 124 9.994 -11.580 9.652 1.00 0.00 H new ATOM 0 HH21 ARG B 124 7.032 -13.298 9.304 1.00 0.00 H new ATOM 0 HH22 ARG B 124 8.527 -13.078 10.218 1.00 0.00 H new ATOM 1076 N LEU B 125 2.803 -7.914 6.216 1.00 0.00 N ATOM 1077 CA LEU B 125 1.418 -7.523 6.518 1.00 0.00 C ATOM 1078 C LEU B 125 0.400 -8.391 5.753 1.00 0.00 C ATOM 1079 O LEU B 125 0.624 -8.789 4.606 1.00 0.00 O ATOM 1080 CB LEU B 125 1.224 -6.018 6.232 1.00 0.00 C ATOM 1081 CG LEU B 125 1.863 -5.012 7.217 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.458 -5.234 8.675 1.00 0.00 C ATOM 1083 CD2 LEU B 125 3.389 -4.971 7.173 1.00 0.00 C ATOM 0 H LEU B 125 3.273 -7.261 5.589 1.00 0.00 H new ATOM 0 HA LEU B 125 1.232 -7.697 7.578 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.620 -5.812 5.238 1.00 0.00 H new ATOM 0 HB3 LEU B 125 0.153 -5.819 6.196 1.00 0.00 H new ATOM 0 HG LEU B 125 1.466 -4.061 6.862 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.946 -4.490 9.305 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.376 -5.138 8.771 1.00 0.00 H new ATOM 0 HD13 LEU B 125 1.763 -6.232 8.989 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.754 -4.240 7.894 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.787 -5.955 7.421 1.00 0.00 H new ATOM 0 HD23 LEU B 125 3.717 -4.689 6.173 1.00 0.00 H new ATOM 1095 N SER B 126 -0.738 -8.671 6.396 1.00 0.00 N ATOM 1096 CA SER B 126 -1.890 -9.377 5.812 1.00 0.00 C ATOM 1097 C SER B 126 -2.570 -8.573 4.686 1.00 0.00 C ATOM 1098 O SER B 126 -2.354 -7.365 4.550 1.00 0.00 O ATOM 1099 CB SER B 126 -2.882 -9.729 6.928 1.00 0.00 C ATOM 1100 OG SER B 126 -3.954 -10.521 6.443 1.00 0.00 O ATOM 0 H SER B 126 -0.891 -8.405 7.369 1.00 0.00 H new ATOM 0 HA SER B 126 -1.528 -10.293 5.345 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.362 -10.266 7.722 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.276 -8.813 7.368 1.00 0.00 H new ATOM 0 HG SER B 126 -4.566 -10.729 7.179 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.418 -9.229 3.881 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.099 -8.648 2.707 1.00 0.00 C ATOM 1108 C LYS B 127 -4.949 -7.417 3.051 1.00 0.00 C ATOM 1109 O LYS B 127 -4.989 -6.467 2.272 1.00 0.00 O ATOM 1110 CB LYS B 127 -4.926 -9.754 2.014 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.562 -9.350 0.673 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.528 -9.069 -0.436 1.00 0.00 C ATOM 1113 CE LYS B 127 -5.173 -8.587 -1.742 1.00 0.00 C ATOM 1114 NZ LYS B 127 -5.961 -9.634 -2.436 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.659 -10.209 4.031 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.341 -8.277 2.018 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.282 -10.617 1.847 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.717 -10.073 2.692 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -6.231 -10.145 0.343 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -6.174 -8.460 0.823 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -3.822 -8.316 -0.086 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -3.956 -9.976 -0.632 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -5.822 -7.739 -1.525 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -4.392 -8.228 -2.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -6.787 -9.200 -2.896 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -5.368 -10.096 -3.155 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -6.282 -10.342 -1.745 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.598 -7.386 4.220 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.326 -6.208 4.712 1.00 0.00 C ATOM 1130 C ASN B 128 -5.389 -5.130 5.306 1.00 0.00 C ATOM 1131 O ASN B 128 -5.622 -3.934 5.126 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.359 -6.696 5.744 1.00 0.00 C ATOM 1133 CG ASN B 128 -8.252 -5.569 6.245 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -8.938 -4.899 5.484 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -8.274 -5.311 7.533 1.00 0.00 N ATOM 0 H ASN B 128 -5.634 -8.182 4.857 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.826 -5.718 3.876 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -7.977 -7.474 5.296 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -6.840 -7.148 6.589 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -8.860 -4.557 7.892 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -7.705 -5.865 8.174 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.313 -5.538 5.987 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.365 -4.632 6.647 1.00 0.00 C ATOM 1144 C GLN B 129 -2.528 -3.812 5.650 1.00 0.00 C ATOM 1145 O GLN B 129 -2.374 -2.602 5.824 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.446 -5.436 7.580 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.180 -6.071 8.778 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.295 -7.032 9.573 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.313 -7.587 9.091 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.619 -7.288 10.824 1.00 0.00 N ATOM 0 H GLN B 129 -4.072 -6.523 6.097 1.00 0.00 H new ATOM 0 HA GLN B 129 -3.950 -3.916 7.225 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -1.959 -6.224 7.005 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.659 -4.781 7.953 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.537 -5.282 9.439 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -4.058 -6.607 8.418 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.432 -6.836 11.243 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -2.057 -7.938 11.374 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.036 -4.434 4.571 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.349 -3.721 3.481 1.00 0.00 C ATOM 1161 C LEU B 130 -2.250 -2.671 2.795 1.00 0.00 C ATOM 1162 O LEU B 130 -1.751 -1.628 2.373 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.721 -4.722 2.485 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.675 -5.631 1.676 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.213 -4.991 0.386 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -0.944 -6.918 1.289 1.00 0.00 C ATOM 0 H LEU B 130 -2.101 -5.442 4.427 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.533 -3.148 3.923 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.118 -4.155 1.776 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.039 -5.364 3.042 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.528 -5.818 2.328 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.874 -5.694 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.767 -4.086 0.633 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.380 -4.739 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.615 -7.560 0.719 1.00 0.00 H new ATOM 0 HD22 LEU B 130 -0.073 -6.673 0.682 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.623 -7.439 2.191 1.00 0.00 H new ATOM 1178 N MET B 131 -3.573 -2.892 2.733 1.00 0.00 N ATOM 1179 CA MET B 131 -4.520 -1.892 2.222 1.00 0.00 C ATOM 1180 C MET B 131 -4.705 -0.736 3.204 1.00 0.00 C ATOM 1181 O MET B 131 -4.651 0.423 2.794 1.00 0.00 O ATOM 1182 CB MET B 131 -5.899 -2.499 1.934 1.00 0.00 C ATOM 1183 CG MET B 131 -5.902 -3.562 0.839 1.00 0.00 C ATOM 1184 SD MET B 131 -7.532 -4.326 0.648 1.00 0.00 S ATOM 1185 CE MET B 131 -7.067 -5.706 -0.424 1.00 0.00 C ATOM 0 H MET B 131 -4.012 -3.762 3.033 1.00 0.00 H new ATOM 0 HA MET B 131 -4.086 -1.522 1.293 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.288 -2.939 2.852 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.583 -1.699 1.649 1.00 0.00 H new ATOM 0 HG2 MET B 131 -5.599 -3.111 -0.106 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.166 -4.330 1.076 1.00 0.00 H new ATOM 0 HE1 MET B 131 -7.947 -6.311 -0.641 1.00 0.00 H new ATOM 0 HE2 MET B 131 -6.654 -5.320 -1.356 1.00 0.00 H new ATOM 0 HE3 MET B 131 -6.319 -6.320 0.077 1.00 0.00 H new ATOM 1195 N ALA B 132 -4.881 -1.027 4.494 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.053 -0.009 5.528 1.00 0.00 C ATOM 1197 C ALA B 132 -3.833 0.931 5.628 1.00 0.00 C ATOM 1198 O ALA B 132 -3.999 2.148 5.743 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.334 -0.723 6.858 1.00 0.00 C ATOM 0 H ALA B 132 -4.908 -1.982 4.851 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.895 0.633 5.269 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.466 0.017 7.647 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.241 -1.321 6.765 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.495 -1.373 7.107 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.613 0.389 5.499 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.364 1.160 5.445 1.00 0.00 C ATOM 1207 C LEU B 133 -1.329 2.115 4.236 1.00 0.00 C ATOM 1208 O LEU B 133 -1.092 3.309 4.409 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.179 0.171 5.434 1.00 0.00 C ATOM 1210 CG LEU B 133 1.209 0.821 5.286 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.536 1.762 6.449 1.00 0.00 C ATOM 1212 CD2 LEU B 133 2.281 -0.263 5.218 1.00 0.00 C ATOM 0 H LEU B 133 -2.465 -0.618 5.428 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.294 1.797 6.326 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.197 -0.405 6.359 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.322 -0.535 4.616 1.00 0.00 H new ATOM 0 HG LEU B 133 1.192 1.408 4.367 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.525 2.196 6.299 1.00 0.00 H new ATOM 0 HD12 LEU B 133 0.793 2.558 6.493 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.523 1.202 7.384 1.00 0.00 H new ATOM 0 HD21 LEU B 133 3.262 0.201 5.113 1.00 0.00 H new ATOM 0 HD22 LEU B 133 2.256 -0.857 6.132 1.00 0.00 H new ATOM 0 HD23 LEU B 133 2.092 -0.909 4.360 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.607 1.612 3.029 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.621 2.422 1.808 1.00 0.00 C ATOM 1226 C ALA B 134 -2.736 3.487 1.816 1.00 0.00 C ATOM 1227 O ALA B 134 -2.489 4.644 1.477 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.747 1.478 0.608 1.00 0.00 C ATOM 0 H ALA B 134 -1.829 0.629 2.872 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.688 2.982 1.743 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.759 2.060 -0.313 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -0.899 0.793 0.593 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.672 0.908 0.689 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.942 3.142 2.280 1.00 0.00 N ATOM 1235 CA LEU B 135 -5.074 4.063 2.399 1.00 0.00 C ATOM 1236 C LEU B 135 -4.790 5.198 3.401 1.00 0.00 C ATOM 1237 O LEU B 135 -5.061 6.365 3.116 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.314 3.219 2.758 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.706 3.860 2.609 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -8.024 4.956 3.618 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.943 4.392 1.196 1.00 0.00 C ATOM 0 H LEU B 135 -4.161 2.195 2.589 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.254 4.580 1.456 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.294 2.321 2.140 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.207 2.896 3.793 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.389 3.037 2.818 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -9.025 5.344 3.430 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.977 4.546 4.627 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -7.298 5.763 3.520 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.937 4.835 1.136 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.194 5.148 0.961 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -7.868 3.572 0.481 1.00 0.00 H new ATOM 1253 N LYS B 136 -4.161 4.886 4.544 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.678 5.878 5.521 1.00 0.00 C ATOM 1255 C LYS B 136 -2.665 6.851 4.902 1.00 0.00 C ATOM 1256 O LYS B 136 -2.856 8.064 4.997 1.00 0.00 O ATOM 1257 CB LYS B 136 -3.119 5.126 6.742 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.551 6.047 7.831 1.00 0.00 C ATOM 1259 CD LYS B 136 -2.190 5.296 9.122 1.00 0.00 C ATOM 1260 CE LYS B 136 -1.073 4.267 8.911 1.00 0.00 C ATOM 1261 NZ LYS B 136 -0.721 3.584 10.181 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.970 3.923 4.821 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.507 6.507 5.846 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.911 4.514 7.174 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.335 4.445 6.410 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.662 6.549 7.448 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.281 6.823 8.060 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -1.879 6.014 9.881 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -3.077 4.791 9.505 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -1.390 3.529 8.175 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -0.191 4.763 8.506 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 0.037 2.894 10.006 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -0.396 4.287 10.875 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -1.558 3.091 10.554 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.647 6.342 4.207 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.672 7.156 3.469 1.00 0.00 C ATOM 1277 C LEU B 137 -1.343 8.030 2.390 1.00 0.00 C ATOM 1278 O LEU B 137 -0.954 9.188 2.212 1.00 0.00 O ATOM 1279 CB LEU B 137 0.359 6.217 2.805 1.00 0.00 C ATOM 1280 CG LEU B 137 1.682 6.005 3.559 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.540 5.653 5.044 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.444 4.872 2.878 1.00 0.00 C ATOM 0 H LEU B 137 -1.471 5.340 4.138 1.00 0.00 H new ATOM 0 HA LEU B 137 -0.185 7.828 4.176 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -0.110 5.244 2.660 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.590 6.610 1.815 1.00 0.00 H new ATOM 0 HG LEU B 137 2.202 6.962 3.522 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.529 5.524 5.484 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.015 6.457 5.560 1.00 0.00 H new ATOM 0 HD13 LEU B 137 0.974 4.727 5.146 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.387 4.704 3.397 1.00 0.00 H new ATOM 0 HD22 LEU B 137 1.846 3.961 2.909 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.644 5.140 1.840 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.341 7.487 1.677 1.00 0.00 N ATOM 1295 CA LYS B 138 -3.065 8.170 0.594 1.00 0.00 C ATOM 1296 C LYS B 138 -3.912 9.328 1.124 1.00 0.00 C ATOM 1297 O LYS B 138 -3.767 10.451 0.650 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.916 7.141 -0.171 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.548 7.674 -1.464 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.524 8.023 -2.555 1.00 0.00 C ATOM 1301 CE LYS B 138 -4.257 8.315 -3.870 1.00 0.00 C ATOM 1302 NZ LYS B 138 -3.316 8.388 -5.019 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.675 6.537 1.841 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.344 8.611 -0.094 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.292 6.281 -0.414 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.709 6.784 0.486 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.240 6.928 -1.854 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.135 8.563 -1.231 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.937 8.890 -2.253 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.826 7.197 -2.691 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.997 7.537 -4.055 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.799 9.257 -3.783 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.847 8.587 -5.891 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.625 9.147 -4.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -2.817 7.481 -5.117 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.759 9.096 2.129 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.600 10.168 2.680 1.00 0.00 C ATOM 1318 C GLN B 139 -4.765 11.261 3.370 1.00 0.00 C ATOM 1319 O GLN B 139 -5.112 12.438 3.279 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.724 9.603 3.563 1.00 0.00 C ATOM 1321 CG GLN B 139 -6.284 9.083 4.934 1.00 0.00 C ATOM 1322 CD GLN B 139 -7.460 8.448 5.674 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -8.469 9.076 5.962 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -7.382 7.173 5.977 1.00 0.00 N ATOM 0 H GLN B 139 -4.882 8.187 2.576 1.00 0.00 H new ATOM 0 HA GLN B 139 -6.094 10.666 1.846 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -7.472 10.382 3.712 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.212 8.791 3.025 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -5.487 8.350 4.812 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -5.876 9.903 5.525 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -6.544 6.643 5.740 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -8.160 6.713 6.450 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.614 10.918 3.966 1.00 0.00 N ATOM 1334 CA GLN B 140 -2.655 11.888 4.513 1.00 0.00 C ATOM 1335 C GLN B 140 -2.102 12.837 3.436 1.00 0.00 C ATOM 1336 O GLN B 140 -2.087 14.051 3.640 1.00 0.00 O ATOM 1337 CB GLN B 140 -1.497 11.149 5.204 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.878 10.613 6.594 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.865 9.609 7.166 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.140 9.240 6.570 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -1.091 9.132 8.368 1.00 0.00 N ATOM 0 H GLN B 140 -3.320 9.948 4.083 1.00 0.00 H new ATOM 0 HA GLN B 140 -3.191 12.499 5.239 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -1.175 10.319 4.575 1.00 0.00 H new ATOM 0 HB3 GLN B 140 -0.647 11.824 5.300 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.974 11.452 7.284 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.856 10.135 6.534 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -1.921 9.424 8.885 1.00 0.00 H new ATOM 0 HE22 GLN B 140 -0.437 8.470 8.785 1.00 0.00 H new