USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=12 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= 0.646 USER MOD Set 1.2: B 127 LYS NZ :NH3+ 147:sc= 0.638 (180deg=0) USER MOD Set 2.1: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 118 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 27 LYS NZ :NH3+ -160:sc= 0.762 (180deg=0.493) USER MOD Set 3.2: B 123 SER OG : rot 90:sc= 0.735 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.56 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.0122 K(o=0.012,f=-2.5!) USER MOD Single : A 29 GLN : amide:sc= 0.473 K(o=0.47,f=-3.8!) USER MOD Single : A 31 MET CE :methyl 159:sc=-0.00813 (180deg=-0.0349) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc=-0.00105 X(o=-0.001,f=0) USER MOD Single : A 40 GLN : amide:sc= 0.908 K(o=0.91,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.03 K(o=1,f=-0.45) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 126 SER OG : rot 180:sc=-0.00613 USER MOD Single : B 128 ASN : amide:sc= 0.121 K(o=0.12,f=-3!) USER MOD Single : B 129 GLN : amide:sc= 0.59 K(o=0.59,f=-4.1!) USER MOD Single : B 131 MET CE :methyl -175:sc= -0.566 (180deg=-0.601) 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 Single : B 139 GLN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : B 140 GLN : amide:sc= 0.731 K(o=0.73,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 164 N TRP A 14 -14.382 7.414 -2.209 1.00 0.00 N ATOM 165 CA TRP A 14 -13.106 7.065 -2.849 1.00 0.00 C ATOM 166 C TRP A 14 -12.346 5.943 -2.116 1.00 0.00 C ATOM 167 O TRP A 14 -11.631 5.176 -2.756 1.00 0.00 O ATOM 168 CB TRP A 14 -12.238 8.328 -2.974 1.00 0.00 C ATOM 169 CG TRP A 14 -11.545 8.796 -1.722 1.00 0.00 C ATOM 170 CD1 TRP A 14 -12.002 9.747 -0.875 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.265 8.350 -1.160 1.00 0.00 C ATOM 172 NE1 TRP A 14 -11.094 9.931 0.152 1.00 0.00 N ATOM 173 CE2 TRP A 14 -10.000 9.090 0.030 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.287 7.404 -1.551 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.843 8.900 0.802 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.126 7.194 -0.778 1.00 0.00 C ATOM 177 CH2 TRP A 14 -7.901 7.941 0.392 1.00 0.00 C ATOM 0 HA TRP A 14 -13.332 6.670 -3.840 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.480 8.146 -3.736 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -12.868 9.140 -3.339 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -12.934 10.281 -0.984 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.215 10.605 0.908 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.432 6.833 -2.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.679 9.482 1.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.404 6.453 -1.087 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -7.006 7.778 0.974 1.00 0.00 H new ATOM 188 N LYS A 15 -12.512 5.824 -0.792 1.00 0.00 N ATOM 189 CA LYS A 15 -11.776 4.865 0.055 1.00 0.00 C ATOM 190 C LYS A 15 -12.172 3.416 -0.220 1.00 0.00 C ATOM 191 O LYS A 15 -11.312 2.541 -0.271 1.00 0.00 O ATOM 192 CB LYS A 15 -11.996 5.203 1.539 1.00 0.00 C ATOM 193 CG LYS A 15 -11.463 6.602 1.902 1.00 0.00 C ATOM 194 CD LYS A 15 -11.742 6.953 3.365 1.00 0.00 C ATOM 195 CE LYS A 15 -11.183 8.342 3.688 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.695 8.856 4.983 1.00 0.00 N1+ ATOM 0 H LYS A 15 -13.171 6.399 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.719 4.958 -0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.060 5.151 1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.500 4.455 2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.390 6.642 1.717 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.926 7.347 1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.815 6.931 3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.288 6.208 4.019 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.094 8.297 3.720 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.450 9.036 2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.294 9.798 5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.732 8.923 4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.418 8.208 5.748 1.00 0.00 H new ATOM 210 N ASP A 16 -13.460 3.165 -0.466 1.00 0.00 N ATOM 211 CA ASP A 16 -13.978 1.836 -0.836 1.00 0.00 C ATOM 212 C ASP A 16 -13.475 1.389 -2.223 1.00 0.00 C ATOM 213 O ASP A 16 -13.065 0.240 -2.396 1.00 0.00 O ATOM 214 CB ASP A 16 -15.512 1.834 -0.793 1.00 0.00 C ATOM 215 CG ASP A 16 -16.128 2.070 0.601 1.00 0.00 C ATOM 216 OD1 ASP A 16 -15.440 1.914 1.641 1.00 0.00 O ATOM 217 OD2 ASP A 16 -17.342 2.375 0.670 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.183 3.882 -0.415 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.600 1.119 -0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.880 2.604 -1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.869 0.877 -1.174 1.00 0.00 H new ATOM 222 N ASP A 17 -13.435 2.306 -3.192 1.00 0.00 N ATOM 223 CA ASP A 17 -12.841 2.057 -4.511 1.00 0.00 C ATOM 224 C ASP A 17 -11.321 1.849 -4.430 1.00 0.00 C ATOM 225 O ASP A 17 -10.779 1.024 -5.168 1.00 0.00 O ATOM 226 CB ASP A 17 -13.178 3.216 -5.473 1.00 0.00 C ATOM 227 CG ASP A 17 -14.674 3.378 -5.805 1.00 0.00 C ATOM 228 OD1 ASP A 17 -15.477 2.430 -5.619 1.00 0.00 O ATOM 229 OD2 ASP A 17 -15.048 4.464 -6.311 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.815 3.247 -3.085 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.272 1.133 -4.897 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.816 4.147 -5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.630 3.066 -6.403 1.00 0.00 H new ATOM 234 N TYR A 18 -10.633 2.538 -3.513 1.00 0.00 N ATOM 235 CA TYR A 18 -9.193 2.374 -3.304 1.00 0.00 C ATOM 236 C TYR A 18 -8.870 1.003 -2.688 1.00 0.00 C ATOM 237 O TYR A 18 -8.025 0.280 -3.216 1.00 0.00 O ATOM 238 CB TYR A 18 -8.633 3.543 -2.479 1.00 0.00 C ATOM 239 CG TYR A 18 -7.155 3.785 -2.717 1.00 0.00 C ATOM 240 CD1 TYR A 18 -6.739 4.292 -3.966 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.201 3.507 -1.720 1.00 0.00 C ATOM 242 CE1 TYR A 18 -5.373 4.510 -4.230 1.00 0.00 C ATOM 243 CE2 TYR A 18 -4.835 3.729 -1.972 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.419 4.213 -3.234 1.00 0.00 C ATOM 245 OH TYR A 18 -3.098 4.399 -3.496 1.00 0.00 O ATOM 0 H TYR A 18 -11.062 3.226 -2.894 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.695 2.397 -4.273 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.187 4.450 -2.722 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.796 3.344 -1.420 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.474 4.515 -4.726 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.518 3.123 -0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.059 4.901 -5.186 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.104 3.530 -1.202 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.570 4.150 -2.709 1.00 0.00 H new ATOM 255 N LEU A 19 -9.603 0.569 -1.653 1.00 0.00 N ATOM 256 CA LEU A 19 -9.492 -0.787 -1.096 1.00 0.00 C ATOM 257 C LEU A 19 -9.816 -1.866 -2.148 1.00 0.00 C ATOM 258 O LEU A 19 -9.145 -2.900 -2.189 1.00 0.00 O ATOM 259 CB LEU A 19 -10.402 -0.907 0.146 1.00 0.00 C ATOM 260 CG LEU A 19 -9.649 -0.709 1.472 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.927 0.636 1.599 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.593 -0.839 2.667 1.00 0.00 C ATOM 0 H LEU A 19 -10.292 1.151 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.459 -0.958 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.201 -0.168 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.875 -1.889 0.148 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.895 -1.496 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.424 0.689 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.191 0.731 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.652 1.447 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.033 -0.694 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.376 -0.084 2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.044 -1.831 2.668 1.00 0.00 H new ATOM 274 N SER A 20 -10.786 -1.622 -3.037 1.00 0.00 N ATOM 275 CA SER A 20 -11.120 -2.534 -4.138 1.00 0.00 C ATOM 276 C SER A 20 -9.977 -2.683 -5.149 1.00 0.00 C ATOM 277 O SER A 20 -9.628 -3.816 -5.497 1.00 0.00 O ATOM 278 CB SER A 20 -12.408 -2.076 -4.832 1.00 0.00 C ATOM 279 OG SER A 20 -12.785 -2.986 -5.856 1.00 0.00 O ATOM 0 H SER A 20 -11.364 -0.782 -3.013 1.00 0.00 H new ATOM 0 HA SER A 20 -11.279 -3.521 -3.704 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.211 -1.994 -4.099 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.263 -1.083 -5.258 1.00 0.00 H new ATOM 0 HG SER A 20 -13.610 -2.674 -6.283 1.00 0.00 H new ATOM 285 N ARG A 21 -9.355 -1.582 -5.599 1.00 0.00 N ATOM 286 CA ARG A 21 -8.244 -1.642 -6.578 1.00 0.00 C ATOM 287 C ARG A 21 -6.934 -2.178 -5.984 1.00 0.00 C ATOM 288 O ARG A 21 -6.241 -2.939 -6.654 1.00 0.00 O ATOM 289 CB ARG A 21 -8.076 -0.301 -7.318 1.00 0.00 C ATOM 290 CG ARG A 21 -7.304 0.782 -6.544 1.00 0.00 C ATOM 291 CD ARG A 21 -7.267 2.120 -7.291 1.00 0.00 C ATOM 292 NE ARG A 21 -6.489 2.037 -8.543 1.00 0.00 N ATOM 293 CZ ARG A 21 -6.467 2.923 -9.525 1.00 0.00 C ATOM 294 NH1 ARG A 21 -7.143 4.036 -9.477 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -5.756 2.698 -10.589 1.00 0.00 N ATOM 0 H ARG A 21 -9.598 -0.636 -5.304 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.525 -2.383 -7.326 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.562 -0.487 -8.261 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.065 0.086 -7.564 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.767 0.927 -5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.284 0.440 -6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.285 2.436 -7.518 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.833 2.883 -6.645 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.907 1.208 -8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.716 4.250 -8.661 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.099 4.693 -10.256 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.214 1.837 -10.668 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.740 3.382 -11.346 1.00 0.00 H new ATOM 309 N LEU A 22 -6.633 -1.875 -4.717 1.00 0.00 N ATOM 310 CA LEU A 22 -5.471 -2.404 -3.979 1.00 0.00 C ATOM 311 C LEU A 22 -5.465 -3.941 -3.893 1.00 0.00 C ATOM 312 O LEU A 22 -4.395 -4.548 -3.873 1.00 0.00 O ATOM 313 CB LEU A 22 -5.451 -1.778 -2.566 1.00 0.00 C ATOM 314 CG LEU A 22 -4.622 -0.488 -2.403 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.658 0.488 -3.584 1.00 0.00 C ATOM 316 CD2 LEU A 22 -5.117 0.249 -1.155 1.00 0.00 C ATOM 0 H LEU A 22 -7.202 -1.239 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.570 -2.130 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.479 -1.564 -2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.068 -2.522 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.586 -0.818 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.040 1.357 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.275 -0.007 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.685 0.809 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.542 1.166 -1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.172 0.496 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.989 -0.389 -0.281 1.00 0.00 H new ATOM 328 N SER A 23 -6.641 -4.577 -3.894 1.00 0.00 N ATOM 329 CA SER A 23 -6.795 -6.038 -3.878 1.00 0.00 C ATOM 330 C SER A 23 -6.254 -6.742 -5.134 1.00 0.00 C ATOM 331 O SER A 23 -5.880 -7.915 -5.074 1.00 0.00 O ATOM 332 CB SER A 23 -8.285 -6.378 -3.709 1.00 0.00 C ATOM 333 OG SER A 23 -8.450 -7.751 -3.399 1.00 0.00 O ATOM 0 H SER A 23 -7.532 -4.081 -3.906 1.00 0.00 H new ATOM 0 HA SER A 23 -6.199 -6.405 -3.043 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.716 -5.766 -2.916 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.825 -6.139 -4.625 1.00 0.00 H new ATOM 0 HG SER A 23 -9.404 -7.950 -3.293 1.00 0.00 H new ATOM 339 N ARG A 24 -6.208 -6.039 -6.279 1.00 0.00 N ATOM 340 CA ARG A 24 -5.975 -6.633 -7.615 1.00 0.00 C ATOM 341 C ARG A 24 -4.498 -6.836 -7.971 1.00 0.00 C ATOM 342 O ARG A 24 -4.171 -7.669 -8.817 1.00 0.00 O ATOM 343 CB ARG A 24 -6.649 -5.768 -8.701 1.00 0.00 C ATOM 344 CG ARG A 24 -8.065 -5.262 -8.377 1.00 0.00 C ATOM 345 CD ARG A 24 -9.033 -6.352 -7.909 1.00 0.00 C ATOM 346 NE ARG A 24 -10.323 -5.760 -7.508 1.00 0.00 N ATOM 347 CZ ARG A 24 -11.542 -6.163 -7.819 1.00 0.00 C ATOM 348 NH1 ARG A 24 -11.768 -7.198 -8.577 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -12.581 -5.516 -7.372 1.00 0.00 N ATOM 0 H ARG A 24 -6.333 -5.027 -6.307 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.418 -7.628 -7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.012 -4.905 -8.897 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.694 -6.347 -9.623 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.996 -4.497 -7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.478 -4.782 -9.264 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.191 -7.074 -8.710 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.599 -6.896 -7.070 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.267 -4.933 -6.914 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.987 -7.733 -8.956 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.726 -7.474 -8.791 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.455 -4.695 -6.780 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.521 -5.830 -7.614 1.00 0.00 H new ATOM 363 N LEU A 25 -3.622 -6.065 -7.334 1.00 0.00 N ATOM 364 CA LEU A 25 -2.175 -6.040 -7.579 1.00 0.00 C ATOM 365 C LEU A 25 -1.450 -7.283 -7.031 1.00 0.00 C ATOM 366 O LEU A 25 -1.811 -7.832 -5.986 1.00 0.00 O ATOM 367 CB LEU A 25 -1.556 -4.760 -6.973 1.00 0.00 C ATOM 368 CG LEU A 25 -1.825 -3.412 -7.675 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.658 -3.456 -9.196 1.00 0.00 C ATOM 370 CD2 LEU A 25 -3.204 -2.840 -7.368 1.00 0.00 C ATOM 0 H LEU A 25 -3.907 -5.413 -6.603 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.040 -6.045 -8.661 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.908 -4.675 -5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.476 -4.902 -6.929 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.057 -2.761 -7.258 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.865 -2.470 -9.613 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.637 -3.747 -9.442 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.354 -4.182 -9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.330 -1.892 -7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.970 -3.541 -7.698 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.299 -2.677 -6.295 1.00 0.00 H new ATOM 382 N SER A 26 -0.381 -7.684 -7.724 1.00 0.00 N ATOM 383 CA SER A 26 0.628 -8.626 -7.217 1.00 0.00 C ATOM 384 C SER A 26 1.508 -7.979 -6.136 1.00 0.00 C ATOM 385 O SER A 26 1.497 -6.757 -5.954 1.00 0.00 O ATOM 386 CB SER A 26 1.471 -9.152 -8.388 1.00 0.00 C ATOM 387 OG SER A 26 2.302 -10.216 -7.966 1.00 0.00 O ATOM 0 H SER A 26 -0.186 -7.359 -8.671 1.00 0.00 H new ATOM 0 HA SER A 26 0.119 -9.466 -6.745 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.816 -9.491 -9.191 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.082 -8.346 -8.794 1.00 0.00 H new ATOM 0 HG SER A 26 2.830 -10.539 -8.725 1.00 0.00 H new ATOM 393 N LYS A 27 2.261 -8.788 -5.384 1.00 0.00 N ATOM 394 CA LYS A 27 2.950 -8.347 -4.162 1.00 0.00 C ATOM 395 C LYS A 27 4.048 -7.310 -4.412 1.00 0.00 C ATOM 396 O LYS A 27 4.213 -6.380 -3.627 1.00 0.00 O ATOM 397 CB LYS A 27 3.468 -9.565 -3.391 1.00 0.00 C ATOM 398 CG LYS A 27 3.180 -9.396 -1.891 1.00 0.00 C ATOM 399 CD LYS A 27 3.751 -10.568 -1.098 1.00 0.00 C ATOM 400 CE LYS A 27 3.410 -10.394 0.384 1.00 0.00 C ATOM 401 NZ LYS A 27 4.205 -11.308 1.238 1.00 0.00 N1+ ATOM 0 H LYS A 27 2.412 -9.772 -5.605 1.00 0.00 H new ATOM 0 HA LYS A 27 2.216 -7.825 -3.548 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.990 -10.471 -3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.540 -9.680 -3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.616 -8.462 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.104 -9.329 -1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.340 -11.507 -1.469 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.832 -10.619 -1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.597 -9.362 0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.348 -10.583 0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.736 -11.418 2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.282 -12.236 0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.156 -10.912 1.379 1.00 0.00 H new ATOM 415 N ASN A 28 4.769 -7.414 -5.523 1.00 0.00 N ATOM 416 CA ASN A 28 5.738 -6.394 -5.947 1.00 0.00 C ATOM 417 C ASN A 28 5.047 -5.069 -6.343 1.00 0.00 C ATOM 418 O ASN A 28 5.559 -3.995 -6.035 1.00 0.00 O ATOM 419 CB ASN A 28 6.614 -6.959 -7.085 1.00 0.00 C ATOM 420 CG ASN A 28 5.873 -7.242 -8.382 1.00 0.00 C ATOM 421 OD1 ASN A 28 4.759 -7.743 -8.405 1.00 0.00 O ATOM 422 ND2 ASN A 28 6.456 -6.921 -9.517 1.00 0.00 N ATOM 0 H ASN A 28 4.702 -8.207 -6.161 1.00 0.00 H new ATOM 0 HA ASN A 28 6.383 -6.151 -5.103 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.418 -6.253 -7.290 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.080 -7.882 -6.741 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.978 -7.091 -10.402 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.386 -6.502 -9.512 1.00 0.00 H new ATOM 429 N GLN A 29 3.872 -5.141 -6.975 1.00 0.00 N ATOM 430 CA GLN A 29 3.104 -3.980 -7.433 1.00 0.00 C ATOM 431 C GLN A 29 2.440 -3.212 -6.280 1.00 0.00 C ATOM 432 O GLN A 29 2.553 -1.988 -6.227 1.00 0.00 O ATOM 433 CB GLN A 29 2.052 -4.432 -8.459 1.00 0.00 C ATOM 434 CG GLN A 29 2.644 -5.003 -9.761 1.00 0.00 C ATOM 435 CD GLN A 29 1.627 -5.765 -10.614 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.610 -6.274 -10.151 1.00 0.00 O ATOM 437 NE2 GLN A 29 1.874 -5.905 -11.901 1.00 0.00 N ATOM 0 H GLN A 29 3.418 -6.029 -7.187 1.00 0.00 H new ATOM 0 HA GLN A 29 3.804 -3.287 -7.900 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.415 -5.188 -8.000 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.413 -3.584 -8.705 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.060 -4.186 -10.350 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.470 -5.670 -9.513 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.713 -5.491 -12.307 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.226 -6.428 -12.491 1.00 0.00 H new ATOM 446 N LEU A 30 1.790 -3.896 -5.325 1.00 0.00 N ATOM 447 CA LEU A 30 1.202 -3.245 -4.138 1.00 0.00 C ATOM 448 C LEU A 30 2.261 -2.555 -3.259 1.00 0.00 C ATOM 449 O LEU A 30 2.003 -1.483 -2.708 1.00 0.00 O ATOM 450 CB LEU A 30 0.315 -4.226 -3.339 1.00 0.00 C ATOM 451 CG LEU A 30 1.033 -5.402 -2.638 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.530 -5.099 -1.218 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.081 -6.598 -2.531 1.00 0.00 C ATOM 0 H LEU A 30 1.657 -4.907 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 30 0.552 -2.448 -4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.224 -3.657 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.431 -4.639 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 30 1.906 -5.606 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.020 -5.982 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.240 -4.272 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.684 -4.827 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.590 -7.425 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.797 -6.313 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.228 -6.907 -3.529 1.00 0.00 H new ATOM 465 N MET A 31 3.472 -3.120 -3.180 1.00 0.00 N ATOM 466 CA MET A 31 4.583 -2.509 -2.447 1.00 0.00 C ATOM 467 C MET A 31 5.204 -1.330 -3.200 1.00 0.00 C ATOM 468 O MET A 31 5.484 -0.308 -2.576 1.00 0.00 O ATOM 469 CB MET A 31 5.635 -3.560 -2.091 1.00 0.00 C ATOM 470 CG MET A 31 5.089 -4.525 -1.034 1.00 0.00 C ATOM 471 SD MET A 31 6.332 -5.586 -0.259 1.00 0.00 S ATOM 472 CE MET A 31 6.552 -6.829 -1.553 1.00 0.00 C ATOM 0 H MET A 31 3.707 -4.009 -3.621 1.00 0.00 H new ATOM 0 HA MET A 31 4.175 -2.102 -1.522 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.922 -4.114 -2.985 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.534 -3.071 -1.717 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.591 -3.946 -0.257 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.330 -5.156 -1.496 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.513 -7.327 -1.420 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.750 -7.565 -1.491 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.526 -6.346 -2.530 1.00 0.00 H new ATOM 482 N ALA A 32 5.356 -1.411 -4.526 1.00 0.00 N ATOM 483 CA ALA A 32 5.791 -0.280 -5.351 1.00 0.00 C ATOM 484 C ALA A 32 4.805 0.905 -5.277 1.00 0.00 C ATOM 485 O ALA A 32 5.232 2.054 -5.173 1.00 0.00 O ATOM 486 CB ALA A 32 5.988 -0.770 -6.794 1.00 0.00 C ATOM 0 H ALA A 32 5.181 -2.264 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 32 6.738 0.098 -4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.312 0.062 -7.420 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.745 -1.554 -6.812 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.047 -1.166 -7.176 1.00 0.00 H new ATOM 492 N LEU A 33 3.494 0.631 -5.257 1.00 0.00 N ATOM 493 CA LEU A 33 2.422 1.613 -5.044 1.00 0.00 C ATOM 494 C LEU A 33 2.557 2.322 -3.681 1.00 0.00 C ATOM 495 O LEU A 33 2.594 3.555 -3.630 1.00 0.00 O ATOM 496 CB LEU A 33 1.075 0.881 -5.254 1.00 0.00 C ATOM 497 CG LEU A 33 -0.247 1.630 -5.017 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.605 1.781 -3.537 1.00 0.00 C ATOM 499 CD2 LEU A 33 -0.287 2.998 -5.697 1.00 0.00 C ATOM 0 H LEU A 33 3.138 -0.315 -5.394 1.00 0.00 H new ATOM 0 HA LEU A 33 2.486 2.428 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.061 0.514 -6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.075 0.007 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.001 0.993 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.549 2.318 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.703 0.795 -3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.181 2.338 -3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.244 3.478 -5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.520 3.620 -5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.165 2.873 -6.773 1.00 0.00 H new ATOM 511 N ALA A 34 2.699 1.568 -2.590 1.00 0.00 N ATOM 512 CA ALA A 34 2.911 2.136 -1.257 1.00 0.00 C ATOM 513 C ALA A 34 4.226 2.944 -1.159 1.00 0.00 C ATOM 514 O ALA A 34 4.232 4.059 -0.638 1.00 0.00 O ATOM 515 CB ALA A 34 2.853 0.999 -0.229 1.00 0.00 C ATOM 0 H ALA A 34 2.670 0.549 -2.605 1.00 0.00 H new ATOM 0 HA ALA A 34 2.119 2.855 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.009 1.404 0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.877 0.515 -0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.631 0.269 -0.450 1.00 0.00 H new ATOM 521 N LEU A 35 5.326 2.432 -1.722 1.00 0.00 N ATOM 522 CA LEU A 35 6.638 3.092 -1.739 1.00 0.00 C ATOM 523 C LEU A 35 6.606 4.428 -2.515 1.00 0.00 C ATOM 524 O LEU A 35 7.138 5.433 -2.034 1.00 0.00 O ATOM 525 CB LEU A 35 7.651 2.068 -2.306 1.00 0.00 C ATOM 526 CG LEU A 35 9.155 2.345 -2.156 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.672 3.531 -2.968 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.533 2.539 -0.690 1.00 0.00 C ATOM 0 H LEU A 35 5.330 1.526 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 35 6.943 3.381 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.445 1.107 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.442 1.953 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 35 9.637 1.456 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.742 3.649 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.490 3.353 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.153 4.438 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.603 2.733 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.980 3.384 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.287 1.638 -0.128 1.00 0.00 H new ATOM 540 N LYS A 36 5.910 4.475 -3.660 1.00 0.00 N ATOM 541 CA LYS A 36 5.682 5.693 -4.467 1.00 0.00 C ATOM 542 C LYS A 36 4.903 6.781 -3.713 1.00 0.00 C ATOM 543 O LYS A 36 5.247 7.957 -3.816 1.00 0.00 O ATOM 544 CB LYS A 36 4.981 5.288 -5.775 1.00 0.00 C ATOM 545 CG LYS A 36 4.779 6.467 -6.744 1.00 0.00 C ATOM 546 CD LYS A 36 4.253 6.034 -8.117 1.00 0.00 C ATOM 547 CE LYS A 36 2.860 5.388 -8.034 1.00 0.00 C ATOM 548 NZ LYS A 36 2.328 5.067 -9.385 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.476 3.646 -4.066 1.00 0.00 H new ATOM 0 HA LYS A 36 6.648 6.145 -4.690 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.569 4.515 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.011 4.849 -5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.081 7.177 -6.302 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.727 6.990 -6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.210 6.901 -8.776 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.952 5.328 -8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.915 4.477 -7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.174 6.063 -7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.387 4.633 -9.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.253 5.940 -9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.971 4.403 -9.863 1.00 0.00 H new ATOM 562 N LEU A 37 3.905 6.408 -2.913 1.00 0.00 N ATOM 563 CA LEU A 37 3.220 7.323 -1.988 1.00 0.00 C ATOM 564 C LEU A 37 4.136 7.758 -0.830 1.00 0.00 C ATOM 565 O LEU A 37 4.144 8.939 -0.464 1.00 0.00 O ATOM 566 CB LEU A 37 1.963 6.617 -1.439 1.00 0.00 C ATOM 567 CG LEU A 37 0.658 6.796 -2.230 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.788 6.699 -3.752 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.324 5.712 -1.778 1.00 0.00 C ATOM 0 H LEU A 37 3.543 5.455 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 37 2.941 8.226 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.176 5.550 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.793 6.971 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 37 0.323 7.812 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.191 6.840 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.470 7.471 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.177 5.717 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.260 5.818 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.103 4.729 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.515 5.817 -0.710 1.00 0.00 H new ATOM 581 N LYS A 38 4.902 6.823 -0.252 1.00 0.00 N ATOM 582 CA LYS A 38 5.761 7.056 0.918 1.00 0.00 C ATOM 583 C LYS A 38 6.887 8.049 0.625 1.00 0.00 C ATOM 584 O LYS A 38 7.077 8.987 1.394 1.00 0.00 O ATOM 585 CB LYS A 38 6.296 5.710 1.438 1.00 0.00 C ATOM 586 CG LYS A 38 7.015 5.790 2.796 1.00 0.00 C ATOM 587 CD LYS A 38 6.089 6.192 3.951 1.00 0.00 C ATOM 588 CE LYS A 38 6.822 6.034 5.286 1.00 0.00 C ATOM 589 NZ LYS A 38 5.933 6.334 6.435 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.943 5.862 -0.592 1.00 0.00 H new ATOM 0 HA LYS A 38 5.159 7.519 1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.464 5.011 1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.985 5.298 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.463 4.822 3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.830 6.510 2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.763 7.225 3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.193 5.572 3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.202 5.016 5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.685 6.700 5.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.462 6.217 7.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.590 7.313 6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.123 5.682 6.426 1.00 0.00 H new ATOM 603 N GLN A 39 7.585 7.909 -0.508 1.00 0.00 N ATOM 604 CA GLN A 39 8.653 8.850 -0.878 1.00 0.00 C ATOM 605 C GLN A 39 8.112 10.269 -1.143 1.00 0.00 C ATOM 606 O GLN A 39 8.749 11.248 -0.763 1.00 0.00 O ATOM 607 CB GLN A 39 9.481 8.294 -2.052 1.00 0.00 C ATOM 608 CG GLN A 39 8.742 8.222 -3.399 1.00 0.00 C ATOM 609 CD GLN A 39 9.630 7.645 -4.501 1.00 0.00 C ATOM 610 OE1 GLN A 39 10.446 8.327 -5.108 1.00 0.00 O ATOM 611 NE2 GLN A 39 9.521 6.368 -4.792 1.00 0.00 N ATOM 0 H GLN A 39 7.432 7.159 -1.182 1.00 0.00 H new ATOM 0 HA GLN A 39 9.326 8.950 -0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.369 8.915 -2.176 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.825 7.293 -1.791 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.849 7.606 -3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.409 9.220 -3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.846 5.787 -4.295 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.112 5.957 -5.515 1.00 0.00 H new ATOM 620 N GLN A 40 6.910 10.396 -1.722 1.00 0.00 N ATOM 621 CA GLN A 40 6.275 11.696 -1.983 1.00 0.00 C ATOM 622 C GLN A 40 5.911 12.455 -0.698 1.00 0.00 C ATOM 623 O GLN A 40 6.185 13.653 -0.603 1.00 0.00 O ATOM 624 CB GLN A 40 5.017 11.492 -2.847 1.00 0.00 C ATOM 625 CG GLN A 40 5.382 11.337 -4.330 1.00 0.00 C ATOM 626 CD GLN A 40 4.150 11.097 -5.195 1.00 0.00 C ATOM 627 OE1 GLN A 40 3.602 11.990 -5.826 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.658 9.876 -5.256 1.00 0.00 N ATOM 0 H GLN A 40 6.349 9.599 -2.023 1.00 0.00 H new ATOM 0 HA GLN A 40 7.004 12.308 -2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.479 10.607 -2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.345 12.341 -2.722 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.898 12.234 -4.673 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.077 10.505 -4.448 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.103 9.120 -4.736 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.832 9.687 -5.824 1.00 0.00 H new ATOM 637 N GLN A 41 5.328 11.777 0.301 1.00 0.00 N ATOM 638 CA GLN A 41 4.977 12.404 1.588 1.00 0.00 C ATOM 639 C GLN A 41 6.195 12.649 2.506 1.00 0.00 C ATOM 640 O GLN A 41 6.195 13.623 3.258 1.00 0.00 O ATOM 641 CB GLN A 41 3.828 11.636 2.269 1.00 0.00 C ATOM 642 CG GLN A 41 4.186 10.242 2.806 1.00 0.00 C ATOM 643 CD GLN A 41 2.964 9.337 2.929 1.00 0.00 C ATOM 644 OE1 GLN A 41 2.525 8.978 4.013 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.349 8.983 1.823 1.00 0.00 N ATOM 0 H GLN A 41 5.087 10.787 0.243 1.00 0.00 H new ATOM 0 HA GLN A 41 4.609 13.407 1.374 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.453 12.239 3.096 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.012 11.531 1.554 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.915 9.776 2.143 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.661 10.342 3.782 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.714 9.282 0.919 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.507 8.410 1.869 1.00 0.00 H new ATOM 901 N LYS B 115 14.306 2.374 1.457 1.00 0.00 N ATOM 902 CA LYS B 115 13.299 1.851 0.518 1.00 0.00 C ATOM 903 C LYS B 115 13.267 0.321 0.450 1.00 0.00 C ATOM 904 O LYS B 115 12.190 -0.275 0.412 1.00 0.00 O ATOM 905 CB LYS B 115 13.547 2.462 -0.868 1.00 0.00 C ATOM 906 CG LYS B 115 13.295 3.978 -0.880 1.00 0.00 C ATOM 907 CD LYS B 115 13.629 4.588 -2.243 1.00 0.00 C ATOM 908 CE LYS B 115 13.188 6.056 -2.273 1.00 0.00 C ATOM 909 NZ LYS B 115 13.717 6.764 -3.463 1.00 0.00 N1+ ATOM 0 HA LYS B 115 12.316 2.144 0.887 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.574 2.262 -1.174 1.00 0.00 H new ATOM 0 HB3 LYS B 115 12.897 1.980 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.251 4.177 -0.636 1.00 0.00 H new ATOM 0 HG3 LYS B 115 13.899 4.455 -0.108 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.700 4.516 -2.432 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.127 4.031 -3.034 1.00 0.00 H new ATOM 0 HE2 LYS B 115 12.099 6.109 -2.272 1.00 0.00 H new ATOM 0 HE3 LYS B 115 13.532 6.558 -1.369 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 13.398 7.754 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 14.757 6.735 -3.450 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.368 6.300 -4.326 1.00 0.00 H new ATOM 923 N ASP B 116 14.434 -0.325 0.497 1.00 0.00 N ATOM 924 CA ASP B 116 14.554 -1.790 0.525 1.00 0.00 C ATOM 925 C ASP B 116 14.034 -2.379 1.847 1.00 0.00 C ATOM 926 O ASP B 116 13.342 -3.402 1.848 1.00 0.00 O ATOM 927 CB ASP B 116 16.014 -2.218 0.291 1.00 0.00 C ATOM 928 CG ASP B 116 16.594 -1.880 -1.095 1.00 0.00 C ATOM 929 OD1 ASP B 116 17.818 -2.085 -1.279 1.00 0.00 O ATOM 930 OD2 ASP B 116 15.855 -1.462 -2.020 1.00 0.00 O1- ATOM 0 H ASP B 116 15.333 0.156 0.517 1.00 0.00 H new ATOM 0 HA ASP B 116 13.935 -2.183 -0.281 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.638 -1.747 1.051 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.086 -3.295 0.442 1.00 0.00 H new ATOM 935 N ASP B 117 14.292 -1.713 2.976 1.00 0.00 N ATOM 936 CA ASP B 117 13.736 -2.082 4.288 1.00 0.00 C ATOM 937 C ASP B 117 12.214 -1.882 4.354 1.00 0.00 C ATOM 938 O ASP B 117 11.502 -2.671 4.981 1.00 0.00 O ATOM 939 CB ASP B 117 14.437 -1.261 5.387 1.00 0.00 C ATOM 940 CG ASP B 117 14.087 -1.740 6.803 1.00 0.00 C ATOM 941 OD1 ASP B 117 13.891 -0.878 7.694 1.00 0.00 O ATOM 942 OD2 ASP B 117 14.044 -2.970 7.051 1.00 0.00 O1- ATOM 0 H ASP B 117 14.899 -0.894 3.009 1.00 0.00 H new ATOM 0 HA ASP B 117 13.920 -3.145 4.445 1.00 0.00 H new ATOM 0 HB2 ASP B 117 15.516 -1.320 5.245 1.00 0.00 H new ATOM 0 HB3 ASP B 117 14.158 -0.212 5.284 1.00 0.00 H new ATOM 947 N TYR B 118 11.685 -0.864 3.663 1.00 0.00 N ATOM 948 CA TYR B 118 10.246 -0.622 3.575 1.00 0.00 C ATOM 949 C TYR B 118 9.538 -1.734 2.787 1.00 0.00 C ATOM 950 O TYR B 118 8.563 -2.302 3.276 1.00 0.00 O ATOM 951 CB TYR B 118 9.971 0.774 3.003 1.00 0.00 C ATOM 952 CG TYR B 118 8.686 1.392 3.530 1.00 0.00 C ATOM 953 CD1 TYR B 118 7.571 1.597 2.699 1.00 0.00 C ATOM 954 CD2 TYR B 118 8.620 1.747 4.891 1.00 0.00 C ATOM 955 CE1 TYR B 118 6.380 2.133 3.230 1.00 0.00 C ATOM 956 CE2 TYR B 118 7.435 2.277 5.435 1.00 0.00 C ATOM 957 CZ TYR B 118 6.308 2.463 4.605 1.00 0.00 C ATOM 958 OH TYR B 118 5.158 2.963 5.134 1.00 0.00 O ATOM 0 H TYR B 118 12.247 -0.186 3.149 1.00 0.00 H new ATOM 0 HA TYR B 118 9.827 -0.647 4.581 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.808 1.430 3.243 1.00 0.00 H new ATOM 0 HB3 TYR B 118 9.918 0.711 1.916 1.00 0.00 H new ATOM 0 HD1 TYR B 118 7.627 1.343 1.651 1.00 0.00 H new ATOM 0 HD2 TYR B 118 9.486 1.612 5.523 1.00 0.00 H new ATOM 0 HE1 TYR B 118 5.525 2.291 2.590 1.00 0.00 H new ATOM 0 HE2 TYR B 118 7.388 2.540 6.481 1.00 0.00 H new ATOM 0 HH TYR B 118 5.285 3.133 6.091 1.00 0.00 H new ATOM 968 N LEU B 119 10.078 -2.151 1.639 1.00 0.00 N ATOM 969 CA LEU B 119 9.589 -3.336 0.915 1.00 0.00 C ATOM 970 C LEU B 119 9.722 -4.624 1.756 1.00 0.00 C ATOM 971 O LEU B 119 8.805 -5.452 1.759 1.00 0.00 O ATOM 972 CB LEU B 119 10.336 -3.454 -0.425 1.00 0.00 C ATOM 973 CG LEU B 119 9.584 -2.824 -1.613 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.210 -1.354 -1.420 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.433 -2.929 -2.880 1.00 0.00 C ATOM 0 H LEU B 119 10.862 -1.683 1.184 1.00 0.00 H new ATOM 0 HA LEU B 119 8.524 -3.211 0.720 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.311 -2.977 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.516 -4.508 -0.638 1.00 0.00 H new ATOM 0 HG LEU B 119 8.654 -3.387 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU B 119 8.684 -0.993 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.564 -1.254 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.115 -0.765 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU B 119 9.896 -2.482 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.376 -2.402 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU B 119 10.634 -3.978 -3.097 1.00 0.00 H new ATOM 987 N SER B 120 10.812 -4.787 2.516 1.00 0.00 N ATOM 988 CA SER B 120 11.003 -5.941 3.406 1.00 0.00 C ATOM 989 C SER B 120 9.903 -6.042 4.481 1.00 0.00 C ATOM 990 O SER B 120 9.325 -7.119 4.670 1.00 0.00 O ATOM 991 CB SER B 120 12.401 -5.896 4.040 1.00 0.00 C ATOM 992 OG SER B 120 12.628 -7.047 4.842 1.00 0.00 O ATOM 0 H SER B 120 11.587 -4.123 2.532 1.00 0.00 H new ATOM 0 HA SER B 120 10.923 -6.842 2.798 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.158 -5.837 3.258 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.501 -4.997 4.649 1.00 0.00 H new ATOM 0 HG SER B 120 13.524 -7.000 5.236 1.00 0.00 H new ATOM 998 N ARG B 121 9.548 -4.926 5.147 1.00 0.00 N ATOM 999 CA ARG B 121 8.507 -4.899 6.191 1.00 0.00 C ATOM 1000 C ARG B 121 7.071 -4.929 5.646 1.00 0.00 C ATOM 1001 O ARG B 121 6.226 -5.606 6.228 1.00 0.00 O ATOM 1002 CB ARG B 121 8.764 -3.739 7.176 1.00 0.00 C ATOM 1003 CG ARG B 121 8.265 -2.357 6.722 1.00 0.00 C ATOM 1004 CD ARG B 121 8.758 -1.231 7.640 1.00 0.00 C ATOM 1005 NE ARG B 121 8.233 -1.353 9.020 1.00 0.00 N ATOM 1006 CZ ARG B 121 8.707 -0.764 10.107 1.00 0.00 C ATOM 1007 NH1 ARG B 121 9.740 0.028 10.078 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 8.140 -0.958 11.263 1.00 0.00 N ATOM 0 H ARG B 121 9.976 -4.016 4.975 1.00 0.00 H new ATOM 0 HA ARG B 121 8.588 -5.833 6.747 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.290 -3.982 8.127 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.836 -3.675 7.362 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.604 -2.167 5.703 1.00 0.00 H new ATOM 0 HG3 ARG B 121 7.175 -2.355 6.701 1.00 0.00 H new ATOM 0 HD2 ARG B 121 9.848 -1.240 7.667 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.457 -0.269 7.224 1.00 0.00 H new ATOM 0 HE ARG B 121 7.419 -1.955 9.146 1.00 0.00 H new ATOM 0 HH11 ARG B 121 10.215 0.214 9.195 1.00 0.00 H new ATOM 0 HH12 ARG B 121 10.074 0.462 10.938 1.00 0.00 H new ATOM 0 HH21 ARG B 121 7.325 -1.567 11.336 1.00 0.00 H new ATOM 0 HH22 ARG B 121 8.511 -0.501 12.096 1.00 0.00 H new ATOM 1022 N LEU B 122 6.792 -4.277 4.511 1.00 0.00 N ATOM 1023 CA LEU B 122 5.461 -4.267 3.873 1.00 0.00 C ATOM 1024 C LEU B 122 4.985 -5.675 3.474 1.00 0.00 C ATOM 1025 O LEU B 122 3.812 -6.004 3.654 1.00 0.00 O ATOM 1026 CB LEU B 122 5.472 -3.339 2.642 1.00 0.00 C ATOM 1027 CG LEU B 122 4.976 -1.896 2.857 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.508 -1.176 4.100 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.347 -1.067 1.628 1.00 0.00 C ATOM 0 H LEU B 122 7.489 -3.734 4.001 1.00 0.00 H new ATOM 0 HA LEU B 122 4.753 -3.890 4.611 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.491 -3.295 2.259 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.859 -3.797 1.865 1.00 0.00 H new ATOM 0 HG LEU B 122 3.901 -1.986 3.013 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.090 -0.170 4.145 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.218 -1.729 4.993 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.595 -1.115 4.048 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.003 -0.042 1.763 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.429 -1.073 1.499 1.00 0.00 H new ATOM 0 HD23 LEU B 122 4.874 -1.495 0.744 1.00 0.00 H new ATOM 1041 N SER B 123 5.898 -6.533 3.009 1.00 0.00 N ATOM 1042 CA SER B 123 5.626 -7.941 2.672 1.00 0.00 C ATOM 1043 C SER B 123 5.065 -8.770 3.846 1.00 0.00 C ATOM 1044 O SER B 123 4.394 -9.782 3.622 1.00 0.00 O ATOM 1045 CB SER B 123 6.927 -8.563 2.136 1.00 0.00 C ATOM 1046 OG SER B 123 6.721 -9.870 1.635 1.00 0.00 O ATOM 0 H SER B 123 6.870 -6.266 2.852 1.00 0.00 H new ATOM 0 HA SER B 123 4.841 -7.958 1.916 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.332 -7.931 1.346 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.670 -8.593 2.933 1.00 0.00 H new ATOM 0 HG SER B 123 6.494 -9.823 0.683 1.00 0.00 H new ATOM 1052 N ARG B 124 5.297 -8.353 5.099 1.00 0.00 N ATOM 1053 CA ARG B 124 4.839 -9.054 6.316 1.00 0.00 C ATOM 1054 C ARG B 124 3.353 -8.849 6.636 1.00 0.00 C ATOM 1055 O ARG B 124 2.790 -9.654 7.384 1.00 0.00 O ATOM 1056 CB ARG B 124 5.708 -8.640 7.522 1.00 0.00 C ATOM 1057 CG ARG B 124 7.229 -8.788 7.324 1.00 0.00 C ATOM 1058 CD ARG B 124 7.686 -10.155 6.789 1.00 0.00 C ATOM 1059 NE ARG B 124 7.297 -11.272 7.678 1.00 0.00 N ATOM 1060 CZ ARG B 124 7.322 -12.560 7.378 1.00 0.00 C ATOM 1061 NH1 ARG B 124 7.732 -13.004 6.224 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 6.933 -13.441 8.255 1.00 0.00 N ATOM 0 H ARG B 124 5.819 -7.501 5.303 1.00 0.00 H new ATOM 0 HA ARG B 124 4.955 -10.119 6.114 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.490 -7.600 7.765 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.411 -9.238 8.384 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.567 -8.014 6.635 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.724 -8.604 8.278 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.257 -10.316 5.800 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.769 -10.151 6.670 1.00 0.00 H new ATOM 0 HE ARG B 124 6.978 -11.024 8.615 1.00 0.00 H new ATOM 0 HH11 ARG B 124 8.051 -12.349 5.510 1.00 0.00 H new ATOM 0 HH12 ARG B 124 7.735 -14.006 6.035 1.00 0.00 H new ATOM 0 HH21 ARG B 124 6.609 -13.138 9.173 1.00 0.00 H new ATOM 0 HH22 ARG B 124 6.952 -14.434 8.023 1.00 0.00 H new ATOM 1076 N LEU B 125 2.703 -7.810 6.095 1.00 0.00 N ATOM 1077 CA LEU B 125 1.278 -7.533 6.336 1.00 0.00 C ATOM 1078 C LEU B 125 0.342 -8.514 5.602 1.00 0.00 C ATOM 1079 O LEU B 125 0.609 -8.933 4.471 1.00 0.00 O ATOM 1080 CB LEU B 125 0.920 -6.077 5.964 1.00 0.00 C ATOM 1081 CG LEU B 125 1.421 -4.934 6.877 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.385 -5.264 8.373 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.823 -4.463 6.511 1.00 0.00 C ATOM 0 H LEU B 125 3.151 -7.135 5.476 1.00 0.00 H new ATOM 0 HA LEU B 125 1.121 -7.676 7.405 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.300 -5.889 4.960 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.166 -6.007 5.912 1.00 0.00 H new ATOM 0 HG LEU B 125 0.708 -4.130 6.696 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.752 -4.410 8.943 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.361 -5.486 8.672 1.00 0.00 H new ATOM 0 HD13 LEU B 125 2.016 -6.130 8.570 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.124 -3.660 7.184 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.522 -5.295 6.603 1.00 0.00 H new ATOM 0 HD23 LEU B 125 2.827 -4.097 5.484 1.00 0.00 H new ATOM 1095 N SER B 126 -0.780 -8.843 6.248 1.00 0.00 N ATOM 1096 CA SER B 126 -1.900 -9.601 5.662 1.00 0.00 C ATOM 1097 C SER B 126 -2.684 -8.779 4.619 1.00 0.00 C ATOM 1098 O SER B 126 -2.504 -7.562 4.507 1.00 0.00 O ATOM 1099 CB SER B 126 -2.819 -10.095 6.787 1.00 0.00 C ATOM 1100 OG SER B 126 -3.788 -11.007 6.289 1.00 0.00 O ATOM 0 H SER B 126 -0.943 -8.584 7.221 1.00 0.00 H new ATOM 0 HA SER B 126 -1.490 -10.457 5.126 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.224 -10.578 7.562 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.319 -9.246 7.252 1.00 0.00 H new ATOM 0 HG SER B 126 -4.361 -11.309 7.024 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.576 -9.422 3.853 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.311 -8.829 2.719 1.00 0.00 C ATOM 1108 C LYS B 127 -5.130 -7.585 3.085 1.00 0.00 C ATOM 1109 O LYS B 127 -5.178 -6.633 2.309 1.00 0.00 O ATOM 1110 CB LYS B 127 -5.217 -9.908 2.094 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.889 -9.513 0.759 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.891 -9.307 -0.396 1.00 0.00 C ATOM 1113 CE LYS B 127 -5.558 -8.743 -1.659 1.00 0.00 C ATOM 1114 NZ LYS B 127 -6.518 -9.684 -2.293 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.816 -10.401 4.008 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.567 -8.482 2.002 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.624 -10.808 1.931 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.996 -10.166 2.812 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -6.603 -10.288 0.478 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -6.457 -8.594 0.906 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -4.102 -8.628 -0.073 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -4.416 -10.258 -0.635 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -6.080 -7.821 -1.404 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -4.786 -8.482 -2.383 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -7.295 -9.147 -2.728 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -6.029 -10.239 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -6.903 -10.326 -1.571 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.747 -7.571 4.268 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.500 -6.418 4.779 1.00 0.00 C ATOM 1130 C ASN B 128 -5.592 -5.351 5.439 1.00 0.00 C ATOM 1131 O ASN B 128 -5.895 -4.157 5.388 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.579 -6.938 5.744 1.00 0.00 C ATOM 1133 CG ASN B 128 -7.041 -7.519 7.050 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -6.055 -8.244 7.084 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -7.662 -7.212 8.169 1.00 0.00 N ATOM 0 H ASN B 128 -5.739 -8.366 4.907 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.971 -5.903 3.942 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -8.261 -6.121 5.979 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -8.164 -7.704 5.235 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -7.321 -7.578 9.058 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -8.484 -6.608 8.147 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.461 -5.763 6.019 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.485 -4.875 6.666 1.00 0.00 C ATOM 1144 C GLN B 129 -2.684 -4.052 5.641 1.00 0.00 C ATOM 1145 O GLN B 129 -2.494 -2.851 5.836 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.542 -5.705 7.546 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.226 -6.340 8.771 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.346 -7.360 9.500 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.345 -7.862 8.991 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.689 -7.733 10.717 1.00 0.00 N ATOM 0 H GLN B 129 -4.190 -6.746 6.054 1.00 0.00 H new ATOM 0 HA GLN B 129 -4.033 -4.165 7.285 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -2.098 -6.495 6.940 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.726 -5.068 7.888 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.509 -5.552 9.469 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -4.146 -6.829 8.451 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.515 -7.331 11.160 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -2.128 -8.424 11.216 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.263 -4.660 4.523 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.584 -3.950 3.426 1.00 0.00 C ATOM 1161 C LEU B 130 -2.504 -2.925 2.746 1.00 0.00 C ATOM 1162 O LEU B 130 -2.027 -1.883 2.293 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.942 -4.947 2.434 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.889 -5.843 1.603 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.422 -5.184 0.324 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -1.137 -7.106 1.173 1.00 0.00 C ATOM 0 H LEU B 130 -2.383 -5.658 4.352 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.768 -3.368 3.855 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.323 -4.378 1.740 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.273 -5.598 2.998 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.740 -6.050 2.252 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -3.078 -5.881 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.981 -4.285 0.584 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.587 -4.918 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.800 -7.742 0.586 1.00 0.00 H new ATOM 0 HD22 LEU B 130 -0.273 -6.827 0.569 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.802 -7.649 2.057 1.00 0.00 H new ATOM 1178 N MET B 131 -3.824 -3.169 2.732 1.00 0.00 N ATOM 1179 CA MET B 131 -4.804 -2.185 2.258 1.00 0.00 C ATOM 1180 C MET B 131 -4.888 -0.980 3.194 1.00 0.00 C ATOM 1181 O MET B 131 -4.819 0.156 2.730 1.00 0.00 O ATOM 1182 CB MET B 131 -6.200 -2.797 2.128 1.00 0.00 C ATOM 1183 CG MET B 131 -6.347 -3.781 0.976 1.00 0.00 C ATOM 1184 SD MET B 131 -7.973 -4.588 0.971 1.00 0.00 S ATOM 1185 CE MET B 131 -7.621 -5.865 -0.253 1.00 0.00 C ATOM 0 H MET B 131 -4.237 -4.047 3.047 1.00 0.00 H new ATOM 0 HA MET B 131 -4.458 -1.860 1.277 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.449 -3.306 3.059 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.926 -1.994 1.999 1.00 0.00 H new ATOM 0 HG2 MET B 131 -6.200 -3.257 0.031 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.567 -4.539 1.045 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.532 -6.423 -0.469 1.00 0.00 H new ATOM 0 HE2 MET B 131 -7.255 -5.400 -1.169 1.00 0.00 H new ATOM 0 HE3 MET B 131 -6.863 -6.544 0.137 1.00 0.00 H new ATOM 1195 N ALA B 132 -4.993 -1.208 4.511 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.041 -0.132 5.501 1.00 0.00 C ATOM 1197 C ALA B 132 -3.753 0.718 5.494 1.00 0.00 C ATOM 1198 O ALA B 132 -3.826 1.946 5.583 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.289 -0.757 6.879 1.00 0.00 C ATOM 0 H ALA B 132 -5.047 -2.143 4.915 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.854 0.550 5.251 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.328 0.029 7.633 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.235 -1.298 6.868 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.480 -1.447 7.116 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.588 0.086 5.311 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.288 0.745 5.147 1.00 0.00 C ATOM 1207 C LEU B 133 -1.265 1.638 3.891 1.00 0.00 C ATOM 1208 O LEU B 133 -0.955 2.830 3.981 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.201 -0.351 5.152 1.00 0.00 C ATOM 1210 CG LEU B 133 1.280 0.053 4.996 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.690 0.325 3.549 1.00 0.00 C ATOM 1212 CD2 LEU B 133 1.651 1.249 5.870 1.00 0.00 C ATOM 0 H LEU B 133 -2.522 -0.931 5.272 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.091 1.429 5.972 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.294 -0.900 6.089 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.436 -1.049 4.349 1.00 0.00 H new ATOM 0 HG LEU B 133 1.839 -0.819 5.337 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.743 0.604 3.515 1.00 0.00 H new ATOM 0 HD12 LEU B 133 1.533 -0.573 2.951 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.087 1.139 3.147 1.00 0.00 H new ATOM 0 HD21 LEU B 133 2.703 1.494 5.724 1.00 0.00 H new ATOM 0 HD22 LEU B 133 1.037 2.106 5.593 1.00 0.00 H new ATOM 0 HD23 LEU B 133 1.478 1.002 6.917 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.630 1.101 2.724 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.652 1.859 1.473 1.00 0.00 C ATOM 1226 C ALA B 134 -2.709 2.991 1.467 1.00 0.00 C ATOM 1227 O ALA B 134 -2.444 4.071 0.943 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.850 0.865 0.324 1.00 0.00 C ATOM 0 H ALA B 134 -1.918 0.128 2.621 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.702 2.379 1.352 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.870 1.403 -0.623 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -1.028 0.149 0.317 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.792 0.334 0.460 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.871 2.778 2.097 1.00 0.00 N ATOM 1235 CA LEU B 135 -4.921 3.793 2.289 1.00 0.00 C ATOM 1236 C LEU B 135 -4.432 4.938 3.191 1.00 0.00 C ATOM 1237 O LEU B 135 -4.576 6.106 2.826 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.178 3.082 2.848 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.514 3.854 2.903 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.523 5.059 3.842 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.980 4.314 1.522 1.00 0.00 C ATOM 0 H LEU B 135 -4.116 1.873 2.498 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.176 4.262 1.339 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.341 2.185 2.251 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -5.946 2.753 3.861 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.207 3.117 3.309 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.503 5.536 3.813 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.310 4.729 4.859 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -6.762 5.773 3.525 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.923 4.852 1.617 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.229 4.973 1.085 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -8.120 3.446 0.878 1.00 0.00 H new ATOM 1253 N LYS B 136 -3.776 4.615 4.319 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.151 5.597 5.222 1.00 0.00 C ATOM 1255 C LYS B 136 -2.110 6.446 4.491 1.00 0.00 C ATOM 1256 O LYS B 136 -2.112 7.670 4.614 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.544 4.863 6.427 1.00 0.00 C ATOM 1258 CG LYS B 136 -1.884 5.823 7.432 1.00 0.00 C ATOM 1259 CD LYS B 136 -1.301 5.117 8.661 1.00 0.00 C ATOM 1260 CE LYS B 136 -2.387 4.429 9.495 1.00 0.00 C ATOM 1261 NZ LYS B 136 -1.832 3.835 10.740 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.663 3.651 4.633 1.00 0.00 H new ATOM 0 HA LYS B 136 -3.914 6.287 5.581 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.324 4.294 6.932 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -1.803 4.145 6.075 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.089 6.373 6.928 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -2.621 6.556 7.760 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -0.567 4.378 8.341 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -0.773 5.843 9.280 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -3.162 5.152 9.751 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -2.863 3.649 8.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 -2.596 3.379 11.278 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -1.110 3.127 10.495 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -1.400 4.583 11.319 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.260 5.825 3.680 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.282 6.534 2.847 1.00 0.00 C ATOM 1277 C LEU B 137 -0.947 7.368 1.736 1.00 0.00 C ATOM 1278 O LEU B 137 -0.422 8.435 1.413 1.00 0.00 O ATOM 1279 CB LEU B 137 0.714 5.502 2.278 1.00 0.00 C ATOM 1280 CG LEU B 137 2.005 5.338 3.108 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.786 5.207 4.618 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.733 4.092 2.616 1.00 0.00 C ATOM 0 H LEU B 137 -1.226 4.811 3.578 1.00 0.00 H new ATOM 0 HA LEU B 137 0.253 7.256 3.464 1.00 0.00 H new ATOM 0 HB2 LEU B 137 0.216 4.535 2.208 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.983 5.796 1.264 1.00 0.00 H new ATOM 0 HG LEU B 137 2.581 6.252 2.964 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.749 5.096 5.117 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.284 6.100 4.992 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.169 4.332 4.822 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.650 3.956 3.189 1.00 0.00 H new ATOM 0 HD22 LEU B 137 2.091 3.221 2.746 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.979 4.207 1.560 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.094 6.947 1.177 1.00 0.00 N ATOM 1295 CA LYS B 138 -2.821 7.728 0.163 1.00 0.00 C ATOM 1296 C LYS B 138 -3.471 8.981 0.752 1.00 0.00 C ATOM 1297 O LYS B 138 -3.278 10.062 0.197 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.844 6.852 -0.580 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.495 7.553 -1.787 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.485 7.952 -2.875 1.00 0.00 C ATOM 1301 CE LYS B 138 -4.163 8.636 -4.063 1.00 0.00 C ATOM 1302 NZ LYS B 138 -3.175 8.959 -5.125 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.541 6.061 1.414 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.087 8.074 -0.565 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.350 5.942 -0.922 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.625 6.548 0.118 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.245 6.892 -2.222 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.018 8.445 -1.442 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.739 8.622 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.956 7.064 -3.221 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.938 7.986 -4.468 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.655 9.549 -3.729 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.659 9.422 -5.920 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.450 9.598 -4.742 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -2.724 8.083 -5.457 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.191 8.878 1.874 1.00 0.00 N ATOM 1317 CA GLN B 139 -4.832 10.050 2.496 1.00 0.00 C ATOM 1318 C GLN B 139 -3.799 11.099 2.951 1.00 0.00 C ATOM 1319 O GLN B 139 -4.051 12.299 2.847 1.00 0.00 O ATOM 1320 CB GLN B 139 -5.794 9.633 3.624 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.116 9.008 4.850 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.095 8.741 5.995 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -6.028 9.342 7.064 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -7.049 7.850 5.831 1.00 0.00 N ATOM 0 H GLN B 139 -4.346 8.001 2.371 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.439 10.536 1.732 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -6.357 10.510 3.945 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.515 8.921 3.223 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -4.640 8.072 4.559 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -4.326 9.672 5.201 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -7.124 7.339 4.951 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -7.714 7.670 6.583 1.00 0.00 H new ATOM 1333 N GLN B 140 -2.601 10.672 3.372 1.00 0.00 N ATOM 1334 CA GLN B 140 -1.483 11.551 3.734 1.00 0.00 C ATOM 1335 C GLN B 140 -1.040 12.489 2.591 1.00 0.00 C ATOM 1336 O GLN B 140 -0.657 13.626 2.872 1.00 0.00 O ATOM 1337 CB GLN B 140 -0.307 10.680 4.209 1.00 0.00 C ATOM 1338 CG GLN B 140 0.068 10.918 5.675 1.00 0.00 C ATOM 1339 CD GLN B 140 -1.046 10.661 6.695 1.00 0.00 C ATOM 1340 OE1 GLN B 140 -1.361 11.508 7.527 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -1.695 9.517 6.697 1.00 0.00 N ATOM 0 H GLN B 140 -2.378 9.682 3.472 1.00 0.00 H new ATOM 0 HA GLN B 140 -1.824 12.208 4.534 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.563 9.629 4.072 1.00 0.00 H new ATOM 0 HB3 GLN B 140 0.562 10.880 3.582 1.00 0.00 H new ATOM 0 HG2 GLN B 140 0.916 10.280 5.922 1.00 0.00 H new ATOM 0 HG3 GLN B 140 0.403 11.950 5.782 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -1.456 8.794 6.018 1.00 0.00 H new ATOM 0 HE22 GLN B 140 -2.437 9.353 7.377 1.00 0.00 H new