USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=13 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 31 MET CE :methyl -169:sc= -0.116 (180deg=-0.144) USER MOD Set 1.2: B 123 SER OG : rot 180:sc= 0 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 USER MOD Single : A 23 SER OG : rot -65:sc= 1.24 USER MOD Single : A 26 SER OG : rot 180:sc=-0.00312 USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 1.04 (180deg=0.897) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.514 K(o=0.51,f=-3.8!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.729 K(o=-0.73,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 41 GLN : amide:sc= 1.37 K(o=1.4,f=-0.21) 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= 0.482 USER MOD Single : B 126 SER OG : rot 180:sc= 0 USER MOD Single : B 127 LYS NZ :NH3+ -166:sc= 0.847 (180deg=0.705) USER MOD Single : B 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 129 GLN : amide:sc= 0.582 K(o=0.58,f=-4.3!) USER MOD Single : B 131 MET CE :methyl -179:sc= -0.354 (180deg=-0.354) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 138 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0052) USER MOD Single : B 139 GLN : amide:sc= -0.739 K(o=-0.74,f=0) USER MOD Single : B 140 GLN : amide:sc= 0.942 K(o=0.94,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N TRP A 14 -14.582 7.401 -1.540 1.00 0.00 N ATOM 165 CA TRP A 14 -13.506 6.945 -2.435 1.00 0.00 C ATOM 166 C TRP A 14 -12.675 5.801 -1.821 1.00 0.00 C ATOM 167 O TRP A 14 -12.099 4.985 -2.544 1.00 0.00 O ATOM 168 CB TRP A 14 -12.605 8.154 -2.761 1.00 0.00 C ATOM 169 CG TRP A 14 -11.816 8.714 -1.611 1.00 0.00 C ATOM 170 CD1 TRP A 14 -12.196 9.746 -0.823 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.521 8.278 -1.082 1.00 0.00 C ATOM 172 NE1 TRP A 14 -11.254 9.950 0.170 1.00 0.00 N ATOM 173 CE2 TRP A 14 -10.193 9.084 0.051 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.591 7.279 -1.445 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -9.009 8.911 0.784 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.400 7.093 -0.717 1.00 0.00 C ATOM 177 CH2 TRP A 14 -8.106 7.908 0.394 1.00 0.00 C ATOM 0 HA TRP A 14 -13.954 6.543 -3.344 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.908 7.862 -3.546 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -13.230 8.949 -3.169 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -13.099 10.324 -0.950 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.337 10.657 0.901 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.797 6.647 -2.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.795 9.540 1.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.707 6.320 -1.013 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -7.188 7.762 0.945 1.00 0.00 H new ATOM 188 N LYS A 15 -12.635 5.717 -0.484 1.00 0.00 N ATOM 189 CA LYS A 15 -11.824 4.776 0.307 1.00 0.00 C ATOM 190 C LYS A 15 -12.194 3.310 0.053 1.00 0.00 C ATOM 191 O LYS A 15 -11.306 2.467 -0.053 1.00 0.00 O ATOM 192 CB LYS A 15 -11.990 5.110 1.802 1.00 0.00 C ATOM 193 CG LYS A 15 -11.566 6.546 2.161 1.00 0.00 C ATOM 194 CD LYS A 15 -11.815 6.829 3.648 1.00 0.00 C ATOM 195 CE LYS A 15 -11.430 8.277 3.963 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.745 8.641 5.368 1.00 0.00 N1+ ATOM 0 H LYS A 15 -13.194 6.333 0.106 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.785 4.892 -0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.033 4.966 2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.400 4.407 2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.510 6.687 1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.123 7.258 1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.864 6.659 3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.231 6.144 4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.364 8.417 3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.959 8.949 3.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.469 9.629 5.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.766 8.532 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.221 8.017 6.014 1.00 0.00 H new ATOM 210 N ASP A 16 -13.486 3.006 -0.092 1.00 0.00 N ATOM 211 CA ASP A 16 -13.988 1.650 -0.361 1.00 0.00 C ATOM 212 C ASP A 16 -13.567 1.159 -1.756 1.00 0.00 C ATOM 213 O ASP A 16 -13.123 0.025 -1.923 1.00 0.00 O ATOM 214 CB ASP A 16 -15.514 1.662 -0.219 1.00 0.00 C ATOM 215 CG ASP A 16 -16.161 0.267 -0.338 1.00 0.00 C ATOM 216 OD1 ASP A 16 -17.305 0.176 -0.846 1.00 0.00 O ATOM 217 OD2 ASP A 16 -15.553 -0.734 0.113 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.227 3.704 -0.025 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.555 0.955 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.776 2.093 0.747 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.936 2.314 -0.984 1.00 0.00 H new ATOM 222 N ASP A 17 -13.631 2.043 -2.760 1.00 0.00 N ATOM 223 CA ASP A 17 -13.128 1.765 -4.110 1.00 0.00 C ATOM 224 C ASP A 17 -11.592 1.677 -4.161 1.00 0.00 C ATOM 225 O ASP A 17 -11.038 0.900 -4.943 1.00 0.00 O ATOM 226 CB ASP A 17 -13.649 2.843 -5.075 1.00 0.00 C ATOM 227 CG ASP A 17 -13.275 2.509 -6.521 1.00 0.00 C ATOM 228 OD1 ASP A 17 -12.342 3.155 -7.056 1.00 0.00 O ATOM 229 OD2 ASP A 17 -13.913 1.613 -7.124 1.00 0.00 O1- ATOM 0 H ASP A 17 -14.035 2.974 -2.658 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.499 0.787 -4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.732 2.924 -4.985 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.233 3.813 -4.802 1.00 0.00 H new ATOM 234 N TYR A 18 -10.887 2.421 -3.293 1.00 0.00 N ATOM 235 CA TYR A 18 -9.433 2.334 -3.176 1.00 0.00 C ATOM 236 C TYR A 18 -8.999 0.986 -2.565 1.00 0.00 C ATOM 237 O TYR A 18 -8.139 0.307 -3.126 1.00 0.00 O ATOM 238 CB TYR A 18 -8.881 3.535 -2.406 1.00 0.00 C ATOM 239 CG TYR A 18 -7.418 3.808 -2.703 1.00 0.00 C ATOM 240 CD1 TYR A 18 -7.051 4.300 -3.974 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.428 3.586 -1.725 1.00 0.00 C ATOM 242 CE1 TYR A 18 -5.697 4.543 -4.275 1.00 0.00 C ATOM 243 CE2 TYR A 18 -5.073 3.843 -2.018 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.705 4.310 -3.297 1.00 0.00 C ATOM 245 OH TYR A 18 -3.401 4.544 -3.599 1.00 0.00 O ATOM 0 H TYR A 18 -11.313 3.096 -2.657 1.00 0.00 H new ATOM 0 HA TYR A 18 -9.002 2.370 -4.177 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.468 4.420 -2.654 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -9.003 3.361 -1.337 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.811 4.491 -4.718 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.708 3.218 -0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.417 4.907 -5.253 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.317 3.682 -1.263 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.843 4.337 -2.821 1.00 0.00 H new ATOM 255 N LEU A 19 -9.656 0.522 -1.492 1.00 0.00 N ATOM 256 CA LEU A 19 -9.481 -0.839 -0.954 1.00 0.00 C ATOM 257 C LEU A 19 -9.771 -1.914 -2.020 1.00 0.00 C ATOM 258 O LEU A 19 -9.030 -2.890 -2.130 1.00 0.00 O ATOM 259 CB LEU A 19 -10.396 -1.019 0.280 1.00 0.00 C ATOM 260 CG LEU A 19 -9.674 -0.821 1.622 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.996 0.537 1.791 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.654 -1.009 2.780 1.00 0.00 C ATOM 0 H LEU A 19 -10.328 1.082 -0.968 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.441 -0.966 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.222 -0.311 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.830 -2.018 0.256 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.886 -1.574 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.514 0.584 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.248 0.670 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.742 1.328 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.131 -0.866 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.460 -0.279 2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.071 -2.015 2.744 1.00 0.00 H new ATOM 274 N SER A 20 -10.807 -1.712 -2.838 1.00 0.00 N ATOM 275 CA SER A 20 -11.170 -2.627 -3.931 1.00 0.00 C ATOM 276 C SER A 20 -10.082 -2.712 -5.015 1.00 0.00 C ATOM 277 O SER A 20 -9.643 -3.819 -5.346 1.00 0.00 O ATOM 278 CB SER A 20 -12.523 -2.237 -4.525 1.00 0.00 C ATOM 279 OG SER A 20 -12.916 -3.161 -5.534 1.00 0.00 O ATOM 0 H SER A 20 -11.424 -0.904 -2.762 1.00 0.00 H new ATOM 0 HA SER A 20 -11.254 -3.627 -3.505 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.276 -2.209 -3.738 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.465 -1.234 -4.947 1.00 0.00 H new ATOM 0 HG SER A 20 -13.785 -2.895 -5.901 1.00 0.00 H new ATOM 285 N ARG A 21 -9.573 -1.576 -5.523 1.00 0.00 N ATOM 286 CA ARG A 21 -8.495 -1.561 -6.536 1.00 0.00 C ATOM 287 C ARG A 21 -7.150 -2.083 -6.010 1.00 0.00 C ATOM 288 O ARG A 21 -6.446 -2.777 -6.736 1.00 0.00 O ATOM 289 CB ARG A 21 -8.405 -0.202 -7.242 1.00 0.00 C ATOM 290 CG ARG A 21 -7.595 0.850 -6.492 1.00 0.00 C ATOM 291 CD ARG A 21 -7.532 2.154 -7.273 1.00 0.00 C ATOM 292 NE ARG A 21 -8.801 2.914 -7.248 1.00 0.00 N ATOM 293 CZ ARG A 21 -8.957 4.177 -7.596 1.00 0.00 C ATOM 294 NH1 ARG A 21 -7.960 4.928 -7.981 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -10.131 4.728 -7.570 1.00 0.00 N ATOM 0 H ARG A 21 -9.892 -0.647 -5.248 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.773 -2.285 -7.302 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.963 -0.348 -8.227 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.414 0.179 -7.399 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.043 1.029 -5.515 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.585 0.479 -6.316 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.736 2.776 -6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.267 1.937 -8.308 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.633 2.415 -6.932 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.017 4.542 -8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.125 5.900 -8.242 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.943 4.184 -7.279 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.242 5.705 -7.841 1.00 0.00 H new ATOM 309 N LEU A 22 -6.828 -1.820 -4.740 1.00 0.00 N ATOM 310 CA LEU A 22 -5.601 -2.302 -4.080 1.00 0.00 C ATOM 311 C LEU A 22 -5.510 -3.836 -4.008 1.00 0.00 C ATOM 312 O LEU A 22 -4.405 -4.380 -4.047 1.00 0.00 O ATOM 313 CB LEU A 22 -5.497 -1.667 -2.679 1.00 0.00 C ATOM 314 CG LEU A 22 -4.673 -0.365 -2.597 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.830 0.640 -3.745 1.00 0.00 C ATOM 316 CD2 LEU A 22 -5.046 0.365 -1.307 1.00 0.00 C ATOM 0 H LEU A 22 -7.419 -1.258 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.753 -1.992 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.504 -1.462 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.057 -2.398 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.638 -0.705 -2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.196 1.507 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.536 0.170 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.870 0.959 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.472 1.289 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.111 0.599 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.822 -0.271 -0.451 1.00 0.00 H new ATOM 328 N SER A 23 -6.642 -4.547 -3.973 1.00 0.00 N ATOM 329 CA SER A 23 -6.673 -6.018 -4.034 1.00 0.00 C ATOM 330 C SER A 23 -6.110 -6.602 -5.344 1.00 0.00 C ATOM 331 O SER A 23 -5.601 -7.728 -5.346 1.00 0.00 O ATOM 332 CB SER A 23 -8.101 -6.544 -3.806 1.00 0.00 C ATOM 333 OG SER A 23 -8.929 -6.442 -4.952 1.00 0.00 O ATOM 0 H SER A 23 -7.566 -4.121 -3.901 1.00 0.00 H new ATOM 0 HA SER A 23 -6.016 -6.355 -3.232 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.050 -7.588 -3.495 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.558 -5.989 -2.986 1.00 0.00 H new ATOM 0 HG SER A 23 -9.066 -5.497 -5.174 1.00 0.00 H new ATOM 339 N ARG A 24 -6.175 -5.845 -6.452 1.00 0.00 N ATOM 340 CA ARG A 24 -5.861 -6.316 -7.816 1.00 0.00 C ATOM 341 C ARG A 24 -4.359 -6.368 -8.130 1.00 0.00 C ATOM 342 O ARG A 24 -3.954 -7.084 -9.047 1.00 0.00 O ATOM 343 CB ARG A 24 -6.589 -5.437 -8.856 1.00 0.00 C ATOM 344 CG ARG A 24 -8.102 -5.254 -8.622 1.00 0.00 C ATOM 345 CD ARG A 24 -8.880 -6.551 -8.377 1.00 0.00 C ATOM 346 NE ARG A 24 -8.745 -7.508 -9.497 1.00 0.00 N ATOM 347 CZ ARG A 24 -8.829 -8.825 -9.425 1.00 0.00 C ATOM 348 NH1 ARG A 24 -9.062 -9.447 -8.300 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -8.690 -9.554 -10.494 1.00 0.00 N ATOM 0 H ARG A 24 -6.454 -4.864 -6.426 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.215 -7.345 -7.871 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.119 -4.454 -8.869 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.441 -5.874 -9.844 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.245 -4.595 -7.766 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.530 -4.749 -9.488 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.524 -7.018 -7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.934 -6.317 -8.227 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.569 -7.111 -10.420 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.186 -8.914 -7.439 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.120 -10.465 -8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.515 -9.109 -11.395 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.756 -10.570 -10.431 1.00 0.00 H new ATOM 363 N LEU A 25 -3.529 -5.634 -7.383 1.00 0.00 N ATOM 364 CA LEU A 25 -2.074 -5.617 -7.560 1.00 0.00 C ATOM 365 C LEU A 25 -1.426 -6.933 -7.097 1.00 0.00 C ATOM 366 O LEU A 25 -1.828 -7.524 -6.088 1.00 0.00 O ATOM 367 CB LEU A 25 -1.440 -4.417 -6.823 1.00 0.00 C ATOM 368 CG LEU A 25 -1.661 -2.998 -7.390 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.504 -2.916 -8.910 1.00 0.00 C ATOM 370 CD2 LEU A 25 -3.013 -2.409 -7.004 1.00 0.00 C ATOM 0 H LEU A 25 -3.853 -5.028 -6.629 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.883 -5.510 -8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.811 -4.425 -5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.365 -4.590 -6.774 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.869 -2.407 -6.930 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.673 -1.890 -9.238 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.497 -3.225 -9.189 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.230 -3.574 -9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.110 -1.411 -7.431 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.810 -3.047 -7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.086 -2.348 -5.918 1.00 0.00 H new ATOM 382 N SER A 26 -0.380 -7.359 -7.814 1.00 0.00 N ATOM 383 CA SER A 26 0.529 -8.437 -7.394 1.00 0.00 C ATOM 384 C SER A 26 1.336 -8.043 -6.143 1.00 0.00 C ATOM 385 O SER A 26 1.445 -6.860 -5.809 1.00 0.00 O ATOM 386 CB SER A 26 1.451 -8.805 -8.563 1.00 0.00 C ATOM 387 OG SER A 26 2.302 -9.894 -8.233 1.00 0.00 O ATOM 0 H SER A 26 -0.135 -6.958 -8.719 1.00 0.00 H new ATOM 0 HA SER A 26 -0.063 -9.310 -7.119 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.850 -9.063 -9.435 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.055 -7.940 -8.837 1.00 0.00 H new ATOM 0 HG SER A 26 2.875 -10.105 -8.999 1.00 0.00 H new ATOM 393 N LYS A 27 1.940 -9.023 -5.455 1.00 0.00 N ATOM 394 CA LYS A 27 2.685 -8.832 -4.198 1.00 0.00 C ATOM 395 C LYS A 27 3.858 -7.845 -4.331 1.00 0.00 C ATOM 396 O LYS A 27 4.098 -7.060 -3.416 1.00 0.00 O ATOM 397 CB LYS A 27 3.147 -10.215 -3.694 1.00 0.00 C ATOM 398 CG LYS A 27 3.740 -10.230 -2.276 1.00 0.00 C ATOM 399 CD LYS A 27 2.732 -9.821 -1.184 1.00 0.00 C ATOM 400 CE LYS A 27 3.365 -9.963 0.205 1.00 0.00 C ATOM 401 NZ LYS A 27 2.385 -9.718 1.293 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.925 -9.995 -5.763 1.00 0.00 H new ATOM 0 HA LYS A 27 2.021 -8.373 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.297 -10.897 -3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.892 -10.606 -4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.114 -11.230 -2.058 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.595 -9.555 -2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.413 -8.791 -1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.841 -10.445 -1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.782 -10.964 0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.193 -9.261 0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.890 -9.589 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.835 -8.862 1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.742 -10.532 1.371 1.00 0.00 H new ATOM 415 N ASN A 28 4.549 -7.832 -5.472 1.00 0.00 N ATOM 416 CA ASN A 28 5.592 -6.844 -5.793 1.00 0.00 C ATOM 417 C ASN A 28 5.016 -5.449 -6.127 1.00 0.00 C ATOM 418 O ASN A 28 5.554 -4.428 -5.693 1.00 0.00 O ATOM 419 CB ASN A 28 6.425 -7.403 -6.961 1.00 0.00 C ATOM 420 CG ASN A 28 7.550 -6.469 -7.379 1.00 0.00 C ATOM 421 OD1 ASN A 28 7.422 -5.666 -8.290 1.00 0.00 O ATOM 422 ND2 ASN A 28 8.684 -6.535 -6.719 1.00 0.00 N ATOM 0 H ASN A 28 4.401 -8.516 -6.214 1.00 0.00 H new ATOM 0 HA ASN A 28 6.219 -6.691 -4.915 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.846 -8.366 -6.673 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.771 -7.583 -7.815 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.456 -5.916 -6.968 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.793 -7.205 -5.958 1.00 0.00 H new ATOM 429 N GLN A 29 3.900 -5.404 -6.858 1.00 0.00 N ATOM 430 CA GLN A 29 3.263 -4.162 -7.310 1.00 0.00 C ATOM 431 C GLN A 29 2.644 -3.356 -6.158 1.00 0.00 C ATOM 432 O GLN A 29 2.797 -2.137 -6.120 1.00 0.00 O ATOM 433 CB GLN A 29 2.193 -4.481 -8.368 1.00 0.00 C ATOM 434 CG GLN A 29 2.765 -5.054 -9.679 1.00 0.00 C ATOM 435 CD GLN A 29 1.675 -5.564 -10.622 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.555 -5.883 -10.239 1.00 0.00 O ATOM 437 NE2 GLN A 29 1.960 -5.690 -11.898 1.00 0.00 N ATOM 0 H GLN A 29 3.404 -6.243 -7.158 1.00 0.00 H new ATOM 0 HA GLN A 29 4.045 -3.539 -7.745 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.483 -5.195 -7.950 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.635 -3.572 -8.593 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.347 -4.283 -10.185 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.450 -5.869 -9.447 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.885 -5.431 -12.242 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.257 -6.046 -12.545 1.00 0.00 H new ATOM 446 N LEU A 30 1.990 -4.012 -5.190 1.00 0.00 N ATOM 447 CA LEU A 30 1.447 -3.342 -3.997 1.00 0.00 C ATOM 448 C LEU A 30 2.544 -2.738 -3.104 1.00 0.00 C ATOM 449 O LEU A 30 2.327 -1.694 -2.487 1.00 0.00 O ATOM 450 CB LEU A 30 0.486 -4.286 -3.242 1.00 0.00 C ATOM 451 CG LEU A 30 1.080 -5.565 -2.622 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.667 -5.364 -1.217 1.00 0.00 C ATOM 453 CD2 LEU A 30 -0.014 -6.636 -2.530 1.00 0.00 C ATOM 0 H LEU A 30 1.822 -5.018 -5.210 1.00 0.00 H new ATOM 0 HA LEU A 30 0.861 -2.484 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.013 -3.715 -2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.304 -4.583 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 30 1.899 -5.865 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.065 -6.310 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.468 -4.626 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.886 -5.013 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.401 -7.544 -2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.829 -6.271 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.393 -6.856 -3.528 1.00 0.00 H new ATOM 465 N MET A 31 3.744 -3.337 -3.085 1.00 0.00 N ATOM 466 CA MET A 31 4.909 -2.769 -2.392 1.00 0.00 C ATOM 467 C MET A 31 5.454 -1.538 -3.119 1.00 0.00 C ATOM 468 O MET A 31 5.687 -0.513 -2.482 1.00 0.00 O ATOM 469 CB MET A 31 6.021 -3.815 -2.228 1.00 0.00 C ATOM 470 CG MET A 31 5.673 -4.875 -1.184 1.00 0.00 C ATOM 471 SD MET A 31 7.059 -5.951 -0.756 1.00 0.00 S ATOM 472 CE MET A 31 6.635 -7.445 -1.678 1.00 0.00 C ATOM 0 H MET A 31 3.933 -4.226 -3.548 1.00 0.00 H new ATOM 0 HA MET A 31 4.570 -2.459 -1.403 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.205 -4.300 -3.187 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.946 -3.316 -1.941 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.316 -4.380 -0.281 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.852 -5.486 -1.559 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.284 -8.262 -1.365 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.596 -7.711 -1.482 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.768 -7.264 -2.745 1.00 0.00 H new ATOM 482 N ALA A 32 5.592 -1.596 -4.449 1.00 0.00 N ATOM 483 CA ALA A 32 6.021 -0.458 -5.263 1.00 0.00 C ATOM 484 C ALA A 32 5.035 0.726 -5.186 1.00 0.00 C ATOM 485 O ALA A 32 5.464 1.880 -5.104 1.00 0.00 O ATOM 486 CB ALA A 32 6.205 -0.935 -6.706 1.00 0.00 C ATOM 0 H ALA A 32 5.408 -2.440 -4.992 1.00 0.00 H new ATOM 0 HA ALA A 32 6.967 -0.083 -4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.525 -0.099 -7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.961 -1.720 -6.736 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.260 -1.327 -7.083 1.00 0.00 H new ATOM 492 N LEU A 33 3.725 0.455 -5.129 1.00 0.00 N ATOM 493 CA LEU A 33 2.659 1.451 -4.934 1.00 0.00 C ATOM 494 C LEU A 33 2.805 2.166 -3.579 1.00 0.00 C ATOM 495 O LEU A 33 2.874 3.393 -3.543 1.00 0.00 O ATOM 496 CB LEU A 33 1.300 0.734 -5.121 1.00 0.00 C ATOM 497 CG LEU A 33 -0.004 1.557 -5.027 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.379 1.994 -3.605 1.00 0.00 C ATOM 499 CD2 LEU A 33 0.018 2.785 -5.941 1.00 0.00 C ATOM 0 H LEU A 33 3.364 -0.495 -5.220 1.00 0.00 H new ATOM 0 HA LEU A 33 2.728 2.248 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.315 0.252 -6.099 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.242 -0.059 -4.376 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.773 0.862 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.307 2.566 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.514 1.113 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.417 2.614 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.920 3.331 -5.840 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.848 3.433 -5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.142 2.466 -6.976 1.00 0.00 H new ATOM 511 N ALA A 34 2.925 1.418 -2.481 1.00 0.00 N ATOM 512 CA ALA A 34 3.129 1.994 -1.152 1.00 0.00 C ATOM 513 C ALA A 34 4.461 2.770 -1.035 1.00 0.00 C ATOM 514 O ALA A 34 4.479 3.876 -0.490 1.00 0.00 O ATOM 515 CB ALA A 34 3.022 0.870 -0.114 1.00 0.00 C ATOM 0 H ALA A 34 2.884 0.399 -2.488 1.00 0.00 H new ATOM 0 HA ALA A 34 2.353 2.737 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.172 1.281 0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.035 0.412 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.784 0.116 -0.314 1.00 0.00 H new ATOM 521 N LEU A 35 5.558 2.255 -1.604 1.00 0.00 N ATOM 522 CA LEU A 35 6.864 2.931 -1.652 1.00 0.00 C ATOM 523 C LEU A 35 6.769 4.281 -2.387 1.00 0.00 C ATOM 524 O LEU A 35 7.227 5.301 -1.866 1.00 0.00 O ATOM 525 CB LEU A 35 7.864 1.958 -2.312 1.00 0.00 C ATOM 526 CG LEU A 35 9.372 2.273 -2.243 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.803 3.565 -2.941 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.873 2.320 -0.801 1.00 0.00 C ATOM 0 H LEU A 35 5.565 1.339 -2.053 1.00 0.00 H new ATOM 0 HA LEU A 35 7.211 3.176 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.712 0.976 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.594 1.873 -3.365 1.00 0.00 H new ATOM 0 HG LEU A 35 9.826 1.446 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.880 3.694 -2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.547 3.510 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.289 4.413 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.940 2.544 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.335 3.095 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.702 1.355 -0.325 1.00 0.00 H new ATOM 540 N LYS A 36 6.112 4.315 -3.558 1.00 0.00 N ATOM 541 CA LYS A 36 5.864 5.528 -4.356 1.00 0.00 C ATOM 542 C LYS A 36 5.093 6.588 -3.562 1.00 0.00 C ATOM 543 O LYS A 36 5.547 7.729 -3.475 1.00 0.00 O ATOM 544 CB LYS A 36 5.146 5.124 -5.657 1.00 0.00 C ATOM 545 CG LYS A 36 4.865 6.322 -6.578 1.00 0.00 C ATOM 546 CD LYS A 36 4.255 5.914 -7.930 1.00 0.00 C ATOM 547 CE LYS A 36 2.870 5.267 -7.769 1.00 0.00 C ATOM 548 NZ LYS A 36 2.264 4.951 -9.088 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.727 3.474 -3.989 1.00 0.00 H new ATOM 0 HA LYS A 36 6.815 5.996 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.755 4.395 -6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.205 4.633 -5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.187 7.010 -6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.795 6.863 -6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.172 6.793 -8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.924 5.216 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.959 4.354 -7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.214 5.940 -7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.330 4.516 -8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.158 5.826 -9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.879 4.290 -9.603 1.00 0.00 H new ATOM 562 N LEU A 37 3.973 6.222 -2.939 1.00 0.00 N ATOM 563 CA LEU A 37 3.175 7.132 -2.104 1.00 0.00 C ATOM 564 C LEU A 37 3.965 7.648 -0.886 1.00 0.00 C ATOM 565 O LEU A 37 3.806 8.812 -0.501 1.00 0.00 O ATOM 566 CB LEU A 37 1.890 6.423 -1.640 1.00 0.00 C ATOM 567 CG LEU A 37 0.664 6.648 -2.542 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.855 6.221 -3.994 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.517 5.876 -1.963 1.00 0.00 C ATOM 0 H LEU A 37 3.588 5.279 -2.997 1.00 0.00 H new ATOM 0 HA LEU A 37 2.918 7.998 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.085 5.352 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.649 6.762 -0.633 1.00 0.00 H new ATOM 0 HG LEU A 37 0.494 7.724 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.059 6.417 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.678 6.785 -4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.084 5.156 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.394 6.026 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.275 4.814 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.728 6.235 -0.956 1.00 0.00 H new ATOM 581 N LYS A 38 4.821 6.809 -0.290 1.00 0.00 N ATOM 582 CA LYS A 38 5.663 7.169 0.861 1.00 0.00 C ATOM 583 C LYS A 38 6.732 8.200 0.487 1.00 0.00 C ATOM 584 O LYS A 38 6.797 9.249 1.126 1.00 0.00 O ATOM 585 CB LYS A 38 6.273 5.895 1.473 1.00 0.00 C ATOM 586 CG LYS A 38 6.950 6.104 2.835 1.00 0.00 C ATOM 587 CD LYS A 38 5.971 6.526 3.936 1.00 0.00 C ATOM 588 CE LYS A 38 6.676 6.502 5.299 1.00 0.00 C ATOM 589 NZ LYS A 38 5.755 6.866 6.408 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.951 5.845 -0.598 1.00 0.00 H new ATOM 0 HA LYS A 38 5.038 7.647 1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.487 5.148 1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.005 5.487 0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.446 5.180 3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.725 6.864 2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.590 7.526 3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.113 5.854 3.949 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.085 5.508 5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.518 7.195 5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.270 6.838 7.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.384 7.825 6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.965 6.190 6.439 1.00 0.00 H new ATOM 603 N GLN A 39 7.525 7.960 -0.564 1.00 0.00 N ATOM 604 CA GLN A 39 8.558 8.924 -0.974 1.00 0.00 C ATOM 605 C GLN A 39 7.947 10.259 -1.434 1.00 0.00 C ATOM 606 O GLN A 39 8.513 11.318 -1.162 1.00 0.00 O ATOM 607 CB GLN A 39 9.517 8.319 -2.016 1.00 0.00 C ATOM 608 CG GLN A 39 8.902 8.037 -3.396 1.00 0.00 C ATOM 609 CD GLN A 39 9.966 7.700 -4.437 1.00 0.00 C ATOM 610 OE1 GLN A 39 10.336 8.509 -5.276 1.00 0.00 O ATOM 611 NE2 GLN A 39 10.517 6.501 -4.426 1.00 0.00 N ATOM 0 H GLN A 39 7.475 7.120 -1.140 1.00 0.00 H new ATOM 0 HA GLN A 39 9.160 9.152 -0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.360 8.997 -2.145 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.916 7.386 -1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.197 7.209 -3.317 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.335 8.908 -3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.223 5.811 -3.735 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.237 6.264 -5.109 1.00 0.00 H new ATOM 620 N GLN A 40 6.757 10.248 -2.051 1.00 0.00 N ATOM 621 CA GLN A 40 6.051 11.465 -2.478 1.00 0.00 C ATOM 622 C GLN A 40 5.719 12.393 -1.299 1.00 0.00 C ATOM 623 O GLN A 40 5.979 13.596 -1.374 1.00 0.00 O ATOM 624 CB GLN A 40 4.768 11.084 -3.228 1.00 0.00 C ATOM 625 CG GLN A 40 5.062 10.687 -4.684 1.00 0.00 C ATOM 626 CD GLN A 40 3.881 10.020 -5.392 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.825 9.746 -4.834 1.00 0.00 O ATOM 628 NE2 GLN A 40 4.009 9.742 -6.671 1.00 0.00 N ATOM 0 H GLN A 40 6.253 9.388 -2.269 1.00 0.00 H new ATOM 0 HA GLN A 40 6.718 12.016 -3.141 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.279 10.256 -2.716 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.073 11.924 -3.212 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.353 11.577 -5.242 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.914 10.008 -4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.879 9.961 -7.156 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.238 9.307 -7.178 1.00 0.00 H new ATOM 637 N GLN A 41 5.151 11.860 -0.214 1.00 0.00 N ATOM 638 CA GLN A 41 4.761 12.662 0.959 1.00 0.00 C ATOM 639 C GLN A 41 5.925 13.003 1.905 1.00 0.00 C ATOM 640 O GLN A 41 5.843 13.997 2.631 1.00 0.00 O ATOM 641 CB GLN A 41 3.581 12.007 1.693 1.00 0.00 C ATOM 642 CG GLN A 41 3.874 10.677 2.407 1.00 0.00 C ATOM 643 CD GLN A 41 2.575 9.934 2.693 1.00 0.00 C ATOM 644 OE1 GLN A 41 2.044 9.944 3.797 1.00 0.00 O ATOM 645 NE2 GLN A 41 1.984 9.312 1.701 1.00 0.00 N ATOM 0 H GLN A 41 4.947 10.865 -0.119 1.00 0.00 H new ATOM 0 HA GLN A 41 4.434 13.629 0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.202 12.715 2.430 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.781 11.839 0.972 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.525 10.060 1.788 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.406 10.866 3.339 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.417 9.297 0.778 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.091 8.843 1.853 1.00 0.00 H new ATOM 901 N LYS B 115 14.585 2.151 1.392 1.00 0.00 N ATOM 902 CA LYS B 115 13.589 1.608 0.449 1.00 0.00 C ATOM 903 C LYS B 115 13.514 0.079 0.490 1.00 0.00 C ATOM 904 O LYS B 115 12.421 -0.486 0.481 1.00 0.00 O ATOM 905 CB LYS B 115 13.936 2.063 -0.978 1.00 0.00 C ATOM 906 CG LYS B 115 13.802 3.579 -1.185 1.00 0.00 C ATOM 907 CD LYS B 115 14.394 3.960 -2.542 1.00 0.00 C ATOM 908 CE LYS B 115 14.262 5.459 -2.793 1.00 0.00 C ATOM 909 NZ LYS B 115 15.014 5.859 -4.012 1.00 0.00 N1+ ATOM 0 HA LYS B 115 12.614 1.991 0.749 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.958 1.761 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS B 115 13.284 1.548 -1.684 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.753 3.872 -1.138 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.318 4.113 -0.388 1.00 0.00 H new ATOM 0 HD2 LYS B 115 15.445 3.672 -2.578 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.885 3.409 -3.333 1.00 0.00 H new ATOM 0 HE2 LYS B 115 13.210 5.722 -2.907 1.00 0.00 H new ATOM 0 HE3 LYS B 115 14.637 6.011 -1.931 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 14.910 6.883 -4.164 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 16.021 5.627 -3.891 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 14.638 5.347 -4.836 1.00 0.00 H new ATOM 923 N ASP B 116 14.664 -0.588 0.586 1.00 0.00 N ATOM 924 CA ASP B 116 14.748 -2.054 0.693 1.00 0.00 C ATOM 925 C ASP B 116 14.184 -2.571 2.025 1.00 0.00 C ATOM 926 O ASP B 116 13.481 -3.585 2.054 1.00 0.00 O ATOM 927 CB ASP B 116 16.204 -2.528 0.508 1.00 0.00 C ATOM 928 CG ASP B 116 16.821 -2.231 -0.872 1.00 0.00 C ATOM 929 OD1 ASP B 116 18.063 -2.343 -1.004 1.00 0.00 O ATOM 930 OD2 ASP B 116 16.083 -1.917 -1.840 1.00 0.00 O1- ATOM 0 H ASP B 116 15.574 -0.127 0.592 1.00 0.00 H new ATOM 0 HA ASP B 116 14.133 -2.470 -0.105 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.822 -2.058 1.273 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.244 -3.603 0.682 1.00 0.00 H new ATOM 935 N ASP B 117 14.423 -1.853 3.128 1.00 0.00 N ATOM 936 CA ASP B 117 13.815 -2.154 4.430 1.00 0.00 C ATOM 937 C ASP B 117 12.301 -1.879 4.444 1.00 0.00 C ATOM 938 O ASP B 117 11.547 -2.626 5.075 1.00 0.00 O ATOM 939 CB ASP B 117 14.514 -1.357 5.543 1.00 0.00 C ATOM 940 CG ASP B 117 16.003 -1.692 5.744 1.00 0.00 C ATOM 941 OD1 ASP B 117 16.470 -2.792 5.358 1.00 0.00 O ATOM 942 OD2 ASP B 117 16.726 -0.857 6.342 1.00 0.00 O1- ATOM 0 H ASP B 117 15.045 -1.045 3.143 1.00 0.00 H new ATOM 0 HA ASP B 117 13.951 -3.220 4.612 1.00 0.00 H new ATOM 0 HB2 ASP B 117 14.423 -0.294 5.320 1.00 0.00 H new ATOM 0 HB3 ASP B 117 13.987 -1.533 6.481 1.00 0.00 H new ATOM 947 N TYR B 118 11.838 -0.862 3.714 1.00 0.00 N ATOM 948 CA TYR B 118 10.412 -0.562 3.576 1.00 0.00 C ATOM 949 C TYR B 118 9.692 -1.655 2.774 1.00 0.00 C ATOM 950 O TYR B 118 8.692 -2.192 3.244 1.00 0.00 O ATOM 951 CB TYR B 118 10.209 0.850 3.002 1.00 0.00 C ATOM 952 CG TYR B 118 8.875 1.472 3.373 1.00 0.00 C ATOM 953 CD1 TYR B 118 7.906 1.753 2.392 1.00 0.00 C ATOM 954 CD2 TYR B 118 8.607 1.780 4.723 1.00 0.00 C ATOM 955 CE1 TYR B 118 6.679 2.341 2.757 1.00 0.00 C ATOM 956 CE2 TYR B 118 7.378 2.349 5.094 1.00 0.00 C ATOM 957 CZ TYR B 118 6.402 2.623 4.112 1.00 0.00 C ATOM 958 OH TYR B 118 5.199 3.149 4.470 1.00 0.00 O ATOM 0 H TYR B 118 12.444 -0.222 3.201 1.00 0.00 H new ATOM 0 HA TYR B 118 9.952 -0.564 4.564 1.00 0.00 H new ATOM 0 HB2 TYR B 118 11.012 1.496 3.356 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.290 0.807 1.916 1.00 0.00 H new ATOM 0 HD1 TYR B 118 8.103 1.517 1.357 1.00 0.00 H new ATOM 0 HD2 TYR B 118 9.353 1.577 5.477 1.00 0.00 H new ATOM 0 HE1 TYR B 118 5.948 2.577 1.998 1.00 0.00 H new ATOM 0 HE2 TYR B 118 7.180 2.577 6.131 1.00 0.00 H new ATOM 0 HH TYR B 118 5.175 3.280 5.441 1.00 0.00 H new ATOM 968 N LEU B 119 10.243 -2.093 1.633 1.00 0.00 N ATOM 969 CA LEU B 119 9.740 -3.266 0.902 1.00 0.00 C ATOM 970 C LEU B 119 9.740 -4.526 1.793 1.00 0.00 C ATOM 971 O LEU B 119 8.740 -5.250 1.840 1.00 0.00 O ATOM 972 CB LEU B 119 10.591 -3.485 -0.368 1.00 0.00 C ATOM 973 CG LEU B 119 9.982 -2.900 -1.654 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.628 -1.413 -1.570 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.958 -3.082 -2.821 1.00 0.00 C ATOM 0 H LEU B 119 11.047 -1.646 1.192 1.00 0.00 H new ATOM 0 HA LEU B 119 8.706 -3.080 0.610 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.574 -3.041 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.743 -4.555 -0.508 1.00 0.00 H new ATOM 0 HG LEU B 119 9.052 -3.448 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU B 119 9.205 -1.085 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.899 -1.257 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.528 -0.836 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.521 -2.666 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.892 -2.566 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU B 119 11.156 -4.144 -2.967 1.00 0.00 H new ATOM 987 N SER B 120 10.809 -4.764 2.560 1.00 0.00 N ATOM 988 CA SER B 120 10.898 -5.913 3.469 1.00 0.00 C ATOM 989 C SER B 120 9.778 -5.918 4.517 1.00 0.00 C ATOM 990 O SER B 120 9.143 -6.959 4.710 1.00 0.00 O ATOM 991 CB SER B 120 12.270 -5.967 4.149 1.00 0.00 C ATOM 992 OG SER B 120 12.365 -7.098 5.000 1.00 0.00 O ATOM 0 H SER B 120 11.636 -4.167 2.569 1.00 0.00 H new ATOM 0 HA SER B 120 10.772 -6.807 2.859 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.054 -6.008 3.393 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.431 -5.057 4.727 1.00 0.00 H new ATOM 0 HG SER B 120 13.249 -7.115 5.424 1.00 0.00 H new ATOM 998 N ARG B 121 9.462 -4.775 5.151 1.00 0.00 N ATOM 999 CA ARG B 121 8.383 -4.697 6.157 1.00 0.00 C ATOM 1000 C ARG B 121 6.974 -4.682 5.554 1.00 0.00 C ATOM 1001 O ARG B 121 6.077 -5.303 6.118 1.00 0.00 O ATOM 1002 CB ARG B 121 8.635 -3.539 7.144 1.00 0.00 C ATOM 1003 CG ARG B 121 8.171 -2.149 6.673 1.00 0.00 C ATOM 1004 CD ARG B 121 8.571 -1.049 7.666 1.00 0.00 C ATOM 1005 NE ARG B 121 7.881 -1.198 8.965 1.00 0.00 N ATOM 1006 CZ ARG B 121 8.199 -0.610 10.107 1.00 0.00 C ATOM 1007 NH1 ARG B 121 9.196 0.225 10.204 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 7.515 -0.843 11.190 1.00 0.00 N ATOM 0 H ARG B 121 9.939 -3.889 4.985 1.00 0.00 H new ATOM 0 HA ARG B 121 8.416 -5.626 6.727 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.133 -3.771 8.083 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.703 -3.493 7.356 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.604 -1.933 5.697 1.00 0.00 H new ATOM 0 HG3 ARG B 121 7.088 -2.150 6.548 1.00 0.00 H new ATOM 0 HD2 ARG B 121 9.649 -1.077 7.823 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.336 -0.073 7.240 1.00 0.00 H new ATOM 0 HE ARG B 121 7.073 -1.821 8.983 1.00 0.00 H new ATOM 0 HH11 ARG B 121 9.760 0.444 9.383 1.00 0.00 H new ATOM 0 HH12 ARG B 121 9.412 0.660 11.101 1.00 0.00 H new ATOM 0 HH21 ARG B 121 6.723 -1.486 11.165 1.00 0.00 H new ATOM 0 HH22 ARG B 121 7.771 -0.383 12.064 1.00 0.00 H new ATOM 1022 N LEU B 122 6.781 -4.047 4.394 1.00 0.00 N ATOM 1023 CA LEU B 122 5.503 -4.024 3.660 1.00 0.00 C ATOM 1024 C LEU B 122 5.045 -5.432 3.240 1.00 0.00 C ATOM 1025 O LEU B 122 3.850 -5.733 3.286 1.00 0.00 O ATOM 1026 CB LEU B 122 5.644 -3.126 2.418 1.00 0.00 C ATOM 1027 CG LEU B 122 5.255 -1.646 2.577 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.689 -0.951 3.874 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.838 -0.866 1.398 1.00 0.00 C ATOM 0 H LEU B 122 7.521 -3.523 3.926 1.00 0.00 H new ATOM 0 HA LEU B 122 4.742 -3.624 4.330 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.681 -3.170 2.085 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.035 -3.552 1.621 1.00 0.00 H new ATOM 0 HG LEU B 122 4.166 -1.647 2.611 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.354 0.086 3.861 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.247 -1.465 4.728 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.776 -0.980 3.956 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.573 0.187 1.492 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.923 -0.968 1.395 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.434 -1.260 0.466 1.00 0.00 H new ATOM 1041 N SER B 123 5.980 -6.322 2.886 1.00 0.00 N ATOM 1042 CA SER B 123 5.697 -7.717 2.525 1.00 0.00 C ATOM 1043 C SER B 123 5.035 -8.534 3.652 1.00 0.00 C ATOM 1044 O SER B 123 4.288 -9.479 3.375 1.00 0.00 O ATOM 1045 CB SER B 123 7.005 -8.388 2.091 1.00 0.00 C ATOM 1046 OG SER B 123 6.752 -9.661 1.521 1.00 0.00 O ATOM 0 H SER B 123 6.972 -6.089 2.842 1.00 0.00 H new ATOM 0 HA SER B 123 4.973 -7.696 1.710 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.520 -7.756 1.367 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.667 -8.494 2.950 1.00 0.00 H new ATOM 0 HG SER B 123 7.599 -10.072 1.249 1.00 0.00 H new ATOM 1052 N ARG B 124 5.274 -8.179 4.925 1.00 0.00 N ATOM 1053 CA ARG B 124 4.848 -8.962 6.107 1.00 0.00 C ATOM 1054 C ARG B 124 3.352 -8.847 6.420 1.00 0.00 C ATOM 1055 O ARG B 124 2.790 -9.727 7.078 1.00 0.00 O ATOM 1056 CB ARG B 124 5.657 -8.531 7.348 1.00 0.00 C ATOM 1057 CG ARG B 124 7.177 -8.405 7.138 1.00 0.00 C ATOM 1058 CD ARG B 124 7.817 -9.623 6.473 1.00 0.00 C ATOM 1059 NE ARG B 124 9.248 -9.373 6.211 1.00 0.00 N ATOM 1060 CZ ARG B 124 10.301 -10.094 6.547 1.00 0.00 C ATOM 1061 NH1 ARG B 124 10.209 -11.212 7.208 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 11.495 -9.687 6.218 1.00 0.00 N ATOM 0 H ARG B 124 5.777 -7.326 5.171 1.00 0.00 H new ATOM 0 HA ARG B 124 5.042 -10.006 5.859 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.275 -7.570 7.694 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.477 -9.251 8.146 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.377 -7.524 6.528 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.654 -8.239 8.104 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.705 -10.497 7.115 1.00 0.00 H new ATOM 0 HD3 ARG B 124 7.303 -9.847 5.538 1.00 0.00 H new ATOM 0 HE ARG B 124 9.453 -8.518 5.695 1.00 0.00 H new ATOM 0 HH11 ARG B 124 9.294 -11.565 7.488 1.00 0.00 H new ATOM 0 HH12 ARG B 124 11.052 -11.735 7.445 1.00 0.00 H new ATOM 0 HH21 ARG B 124 11.612 -8.814 5.703 1.00 0.00 H new ATOM 0 HH22 ARG B 124 12.312 -10.241 6.476 1.00 0.00 H new ATOM 1076 N LEU B 125 2.713 -7.774 5.960 1.00 0.00 N ATOM 1077 CA LEU B 125 1.284 -7.502 6.158 1.00 0.00 C ATOM 1078 C LEU B 125 0.391 -8.484 5.369 1.00 0.00 C ATOM 1079 O LEU B 125 0.689 -8.847 4.226 1.00 0.00 O ATOM 1080 CB LEU B 125 0.939 -6.040 5.784 1.00 0.00 C ATOM 1081 CG LEU B 125 1.414 -4.910 6.720 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.260 -5.224 8.209 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.861 -4.507 6.470 1.00 0.00 C ATOM 0 H LEU B 125 3.185 -7.046 5.423 1.00 0.00 H new ATOM 0 HA LEU B 125 1.078 -7.649 7.218 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.350 -5.845 4.794 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.145 -5.966 5.699 1.00 0.00 H new ATOM 0 HG LEU B 125 0.749 -4.083 6.471 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.617 -4.379 8.798 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.210 -5.407 8.436 1.00 0.00 H new ATOM 0 HD13 LEU B 125 1.844 -6.111 8.456 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.140 -3.708 7.157 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.511 -5.367 6.630 1.00 0.00 H new ATOM 0 HD23 LEU B 125 2.969 -4.157 5.444 1.00 0.00 H new ATOM 1095 N SER B 126 -0.729 -8.874 5.989 1.00 0.00 N ATOM 1096 CA SER B 126 -1.821 -9.640 5.361 1.00 0.00 C ATOM 1097 C SER B 126 -2.586 -8.803 4.323 1.00 0.00 C ATOM 1098 O SER B 126 -2.476 -7.575 4.285 1.00 0.00 O ATOM 1099 CB SER B 126 -2.791 -10.161 6.430 1.00 0.00 C ATOM 1100 OG SER B 126 -2.136 -11.035 7.340 1.00 0.00 O ATOM 0 H SER B 126 -0.909 -8.661 6.970 1.00 0.00 H new ATOM 0 HA SER B 126 -1.368 -10.484 4.840 1.00 0.00 H new ATOM 0 HB2 SER B 126 -3.220 -9.320 6.975 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.617 -10.685 5.950 1.00 0.00 H new ATOM 0 HG SER B 126 -2.778 -11.350 8.010 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.407 -9.455 3.489 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.102 -8.831 2.349 1.00 0.00 C ATOM 1108 C LYS B 127 -5.014 -7.655 2.727 1.00 0.00 C ATOM 1109 O LYS B 127 -5.064 -6.672 1.996 1.00 0.00 O ATOM 1110 CB LYS B 127 -4.868 -9.925 1.578 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.404 -9.499 0.200 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.293 -9.192 -0.818 1.00 0.00 C ATOM 1113 CE LYS B 127 -4.903 -8.972 -2.209 1.00 0.00 C ATOM 1114 NZ LYS B 127 -3.866 -8.737 -3.253 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.612 -10.449 3.587 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.342 -8.380 1.711 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.209 -10.783 1.445 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.706 -10.259 2.189 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -6.040 -10.291 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -6.032 -8.616 0.319 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -3.741 -8.304 -0.509 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -3.580 -10.016 -0.850 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -5.500 -9.842 -2.483 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -5.580 -8.119 -2.175 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -4.317 -8.363 -4.112 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -3.169 -8.050 -2.901 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -3.388 -9.633 -3.475 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.682 -7.707 3.881 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.471 -6.584 4.422 1.00 0.00 C ATOM 1130 C ASN B 128 -5.593 -5.483 5.060 1.00 0.00 C ATOM 1131 O ASN B 128 -5.886 -4.295 4.932 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.475 -7.170 5.432 1.00 0.00 C ATOM 1133 CG ASN B 128 -8.430 -6.117 5.975 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -9.129 -5.435 5.238 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -8.497 -5.945 7.278 1.00 0.00 N ATOM 0 H ASN B 128 -5.694 -8.535 4.477 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.995 -6.085 3.607 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -8.048 -7.964 4.953 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -6.931 -7.625 6.260 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -9.129 -5.246 7.668 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -7.917 -6.511 7.898 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.499 -5.865 5.726 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.597 -4.949 6.443 1.00 0.00 C ATOM 1144 C GLN B 129 -2.781 -4.056 5.493 1.00 0.00 C ATOM 1145 O GLN B 129 -2.632 -2.857 5.753 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.650 -5.762 7.338 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.361 -6.527 8.466 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.429 -7.476 9.223 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.414 -7.945 8.720 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.749 -7.831 10.450 1.00 0.00 N ATOM 0 H GLN B 129 -4.207 -6.840 5.785 1.00 0.00 H new ATOM 0 HA GLN B 129 -4.216 -4.287 7.048 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -2.103 -6.473 6.719 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.914 -5.089 7.777 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.791 -5.812 9.168 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -4.189 -7.098 8.045 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.589 -7.453 10.888 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -2.157 -8.484 10.963 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.292 -4.608 4.374 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.578 -3.834 3.346 1.00 0.00 C ATOM 1161 C LEU B 130 -2.478 -2.784 2.675 1.00 0.00 C ATOM 1162 O LEU B 130 -1.993 -1.720 2.280 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.888 -4.779 2.336 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.805 -5.657 1.454 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.285 -4.964 0.166 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -1.051 -6.928 1.059 1.00 0.00 C ATOM 0 H LEU B 130 -2.379 -5.600 4.155 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.792 -3.262 3.839 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.264 -4.174 1.678 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.220 -5.438 2.891 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.690 -5.871 2.053 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.923 -5.645 -0.397 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.849 -4.068 0.424 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.423 -4.688 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.692 -7.553 0.437 1.00 0.00 H new ATOM 0 HD22 LEU B 130 -0.153 -6.660 0.502 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.770 -7.478 1.957 1.00 0.00 H new ATOM 1178 N MET B 131 -3.796 -3.027 2.595 1.00 0.00 N ATOM 1179 CA MET B 131 -4.750 -2.036 2.085 1.00 0.00 C ATOM 1180 C MET B 131 -4.917 -0.863 3.054 1.00 0.00 C ATOM 1181 O MET B 131 -4.883 0.287 2.631 1.00 0.00 O ATOM 1182 CB MET B 131 -6.130 -2.652 1.835 1.00 0.00 C ATOM 1183 CG MET B 131 -6.163 -3.767 0.793 1.00 0.00 C ATOM 1184 SD MET B 131 -7.719 -4.697 0.841 1.00 0.00 S ATOM 1185 CE MET B 131 -7.337 -5.906 -0.445 1.00 0.00 C ATOM 0 H MET B 131 -4.225 -3.908 2.880 1.00 0.00 H new ATOM 0 HA MET B 131 -4.335 -1.677 1.143 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.511 -3.045 2.777 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.812 -1.862 1.520 1.00 0.00 H new ATOM 0 HG2 MET B 131 -6.027 -3.339 -0.200 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.329 -4.447 0.964 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.189 -6.572 -0.583 1.00 0.00 H new ATOM 0 HE2 MET B 131 -7.126 -5.388 -1.380 1.00 0.00 H new ATOM 0 HE3 MET B 131 -6.465 -6.489 -0.149 1.00 0.00 H new ATOM 1195 N ALA B 132 -5.051 -1.137 4.361 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.170 -0.111 5.394 1.00 0.00 C ATOM 1197 C ALA B 132 -3.914 0.783 5.471 1.00 0.00 C ATOM 1198 O ALA B 132 -4.033 2.005 5.606 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.463 -0.809 6.728 1.00 0.00 C ATOM 0 H ALA B 132 -5.079 -2.088 4.728 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.990 0.563 5.146 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.556 -0.062 7.517 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.394 -1.371 6.648 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.647 -1.491 6.969 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.721 0.199 5.313 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.456 0.938 5.222 1.00 0.00 C ATOM 1207 C LEU B 133 -1.411 1.848 3.982 1.00 0.00 C ATOM 1208 O LEU B 133 -1.134 3.045 4.102 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.298 -0.075 5.242 1.00 0.00 C ATOM 1210 CG LEU B 133 1.107 0.541 5.085 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.462 1.480 6.241 1.00 0.00 C ATOM 1212 CD2 LEU B 133 2.138 -0.587 5.049 1.00 0.00 C ATOM 0 H LEU B 133 -2.605 -0.812 5.244 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.362 1.606 6.078 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.334 -0.627 6.181 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.453 -0.798 4.441 1.00 0.00 H new ATOM 0 HG LEU B 133 1.112 1.121 4.162 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.460 1.888 6.085 1.00 0.00 H new ATOM 0 HD12 LEU B 133 0.739 2.295 6.283 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.439 0.926 7.180 1.00 0.00 H new ATOM 0 HD21 LEU B 133 3.136 -0.164 4.938 1.00 0.00 H new ATOM 0 HD22 LEU B 133 2.086 -1.157 5.977 1.00 0.00 H new ATOM 0 HD23 LEU B 133 1.927 -1.246 4.206 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.719 1.315 2.796 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.720 2.092 1.558 1.00 0.00 C ATOM 1226 C ALA B 134 -2.804 3.198 1.547 1.00 0.00 C ATOM 1227 O ALA B 134 -2.552 4.296 1.047 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.873 1.121 0.384 1.00 0.00 C ATOM 0 H ALA B 134 -1.974 0.335 2.670 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.774 2.627 1.471 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.876 1.680 -0.552 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -1.041 0.417 0.383 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.811 0.574 0.484 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.970 2.951 2.154 1.00 0.00 N ATOM 1235 CA LEU B 135 -5.038 3.941 2.361 1.00 0.00 C ATOM 1236 C LEU B 135 -4.569 5.081 3.280 1.00 0.00 C ATOM 1237 O LEU B 135 -4.737 6.256 2.950 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.280 3.190 2.897 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.627 3.934 2.970 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.672 5.127 3.920 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -8.089 4.402 1.597 1.00 0.00 C ATOM 0 H LEU B 135 -4.206 2.031 2.526 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.305 4.428 1.423 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.425 2.307 2.275 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.044 2.837 3.901 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.301 3.180 3.376 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.665 5.576 3.893 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.452 4.793 4.934 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -6.931 5.865 3.612 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -9.042 4.922 1.692 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.347 5.079 1.175 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -8.209 3.540 0.940 1.00 0.00 H new ATOM 1253 N LYS B 136 -3.918 4.752 4.406 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.340 5.724 5.353 1.00 0.00 C ATOM 1255 C LYS B 136 -2.258 6.600 4.711 1.00 0.00 C ATOM 1256 O LYS B 136 -2.196 7.797 4.982 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.828 4.965 6.594 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.345 5.905 7.714 1.00 0.00 C ATOM 1259 CD LYS B 136 -2.075 5.168 9.036 1.00 0.00 C ATOM 1260 CE LYS B 136 -0.974 4.106 8.923 1.00 0.00 C ATOM 1261 NZ LYS B 136 -0.710 3.444 10.226 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.774 3.783 4.692 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.118 6.422 5.661 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.625 4.329 6.979 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.010 4.308 6.300 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.434 6.409 7.391 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.095 6.679 7.881 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -1.793 5.894 9.798 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -2.996 4.693 9.374 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -1.266 3.357 8.187 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -0.057 4.570 8.559 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 0.040 2.733 10.109 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -0.407 4.155 10.922 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -1.578 2.979 10.562 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.444 6.036 3.815 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.504 6.785 2.969 1.00 0.00 C ATOM 1277 C LEU B 137 -1.234 7.678 1.949 1.00 0.00 C ATOM 1278 O LEU B 137 -0.848 8.837 1.778 1.00 0.00 O ATOM 1279 CB LEU B 137 0.435 5.782 2.263 1.00 0.00 C ATOM 1280 CG LEU B 137 1.802 5.597 2.943 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.735 5.247 4.435 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.541 4.469 2.226 1.00 0.00 C ATOM 0 H LEU B 137 -1.417 5.029 3.652 1.00 0.00 H new ATOM 0 HA LEU B 137 0.081 7.455 3.599 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -0.063 4.814 2.209 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.596 6.115 1.238 1.00 0.00 H new ATOM 0 HG LEU B 137 2.311 6.558 2.874 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.745 5.136 4.828 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.222 6.044 4.973 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.190 4.312 4.565 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.515 4.319 2.691 1.00 0.00 H new ATOM 0 HD22 LEU B 137 1.959 3.550 2.297 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.677 4.732 1.177 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.288 7.176 1.289 1.00 0.00 N ATOM 1295 CA LYS B 138 -3.062 7.897 0.265 1.00 0.00 C ATOM 1296 C LYS B 138 -3.755 9.140 0.819 1.00 0.00 C ATOM 1297 O LYS B 138 -3.588 10.223 0.260 1.00 0.00 O ATOM 1298 CB LYS B 138 -4.052 6.920 -0.397 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.923 7.509 -1.515 1.00 0.00 C ATOM 1300 CD LYS B 138 -4.120 8.115 -2.681 1.00 0.00 C ATOM 1301 CE LYS B 138 -4.938 8.170 -3.974 1.00 0.00 C ATOM 1302 NZ LYS B 138 -6.185 8.967 -3.845 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.636 6.232 1.457 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.374 8.271 -0.493 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.488 6.081 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.708 6.518 0.375 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.575 6.727 -1.904 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.567 8.280 -1.092 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -3.796 9.121 -2.414 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -3.219 7.524 -2.847 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.323 8.595 -4.767 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -5.193 7.155 -4.278 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -6.667 9.008 -4.765 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -6.812 8.520 -3.145 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -5.950 9.931 -3.534 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.488 9.025 1.932 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.211 10.159 2.531 1.00 0.00 C ATOM 1318 C GLN B 139 -4.266 11.299 2.974 1.00 0.00 C ATOM 1319 O GLN B 139 -4.617 12.473 2.852 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.124 9.667 3.668 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.373 9.124 4.894 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.286 8.725 6.051 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -6.233 9.277 7.141 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -7.167 7.761 5.872 1.00 0.00 N ATOM 0 H GLN B 139 -4.598 8.149 2.443 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.845 10.598 1.761 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -6.765 10.490 3.985 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.777 8.885 3.281 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -4.784 8.257 4.593 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -4.671 9.881 5.243 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -7.228 7.287 4.971 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -7.787 7.489 6.635 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.051 10.965 3.424 1.00 0.00 N ATOM 1334 CA GLN B 140 -2.042 11.939 3.858 1.00 0.00 C ATOM 1335 C GLN B 140 -1.499 12.806 2.713 1.00 0.00 C ATOM 1336 O GLN B 140 -1.364 14.022 2.878 1.00 0.00 O ATOM 1337 CB GLN B 140 -0.891 11.206 4.563 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.223 10.933 6.035 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.101 10.167 6.729 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.752 10.729 7.406 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.065 8.857 6.593 1.00 0.00 N ATOM 0 H GLN B 140 -2.736 9.998 3.498 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.535 12.623 4.549 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.690 10.264 4.053 1.00 0.00 H new ATOM 0 HB3 GLN B 140 0.018 11.804 4.498 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.394 11.877 6.552 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.149 10.362 6.100 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -0.772 8.383 6.031 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.670 8.317 7.050 1.00 0.00 H new