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 23 SER OG : rot 180:sc= 0.585 USER MOD Set 1.2: B 127 LYS NZ :NH3+ -124:sc= 0.64 (180deg=0.839) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -158:sc= 0.957 (180deg=0) USER MOD Set 2.2: A 41 GLN : amide:sc= 1.86 K(o=3.7,f=-1.4) USER MOD Set 2.3: B 140 GLN : amide:sc= 0.877 K(o=3.7,f=-1.4) USER MOD Set 3.1: A 27 LYS NZ :NH3+ -148:sc= 0.808 (180deg=1.11) USER MOD Set 3.2: B 123 SER OG : rot 180:sc= 0.512 USER MOD Set 4.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 28 ASN : amide:sc= 0 X(o=0,f=0.049) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.581 K(o=0.58,f=-4.1!) USER MOD Single : A 31 MET CE :methyl -166:sc= -0.298 (180deg=-0.458) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 40 GLN : amide:sc= 0.591 K(o=0.59,f=0) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 118 TYR OH : rot 30:sc= 0 USER MOD Single : B 120 SER OG : rot 75:sc= 0.844 USER MOD Single : B 126 SER OG : rot 180:sc=-0.00483 USER MOD Single : B 128 ASN : amide:sc= 0.15 K(o=0.15,f=-3.3!) USER MOD Single : B 129 GLN : amide:sc= 0.634 K(o=0.63,f=-4.2!) USER MOD Single : B 131 MET CE :methyl 178:sc= -0.0841 (180deg=-0.0958) 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= -0.267 X(o=-0.27,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N TRP A 14 -14.668 7.072 -2.021 1.00 0.00 N ATOM 165 CA TRP A 14 -13.365 6.861 -2.662 1.00 0.00 C ATOM 166 C TRP A 14 -12.507 5.803 -1.941 1.00 0.00 C ATOM 167 O TRP A 14 -11.689 5.141 -2.588 1.00 0.00 O ATOM 168 CB TRP A 14 -12.621 8.210 -2.755 1.00 0.00 C ATOM 169 CG TRP A 14 -11.972 8.699 -1.488 1.00 0.00 C ATOM 170 CD1 TRP A 14 -12.511 9.571 -0.603 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.661 8.342 -0.936 1.00 0.00 C ATOM 172 NE1 TRP A 14 -11.630 9.778 0.447 1.00 0.00 N ATOM 173 CE2 TRP A 14 -10.475 9.040 0.298 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.605 7.505 -1.359 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -9.309 8.920 1.069 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.432 7.367 -0.588 1.00 0.00 C ATOM 177 CH2 TRP A 14 -8.285 8.062 0.623 1.00 0.00 C ATOM 0 HA TRP A 14 -13.544 6.468 -3.663 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.852 8.125 -3.523 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -13.327 8.968 -3.093 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -13.481 10.035 -0.701 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.814 10.400 1.234 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.697 6.962 -2.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.199 9.476 1.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.639 6.720 -0.933 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -7.388 7.939 1.212 1.00 0.00 H new ATOM 188 N LYS A 15 -12.697 5.597 -0.629 1.00 0.00 N ATOM 189 CA LYS A 15 -11.954 4.596 0.163 1.00 0.00 C ATOM 190 C LYS A 15 -12.339 3.161 -0.210 1.00 0.00 C ATOM 191 O LYS A 15 -11.466 2.302 -0.298 1.00 0.00 O ATOM 192 CB LYS A 15 -12.159 4.840 1.666 1.00 0.00 C ATOM 193 CG LYS A 15 -11.663 6.226 2.117 1.00 0.00 C ATOM 194 CD LYS A 15 -11.835 6.395 3.633 1.00 0.00 C ATOM 195 CE LYS A 15 -11.352 7.781 4.071 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.781 8.102 5.457 1.00 0.00 N1+ ATOM 0 H LYS A 15 -13.376 6.124 -0.080 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.897 4.715 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.218 4.743 1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.633 4.069 2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.613 6.347 1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.218 7.005 1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.883 6.265 3.904 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.272 5.623 4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.265 7.824 4.008 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.741 8.535 3.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.435 9.048 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.819 8.086 5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.389 7.397 6.114 1.00 0.00 H new ATOM 210 N ASP A 16 -13.620 2.909 -0.481 1.00 0.00 N ATOM 211 CA ASP A 16 -14.108 1.595 -0.935 1.00 0.00 C ATOM 212 C ASP A 16 -13.558 1.238 -2.332 1.00 0.00 C ATOM 213 O ASP A 16 -13.159 0.099 -2.564 1.00 0.00 O ATOM 214 CB ASP A 16 -15.647 1.555 -0.929 1.00 0.00 C ATOM 215 CG ASP A 16 -16.312 1.740 0.453 1.00 0.00 C ATOM 216 OD1 ASP A 16 -15.660 1.551 1.510 1.00 0.00 O ATOM 217 OD2 ASP A 16 -17.529 2.045 0.480 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.356 3.610 -0.393 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.739 0.846 -0.234 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -16.016 2.333 -1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.970 0.600 -1.343 1.00 0.00 H new ATOM 222 N ASP A 17 -13.479 2.221 -3.240 1.00 0.00 N ATOM 223 CA ASP A 17 -12.814 2.083 -4.544 1.00 0.00 C ATOM 224 C ASP A 17 -11.311 1.789 -4.373 1.00 0.00 C ATOM 225 O ASP A 17 -10.789 0.852 -4.980 1.00 0.00 O ATOM 226 CB ASP A 17 -13.062 3.368 -5.358 1.00 0.00 C ATOM 227 CG ASP A 17 -12.392 3.447 -6.744 1.00 0.00 C ATOM 228 OD1 ASP A 17 -12.388 4.558 -7.325 1.00 0.00 O ATOM 229 OD2 ASP A 17 -11.884 2.433 -7.286 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.880 3.146 -3.088 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.231 1.234 -5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.137 3.484 -5.492 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.721 4.217 -4.766 1.00 0.00 H new ATOM 234 N TYR A 18 -10.624 2.522 -3.484 1.00 0.00 N ATOM 235 CA TYR A 18 -9.190 2.325 -3.237 1.00 0.00 C ATOM 236 C TYR A 18 -8.889 0.932 -2.646 1.00 0.00 C ATOM 237 O TYR A 18 -8.044 0.213 -3.176 1.00 0.00 O ATOM 238 CB TYR A 18 -8.629 3.469 -2.377 1.00 0.00 C ATOM 239 CG TYR A 18 -7.175 3.783 -2.667 1.00 0.00 C ATOM 240 CD1 TYR A 18 -6.842 4.385 -3.898 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.156 3.482 -1.741 1.00 0.00 C ATOM 242 CE1 TYR A 18 -5.501 4.647 -4.223 1.00 0.00 C ATOM 243 CE2 TYR A 18 -4.808 3.757 -2.056 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.478 4.317 -3.312 1.00 0.00 C ATOM 245 OH TYR A 18 -3.182 4.535 -3.657 1.00 0.00 O ATOM 0 H TYR A 18 -11.044 3.262 -2.921 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.674 2.355 -4.197 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.227 4.365 -2.543 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.733 3.207 -1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.624 4.646 -4.596 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.407 3.040 -0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.254 5.101 -5.171 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.030 3.540 -1.339 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.130 5.299 -4.269 1.00 0.00 H new ATOM 255 N LEU A 19 -9.631 0.482 -1.628 1.00 0.00 N ATOM 256 CA LEU A 19 -9.503 -0.869 -1.062 1.00 0.00 C ATOM 257 C LEU A 19 -9.816 -1.964 -2.098 1.00 0.00 C ATOM 258 O LEU A 19 -9.101 -2.968 -2.167 1.00 0.00 O ATOM 259 CB LEU A 19 -10.403 -0.997 0.189 1.00 0.00 C ATOM 260 CG LEU A 19 -9.667 -0.710 1.511 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.989 0.657 1.589 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.630 -0.826 2.694 1.00 0.00 C ATOM 0 H LEU A 19 -10.344 1.049 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.465 -1.018 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.243 -0.309 0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.819 -2.004 0.226 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.879 -1.461 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.498 0.765 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.247 0.741 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.737 1.441 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.094 -0.620 3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.440 -0.106 2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.043 -1.834 2.730 1.00 0.00 H new ATOM 274 N SER A 20 -10.833 -1.773 -2.944 1.00 0.00 N ATOM 275 CA SER A 20 -11.183 -2.722 -4.013 1.00 0.00 C ATOM 276 C SER A 20 -10.073 -2.859 -5.064 1.00 0.00 C ATOM 277 O SER A 20 -9.641 -3.975 -5.362 1.00 0.00 O ATOM 278 CB SER A 20 -12.506 -2.309 -4.670 1.00 0.00 C ATOM 279 OG SER A 20 -12.884 -3.217 -5.690 1.00 0.00 O ATOM 0 H SER A 20 -11.440 -0.954 -2.909 1.00 0.00 H new ATOM 0 HA SER A 20 -11.300 -3.703 -3.553 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.290 -2.262 -3.914 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.408 -1.308 -5.090 1.00 0.00 H new ATOM 0 HG SER A 20 -13.731 -2.927 -6.088 1.00 0.00 H new ATOM 285 N ARG A 21 -9.553 -1.741 -5.598 1.00 0.00 N ATOM 286 CA ARG A 21 -8.520 -1.753 -6.652 1.00 0.00 C ATOM 287 C ARG A 21 -7.136 -2.188 -6.158 1.00 0.00 C ATOM 288 O ARG A 21 -6.420 -2.860 -6.897 1.00 0.00 O ATOM 289 CB ARG A 21 -8.507 -0.399 -7.386 1.00 0.00 C ATOM 290 CG ARG A 21 -7.759 0.734 -6.662 1.00 0.00 C ATOM 291 CD ARG A 21 -8.158 2.121 -7.176 1.00 0.00 C ATOM 292 NE ARG A 21 -7.863 2.301 -8.610 1.00 0.00 N ATOM 293 CZ ARG A 21 -8.731 2.405 -9.604 1.00 0.00 C ATOM 294 NH1 ARG A 21 -10.025 2.354 -9.441 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -8.294 2.565 -10.820 1.00 0.00 N ATOM 0 H ARG A 21 -9.836 -0.803 -5.313 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.791 -2.527 -7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.055 -0.541 -8.368 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.537 -0.084 -7.552 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.962 0.674 -5.593 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.685 0.597 -6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.224 2.275 -7.006 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.631 2.883 -6.602 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.877 2.351 -8.865 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.417 2.228 -8.508 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.644 2.440 -10.247 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.291 2.609 -11.000 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.955 2.646 -11.593 1.00 0.00 H new ATOM 309 N LEU A 22 -6.796 -1.904 -4.898 1.00 0.00 N ATOM 310 CA LEU A 22 -5.567 -2.388 -4.243 1.00 0.00 C ATOM 311 C LEU A 22 -5.496 -3.925 -4.168 1.00 0.00 C ATOM 312 O LEU A 22 -4.406 -4.492 -4.263 1.00 0.00 O ATOM 313 CB LEU A 22 -5.454 -1.770 -2.833 1.00 0.00 C ATOM 314 CG LEU A 22 -4.593 -0.490 -2.741 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.777 0.552 -3.847 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.881 0.182 -1.398 1.00 0.00 C ATOM 0 H LEU A 22 -7.373 -1.322 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.723 -2.070 -4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.457 -1.540 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.037 -2.518 -2.159 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.566 -0.836 -2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.115 1.399 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.535 0.105 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.812 0.895 -3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.284 1.089 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.939 0.437 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.626 -0.501 -0.587 1.00 0.00 H new ATOM 328 N SER A 23 -6.641 -4.603 -4.063 1.00 0.00 N ATOM 329 CA SER A 23 -6.731 -6.077 -4.064 1.00 0.00 C ATOM 330 C SER A 23 -6.243 -6.732 -5.366 1.00 0.00 C ATOM 331 O SER A 23 -5.841 -7.902 -5.359 1.00 0.00 O ATOM 332 CB SER A 23 -8.176 -6.512 -3.784 1.00 0.00 C ATOM 333 OG SER A 23 -8.220 -7.880 -3.403 1.00 0.00 O ATOM 0 H SER A 23 -7.547 -4.144 -3.973 1.00 0.00 H new ATOM 0 HA SER A 23 -6.062 -6.420 -3.275 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.601 -5.894 -2.993 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.787 -6.356 -4.673 1.00 0.00 H new ATOM 0 HG SER A 23 -9.148 -8.141 -3.227 1.00 0.00 H new ATOM 339 N ARG A 24 -6.265 -5.993 -6.490 1.00 0.00 N ATOM 340 CA ARG A 24 -5.934 -6.494 -7.838 1.00 0.00 C ATOM 341 C ARG A 24 -4.427 -6.613 -8.103 1.00 0.00 C ATOM 342 O ARG A 24 -4.034 -7.367 -8.999 1.00 0.00 O ATOM 343 CB ARG A 24 -6.581 -5.582 -8.904 1.00 0.00 C ATOM 344 CG ARG A 24 -8.099 -5.359 -8.744 1.00 0.00 C ATOM 345 CD ARG A 24 -8.927 -6.649 -8.675 1.00 0.00 C ATOM 346 NE ARG A 24 -8.791 -7.466 -9.898 1.00 0.00 N ATOM 347 CZ ARG A 24 -9.235 -8.697 -10.083 1.00 0.00 C ATOM 348 NH1 ARG A 24 -9.882 -9.352 -9.161 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -9.030 -9.304 -11.218 1.00 0.00 N ATOM 0 H ARG A 24 -6.520 -5.005 -6.487 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.336 -7.505 -7.898 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.083 -4.613 -8.880 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.395 -6.012 -9.888 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.275 -4.780 -7.837 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.455 -4.758 -9.580 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.612 -7.235 -7.812 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.977 -6.397 -8.523 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.303 -7.035 -10.683 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.062 -8.916 -8.257 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.208 -10.301 -9.343 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.526 -8.829 -11.967 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.374 -10.254 -11.358 1.00 0.00 H new ATOM 363 N LEU A 25 -3.586 -5.882 -7.369 1.00 0.00 N ATOM 364 CA LEU A 25 -2.130 -5.872 -7.550 1.00 0.00 C ATOM 365 C LEU A 25 -1.461 -7.174 -7.069 1.00 0.00 C ATOM 366 O LEU A 25 -1.852 -7.769 -6.062 1.00 0.00 O ATOM 367 CB LEU A 25 -1.494 -4.653 -6.839 1.00 0.00 C ATOM 368 CG LEU A 25 -1.681 -3.244 -7.449 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.720 -3.211 -8.978 1.00 0.00 C ATOM 370 CD2 LEU A 25 -2.925 -2.551 -6.906 1.00 0.00 C ATOM 0 H LEU A 25 -3.902 -5.268 -6.618 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.953 -5.795 -8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.885 -4.625 -5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.423 -4.839 -6.764 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.786 -2.704 -7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.854 -2.184 -9.316 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.784 -3.605 -9.374 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.550 -3.821 -9.334 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.019 -1.564 -7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.806 -3.146 -7.145 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.840 -2.446 -5.824 1.00 0.00 H new ATOM 382 N SER A 26 -0.393 -7.575 -7.767 1.00 0.00 N ATOM 383 CA SER A 26 0.579 -8.577 -7.305 1.00 0.00 C ATOM 384 C SER A 26 1.369 -8.079 -6.080 1.00 0.00 C ATOM 385 O SER A 26 1.435 -6.871 -5.819 1.00 0.00 O ATOM 386 CB SER A 26 1.535 -8.922 -8.461 1.00 0.00 C ATOM 387 OG SER A 26 2.455 -9.938 -8.094 1.00 0.00 O ATOM 0 H SER A 26 -0.174 -7.204 -8.691 1.00 0.00 H new ATOM 0 HA SER A 26 0.037 -9.471 -6.996 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.958 -9.249 -9.326 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.081 -8.028 -8.761 1.00 0.00 H new ATOM 0 HG SER A 26 3.046 -10.134 -8.851 1.00 0.00 H new ATOM 393 N LYS A 27 2.016 -8.988 -5.337 1.00 0.00 N ATOM 394 CA LYS A 27 2.793 -8.688 -4.118 1.00 0.00 C ATOM 395 C LYS A 27 3.906 -7.656 -4.349 1.00 0.00 C ATOM 396 O LYS A 27 4.124 -6.780 -3.513 1.00 0.00 O ATOM 397 CB LYS A 27 3.347 -10.010 -3.547 1.00 0.00 C ATOM 398 CG LYS A 27 3.736 -9.928 -2.059 1.00 0.00 C ATOM 399 CD LYS A 27 2.522 -9.981 -1.119 1.00 0.00 C ATOM 400 CE LYS A 27 2.880 -9.686 0.346 1.00 0.00 C ATOM 401 NZ LYS A 27 3.821 -10.681 0.924 1.00 0.00 N1+ ATOM 0 H LYS A 27 2.015 -9.981 -5.571 1.00 0.00 H new ATOM 0 HA LYS A 27 2.125 -8.224 -3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.599 -10.792 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.221 -10.307 -4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.411 -10.750 -1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.285 -9.003 -1.883 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.777 -9.261 -1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.063 -10.968 -1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.323 -8.693 0.413 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.967 -9.669 0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.626 -10.794 1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.698 -11.595 0.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.799 -10.351 0.794 1.00 0.00 H new ATOM 415 N ASN A 28 4.573 -7.705 -5.509 1.00 0.00 N ATOM 416 CA ASN A 28 5.593 -6.717 -5.890 1.00 0.00 C ATOM 417 C ASN A 28 4.988 -5.357 -6.306 1.00 0.00 C ATOM 418 O ASN A 28 5.582 -4.306 -6.061 1.00 0.00 O ATOM 419 CB ASN A 28 6.504 -7.320 -6.981 1.00 0.00 C ATOM 420 CG ASN A 28 5.909 -7.315 -8.385 1.00 0.00 C ATOM 421 OD1 ASN A 28 6.038 -6.358 -9.137 1.00 0.00 O ATOM 422 ND2 ASN A 28 5.230 -8.367 -8.782 1.00 0.00 N ATOM 0 H ASN A 28 4.422 -8.430 -6.210 1.00 0.00 H new ATOM 0 HA ASN A 28 6.199 -6.493 -5.012 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.443 -6.766 -6.997 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.744 -8.347 -6.707 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.813 -8.384 -9.713 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.119 -9.167 -8.159 1.00 0.00 H new ATOM 429 N GLN A 29 3.791 -5.365 -6.902 1.00 0.00 N ATOM 430 CA GLN A 29 3.099 -4.168 -7.402 1.00 0.00 C ATOM 431 C GLN A 29 2.473 -3.342 -6.267 1.00 0.00 C ATOM 432 O GLN A 29 2.586 -2.116 -6.267 1.00 0.00 O ATOM 433 CB GLN A 29 2.033 -4.586 -8.428 1.00 0.00 C ATOM 434 CG GLN A 29 2.626 -5.180 -9.714 1.00 0.00 C ATOM 435 CD GLN A 29 1.572 -5.805 -10.631 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.481 -6.182 -10.222 1.00 0.00 O ATOM 437 NE2 GLN A 29 1.861 -5.959 -11.907 1.00 0.00 N ATOM 0 H GLN A 29 3.262 -6.224 -7.055 1.00 0.00 H new ATOM 0 HA GLN A 29 3.837 -3.526 -7.883 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.367 -5.318 -7.972 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.425 -3.718 -8.684 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.154 -4.397 -10.259 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.364 -5.938 -9.450 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.765 -5.651 -12.266 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.181 -6.386 -12.536 1.00 0.00 H new ATOM 446 N LEU A 30 1.869 -3.991 -5.262 1.00 0.00 N ATOM 447 CA LEU A 30 1.365 -3.299 -4.063 1.00 0.00 C ATOM 448 C LEU A 30 2.506 -2.696 -3.225 1.00 0.00 C ATOM 449 O LEU A 30 2.336 -1.616 -2.661 1.00 0.00 O ATOM 450 CB LEU A 30 0.421 -4.216 -3.253 1.00 0.00 C ATOM 451 CG LEU A 30 1.008 -5.525 -2.693 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.676 -5.373 -1.320 1.00 0.00 C ATOM 453 CD2 LEU A 30 -0.104 -6.568 -2.568 1.00 0.00 C ATOM 0 H LEU A 30 1.716 -4.999 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 30 0.766 -2.448 -4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.028 -3.639 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.426 -4.472 -3.889 1.00 0.00 H new ATOM 0 HG LEU A 30 1.781 -5.832 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.064 -6.339 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.496 -4.658 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.944 -5.014 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.310 -7.495 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.876 -6.198 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.539 -6.755 -3.550 1.00 0.00 H new ATOM 465 N MET A 31 3.682 -3.339 -3.210 1.00 0.00 N ATOM 466 CA MET A 31 4.887 -2.770 -2.595 1.00 0.00 C ATOM 467 C MET A 31 5.394 -1.553 -3.368 1.00 0.00 C ATOM 468 O MET A 31 5.677 -0.528 -2.750 1.00 0.00 O ATOM 469 CB MET A 31 5.991 -3.834 -2.484 1.00 0.00 C ATOM 470 CG MET A 31 5.850 -4.641 -1.189 1.00 0.00 C ATOM 471 SD MET A 31 7.251 -5.737 -0.850 1.00 0.00 S ATOM 472 CE MET A 31 6.801 -7.155 -1.870 1.00 0.00 C ATOM 0 H MET A 31 3.823 -4.262 -3.621 1.00 0.00 H new ATOM 0 HA MET A 31 4.618 -2.437 -1.593 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.942 -4.505 -3.342 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.969 -3.353 -2.512 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.731 -3.951 -0.354 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.939 -5.238 -1.242 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.415 -8.012 -1.593 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.750 -7.396 -1.714 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.966 -6.915 -2.920 1.00 0.00 H new ATOM 482 N ALA A 32 5.458 -1.617 -4.700 1.00 0.00 N ATOM 483 CA ALA A 32 5.854 -0.483 -5.538 1.00 0.00 C ATOM 484 C ALA A 32 4.897 0.715 -5.372 1.00 0.00 C ATOM 485 O ALA A 32 5.351 1.855 -5.258 1.00 0.00 O ATOM 486 CB ALA A 32 5.940 -0.955 -6.996 1.00 0.00 C ATOM 0 H ALA A 32 5.236 -2.460 -5.230 1.00 0.00 H new ATOM 0 HA ALA A 32 6.834 -0.125 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.234 -0.120 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.680 -1.751 -7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.967 -1.329 -7.315 1.00 0.00 H new ATOM 492 N LEU A 33 3.581 0.470 -5.299 1.00 0.00 N ATOM 493 CA LEU A 33 2.565 1.500 -5.052 1.00 0.00 C ATOM 494 C LEU A 33 2.717 2.157 -3.673 1.00 0.00 C ATOM 495 O LEU A 33 2.743 3.383 -3.575 1.00 0.00 O ATOM 496 CB LEU A 33 1.173 0.871 -5.238 1.00 0.00 C ATOM 497 CG LEU A 33 -0.010 1.822 -4.975 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.045 2.998 -5.950 1.00 0.00 C ATOM 499 CD2 LEU A 33 -1.318 1.042 -5.111 1.00 0.00 C ATOM 0 H LEU A 33 3.188 -0.464 -5.412 1.00 0.00 H new ATOM 0 HA LEU A 33 2.699 2.307 -5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.095 0.491 -6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.086 0.013 -4.571 1.00 0.00 H new ATOM 0 HG LEU A 33 0.114 2.223 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.898 3.636 -5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.875 3.575 -5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.137 2.623 -6.969 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.160 1.709 -4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.394 0.632 -6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.334 0.228 -4.386 1.00 0.00 H new ATOM 511 N ALA A 34 2.862 1.362 -2.610 1.00 0.00 N ATOM 512 CA ALA A 34 3.027 1.878 -1.253 1.00 0.00 C ATOM 513 C ALA A 34 4.362 2.635 -1.078 1.00 0.00 C ATOM 514 O ALA A 34 4.401 3.683 -0.432 1.00 0.00 O ATOM 515 CB ALA A 34 2.891 0.705 -0.275 1.00 0.00 C ATOM 0 H ALA A 34 2.868 0.344 -2.668 1.00 0.00 H new ATOM 0 HA ALA A 34 2.250 2.614 -1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.011 1.067 0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.906 0.251 -0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.659 -0.038 -0.489 1.00 0.00 H new ATOM 521 N LEU A 35 5.442 2.167 -1.715 1.00 0.00 N ATOM 522 CA LEU A 35 6.745 2.850 -1.762 1.00 0.00 C ATOM 523 C LEU A 35 6.639 4.194 -2.501 1.00 0.00 C ATOM 524 O LEU A 35 7.105 5.219 -1.992 1.00 0.00 O ATOM 525 CB LEU A 35 7.774 1.884 -2.391 1.00 0.00 C ATOM 526 CG LEU A 35 9.268 2.252 -2.347 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.655 3.477 -3.176 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.764 2.432 -0.915 1.00 0.00 C ATOM 0 H LEU A 35 5.437 1.283 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 35 7.083 3.102 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.659 0.917 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.500 1.747 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 35 9.761 1.397 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.726 3.657 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.407 3.301 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.108 4.348 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.823 2.691 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.200 3.230 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.624 1.503 -0.362 1.00 0.00 H new ATOM 540 N LYS A 36 5.966 4.225 -3.659 1.00 0.00 N ATOM 541 CA LYS A 36 5.686 5.449 -4.434 1.00 0.00 C ATOM 542 C LYS A 36 4.899 6.473 -3.613 1.00 0.00 C ATOM 543 O LYS A 36 5.236 7.654 -3.614 1.00 0.00 O ATOM 544 CB LYS A 36 4.964 5.074 -5.739 1.00 0.00 C ATOM 545 CG LYS A 36 4.720 6.288 -6.649 1.00 0.00 C ATOM 546 CD LYS A 36 4.165 5.895 -8.031 1.00 0.00 C ATOM 547 CE LYS A 36 2.785 5.231 -7.948 1.00 0.00 C ATOM 548 NZ LYS A 36 2.242 4.935 -9.302 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.591 3.383 -4.096 1.00 0.00 H new ATOM 0 HA LYS A 36 6.631 5.930 -4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.556 4.334 -6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.009 4.606 -5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.021 6.967 -6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.655 6.833 -6.779 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.099 6.784 -8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.863 5.214 -8.518 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.858 4.307 -7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.096 5.885 -7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.308 4.487 -9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.150 5.820 -9.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.888 4.291 -9.802 1.00 0.00 H new ATOM 562 N LEU A 37 3.893 6.039 -2.857 1.00 0.00 N ATOM 563 CA LEU A 37 3.155 6.898 -1.922 1.00 0.00 C ATOM 564 C LEU A 37 4.040 7.398 -0.768 1.00 0.00 C ATOM 565 O LEU A 37 3.941 8.570 -0.397 1.00 0.00 O ATOM 566 CB LEU A 37 1.941 6.118 -1.390 1.00 0.00 C ATOM 567 CG LEU A 37 0.616 6.394 -2.118 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.708 6.343 -3.647 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.405 5.358 -1.646 1.00 0.00 C ATOM 0 H LEU A 37 3.561 5.075 -2.873 1.00 0.00 H new ATOM 0 HA LEU A 37 2.820 7.788 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.158 5.052 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.813 6.353 -0.334 1.00 0.00 H new ATOM 0 HG LEU A 37 0.324 7.415 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.272 6.549 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.421 7.091 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.040 5.353 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.357 5.531 -2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.045 4.357 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.542 5.447 -0.568 1.00 0.00 H new ATOM 581 N LYS A 38 4.918 6.542 -0.224 1.00 0.00 N ATOM 582 CA LYS A 38 5.803 6.911 0.895 1.00 0.00 C ATOM 583 C LYS A 38 6.827 7.976 0.494 1.00 0.00 C ATOM 584 O LYS A 38 6.954 8.979 1.193 1.00 0.00 O ATOM 585 CB LYS A 38 6.478 5.656 1.486 1.00 0.00 C ATOM 586 CG LYS A 38 7.165 5.899 2.840 1.00 0.00 C ATOM 587 CD LYS A 38 6.181 6.386 3.918 1.00 0.00 C ATOM 588 CE LYS A 38 6.814 6.444 5.304 1.00 0.00 C ATOM 589 NZ LYS A 38 5.825 6.923 6.310 1.00 0.00 N1+ ATOM 0 H LYS A 38 5.036 5.580 -0.543 1.00 0.00 H new ATOM 0 HA LYS A 38 5.186 7.360 1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.728 4.874 1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.217 5.284 0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.639 4.976 3.175 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.957 6.637 2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.813 7.376 3.649 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.318 5.721 3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.178 5.456 5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.677 7.109 5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.328 7.309 7.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.232 7.666 5.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.224 6.129 6.611 1.00 0.00 H new ATOM 603 N GLN A 39 7.504 7.819 -0.645 1.00 0.00 N ATOM 604 CA GLN A 39 8.449 8.836 -1.121 1.00 0.00 C ATOM 605 C GLN A 39 7.748 10.172 -1.448 1.00 0.00 C ATOM 606 O GLN A 39 8.305 11.234 -1.170 1.00 0.00 O ATOM 607 CB GLN A 39 9.312 8.306 -2.287 1.00 0.00 C ATOM 608 CG GLN A 39 8.563 8.093 -3.603 1.00 0.00 C ATOM 609 CD GLN A 39 9.502 7.661 -4.725 1.00 0.00 C ATOM 610 OE1 GLN A 39 10.114 8.472 -5.409 1.00 0.00 O ATOM 611 NE2 GLN A 39 9.673 6.373 -4.955 1.00 0.00 N ATOM 0 H GLN A 39 7.418 7.004 -1.253 1.00 0.00 H new ATOM 0 HA GLN A 39 9.136 9.053 -0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.129 9.006 -2.461 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.761 7.360 -1.985 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.791 7.336 -3.464 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.057 9.016 -3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.171 5.684 -4.395 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.307 6.066 -5.693 1.00 0.00 H new ATOM 620 N GLN A 40 6.500 10.153 -1.942 1.00 0.00 N ATOM 621 CA GLN A 40 5.689 11.360 -2.128 1.00 0.00 C ATOM 622 C GLN A 40 5.482 12.135 -0.813 1.00 0.00 C ATOM 623 O GLN A 40 5.786 13.331 -0.765 1.00 0.00 O ATOM 624 CB GLN A 40 4.332 10.975 -2.746 1.00 0.00 C ATOM 625 CG GLN A 40 4.126 11.586 -4.133 1.00 0.00 C ATOM 626 CD GLN A 40 5.086 11.099 -5.220 1.00 0.00 C ATOM 627 OE1 GLN A 40 5.701 11.882 -5.939 1.00 0.00 O ATOM 628 NE2 GLN A 40 5.257 9.809 -5.409 1.00 0.00 N ATOM 0 H GLN A 40 6.026 9.295 -2.224 1.00 0.00 H new ATOM 0 HA GLN A 40 6.228 12.025 -2.803 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.264 9.889 -2.817 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.529 11.303 -2.085 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.106 11.377 -4.454 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.218 12.669 -4.050 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.758 9.138 -4.825 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.889 9.480 -6.139 1.00 0.00 H new ATOM 637 N GLN A 41 5.017 11.485 0.262 1.00 0.00 N ATOM 638 CA GLN A 41 4.760 12.182 1.531 1.00 0.00 C ATOM 639 C GLN A 41 6.047 12.628 2.257 1.00 0.00 C ATOM 640 O GLN A 41 6.008 13.591 3.027 1.00 0.00 O ATOM 641 CB GLN A 41 3.831 11.351 2.431 1.00 0.00 C ATOM 642 CG GLN A 41 4.446 10.029 2.916 1.00 0.00 C ATOM 643 CD GLN A 41 3.660 9.388 4.058 1.00 0.00 C ATOM 644 OE1 GLN A 41 4.203 8.985 5.080 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.353 9.272 3.941 1.00 0.00 N ATOM 0 H GLN A 41 4.812 10.486 0.280 1.00 0.00 H new ATOM 0 HA GLN A 41 4.243 13.109 1.285 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.552 11.949 3.298 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.913 11.134 1.885 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.497 9.331 2.081 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.470 10.210 3.244 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.885 9.602 3.097 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.809 8.852 4.694 1.00 0.00 H new ATOM 901 N LYS B 115 14.400 2.489 1.498 1.00 0.00 N ATOM 902 CA LYS B 115 13.465 1.846 0.560 1.00 0.00 C ATOM 903 C LYS B 115 13.542 0.319 0.598 1.00 0.00 C ATOM 904 O LYS B 115 12.516 -0.352 0.475 1.00 0.00 O ATOM 905 CB LYS B 115 13.756 2.356 -0.859 1.00 0.00 C ATOM 906 CG LYS B 115 13.549 3.874 -0.982 1.00 0.00 C ATOM 907 CD LYS B 115 13.816 4.366 -2.413 1.00 0.00 C ATOM 908 CE LYS B 115 13.554 5.877 -2.489 1.00 0.00 C ATOM 909 NZ LYS B 115 13.874 6.417 -3.836 1.00 0.00 N1+ ATOM 0 HA LYS B 115 12.452 2.112 0.863 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.782 2.107 -1.130 1.00 0.00 H new ATOM 0 HB3 LYS B 115 13.106 1.843 -1.568 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.529 4.127 -0.694 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.214 4.390 -0.289 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.846 4.149 -2.698 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.173 3.838 -3.117 1.00 0.00 H new ATOM 0 HE2 LYS B 115 12.509 6.079 -2.254 1.00 0.00 H new ATOM 0 HE3 LYS B 115 14.155 6.390 -1.738 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 13.686 7.440 -3.854 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 14.877 6.246 -4.049 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.283 5.944 -4.549 1.00 0.00 H new ATOM 923 N ASP B 116 14.738 -0.234 0.810 1.00 0.00 N ATOM 924 CA ASP B 116 14.955 -1.682 0.935 1.00 0.00 C ATOM 925 C ASP B 116 14.292 -2.247 2.202 1.00 0.00 C ATOM 926 O ASP B 116 13.591 -3.259 2.152 1.00 0.00 O ATOM 927 CB ASP B 116 16.474 -1.956 0.941 1.00 0.00 C ATOM 928 CG ASP B 116 16.831 -3.451 0.913 1.00 0.00 C ATOM 929 OD1 ASP B 116 17.883 -3.823 1.485 1.00 0.00 O ATOM 930 OD2 ASP B 116 16.111 -4.258 0.273 1.00 0.00 O1- ATOM 0 H ASP B 116 15.594 0.314 0.901 1.00 0.00 H new ATOM 0 HA ASP B 116 14.492 -2.185 0.086 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.926 -1.467 0.078 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.913 -1.503 1.830 1.00 0.00 H new ATOM 935 N ASP B 117 14.430 -1.554 3.339 1.00 0.00 N ATOM 936 CA ASP B 117 13.722 -1.891 4.586 1.00 0.00 C ATOM 937 C ASP B 117 12.202 -1.712 4.442 1.00 0.00 C ATOM 938 O ASP B 117 11.440 -2.531 4.962 1.00 0.00 O ATOM 939 CB ASP B 117 14.254 -1.032 5.744 1.00 0.00 C ATOM 940 CG ASP B 117 13.520 -1.347 7.060 1.00 0.00 C ATOM 941 OD1 ASP B 117 12.588 -0.595 7.441 1.00 0.00 O ATOM 942 OD2 ASP B 117 13.881 -2.347 7.729 1.00 0.00 O1- ATOM 0 H ASP B 117 15.038 -0.739 3.423 1.00 0.00 H new ATOM 0 HA ASP B 117 13.910 -2.942 4.803 1.00 0.00 H new ATOM 0 HB2 ASP B 117 15.322 -1.209 5.870 1.00 0.00 H new ATOM 0 HB3 ASP B 117 14.133 0.024 5.502 1.00 0.00 H new ATOM 947 N TYR B 118 11.748 -0.694 3.703 1.00 0.00 N ATOM 948 CA TYR B 118 10.317 -0.454 3.501 1.00 0.00 C ATOM 949 C TYR B 118 9.667 -1.578 2.680 1.00 0.00 C ATOM 950 O TYR B 118 8.641 -2.113 3.092 1.00 0.00 O ATOM 951 CB TYR B 118 10.088 0.941 2.905 1.00 0.00 C ATOM 952 CG TYR B 118 8.758 1.542 3.320 1.00 0.00 C ATOM 953 CD1 TYR B 118 8.575 1.902 4.666 1.00 0.00 C ATOM 954 CD2 TYR B 118 7.716 1.735 2.394 1.00 0.00 C ATOM 955 CE1 TYR B 118 7.340 2.417 5.108 1.00 0.00 C ATOM 956 CE2 TYR B 118 6.482 2.265 2.826 1.00 0.00 C ATOM 957 CZ TYR B 118 6.284 2.588 4.188 1.00 0.00 C ATOM 958 OH TYR B 118 5.081 3.051 4.613 1.00 0.00 O ATOM 0 H TYR B 118 12.354 -0.021 3.234 1.00 0.00 H new ATOM 0 HA TYR B 118 9.818 -0.471 4.470 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.895 1.603 3.219 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.131 0.879 1.818 1.00 0.00 H new ATOM 0 HD1 TYR B 118 9.388 1.783 5.367 1.00 0.00 H new ATOM 0 HD2 TYR B 118 7.861 1.478 1.355 1.00 0.00 H new ATOM 0 HE1 TYR B 118 7.202 2.680 6.146 1.00 0.00 H new ATOM 0 HE2 TYR B 118 5.686 2.425 2.114 1.00 0.00 H new ATOM 0 HH TYR B 118 5.212 3.641 5.385 1.00 0.00 H new ATOM 968 N LEU B 119 10.291 -2.039 1.591 1.00 0.00 N ATOM 969 CA LEU B 119 9.837 -3.245 0.881 1.00 0.00 C ATOM 970 C LEU B 119 9.886 -4.491 1.787 1.00 0.00 C ATOM 971 O LEU B 119 8.931 -5.270 1.810 1.00 0.00 O ATOM 972 CB LEU B 119 10.679 -3.436 -0.398 1.00 0.00 C ATOM 973 CG LEU B 119 10.022 -2.843 -1.658 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.747 -1.342 -1.574 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.902 -3.099 -2.886 1.00 0.00 C ATOM 0 H LEU B 119 11.113 -1.597 1.180 1.00 0.00 H new ATOM 0 HA LEU B 119 8.793 -3.113 0.596 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.655 -2.972 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.852 -4.501 -0.554 1.00 0.00 H new ATOM 0 HG LEU B 119 9.059 -3.347 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU B 119 9.284 -1.004 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU B 119 9.076 -1.141 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.685 -0.808 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.426 -2.675 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.876 -2.632 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU B 119 11.031 -4.173 -3.024 1.00 0.00 H new ATOM 987 N SER B 120 10.952 -4.670 2.574 1.00 0.00 N ATOM 988 CA SER B 120 11.094 -5.825 3.477 1.00 0.00 C ATOM 989 C SER B 120 9.977 -5.910 4.528 1.00 0.00 C ATOM 990 O SER B 120 9.477 -7.004 4.800 1.00 0.00 O ATOM 991 CB SER B 120 12.455 -5.816 4.185 1.00 0.00 C ATOM 992 OG SER B 120 13.523 -5.900 3.257 1.00 0.00 O ATOM 0 H SER B 120 11.740 -4.023 2.606 1.00 0.00 H new ATOM 0 HA SER B 120 11.018 -6.705 2.839 1.00 0.00 H new ATOM 0 HB2 SER B 120 12.554 -4.904 4.774 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.510 -6.653 4.881 1.00 0.00 H new ATOM 0 HG SER B 120 13.637 -5.035 2.810 1.00 0.00 H new ATOM 998 N ARG B 121 9.551 -4.774 5.099 1.00 0.00 N ATOM 999 CA ARG B 121 8.490 -4.719 6.127 1.00 0.00 C ATOM 1000 C ARG B 121 7.072 -4.730 5.547 1.00 0.00 C ATOM 1001 O ARG B 121 6.192 -5.360 6.127 1.00 0.00 O ATOM 1002 CB ARG B 121 8.754 -3.549 7.097 1.00 0.00 C ATOM 1003 CG ARG B 121 8.296 -2.167 6.602 1.00 0.00 C ATOM 1004 CD ARG B 121 8.975 -1.021 7.367 1.00 0.00 C ATOM 1005 NE ARG B 121 8.694 -1.069 8.812 1.00 0.00 N ATOM 1006 CZ ARG B 121 9.566 -0.995 9.807 1.00 0.00 C ATOM 1007 NH1 ARG B 121 10.852 -0.859 9.631 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 9.143 -1.058 11.037 1.00 0.00 N ATOM 0 H ARG B 121 9.933 -3.858 4.862 1.00 0.00 H new ATOM 0 HA ARG B 121 8.538 -5.643 6.703 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.254 -3.762 8.042 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.823 -3.506 7.305 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.517 -2.073 5.539 1.00 0.00 H new ATOM 0 HG3 ARG B 121 7.215 -2.084 6.712 1.00 0.00 H new ATOM 0 HD2 ARG B 121 10.052 -1.069 7.207 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.635 -0.067 6.965 1.00 0.00 H new ATOM 0 HE ARG B 121 7.714 -1.171 9.078 1.00 0.00 H new ATOM 0 HH11 ARG B 121 11.235 -0.804 8.687 1.00 0.00 H new ATOM 0 HH12 ARG B 121 11.475 -0.808 10.437 1.00 0.00 H new ATOM 0 HH21 ARG B 121 8.147 -1.164 11.229 1.00 0.00 H new ATOM 0 HH22 ARG B 121 9.808 -1.002 11.808 1.00 0.00 H new ATOM 1022 N LEU B 122 6.849 -4.104 4.385 1.00 0.00 N ATOM 1023 CA LEU B 122 5.548 -4.090 3.694 1.00 0.00 C ATOM 1024 C LEU B 122 5.071 -5.499 3.305 1.00 0.00 C ATOM 1025 O LEU B 122 3.886 -5.807 3.434 1.00 0.00 O ATOM 1026 CB LEU B 122 5.628 -3.192 2.441 1.00 0.00 C ATOM 1027 CG LEU B 122 5.166 -1.732 2.623 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.641 -1.002 3.881 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.622 -0.939 1.397 1.00 0.00 C ATOM 0 H LEU B 122 7.574 -3.586 3.890 1.00 0.00 H new ATOM 0 HA LEU B 122 4.815 -3.686 4.393 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.660 -3.184 2.090 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.027 -3.647 1.654 1.00 0.00 H new ATOM 0 HG LEU B 122 4.084 -1.790 2.739 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.245 0.013 3.884 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.287 -1.532 4.765 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.730 -0.966 3.892 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.308 0.100 1.498 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.708 -0.984 1.318 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.175 -1.367 0.500 1.00 0.00 H new ATOM 1041 N SER B 123 5.986 -6.377 2.879 1.00 0.00 N ATOM 1042 CA SER B 123 5.674 -7.770 2.522 1.00 0.00 C ATOM 1043 C SER B 123 5.126 -8.609 3.702 1.00 0.00 C ATOM 1044 O SER B 123 4.459 -9.628 3.482 1.00 0.00 O ATOM 1045 CB SER B 123 6.919 -8.434 1.926 1.00 0.00 C ATOM 1046 OG SER B 123 6.595 -9.671 1.310 1.00 0.00 O ATOM 0 H SER B 123 6.972 -6.141 2.771 1.00 0.00 H new ATOM 0 HA SER B 123 4.871 -7.736 1.785 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.374 -7.768 1.193 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.658 -8.598 2.710 1.00 0.00 H new ATOM 0 HG SER B 123 7.407 -10.073 0.936 1.00 0.00 H new ATOM 1052 N ARG B 124 5.341 -8.183 4.960 1.00 0.00 N ATOM 1053 CA ARG B 124 4.875 -8.893 6.173 1.00 0.00 C ATOM 1054 C ARG B 124 3.369 -8.751 6.444 1.00 0.00 C ATOM 1055 O ARG B 124 2.802 -9.580 7.154 1.00 0.00 O ATOM 1056 CB ARG B 124 5.653 -8.392 7.407 1.00 0.00 C ATOM 1057 CG ARG B 124 7.186 -8.484 7.296 1.00 0.00 C ATOM 1058 CD ARG B 124 7.742 -9.907 7.112 1.00 0.00 C ATOM 1059 NE ARG B 124 7.423 -10.796 8.249 1.00 0.00 N ATOM 1060 CZ ARG B 124 8.072 -10.904 9.395 1.00 0.00 C ATOM 1061 NH1 ARG B 124 9.129 -10.189 9.668 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 7.677 -11.752 10.300 1.00 0.00 N ATOM 0 H ARG B 124 5.850 -7.324 5.169 1.00 0.00 H new ATOM 0 HA ARG B 124 5.065 -9.950 5.988 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.380 -7.353 7.592 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.332 -8.966 8.277 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.511 -7.872 6.455 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.627 -8.052 8.194 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.336 -10.336 6.196 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.824 -9.857 6.988 1.00 0.00 H new ATOM 0 HE ARG B 124 6.606 -11.396 8.136 1.00 0.00 H new ATOM 0 HH11 ARG B 124 9.481 -9.518 8.985 1.00 0.00 H new ATOM 0 HH12 ARG B 124 9.603 -10.301 10.564 1.00 0.00 H new ATOM 0 HH21 ARG B 124 6.861 -12.339 10.127 1.00 0.00 H new ATOM 0 HH22 ARG B 124 8.183 -11.829 11.182 1.00 0.00 H new ATOM 1076 N LEU B 125 2.717 -7.710 5.912 1.00 0.00 N ATOM 1077 CA LEU B 125 1.291 -7.438 6.136 1.00 0.00 C ATOM 1078 C LEU B 125 0.376 -8.381 5.324 1.00 0.00 C ATOM 1079 O LEU B 125 0.668 -8.723 4.174 1.00 0.00 O ATOM 1080 CB LEU B 125 0.959 -5.960 5.842 1.00 0.00 C ATOM 1081 CG LEU B 125 1.501 -4.885 6.812 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.380 -5.261 8.291 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.951 -4.489 6.535 1.00 0.00 C ATOM 0 H LEU B 125 3.170 -7.025 5.307 1.00 0.00 H new ATOM 0 HA LEU B 125 1.093 -7.635 7.190 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.331 -5.727 4.844 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.126 -5.862 5.809 1.00 0.00 H new ATOM 0 HG LEU B 125 0.852 -4.032 6.615 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.782 -4.455 8.905 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.331 -5.420 8.541 1.00 0.00 H new ATOM 0 HD13 LEU B 125 1.941 -6.176 8.481 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.265 -3.731 7.253 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.592 -5.366 6.629 1.00 0.00 H new ATOM 0 HD23 LEU B 125 3.032 -4.087 5.525 1.00 0.00 H new ATOM 1095 N SER B 126 -0.756 -8.772 5.927 1.00 0.00 N ATOM 1096 CA SER B 126 -1.838 -9.531 5.275 1.00 0.00 C ATOM 1097 C SER B 126 -2.633 -8.677 4.269 1.00 0.00 C ATOM 1098 O SER B 126 -2.488 -7.449 4.232 1.00 0.00 O ATOM 1099 CB SER B 126 -2.753 -10.128 6.350 1.00 0.00 C ATOM 1100 OG SER B 126 -3.678 -11.043 5.778 1.00 0.00 O ATOM 0 H SER B 126 -0.951 -8.565 6.906 1.00 0.00 H new ATOM 0 HA SER B 126 -1.389 -10.336 4.694 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.152 -10.636 7.104 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.293 -9.329 6.858 1.00 0.00 H new ATOM 0 HG SER B 126 -4.250 -11.413 6.482 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.487 -9.304 3.443 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.207 -8.679 2.318 1.00 0.00 C ATOM 1108 C LYS B 127 -5.066 -7.474 2.723 1.00 0.00 C ATOM 1109 O LYS B 127 -5.136 -6.498 1.982 1.00 0.00 O ATOM 1110 CB LYS B 127 -5.065 -9.740 1.599 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.487 -9.347 0.167 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.327 -9.448 -0.845 1.00 0.00 C ATOM 1113 CE LYS B 127 -4.643 -8.811 -2.207 1.00 0.00 C ATOM 1114 NZ LYS B 127 -5.756 -9.490 -2.922 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.704 -10.296 3.543 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.449 -8.285 1.641 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.507 -10.675 1.558 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.961 -9.929 2.191 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -6.303 -9.993 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -5.871 -8.327 0.173 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -3.445 -8.966 -0.424 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -4.076 -10.498 -0.994 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -4.899 -7.762 -2.060 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -3.749 -8.837 -2.830 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -5.431 -9.794 -3.862 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -6.063 -10.321 -2.377 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -6.554 -8.831 -3.028 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.686 -7.510 3.902 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.451 -6.394 4.467 1.00 0.00 C ATOM 1130 C ASN B 128 -5.564 -5.337 5.162 1.00 0.00 C ATOM 1131 O ASN B 128 -5.856 -4.141 5.105 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.520 -6.974 5.412 1.00 0.00 C ATOM 1133 CG ASN B 128 -6.965 -7.644 6.666 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -5.958 -8.341 6.653 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -7.605 -7.454 7.799 1.00 0.00 N ATOM 0 H ASN B 128 -5.671 -8.332 4.505 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.933 -5.850 3.654 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -8.194 -6.172 5.713 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -8.116 -7.701 4.861 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -7.262 -7.886 8.657 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -8.445 -6.875 7.820 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.468 -5.763 5.793 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.534 -4.888 6.514 1.00 0.00 C ATOM 1144 C GLN B 129 -2.720 -3.993 5.565 1.00 0.00 C ATOM 1145 O GLN B 129 -2.555 -2.804 5.836 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.589 -5.743 7.374 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.280 -6.477 8.535 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.371 -7.508 9.214 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.355 -7.945 8.693 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.713 -7.959 10.402 1.00 0.00 N ATOM 0 H GLN B 129 -4.197 -6.746 5.819 1.00 0.00 H new ATOM 0 HA GLN B 129 -4.123 -4.227 7.150 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -2.100 -6.478 6.735 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.806 -5.102 7.779 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.609 -5.747 9.275 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -4.173 -6.978 8.161 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.556 -7.609 10.857 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -2.135 -8.658 10.868 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.261 -4.533 4.425 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.562 -3.750 3.395 1.00 0.00 C ATOM 1161 C LEU B 130 -2.469 -2.687 2.754 1.00 0.00 C ATOM 1162 O LEU B 130 -1.980 -1.629 2.351 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.907 -4.693 2.361 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.855 -5.513 1.457 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.280 -4.778 0.180 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -1.150 -6.806 1.034 1.00 0.00 C ATOM 0 H LEU B 130 -2.364 -5.521 4.192 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.762 -3.187 3.876 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.261 -4.094 1.719 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.265 -5.391 2.898 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.752 -5.700 2.047 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.944 -5.416 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.801 -3.858 0.446 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.397 -4.536 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.813 -7.390 0.396 1.00 0.00 H new ATOM 0 HD22 LEU B 130 -0.240 -6.562 0.485 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.894 -7.387 1.920 1.00 0.00 H new ATOM 1178 N MET B 131 -3.789 -2.911 2.707 1.00 0.00 N ATOM 1179 CA MET B 131 -4.745 -1.895 2.250 1.00 0.00 C ATOM 1180 C MET B 131 -4.887 -0.760 3.260 1.00 0.00 C ATOM 1181 O MET B 131 -4.821 0.402 2.872 1.00 0.00 O ATOM 1182 CB MET B 131 -6.128 -2.490 1.989 1.00 0.00 C ATOM 1183 CG MET B 131 -6.177 -3.517 0.863 1.00 0.00 C ATOM 1184 SD MET B 131 -7.754 -4.406 0.811 1.00 0.00 S ATOM 1185 CE MET B 131 -7.361 -5.578 -0.502 1.00 0.00 C ATOM 0 H MET B 131 -4.221 -3.793 2.982 1.00 0.00 H new ATOM 0 HA MET B 131 -4.341 -1.502 1.317 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.486 -2.959 2.906 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.819 -1.680 1.754 1.00 0.00 H new ATOM 0 HG2 MET B 131 -6.014 -3.015 -0.091 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.364 -4.232 0.990 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.208 -6.246 -0.659 1.00 0.00 H new ATOM 0 HE2 MET B 131 -7.152 -5.035 -1.424 1.00 0.00 H new ATOM 0 HE3 MET B 131 -6.486 -6.162 -0.218 1.00 0.00 H new ATOM 1195 N ALA B 132 -5.041 -1.074 4.554 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.131 -0.063 5.611 1.00 0.00 C ATOM 1197 C ALA B 132 -3.864 0.814 5.680 1.00 0.00 C ATOM 1198 O ALA B 132 -3.953 2.035 5.833 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.404 -0.785 6.935 1.00 0.00 C ATOM 0 H ALA B 132 -5.106 -2.033 4.894 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.949 0.624 5.394 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.476 -0.054 7.740 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.341 -1.337 6.862 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.590 -1.478 7.146 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.686 0.202 5.489 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.397 0.888 5.337 1.00 0.00 C ATOM 1207 C LEU B 133 -1.423 1.855 4.140 1.00 0.00 C ATOM 1208 O LEU B 133 -1.211 3.057 4.308 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.305 -0.193 5.198 1.00 0.00 C ATOM 1210 CG LEU B 133 1.173 0.262 5.164 1.00 0.00 C ATOM 1211 CD1 LEU B 133 2.033 -0.998 5.091 1.00 0.00 C ATOM 1212 CD2 LEU B 133 1.591 1.117 3.964 1.00 0.00 C ATOM 0 H LEU B 133 -2.603 -0.813 5.435 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.183 1.504 6.210 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.420 -0.891 6.027 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.503 -0.751 4.283 1.00 0.00 H new ATOM 0 HG LEU B 133 1.304 0.878 6.053 1.00 0.00 H new ATOM 0 HD11 LEU B 133 3.086 -0.719 5.065 1.00 0.00 H new ATOM 0 HD12 LEU B 133 1.844 -1.619 5.967 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.784 -1.557 4.189 1.00 0.00 H new ATOM 0 HD21 LEU B 133 2.647 1.374 4.051 1.00 0.00 H new ATOM 0 HD22 LEU B 133 1.429 0.556 3.044 1.00 0.00 H new ATOM 0 HD23 LEU B 133 0.996 2.030 3.943 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.704 1.344 2.938 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.653 2.136 1.710 1.00 0.00 C ATOM 1226 C ALA B 134 -2.711 3.266 1.687 1.00 0.00 C ATOM 1227 O ALA B 134 -2.424 4.373 1.228 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.804 1.177 0.526 1.00 0.00 C ATOM 0 H ALA B 134 -1.973 0.371 2.791 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.694 2.650 1.649 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.770 1.741 -0.406 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -0.992 0.450 0.540 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.758 0.656 0.599 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.909 3.024 2.235 1.00 0.00 N ATOM 1235 CA LEU B 135 -4.991 4.004 2.395 1.00 0.00 C ATOM 1236 C LEU B 135 -4.576 5.147 3.336 1.00 0.00 C ATOM 1237 O LEU B 135 -4.748 6.320 3.002 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.246 3.245 2.894 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.606 3.965 2.897 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.711 5.171 3.828 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -8.001 4.395 1.488 1.00 0.00 C ATOM 0 H LEU B 135 -4.161 2.103 2.593 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.218 4.482 1.442 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.351 2.348 2.284 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.047 2.916 3.914 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.295 3.217 3.289 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.709 5.603 3.752 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.529 4.855 4.855 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -6.970 5.917 3.542 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.966 4.901 1.519 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.247 5.075 1.090 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -8.073 3.517 0.846 1.00 0.00 H new ATOM 1253 N LYS B 136 -3.952 4.820 4.480 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.409 5.799 5.437 1.00 0.00 C ATOM 1255 C LYS B 136 -2.349 6.693 4.780 1.00 0.00 C ATOM 1256 O LYS B 136 -2.417 7.915 4.888 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.870 5.047 6.664 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.344 5.998 7.749 1.00 0.00 C ATOM 1259 CD LYS B 136 -2.026 5.284 9.072 1.00 0.00 C ATOM 1260 CE LYS B 136 -0.928 4.221 8.925 1.00 0.00 C ATOM 1261 NZ LYS B 136 -0.597 3.594 10.228 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.808 3.853 4.770 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.201 6.472 5.766 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.662 4.425 7.082 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.069 4.377 6.353 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.444 6.493 7.385 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.085 6.777 7.932 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -1.715 6.021 9.812 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -2.932 4.813 9.453 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -1.256 3.453 8.224 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -0.033 4.678 8.502 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 0.148 2.881 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -0.261 4.323 10.889 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -1.446 3.137 10.619 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.424 6.092 4.030 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.435 6.808 3.218 1.00 0.00 C ATOM 1277 C LEU B 137 -1.089 7.704 2.152 1.00 0.00 C ATOM 1278 O LEU B 137 -0.632 8.832 1.939 1.00 0.00 O ATOM 1279 CB LEU B 137 0.495 5.776 2.549 1.00 0.00 C ATOM 1280 CG LEU B 137 1.884 5.644 3.191 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.838 5.255 4.665 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.669 4.579 2.422 1.00 0.00 C ATOM 0 H LEU B 137 -1.338 5.078 3.968 1.00 0.00 H new ATOM 0 HA LEU B 137 0.134 7.467 3.874 1.00 0.00 H new ATOM 0 HB2 LEU B 137 0.007 4.802 2.570 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.620 6.047 1.501 1.00 0.00 H new ATOM 0 HG LEU B 137 2.361 6.623 3.139 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.854 5.180 5.053 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.291 6.014 5.225 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.337 4.293 4.772 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.660 4.469 2.862 1.00 0.00 H new ATOM 0 HD22 LEU B 137 2.140 3.627 2.476 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.766 4.881 1.379 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.155 7.230 1.492 1.00 0.00 N ATOM 1295 CA LYS B 138 -2.854 7.969 0.428 1.00 0.00 C ATOM 1296 C LYS B 138 -3.552 9.224 0.962 1.00 0.00 C ATOM 1297 O LYS B 138 -3.342 10.306 0.424 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.824 7.039 -0.329 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.433 7.666 -1.597 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.367 8.053 -2.638 1.00 0.00 C ATOM 1301 CE LYS B 138 -3.986 8.592 -3.927 1.00 0.00 C ATOM 1302 NZ LYS B 138 -2.939 8.982 -4.901 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.561 6.314 1.683 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.107 8.319 -0.284 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.295 6.127 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.631 6.748 0.343 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.134 6.962 -2.045 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.004 8.552 -1.321 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.704 8.806 -2.213 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.754 7.182 -2.868 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.633 7.833 -4.368 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.614 9.453 -3.700 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.388 9.344 -5.766 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.338 9.723 -4.487 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -2.356 8.153 -5.134 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.322 9.120 2.054 1.00 0.00 N ATOM 1317 CA GLN B 139 -4.967 10.298 2.658 1.00 0.00 C ATOM 1318 C GLN B 139 -3.940 11.316 3.198 1.00 0.00 C ATOM 1319 O GLN B 139 -4.178 12.520 3.110 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.023 9.889 3.711 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.455 9.223 4.976 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.533 8.973 6.024 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -6.777 9.780 6.913 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -7.232 7.857 5.968 1.00 0.00 N ATOM 0 H GLN B 139 -4.513 8.241 2.535 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.505 10.816 1.864 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -6.583 10.777 4.006 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.732 9.205 3.246 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -4.985 8.277 4.707 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -4.677 9.857 5.401 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -7.043 7.173 5.235 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -7.962 7.677 6.658 1.00 0.00 H new ATOM 1333 N GLN B 140 -2.775 10.863 3.680 1.00 0.00 N ATOM 1334 CA GLN B 140 -1.678 11.735 4.121 1.00 0.00 C ATOM 1335 C GLN B 140 -1.102 12.582 2.975 1.00 0.00 C ATOM 1336 O GLN B 140 -1.012 13.803 3.118 1.00 0.00 O ATOM 1337 CB GLN B 140 -0.587 10.884 4.785 1.00 0.00 C ATOM 1338 CG GLN B 140 -0.989 10.469 6.211 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.159 9.320 6.789 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.689 8.711 6.146 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.368 8.975 8.041 1.00 0.00 N ATOM 0 H GLN B 140 -2.565 9.869 3.776 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.079 12.442 4.847 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.402 9.994 4.184 1.00 0.00 H new ATOM 0 HB3 GLN B 140 0.346 11.447 4.818 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -0.898 11.334 6.868 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.040 10.178 6.210 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -1.068 9.467 8.596 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.170 8.215 8.457 1.00 0.00 H new