USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 889 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 51 SER OG : rot 53:sc= 0.375 USER MOD Set 1.2: A 126 HIS : no HD1:sc= -0.262 K(o=0.11,f=-0.78!) USER MOD Set 2.1: A 77 TYR OH : rot -150:sc= 0.00808 USER MOD Set 2.2: A 120 ASN : amide:sc= 0.765 K(o=1.6,f=-0.024) USER MOD Set 2.3: A 124 GLN : amide:sc= 0.859 K(o=1.6,f=-0.024) USER MOD Set 3.1: A 44 THR OG1 : rot -167:sc= 0.795 USER MOD Set 3.2: A 63 LYS NZ :NH3+ -162:sc= 2.13 (180deg=1.16) USER MOD Set 4.1: A 59 LYS NZ :NH3+ 175:sc= 1.72 (180deg=0.793) USER MOD Set 4.2: A 71 GLN : amide:sc= 0.63 K(o=2.4,f=-2.3) USER MOD Set 5.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -169:sc= 2.43 (180deg=2.27) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -161:sc= 1.78 (180deg=1.21) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot -140:sc= -0.0133 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.315 K(o=0.32,f=-0.23) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 140:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.473 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 103 SER OG : rot 25:sc= 0.0436 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 60:sc=-0.00301 USER MOD Single : A 128 LYS NZ :NH3+ 164:sc= 1.18 (180deg=0.722) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -4.636 8.257 14.383 1.00 0.00 N ATOM 172 CA GLU A 8 -4.988 7.136 13.527 1.00 0.00 C ATOM 173 C GLU A 8 -4.953 5.848 14.376 1.00 0.00 C ATOM 174 O GLU A 8 -4.033 5.618 15.165 1.00 0.00 O ATOM 175 CB GLU A 8 -4.048 7.082 12.308 1.00 0.00 C ATOM 176 CG GLU A 8 -2.548 6.919 12.611 1.00 0.00 C ATOM 177 CD GLU A 8 -1.828 8.204 13.069 1.00 0.00 C ATOM 178 OE1 GLU A 8 -1.617 8.404 14.291 1.00 0.00 O ATOM 179 OE2 GLU A 8 -1.388 8.986 12.191 1.00 0.00 O ATOM 0 HA GLU A 8 -5.995 7.250 13.127 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.360 6.254 11.671 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.183 7.997 11.731 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.430 6.160 13.384 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.052 6.542 11.717 1.00 0.00 H new ATOM 186 N SER A 9 -5.985 5.019 14.248 1.00 0.00 N ATOM 187 CA SER A 9 -6.158 3.764 14.993 1.00 0.00 C ATOM 188 C SER A 9 -5.747 2.559 14.146 1.00 0.00 C ATOM 189 O SER A 9 -6.137 2.479 12.984 1.00 0.00 O ATOM 190 CB SER A 9 -7.616 3.614 15.434 1.00 0.00 C ATOM 191 OG SER A 9 -7.938 4.588 16.416 1.00 0.00 O ATOM 0 H SER A 9 -6.753 5.204 13.602 1.00 0.00 H new ATOM 0 HA SER A 9 -5.514 3.800 15.872 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.276 3.724 14.574 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.780 2.614 15.836 1.00 0.00 H new ATOM 0 HG SER A 9 -8.874 4.482 16.688 1.00 0.00 H new ATOM 197 N VAL A 10 -4.976 1.609 14.684 1.00 0.00 N ATOM 198 CA VAL A 10 -4.484 0.455 13.902 1.00 0.00 C ATOM 199 C VAL A 10 -5.621 -0.466 13.432 1.00 0.00 C ATOM 200 O VAL A 10 -6.516 -0.815 14.205 1.00 0.00 O ATOM 201 CB VAL A 10 -3.351 -0.299 14.629 1.00 0.00 C ATOM 202 CG1 VAL A 10 -3.781 -0.965 15.941 1.00 0.00 C ATOM 203 CG2 VAL A 10 -2.704 -1.356 13.724 1.00 0.00 C ATOM 0 H VAL A 10 -4.675 1.611 15.659 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.040 0.858 12.992 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.627 0.476 14.879 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.927 -1.473 16.388 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.153 -0.206 16.629 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.570 -1.690 15.740 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.911 -1.866 14.270 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.457 -2.081 13.416 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.284 -0.872 12.842 1.00 0.00 H new ATOM 213 N LEU A 11 -5.568 -0.858 12.155 1.00 0.00 N ATOM 214 CA LEU A 11 -6.503 -1.790 11.513 1.00 0.00 C ATOM 215 C LEU A 11 -5.826 -3.120 11.148 1.00 0.00 C ATOM 216 O LEU A 11 -6.373 -4.188 11.429 1.00 0.00 O ATOM 217 CB LEU A 11 -7.090 -1.159 10.241 1.00 0.00 C ATOM 218 CG LEU A 11 -7.897 0.139 10.405 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.484 0.490 9.037 1.00 0.00 C ATOM 220 CD2 LEU A 11 -9.038 0.010 11.418 1.00 0.00 C ATOM 0 H LEU A 11 -4.847 -0.523 11.516 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.297 -1.995 12.230 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.268 -0.960 9.553 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.734 -1.898 9.764 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.228 0.913 10.781 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.065 1.409 9.115 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.676 0.632 8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.130 -0.320 8.700 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.570 0.959 11.489 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.727 -0.769 11.092 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.630 -0.251 12.394 1.00 0.00 H new ATOM 232 N CYS A 12 -4.632 -3.057 10.548 1.00 0.00 N ATOM 233 CA CYS A 12 -3.834 -4.222 10.167 1.00 0.00 C ATOM 234 C CYS A 12 -2.337 -3.933 10.292 1.00 0.00 C ATOM 235 O CYS A 12 -1.867 -2.858 9.925 1.00 0.00 O ATOM 236 CB CYS A 12 -4.224 -4.672 8.752 1.00 0.00 C ATOM 237 SG CYS A 12 -3.350 -6.184 8.253 1.00 0.00 S ATOM 0 H CYS A 12 -4.185 -2.172 10.309 1.00 0.00 H new ATOM 0 HA CYS A 12 -4.046 -5.042 10.853 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.299 -4.844 8.710 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.001 -3.874 8.044 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.717 -6.521 7.052 1.00 0.00 H new ATOM 243 N VAL A 13 -1.578 -4.906 10.793 1.00 0.00 N ATOM 244 CA VAL A 13 -0.117 -4.859 10.902 1.00 0.00 C ATOM 245 C VAL A 13 0.471 -6.156 10.342 1.00 0.00 C ATOM 246 O VAL A 13 0.021 -7.246 10.706 1.00 0.00 O ATOM 247 CB VAL A 13 0.306 -4.540 12.354 1.00 0.00 C ATOM 248 CG1 VAL A 13 -0.135 -5.584 13.389 1.00 0.00 C ATOM 249 CG2 VAL A 13 1.816 -4.329 12.492 1.00 0.00 C ATOM 0 H VAL A 13 -1.973 -5.777 11.146 1.00 0.00 H new ATOM 0 HA VAL A 13 0.292 -4.047 10.300 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.222 -3.611 12.571 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.204 -5.280 14.379 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.222 -5.663 13.386 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.300 -6.552 13.138 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.059 -4.108 13.531 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.340 -5.233 12.181 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.126 -3.495 11.862 1.00 0.00 H new ATOM 259 N LYS A 14 1.455 -6.048 9.439 1.00 0.00 N ATOM 260 CA LYS A 14 2.179 -7.204 8.870 1.00 0.00 C ATOM 261 C LYS A 14 3.700 -7.134 9.089 1.00 0.00 C ATOM 262 O LYS A 14 4.283 -6.051 8.981 1.00 0.00 O ATOM 263 CB LYS A 14 1.806 -7.462 7.393 1.00 0.00 C ATOM 264 CG LYS A 14 0.411 -8.077 7.210 1.00 0.00 C ATOM 265 CD LYS A 14 0.327 -9.525 7.721 1.00 0.00 C ATOM 266 CE LYS A 14 -1.039 -10.087 7.340 1.00 0.00 C ATOM 267 NZ LYS A 14 -1.156 -11.545 7.583 1.00 0.00 N ATOM 0 H LYS A 14 1.777 -5.151 9.077 1.00 0.00 H new ATOM 0 HA LYS A 14 1.840 -8.073 9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.854 -6.521 6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.548 -8.127 6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.322 -7.467 7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.144 -8.053 6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.122 -10.129 7.284 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.462 -9.555 8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.811 -9.567 7.908 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.228 -9.884 6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.025 -11.902 7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.333 -12.032 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.192 -11.725 8.607 1.00 0.00 H new ATOM 281 N PRO A 15 4.340 -8.287 9.387 1.00 0.00 N ATOM 282 CA PRO A 15 5.721 -8.366 9.875 1.00 0.00 C ATOM 283 C PRO A 15 6.790 -8.090 8.806 1.00 0.00 C ATOM 284 O PRO A 15 7.894 -7.663 9.143 1.00 0.00 O ATOM 285 CB PRO A 15 5.859 -9.795 10.425 1.00 0.00 C ATOM 286 CG PRO A 15 4.860 -10.603 9.592 1.00 0.00 C ATOM 287 CD PRO A 15 3.726 -9.611 9.416 1.00 0.00 C ATOM 0 HA PRO A 15 5.895 -7.591 10.622 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.875 -10.172 10.309 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.622 -9.839 11.488 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.282 -10.914 8.637 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.536 -11.507 10.107 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.179 -9.806 8.494 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.010 -9.690 10.234 1.00 0.00 H new ATOM 295 N ASP A 16 6.479 -8.335 7.530 1.00 0.00 N ATOM 296 CA ASP A 16 7.395 -8.155 6.401 1.00 0.00 C ATOM 297 C ASP A 16 6.639 -7.695 5.142 1.00 0.00 C ATOM 298 O ASP A 16 5.622 -8.285 4.765 1.00 0.00 O ATOM 299 CB ASP A 16 8.156 -9.463 6.149 1.00 0.00 C ATOM 300 CG ASP A 16 9.278 -9.262 5.124 1.00 0.00 C ATOM 301 OD1 ASP A 16 9.048 -9.496 3.917 1.00 0.00 O ATOM 302 OD2 ASP A 16 10.392 -8.858 5.531 1.00 0.00 O ATOM 0 H ASP A 16 5.559 -8.673 7.247 1.00 0.00 H new ATOM 0 HA ASP A 16 8.113 -7.372 6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.577 -9.828 7.086 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.465 -10.226 5.791 1.00 0.00 H new ATOM 307 N VAL A 17 7.132 -6.635 4.497 1.00 0.00 N ATOM 308 CA VAL A 17 6.580 -6.060 3.261 1.00 0.00 C ATOM 309 C VAL A 17 7.700 -5.393 2.460 1.00 0.00 C ATOM 310 O VAL A 17 8.608 -4.796 3.045 1.00 0.00 O ATOM 311 CB VAL A 17 5.428 -5.075 3.574 1.00 0.00 C ATOM 312 CG1 VAL A 17 5.862 -3.854 4.395 1.00 0.00 C ATOM 313 CG2 VAL A 17 4.727 -4.587 2.305 1.00 0.00 C ATOM 0 H VAL A 17 7.955 -6.134 4.830 1.00 0.00 H new ATOM 0 HA VAL A 17 6.155 -6.858 2.653 1.00 0.00 H new ATOM 0 HB VAL A 17 4.734 -5.658 4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.000 -3.211 4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.273 -4.184 5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.622 -3.298 3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.926 -3.898 2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.446 -4.075 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.308 -5.439 1.770 1.00 0.00 H new ATOM 323 N SER A 18 7.636 -5.485 1.129 1.00 0.00 N ATOM 324 CA SER A 18 8.659 -4.968 0.212 1.00 0.00 C ATOM 325 C SER A 18 8.074 -3.969 -0.798 1.00 0.00 C ATOM 326 O SER A 18 6.953 -4.136 -1.279 1.00 0.00 O ATOM 327 CB SER A 18 9.350 -6.134 -0.503 1.00 0.00 C ATOM 328 OG SER A 18 9.843 -7.092 0.422 1.00 0.00 O ATOM 0 H SER A 18 6.855 -5.930 0.647 1.00 0.00 H new ATOM 0 HA SER A 18 9.397 -4.423 0.800 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.647 -6.613 -1.184 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.173 -5.755 -1.109 1.00 0.00 H new ATOM 0 HG SER A 18 10.277 -7.824 -0.065 1.00 0.00 H new ATOM 334 N VAL A 19 8.827 -2.918 -1.131 1.00 0.00 N ATOM 335 CA VAL A 19 8.400 -1.801 -1.995 1.00 0.00 C ATOM 336 C VAL A 19 9.350 -1.638 -3.182 1.00 0.00 C ATOM 337 O VAL A 19 10.569 -1.695 -3.023 1.00 0.00 O ATOM 338 CB VAL A 19 8.249 -0.502 -1.183 1.00 0.00 C ATOM 339 CG1 VAL A 19 7.968 0.706 -2.082 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.081 -0.646 -0.199 1.00 0.00 C ATOM 0 H VAL A 19 9.785 -2.812 -0.798 1.00 0.00 H new ATOM 0 HA VAL A 19 7.417 -2.035 -2.403 1.00 0.00 H new ATOM 0 HB VAL A 19 9.190 -0.336 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.869 1.601 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.792 0.837 -2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.043 0.541 -2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.974 0.274 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.161 -0.837 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.277 -1.477 0.479 1.00 0.00 H new ATOM 350 N TYR A 20 8.774 -1.440 -4.371 1.00 0.00 N ATOM 351 CA TYR A 20 9.444 -1.672 -5.666 1.00 0.00 C ATOM 352 C TYR A 20 9.591 -0.437 -6.593 1.00 0.00 C ATOM 353 O TYR A 20 10.052 -0.587 -7.727 1.00 0.00 O ATOM 354 CB TYR A 20 8.713 -2.826 -6.369 1.00 0.00 C ATOM 355 CG TYR A 20 8.837 -4.180 -5.684 1.00 0.00 C ATOM 356 CD1 TYR A 20 9.759 -5.130 -6.168 1.00 0.00 C ATOM 357 CD2 TYR A 20 8.035 -4.497 -4.571 1.00 0.00 C ATOM 358 CE1 TYR A 20 9.890 -6.382 -5.537 1.00 0.00 C ATOM 359 CE2 TYR A 20 8.185 -5.738 -3.924 1.00 0.00 C ATOM 360 CZ TYR A 20 9.109 -6.686 -4.404 1.00 0.00 C ATOM 361 OH TYR A 20 9.241 -7.880 -3.765 1.00 0.00 O ATOM 0 H TYR A 20 7.814 -1.109 -4.469 1.00 0.00 H new ATOM 0 HA TYR A 20 10.481 -1.923 -5.445 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.656 -2.572 -6.448 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.097 -2.914 -7.385 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.369 -4.896 -7.028 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.304 -3.787 -4.213 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.589 -7.110 -5.922 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.587 -5.965 -3.053 1.00 0.00 H new ATOM 0 HH TYR A 20 8.624 -7.914 -3.005 1.00 0.00 H new ATOM 371 N ARG A 21 9.191 0.758 -6.120 1.00 0.00 N ATOM 372 CA ARG A 21 9.288 2.108 -6.749 1.00 0.00 C ATOM 373 C ARG A 21 9.130 2.137 -8.283 1.00 0.00 C ATOM 374 O ARG A 21 10.085 1.937 -9.038 1.00 0.00 O ATOM 375 CB ARG A 21 10.586 2.822 -6.323 1.00 0.00 C ATOM 376 CG ARG A 21 10.682 3.068 -4.807 1.00 0.00 C ATOM 377 CD ARG A 21 11.762 4.102 -4.452 1.00 0.00 C ATOM 378 NE ARG A 21 13.106 3.697 -4.908 1.00 0.00 N ATOM 379 CZ ARG A 21 14.244 4.336 -4.728 1.00 0.00 C ATOM 380 NH1 ARG A 21 15.338 3.790 -5.165 1.00 0.00 N ATOM 381 NH2 ARG A 21 14.320 5.490 -4.127 1.00 0.00 N ATOM 0 H ARG A 21 8.749 0.819 -5.203 1.00 0.00 H new ATOM 0 HA ARG A 21 8.422 2.650 -6.368 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.441 2.225 -6.641 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.653 3.778 -6.843 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.717 3.412 -4.435 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.902 2.128 -4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.503 5.061 -4.901 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.778 4.250 -3.372 1.00 0.00 H new ATOM 0 HE ARG A 21 13.160 2.818 -5.423 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.304 2.886 -5.636 1.00 0.00 H new ATOM 0 HH12 ARG A 21 16.231 4.265 -5.038 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.475 5.937 -3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.225 5.946 -4.011 1.00 0.00 H new ATOM 395 N ILE A 22 7.911 2.425 -8.738 1.00 0.00 N ATOM 396 CA ILE A 22 7.459 2.200 -10.124 1.00 0.00 C ATOM 397 C ILE A 22 7.506 3.474 -11.002 1.00 0.00 C ATOM 398 O ILE A 22 7.228 4.565 -10.498 1.00 0.00 O ATOM 399 CB ILE A 22 6.054 1.555 -10.124 1.00 0.00 C ATOM 400 CG1 ILE A 22 4.966 2.536 -9.630 1.00 0.00 C ATOM 401 CG2 ILE A 22 6.090 0.251 -9.315 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.584 1.916 -9.433 1.00 0.00 C ATOM 0 H ILE A 22 7.188 2.831 -8.144 1.00 0.00 H new ATOM 0 HA ILE A 22 8.166 1.510 -10.584 1.00 0.00 H new ATOM 0 HB ILE A 22 5.777 1.310 -11.149 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.291 2.971 -8.685 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.883 3.354 -10.346 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.100 -0.204 -9.315 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.806 -0.437 -9.765 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.390 0.467 -8.290 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.889 2.680 -9.086 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.230 1.507 -10.379 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.645 1.118 -8.693 1.00 0.00 H new ATOM 414 N PRO A 23 7.806 3.361 -12.314 1.00 0.00 N ATOM 415 CA PRO A 23 7.757 4.496 -13.239 1.00 0.00 C ATOM 416 C PRO A 23 6.354 5.000 -13.677 1.00 0.00 C ATOM 417 O PRO A 23 6.198 6.223 -13.767 1.00 0.00 O ATOM 418 CB PRO A 23 8.655 4.121 -14.424 1.00 0.00 C ATOM 419 CG PRO A 23 8.839 2.604 -14.356 1.00 0.00 C ATOM 420 CD PRO A 23 8.471 2.215 -12.923 1.00 0.00 C ATOM 0 HA PRO A 23 8.116 5.375 -12.704 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.197 4.416 -15.368 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.615 4.633 -14.362 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.198 2.098 -15.078 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.866 2.322 -14.589 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.815 1.344 -12.919 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.363 1.945 -12.358 1.00 0.00 H new ATOM 428 N PRO A 24 5.332 4.161 -13.968 1.00 0.00 N ATOM 429 CA PRO A 24 4.047 4.626 -14.511 1.00 0.00 C ATOM 430 C PRO A 24 3.056 5.124 -13.441 1.00 0.00 C ATOM 431 O PRO A 24 3.188 4.827 -12.252 1.00 0.00 O ATOM 432 CB PRO A 24 3.479 3.421 -15.270 1.00 0.00 C ATOM 433 CG PRO A 24 3.971 2.245 -14.434 1.00 0.00 C ATOM 434 CD PRO A 24 5.365 2.706 -14.017 1.00 0.00 C ATOM 0 HA PRO A 24 4.203 5.497 -15.147 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.391 3.452 -15.326 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.850 3.375 -16.294 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.329 2.061 -13.573 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.004 1.321 -15.011 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.634 2.293 -13.045 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.115 2.360 -14.728 1.00 0.00 H new ATOM 525 N GLY A 30 -4.236 -0.798 -16.197 1.00 0.00 N ATOM 526 CA GLY A 30 -3.954 -0.289 -14.855 1.00 0.00 C ATOM 527 C GLY A 30 -2.466 -0.018 -14.672 1.00 0.00 C ATOM 528 O GLY A 30 -1.927 0.926 -15.254 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.517 0.629 -14.685 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.289 -1.011 -14.111 1.00 0.00 H new ATOM 532 N TYR A 31 -1.793 -0.858 -13.885 1.00 0.00 N ATOM 533 CA TYR A 31 -0.357 -0.733 -13.598 1.00 0.00 C ATOM 534 C TYR A 31 0.486 -1.926 -14.040 1.00 0.00 C ATOM 535 O TYR A 31 1.628 -1.706 -14.436 1.00 0.00 O ATOM 536 CB TYR A 31 -0.153 -0.526 -12.100 1.00 0.00 C ATOM 537 CG TYR A 31 -0.426 0.880 -11.642 1.00 0.00 C ATOM 538 CD1 TYR A 31 0.632 1.805 -11.610 1.00 0.00 C ATOM 539 CD2 TYR A 31 -1.714 1.241 -11.209 1.00 0.00 C ATOM 540 CE1 TYR A 31 0.415 3.087 -11.081 1.00 0.00 C ATOM 541 CE2 TYR A 31 -1.941 2.535 -10.705 1.00 0.00 C ATOM 542 CZ TYR A 31 -0.869 3.454 -10.615 1.00 0.00 C ATOM 543 OH TYR A 31 -1.053 4.678 -10.049 1.00 0.00 O ATOM 0 H TYR A 31 -2.231 -1.654 -13.422 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.016 0.123 -14.180 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.805 -1.209 -11.556 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.872 -0.790 -11.842 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.605 1.531 -11.990 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.524 0.529 -11.263 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.230 3.794 -11.030 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.931 2.826 -10.388 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.991 4.777 -9.782 1.00 0.00 H new ATOM 553 N ARG A 32 -0.063 -3.147 -13.950 1.00 0.00 N ATOM 554 CA ARG A 32 0.544 -4.463 -14.194 1.00 0.00 C ATOM 555 C ARG A 32 1.971 -4.613 -13.644 1.00 0.00 C ATOM 556 O ARG A 32 2.923 -4.150 -14.258 1.00 0.00 O ATOM 557 CB ARG A 32 0.411 -4.898 -15.675 1.00 0.00 C ATOM 558 CG ARG A 32 -0.603 -4.175 -16.592 1.00 0.00 C ATOM 559 CD ARG A 32 -0.007 -2.978 -17.333 1.00 0.00 C ATOM 560 NE ARG A 32 0.845 -3.387 -18.465 1.00 0.00 N ATOM 561 CZ ARG A 32 1.801 -2.643 -18.988 1.00 0.00 C ATOM 562 NH1 ARG A 32 2.679 -3.157 -19.794 1.00 0.00 N ATOM 563 NH2 ARG A 32 1.933 -1.382 -18.694 1.00 0.00 N ATOM 0 H ARG A 32 -1.041 -3.246 -13.677 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.042 -5.168 -13.605 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.395 -4.800 -16.134 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.160 -5.959 -15.683 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.994 -4.886 -17.320 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.448 -3.837 -15.992 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.813 -2.342 -17.699 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.580 -2.379 -16.637 1.00 0.00 H new ATOM 0 HE ARG A 32 0.684 -4.308 -18.872 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.635 -4.148 -20.031 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.412 -2.570 -20.191 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.286 -0.940 -18.041 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.684 -0.836 -19.117 1.00 0.00 H new ATOM 577 N ALA A 33 2.143 -5.343 -12.535 1.00 0.00 N ATOM 578 CA ALA A 33 3.456 -5.570 -11.905 1.00 0.00 C ATOM 579 C ALA A 33 4.536 -6.073 -12.884 1.00 0.00 C ATOM 580 O ALA A 33 5.709 -5.737 -12.749 1.00 0.00 O ATOM 581 CB ALA A 33 3.278 -6.565 -10.752 1.00 0.00 C ATOM 0 H ALA A 33 1.373 -5.797 -12.044 1.00 0.00 H new ATOM 0 HA ALA A 33 3.815 -4.607 -11.541 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.241 -6.744 -10.274 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.581 -6.154 -10.021 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.885 -7.505 -11.140 1.00 0.00 H new ATOM 587 N SER A 34 4.122 -6.838 -13.902 1.00 0.00 N ATOM 588 CA SER A 34 4.980 -7.361 -14.974 1.00 0.00 C ATOM 589 C SER A 34 5.627 -6.263 -15.849 1.00 0.00 C ATOM 590 O SER A 34 6.664 -6.499 -16.472 1.00 0.00 O ATOM 591 CB SER A 34 4.129 -8.316 -15.823 1.00 0.00 C ATOM 592 OG SER A 34 4.948 -9.176 -16.595 1.00 0.00 O ATOM 0 H SER A 34 3.147 -7.120 -14.006 1.00 0.00 H new ATOM 0 HA SER A 34 5.823 -7.881 -14.518 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.484 -8.908 -15.174 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.478 -7.741 -16.481 1.00 0.00 H new ATOM 0 HG SER A 34 4.383 -9.776 -17.126 1.00 0.00 H new ATOM 598 N ASP A 35 5.069 -5.044 -15.881 1.00 0.00 N ATOM 599 CA ASP A 35 5.649 -3.885 -16.579 1.00 0.00 C ATOM 600 C ASP A 35 6.870 -3.269 -15.864 1.00 0.00 C ATOM 601 O ASP A 35 7.677 -2.592 -16.507 1.00 0.00 O ATOM 602 CB ASP A 35 4.556 -2.821 -16.738 1.00 0.00 C ATOM 603 CG ASP A 35 4.976 -1.688 -17.693 1.00 0.00 C ATOM 604 OD1 ASP A 35 5.024 -1.926 -18.925 1.00 0.00 O ATOM 605 OD2 ASP A 35 5.192 -0.545 -17.227 1.00 0.00 O ATOM 0 H ASP A 35 4.187 -4.831 -15.415 1.00 0.00 H new ATOM 0 HA ASP A 35 6.014 -4.238 -17.543 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.647 -3.291 -17.113 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.317 -2.400 -15.761 1.00 0.00 H new ATOM 610 N TRP A 36 7.023 -3.495 -14.553 1.00 0.00 N ATOM 611 CA TRP A 36 8.069 -2.900 -13.713 1.00 0.00 C ATOM 612 C TRP A 36 8.782 -3.975 -12.871 1.00 0.00 C ATOM 613 O TRP A 36 8.688 -5.174 -13.151 1.00 0.00 O ATOM 614 CB TRP A 36 7.492 -1.712 -12.912 1.00 0.00 C ATOM 615 CG TRP A 36 6.047 -1.748 -12.524 1.00 0.00 C ATOM 616 CD1 TRP A 36 5.060 -1.194 -13.256 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.401 -2.294 -11.332 1.00 0.00 C ATOM 618 NE1 TRP A 36 3.850 -1.372 -12.624 1.00 0.00 N ATOM 619 CE2 TRP A 36 4.012 -1.966 -11.391 1.00 0.00 C ATOM 620 CE3 TRP A 36 5.846 -2.990 -10.186 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.130 -2.262 -10.342 1.00 0.00 C ATOM 622 CZ3 TRP A 36 4.963 -3.311 -9.137 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.610 -2.935 -9.204 1.00 0.00 C ATOM 0 H TRP A 36 6.403 -4.116 -14.032 1.00 0.00 H new ATOM 0 HA TRP A 36 8.857 -2.477 -14.336 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.078 -1.612 -11.999 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.656 -0.807 -13.497 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.198 -0.686 -14.199 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.949 -1.099 -13.018 1.00 0.00 H new ATOM 0 HE3 TRP A 36 6.883 -3.282 -10.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.091 -1.976 -10.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.328 -3.850 -8.275 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.943 -3.162 -8.386 1.00 0.00 H new ATOM 634 N LYS A 37 9.559 -3.561 -11.864 1.00 0.00 N ATOM 635 CA LYS A 37 10.273 -4.467 -10.957 1.00 0.00 C ATOM 636 C LYS A 37 9.268 -5.196 -10.058 1.00 0.00 C ATOM 637 O LYS A 37 8.754 -4.589 -9.126 1.00 0.00 O ATOM 638 CB LYS A 37 11.317 -3.685 -10.132 1.00 0.00 C ATOM 639 CG LYS A 37 12.236 -2.814 -11.010 1.00 0.00 C ATOM 640 CD LYS A 37 13.569 -2.448 -10.340 1.00 0.00 C ATOM 641 CE LYS A 37 13.452 -1.980 -8.885 1.00 0.00 C ATOM 642 NZ LYS A 37 12.736 -0.689 -8.725 1.00 0.00 N ATOM 0 H LYS A 37 9.712 -2.575 -11.653 1.00 0.00 H new ATOM 0 HA LYS A 37 10.811 -5.216 -11.538 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.803 -3.051 -9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.925 -4.388 -9.562 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.441 -3.343 -11.941 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.709 -1.897 -11.274 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.227 -3.316 -10.376 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.048 -1.661 -10.922 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.934 -2.746 -8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.452 -1.885 -8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.966 -0.277 -7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.030 -0.034 -9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.711 -0.851 -8.788 1.00 0.00 H new ATOM 656 N LEU A 38 9.000 -6.482 -10.305 1.00 0.00 N ATOM 657 CA LEU A 38 8.209 -7.323 -9.385 1.00 0.00 C ATOM 658 C LEU A 38 9.058 -8.293 -8.538 1.00 0.00 C ATOM 659 O LEU A 38 8.530 -8.981 -7.665 1.00 0.00 O ATOM 660 CB LEU A 38 7.007 -7.965 -10.098 1.00 0.00 C ATOM 661 CG LEU A 38 7.241 -9.056 -11.158 1.00 0.00 C ATOM 662 CD1 LEU A 38 7.886 -10.348 -10.652 1.00 0.00 C ATOM 663 CD2 LEU A 38 5.878 -9.456 -11.733 1.00 0.00 C ATOM 0 H LEU A 38 9.320 -6.972 -11.141 1.00 0.00 H new ATOM 0 HA LEU A 38 7.783 -6.657 -8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.362 -8.391 -9.329 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.445 -7.162 -10.576 1.00 0.00 H new ATOM 0 HG LEU A 38 7.932 -8.614 -11.876 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.004 -11.045 -11.482 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.864 -10.124 -10.225 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.251 -10.797 -9.888 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.015 -10.230 -12.489 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.244 -9.838 -10.933 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.405 -8.585 -12.187 1.00 0.00 H new ATOM 675 N ASP A 39 10.372 -8.346 -8.796 1.00 0.00 N ATOM 676 CA ASP A 39 11.324 -9.280 -8.175 1.00 0.00 C ATOM 677 C ASP A 39 12.432 -8.572 -7.362 1.00 0.00 C ATOM 678 O ASP A 39 13.013 -9.171 -6.456 1.00 0.00 O ATOM 679 CB ASP A 39 11.933 -10.148 -9.288 1.00 0.00 C ATOM 680 CG ASP A 39 12.890 -11.226 -8.748 1.00 0.00 C ATOM 681 OD1 ASP A 39 12.413 -12.185 -8.098 1.00 0.00 O ATOM 682 OD2 ASP A 39 14.113 -11.132 -9.009 1.00 0.00 O ATOM 0 H ASP A 39 10.818 -7.719 -9.466 1.00 0.00 H new ATOM 0 HA ASP A 39 10.783 -9.894 -7.455 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.131 -10.629 -9.848 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.471 -9.509 -9.988 1.00 0.00 H new ATOM 687 N GLN A 40 12.705 -7.290 -7.652 1.00 0.00 N ATOM 688 CA GLN A 40 13.779 -6.495 -7.038 1.00 0.00 C ATOM 689 C GLN A 40 13.215 -5.303 -6.240 1.00 0.00 C ATOM 690 O GLN A 40 12.863 -4.293 -6.854 1.00 0.00 O ATOM 691 CB GLN A 40 14.750 -5.996 -8.127 1.00 0.00 C ATOM 692 CG GLN A 40 15.427 -7.131 -8.903 1.00 0.00 C ATOM 693 CD GLN A 40 16.501 -6.606 -9.853 1.00 0.00 C ATOM 694 OE1 GLN A 40 17.685 -6.570 -9.543 1.00 0.00 O ATOM 695 NE2 GLN A 40 16.138 -6.162 -11.041 1.00 0.00 N ATOM 0 H GLN A 40 12.168 -6.763 -8.341 1.00 0.00 H new ATOM 0 HA GLN A 40 14.317 -7.136 -6.340 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.205 -5.362 -8.826 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.516 -5.375 -7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.875 -7.835 -8.201 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.677 -7.681 -9.471 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.156 -6.185 -11.316 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.839 -5.796 -11.685 1.00 0.00 H new ATOM 704 N PRO A 41 13.110 -5.369 -4.901 1.00 0.00 N ATOM 705 CA PRO A 41 12.649 -4.240 -4.097 1.00 0.00 C ATOM 706 C PRO A 41 13.745 -3.184 -3.877 1.00 0.00 C ATOM 707 O PRO A 41 14.946 -3.470 -3.917 1.00 0.00 O ATOM 708 CB PRO A 41 12.162 -4.856 -2.789 1.00 0.00 C ATOM 709 CG PRO A 41 13.072 -6.072 -2.620 1.00 0.00 C ATOM 710 CD PRO A 41 13.315 -6.539 -4.058 1.00 0.00 C ATOM 0 HA PRO A 41 11.854 -3.691 -4.601 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.259 -4.161 -1.955 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.112 -5.143 -2.845 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.004 -5.809 -2.120 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.597 -6.849 -2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.325 -6.932 -4.175 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.628 -7.340 -4.329 1.00 0.00 H new ATOM 718 N ASP A 42 13.317 -1.956 -3.594 1.00 0.00 N ATOM 719 CA ASP A 42 14.157 -0.810 -3.225 1.00 0.00 C ATOM 720 C ASP A 42 14.228 -0.629 -1.701 1.00 0.00 C ATOM 721 O ASP A 42 15.233 -0.154 -1.169 1.00 0.00 O ATOM 722 CB ASP A 42 13.563 0.463 -3.841 1.00 0.00 C ATOM 723 CG ASP A 42 13.612 0.486 -5.371 1.00 0.00 C ATOM 724 OD1 ASP A 42 14.398 1.288 -5.926 1.00 0.00 O ATOM 725 OD2 ASP A 42 12.803 -0.206 -6.022 1.00 0.00 O ATOM 0 H ASP A 42 12.326 -1.717 -3.616 1.00 0.00 H new ATOM 0 HA ASP A 42 15.164 -0.994 -3.599 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.527 0.563 -3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.102 1.328 -3.456 1.00 0.00 H new ATOM 730 N TRP A 43 13.157 -1.019 -1.007 1.00 0.00 N ATOM 731 CA TRP A 43 13.004 -0.945 0.443 1.00 0.00 C ATOM 732 C TRP A 43 12.190 -2.139 0.950 1.00 0.00 C ATOM 733 O TRP A 43 11.254 -2.576 0.279 1.00 0.00 O ATOM 734 CB TRP A 43 12.308 0.377 0.804 1.00 0.00 C ATOM 735 CG TRP A 43 11.930 0.553 2.244 1.00 0.00 C ATOM 736 CD1 TRP A 43 12.669 1.191 3.179 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.713 0.113 2.932 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.002 1.175 4.390 1.00 0.00 N ATOM 739 CE2 TRP A 43 10.785 0.537 4.291 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.552 -0.595 2.546 1.00 0.00 C ATOM 741 CZ2 TRP A 43 9.752 0.295 5.209 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.517 -0.861 3.463 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.612 -0.412 4.792 1.00 0.00 C ATOM 0 H TRP A 43 12.335 -1.413 -1.465 1.00 0.00 H new ATOM 0 HA TRP A 43 13.984 -0.978 0.919 1.00 0.00 H new ATOM 0 HB2 TRP A 43 12.965 1.199 0.519 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.405 0.466 0.199 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.634 1.644 3.006 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.366 1.585 5.250 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.457 -0.939 1.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.832 0.649 6.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.645 -1.413 3.144 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.812 -0.610 5.490 1.00 0.00 H new ATOM 754 N THR A 44 12.499 -2.640 2.148 1.00 0.00 N ATOM 755 CA THR A 44 11.634 -3.562 2.886 1.00 0.00 C ATOM 756 C THR A 44 11.552 -3.187 4.360 1.00 0.00 C ATOM 757 O THR A 44 12.469 -2.585 4.929 1.00 0.00 O ATOM 758 CB THR A 44 12.042 -5.037 2.721 1.00 0.00 C ATOM 759 OG1 THR A 44 13.054 -5.424 3.629 1.00 0.00 O ATOM 760 CG2 THR A 44 12.518 -5.440 1.328 1.00 0.00 C ATOM 0 H THR A 44 13.365 -2.415 2.637 1.00 0.00 H new ATOM 0 HA THR A 44 10.642 -3.460 2.445 1.00 0.00 H new ATOM 0 HB THR A 44 11.104 -5.554 2.922 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.423 -6.290 3.358 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.780 -6.498 1.325 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.722 -5.261 0.605 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.393 -4.849 1.057 1.00 0.00 H new ATOM 768 N GLY A 45 10.437 -3.551 4.984 1.00 0.00 N ATOM 769 CA GLY A 45 10.124 -3.175 6.353 1.00 0.00 C ATOM 770 C GLY A 45 8.842 -3.828 6.846 1.00 0.00 C ATOM 771 O GLY A 45 8.586 -5.005 6.591 1.00 0.00 O ATOM 0 H GLY A 45 9.716 -4.124 4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.950 -3.460 7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.027 -2.091 6.418 1.00 0.00 H new ATOM 775 N ARG A 46 8.055 -3.033 7.559 1.00 0.00 N ATOM 776 CA ARG A 46 6.824 -3.391 8.274 1.00 0.00 C ATOM 777 C ARG A 46 5.641 -2.622 7.684 1.00 0.00 C ATOM 778 O ARG A 46 5.765 -1.438 7.369 1.00 0.00 O ATOM 779 CB ARG A 46 7.045 -3.051 9.760 1.00 0.00 C ATOM 780 CG ARG A 46 5.884 -3.397 10.711 1.00 0.00 C ATOM 781 CD ARG A 46 6.118 -2.707 12.063 1.00 0.00 C ATOM 782 NE ARG A 46 5.263 -3.263 13.129 1.00 0.00 N ATOM 783 CZ ARG A 46 4.700 -2.604 14.127 1.00 0.00 C ATOM 784 NH1 ARG A 46 4.214 -3.259 15.143 1.00 0.00 N ATOM 785 NH2 ARG A 46 4.598 -1.306 14.167 1.00 0.00 N ATOM 0 H ARG A 46 8.273 -2.042 7.664 1.00 0.00 H new ATOM 0 HA ARG A 46 6.595 -4.452 8.173 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.938 -3.574 10.103 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.250 -1.983 9.842 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.937 -3.071 10.282 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.818 -4.477 10.846 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.165 -2.814 12.347 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.922 -1.639 11.963 1.00 0.00 H new ATOM 0 HE ARG A 46 5.087 -4.267 13.092 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.269 -4.277 15.167 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.779 -2.754 15.915 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.964 -0.742 13.400 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.152 -0.854 14.965 1.00 0.00 H new ATOM 799 N LEU A 47 4.484 -3.270 7.578 1.00 0.00 N ATOM 800 CA LEU A 47 3.216 -2.614 7.247 1.00 0.00 C ATOM 801 C LEU A 47 2.461 -2.294 8.539 1.00 0.00 C ATOM 802 O LEU A 47 2.277 -3.195 9.357 1.00 0.00 O ATOM 803 CB LEU A 47 2.379 -3.565 6.377 1.00 0.00 C ATOM 804 CG LEU A 47 0.998 -3.013 5.970 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.107 -2.078 4.770 1.00 0.00 C ATOM 806 CD2 LEU A 47 0.055 -4.173 5.659 1.00 0.00 C ATOM 0 H LEU A 47 4.396 -4.276 7.720 1.00 0.00 H new ATOM 0 HA LEU A 47 3.403 -1.688 6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.942 -3.801 5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.237 -4.501 6.918 1.00 0.00 H new ATOM 0 HG LEU A 47 0.597 -2.435 6.803 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.117 -1.706 4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.756 -1.239 5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.527 -2.621 3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.921 -3.782 5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.464 -4.765 4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.052 -4.802 6.543 1.00 0.00 H new ATOM 818 N ARG A 48 1.923 -1.078 8.670 1.00 0.00 N ATOM 819 CA ARG A 48 0.875 -0.763 9.650 1.00 0.00 C ATOM 820 C ARG A 48 -0.204 0.134 9.037 1.00 0.00 C ATOM 821 O ARG A 48 -0.064 1.350 8.943 1.00 0.00 O ATOM 822 CB ARG A 48 1.516 -0.207 10.929 1.00 0.00 C ATOM 823 CG ARG A 48 0.508 -0.199 12.089 1.00 0.00 C ATOM 824 CD ARG A 48 1.211 -0.127 13.448 1.00 0.00 C ATOM 825 NE ARG A 48 2.029 1.095 13.577 1.00 0.00 N ATOM 826 CZ ARG A 48 1.723 2.208 14.218 1.00 0.00 C ATOM 827 NH1 ARG A 48 2.530 3.222 14.170 1.00 0.00 N ATOM 828 NH2 ARG A 48 0.628 2.346 14.912 1.00 0.00 N ATOM 0 H ARG A 48 2.202 -0.281 8.098 1.00 0.00 H new ATOM 0 HA ARG A 48 0.347 -1.671 9.940 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.382 -0.811 11.199 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.877 0.805 10.749 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.164 0.652 11.981 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.106 -1.098 12.044 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.467 -0.152 14.244 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.845 -1.004 13.576 1.00 0.00 H new ATOM 0 HE ARG A 48 2.939 1.077 13.116 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.398 3.158 13.638 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.297 4.083 14.664 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.036 1.574 14.977 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.435 3.226 15.390 1.00 0.00 H new ATOM 842 N ILE A 49 -1.296 -0.491 8.609 1.00 0.00 N ATOM 843 CA ILE A 49 -2.518 0.173 8.148 1.00 0.00 C ATOM 844 C ILE A 49 -3.285 0.691 9.363 1.00 0.00 C ATOM 845 O ILE A 49 -3.508 -0.033 10.339 1.00 0.00 O ATOM 846 CB ILE A 49 -3.382 -0.780 7.297 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.590 -1.240 6.057 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.696 -0.109 6.867 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.383 -2.159 5.126 1.00 0.00 C ATOM 0 H ILE A 49 -1.360 -1.508 8.571 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.256 1.014 7.506 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.633 -1.647 7.908 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.267 -0.362 5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.689 -1.759 6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.282 -0.807 6.269 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.265 0.177 7.752 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.474 0.779 6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.761 -2.441 4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.684 -3.055 5.669 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.270 -1.637 4.768 1.00 0.00 H new ATOM 861 N THR A 50 -3.712 1.946 9.290 1.00 0.00 N ATOM 862 CA THR A 50 -4.415 2.662 10.360 1.00 0.00 C ATOM 863 C THR A 50 -5.650 3.394 9.814 1.00 0.00 C ATOM 864 O THR A 50 -5.866 3.423 8.605 1.00 0.00 O ATOM 865 CB THR A 50 -3.459 3.639 11.064 1.00 0.00 C ATOM 866 OG1 THR A 50 -3.000 4.604 10.149 1.00 0.00 O ATOM 867 CG2 THR A 50 -2.209 3.000 11.672 1.00 0.00 C ATOM 0 H THR A 50 -3.576 2.518 8.456 1.00 0.00 H new ATOM 0 HA THR A 50 -4.762 1.933 11.093 1.00 0.00 H new ATOM 0 HB THR A 50 -4.054 4.058 11.875 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.050 4.782 10.310 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.600 3.770 12.145 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.504 2.262 12.418 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.632 2.512 10.887 1.00 0.00 H new ATOM 875 N SER A 51 -6.489 3.972 10.678 1.00 0.00 N ATOM 876 CA SER A 51 -7.649 4.790 10.308 1.00 0.00 C ATOM 877 C SER A 51 -8.025 5.783 11.405 1.00 0.00 C ATOM 878 O SER A 51 -8.177 5.424 12.570 1.00 0.00 O ATOM 879 CB SER A 51 -8.855 3.898 9.996 1.00 0.00 C ATOM 880 OG SER A 51 -10.079 4.613 10.027 1.00 0.00 O ATOM 0 H SER A 51 -6.376 3.881 11.688 1.00 0.00 H new ATOM 0 HA SER A 51 -7.368 5.356 9.420 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.725 3.448 9.012 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.896 3.082 10.717 1.00 0.00 H new ATOM 0 HG SER A 51 -10.012 5.401 9.449 1.00 0.00 H new ATOM 886 N LYS A 52 -8.232 7.040 11.017 1.00 0.00 N ATOM 887 CA LYS A 52 -8.795 8.125 11.845 1.00 0.00 C ATOM 888 C LYS A 52 -10.338 8.228 11.699 1.00 0.00 C ATOM 889 O LYS A 52 -10.939 9.284 11.888 1.00 0.00 O ATOM 890 CB LYS A 52 -7.990 9.391 11.511 1.00 0.00 C ATOM 891 CG LYS A 52 -8.176 10.585 12.452 1.00 0.00 C ATOM 892 CD LYS A 52 -7.746 11.896 11.785 1.00 0.00 C ATOM 893 CE LYS A 52 -6.343 11.892 11.164 1.00 0.00 C ATOM 894 NZ LYS A 52 -6.083 13.137 10.405 1.00 0.00 N ATOM 0 H LYS A 52 -8.004 7.353 10.073 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.687 7.935 12.913 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.932 9.129 11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.254 9.707 10.502 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.222 10.654 12.752 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.593 10.429 13.360 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.468 12.141 11.006 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.794 12.693 12.527 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.596 11.781 11.950 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.239 11.032 10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.126 13.102 9.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.781 13.229 9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.158 13.955 11.043 1.00 0.00 H new ATOM 908 N GLY A 53 -10.989 7.118 11.335 1.00 0.00 N ATOM 909 CA GLY A 53 -12.428 7.008 11.051 1.00 0.00 C ATOM 910 C GLY A 53 -12.773 7.460 9.626 1.00 0.00 C ATOM 911 O GLY A 53 -12.462 8.588 9.240 1.00 0.00 O ATOM 0 H GLY A 53 -10.505 6.227 11.224 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.746 5.975 11.190 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.985 7.612 11.767 1.00 0.00 H new ATOM 915 N LYS A 54 -13.375 6.564 8.824 1.00 0.00 N ATOM 916 CA LYS A 54 -13.660 6.680 7.370 1.00 0.00 C ATOM 917 C LYS A 54 -12.462 6.917 6.448 1.00 0.00 C ATOM 918 O LYS A 54 -12.499 6.496 5.292 1.00 0.00 O ATOM 919 CB LYS A 54 -14.827 7.663 7.155 1.00 0.00 C ATOM 920 CG LYS A 54 -15.367 7.661 5.719 1.00 0.00 C ATOM 921 CD LYS A 54 -16.454 8.724 5.562 1.00 0.00 C ATOM 922 CE LYS A 54 -16.972 8.742 4.118 1.00 0.00 C ATOM 923 NZ LYS A 54 -17.968 9.828 3.913 1.00 0.00 N ATOM 0 H LYS A 54 -13.702 5.672 9.196 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.962 5.686 7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.636 7.410 7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.496 8.670 7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.555 7.854 5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.771 6.678 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.276 8.519 6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.056 9.704 5.826 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.136 8.878 3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.426 7.780 3.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -18.299 9.814 2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.776 9.683 4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -17.526 10.747 4.117 1.00 0.00 H new ATOM 937 N THR A 55 -11.353 7.429 6.963 1.00 0.00 N ATOM 938 CA THR A 55 -10.109 7.586 6.218 1.00 0.00 C ATOM 939 C THR A 55 -9.072 6.615 6.754 1.00 0.00 C ATOM 940 O THR A 55 -8.615 6.759 7.890 1.00 0.00 O ATOM 941 CB THR A 55 -9.597 9.031 6.271 1.00 0.00 C ATOM 942 OG1 THR A 55 -10.645 9.965 6.082 1.00 0.00 O ATOM 943 CG2 THR A 55 -8.633 9.227 5.113 1.00 0.00 C ATOM 0 H THR A 55 -11.290 7.753 7.928 1.00 0.00 H new ATOM 0 HA THR A 55 -10.300 7.359 5.169 1.00 0.00 H new ATOM 0 HB THR A 55 -9.137 9.192 7.246 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.284 10.875 6.123 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.252 10.248 5.126 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.802 8.528 5.209 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.153 9.045 4.172 1.00 0.00 H new ATOM 951 N ALA A 56 -8.716 5.622 5.938 1.00 0.00 N ATOM 952 CA ALA A 56 -7.593 4.739 6.218 1.00 0.00 C ATOM 953 C ALA A 56 -6.280 5.429 5.825 1.00 0.00 C ATOM 954 O ALA A 56 -6.255 6.296 4.952 1.00 0.00 O ATOM 955 CB ALA A 56 -7.789 3.393 5.506 1.00 0.00 C ATOM 0 H ALA A 56 -9.201 5.411 5.066 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.542 4.529 7.286 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.943 2.740 5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.708 2.925 5.859 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.855 3.557 4.430 1.00 0.00 H new ATOM 961 N TYR A 57 -5.176 5.031 6.443 1.00 0.00 N ATOM 962 CA TYR A 57 -3.837 5.484 6.101 1.00 0.00 C ATOM 963 C TYR A 57 -2.934 4.255 6.051 1.00 0.00 C ATOM 964 O TYR A 57 -2.721 3.587 7.068 1.00 0.00 O ATOM 965 CB TYR A 57 -3.340 6.526 7.116 1.00 0.00 C ATOM 966 CG TYR A 57 -4.192 7.778 7.257 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.812 8.973 6.615 1.00 0.00 C ATOM 968 CD2 TYR A 57 -5.359 7.755 8.047 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.601 10.133 6.750 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.163 8.901 8.162 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.784 10.098 7.520 1.00 0.00 C ATOM 972 OH TYR A 57 -6.558 11.211 7.655 1.00 0.00 O ATOM 0 H TYR A 57 -5.189 4.366 7.217 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.831 5.978 5.130 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.268 6.047 8.093 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.331 6.827 6.834 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.913 9.000 6.017 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.637 6.850 8.567 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.300 11.049 6.264 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.073 8.865 8.743 1.00 0.00 H new ATOM 0 HH TYR A 57 -7.333 11.004 8.218 1.00 0.00 H new ATOM 982 N ILE A 58 -2.399 3.946 4.871 1.00 0.00 N ATOM 983 CA ILE A 58 -1.335 2.949 4.747 1.00 0.00 C ATOM 984 C ILE A 58 -0.067 3.601 5.281 1.00 0.00 C ATOM 985 O ILE A 58 0.405 4.559 4.672 1.00 0.00 O ATOM 986 CB ILE A 58 -1.103 2.498 3.287 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.377 2.245 2.461 1.00 0.00 C ATOM 988 CG2 ILE A 58 -0.170 1.278 3.301 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.331 1.197 3.027 1.00 0.00 C ATOM 0 H ILE A 58 -2.684 4.370 3.988 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.615 2.055 5.304 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.639 3.334 2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.917 3.186 2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.083 1.939 1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.007 0.943 2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.779 1.551 3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.633 0.473 3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.194 1.097 2.369 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.817 0.238 3.099 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.664 1.506 4.018 1.00 0.00 H new ATOM 1001 N LYS A 59 0.483 3.119 6.397 1.00 0.00 N ATOM 1002 CA LYS A 59 1.776 3.593 6.916 1.00 0.00 C ATOM 1003 C LYS A 59 2.807 2.465 6.878 1.00 0.00 C ATOM 1004 O LYS A 59 2.520 1.325 7.244 1.00 0.00 O ATOM 1005 CB LYS A 59 1.605 4.289 8.283 1.00 0.00 C ATOM 1006 CG LYS A 59 0.506 5.368 8.196 1.00 0.00 C ATOM 1007 CD LYS A 59 0.567 6.458 9.274 1.00 0.00 C ATOM 1008 CE LYS A 59 -0.587 7.434 9.002 1.00 0.00 C ATOM 1009 NZ LYS A 59 -0.393 8.755 9.646 1.00 0.00 N ATOM 0 H LYS A 59 0.050 2.392 6.967 1.00 0.00 H new ATOM 0 HA LYS A 59 2.178 4.371 6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.344 3.554 9.044 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.548 4.743 8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.565 5.845 7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.466 4.878 8.253 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.474 6.021 10.268 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.525 6.977 9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.692 7.573 7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.519 6.995 9.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.159 9.397 9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.405 8.642 10.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.521 9.154 9.352 1.00 0.00 H new ATOM 1023 N LEU A 60 3.995 2.773 6.366 1.00 0.00 N ATOM 1024 CA LEU A 60 5.092 1.827 6.156 1.00 0.00 C ATOM 1025 C LEU A 60 6.252 2.196 7.083 1.00 0.00 C ATOM 1026 O LEU A 60 6.636 3.363 7.160 1.00 0.00 O ATOM 1027 CB LEU A 60 5.501 1.849 4.674 1.00 0.00 C ATOM 1028 CG LEU A 60 4.450 1.264 3.710 1.00 0.00 C ATOM 1029 CD1 LEU A 60 4.821 1.611 2.271 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.364 -0.259 3.819 1.00 0.00 C ATOM 0 H LEU A 60 4.231 3.722 6.075 1.00 0.00 H new ATOM 0 HA LEU A 60 4.782 0.810 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.708 2.879 4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.431 1.292 4.559 1.00 0.00 H new ATOM 0 HG LEU A 60 3.487 1.695 3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.076 1.196 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.854 2.694 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.799 1.191 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.612 -0.632 3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.332 -0.696 3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.086 -0.536 4.836 1.00 0.00 H new ATOM 1042 N GLU A 61 6.787 1.219 7.810 1.00 0.00 N ATOM 1043 CA GLU A 61 7.640 1.442 8.985 1.00 0.00 C ATOM 1044 C GLU A 61 8.921 0.591 8.947 1.00 0.00 C ATOM 1045 O GLU A 61 8.954 -0.478 8.337 1.00 0.00 O ATOM 1046 CB GLU A 61 6.840 1.161 10.271 1.00 0.00 C ATOM 1047 CG GLU A 61 5.510 1.925 10.364 1.00 0.00 C ATOM 1048 CD GLU A 61 4.872 1.785 11.755 1.00 0.00 C ATOM 1049 OE1 GLU A 61 4.564 2.818 12.391 1.00 0.00 O ATOM 1050 OE2 GLU A 61 4.613 0.647 12.214 1.00 0.00 O ATOM 0 H GLU A 61 6.641 0.232 7.600 1.00 0.00 H new ATOM 0 HA GLU A 61 7.954 2.486 8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.637 0.092 10.333 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.456 1.419 11.133 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.680 2.979 10.146 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.821 1.550 9.608 1.00 0.00 H new ATOM 1057 N ASP A 62 9.994 1.033 9.607 1.00 0.00 N ATOM 1058 CA ASP A 62 11.266 0.328 9.656 1.00 0.00 C ATOM 1059 C ASP A 62 11.146 -0.959 10.492 1.00 0.00 C ATOM 1060 O ASP A 62 10.552 -0.960 11.575 1.00 0.00 O ATOM 1061 CB ASP A 62 12.325 1.297 10.197 1.00 0.00 C ATOM 1062 CG ASP A 62 13.666 0.596 10.401 1.00 0.00 C ATOM 1063 OD1 ASP A 62 14.504 0.583 9.469 1.00 0.00 O ATOM 1064 OD2 ASP A 62 13.835 0.016 11.494 1.00 0.00 O ATOM 0 H ASP A 62 9.998 1.908 10.131 1.00 0.00 H new ATOM 0 HA ASP A 62 11.568 0.004 8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.449 2.128 9.503 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.985 1.719 11.143 1.00 0.00 H new ATOM 1069 N LYS A 63 11.741 -2.052 9.998 1.00 0.00 N ATOM 1070 CA LYS A 63 11.629 -3.408 10.572 1.00 0.00 C ATOM 1071 C LYS A 63 12.278 -3.567 11.960 1.00 0.00 C ATOM 1072 O LYS A 63 12.121 -4.613 12.591 1.00 0.00 O ATOM 1073 CB LYS A 63 12.218 -4.421 9.565 1.00 0.00 C ATOM 1074 CG LYS A 63 11.320 -5.662 9.402 1.00 0.00 C ATOM 1075 CD LYS A 63 11.857 -6.666 8.368 1.00 0.00 C ATOM 1076 CE LYS A 63 11.898 -6.075 6.951 1.00 0.00 C ATOM 1077 NZ LYS A 63 12.417 -7.042 5.955 1.00 0.00 N ATOM 0 H LYS A 63 12.330 -2.022 9.166 1.00 0.00 H new ATOM 0 HA LYS A 63 10.569 -3.600 10.740 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.346 -3.937 8.597 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.208 -4.731 9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.222 -6.161 10.366 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.321 -5.343 9.105 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.860 -6.981 8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.230 -7.557 8.370 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.895 -5.761 6.661 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.525 -5.183 6.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.714 -6.532 5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.232 -7.550 6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.670 -7.724 5.711 1.00 0.00 H new ATOM 1091 N VAL A 64 13.012 -2.553 12.423 1.00 0.00 N ATOM 1092 CA VAL A 64 13.848 -2.564 13.633 1.00 0.00 C ATOM 1093 C VAL A 64 13.371 -1.534 14.656 1.00 0.00 C ATOM 1094 O VAL A 64 13.350 -1.834 15.852 1.00 0.00 O ATOM 1095 CB VAL A 64 15.331 -2.295 13.281 1.00 0.00 C ATOM 1096 CG1 VAL A 64 16.250 -2.834 14.382 1.00 0.00 C ATOM 1097 CG2 VAL A 64 15.764 -2.913 11.942 1.00 0.00 C ATOM 0 H VAL A 64 13.043 -1.654 11.942 1.00 0.00 H new ATOM 0 HA VAL A 64 13.758 -3.556 14.075 1.00 0.00 H new ATOM 0 HB VAL A 64 15.420 -1.212 13.194 1.00 0.00 H new ATOM 0 HG11 VAL A 64 17.289 -2.636 14.118 1.00 0.00 H new ATOM 0 HG12 VAL A 64 16.015 -2.341 15.325 1.00 0.00 H new ATOM 0 HG13 VAL A 64 16.101 -3.909 14.487 1.00 0.00 H new ATOM 0 HG21 VAL A 64 16.814 -2.685 11.759 1.00 0.00 H new ATOM 0 HG22 VAL A 64 15.628 -3.994 11.979 1.00 0.00 H new ATOM 0 HG23 VAL A 64 15.157 -2.499 11.137 1.00 0.00 H new ATOM 1107 N SER A 65 12.953 -0.348 14.195 1.00 0.00 N ATOM 1108 CA SER A 65 12.683 0.805 15.068 1.00 0.00 C ATOM 1109 C SER A 65 11.310 1.457 14.855 1.00 0.00 C ATOM 1110 O SER A 65 10.962 2.397 15.573 1.00 0.00 O ATOM 1111 CB SER A 65 13.798 1.850 14.904 1.00 0.00 C ATOM 1112 OG SER A 65 15.059 1.311 15.279 1.00 0.00 O ATOM 0 H SER A 65 12.792 -0.159 13.206 1.00 0.00 H new ATOM 0 HA SER A 65 12.666 0.415 16.086 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.836 2.187 13.868 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.575 2.724 15.516 1.00 0.00 H new ATOM 0 HG SER A 65 15.753 1.993 15.165 1.00 0.00 H new ATOM 1118 N GLY A 66 10.516 0.988 13.884 1.00 0.00 N ATOM 1119 CA GLY A 66 9.176 1.516 13.595 1.00 0.00 C ATOM 1120 C GLY A 66 9.152 2.925 12.979 1.00 0.00 C ATOM 1121 O GLY A 66 8.099 3.561 12.946 1.00 0.00 O ATOM 0 H GLY A 66 10.789 0.221 13.269 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.670 0.830 12.915 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.600 1.530 14.520 1.00 0.00 H new ATOM 1125 N GLU A 67 10.293 3.434 12.503 1.00 0.00 N ATOM 1126 CA GLU A 67 10.409 4.774 11.899 1.00 0.00 C ATOM 1127 C GLU A 67 9.712 4.833 10.528 1.00 0.00 C ATOM 1128 O GLU A 67 9.785 3.876 9.758 1.00 0.00 O ATOM 1129 CB GLU A 67 11.884 5.186 11.772 1.00 0.00 C ATOM 1130 CG GLU A 67 12.591 5.283 13.130 1.00 0.00 C ATOM 1131 CD GLU A 67 14.016 5.848 12.974 1.00 0.00 C ATOM 1132 OE1 GLU A 67 14.969 5.057 12.766 1.00 0.00 O ATOM 1133 OE2 GLU A 67 14.196 7.087 13.064 1.00 0.00 O ATOM 0 H GLU A 67 11.176 2.924 12.525 1.00 0.00 H new ATOM 0 HA GLU A 67 9.907 5.480 12.560 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.406 4.463 11.146 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.946 6.149 11.265 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.014 5.922 13.799 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.636 4.297 13.591 1.00 0.00 H new ATOM 1140 N LEU A 68 9.035 5.941 10.208 1.00 0.00 N ATOM 1141 CA LEU A 68 8.191 6.041 9.010 1.00 0.00 C ATOM 1142 C LEU A 68 9.025 6.112 7.713 1.00 0.00 C ATOM 1143 O LEU A 68 9.853 7.010 7.539 1.00 0.00 O ATOM 1144 CB LEU A 68 7.244 7.252 9.150 1.00 0.00 C ATOM 1145 CG LEU A 68 6.122 7.290 8.095 1.00 0.00 C ATOM 1146 CD1 LEU A 68 5.019 6.273 8.398 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.473 8.672 8.058 1.00 0.00 C ATOM 0 H LEU A 68 9.056 6.792 10.770 1.00 0.00 H new ATOM 0 HA LEU A 68 7.594 5.133 8.931 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.795 7.237 10.143 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.829 8.169 9.078 1.00 0.00 H new ATOM 0 HG LEU A 68 6.587 7.050 7.139 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.248 6.333 7.630 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.443 5.269 8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.580 6.492 9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.682 8.683 7.308 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.049 8.901 9.036 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.224 9.420 7.804 1.00 0.00 H new ATOM 1159 N PHE A 69 8.752 5.198 6.780 1.00 0.00 N ATOM 1160 CA PHE A 69 9.249 5.215 5.401 1.00 0.00 C ATOM 1161 C PHE A 69 8.343 6.063 4.494 1.00 0.00 C ATOM 1162 O PHE A 69 8.822 6.976 3.818 1.00 0.00 O ATOM 1163 CB PHE A 69 9.362 3.767 4.902 1.00 0.00 C ATOM 1164 CG PHE A 69 9.585 3.614 3.406 1.00 0.00 C ATOM 1165 CD1 PHE A 69 8.698 2.838 2.637 1.00 0.00 C ATOM 1166 CD2 PHE A 69 10.679 4.241 2.779 1.00 0.00 C ATOM 1167 CE1 PHE A 69 8.904 2.683 1.255 1.00 0.00 C ATOM 1168 CE2 PHE A 69 10.874 4.102 1.394 1.00 0.00 C ATOM 1169 CZ PHE A 69 9.984 3.324 0.628 1.00 0.00 C ATOM 0 H PHE A 69 8.155 4.393 6.971 1.00 0.00 H new ATOM 0 HA PHE A 69 10.235 5.679 5.371 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.184 3.282 5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.451 3.234 5.174 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.854 2.359 3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.370 4.830 3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.230 2.070 0.675 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.709 4.593 0.916 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.132 3.221 -0.437 1.00 0.00 H new ATOM 1179 N ALA A 70 7.035 5.784 4.506 1.00 0.00 N ATOM 1180 CA ALA A 70 6.025 6.485 3.712 1.00 0.00 C ATOM 1181 C ALA A 70 4.616 6.348 4.316 1.00 0.00 C ATOM 1182 O ALA A 70 4.354 5.425 5.094 1.00 0.00 O ATOM 1183 CB ALA A 70 6.040 5.918 2.287 1.00 0.00 C ATOM 0 H ALA A 70 6.641 5.043 5.085 1.00 0.00 H new ATOM 0 HA ALA A 70 6.269 7.547 3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.292 6.431 1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.026 6.067 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.813 4.852 2.317 1.00 0.00 H new ATOM 1189 N GLN A 71 3.699 7.236 3.915 1.00 0.00 N ATOM 1190 CA GLN A 71 2.275 7.151 4.259 1.00 0.00 C ATOM 1191 C GLN A 71 1.353 7.553 3.093 1.00 0.00 C ATOM 1192 O GLN A 71 1.618 8.539 2.405 1.00 0.00 O ATOM 1193 CB GLN A 71 1.974 7.936 5.552 1.00 0.00 C ATOM 1194 CG GLN A 71 2.343 9.432 5.508 1.00 0.00 C ATOM 1195 CD GLN A 71 2.183 10.134 6.859 1.00 0.00 C ATOM 1196 OE1 GLN A 71 1.563 9.647 7.797 1.00 0.00 O ATOM 1197 NE2 GLN A 71 2.744 11.312 7.019 1.00 0.00 N ATOM 0 H GLN A 71 3.928 8.044 3.335 1.00 0.00 H new ATOM 0 HA GLN A 71 2.051 6.102 4.453 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.911 7.846 5.774 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.513 7.469 6.376 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.375 9.535 5.173 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.716 9.932 4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.265 11.737 6.252 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.658 11.801 7.910 1.00 0.00 H new ATOM 1206 N ALA A 72 0.264 6.803 2.881 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.758 7.052 1.855 1.00 0.00 C ATOM 1208 C ALA A 72 -2.175 7.152 2.477 1.00 0.00 C ATOM 1209 O ALA A 72 -2.705 6.131 2.928 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.733 5.924 0.814 1.00 0.00 C ATOM 0 H ALA A 72 0.063 5.974 3.441 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.529 8.005 1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.492 6.112 0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.249 5.885 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.938 4.972 1.304 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.824 8.334 2.479 1.00 0.00 N ATOM 1217 CA PRO A 73 -4.230 8.488 2.882 1.00 0.00 C ATOM 1218 C PRO A 73 -5.200 7.882 1.852 1.00 0.00 C ATOM 1219 O PRO A 73 -5.141 8.251 0.679 1.00 0.00 O ATOM 1220 CB PRO A 73 -4.459 10.003 3.024 1.00 0.00 C ATOM 1221 CG PRO A 73 -3.056 10.608 3.105 1.00 0.00 C ATOM 1222 CD PRO A 73 -2.199 9.636 2.305 1.00 0.00 C ATOM 0 HA PRO A 73 -4.424 7.956 3.813 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.012 10.400 2.173 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.040 10.233 3.917 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.027 11.611 2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.713 10.689 4.137 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.165 9.917 1.253 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.171 9.629 2.667 1.00 0.00 H new ATOM 1230 N VAL A 74 -6.114 7.000 2.261 1.00 0.00 N ATOM 1231 CA VAL A 74 -7.129 6.349 1.410 1.00 0.00 C ATOM 1232 C VAL A 74 -8.538 6.740 1.883 1.00 0.00 C ATOM 1233 O VAL A 74 -8.904 6.518 3.037 1.00 0.00 O ATOM 1234 CB VAL A 74 -6.968 4.809 1.396 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -7.998 4.150 0.474 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -5.575 4.304 1.003 1.00 0.00 C ATOM 0 H VAL A 74 -6.175 6.703 3.235 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.983 6.698 0.388 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.130 4.522 2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.858 3.069 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.003 4.390 0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.867 4.521 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.564 3.214 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.332 4.651 -0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.837 4.687 1.708 1.00 0.00 H new ATOM 1246 N GLU A 75 -9.351 7.278 0.968 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.739 7.720 1.209 1.00 0.00 C ATOM 1248 C GLU A 75 -11.782 6.874 0.450 1.00 0.00 C ATOM 1249 O GLU A 75 -12.986 7.042 0.655 1.00 0.00 O ATOM 1250 CB GLU A 75 -10.874 9.199 0.802 1.00 0.00 C ATOM 1251 CG GLU A 75 -10.096 10.158 1.711 1.00 0.00 C ATOM 1252 CD GLU A 75 -10.218 11.609 1.208 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -11.225 12.288 1.530 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -9.307 12.086 0.489 1.00 0.00 O ATOM 0 H GLU A 75 -9.055 7.425 0.003 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.943 7.590 2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.524 9.319 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.928 9.476 0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.476 10.089 2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.046 9.866 1.742 1.00 0.00 H new ATOM 1261 N GLN A 76 -11.334 5.977 -0.438 1.00 0.00 N ATOM 1262 CA GLN A 76 -12.163 5.090 -1.250 1.00 0.00 C ATOM 1263 C GLN A 76 -11.362 3.869 -1.734 1.00 0.00 C ATOM 1264 O GLN A 76 -10.169 3.988 -2.033 1.00 0.00 O ATOM 1265 CB GLN A 76 -12.779 5.866 -2.437 1.00 0.00 C ATOM 1266 CG GLN A 76 -11.837 6.259 -3.594 1.00 0.00 C ATOM 1267 CD GLN A 76 -10.691 7.197 -3.212 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -10.806 8.414 -3.250 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -9.537 6.674 -2.848 1.00 0.00 N ATOM 0 H GLN A 76 -10.338 5.848 -0.615 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.977 4.718 -0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.587 5.263 -2.851 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.230 6.778 -2.046 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.414 5.350 -4.021 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.428 6.734 -4.377 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.425 5.661 -2.811 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.756 7.283 -2.603 1.00 0.00 H new ATOM 1278 N TYR A 77 -12.025 2.719 -1.858 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.445 1.466 -2.365 1.00 0.00 C ATOM 1280 C TYR A 77 -12.387 0.769 -3.375 1.00 0.00 C ATOM 1281 O TYR A 77 -13.525 0.462 -2.999 1.00 0.00 O ATOM 1282 CB TYR A 77 -11.113 0.549 -1.166 1.00 0.00 C ATOM 1283 CG TYR A 77 -10.186 -0.634 -1.414 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -9.103 -0.500 -2.297 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -10.300 -1.816 -0.653 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -8.116 -1.487 -2.398 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -9.339 -2.839 -0.786 1.00 0.00 C ATOM 1288 CZ TYR A 77 -8.231 -2.673 -1.647 1.00 0.00 C ATOM 1289 OH TYR A 77 -7.267 -3.628 -1.724 1.00 0.00 O ATOM 0 H TYR A 77 -13.008 2.626 -1.603 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.527 1.689 -2.909 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.668 1.166 -0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -12.052 0.162 -0.770 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.030 0.385 -2.912 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -11.125 -1.938 0.033 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.268 -1.340 -3.050 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.450 -3.756 -0.226 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.667 -4.510 -1.571 1.00 0.00 H new ATOM 1299 N PRO A 78 -11.965 0.499 -4.633 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.712 0.922 -5.281 1.00 0.00 C ATOM 1301 C PRO A 78 -10.612 2.447 -5.476 1.00 0.00 C ATOM 1302 O PRO A 78 -11.620 3.156 -5.458 1.00 0.00 O ATOM 1303 CB PRO A 78 -10.685 0.185 -6.626 1.00 0.00 C ATOM 1304 CG PRO A 78 -12.165 0.039 -6.970 1.00 0.00 C ATOM 1305 CD PRO A 78 -12.797 -0.207 -5.602 1.00 0.00 C ATOM 0 HA PRO A 78 -9.856 0.674 -4.653 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.148 0.753 -7.386 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.192 -0.784 -6.545 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.562 0.936 -7.445 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.343 -0.790 -7.655 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.822 0.162 -5.576 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.836 -1.273 -5.378 1.00 0.00 H new ATOM 1313 N GLY A 79 -9.391 2.953 -5.679 1.00 0.00 N ATOM 1314 CA GLY A 79 -9.115 4.372 -5.944 1.00 0.00 C ATOM 1315 C GLY A 79 -7.702 4.622 -6.485 1.00 0.00 C ATOM 1316 O GLY A 79 -7.079 3.728 -7.056 1.00 0.00 O ATOM 0 H GLY A 79 -8.549 2.377 -5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.844 4.749 -6.661 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.250 4.940 -5.023 1.00 0.00 H new ATOM 1320 N ILE A 80 -7.176 5.837 -6.290 1.00 0.00 N ATOM 1321 CA ILE A 80 -5.788 6.196 -6.646 1.00 0.00 C ATOM 1322 C ILE A 80 -4.805 5.933 -5.493 1.00 0.00 C ATOM 1323 O ILE A 80 -3.613 5.721 -5.720 1.00 0.00 O ATOM 1324 CB ILE A 80 -5.734 7.658 -7.155 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.388 8.053 -7.802 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -6.040 8.678 -6.042 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -3.932 7.136 -8.945 1.00 0.00 C ATOM 0 H ILE A 80 -7.701 6.608 -5.878 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.462 5.546 -7.458 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.508 7.689 -7.922 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.468 9.072 -8.182 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.618 8.060 -7.031 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.990 9.688 -6.450 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.039 8.496 -5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.308 8.573 -5.241 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.979 7.490 -9.338 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.815 6.119 -8.571 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.678 7.146 -9.740 1.00 0.00 H new ATOM 1339 N ALA A 81 -5.299 5.920 -4.249 1.00 0.00 N ATOM 1340 CA ALA A 81 -4.468 5.731 -3.067 1.00 0.00 C ATOM 1341 C ALA A 81 -4.194 4.261 -2.738 1.00 0.00 C ATOM 1342 O ALA A 81 -3.209 3.977 -2.071 1.00 0.00 O ATOM 1343 CB ALA A 81 -5.102 6.459 -1.889 1.00 0.00 C ATOM 0 H ALA A 81 -6.290 6.041 -4.040 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.489 6.158 -3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.485 6.321 -1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.178 7.522 -2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.098 6.055 -1.705 1.00 0.00 H new ATOM 1349 N VAL A 82 -5.022 3.337 -3.224 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.737 1.899 -3.284 1.00 0.00 C ATOM 1351 C VAL A 82 -5.352 1.285 -4.555 1.00 0.00 C ATOM 1352 O VAL A 82 -6.514 1.527 -4.887 1.00 0.00 O ATOM 1353 CB VAL A 82 -5.213 1.205 -2.000 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.675 1.501 -1.689 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.836 -0.275 -2.015 1.00 0.00 C ATOM 0 H VAL A 82 -5.940 3.574 -3.600 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.660 1.745 -3.346 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.680 1.632 -1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.963 0.987 -0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.810 2.575 -1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.300 1.153 -2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.182 -0.748 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.303 -0.761 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.753 -0.374 -2.088 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.572 0.473 -5.266 1.00 0.00 N ATOM 1366 CA GLU A 83 -4.981 -0.259 -6.472 1.00 0.00 C ATOM 1367 C GLU A 83 -4.339 -1.651 -6.542 1.00 0.00 C ATOM 1368 O GLU A 83 -3.214 -1.849 -6.084 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.624 0.561 -7.731 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.840 0.863 -8.614 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.356 -0.388 -9.348 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -6.112 -0.518 -10.571 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -7.004 -1.244 -8.700 1.00 0.00 O ATOM 0 H GLU A 83 -3.600 0.297 -5.011 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.061 -0.401 -6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.161 1.500 -7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.884 0.015 -8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.639 1.276 -7.998 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.574 1.626 -9.345 1.00 0.00 H new ATOM 1380 N THR A 84 -5.023 -2.609 -7.168 1.00 0.00 N ATOM 1381 CA THR A 84 -4.501 -3.955 -7.442 1.00 0.00 C ATOM 1382 C THR A 84 -4.086 -4.025 -8.904 1.00 0.00 C ATOM 1383 O THR A 84 -4.867 -4.380 -9.781 1.00 0.00 O ATOM 1384 CB THR A 84 -5.509 -5.062 -7.123 1.00 0.00 C ATOM 1385 OG1 THR A 84 -6.264 -4.797 -5.956 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.811 -6.396 -6.906 1.00 0.00 C ATOM 0 H THR A 84 -5.975 -2.472 -7.507 1.00 0.00 H new ATOM 0 HA THR A 84 -3.645 -4.125 -6.788 1.00 0.00 H new ATOM 0 HB THR A 84 -6.173 -5.100 -7.986 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.892 -5.533 -5.799 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.553 -7.162 -6.681 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.266 -6.672 -7.808 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.114 -6.310 -6.073 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.828 -3.650 -9.125 1.00 0.00 N ATOM 1395 CA VAL A 85 -1.955 -3.910 -10.290 1.00 0.00 C ATOM 1396 C VAL A 85 -2.651 -4.215 -11.625 1.00 0.00 C ATOM 1397 O VAL A 85 -2.660 -3.365 -12.519 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.897 -4.978 -9.947 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.260 -4.297 -9.217 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.406 -6.124 -9.061 1.00 0.00 C ATOM 0 H VAL A 85 -2.334 -3.098 -8.424 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.475 -2.950 -10.479 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.600 -5.425 -10.896 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.019 -5.038 -8.966 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.697 -3.534 -9.861 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.110 -3.833 -8.303 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.594 -6.826 -8.872 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.764 -5.720 -8.114 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.222 -6.640 -9.567 1.00 0.00 H new ATOM 1410 N THR A 86 -3.215 -5.416 -11.749 1.00 0.00 N ATOM 1411 CA THR A 86 -4.309 -5.747 -12.678 1.00 0.00 C ATOM 1412 C THR A 86 -5.363 -6.619 -12.003 1.00 0.00 C ATOM 1413 O THR A 86 -6.554 -6.306 -12.054 1.00 0.00 O ATOM 1414 CB THR A 86 -3.832 -6.495 -13.928 1.00 0.00 C ATOM 1415 OG1 THR A 86 -2.941 -7.535 -13.593 1.00 0.00 O ATOM 1416 CG2 THR A 86 -3.089 -5.556 -14.857 1.00 0.00 C ATOM 0 H THR A 86 -2.917 -6.215 -11.190 1.00 0.00 H new ATOM 0 HA THR A 86 -4.727 -4.785 -12.975 1.00 0.00 H new ATOM 0 HB THR A 86 -4.721 -6.901 -14.411 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.654 -7.996 -14.409 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.758 -6.104 -15.739 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.751 -4.745 -15.161 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.223 -5.143 -14.340 1.00 0.00 H new ATOM 1424 N ASP A 87 -4.926 -7.721 -11.387 1.00 0.00 N ATOM 1425 CA ASP A 87 -5.836 -8.786 -10.938 1.00 0.00 C ATOM 1426 C ASP A 87 -5.317 -9.601 -9.741 1.00 0.00 C ATOM 1427 O ASP A 87 -5.953 -9.573 -8.685 1.00 0.00 O ATOM 1428 CB ASP A 87 -6.171 -9.693 -12.131 1.00 0.00 C ATOM 1429 CG ASP A 87 -7.587 -9.454 -12.676 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -8.566 -9.718 -11.937 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -7.731 -9.040 -13.852 1.00 0.00 O ATOM 0 H ASP A 87 -3.943 -7.902 -11.186 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.739 -8.301 -10.566 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.446 -9.523 -12.927 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.073 -10.736 -11.829 1.00 0.00 H new ATOM 1436 N SER A 88 -4.173 -10.296 -9.860 1.00 0.00 N ATOM 1437 CA SER A 88 -3.517 -10.897 -8.679 1.00 0.00 C ATOM 1438 C SER A 88 -3.297 -9.895 -7.559 1.00 0.00 C ATOM 1439 O SER A 88 -2.813 -8.781 -7.755 1.00 0.00 O ATOM 1440 CB SER A 88 -2.155 -11.535 -8.926 1.00 0.00 C ATOM 1441 OG SER A 88 -1.736 -12.295 -7.819 1.00 0.00 O ATOM 0 H SER A 88 -3.688 -10.456 -10.743 1.00 0.00 H new ATOM 0 HA SER A 88 -4.232 -11.675 -8.411 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.205 -12.172 -9.809 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.420 -10.758 -9.135 1.00 0.00 H new ATOM 0 HG SER A 88 -1.309 -13.120 -8.131 1.00 0.00 H new ATOM 1447 N SER A 89 -3.593 -10.349 -6.356 1.00 0.00 N ATOM 1448 CA SER A 89 -3.586 -9.549 -5.144 1.00 0.00 C ATOM 1449 C SER A 89 -2.350 -9.781 -4.278 1.00 0.00 C ATOM 1450 O SER A 89 -2.315 -9.375 -3.121 1.00 0.00 O ATOM 1451 CB SER A 89 -4.923 -9.779 -4.471 1.00 0.00 C ATOM 1452 OG SER A 89 -5.105 -11.153 -4.137 1.00 0.00 O ATOM 0 H SER A 89 -3.855 -11.321 -6.189 1.00 0.00 H new ATOM 0 HA SER A 89 -3.489 -8.486 -5.364 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.987 -9.171 -3.568 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.726 -9.454 -5.132 1.00 0.00 H new ATOM 0 HG SER A 89 -5.975 -11.272 -3.703 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.312 -10.392 -4.871 1.00 0.00 N ATOM 1459 CA ARG A 90 0.068 -10.507 -4.360 1.00 0.00 C ATOM 1460 C ARG A 90 0.800 -9.155 -4.315 1.00 0.00 C ATOM 1461 O ARG A 90 1.682 -8.960 -3.476 1.00 0.00 O ATOM 1462 CB ARG A 90 0.769 -11.530 -5.274 1.00 0.00 C ATOM 1463 CG ARG A 90 2.165 -11.978 -4.807 1.00 0.00 C ATOM 1464 CD ARG A 90 2.890 -12.836 -5.862 1.00 0.00 C ATOM 1465 NE ARG A 90 2.156 -14.083 -6.167 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.342 -14.283 -7.192 1.00 0.00 C ATOM 1467 NH1 ARG A 90 0.525 -15.288 -7.223 1.00 0.00 N ATOM 1468 NH2 ARG A 90 1.280 -13.509 -8.229 1.00 0.00 N ATOM 0 H ARG A 90 -1.418 -10.848 -5.777 1.00 0.00 H new ATOM 0 HA ARG A 90 0.073 -10.841 -3.322 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.133 -12.411 -5.361 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.858 -11.101 -6.272 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.769 -11.099 -4.580 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.070 -12.547 -3.882 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.014 -12.256 -6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.889 -13.083 -5.503 1.00 0.00 H new ATOM 0 HE ARG A 90 2.290 -14.865 -5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.499 -15.948 -6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.092 -15.419 -8.025 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.882 -12.688 -8.289 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.629 -13.721 -8.985 1.00 0.00 H new ATOM 1482 N TYR A 91 0.399 -8.223 -5.183 1.00 0.00 N ATOM 1483 CA TYR A 91 0.907 -6.851 -5.260 1.00 0.00 C ATOM 1484 C TYR A 91 -0.201 -5.801 -5.137 1.00 0.00 C ATOM 1485 O TYR A 91 -1.373 -6.078 -5.398 1.00 0.00 O ATOM 1486 CB TYR A 91 1.605 -6.618 -6.604 1.00 0.00 C ATOM 1487 CG TYR A 91 2.573 -7.686 -7.037 1.00 0.00 C ATOM 1488 CD1 TYR A 91 3.852 -7.756 -6.460 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.187 -8.592 -8.041 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.747 -8.759 -6.875 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.083 -9.576 -8.484 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.362 -9.673 -7.882 1.00 0.00 C ATOM 1493 OH TYR A 91 5.242 -10.633 -8.263 1.00 0.00 O ATOM 0 H TYR A 91 -0.320 -8.412 -5.882 1.00 0.00 H new ATOM 0 HA TYR A 91 1.598 -6.740 -4.424 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.841 -6.513 -7.375 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.139 -5.669 -6.554 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.146 -7.044 -5.703 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.199 -8.530 -8.472 1.00 0.00 H new ATOM 0 HE1 TYR A 91 5.726 -8.830 -6.425 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.801 -10.253 -9.276 1.00 0.00 H new ATOM 0 HH TYR A 91 4.838 -11.188 -8.963 1.00 0.00 H new ATOM 1503 N PHE A 92 0.213 -4.566 -4.850 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.615 -3.359 -4.927 1.00 0.00 C ATOM 1505 C PHE A 92 0.189 -2.180 -5.474 1.00 0.00 C ATOM 1506 O PHE A 92 1.412 -2.242 -5.588 1.00 0.00 O ATOM 1507 CB PHE A 92 -1.182 -3.011 -3.545 1.00 0.00 C ATOM 1508 CG PHE A 92 -2.034 -4.119 -2.977 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -3.349 -4.312 -3.443 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.475 -4.999 -2.038 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -4.107 -5.400 -2.976 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.244 -6.068 -1.556 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.550 -6.282 -2.033 1.00 0.00 C ATOM 0 H PHE A 92 1.167 -4.371 -4.547 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.441 -3.559 -5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.360 -2.801 -2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.776 -2.100 -3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.775 -3.624 -4.159 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.463 -4.855 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.112 -5.558 -3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.830 -6.733 -0.812 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.125 -7.123 -1.675 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.500 -1.080 -5.756 1.00 0.00 N ATOM 1524 CA VAL A 93 0.084 0.252 -5.924 1.00 0.00 C ATOM 1525 C VAL A 93 -0.642 1.222 -4.999 1.00 0.00 C ATOM 1526 O VAL A 93 -1.868 1.178 -4.914 1.00 0.00 O ATOM 1527 CB VAL A 93 0.011 0.719 -7.386 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.595 2.127 -7.537 1.00 0.00 C ATOM 1529 CG2 VAL A 93 0.785 -0.241 -8.300 1.00 0.00 C ATOM 0 H VAL A 93 -1.513 -1.088 -5.878 1.00 0.00 H new ATOM 0 HA VAL A 93 1.141 0.217 -5.661 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.040 0.730 -7.676 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.533 2.437 -8.580 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.030 2.824 -6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.638 2.124 -7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.721 0.107 -9.331 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.830 -0.273 -7.992 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.354 -1.240 -8.227 1.00 0.00 H new ATOM 1539 N ILE A 94 0.092 2.106 -4.322 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.472 3.185 -3.503 1.00 0.00 C ATOM 1541 C ILE A 94 0.167 4.526 -3.883 1.00 0.00 C ATOM 1542 O ILE A 94 1.358 4.578 -4.212 1.00 0.00 O ATOM 1543 CB ILE A 94 -0.364 2.866 -1.986 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.095 2.841 -1.489 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -1.039 1.521 -1.649 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.196 2.720 0.033 1.00 0.00 C ATOM 0 H ILE A 94 1.112 2.094 -4.326 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.539 3.266 -3.712 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.884 3.674 -1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.618 2.004 -1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.601 3.751 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.947 1.325 -0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.094 1.565 -1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.554 0.720 -2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.245 2.707 0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.698 3.570 0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.716 1.796 0.357 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.601 5.624 -3.815 1.00 0.00 N ATOM 1559 CA ARG A 95 -0.039 6.988 -3.862 1.00 0.00 C ATOM 1560 C ARG A 95 0.257 7.464 -2.442 1.00 0.00 C ATOM 1561 O ARG A 95 -0.663 7.598 -1.639 1.00 0.00 O ATOM 1562 CB ARG A 95 -0.862 7.951 -4.750 1.00 0.00 C ATOM 1563 CG ARG A 95 -2.064 8.693 -4.147 1.00 0.00 C ATOM 1564 CD ARG A 95 -1.708 9.943 -3.324 1.00 0.00 C ATOM 1565 NE ARG A 95 -2.910 10.502 -2.678 1.00 0.00 N ATOM 1566 CZ ARG A 95 -3.531 9.974 -1.640 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -4.659 10.451 -1.207 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -3.071 8.934 -1.010 1.00 0.00 N ATOM 0 H ARG A 95 -1.617 5.596 -3.727 1.00 0.00 H new ATOM 0 HA ARG A 95 0.920 6.974 -4.380 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.176 8.703 -5.140 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.226 7.378 -5.603 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -2.734 8.987 -4.955 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.617 8.002 -3.510 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.968 9.687 -2.566 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -1.255 10.694 -3.971 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.292 11.365 -3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.086 11.253 -1.672 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.118 10.024 -0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.201 8.497 -1.314 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.580 8.555 -0.212 1.00 0.00 H new ATOM 1582 N ILE A 96 1.521 7.715 -2.135 1.00 0.00 N ATOM 1583 CA ILE A 96 2.017 8.210 -0.843 1.00 0.00 C ATOM 1584 C ILE A 96 2.284 9.716 -0.888 1.00 0.00 C ATOM 1585 O ILE A 96 2.517 10.275 -1.958 1.00 0.00 O ATOM 1586 CB ILE A 96 3.303 7.462 -0.419 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.386 7.520 -1.520 1.00 0.00 C ATOM 1588 CG2 ILE A 96 2.987 6.009 -0.039 1.00 0.00 C ATOM 1589 CD1 ILE A 96 5.787 7.226 -1.000 1.00 0.00 C ATOM 0 H ILE A 96 2.273 7.574 -2.809 1.00 0.00 H new ATOM 0 HA ILE A 96 1.239 8.019 -0.104 1.00 0.00 H new ATOM 0 HB ILE A 96 3.703 7.968 0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.138 6.803 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.376 8.509 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.906 5.502 0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.282 5.995 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.548 5.496 -0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.500 7.283 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.053 7.958 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 96 5.812 6.226 -0.567 1.00 0.00 H new ATOM 1601 N GLN A 97 2.351 10.355 0.278 1.00 0.00 N ATOM 1602 CA GLN A 97 3.108 11.597 0.456 1.00 0.00 C ATOM 1603 C GLN A 97 4.590 11.217 0.658 1.00 0.00 C ATOM 1604 O GLN A 97 4.904 10.332 1.458 1.00 0.00 O ATOM 1605 CB GLN A 97 2.475 12.406 1.603 1.00 0.00 C ATOM 1606 CG GLN A 97 2.706 13.924 1.498 1.00 0.00 C ATOM 1607 CD GLN A 97 4.065 14.408 1.995 1.00 0.00 C ATOM 1608 OE1 GLN A 97 4.882 13.671 2.524 1.00 0.00 O ATOM 1609 NE2 GLN A 97 4.358 15.684 1.881 1.00 0.00 N ATOM 0 H GLN A 97 1.885 10.030 1.125 1.00 0.00 H new ATOM 0 HA GLN A 97 3.070 12.253 -0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.403 12.212 1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.880 12.052 2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.590 14.222 0.456 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.927 14.434 2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.694 16.323 1.443 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.249 16.036 2.230 1.00 0.00 H new ATOM 1682 N SER A 103 4.006 14.235 -3.452 1.00 0.00 N ATOM 1683 CA SER A 103 3.426 12.882 -3.468 1.00 0.00 C ATOM 1684 C SER A 103 4.053 12.008 -4.568 1.00 0.00 C ATOM 1685 O SER A 103 4.572 12.529 -5.559 1.00 0.00 O ATOM 1686 CB SER A 103 1.901 12.950 -3.632 1.00 0.00 C ATOM 1687 OG SER A 103 1.309 13.650 -2.548 1.00 0.00 O ATOM 0 HA SER A 103 3.653 12.415 -2.510 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.653 13.446 -4.570 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.491 11.942 -3.687 1.00 0.00 H new ATOM 0 HG SER A 103 1.965 14.265 -2.159 1.00 0.00 H new ATOM 1693 N ALA A 104 4.018 10.684 -4.394 1.00 0.00 N ATOM 1694 CA ALA A 104 4.624 9.695 -5.295 1.00 0.00 C ATOM 1695 C ALA A 104 3.816 8.388 -5.363 1.00 0.00 C ATOM 1696 O ALA A 104 3.153 8.013 -4.399 1.00 0.00 O ATOM 1697 CB ALA A 104 6.064 9.432 -4.831 1.00 0.00 C ATOM 0 H ALA A 104 3.551 10.255 -3.595 1.00 0.00 H new ATOM 0 HA ALA A 104 4.624 10.099 -6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.530 8.699 -5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.632 10.362 -4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.053 9.048 -3.811 1.00 0.00 H new ATOM 1703 N PHE A 105 3.895 7.664 -6.483 1.00 0.00 N ATOM 1704 CA PHE A 105 3.328 6.317 -6.620 1.00 0.00 C ATOM 1705 C PHE A 105 4.383 5.245 -6.315 1.00 0.00 C ATOM 1706 O PHE A 105 5.477 5.266 -6.886 1.00 0.00 O ATOM 1707 CB PHE A 105 2.724 6.131 -8.021 1.00 0.00 C ATOM 1708 CG PHE A 105 1.742 7.221 -8.409 1.00 0.00 C ATOM 1709 CD1 PHE A 105 2.147 8.261 -9.268 1.00 0.00 C ATOM 1710 CD2 PHE A 105 0.442 7.230 -7.870 1.00 0.00 C ATOM 1711 CE1 PHE A 105 1.263 9.309 -9.579 1.00 0.00 C ATOM 1712 CE2 PHE A 105 -0.444 8.272 -8.192 1.00 0.00 C ATOM 1713 CZ PHE A 105 -0.038 9.313 -9.043 1.00 0.00 C ATOM 0 H PHE A 105 4.358 7.998 -7.328 1.00 0.00 H new ATOM 0 HA PHE A 105 2.526 6.201 -5.891 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.530 6.102 -8.754 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.219 5.166 -8.065 1.00 0.00 H new ATOM 0 HD1 PHE A 105 3.141 8.253 -9.690 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.126 6.436 -7.209 1.00 0.00 H new ATOM 0 HE1 PHE A 105 1.582 10.110 -10.229 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -1.443 8.272 -7.783 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.722 10.113 -9.285 1.00 0.00 H new ATOM 1723 N ILE A 106 4.048 4.287 -5.446 1.00 0.00 N ATOM 1724 CA ILE A 106 4.867 3.091 -5.178 1.00 0.00 C ATOM 1725 C ILE A 106 4.089 1.792 -5.393 1.00 0.00 C ATOM 1726 O ILE A 106 2.953 1.645 -4.944 1.00 0.00 O ATOM 1727 CB ILE A 106 5.534 3.103 -3.783 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.539 3.329 -2.624 1.00 0.00 C ATOM 1729 CG2 ILE A 106 6.658 4.155 -3.755 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.126 3.026 -1.239 1.00 0.00 C ATOM 0 H ILE A 106 3.188 4.317 -4.898 1.00 0.00 H new ATOM 0 HA ILE A 106 5.670 3.129 -5.914 1.00 0.00 H new ATOM 0 HB ILE A 106 5.952 2.109 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 106 4.198 4.364 -2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.662 2.701 -2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.126 4.161 -2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.405 3.910 -4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.240 5.140 -3.964 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.369 3.208 -0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.441 1.983 -1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 106 5.985 3.672 -1.059 1.00 0.00 H new ATOM 1742 N GLY A 107 4.741 0.832 -6.050 1.00 0.00 N ATOM 1743 CA GLY A 107 4.301 -0.559 -6.125 1.00 0.00 C ATOM 1744 C GLY A 107 4.798 -1.345 -4.914 1.00 0.00 C ATOM 1745 O GLY A 107 5.937 -1.160 -4.476 1.00 0.00 O ATOM 0 H GLY A 107 5.610 1.005 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.213 -0.600 -6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.676 -1.016 -7.041 1.00 0.00 H new ATOM 1749 N ILE A 108 3.953 -2.216 -4.374 1.00 0.00 N ATOM 1750 CA ILE A 108 4.228 -3.042 -3.194 1.00 0.00 C ATOM 1751 C ILE A 108 4.118 -4.520 -3.572 1.00 0.00 C ATOM 1752 O ILE A 108 3.206 -4.896 -4.308 1.00 0.00 O ATOM 1753 CB ILE A 108 3.273 -2.721 -2.024 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.119 -1.196 -1.817 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.795 -3.406 -0.749 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.362 -0.803 -0.548 1.00 0.00 C ATOM 0 H ILE A 108 3.021 -2.376 -4.757 1.00 0.00 H new ATOM 0 HA ILE A 108 5.239 -2.817 -2.855 1.00 0.00 H new ATOM 0 HB ILE A 108 2.281 -3.106 -2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.110 -0.744 -1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.601 -0.775 -2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.126 -3.185 0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.835 -4.484 -0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.794 -3.035 -0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.301 0.283 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.356 -1.222 -0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.889 -1.190 0.324 1.00 0.00 H new ATOM 1768 N GLY A 109 4.989 -5.362 -3.020 1.00 0.00 N ATOM 1769 CA GLY A 109 4.888 -6.820 -3.057 1.00 0.00 C ATOM 1770 C GLY A 109 5.179 -7.436 -1.689 1.00 0.00 C ATOM 1771 O GLY A 109 6.111 -7.033 -0.990 1.00 0.00 O ATOM 0 H GLY A 109 5.814 -5.036 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.888 -7.108 -3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.589 -7.216 -3.792 1.00 0.00 H new ATOM 1775 N PHE A 110 4.367 -8.412 -1.292 1.00 0.00 N ATOM 1776 CA PHE A 110 4.507 -9.118 -0.014 1.00 0.00 C ATOM 1777 C PHE A 110 5.284 -10.433 -0.140 1.00 0.00 C ATOM 1778 O PHE A 110 5.385 -11.030 -1.214 1.00 0.00 O ATOM 1779 CB PHE A 110 3.124 -9.353 0.598 1.00 0.00 C ATOM 1780 CG PHE A 110 2.462 -8.105 1.155 1.00 0.00 C ATOM 1781 CD1 PHE A 110 1.954 -7.102 0.302 1.00 0.00 C ATOM 1782 CD2 PHE A 110 2.357 -7.949 2.550 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.356 -5.951 0.845 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.733 -6.814 3.091 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.248 -5.808 2.238 1.00 0.00 C ATOM 0 H PHE A 110 3.582 -8.742 -1.853 1.00 0.00 H new ATOM 0 HA PHE A 110 5.096 -8.484 0.648 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.473 -9.786 -0.162 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.214 -10.089 1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.025 -7.219 -0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.758 -8.706 3.207 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.980 -5.178 0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.626 -6.714 4.161 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.791 -4.923 2.655 1.00 0.00 H new ATOM 1795 N THR A 111 5.796 -10.908 0.998 1.00 0.00 N ATOM 1796 CA THR A 111 6.490 -12.201 1.113 1.00 0.00 C ATOM 1797 C THR A 111 5.533 -13.398 1.010 1.00 0.00 C ATOM 1798 O THR A 111 5.924 -14.490 0.594 1.00 0.00 O ATOM 1799 CB THR A 111 7.315 -12.215 2.406 1.00 0.00 C ATOM 1800 OG1 THR A 111 8.301 -13.224 2.355 1.00 0.00 O ATOM 1801 CG2 THR A 111 6.489 -12.412 3.677 1.00 0.00 C ATOM 0 H THR A 111 5.741 -10.400 1.881 1.00 0.00 H new ATOM 0 HA THR A 111 7.166 -12.310 0.265 1.00 0.00 H new ATOM 0 HB THR A 111 7.766 -11.224 2.463 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.819 -13.218 3.187 1.00 0.00 H new ATOM 0 HG21 THR A 111 7.149 -12.409 4.544 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.765 -11.602 3.770 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.963 -13.365 3.625 1.00 0.00 H new ATOM 1809 N ASP A 112 4.253 -13.171 1.324 1.00 0.00 N ATOM 1810 CA ASP A 112 3.145 -14.117 1.142 1.00 0.00 C ATOM 1811 C ASP A 112 1.938 -13.437 0.470 1.00 0.00 C ATOM 1812 O ASP A 112 1.562 -12.319 0.837 1.00 0.00 O ATOM 1813 CB ASP A 112 2.751 -14.717 2.503 1.00 0.00 C ATOM 1814 CG ASP A 112 2.000 -16.045 2.338 1.00 0.00 C ATOM 1815 OD1 ASP A 112 0.839 -16.016 1.868 1.00 0.00 O ATOM 1816 OD2 ASP A 112 2.569 -17.116 2.658 1.00 0.00 O ATOM 0 H ASP A 112 3.947 -12.286 1.729 1.00 0.00 H new ATOM 0 HA ASP A 112 3.474 -14.920 0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.646 -14.877 3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 112 2.125 -14.009 3.046 1.00 0.00 H new ATOM 1821 N ARG A 113 1.284 -14.115 -0.483 1.00 0.00 N ATOM 1822 CA ARG A 113 0.073 -13.602 -1.155 1.00 0.00 C ATOM 1823 C ARG A 113 -1.113 -13.468 -0.190 1.00 0.00 C ATOM 1824 O ARG A 113 -1.953 -12.593 -0.379 1.00 0.00 O ATOM 1825 CB ARG A 113 -0.230 -14.486 -2.380 1.00 0.00 C ATOM 1826 CG ARG A 113 -1.167 -13.843 -3.420 1.00 0.00 C ATOM 1827 CD ARG A 113 -2.636 -14.234 -3.279 1.00 0.00 C ATOM 1828 NE ARG A 113 -3.495 -13.663 -4.339 1.00 0.00 N ATOM 1829 CZ ARG A 113 -3.554 -14.052 -5.602 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -4.366 -13.511 -6.451 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -2.823 -14.997 -6.101 1.00 0.00 N ATOM 0 H ARG A 113 1.576 -15.035 -0.813 1.00 0.00 H new ATOM 0 HA ARG A 113 0.255 -12.586 -1.507 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.710 -14.743 -2.868 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.676 -15.419 -2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -1.084 -12.759 -3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.825 -14.119 -4.418 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.720 -15.321 -3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -3.002 -13.904 -2.307 1.00 0.00 H new ATOM 0 HE ARG A 113 -4.104 -12.891 -4.069 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.988 -12.759 -6.154 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.385 -13.836 -7.418 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.153 -15.489 -5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -2.917 -15.249 -7.085 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.149 -14.257 0.886 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.090 -14.102 1.997 1.00 0.00 C ATOM 1847 C GLY A 114 -1.820 -12.862 2.859 1.00 0.00 C ATOM 1848 O GLY A 114 -2.766 -12.204 3.289 1.00 0.00 O ATOM 0 H GLY A 114 -0.509 -15.041 1.012 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.103 -14.045 1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.045 -14.990 2.628 1.00 0.00 H new ATOM 1852 N ASP A 115 -0.556 -12.466 3.050 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.231 -11.218 3.758 1.00 0.00 C ATOM 1854 C ASP A 115 -0.694 -9.989 2.957 1.00 0.00 C ATOM 1855 O ASP A 115 -1.210 -9.028 3.533 1.00 0.00 O ATOM 1856 CB ASP A 115 1.263 -11.139 4.116 1.00 0.00 C ATOM 1857 CG ASP A 115 1.705 -12.153 5.185 1.00 0.00 C ATOM 1858 OD1 ASP A 115 2.915 -12.476 5.236 1.00 0.00 O ATOM 1859 OD2 ASP A 115 0.866 -12.582 6.012 1.00 0.00 O ATOM 0 H ASP A 115 0.258 -12.989 2.726 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.781 -11.220 4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.851 -11.299 3.213 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.489 -10.133 4.469 1.00 0.00 H new ATOM 1864 N ALA A 116 -0.617 -10.063 1.625 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.193 -9.068 0.726 1.00 0.00 C ATOM 1866 C ALA A 116 -2.740 -9.119 0.680 1.00 0.00 C ATOM 1867 O ALA A 116 -3.407 -8.084 0.668 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.578 -9.294 -0.655 1.00 0.00 C ATOM 0 H ALA A 116 -0.147 -10.826 1.138 1.00 0.00 H new ATOM 0 HA ALA A 116 -0.959 -8.069 1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.985 -8.567 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.504 -9.175 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.814 -10.301 -0.998 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.349 -10.306 0.747 1.00 0.00 N ATOM 1875 CA PHE A 117 -4.804 -10.452 0.889 1.00 0.00 C ATOM 1876 C PHE A 117 -5.322 -9.754 2.163 1.00 0.00 C ATOM 1877 O PHE A 117 -6.387 -9.135 2.137 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.154 -11.943 0.871 1.00 0.00 C ATOM 1879 CG PHE A 117 -6.617 -12.263 0.631 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.572 -12.045 1.644 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.016 -12.853 -0.583 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -8.910 -12.427 1.450 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.350 -13.248 -0.765 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.300 -13.035 0.246 1.00 0.00 C ATOM 0 H PHE A 117 -2.849 -11.194 0.705 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.301 -9.961 0.052 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.561 -12.429 0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.855 -12.381 1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.274 -11.582 2.573 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -6.296 -13.002 -1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -9.639 -12.253 2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -8.648 -13.719 -1.690 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.326 -13.337 0.098 1.00 0.00 H new ATOM 1894 N ASP A 118 -4.556 -9.775 3.258 1.00 0.00 N ATOM 1895 CA ASP A 118 -4.904 -9.104 4.516 1.00 0.00 C ATOM 1896 C ASP A 118 -4.709 -7.579 4.436 1.00 0.00 C ATOM 1897 O ASP A 118 -5.463 -6.838 5.070 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.089 -9.712 5.669 1.00 0.00 C ATOM 1899 CG ASP A 118 -4.501 -11.153 6.015 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -3.618 -11.990 6.319 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -5.713 -11.466 6.008 1.00 0.00 O ATOM 0 H ASP A 118 -3.663 -10.266 3.297 1.00 0.00 H new ATOM 0 HA ASP A 118 -5.965 -9.268 4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.032 -9.698 5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.204 -9.087 6.554 1.00 0.00 H new ATOM 1906 N PHE A 119 -3.774 -7.093 3.606 1.00 0.00 N ATOM 1907 CA PHE A 119 -3.675 -5.673 3.254 1.00 0.00 C ATOM 1908 C PHE A 119 -4.966 -5.189 2.566 1.00 0.00 C ATOM 1909 O PHE A 119 -5.514 -4.151 2.940 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.409 -5.431 2.404 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.305 -4.077 1.716 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -3.039 -3.807 0.545 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -1.443 -3.091 2.220 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -2.951 -2.550 -0.083 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -1.393 -1.820 1.628 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.146 -1.546 0.476 1.00 0.00 C ATOM 0 H PHE A 119 -3.065 -7.676 3.161 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.573 -5.077 4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.537 -5.556 3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.356 -6.207 1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.676 -4.571 0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -0.814 -3.312 3.069 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -3.502 -2.359 -0.992 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.772 -1.049 2.061 1.00 0.00 H new ATOM 0 HZ PHE A 119 -2.106 -0.567 0.022 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.507 -5.981 1.632 1.00 0.00 N ATOM 1927 CA ASN A 120 -6.806 -5.730 1.000 1.00 0.00 C ATOM 1928 C ASN A 120 -7.963 -5.783 2.015 1.00 0.00 C ATOM 1929 O ASN A 120 -8.735 -4.829 2.110 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.974 -6.709 -0.179 1.00 0.00 C ATOM 1931 CG ASN A 120 -8.413 -7.044 -0.538 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -9.169 -6.246 -1.072 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.844 -8.249 -0.246 1.00 0.00 N ATOM 0 H ASN A 120 -5.048 -6.825 1.290 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.837 -4.714 0.607 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.486 -6.284 -1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.450 -7.635 0.060 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.804 -8.514 -0.465 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.219 -8.920 0.200 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.079 -6.854 2.810 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.210 -7.035 3.745 1.00 0.00 C ATOM 1942 C VAL A 121 -9.277 -5.929 4.802 1.00 0.00 C ATOM 1943 O VAL A 121 -10.375 -5.492 5.147 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.178 -8.435 4.393 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -10.160 -8.606 5.561 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -9.548 -9.502 3.356 1.00 0.00 C ATOM 0 H VAL A 121 -7.401 -7.616 2.828 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.124 -6.958 3.156 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.162 -8.548 4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.076 -9.616 5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -9.924 -7.885 6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -11.178 -8.439 5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -9.523 -10.487 3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -10.550 -9.307 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -8.834 -9.472 2.533 1.00 0.00 H new ATOM 1956 N SER A 122 -8.129 -5.404 5.245 1.00 0.00 N ATOM 1957 CA SER A 122 -8.061 -4.243 6.147 1.00 0.00 C ATOM 1958 C SER A 122 -8.783 -3.004 5.598 1.00 0.00 C ATOM 1959 O SER A 122 -9.284 -2.193 6.376 1.00 0.00 O ATOM 1960 CB SER A 122 -6.598 -3.872 6.387 1.00 0.00 C ATOM 1961 OG SER A 122 -6.496 -2.965 7.470 1.00 0.00 O ATOM 0 H SER A 122 -7.214 -5.773 4.987 1.00 0.00 H new ATOM 0 HA SER A 122 -8.561 -4.539 7.069 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.017 -4.770 6.599 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.176 -3.425 5.487 1.00 0.00 H new ATOM 0 HG SER A 122 -6.860 -3.380 8.280 1.00 0.00 H new ATOM 1967 N LEU A 123 -8.846 -2.853 4.271 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.519 -1.742 3.593 1.00 0.00 C ATOM 1969 C LEU A 123 -10.956 -2.105 3.192 1.00 0.00 C ATOM 1970 O LEU A 123 -11.842 -1.260 3.299 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.680 -1.290 2.390 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.228 -0.918 2.735 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -6.485 -0.516 1.468 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.121 0.224 3.749 1.00 0.00 C ATOM 0 H LEU A 123 -8.420 -3.516 3.624 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.603 -0.906 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.672 -2.088 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.163 -0.429 1.928 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.783 -1.803 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.457 -0.253 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -6.487 -1.349 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.979 0.343 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.071 0.436 3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.601 1.115 3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.615 -0.066 4.677 1.00 0.00 H new ATOM 1986 N GLN A 124 -11.222 -3.363 2.816 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.587 -3.846 2.563 1.00 0.00 C ATOM 1988 C GLN A 124 -13.469 -3.655 3.809 1.00 0.00 C ATOM 1989 O GLN A 124 -14.464 -2.936 3.757 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.596 -5.328 2.137 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.858 -5.637 0.823 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.478 -5.032 -0.438 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -13.595 -4.530 -0.466 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -11.769 -5.079 -1.544 1.00 0.00 N ATOM 0 H GLN A 124 -10.501 -4.072 2.679 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.993 -3.255 1.742 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -12.148 -5.921 2.934 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -13.631 -5.655 2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.832 -5.279 0.910 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.809 -6.719 0.700 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.837 -5.494 -1.535 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.151 -4.700 -2.411 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.056 -4.202 4.958 1.00 0.00 N ATOM 2004 CA ASP A 125 -13.748 -4.103 6.256 1.00 0.00 C ATOM 2005 C ASP A 125 -13.768 -2.674 6.820 1.00 0.00 C ATOM 2006 O ASP A 125 -14.548 -2.391 7.725 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.011 -5.033 7.231 1.00 0.00 C ATOM 2008 CG ASP A 125 -13.722 -5.256 8.574 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -14.687 -6.055 8.608 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -13.286 -4.690 9.605 1.00 0.00 O ATOM 0 H ASP A 125 -12.197 -4.748 5.015 1.00 0.00 H new ATOM 0 HA ASP A 125 -14.791 -4.390 6.121 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -12.866 -6.000 6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.021 -4.621 7.425 1.00 0.00 H new ATOM 2015 N HIS A 126 -12.955 -1.763 6.278 1.00 0.00 N ATOM 2016 CA HIS A 126 -12.950 -0.340 6.633 1.00 0.00 C ATOM 2017 C HIS A 126 -13.976 0.476 5.829 1.00 0.00 C ATOM 2018 O HIS A 126 -14.551 1.415 6.374 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.527 0.217 6.498 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.451 1.721 6.549 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -11.335 2.516 7.692 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.587 2.527 5.461 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -11.405 3.784 7.252 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.565 3.819 5.918 1.00 0.00 N ATOM 0 H HIS A 126 -12.266 -1.999 5.564 1.00 0.00 H new ATOM 0 HA HIS A 126 -13.263 -0.247 7.673 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -10.909 -0.195 7.296 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.101 -0.126 5.555 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.692 2.209 4.434 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -11.341 4.657 7.885 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -11.654 4.659 5.346 1.00 0.00 H new ATOM 2032 N PHE A 127 -14.255 0.118 4.568 1.00 0.00 N ATOM 2033 CA PHE A 127 -15.229 0.838 3.728 1.00 0.00 C ATOM 2034 C PHE A 127 -16.620 0.184 3.744 1.00 0.00 C ATOM 2035 O PHE A 127 -17.627 0.854 3.513 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.673 1.055 2.312 1.00 0.00 C ATOM 2037 CG PHE A 127 -13.552 2.084 2.257 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -13.814 3.432 2.577 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -12.238 1.695 1.926 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -12.766 4.368 2.608 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -11.190 2.634 1.951 1.00 0.00 C ATOM 2042 CZ PHE A 127 -11.454 3.968 2.309 1.00 0.00 C ATOM 0 H PHE A 127 -13.815 -0.675 4.101 1.00 0.00 H new ATOM 0 HA PHE A 127 -15.379 1.826 4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -14.305 0.105 1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -15.483 1.375 1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -14.823 3.746 2.799 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -12.034 0.670 1.652 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -12.971 5.397 2.862 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -10.185 2.331 1.696 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.647 4.685 2.354 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.676 -1.097 4.123 1.00 0.00 N ATOM 2053 CA LYS A 128 -17.857 -1.944 4.358 1.00 0.00 C ATOM 2054 C LYS A 128 -19.004 -1.279 5.143 1.00 0.00 C ATOM 2055 O LYS A 128 -20.171 -1.544 4.855 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.295 -3.197 5.059 1.00 0.00 C ATOM 2057 CG LYS A 128 -18.310 -4.189 5.620 1.00 0.00 C ATOM 2058 CD LYS A 128 -18.563 -4.027 7.127 1.00 0.00 C ATOM 2059 CE LYS A 128 -17.425 -4.558 8.007 1.00 0.00 C ATOM 2060 NZ LYS A 128 -17.345 -6.040 8.000 1.00 0.00 N ATOM 0 H LYS A 128 -15.816 -1.619 4.290 1.00 0.00 H new ATOM 0 HA LYS A 128 -18.352 -2.172 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -16.660 -3.727 4.349 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.654 -2.869 5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -19.254 -4.071 5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -17.960 -5.203 5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -18.718 -2.971 7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -19.485 -4.546 7.389 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -16.478 -4.145 7.659 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -17.568 -4.210 9.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -16.422 -6.340 8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.103 -6.431 8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.453 -6.389 7.026 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.685 -0.422 6.115 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.645 0.245 7.021 1.00 0.00 C ATOM 2076 C TRP A 129 -19.831 1.759 6.765 1.00 0.00 C ATOM 2077 O TRP A 129 -20.528 2.437 7.523 1.00 0.00 O ATOM 2078 CB TRP A 129 -19.258 -0.090 8.469 1.00 0.00 C ATOM 2079 CG TRP A 129 -17.834 0.206 8.819 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -16.797 -0.650 8.693 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.255 1.466 9.275 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.630 -0.015 9.042 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -15.843 1.301 9.393 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -17.783 2.743 9.552 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -14.994 2.354 9.770 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -16.941 3.813 9.917 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.552 3.617 10.034 1.00 0.00 C ATOM 0 H TRP A 129 -17.718 -0.158 6.306 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.639 -0.149 6.811 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -19.907 0.469 9.143 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.449 -1.148 8.646 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -16.874 -1.677 8.368 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -14.714 -0.464 9.042 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -18.849 2.904 9.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -13.929 2.196 9.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.364 4.788 10.108 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -14.914 4.438 10.327 1.00 0.00 H new ATOM 2098 N VAL A 130 -19.243 2.290 5.690 1.00 0.00 N ATOM 2099 CA VAL A 130 -19.299 3.708 5.261 1.00 0.00 C ATOM 2100 C VAL A 130 -19.648 3.799 3.759 1.00 0.00 C ATOM 2101 O VAL A 130 -20.197 2.853 3.186 1.00 0.00 O ATOM 2102 CB VAL A 130 -18.018 4.491 5.682 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -18.344 5.412 6.862 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.815 3.638 6.069 1.00 0.00 C ATOM 0 H VAL A 130 -18.683 1.720 5.056 1.00 0.00 H new ATOM 0 HA VAL A 130 -20.108 4.213 5.789 1.00 0.00 H new ATOM 0 HB VAL A 130 -17.726 5.038 4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -17.448 5.959 7.155 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -19.120 6.119 6.568 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -18.696 4.815 7.703 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.983 4.286 6.343 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -17.076 3.004 6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.525 3.013 5.224 1.00 0.00 H new