USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 556 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 32 ASN : amide:sc= -0.338 K(o=-1.2,f=-2.9) USER MOD Set 1.2: A 76 MET CE :methyl -153:sc= -0.902 (180deg=-0.828) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0279) USER MOD Single : A 24 LYS NZ :NH3+ 146:sc= -0.239! (180deg=-1.38!) USER MOD Single : A 34 MET CE :methyl 167:sc= -1.42 (180deg=-2.03) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.955 USER MOD Single : A 38 CYS SG : rot 180:sc= -1.25 USER MOD Single : A 43 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.14) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00128 USER MOD Single : A 47 GLN : amide:sc= -3.06 X(o=-3.1,f=-2.7!) USER MOD Single : A 51 ASN : amide:sc= -0.101 K(o=-0.1,f=-2!) USER MOD Single : A 53 THR OG1 : rot -169:sc= -0.868 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.22 USER MOD Single : A 67 SER OG : rot -16:sc= 0.577 USER MOD Single : A 69 ASN :FLIP amide:sc= -3.95! C(o=-5.1!,f=-4!) USER MOD Single : A 71 GLN : amide:sc= 0.0526 X(o=0.053,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -167:sc= -1.48 (180deg=-2.14) USER MOD Single : A 82 MET CE :methyl -117:sc= -2.67! (180deg=-5.11!) USER MOD ----------------------------------------------------------------- ATOM 178 N LYS A 15 20.284 4.864 -27.954 1.00 0.00 N ATOM 179 CA LYS A 15 21.342 5.358 -28.827 1.00 0.00 C ATOM 180 C LYS A 15 21.367 6.883 -28.843 1.00 0.00 C ATOM 181 O LYS A 15 22.406 7.492 -29.094 1.00 0.00 O ATOM 182 CB LYS A 15 21.149 4.825 -30.248 1.00 0.00 C ATOM 183 CG LYS A 15 22.451 4.620 -31.003 1.00 0.00 C ATOM 184 CD LYS A 15 22.863 5.874 -31.756 1.00 0.00 C ATOM 185 CE LYS A 15 24.174 5.672 -32.499 1.00 0.00 C ATOM 186 NZ LYS A 15 23.969 5.010 -33.817 1.00 0.00 N ATOM 0 HA LYS A 15 22.296 5.001 -28.438 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.613 3.877 -30.202 1.00 0.00 H new ATOM 0 HB3 LYS A 15 20.521 5.520 -30.806 1.00 0.00 H new ATOM 0 HG2 LYS A 15 23.238 4.340 -30.303 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.339 3.793 -31.705 1.00 0.00 H new ATOM 0 HD2 LYS A 15 22.081 6.148 -32.464 1.00 0.00 H new ATOM 0 HD3 LYS A 15 22.964 6.703 -31.056 1.00 0.00 H new ATOM 0 HE2 LYS A 15 24.659 6.637 -32.649 1.00 0.00 H new ATOM 0 HE3 LYS A 15 24.847 5.068 -31.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 24.886 4.890 -34.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.530 4.078 -33.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 23.347 5.598 -34.408 1.00 0.00 H new ATOM 200 N GLU A 16 20.217 7.492 -28.571 1.00 0.00 N ATOM 201 CA GLU A 16 20.109 8.946 -28.554 1.00 0.00 C ATOM 202 C GLU A 16 19.959 9.464 -27.127 1.00 0.00 C ATOM 203 O GLU A 16 20.724 10.318 -26.680 1.00 0.00 O ATOM 204 CB GLU A 16 18.919 9.401 -29.402 1.00 0.00 C ATOM 205 CG GLU A 16 17.795 8.382 -29.470 1.00 0.00 C ATOM 206 CD GLU A 16 16.706 8.778 -30.448 1.00 0.00 C ATOM 207 OE1 GLU A 16 16.021 9.791 -30.196 1.00 0.00 O ATOM 208 OE2 GLU A 16 16.540 8.074 -31.466 1.00 0.00 O ATOM 0 H GLU A 16 19.348 7.002 -28.360 1.00 0.00 H new ATOM 0 HA GLU A 16 21.025 9.358 -28.977 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.529 10.333 -28.994 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.265 9.616 -30.413 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.204 7.414 -29.760 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.360 8.260 -28.478 1.00 0.00 H new ATOM 215 N VAL A 17 18.965 8.940 -26.415 1.00 0.00 N ATOM 216 CA VAL A 17 18.714 9.348 -25.038 1.00 0.00 C ATOM 217 C VAL A 17 18.891 10.852 -24.869 1.00 0.00 C ATOM 218 O VAL A 17 19.176 11.336 -23.774 1.00 0.00 O ATOM 219 CB VAL A 17 19.651 8.618 -24.057 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.061 9.180 -24.148 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.117 8.721 -22.636 1.00 0.00 C ATOM 0 H VAL A 17 18.321 8.233 -26.769 1.00 0.00 H new ATOM 0 HA VAL A 17 17.682 9.079 -24.812 1.00 0.00 H new ATOM 0 HB VAL A 17 19.688 7.564 -24.332 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.709 8.652 -23.448 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.440 9.050 -25.162 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.046 10.241 -23.900 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.791 8.200 -21.956 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.050 9.770 -22.348 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.127 8.267 -22.585 1.00 0.00 H new ATOM 231 N VAL A 18 18.719 11.589 -25.962 1.00 0.00 N ATOM 232 CA VAL A 18 18.858 13.040 -25.936 1.00 0.00 C ATOM 233 C VAL A 18 17.546 13.725 -26.301 1.00 0.00 C ATOM 234 O VAL A 18 17.181 14.744 -25.715 1.00 0.00 O ATOM 235 CB VAL A 18 19.959 13.517 -26.902 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.326 13.044 -26.429 1.00 0.00 C ATOM 237 CG2 VAL A 18 19.676 13.027 -28.314 1.00 0.00 C ATOM 0 H VAL A 18 18.483 11.205 -26.877 1.00 0.00 H new ATOM 0 HA VAL A 18 19.136 13.312 -24.918 1.00 0.00 H new ATOM 0 HB VAL A 18 19.962 14.607 -26.913 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.091 13.390 -27.124 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.527 13.448 -25.437 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.340 11.955 -26.387 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.463 13.373 -28.984 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.646 11.937 -28.322 1.00 0.00 H new ATOM 0 HG23 VAL A 18 18.716 13.419 -28.650 1.00 0.00 H new ATOM 247 N TYR A 19 16.839 13.157 -27.272 1.00 0.00 N ATOM 248 CA TYR A 19 15.568 13.714 -27.718 1.00 0.00 C ATOM 249 C TYR A 19 14.410 13.156 -26.895 1.00 0.00 C ATOM 250 O TYR A 19 13.244 13.426 -27.182 1.00 0.00 O ATOM 251 CB TYR A 19 15.347 13.412 -29.201 1.00 0.00 C ATOM 252 CG TYR A 19 16.550 13.711 -30.066 1.00 0.00 C ATOM 253 CD1 TYR A 19 16.770 14.988 -30.568 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.467 12.716 -30.382 1.00 0.00 C ATOM 255 CE1 TYR A 19 17.867 15.265 -31.359 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.569 12.985 -31.172 1.00 0.00 C ATOM 257 CZ TYR A 19 18.764 14.261 -31.658 1.00 0.00 C ATOM 258 OH TYR A 19 19.859 14.532 -32.446 1.00 0.00 O ATOM 0 H TYR A 19 17.125 12.311 -27.765 1.00 0.00 H new ATOM 0 HA TYR A 19 15.604 14.794 -27.576 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.082 12.361 -29.313 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.499 13.995 -29.559 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.071 15.777 -30.335 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.316 11.716 -30.004 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.022 16.263 -31.742 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.273 12.201 -31.407 1.00 0.00 H new ATOM 0 HH TYR A 19 20.390 13.716 -32.559 1.00 0.00 H new ATOM 268 N TRP A 20 14.742 12.377 -25.872 1.00 0.00 N ATOM 269 CA TRP A 20 13.731 11.781 -25.006 1.00 0.00 C ATOM 270 C TRP A 20 12.787 12.845 -24.459 1.00 0.00 C ATOM 271 O TRP A 20 12.963 14.036 -24.717 1.00 0.00 O ATOM 272 CB TRP A 20 14.397 11.030 -23.852 1.00 0.00 C ATOM 273 CG TRP A 20 14.833 9.644 -24.218 1.00 0.00 C ATOM 274 CD1 TRP A 20 14.751 9.057 -25.449 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.416 8.670 -23.346 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.249 7.777 -25.394 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.664 7.516 -24.115 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.755 8.661 -21.990 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.233 6.368 -23.571 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.320 7.521 -21.452 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.555 6.387 -22.241 1.00 0.00 C ATOM 0 H TRP A 20 15.703 12.143 -25.622 1.00 0.00 H new ATOM 0 HA TRP A 20 13.149 11.077 -25.600 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.263 11.597 -23.511 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.702 10.975 -23.014 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.353 9.529 -26.335 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.301 7.127 -26.178 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.578 9.530 -21.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.414 5.493 -24.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.585 7.503 -20.405 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.999 5.511 -21.791 1.00 0.00 H new ATOM 292 N SER A 21 11.785 12.409 -23.702 1.00 0.00 N ATOM 293 CA SER A 21 10.811 13.325 -23.121 1.00 0.00 C ATOM 294 C SER A 21 11.058 13.504 -21.627 1.00 0.00 C ATOM 295 O SER A 21 11.803 12.751 -21.000 1.00 0.00 O ATOM 296 CB SER A 21 9.390 12.808 -23.357 1.00 0.00 C ATOM 297 OG SER A 21 8.798 13.437 -24.481 1.00 0.00 O ATOM 0 H SER A 21 11.627 11.427 -23.477 1.00 0.00 H new ATOM 0 HA SER A 21 10.923 14.294 -23.608 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.413 11.729 -23.510 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.781 12.991 -22.471 1.00 0.00 H new ATOM 0 HG SER A 21 7.892 13.088 -24.611 1.00 0.00 H new ATOM 303 N PRO A 22 10.418 14.527 -21.041 1.00 0.00 N ATOM 304 CA PRO A 22 10.551 14.831 -19.613 1.00 0.00 C ATOM 305 C PRO A 22 9.884 13.780 -18.732 1.00 0.00 C ATOM 306 O PRO A 22 10.123 13.723 -17.525 1.00 0.00 O ATOM 307 CB PRO A 22 9.841 16.179 -19.469 1.00 0.00 C ATOM 308 CG PRO A 22 8.867 16.216 -20.596 1.00 0.00 C ATOM 309 CD PRO A 22 9.514 15.466 -21.727 1.00 0.00 C ATOM 0 HA PRO A 22 11.594 14.847 -19.295 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.336 16.260 -18.506 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.547 17.007 -19.529 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.922 15.753 -20.311 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.644 17.243 -20.886 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.777 14.942 -22.335 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.059 16.135 -22.393 1.00 0.00 H new ATOM 317 N LYS A 23 9.046 12.949 -19.342 1.00 0.00 N ATOM 318 CA LYS A 23 8.344 11.898 -18.614 1.00 0.00 C ATOM 319 C LYS A 23 9.079 10.567 -18.737 1.00 0.00 C ATOM 320 O LYS A 23 8.935 9.686 -17.889 1.00 0.00 O ATOM 321 CB LYS A 23 6.914 11.754 -19.139 1.00 0.00 C ATOM 322 CG LYS A 23 6.080 13.015 -18.990 1.00 0.00 C ATOM 323 CD LYS A 23 5.443 13.103 -17.613 1.00 0.00 C ATOM 324 CE LYS A 23 4.321 14.129 -17.583 1.00 0.00 C ATOM 325 NZ LYS A 23 4.815 15.500 -17.892 1.00 0.00 N ATOM 0 H LYS A 23 8.836 12.983 -20.340 1.00 0.00 H new ATOM 0 HA LYS A 23 8.311 12.179 -17.561 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.949 11.474 -20.192 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.422 10.939 -18.609 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.708 13.890 -19.158 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.302 13.030 -19.753 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.052 12.126 -17.329 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.201 13.370 -16.877 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.553 13.849 -18.304 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.851 14.125 -16.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.030 16.178 -17.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.566 15.758 -17.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.194 15.522 -18.860 1.00 0.00 H new ATOM 339 N LYS A 24 9.867 10.428 -19.797 1.00 0.00 N ATOM 340 CA LYS A 24 10.627 9.206 -20.031 1.00 0.00 C ATOM 341 C LYS A 24 11.860 9.152 -19.135 1.00 0.00 C ATOM 342 O LYS A 24 12.070 8.181 -18.408 1.00 0.00 O ATOM 343 CB LYS A 24 11.047 9.114 -21.500 1.00 0.00 C ATOM 344 CG LYS A 24 12.173 8.127 -21.750 1.00 0.00 C ATOM 345 CD LYS A 24 11.842 6.751 -21.197 1.00 0.00 C ATOM 346 CE LYS A 24 12.850 5.708 -21.656 1.00 0.00 C ATOM 347 NZ LYS A 24 13.995 5.590 -20.711 1.00 0.00 N ATOM 0 H LYS A 24 9.996 11.147 -20.509 1.00 0.00 H new ATOM 0 HA LYS A 24 9.986 8.358 -19.789 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.183 8.826 -22.099 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.358 10.101 -21.843 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.363 8.054 -22.821 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.089 8.495 -21.288 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.827 6.789 -20.108 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.843 6.459 -21.519 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.355 4.741 -21.750 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.222 5.973 -22.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.320 4.603 -20.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.773 6.202 -21.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.692 5.883 -19.760 1.00 0.00 H new ATOM 361 N VAL A 25 12.673 10.203 -19.190 1.00 0.00 N ATOM 362 CA VAL A 25 13.884 10.276 -18.382 1.00 0.00 C ATOM 363 C VAL A 25 13.649 9.710 -16.986 1.00 0.00 C ATOM 364 O VAL A 25 14.537 9.095 -16.397 1.00 0.00 O ATOM 365 CB VAL A 25 14.390 11.725 -18.259 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.572 11.799 -17.304 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.764 12.277 -19.626 1.00 0.00 C ATOM 0 H VAL A 25 12.514 11.015 -19.786 1.00 0.00 H new ATOM 0 HA VAL A 25 14.640 9.677 -18.890 1.00 0.00 H new ATOM 0 HB VAL A 25 13.586 12.338 -17.852 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.916 12.831 -17.230 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.266 11.447 -16.319 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.382 11.173 -17.678 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.119 13.302 -19.520 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.552 11.663 -20.063 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.889 12.262 -20.276 1.00 0.00 H new ATOM 377 N ALA A 26 12.446 9.923 -16.463 1.00 0.00 N ATOM 378 CA ALA A 26 12.092 9.432 -15.137 1.00 0.00 C ATOM 379 C ALA A 26 11.980 7.912 -15.126 1.00 0.00 C ATOM 380 O ALA A 26 12.681 7.233 -14.375 1.00 0.00 O ATOM 381 CB ALA A 26 10.788 10.063 -14.671 1.00 0.00 C ATOM 0 H ALA A 26 11.700 10.432 -16.937 1.00 0.00 H new ATOM 0 HA ALA A 26 12.887 9.716 -14.448 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.536 9.687 -13.679 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.902 11.146 -14.630 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.991 9.808 -15.369 1.00 0.00 H new ATOM 387 N ASP A 27 11.094 7.383 -15.962 1.00 0.00 N ATOM 388 CA ASP A 27 10.889 5.941 -16.049 1.00 0.00 C ATOM 389 C ASP A 27 12.224 5.204 -16.069 1.00 0.00 C ATOM 390 O ASP A 27 12.336 4.088 -15.561 1.00 0.00 O ATOM 391 CB ASP A 27 10.081 5.593 -17.300 1.00 0.00 C ATOM 392 CG ASP A 27 8.587 5.586 -17.041 1.00 0.00 C ATOM 393 OD1 ASP A 27 8.025 6.670 -16.777 1.00 0.00 O ATOM 394 OD2 ASP A 27 7.981 4.497 -17.102 1.00 0.00 O ATOM 0 H ASP A 27 10.506 7.931 -16.590 1.00 0.00 H new ATOM 0 HA ASP A 27 10.332 5.624 -15.167 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.307 6.313 -18.087 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.388 4.613 -17.666 1.00 0.00 H new ATOM 399 N TRP A 28 13.233 5.833 -16.660 1.00 0.00 N ATOM 400 CA TRP A 28 14.561 5.236 -16.747 1.00 0.00 C ATOM 401 C TRP A 28 15.216 5.163 -15.372 1.00 0.00 C ATOM 402 O TRP A 28 15.929 4.208 -15.063 1.00 0.00 O ATOM 403 CB TRP A 28 15.443 6.040 -17.703 1.00 0.00 C ATOM 404 CG TRP A 28 16.860 5.554 -17.756 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.323 4.449 -18.410 1.00 0.00 C ATOM 406 CD2 TRP A 28 17.996 6.156 -17.127 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.679 4.327 -18.226 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.117 5.363 -17.443 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.177 7.289 -16.329 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.397 5.668 -16.988 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.448 7.590 -15.878 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.545 6.783 -16.209 1.00 0.00 C ATOM 0 H TRP A 28 13.157 6.757 -17.086 1.00 0.00 H new ATOM 0 HA TRP A 28 14.451 4.222 -17.131 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.014 5.997 -18.704 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.437 7.086 -17.398 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.713 3.770 -18.987 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.265 3.586 -18.610 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.338 7.918 -16.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.243 5.046 -17.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.599 8.462 -15.260 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.526 7.046 -15.842 1.00 0.00 H new ATOM 423 N LEU A 29 14.970 6.177 -14.549 1.00 0.00 N ATOM 424 CA LEU A 29 15.537 6.227 -13.206 1.00 0.00 C ATOM 425 C LEU A 29 14.998 5.089 -12.345 1.00 0.00 C ATOM 426 O LEU A 29 15.755 4.231 -11.888 1.00 0.00 O ATOM 427 CB LEU A 29 15.222 7.572 -12.548 1.00 0.00 C ATOM 428 CG LEU A 29 15.763 8.811 -13.262 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.111 10.071 -12.713 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.276 8.888 -13.124 1.00 0.00 C ATOM 0 H LEU A 29 14.382 6.975 -14.788 1.00 0.00 H new ATOM 0 HA LEU A 29 16.618 6.114 -13.290 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.139 7.669 -12.465 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.620 7.559 -11.533 1.00 0.00 H new ATOM 0 HG LEU A 29 15.518 8.732 -14.321 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.508 10.943 -13.233 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.033 10.018 -12.865 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.324 10.156 -11.647 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.644 9.776 -13.638 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.543 8.943 -12.069 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.727 8.000 -13.566 1.00 0.00 H new ATOM 442 N LEU A 30 13.688 5.087 -12.129 1.00 0.00 N ATOM 443 CA LEU A 30 13.047 4.052 -11.324 1.00 0.00 C ATOM 444 C LEU A 30 13.395 2.662 -11.847 1.00 0.00 C ATOM 445 O LEU A 30 13.500 1.708 -11.078 1.00 0.00 O ATOM 446 CB LEU A 30 11.529 4.244 -11.325 1.00 0.00 C ATOM 447 CG LEU A 30 11.035 5.684 -11.180 1.00 0.00 C ATOM 448 CD1 LEU A 30 11.973 6.483 -10.289 1.00 0.00 C ATOM 449 CD2 LEU A 30 10.904 6.343 -12.546 1.00 0.00 C ATOM 0 H LEU A 30 13.048 5.790 -12.499 1.00 0.00 H new ATOM 0 HA LEU A 30 13.418 4.139 -10.303 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.132 3.837 -12.255 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.107 3.653 -10.512 1.00 0.00 H new ATOM 0 HG LEU A 30 10.051 5.665 -10.712 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.605 7.505 -10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.017 6.023 -9.302 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.971 6.494 -10.728 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.551 7.367 -12.424 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.875 6.350 -13.041 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.192 5.784 -13.153 1.00 0.00 H new ATOM 461 N GLU A 31 13.575 2.557 -13.160 1.00 0.00 N ATOM 462 CA GLU A 31 13.914 1.284 -13.785 1.00 0.00 C ATOM 463 C GLU A 31 15.197 0.711 -13.191 1.00 0.00 C ATOM 464 O GLU A 31 15.456 -0.488 -13.285 1.00 0.00 O ATOM 465 CB GLU A 31 14.072 1.458 -15.297 1.00 0.00 C ATOM 466 CG GLU A 31 15.043 0.473 -15.925 1.00 0.00 C ATOM 467 CD GLU A 31 14.942 0.438 -17.438 1.00 0.00 C ATOM 468 OE1 GLU A 31 14.643 1.492 -18.036 1.00 0.00 O ATOM 469 OE2 GLU A 31 15.161 -0.644 -18.022 1.00 0.00 O ATOM 0 H GLU A 31 13.492 3.338 -13.811 1.00 0.00 H new ATOM 0 HA GLU A 31 13.100 0.585 -13.591 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.097 1.346 -15.771 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.412 2.473 -15.504 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.061 0.739 -15.639 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.851 -0.524 -15.529 1.00 0.00 H new ATOM 476 N ASN A 32 15.998 1.577 -12.580 1.00 0.00 N ATOM 477 CA ASN A 32 17.255 1.158 -11.971 1.00 0.00 C ATOM 478 C ASN A 32 17.271 1.480 -10.479 1.00 0.00 C ATOM 479 O ASN A 32 18.319 1.435 -9.836 1.00 0.00 O ATOM 480 CB ASN A 32 18.435 1.843 -12.664 1.00 0.00 C ATOM 481 CG ASN A 32 18.563 1.438 -14.120 1.00 0.00 C ATOM 482 OD1 ASN A 32 19.074 0.364 -14.435 1.00 0.00 O ATOM 483 ND2 ASN A 32 18.098 2.301 -15.017 1.00 0.00 N ATOM 0 H ASN A 32 15.799 2.574 -12.493 1.00 0.00 H new ATOM 0 HA ASN A 32 17.347 0.079 -12.093 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.313 2.924 -12.600 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.357 1.594 -12.138 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.157 2.084 -16.012 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.682 3.180 -14.711 1.00 0.00 H new ATOM 490 N ALA A 33 16.102 1.805 -9.937 1.00 0.00 N ATOM 491 CA ALA A 33 15.981 2.132 -8.522 1.00 0.00 C ATOM 492 C ALA A 33 16.628 3.478 -8.212 1.00 0.00 C ATOM 493 O ALA A 33 17.407 3.599 -7.266 1.00 0.00 O ATOM 494 CB ALA A 33 16.605 1.035 -7.672 1.00 0.00 C ATOM 0 H ALA A 33 15.225 1.849 -10.457 1.00 0.00 H new ATOM 0 HA ALA A 33 14.921 2.205 -8.280 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.508 1.292 -6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.095 0.091 -7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.660 0.935 -7.925 1.00 0.00 H new ATOM 500 N MET A 34 16.302 4.485 -9.014 1.00 0.00 N ATOM 501 CA MET A 34 16.853 5.822 -8.825 1.00 0.00 C ATOM 502 C MET A 34 15.739 6.857 -8.706 1.00 0.00 C ATOM 503 O MET A 34 15.767 7.911 -9.342 1.00 0.00 O ATOM 504 CB MET A 34 17.779 6.184 -9.987 1.00 0.00 C ATOM 505 CG MET A 34 18.794 5.102 -10.316 1.00 0.00 C ATOM 506 SD MET A 34 20.324 5.768 -10.999 1.00 0.00 S ATOM 507 CE MET A 34 19.884 5.919 -12.729 1.00 0.00 C ATOM 0 H MET A 34 15.659 4.401 -9.801 1.00 0.00 H new ATOM 0 HA MET A 34 17.427 5.824 -7.898 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.176 6.386 -10.872 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.308 7.106 -9.745 1.00 0.00 H new ATOM 0 HG2 MET A 34 19.020 4.535 -9.413 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.356 4.404 -11.029 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.630 6.525 -13.243 1.00 0.00 H new ATOM 0 HE2 MET A 34 19.846 4.929 -13.182 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.908 6.396 -12.816 1.00 0.00 H new ATOM 517 N PRO A 35 14.733 6.553 -7.872 1.00 0.00 N ATOM 518 CA PRO A 35 13.591 7.444 -7.650 1.00 0.00 C ATOM 519 C PRO A 35 13.978 8.703 -6.881 1.00 0.00 C ATOM 520 O PRO A 35 13.153 9.592 -6.675 1.00 0.00 O ATOM 521 CB PRO A 35 12.628 6.588 -6.824 1.00 0.00 C ATOM 522 CG PRO A 35 13.499 5.595 -6.135 1.00 0.00 C ATOM 523 CD PRO A 35 14.635 5.315 -7.080 1.00 0.00 C ATOM 0 HA PRO A 35 13.167 7.803 -8.588 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.075 7.195 -6.107 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.892 6.095 -7.459 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.867 5.990 -5.188 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.947 4.683 -5.907 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.561 5.106 -6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.429 4.450 -7.710 1.00 0.00 H new ATOM 531 N GLU A 36 15.237 8.770 -6.460 1.00 0.00 N ATOM 532 CA GLU A 36 15.732 9.920 -5.713 1.00 0.00 C ATOM 533 C GLU A 36 16.113 11.058 -6.655 1.00 0.00 C ATOM 534 O GLU A 36 16.092 12.228 -6.273 1.00 0.00 O ATOM 535 CB GLU A 36 16.938 9.522 -4.860 1.00 0.00 C ATOM 536 CG GLU A 36 17.851 8.509 -5.533 1.00 0.00 C ATOM 537 CD GLU A 36 17.444 7.077 -5.246 1.00 0.00 C ATOM 538 OE1 GLU A 36 16.446 6.876 -4.524 1.00 0.00 O ATOM 539 OE2 GLU A 36 18.126 6.156 -5.744 1.00 0.00 O ATOM 0 H GLU A 36 15.932 8.042 -6.623 1.00 0.00 H new ATOM 0 HA GLU A 36 14.933 10.267 -5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.514 10.416 -4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.584 9.109 -3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.842 8.677 -6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.875 8.667 -5.194 1.00 0.00 H new ATOM 546 N TYR A 37 16.463 10.706 -7.887 1.00 0.00 N ATOM 547 CA TYR A 37 16.853 11.696 -8.883 1.00 0.00 C ATOM 548 C TYR A 37 15.650 12.141 -9.709 1.00 0.00 C ATOM 549 O TYR A 37 15.727 13.108 -10.468 1.00 0.00 O ATOM 550 CB TYR A 37 17.934 11.127 -9.803 1.00 0.00 C ATOM 551 CG TYR A 37 19.271 10.938 -9.121 1.00 0.00 C ATOM 552 CD1 TYR A 37 20.055 12.030 -8.771 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.749 9.667 -8.827 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.277 11.863 -8.149 1.00 0.00 C ATOM 555 CE2 TYR A 37 20.969 9.490 -8.203 1.00 0.00 C ATOM 556 CZ TYR A 37 21.730 10.591 -7.867 1.00 0.00 C ATOM 557 OH TYR A 37 22.946 10.419 -7.246 1.00 0.00 O ATOM 0 H TYR A 37 16.485 9.742 -8.220 1.00 0.00 H new ATOM 0 HA TYR A 37 17.252 12.564 -8.358 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.597 10.168 -10.196 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.061 11.794 -10.656 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.703 13.027 -8.989 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.157 8.803 -9.091 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.874 12.723 -7.885 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.325 8.495 -7.979 1.00 0.00 H new ATOM 0 HH TYR A 37 23.116 9.462 -7.119 1.00 0.00 H new ATOM 567 N CYS A 38 14.539 11.429 -9.555 1.00 0.00 N ATOM 568 CA CYS A 38 13.318 11.748 -10.287 1.00 0.00 C ATOM 569 C CYS A 38 12.868 13.176 -9.996 1.00 0.00 C ATOM 570 O CYS A 38 12.415 13.889 -10.891 1.00 0.00 O ATOM 571 CB CYS A 38 12.206 10.765 -9.918 1.00 0.00 C ATOM 572 SG CYS A 38 11.007 10.478 -11.241 1.00 0.00 S ATOM 0 H CYS A 38 14.458 10.627 -8.930 1.00 0.00 H new ATOM 0 HA CYS A 38 13.529 11.663 -11.353 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.656 9.813 -9.637 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.680 11.141 -9.040 1.00 0.00 H new ATOM 0 HG CYS A 38 10.107 9.632 -10.835 1.00 0.00 H new ATOM 578 N GLU A 39 12.996 13.587 -8.738 1.00 0.00 N ATOM 579 CA GLU A 39 12.601 14.930 -8.329 1.00 0.00 C ATOM 580 C GLU A 39 13.361 15.987 -9.126 1.00 0.00 C ATOM 581 O GLU A 39 12.775 16.809 -9.830 1.00 0.00 O ATOM 582 CB GLU A 39 12.851 15.126 -6.832 1.00 0.00 C ATOM 583 CG GLU A 39 11.633 14.844 -5.969 1.00 0.00 C ATOM 584 CD GLU A 39 10.786 16.079 -5.734 1.00 0.00 C ATOM 585 OE1 GLU A 39 9.943 16.394 -6.600 1.00 0.00 O ATOM 586 OE2 GLU A 39 10.966 16.732 -4.685 1.00 0.00 O ATOM 0 H GLU A 39 13.370 13.010 -7.985 1.00 0.00 H new ATOM 0 HA GLU A 39 11.536 15.045 -8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.666 14.473 -6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.179 16.151 -6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.024 14.076 -6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.958 14.443 -5.009 1.00 0.00 H new ATOM 593 N PRO A 40 14.697 15.965 -9.013 1.00 0.00 N ATOM 594 CA PRO A 40 15.566 16.914 -9.715 1.00 0.00 C ATOM 595 C PRO A 40 15.592 16.672 -11.220 1.00 0.00 C ATOM 596 O PRO A 40 16.009 17.537 -11.991 1.00 0.00 O ATOM 597 CB PRO A 40 16.946 16.648 -9.107 1.00 0.00 C ATOM 598 CG PRO A 40 16.883 15.239 -8.628 1.00 0.00 C ATOM 599 CD PRO A 40 15.462 15.012 -8.191 1.00 0.00 C ATOM 0 HA PRO A 40 15.224 17.943 -9.598 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.736 16.780 -9.846 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.157 17.336 -8.288 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.163 14.545 -9.420 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.576 15.076 -7.802 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.146 13.984 -8.369 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.333 15.206 -7.126 1.00 0.00 H new ATOM 607 N LEU A 41 15.143 15.492 -11.633 1.00 0.00 N ATOM 608 CA LEU A 41 15.115 15.135 -13.047 1.00 0.00 C ATOM 609 C LEU A 41 13.682 15.087 -13.568 1.00 0.00 C ATOM 610 O LEU A 41 13.426 14.579 -14.659 1.00 0.00 O ATOM 611 CB LEU A 41 15.796 13.783 -13.266 1.00 0.00 C ATOM 612 CG LEU A 41 17.290 13.724 -12.945 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.782 12.285 -12.962 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.081 14.572 -13.930 1.00 0.00 C ATOM 0 H LEU A 41 14.793 14.766 -11.008 1.00 0.00 H new ATOM 0 HA LEU A 41 15.658 15.901 -13.601 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.284 13.038 -12.657 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.657 13.493 -14.307 1.00 0.00 H new ATOM 0 HG LEU A 41 17.444 14.128 -11.944 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.847 12.262 -12.732 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.237 11.705 -12.217 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.615 11.855 -13.950 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.142 14.518 -13.686 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.922 14.199 -14.942 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.747 15.608 -13.869 1.00 0.00 H new ATOM 626 N GLU A 42 12.753 15.621 -12.781 1.00 0.00 N ATOM 627 CA GLU A 42 11.347 15.638 -13.164 1.00 0.00 C ATOM 628 C GLU A 42 11.157 16.339 -14.506 1.00 0.00 C ATOM 629 O GLU A 42 10.426 15.859 -15.373 1.00 0.00 O ATOM 630 CB GLU A 42 10.511 16.337 -12.089 1.00 0.00 C ATOM 631 CG GLU A 42 10.942 17.769 -11.819 1.00 0.00 C ATOM 632 CD GLU A 42 10.379 18.311 -10.519 1.00 0.00 C ATOM 633 OE1 GLU A 42 9.882 17.505 -9.705 1.00 0.00 O ATOM 634 OE2 GLU A 42 10.437 19.542 -10.317 1.00 0.00 O ATOM 0 H GLU A 42 12.949 16.047 -11.875 1.00 0.00 H new ATOM 0 HA GLU A 42 11.011 14.606 -13.262 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.465 16.333 -12.394 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.575 15.766 -11.163 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.030 17.817 -11.788 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.618 18.404 -12.644 1.00 0.00 H new ATOM 641 N HIS A 43 11.822 17.479 -14.671 1.00 0.00 N ATOM 642 CA HIS A 43 11.727 18.247 -15.907 1.00 0.00 C ATOM 643 C HIS A 43 13.017 18.139 -16.715 1.00 0.00 C ATOM 644 O HIS A 43 13.379 19.055 -17.453 1.00 0.00 O ATOM 645 CB HIS A 43 11.427 19.714 -15.599 1.00 0.00 C ATOM 646 CG HIS A 43 12.569 20.437 -14.954 1.00 0.00 C ATOM 647 ND1 HIS A 43 13.293 21.422 -15.593 1.00 0.00 N ATOM 648 CD2 HIS A 43 13.110 20.315 -13.720 1.00 0.00 C ATOM 649 CE1 HIS A 43 14.231 21.873 -14.779 1.00 0.00 C ATOM 650 NE2 HIS A 43 14.142 21.218 -13.636 1.00 0.00 N ATOM 0 H HIS A 43 12.432 17.890 -13.964 1.00 0.00 H new ATOM 0 HA HIS A 43 10.911 17.833 -16.500 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.162 20.224 -16.525 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.557 19.769 -14.944 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.790 19.634 -12.945 1.00 0.00 H new ATOM 0 HE1 HIS A 43 14.949 22.646 -15.009 1.00 0.00 H new ATOM 0 HE2 HIS A 43 14.742 21.359 -12.823 1.00 0.00 H new ATOM 658 N PHE A 44 13.708 17.013 -16.569 1.00 0.00 N ATOM 659 CA PHE A 44 14.959 16.785 -17.282 1.00 0.00 C ATOM 660 C PHE A 44 14.724 15.960 -18.543 1.00 0.00 C ATOM 661 O PHE A 44 13.916 15.030 -18.550 1.00 0.00 O ATOM 662 CB PHE A 44 15.966 16.076 -16.375 1.00 0.00 C ATOM 663 CG PHE A 44 16.846 17.018 -15.603 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.292 17.997 -14.794 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.225 16.923 -15.686 1.00 0.00 C ATOM 666 CE1 PHE A 44 17.099 18.866 -14.084 1.00 0.00 C ATOM 667 CE2 PHE A 44 19.037 17.789 -14.977 1.00 0.00 C ATOM 668 CZ PHE A 44 18.473 18.761 -14.174 1.00 0.00 C ATOM 0 H PHE A 44 13.422 16.244 -15.963 1.00 0.00 H new ATOM 0 HA PHE A 44 15.363 17.754 -17.574 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.426 15.439 -15.674 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.592 15.422 -16.982 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.218 18.082 -14.717 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.671 16.164 -16.311 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.655 19.627 -13.459 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.111 17.705 -15.051 1.00 0.00 H new ATOM 0 HZ PHE A 44 19.105 19.437 -13.618 1.00 0.00 H new ATOM 678 N THR A 45 15.436 16.306 -19.612 1.00 0.00 N ATOM 679 CA THR A 45 15.303 15.600 -20.880 1.00 0.00 C ATOM 680 C THR A 45 16.524 14.728 -21.153 1.00 0.00 C ATOM 681 O THR A 45 17.639 15.060 -20.753 1.00 0.00 O ATOM 682 CB THR A 45 15.114 16.581 -22.052 1.00 0.00 C ATOM 683 OG1 THR A 45 16.024 17.679 -21.923 1.00 0.00 O ATOM 684 CG2 THR A 45 13.686 17.101 -22.097 1.00 0.00 C ATOM 0 H THR A 45 16.111 17.071 -19.624 1.00 0.00 H new ATOM 0 HA THR A 45 14.419 14.968 -20.800 1.00 0.00 H new ATOM 0 HB THR A 45 15.319 16.048 -22.980 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.899 18.298 -22.673 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.577 17.792 -22.933 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.998 16.265 -22.225 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.458 17.619 -21.166 1.00 0.00 H new ATOM 692 N GLY A 46 16.305 13.610 -21.839 1.00 0.00 N ATOM 693 CA GLY A 46 17.397 12.707 -22.154 1.00 0.00 C ATOM 694 C GLY A 46 18.708 13.436 -22.369 1.00 0.00 C ATOM 695 O GLY A 46 19.751 13.007 -21.877 1.00 0.00 O ATOM 0 H GLY A 46 15.391 13.314 -22.182 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.514 11.987 -21.344 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.148 12.140 -23.051 1.00 0.00 H new ATOM 699 N GLN A 47 18.655 14.540 -23.107 1.00 0.00 N ATOM 700 CA GLN A 47 19.850 15.328 -23.388 1.00 0.00 C ATOM 701 C GLN A 47 20.425 15.920 -22.105 1.00 0.00 C ATOM 702 O GLN A 47 21.606 15.744 -21.804 1.00 0.00 O ATOM 703 CB GLN A 47 19.526 16.447 -24.380 1.00 0.00 C ATOM 704 CG GLN A 47 20.750 17.218 -24.847 1.00 0.00 C ATOM 705 CD GLN A 47 21.430 16.568 -26.036 1.00 0.00 C ATOM 706 OE1 GLN A 47 20.913 16.596 -27.153 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.596 15.978 -25.802 1.00 0.00 N ATOM 0 H GLN A 47 17.799 14.909 -23.521 1.00 0.00 H new ATOM 0 HA GLN A 47 20.597 14.667 -23.828 1.00 0.00 H new ATOM 0 HB2 GLN A 47 19.024 16.018 -25.247 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.825 17.141 -23.916 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.456 18.234 -25.112 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.461 17.296 -24.025 1.00 0.00 H new ATOM 0 HE21 GLN A 47 22.988 15.979 -24.860 1.00 0.00 H new ATOM 0 HE22 GLN A 47 23.100 15.524 -26.564 1.00 0.00 H new ATOM 716 N ASP A 48 19.584 16.622 -21.354 1.00 0.00 N ATOM 717 CA ASP A 48 20.009 17.239 -20.103 1.00 0.00 C ATOM 718 C ASP A 48 20.515 16.186 -19.122 1.00 0.00 C ATOM 719 O ASP A 48 21.507 16.398 -18.424 1.00 0.00 O ATOM 720 CB ASP A 48 18.854 18.023 -19.478 1.00 0.00 C ATOM 721 CG ASP A 48 18.634 19.364 -20.150 1.00 0.00 C ATOM 722 OD1 ASP A 48 19.625 20.099 -20.348 1.00 0.00 O ATOM 723 OD2 ASP A 48 17.472 19.679 -20.479 1.00 0.00 O ATOM 0 H ASP A 48 18.604 16.778 -21.590 1.00 0.00 H new ATOM 0 HA ASP A 48 20.826 17.926 -20.324 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.940 17.433 -19.544 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.056 18.180 -18.418 1.00 0.00 H new ATOM 728 N LEU A 49 19.826 15.051 -19.074 1.00 0.00 N ATOM 729 CA LEU A 49 20.205 13.964 -18.178 1.00 0.00 C ATOM 730 C LEU A 49 21.624 13.486 -18.470 1.00 0.00 C ATOM 731 O LEU A 49 22.446 13.360 -17.563 1.00 0.00 O ATOM 732 CB LEU A 49 19.224 12.798 -18.315 1.00 0.00 C ATOM 733 CG LEU A 49 19.648 11.483 -17.659 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.431 10.719 -17.161 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.450 10.635 -18.634 1.00 0.00 C ATOM 0 H LEU A 49 19.003 14.860 -19.645 1.00 0.00 H new ATOM 0 HA LEU A 49 20.172 14.341 -17.156 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.268 13.102 -17.889 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.056 12.614 -19.376 1.00 0.00 H new ATOM 0 HG LEU A 49 20.282 11.714 -16.803 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.752 9.786 -16.697 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.897 11.324 -16.428 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.771 10.499 -18.000 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.743 9.703 -18.150 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.840 10.413 -19.510 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.342 11.180 -18.942 1.00 0.00 H new ATOM 747 N ILE A 50 21.904 13.225 -19.743 1.00 0.00 N ATOM 748 CA ILE A 50 23.224 12.766 -20.155 1.00 0.00 C ATOM 749 C ILE A 50 24.273 13.854 -19.950 1.00 0.00 C ATOM 750 O ILE A 50 25.471 13.576 -19.910 1.00 0.00 O ATOM 751 CB ILE A 50 23.234 12.331 -21.632 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.039 13.544 -22.545 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.152 11.292 -21.885 1.00 0.00 C ATOM 754 CD1 ILE A 50 23.759 13.425 -23.869 1.00 0.00 C ATOM 0 H ILE A 50 21.234 13.324 -20.506 1.00 0.00 H new ATOM 0 HA ILE A 50 23.468 11.907 -19.530 1.00 0.00 H new ATOM 0 HB ILE A 50 24.202 11.882 -21.857 1.00 0.00 H new ATOM 0 HG12 ILE A 50 21.974 13.681 -22.731 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.390 14.437 -22.029 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.171 10.994 -22.933 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.331 10.420 -21.257 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.177 11.717 -21.647 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.576 14.320 -24.464 1.00 0.00 H new ATOM 0 HD12 ILE A 50 24.829 13.319 -23.693 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.391 12.551 -24.406 1.00 0.00 H new ATOM 766 N ASN A 51 23.813 15.094 -19.819 1.00 0.00 N ATOM 767 CA ASN A 51 24.712 16.225 -19.618 1.00 0.00 C ATOM 768 C ASN A 51 25.073 16.378 -18.144 1.00 0.00 C ATOM 769 O ASN A 51 25.699 17.361 -17.745 1.00 0.00 O ATOM 770 CB ASN A 51 24.067 17.513 -20.133 1.00 0.00 C ATOM 771 CG ASN A 51 24.205 17.668 -21.636 1.00 0.00 C ATOM 772 OD1 ASN A 51 25.008 16.984 -22.270 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.420 18.571 -22.212 1.00 0.00 N ATOM 0 H ASN A 51 22.824 15.341 -19.848 1.00 0.00 H new ATOM 0 HA ASN A 51 25.627 16.034 -20.180 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.010 17.519 -19.865 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.526 18.369 -19.638 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.468 18.720 -23.220 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.769 19.116 -21.647 1.00 0.00 H new ATOM 780 N LEU A 52 24.674 15.399 -17.338 1.00 0.00 N ATOM 781 CA LEU A 52 24.955 15.424 -15.907 1.00 0.00 C ATOM 782 C LEU A 52 26.387 14.978 -15.626 1.00 0.00 C ATOM 783 O LEU A 52 26.859 13.983 -16.177 1.00 0.00 O ATOM 784 CB LEU A 52 23.972 14.522 -15.159 1.00 0.00 C ATOM 785 CG LEU A 52 22.541 15.047 -15.034 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.706 14.121 -14.164 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.539 16.460 -14.468 1.00 0.00 C ATOM 0 H LEU A 52 24.155 14.579 -17.652 1.00 0.00 H new ATOM 0 HA LEU A 52 24.837 16.449 -15.556 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.941 13.556 -15.663 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.362 14.346 -14.157 1.00 0.00 H new ATOM 0 HG LEU A 52 22.097 15.075 -16.029 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.691 14.511 -14.087 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.680 13.127 -14.611 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.148 14.060 -13.169 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.513 16.818 -14.386 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.002 16.457 -13.481 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.101 17.118 -15.131 1.00 0.00 H new ATOM 799 N THR A 53 27.073 15.720 -14.763 1.00 0.00 N ATOM 800 CA THR A 53 28.450 15.400 -14.406 1.00 0.00 C ATOM 801 C THR A 53 28.666 15.504 -12.901 1.00 0.00 C ATOM 802 O THR A 53 27.924 16.196 -12.205 1.00 0.00 O ATOM 803 CB THR A 53 29.446 16.332 -15.122 1.00 0.00 C ATOM 804 OG1 THR A 53 29.118 17.700 -14.852 1.00 0.00 O ATOM 805 CG2 THR A 53 29.432 16.089 -16.623 1.00 0.00 C ATOM 0 H THR A 53 26.698 16.547 -14.298 1.00 0.00 H new ATOM 0 HA THR A 53 28.630 14.373 -14.726 1.00 0.00 H new ATOM 0 HB THR A 53 30.446 16.117 -14.745 1.00 0.00 H new ATOM 0 HG1 THR A 53 29.639 18.284 -15.442 1.00 0.00 H new ATOM 0 HG21 THR A 53 30.143 16.759 -17.107 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.711 15.055 -16.827 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.432 16.279 -17.013 1.00 0.00 H new ATOM 813 N GLN A 54 29.688 14.812 -12.406 1.00 0.00 N ATOM 814 CA GLN A 54 30.001 14.827 -10.982 1.00 0.00 C ATOM 815 C GLN A 54 29.906 16.241 -10.418 1.00 0.00 C ATOM 816 O GLN A 54 29.472 16.439 -9.284 1.00 0.00 O ATOM 817 CB GLN A 54 31.402 14.262 -10.740 1.00 0.00 C ATOM 818 CG GLN A 54 31.703 13.990 -9.275 1.00 0.00 C ATOM 819 CD GLN A 54 32.950 13.149 -9.083 1.00 0.00 C ATOM 820 OE1 GLN A 54 33.876 13.196 -9.893 1.00 0.00 O ATOM 821 NE2 GLN A 54 32.981 12.373 -8.006 1.00 0.00 N ATOM 0 H GLN A 54 30.312 14.235 -12.970 1.00 0.00 H new ATOM 0 HA GLN A 54 29.271 14.201 -10.469 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.514 13.336 -11.303 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.140 14.963 -11.130 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.824 14.938 -8.751 1.00 0.00 H new ATOM 0 HG3 GLN A 54 30.852 13.481 -8.821 1.00 0.00 H new ATOM 0 HE21 GLN A 54 32.191 12.365 -7.360 1.00 0.00 H new ATOM 0 HE22 GLN A 54 33.795 11.785 -7.824 1.00 0.00 H new ATOM 830 N GLU A 55 30.315 17.221 -11.218 1.00 0.00 N ATOM 831 CA GLU A 55 30.276 18.616 -10.798 1.00 0.00 C ATOM 832 C GLU A 55 28.840 19.070 -10.551 1.00 0.00 C ATOM 833 O GLU A 55 28.564 19.807 -9.604 1.00 0.00 O ATOM 834 CB GLU A 55 30.929 19.509 -11.855 1.00 0.00 C ATOM 835 CG GLU A 55 29.958 20.013 -12.910 1.00 0.00 C ATOM 836 CD GLU A 55 30.661 20.519 -14.155 1.00 0.00 C ATOM 837 OE1 GLU A 55 31.410 19.734 -14.773 1.00 0.00 O ATOM 838 OE2 GLU A 55 30.462 21.699 -14.511 1.00 0.00 O ATOM 0 H GLU A 55 30.677 17.074 -12.160 1.00 0.00 H new ATOM 0 HA GLU A 55 30.833 18.703 -9.865 1.00 0.00 H new ATOM 0 HB2 GLU A 55 31.392 20.364 -11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.728 18.953 -12.345 1.00 0.00 H new ATOM 0 HG2 GLU A 55 29.275 19.209 -13.184 1.00 0.00 H new ATOM 0 HG3 GLU A 55 29.352 20.815 -12.488 1.00 0.00 H new ATOM 845 N ASP A 56 27.929 18.623 -11.408 1.00 0.00 N ATOM 846 CA ASP A 56 26.521 18.981 -11.283 1.00 0.00 C ATOM 847 C ASP A 56 25.961 18.527 -9.939 1.00 0.00 C ATOM 848 O ASP A 56 24.950 19.047 -9.468 1.00 0.00 O ATOM 849 CB ASP A 56 25.711 18.359 -12.422 1.00 0.00 C ATOM 850 CG ASP A 56 26.042 18.971 -13.769 1.00 0.00 C ATOM 851 OD1 ASP A 56 26.569 20.103 -13.793 1.00 0.00 O ATOM 852 OD2 ASP A 56 25.773 18.319 -14.800 1.00 0.00 O ATOM 0 H ASP A 56 28.140 18.012 -12.197 1.00 0.00 H new ATOM 0 HA ASP A 56 26.442 20.067 -11.341 1.00 0.00 H new ATOM 0 HB2 ASP A 56 25.902 17.286 -12.457 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.648 18.487 -12.220 1.00 0.00 H new ATOM 857 N PHE A 57 26.626 17.554 -9.325 1.00 0.00 N ATOM 858 CA PHE A 57 26.195 17.028 -8.035 1.00 0.00 C ATOM 859 C PHE A 57 26.647 17.941 -6.898 1.00 0.00 C ATOM 860 O PHE A 57 26.038 17.967 -5.828 1.00 0.00 O ATOM 861 CB PHE A 57 26.750 15.618 -7.823 1.00 0.00 C ATOM 862 CG PHE A 57 26.108 14.583 -8.703 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.514 14.424 -10.018 1.00 0.00 C ATOM 864 CD2 PHE A 57 25.099 13.769 -8.214 1.00 0.00 C ATOM 865 CE1 PHE A 57 25.925 13.474 -10.829 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.506 12.816 -9.021 1.00 0.00 C ATOM 867 CZ PHE A 57 24.920 12.668 -10.330 1.00 0.00 C ATOM 0 H PHE A 57 27.466 17.114 -9.700 1.00 0.00 H new ATOM 0 HA PHE A 57 25.106 16.986 -8.034 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.824 15.627 -8.010 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.610 15.334 -6.780 1.00 0.00 H new ATOM 0 HD1 PHE A 57 27.300 15.050 -10.413 1.00 0.00 H new ATOM 0 HD2 PHE A 57 24.772 13.880 -7.191 1.00 0.00 H new ATOM 0 HE1 PHE A 57 26.250 13.361 -11.853 1.00 0.00 H new ATOM 0 HE2 PHE A 57 23.720 12.188 -8.628 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.459 11.924 -10.962 1.00 0.00 H new ATOM 877 N LYS A 58 27.719 18.688 -7.138 1.00 0.00 N ATOM 878 CA LYS A 58 28.254 19.603 -6.137 1.00 0.00 C ATOM 879 C LYS A 58 27.292 20.762 -5.890 1.00 0.00 C ATOM 880 O LYS A 58 27.360 21.429 -4.857 1.00 0.00 O ATOM 881 CB LYS A 58 29.614 20.142 -6.584 1.00 0.00 C ATOM 882 CG LYS A 58 30.559 19.066 -7.089 1.00 0.00 C ATOM 883 CD LYS A 58 31.704 19.661 -7.892 1.00 0.00 C ATOM 884 CE LYS A 58 32.576 20.564 -7.033 1.00 0.00 C ATOM 885 NZ LYS A 58 33.647 19.801 -6.336 1.00 0.00 N ATOM 0 H LYS A 58 28.235 18.678 -8.018 1.00 0.00 H new ATOM 0 HA LYS A 58 28.377 19.051 -5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 58 29.462 20.879 -7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 58 30.082 20.661 -5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 58 30.959 18.506 -6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 58 30.008 18.358 -7.709 1.00 0.00 H new ATOM 0 HD2 LYS A 58 32.311 18.859 -8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 58 31.304 20.230 -8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 58 33.027 21.335 -7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 58 31.955 21.074 -6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 34.219 20.452 -5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 33.216 19.082 -5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 34.255 19.335 -7.039 1.00 0.00 H new ATOM 899 N LYS A 59 26.396 20.994 -6.843 1.00 0.00 N ATOM 900 CA LYS A 59 25.418 22.070 -6.728 1.00 0.00 C ATOM 901 C LYS A 59 24.007 21.552 -6.983 1.00 0.00 C ATOM 902 O LYS A 59 23.807 20.475 -7.547 1.00 0.00 O ATOM 903 CB LYS A 59 25.747 23.193 -7.715 1.00 0.00 C ATOM 904 CG LYS A 59 26.517 22.723 -8.937 1.00 0.00 C ATOM 905 CD LYS A 59 26.571 23.798 -10.009 1.00 0.00 C ATOM 906 CE LYS A 59 26.916 23.212 -11.369 1.00 0.00 C ATOM 907 NZ LYS A 59 27.224 24.272 -12.368 1.00 0.00 N ATOM 0 H LYS A 59 26.327 20.451 -7.704 1.00 0.00 H new ATOM 0 HA LYS A 59 25.464 22.462 -5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.819 23.663 -8.040 1.00 0.00 H new ATOM 0 HB3 LYS A 59 26.329 23.958 -7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.530 22.447 -8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.047 21.827 -9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.609 24.307 -10.064 1.00 0.00 H new ATOM 0 HD3 LYS A 59 27.313 24.548 -9.736 1.00 0.00 H new ATOM 0 HE2 LYS A 59 27.773 22.546 -11.270 1.00 0.00 H new ATOM 0 HE3 LYS A 59 26.082 22.608 -11.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 27.454 23.832 -13.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 26.397 24.893 -12.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 28.036 24.833 -12.040 1.00 0.00 H new ATOM 921 N PRO A 60 23.003 22.334 -6.562 1.00 0.00 N ATOM 922 CA PRO A 60 21.592 21.975 -6.736 1.00 0.00 C ATOM 923 C PRO A 60 21.155 22.034 -8.196 1.00 0.00 C ATOM 924 O PRO A 60 21.816 22.636 -9.043 1.00 0.00 O ATOM 925 CB PRO A 60 20.853 23.033 -5.913 1.00 0.00 C ATOM 926 CG PRO A 60 21.776 24.202 -5.881 1.00 0.00 C ATOM 927 CD PRO A 60 23.167 23.631 -5.882 1.00 0.00 C ATOM 0 HA PRO A 60 21.389 20.952 -6.420 1.00 0.00 H new ATOM 0 HB2 PRO A 60 19.899 23.295 -6.370 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.636 22.672 -4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.618 24.847 -6.745 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.605 24.811 -4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.866 24.277 -6.412 1.00 0.00 H new ATOM 0 HD3 PRO A 60 23.552 23.508 -4.870 1.00 0.00 H new ATOM 935 N PRO A 61 20.015 21.395 -8.499 1.00 0.00 N ATOM 936 CA PRO A 61 19.222 20.674 -7.500 1.00 0.00 C ATOM 937 C PRO A 61 19.916 19.408 -7.012 1.00 0.00 C ATOM 938 O PRO A 61 19.870 19.080 -5.825 1.00 0.00 O ATOM 939 CB PRO A 61 17.937 20.323 -8.254 1.00 0.00 C ATOM 940 CG PRO A 61 18.336 20.290 -9.689 1.00 0.00 C ATOM 941 CD PRO A 61 19.414 21.327 -9.842 1.00 0.00 C ATOM 0 HA PRO A 61 19.057 21.271 -6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.539 19.361 -7.932 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.159 21.065 -8.077 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.702 19.302 -9.970 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.487 20.511 -10.336 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.146 21.037 -10.596 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.005 22.290 -10.148 1.00 0.00 H new ATOM 949 N LEU A 62 20.560 18.699 -7.933 1.00 0.00 N ATOM 950 CA LEU A 62 21.266 17.468 -7.595 1.00 0.00 C ATOM 951 C LEU A 62 22.355 17.731 -6.560 1.00 0.00 C ATOM 952 O LEU A 62 23.440 18.210 -6.893 1.00 0.00 O ATOM 953 CB LEU A 62 21.880 16.848 -8.852 1.00 0.00 C ATOM 954 CG LEU A 62 20.956 16.736 -10.065 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.755 16.832 -11.356 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.170 15.434 -10.018 1.00 0.00 C ATOM 0 H LEU A 62 20.608 18.955 -8.919 1.00 0.00 H new ATOM 0 HA LEU A 62 20.546 16.771 -7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.750 17.439 -9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.241 15.850 -8.602 1.00 0.00 H new ATOM 0 HG LEU A 62 20.249 17.565 -10.037 1.00 0.00 H new ATOM 0 HD11 LEU A 62 21.080 16.750 -12.208 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.272 17.791 -11.393 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.486 16.024 -11.393 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.518 15.371 -10.889 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.861 14.591 -10.021 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.567 15.405 -9.110 1.00 0.00 H new ATOM 968 N TYR A 63 22.060 17.414 -5.305 1.00 0.00 N ATOM 969 CA TYR A 63 23.014 17.616 -4.221 1.00 0.00 C ATOM 970 C TYR A 63 22.761 16.633 -3.082 1.00 0.00 C ATOM 971 O TYR A 63 21.686 16.624 -2.482 1.00 0.00 O ATOM 972 CB TYR A 63 22.928 19.051 -3.699 1.00 0.00 C ATOM 973 CG TYR A 63 23.998 19.392 -2.686 1.00 0.00 C ATOM 974 CD1 TYR A 63 25.339 19.425 -3.048 1.00 0.00 C ATOM 975 CD2 TYR A 63 23.669 19.680 -1.368 1.00 0.00 C ATOM 976 CE1 TYR A 63 26.321 19.735 -2.127 1.00 0.00 C ATOM 977 CE2 TYR A 63 24.643 19.993 -0.440 1.00 0.00 C ATOM 978 CZ TYR A 63 25.967 20.019 -0.824 1.00 0.00 C ATOM 979 OH TYR A 63 26.941 20.328 0.098 1.00 0.00 O ATOM 0 H TYR A 63 21.168 17.016 -5.013 1.00 0.00 H new ATOM 0 HA TYR A 63 24.015 17.438 -4.614 1.00 0.00 H new ATOM 0 HB2 TYR A 63 23.003 19.740 -4.540 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.949 19.206 -3.247 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.619 19.204 -4.068 1.00 0.00 H new ATOM 0 HD2 TYR A 63 22.633 19.659 -1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 63 27.359 19.755 -2.425 1.00 0.00 H new ATOM 0 HE2 TYR A 63 24.369 20.216 0.581 1.00 0.00 H new ATOM 0 HH TYR A 63 26.525 20.503 0.968 1.00 0.00 H new ATOM 989 N ARG A 64 23.759 15.806 -2.790 1.00 0.00 N ATOM 990 CA ARG A 64 23.646 14.816 -1.725 1.00 0.00 C ATOM 991 C ARG A 64 22.398 13.958 -1.912 1.00 0.00 C ATOM 992 O ARG A 64 21.818 13.469 -0.942 1.00 0.00 O ATOM 993 CB ARG A 64 23.603 15.507 -0.361 1.00 0.00 C ATOM 994 CG ARG A 64 24.642 16.605 -0.202 1.00 0.00 C ATOM 995 CD ARG A 64 25.981 16.045 0.251 1.00 0.00 C ATOM 996 NE ARG A 64 26.056 15.912 1.703 1.00 0.00 N ATOM 997 CZ ARG A 64 27.193 15.737 2.367 1.00 0.00 C ATOM 998 NH1 ARG A 64 28.344 15.674 1.712 1.00 0.00 N ATOM 999 NH2 ARG A 64 27.181 15.625 3.689 1.00 0.00 N ATOM 0 H ARG A 64 24.656 15.802 -3.276 1.00 0.00 H new ATOM 0 HA ARG A 64 24.522 14.168 -1.769 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.611 15.932 -0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.752 14.761 0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.767 17.128 -1.150 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.289 17.339 0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 64 26.141 15.071 -0.211 1.00 0.00 H new ATOM 0 HD3 ARG A 64 26.783 16.698 -0.095 1.00 0.00 H new ATOM 0 HE ARG A 64 25.188 15.956 2.237 1.00 0.00 H new ATOM 0 HH11 ARG A 64 28.358 15.760 0.696 1.00 0.00 H new ATOM 0 HH12 ARG A 64 29.216 15.540 2.224 1.00 0.00 H new ATOM 0 HH21 ARG A 64 26.298 15.673 4.197 1.00 0.00 H new ATOM 0 HH22 ARG A 64 28.055 15.491 4.197 1.00 0.00 H new ATOM 1013 N VAL A 65 21.991 13.779 -3.164 1.00 0.00 N ATOM 1014 CA VAL A 65 20.813 12.979 -3.478 1.00 0.00 C ATOM 1015 C VAL A 65 21.025 11.517 -3.100 1.00 0.00 C ATOM 1016 O VAL A 65 20.093 10.833 -2.677 1.00 0.00 O ATOM 1017 CB VAL A 65 20.459 13.064 -4.975 1.00 0.00 C ATOM 1018 CG1 VAL A 65 19.261 12.183 -5.292 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.193 14.507 -5.378 1.00 0.00 C ATOM 0 H VAL A 65 22.460 14.177 -3.978 1.00 0.00 H new ATOM 0 HA VAL A 65 19.989 13.387 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 65 21.309 12.700 -5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 65 19.026 12.256 -6.354 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.494 11.148 -5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.402 12.512 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 65 19.944 14.549 -6.438 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.361 14.900 -4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 65 21.083 15.107 -5.190 1.00 0.00 H new ATOM 1029 N SER A 66 22.258 11.045 -3.254 1.00 0.00 N ATOM 1030 CA SER A 66 22.593 9.663 -2.932 1.00 0.00 C ATOM 1031 C SER A 66 23.819 9.598 -2.026 1.00 0.00 C ATOM 1032 O SER A 66 24.669 10.488 -2.049 1.00 0.00 O ATOM 1033 CB SER A 66 22.847 8.865 -4.212 1.00 0.00 C ATOM 1034 OG SER A 66 23.390 7.589 -3.919 1.00 0.00 O ATOM 0 H SER A 66 23.041 11.599 -3.600 1.00 0.00 H new ATOM 0 HA SER A 66 21.748 9.225 -2.402 1.00 0.00 H new ATOM 0 HB2 SER A 66 21.914 8.749 -4.763 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.532 9.415 -4.857 1.00 0.00 H new ATOM 0 HG SER A 66 23.541 7.098 -4.754 1.00 0.00 H new ATOM 1040 N SER A 67 23.903 8.537 -1.230 1.00 0.00 N ATOM 1041 CA SER A 67 25.023 8.356 -0.314 1.00 0.00 C ATOM 1042 C SER A 67 26.278 7.927 -1.069 1.00 0.00 C ATOM 1043 O SER A 67 27.365 7.850 -0.495 1.00 0.00 O ATOM 1044 CB SER A 67 24.675 7.315 0.752 1.00 0.00 C ATOM 1045 OG SER A 67 25.788 7.050 1.588 1.00 0.00 O ATOM 0 H SER A 67 23.209 7.790 -1.201 1.00 0.00 H new ATOM 0 HA SER A 67 25.221 9.311 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 67 23.840 7.672 1.355 1.00 0.00 H new ATOM 0 HB3 SER A 67 24.349 6.392 0.271 1.00 0.00 H new ATOM 0 HG SER A 67 26.605 7.382 1.160 1.00 0.00 H new ATOM 1051 N ASP A 68 26.120 7.649 -2.358 1.00 0.00 N ATOM 1052 CA ASP A 68 27.239 7.230 -3.193 1.00 0.00 C ATOM 1053 C ASP A 68 27.872 8.428 -3.896 1.00 0.00 C ATOM 1054 O ASP A 68 28.353 8.316 -5.022 1.00 0.00 O ATOM 1055 CB ASP A 68 26.775 6.203 -4.228 1.00 0.00 C ATOM 1056 CG ASP A 68 26.869 4.780 -3.714 1.00 0.00 C ATOM 1057 OD1 ASP A 68 27.908 4.434 -3.114 1.00 0.00 O ATOM 1058 OD2 ASP A 68 25.904 4.012 -3.912 1.00 0.00 O ATOM 0 H ASP A 68 25.227 7.706 -2.848 1.00 0.00 H new ATOM 0 HA ASP A 68 27.989 6.772 -2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 68 25.744 6.417 -4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 68 27.380 6.301 -5.129 1.00 0.00 H new ATOM 1063 N ASN A 69 27.866 9.573 -3.222 1.00 0.00 N ATOM 1064 CA ASN A 69 28.437 10.792 -3.782 1.00 0.00 C ATOM 1065 C ASN A 69 27.983 10.992 -5.225 1.00 0.00 C ATOM 1066 O ASN A 69 28.745 11.465 -6.067 1.00 0.00 O ATOM 1067 CB ASN A 69 29.965 10.741 -3.719 1.00 0.00 C ATOM 1068 CG ASN A 69 30.552 9.761 -4.715 1.00 0.00 C ATOM 1069 OD1 ASN A 69 30.746 8.521 -4.281 1.00 0.00 O flip ATOM 1070 ND2 ASN A 69 30.828 10.114 -5.862 1.00 0.00 N flip ATOM 0 H ASN A 69 27.472 9.682 -2.287 1.00 0.00 H new ATOM 0 HA ASN A 69 28.084 11.635 -3.188 1.00 0.00 H new ATOM 0 HB2 ASN A 69 30.367 11.736 -3.912 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.275 10.461 -2.712 1.00 0.00 H new ATOM 0 HD21 ASN A 69 30.662 11.077 -6.153 1.00 0.00 H new ATOM 0 HD22 ASN A 69 31.222 9.443 -6.521 1.00 0.00 H new ATOM 1077 N GLY A 70 26.734 10.629 -5.503 1.00 0.00 N ATOM 1078 CA GLY A 70 26.200 10.776 -6.844 1.00 0.00 C ATOM 1079 C GLY A 70 26.954 9.945 -7.863 1.00 0.00 C ATOM 1080 O GLY A 70 27.075 10.336 -9.024 1.00 0.00 O ATOM 0 H GLY A 70 26.083 10.236 -4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.150 10.484 -6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.240 11.826 -7.135 1.00 0.00 H new ATOM 1084 N GLN A 71 27.464 8.797 -7.428 1.00 0.00 N ATOM 1085 CA GLN A 71 28.213 7.911 -8.311 1.00 0.00 C ATOM 1086 C GLN A 71 27.275 6.973 -9.065 1.00 0.00 C ATOM 1087 O GLN A 71 27.394 6.804 -10.278 1.00 0.00 O ATOM 1088 CB GLN A 71 29.230 7.098 -7.509 1.00 0.00 C ATOM 1089 CG GLN A 71 29.865 5.967 -8.301 1.00 0.00 C ATOM 1090 CD GLN A 71 30.981 6.444 -9.209 1.00 0.00 C ATOM 1091 OE1 GLN A 71 32.162 6.280 -8.901 1.00 0.00 O ATOM 1092 NE2 GLN A 71 30.613 7.040 -10.337 1.00 0.00 N ATOM 0 H GLN A 71 27.372 8.459 -6.470 1.00 0.00 H new ATOM 0 HA GLN A 71 28.743 8.527 -9.038 1.00 0.00 H new ATOM 0 HB2 GLN A 71 30.014 7.765 -7.151 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.738 6.683 -6.629 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.258 5.221 -7.610 1.00 0.00 H new ATOM 0 HG3 GLN A 71 29.100 5.474 -8.901 1.00 0.00 H new ATOM 0 HE21 GLN A 71 29.623 7.155 -10.553 1.00 0.00 H new ATOM 0 HE22 GLN A 71 31.320 7.382 -10.987 1.00 0.00 H new ATOM 1101 N ARG A 72 26.344 6.366 -8.337 1.00 0.00 N ATOM 1102 CA ARG A 72 25.387 5.443 -8.936 1.00 0.00 C ATOM 1103 C ARG A 72 24.796 6.028 -10.215 1.00 0.00 C ATOM 1104 O ARG A 72 24.818 5.392 -11.270 1.00 0.00 O ATOM 1105 CB ARG A 72 24.268 5.120 -7.945 1.00 0.00 C ATOM 1106 CG ARG A 72 23.325 4.029 -8.425 1.00 0.00 C ATOM 1107 CD ARG A 72 22.669 3.307 -7.259 1.00 0.00 C ATOM 1108 NE ARG A 72 23.479 2.190 -6.781 1.00 0.00 N ATOM 1109 CZ ARG A 72 23.167 1.457 -5.718 1.00 0.00 C ATOM 1110 NH1 ARG A 72 22.068 1.723 -5.026 1.00 0.00 N ATOM 1111 NH2 ARG A 72 23.955 0.457 -5.345 1.00 0.00 N ATOM 0 H ARG A 72 26.232 6.496 -7.332 1.00 0.00 H new ATOM 0 HA ARG A 72 25.916 4.524 -9.188 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.711 4.814 -6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.693 6.026 -7.751 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.556 4.466 -9.063 1.00 0.00 H new ATOM 0 HG3 ARG A 72 23.876 3.313 -9.034 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.505 4.011 -6.443 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.690 2.940 -7.565 1.00 0.00 H new ATOM 0 HE ARG A 72 24.332 1.960 -7.292 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.460 2.492 -5.310 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.830 1.159 -4.210 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.802 0.250 -5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.714 -0.105 -4.529 1.00 0.00 H new ATOM 1125 N LEU A 73 24.267 7.242 -10.115 1.00 0.00 N ATOM 1126 CA LEU A 73 23.667 7.913 -11.263 1.00 0.00 C ATOM 1127 C LEU A 73 24.698 8.135 -12.364 1.00 0.00 C ATOM 1128 O LEU A 73 24.510 7.701 -13.502 1.00 0.00 O ATOM 1129 CB LEU A 73 23.062 9.252 -10.837 1.00 0.00 C ATOM 1130 CG LEU A 73 22.439 10.092 -11.953 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.333 9.316 -12.651 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.904 11.404 -11.398 1.00 0.00 C ATOM 0 H LEU A 73 24.241 7.782 -9.250 1.00 0.00 H new ATOM 0 HA LEU A 73 22.877 7.273 -11.655 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.297 9.060 -10.084 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.841 9.843 -10.356 1.00 0.00 H new ATOM 0 HG LEU A 73 23.213 10.320 -12.686 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.901 9.929 -13.442 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.745 8.404 -13.083 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.558 9.057 -11.929 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.464 11.989 -12.206 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.144 11.197 -10.645 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.720 11.967 -10.945 1.00 0.00 H new ATOM 1144 N LEU A 74 25.789 8.810 -12.019 1.00 0.00 N ATOM 1145 CA LEU A 74 26.852 9.088 -12.978 1.00 0.00 C ATOM 1146 C LEU A 74 27.209 7.837 -13.774 1.00 0.00 C ATOM 1147 O LEU A 74 27.447 7.903 -14.980 1.00 0.00 O ATOM 1148 CB LEU A 74 28.092 9.617 -12.256 1.00 0.00 C ATOM 1149 CG LEU A 74 28.082 11.107 -11.908 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.362 11.495 -11.185 1.00 0.00 C ATOM 1151 CD2 LEU A 74 27.901 11.946 -13.165 1.00 0.00 C ATOM 0 H LEU A 74 25.961 9.175 -11.082 1.00 0.00 H new ATOM 0 HA LEU A 74 26.491 9.847 -13.672 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.221 9.050 -11.334 1.00 0.00 H new ATOM 0 HB3 LEU A 74 28.964 9.416 -12.878 1.00 0.00 H new ATOM 0 HG LEU A 74 27.241 11.300 -11.242 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.337 12.558 -10.946 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.449 10.918 -10.265 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.219 11.288 -11.826 1.00 0.00 H new ATOM 0 HD21 LEU A 74 27.896 13.003 -12.899 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.721 11.749 -13.855 1.00 0.00 H new ATOM 0 HD23 LEU A 74 26.956 11.687 -13.642 1.00 0.00 H new ATOM 1163 N ASP A 75 27.241 6.697 -13.092 1.00 0.00 N ATOM 1164 CA ASP A 75 27.564 5.429 -13.735 1.00 0.00 C ATOM 1165 C ASP A 75 26.441 4.992 -14.670 1.00 0.00 C ATOM 1166 O ASP A 75 26.691 4.495 -15.767 1.00 0.00 O ATOM 1167 CB ASP A 75 27.819 4.349 -12.683 1.00 0.00 C ATOM 1168 CG ASP A 75 28.807 3.301 -13.156 1.00 0.00 C ATOM 1169 OD1 ASP A 75 29.748 3.663 -13.894 1.00 0.00 O ATOM 1170 OD2 ASP A 75 28.640 2.120 -12.788 1.00 0.00 O ATOM 0 H ASP A 75 27.047 6.625 -12.093 1.00 0.00 H new ATOM 0 HA ASP A 75 28.469 5.570 -14.326 1.00 0.00 H new ATOM 0 HB2 ASP A 75 28.196 4.815 -11.773 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.876 3.866 -12.427 1.00 0.00 H new ATOM 1175 N MET A 76 25.202 5.182 -14.227 1.00 0.00 N ATOM 1176 CA MET A 76 24.040 4.807 -15.024 1.00 0.00 C ATOM 1177 C MET A 76 23.936 5.675 -16.274 1.00 0.00 C ATOM 1178 O MET A 76 23.421 5.237 -17.304 1.00 0.00 O ATOM 1179 CB MET A 76 22.762 4.935 -14.193 1.00 0.00 C ATOM 1180 CG MET A 76 22.547 3.780 -13.228 1.00 0.00 C ATOM 1181 SD MET A 76 22.534 2.177 -14.054 1.00 0.00 S ATOM 1182 CE MET A 76 21.343 2.478 -15.358 1.00 0.00 C ATOM 0 H MET A 76 24.977 5.593 -13.321 1.00 0.00 H new ATOM 0 HA MET A 76 24.162 3.769 -15.332 1.00 0.00 H new ATOM 0 HB2 MET A 76 22.797 5.867 -13.629 1.00 0.00 H new ATOM 0 HB3 MET A 76 21.906 5.001 -14.865 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.335 3.790 -12.475 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.602 3.921 -12.703 1.00 0.00 H new ATOM 0 HE1 MET A 76 20.867 1.539 -15.640 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.585 3.177 -15.004 1.00 0.00 H new ATOM 0 HE3 MET A 76 21.851 2.902 -16.224 1.00 0.00 H new ATOM 1192 N ILE A 77 24.427 6.906 -16.177 1.00 0.00 N ATOM 1193 CA ILE A 77 24.389 7.834 -17.301 1.00 0.00 C ATOM 1194 C ILE A 77 25.608 7.657 -18.201 1.00 0.00 C ATOM 1195 O ILE A 77 25.493 7.672 -19.426 1.00 0.00 O ATOM 1196 CB ILE A 77 24.327 9.296 -16.822 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.142 9.495 -15.874 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.225 10.239 -18.011 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.034 10.902 -15.329 1.00 0.00 C ATOM 0 H ILE A 77 24.856 7.284 -15.332 1.00 0.00 H new ATOM 0 HA ILE A 77 23.486 7.607 -17.867 1.00 0.00 H new ATOM 0 HB ILE A 77 25.245 9.525 -16.280 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.220 9.246 -16.400 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.232 8.797 -15.041 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.182 11.269 -17.656 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.098 10.112 -18.652 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.322 10.013 -18.578 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.172 10.970 -14.665 1.00 0.00 H new ATOM 0 HD12 ILE A 77 23.940 11.148 -14.774 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.912 11.604 -16.154 1.00 0.00 H new ATOM 1211 N GLU A 78 26.773 7.487 -17.584 1.00 0.00 N ATOM 1212 CA GLU A 78 28.012 7.305 -18.330 1.00 0.00 C ATOM 1213 C GLU A 78 27.803 6.358 -19.508 1.00 0.00 C ATOM 1214 O GLU A 78 28.312 6.591 -20.605 1.00 0.00 O ATOM 1215 CB GLU A 78 29.110 6.762 -17.413 1.00 0.00 C ATOM 1216 CG GLU A 78 30.510 7.196 -17.816 1.00 0.00 C ATOM 1217 CD GLU A 78 31.585 6.277 -17.271 1.00 0.00 C ATOM 1218 OE1 GLU A 78 31.812 5.207 -17.874 1.00 0.00 O ATOM 1219 OE2 GLU A 78 32.200 6.627 -16.242 1.00 0.00 O ATOM 0 H GLU A 78 26.884 7.472 -16.570 1.00 0.00 H new ATOM 0 HA GLU A 78 28.320 8.276 -18.717 1.00 0.00 H new ATOM 0 HB2 GLU A 78 28.916 7.093 -16.393 1.00 0.00 H new ATOM 0 HB3 GLU A 78 29.063 5.673 -17.410 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.579 7.224 -18.903 1.00 0.00 H new ATOM 0 HG3 GLU A 78 30.689 8.210 -17.459 1.00 0.00 H new ATOM 1226 N THR A 79 27.052 5.287 -19.273 1.00 0.00 N ATOM 1227 CA THR A 79 26.776 4.304 -20.313 1.00 0.00 C ATOM 1228 C THR A 79 25.847 4.875 -21.378 1.00 0.00 C ATOM 1229 O THR A 79 25.917 4.494 -22.547 1.00 0.00 O ATOM 1230 CB THR A 79 26.142 3.028 -19.726 1.00 0.00 C ATOM 1231 OG1 THR A 79 26.077 2.008 -20.728 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.746 3.313 -19.193 1.00 0.00 C ATOM 0 H THR A 79 26.624 5.078 -18.371 1.00 0.00 H new ATOM 0 HA THR A 79 27.733 4.050 -20.769 1.00 0.00 H new ATOM 0 HB THR A 79 26.766 2.686 -18.900 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.674 1.200 -20.347 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.319 2.397 -18.784 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.803 4.069 -18.409 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.115 3.677 -20.003 1.00 0.00 H new ATOM 1240 N LEU A 80 24.977 5.791 -20.967 1.00 0.00 N ATOM 1241 CA LEU A 80 24.033 6.417 -21.887 1.00 0.00 C ATOM 1242 C LEU A 80 24.765 7.235 -22.945 1.00 0.00 C ATOM 1243 O LEU A 80 24.278 7.405 -24.063 1.00 0.00 O ATOM 1244 CB LEU A 80 23.058 7.310 -21.119 1.00 0.00 C ATOM 1245 CG LEU A 80 22.094 6.594 -20.173 1.00 0.00 C ATOM 1246 CD1 LEU A 80 20.987 7.535 -19.724 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.508 5.359 -20.843 1.00 0.00 C ATOM 0 H LEU A 80 24.905 6.117 -20.003 1.00 0.00 H new ATOM 0 HA LEU A 80 23.474 5.627 -22.388 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.636 8.030 -20.540 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.472 7.878 -21.841 1.00 0.00 H new ATOM 0 HG LEU A 80 22.651 6.276 -19.292 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.311 7.007 -19.051 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.423 8.388 -19.204 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.432 7.885 -20.594 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.824 4.862 -20.155 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.967 5.655 -21.742 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.313 4.675 -21.112 1.00 0.00 H new ATOM 1259 N LYS A 81 25.941 7.741 -22.586 1.00 0.00 N ATOM 1260 CA LYS A 81 26.743 8.540 -23.504 1.00 0.00 C ATOM 1261 C LYS A 81 27.656 7.652 -24.343 1.00 0.00 C ATOM 1262 O LYS A 81 27.598 7.672 -25.573 1.00 0.00 O ATOM 1263 CB LYS A 81 27.579 9.560 -22.728 1.00 0.00 C ATOM 1264 CG LYS A 81 26.766 10.718 -22.176 1.00 0.00 C ATOM 1265 CD LYS A 81 26.297 10.444 -20.757 1.00 0.00 C ATOM 1266 CE LYS A 81 27.290 10.966 -19.730 1.00 0.00 C ATOM 1267 NZ LYS A 81 28.674 10.492 -20.006 1.00 0.00 N ATOM 0 H LYS A 81 26.359 7.611 -21.665 1.00 0.00 H new ATOM 0 HA LYS A 81 26.065 9.069 -24.173 1.00 0.00 H new ATOM 0 HB2 LYS A 81 28.081 9.054 -21.904 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.357 9.953 -23.382 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.368 11.627 -22.192 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.903 10.896 -22.817 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.326 10.913 -20.597 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.159 9.372 -20.619 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.273 12.056 -19.729 1.00 0.00 H new ATOM 0 HE3 LYS A 81 26.987 10.642 -18.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.276 10.679 -19.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.659 9.470 -20.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 29.055 10.995 -20.832 1.00 0.00 H new ATOM 1281 N MET A 82 28.498 6.873 -23.671 1.00 0.00 N ATOM 1282 CA MET A 82 29.422 5.977 -24.356 1.00 0.00 C ATOM 1283 C MET A 82 28.766 5.354 -25.584 1.00 0.00 C ATOM 1284 O MET A 82 29.442 5.009 -26.552 1.00 0.00 O ATOM 1285 CB MET A 82 29.898 4.877 -23.405 1.00 0.00 C ATOM 1286 CG MET A 82 28.944 3.698 -23.314 1.00 0.00 C ATOM 1287 SD MET A 82 29.655 2.296 -22.430 1.00 0.00 S ATOM 1288 CE MET A 82 29.995 3.038 -20.836 1.00 0.00 C ATOM 0 H MET A 82 28.559 6.844 -22.653 1.00 0.00 H new ATOM 0 HA MET A 82 30.281 6.563 -24.683 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.874 4.520 -23.735 1.00 0.00 H new ATOM 0 HB3 MET A 82 30.034 5.302 -22.410 1.00 0.00 H new ATOM 0 HG2 MET A 82 28.030 4.013 -22.812 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.663 3.384 -24.319 1.00 0.00 H new ATOM 0 HE1 MET A 82 31.069 3.023 -20.649 1.00 0.00 H new ATOM 0 HE2 MET A 82 29.640 4.069 -20.831 1.00 0.00 H new ATOM 0 HE3 MET A 82 29.483 2.475 -20.056 1.00 0.00 H new