USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=15 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 79 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 MET CE :methyl -128:sc= -2.11 (180deg=-5.3!) USER MOD Set 2.1: A 32 ASN : amide:sc= -0.333 K(o=-0.85,f=-1.8) USER MOD Set 2.2: A 76 MET CE :methyl -146:sc= -0.513 (180deg=-0.437) 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+ 157:sc= -0.223 (180deg=-0.878) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 162:sc= -1.13 (180deg=-1.29) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= -2.2! USER MOD Single : A 43 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-0.19) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.81 X(o=-1.8,f=-1.7) USER MOD Single : A 51 ASN : amide:sc= -0.351 K(o=-0.35,f=-1.3!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.049) 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=-0.00746 USER MOD Single : A 67 SER OG : rot 180:sc=-0.00493 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.572 K(o=-0.57,f=-0.0084) USER MOD Single : A 81 LYS NZ :NH3+ 147:sc= 0.764 (180deg=0.239) USER MOD ----------------------------------------------------------------- ATOM 178 N LYS A 15 20.320 4.685 -28.166 1.00 0.00 N ATOM 179 CA LYS A 15 21.525 5.164 -28.834 1.00 0.00 C ATOM 180 C LYS A 15 21.625 6.683 -28.751 1.00 0.00 C ATOM 181 O LYS A 15 22.721 7.239 -28.692 1.00 0.00 O ATOM 182 CB LYS A 15 21.532 4.720 -30.298 1.00 0.00 C ATOM 183 CG LYS A 15 22.830 5.032 -31.022 1.00 0.00 C ATOM 184 CD LYS A 15 22.630 5.088 -32.527 1.00 0.00 C ATOM 185 CE LYS A 15 22.434 3.700 -33.116 1.00 0.00 C ATOM 186 NZ LYS A 15 21.675 3.742 -34.396 1.00 0.00 N ATOM 0 HA LYS A 15 22.388 4.733 -28.327 1.00 0.00 H new ATOM 0 HB2 LYS A 15 21.349 3.646 -30.344 1.00 0.00 H new ATOM 0 HB3 LYS A 15 20.708 5.207 -30.820 1.00 0.00 H new ATOM 0 HG2 LYS A 15 23.223 5.986 -30.671 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.574 4.272 -30.781 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.763 5.707 -32.757 1.00 0.00 H new ATOM 0 HD3 LYS A 15 23.494 5.563 -32.992 1.00 0.00 H new ATOM 0 HE2 LYS A 15 23.406 3.237 -33.285 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.903 3.073 -32.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.563 2.776 -34.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.737 4.160 -34.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.194 4.319 -35.089 1.00 0.00 H new ATOM 200 N GLU A 16 20.474 7.349 -28.746 1.00 0.00 N ATOM 201 CA GLU A 16 20.434 8.804 -28.670 1.00 0.00 C ATOM 202 C GLU A 16 20.247 9.269 -27.228 1.00 0.00 C ATOM 203 O GLU A 16 20.960 10.151 -26.751 1.00 0.00 O ATOM 204 CB GLU A 16 19.304 9.352 -29.544 1.00 0.00 C ATOM 205 CG GLU A 16 18.139 8.391 -29.706 1.00 0.00 C ATOM 206 CD GLU A 16 16.850 9.095 -30.082 1.00 0.00 C ATOM 207 OE1 GLU A 16 16.737 9.545 -31.242 1.00 0.00 O ATOM 208 OE2 GLU A 16 15.954 9.197 -29.218 1.00 0.00 O ATOM 0 H GLU A 16 19.558 6.904 -28.794 1.00 0.00 H new ATOM 0 HA GLU A 16 21.386 9.187 -29.037 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.939 10.282 -29.109 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.703 9.595 -30.529 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.384 7.655 -30.472 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.992 7.844 -28.775 1.00 0.00 H new ATOM 215 N VAL A 17 19.281 8.668 -26.540 1.00 0.00 N ATOM 216 CA VAL A 17 19.000 9.018 -25.153 1.00 0.00 C ATOM 217 C VAL A 17 19.233 10.504 -24.903 1.00 0.00 C ATOM 218 O VAL A 17 19.604 10.909 -23.801 1.00 0.00 O ATOM 219 CB VAL A 17 19.872 8.203 -24.180 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.194 8.910 -23.926 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.128 7.959 -22.875 1.00 0.00 C ATOM 0 H VAL A 17 18.680 7.937 -26.921 1.00 0.00 H new ATOM 0 HA VAL A 17 17.951 8.782 -24.974 1.00 0.00 H new ATOM 0 HB VAL A 17 20.087 7.236 -24.635 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.796 8.319 -23.236 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.731 9.027 -24.867 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.004 9.892 -23.492 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.759 7.382 -22.199 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.881 8.915 -22.413 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.211 7.406 -23.077 1.00 0.00 H new ATOM 231 N VAL A 18 19.012 11.314 -25.934 1.00 0.00 N ATOM 232 CA VAL A 18 19.196 12.756 -25.826 1.00 0.00 C ATOM 233 C VAL A 18 17.919 13.502 -26.194 1.00 0.00 C ATOM 234 O VAL A 18 17.594 14.530 -25.599 1.00 0.00 O ATOM 235 CB VAL A 18 20.342 13.245 -26.733 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.685 12.772 -26.198 1.00 0.00 C ATOM 237 CG2 VAL A 18 20.130 12.768 -28.162 1.00 0.00 C ATOM 0 H VAL A 18 18.705 10.996 -26.853 1.00 0.00 H new ATOM 0 HA VAL A 18 19.449 12.966 -24.787 1.00 0.00 H new ATOM 0 HB VAL A 18 20.342 14.335 -26.734 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.482 13.127 -26.851 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.836 13.167 -25.193 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.700 11.683 -26.165 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.948 13.122 -28.789 1.00 0.00 H new ATOM 0 HG22 VAL A 18 20.103 11.679 -28.182 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.186 13.161 -28.541 1.00 0.00 H new ATOM 247 N TYR A 19 17.196 12.978 -27.178 1.00 0.00 N ATOM 248 CA TYR A 19 15.955 13.596 -27.628 1.00 0.00 C ATOM 249 C TYR A 19 14.763 13.060 -26.840 1.00 0.00 C ATOM 250 O TYR A 19 13.611 13.350 -27.162 1.00 0.00 O ATOM 251 CB TYR A 19 15.747 13.344 -29.122 1.00 0.00 C ATOM 252 CG TYR A 19 16.973 13.626 -29.960 1.00 0.00 C ATOM 253 CD1 TYR A 19 17.265 14.916 -30.387 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.840 12.603 -30.326 1.00 0.00 C ATOM 255 CE1 TYR A 19 18.385 15.178 -31.153 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.962 12.857 -31.090 1.00 0.00 C ATOM 257 CZ TYR A 19 19.230 14.146 -31.502 1.00 0.00 C ATOM 258 OH TYR A 19 20.346 14.402 -32.265 1.00 0.00 O ATOM 0 H TYR A 19 17.449 12.126 -27.679 1.00 0.00 H new ATOM 0 HA TYR A 19 16.030 14.670 -27.455 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.448 12.306 -29.269 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.925 13.966 -29.476 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.606 15.727 -30.116 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.633 11.592 -30.007 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.597 16.186 -31.477 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.626 12.051 -31.364 1.00 0.00 H new ATOM 0 HH TYR A 19 20.834 13.567 -32.421 1.00 0.00 H new ATOM 268 N TRP A 20 15.050 12.278 -25.806 1.00 0.00 N ATOM 269 CA TRP A 20 14.003 11.701 -24.970 1.00 0.00 C ATOM 270 C TRP A 20 13.063 12.783 -24.451 1.00 0.00 C ATOM 271 O TRP A 20 13.284 13.972 -24.680 1.00 0.00 O ATOM 272 CB TRP A 20 14.621 10.938 -23.797 1.00 0.00 C ATOM 273 CG TRP A 20 15.060 9.551 -24.155 1.00 0.00 C ATOM 274 CD1 TRP A 20 15.034 8.978 -25.394 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.588 8.562 -23.264 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.515 7.692 -25.328 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.862 7.414 -24.032 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.858 8.536 -21.894 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.391 6.253 -23.473 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.382 7.384 -21.340 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.645 6.256 -22.129 1.00 0.00 C ATOM 0 H TRP A 20 15.999 12.029 -25.526 1.00 0.00 H new ATOM 0 HA TRP A 20 13.425 11.007 -25.581 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.478 11.497 -23.421 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.895 10.883 -22.986 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.687 9.464 -26.294 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.600 7.049 -26.116 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.661 9.401 -21.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.593 5.382 -24.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.592 7.352 -20.281 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.057 5.371 -21.666 1.00 0.00 H new ATOM 292 N SER A 21 12.014 12.364 -23.750 1.00 0.00 N ATOM 293 CA SER A 21 11.039 13.299 -23.201 1.00 0.00 C ATOM 294 C SER A 21 11.232 13.465 -21.697 1.00 0.00 C ATOM 295 O SER A 21 11.947 12.700 -21.049 1.00 0.00 O ATOM 296 CB SER A 21 9.617 12.815 -23.494 1.00 0.00 C ATOM 297 OG SER A 21 9.072 13.485 -24.617 1.00 0.00 O ATOM 0 H SER A 21 11.818 11.383 -23.549 1.00 0.00 H new ATOM 0 HA SER A 21 11.192 14.267 -23.678 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.626 11.740 -23.676 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.985 12.985 -22.623 1.00 0.00 H new ATOM 0 HG SER A 21 8.164 13.157 -24.785 1.00 0.00 H new ATOM 303 N PRO A 22 10.579 14.488 -21.127 1.00 0.00 N ATOM 304 CA PRO A 22 10.663 14.780 -19.692 1.00 0.00 C ATOM 305 C PRO A 22 9.955 13.728 -18.845 1.00 0.00 C ATOM 306 O PRO A 22 10.137 13.670 -17.629 1.00 0.00 O ATOM 307 CB PRO A 22 9.959 16.133 -19.564 1.00 0.00 C ATOM 308 CG PRO A 22 9.028 16.187 -20.725 1.00 0.00 C ATOM 309 CD PRO A 22 9.709 15.440 -21.838 1.00 0.00 C ATOM 0 HA PRO A 22 11.693 14.785 -19.336 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.420 16.211 -18.620 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.674 16.955 -19.591 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.070 15.730 -20.478 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.825 17.218 -21.014 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.990 14.927 -22.477 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.284 16.109 -22.478 1.00 0.00 H new ATOM 317 N LYS A 23 9.147 12.897 -19.495 1.00 0.00 N ATOM 318 CA LYS A 23 8.412 11.846 -18.802 1.00 0.00 C ATOM 319 C LYS A 23 9.151 10.515 -18.894 1.00 0.00 C ATOM 320 O LYS A 23 9.026 9.661 -18.015 1.00 0.00 O ATOM 321 CB LYS A 23 7.007 11.703 -19.392 1.00 0.00 C ATOM 322 CG LYS A 23 6.177 12.972 -19.301 1.00 0.00 C ATOM 323 CD LYS A 23 5.880 13.342 -17.858 1.00 0.00 C ATOM 324 CE LYS A 23 4.840 14.449 -17.769 1.00 0.00 C ATOM 325 NZ LYS A 23 3.613 14.121 -18.547 1.00 0.00 N ATOM 0 H LYS A 23 8.985 12.931 -20.501 1.00 0.00 H new ATOM 0 HA LYS A 23 8.331 12.126 -17.752 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.090 11.407 -20.438 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.484 10.899 -18.874 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.709 13.791 -19.785 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.241 12.835 -19.842 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.524 12.463 -17.322 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.799 13.664 -17.367 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.575 14.615 -16.725 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.268 15.380 -18.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.809 14.664 -18.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.760 14.365 -19.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.411 13.104 -18.465 1.00 0.00 H new ATOM 339 N LYS A 24 9.922 10.344 -19.962 1.00 0.00 N ATOM 340 CA LYS A 24 10.683 9.117 -20.169 1.00 0.00 C ATOM 341 C LYS A 24 11.909 9.079 -19.262 1.00 0.00 C ATOM 342 O LYS A 24 12.138 8.099 -18.553 1.00 0.00 O ATOM 343 CB LYS A 24 11.115 9.001 -21.633 1.00 0.00 C ATOM 344 CG LYS A 24 12.278 8.049 -21.850 1.00 0.00 C ATOM 345 CD LYS A 24 11.957 6.652 -21.346 1.00 0.00 C ATOM 346 CE LYS A 24 13.143 5.714 -21.508 1.00 0.00 C ATOM 347 NZ LYS A 24 12.730 4.284 -21.471 1.00 0.00 N ATOM 0 H LYS A 24 10.037 11.040 -20.699 1.00 0.00 H new ATOM 0 HA LYS A 24 10.040 8.273 -19.918 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.266 8.665 -22.228 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.392 9.989 -22.001 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.521 8.007 -22.912 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.161 8.428 -21.335 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.671 6.700 -20.295 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.101 6.255 -21.892 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.644 5.923 -22.453 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.866 5.903 -20.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.567 3.678 -21.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.274 4.078 -20.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.059 4.096 -22.243 1.00 0.00 H new ATOM 361 N VAL A 25 12.694 10.152 -19.289 1.00 0.00 N ATOM 362 CA VAL A 25 13.895 10.241 -18.468 1.00 0.00 C ATOM 363 C VAL A 25 13.647 9.689 -17.068 1.00 0.00 C ATOM 364 O VAL A 25 14.549 9.140 -16.438 1.00 0.00 O ATOM 365 CB VAL A 25 14.391 11.695 -18.354 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.407 11.826 -17.230 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.982 12.160 -19.676 1.00 0.00 C ATOM 0 H VAL A 25 12.519 10.971 -19.871 1.00 0.00 H new ATOM 0 HA VAL A 25 14.660 9.641 -18.961 1.00 0.00 H new ATOM 0 HB VAL A 25 13.540 12.334 -18.118 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.746 12.860 -17.165 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.945 11.535 -16.286 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.259 11.177 -17.432 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.328 13.189 -19.578 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.822 11.519 -19.945 1.00 0.00 H new ATOM 0 HG23 VAL A 25 14.221 12.105 -20.454 1.00 0.00 H new ATOM 377 N ALA A 26 12.416 9.839 -16.589 1.00 0.00 N ATOM 378 CA ALA A 26 12.048 9.354 -15.265 1.00 0.00 C ATOM 379 C ALA A 26 11.947 7.833 -15.246 1.00 0.00 C ATOM 380 O ALA A 26 12.671 7.162 -14.510 1.00 0.00 O ATOM 381 CB ALA A 26 10.732 9.977 -14.822 1.00 0.00 C ATOM 0 H ALA A 26 11.657 10.292 -17.098 1.00 0.00 H new ATOM 0 HA ALA A 26 12.831 9.649 -14.567 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.469 9.606 -13.831 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.836 11.061 -14.787 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.947 9.710 -15.529 1.00 0.00 H new ATOM 387 N ASP A 27 11.045 7.294 -16.060 1.00 0.00 N ATOM 388 CA ASP A 27 10.850 5.851 -16.137 1.00 0.00 C ATOM 389 C ASP A 27 12.189 5.120 -16.117 1.00 0.00 C ATOM 390 O ASP A 27 12.307 4.037 -15.542 1.00 0.00 O ATOM 391 CB ASP A 27 10.075 5.487 -17.404 1.00 0.00 C ATOM 392 CG ASP A 27 8.574 5.495 -17.187 1.00 0.00 C ATOM 393 OD1 ASP A 27 8.075 6.434 -16.531 1.00 0.00 O ATOM 394 OD2 ASP A 27 7.899 4.565 -17.674 1.00 0.00 O ATOM 0 H ASP A 27 10.438 7.835 -16.676 1.00 0.00 H new ATOM 0 HA ASP A 27 10.274 5.540 -15.266 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.328 6.191 -18.196 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.385 4.499 -17.745 1.00 0.00 H new ATOM 399 N TRP A 28 13.193 5.717 -16.748 1.00 0.00 N ATOM 400 CA TRP A 28 14.523 5.122 -16.803 1.00 0.00 C ATOM 401 C TRP A 28 15.150 5.062 -15.414 1.00 0.00 C ATOM 402 O TRP A 28 15.816 4.086 -15.065 1.00 0.00 O ATOM 403 CB TRP A 28 15.423 5.920 -17.748 1.00 0.00 C ATOM 404 CG TRP A 28 16.838 5.429 -17.777 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.301 4.297 -18.384 1.00 0.00 C ATOM 406 CD2 TRP A 28 17.975 6.054 -17.170 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.656 4.180 -18.192 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.094 5.246 -17.451 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.157 7.218 -16.420 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.374 5.566 -17.006 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.427 7.534 -15.978 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.523 6.712 -16.273 1.00 0.00 C ATOM 0 H TRP A 28 13.112 6.613 -17.229 1.00 0.00 H new ATOM 0 HA TRP A 28 14.423 4.104 -17.181 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.010 5.875 -18.756 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.416 6.968 -17.447 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.691 3.596 -18.935 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.241 3.422 -18.544 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.319 7.860 -16.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.219 4.932 -17.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.578 8.430 -15.395 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.504 6.988 -15.915 1.00 0.00 H new ATOM 423 N LEU A 29 14.933 6.109 -14.626 1.00 0.00 N ATOM 424 CA LEU A 29 15.478 6.175 -13.274 1.00 0.00 C ATOM 425 C LEU A 29 14.895 5.070 -12.398 1.00 0.00 C ATOM 426 O LEU A 29 15.618 4.195 -11.920 1.00 0.00 O ATOM 427 CB LEU A 29 15.187 7.541 -12.652 1.00 0.00 C ATOM 428 CG LEU A 29 15.775 8.750 -13.382 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.127 10.036 -12.893 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.284 8.805 -13.193 1.00 0.00 C ATOM 0 H LEU A 29 14.384 6.924 -14.899 1.00 0.00 H new ATOM 0 HA LEU A 29 16.557 6.033 -13.336 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.106 7.668 -12.593 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.565 7.540 -11.629 1.00 0.00 H new ATOM 0 HG LEU A 29 15.566 8.645 -14.447 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.558 10.885 -13.423 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.054 9.997 -13.081 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.304 10.149 -11.823 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.685 9.671 -13.719 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.515 8.886 -12.131 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.734 7.897 -13.594 1.00 0.00 H new ATOM 442 N LEU A 30 13.583 5.115 -12.193 1.00 0.00 N ATOM 443 CA LEU A 30 12.902 4.117 -11.376 1.00 0.00 C ATOM 444 C LEU A 30 13.241 2.706 -11.846 1.00 0.00 C ATOM 445 O LEU A 30 13.285 1.771 -11.047 1.00 0.00 O ATOM 446 CB LEU A 30 11.388 4.334 -11.428 1.00 0.00 C ATOM 447 CG LEU A 30 10.915 5.785 -11.332 1.00 0.00 C ATOM 448 CD1 LEU A 30 11.838 6.589 -10.430 1.00 0.00 C ATOM 449 CD2 LEU A 30 10.838 6.413 -12.716 1.00 0.00 C ATOM 0 H LEU A 30 12.970 5.832 -12.581 1.00 0.00 H new ATOM 0 HA LEU A 30 13.244 4.230 -10.347 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.012 3.911 -12.360 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.932 3.769 -10.615 1.00 0.00 H new ATOM 0 HG LEU A 30 9.917 5.794 -10.895 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.485 7.619 -10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.842 6.152 -9.431 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.849 6.573 -10.837 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.500 7.445 -12.629 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.824 6.392 -13.180 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.135 5.852 -13.332 1.00 0.00 H new ATOM 461 N GLU A 31 13.481 2.562 -13.145 1.00 0.00 N ATOM 462 CA GLU A 31 13.819 1.264 -13.719 1.00 0.00 C ATOM 463 C GLU A 31 15.058 0.679 -13.050 1.00 0.00 C ATOM 464 O GLU A 31 15.249 -0.536 -13.028 1.00 0.00 O ATOM 465 CB GLU A 31 14.052 1.394 -15.226 1.00 0.00 C ATOM 466 CG GLU A 31 14.557 0.117 -15.876 1.00 0.00 C ATOM 467 CD GLU A 31 13.501 -0.971 -15.922 1.00 0.00 C ATOM 468 OE1 GLU A 31 12.772 -1.133 -14.922 1.00 0.00 O ATOM 469 OE2 GLU A 31 13.405 -1.660 -16.959 1.00 0.00 O ATOM 0 H GLU A 31 13.448 3.326 -13.819 1.00 0.00 H new ATOM 0 HA GLU A 31 12.981 0.589 -13.545 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.119 1.691 -15.705 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.772 2.193 -15.406 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.891 0.337 -16.890 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.425 -0.247 -15.327 1.00 0.00 H new ATOM 476 N ASN A 32 15.898 1.553 -12.505 1.00 0.00 N ATOM 477 CA ASN A 32 17.121 1.123 -11.835 1.00 0.00 C ATOM 478 C ASN A 32 17.093 1.501 -10.357 1.00 0.00 C ATOM 479 O ASN A 32 18.121 1.484 -9.682 1.00 0.00 O ATOM 480 CB ASN A 32 18.343 1.748 -12.510 1.00 0.00 C ATOM 481 CG ASN A 32 18.443 1.383 -13.978 1.00 0.00 C ATOM 482 OD1 ASN A 32 18.841 0.271 -14.327 1.00 0.00 O ATOM 483 ND2 ASN A 32 18.082 2.320 -14.847 1.00 0.00 N ATOM 0 H ASN A 32 15.755 2.563 -12.514 1.00 0.00 H new ATOM 0 HA ASN A 32 17.187 0.038 -11.913 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.294 2.832 -12.411 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.246 1.421 -11.995 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.129 2.132 -15.848 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.758 3.228 -14.513 1.00 0.00 H new ATOM 490 N ALA A 33 15.907 1.842 -9.862 1.00 0.00 N ATOM 491 CA ALA A 33 15.744 2.221 -8.464 1.00 0.00 C ATOM 492 C ALA A 33 16.408 3.564 -8.178 1.00 0.00 C ATOM 493 O ALA A 33 17.162 3.702 -7.216 1.00 0.00 O ATOM 494 CB ALA A 33 16.317 1.143 -7.555 1.00 0.00 C ATOM 0 H ALA A 33 15.046 1.863 -10.408 1.00 0.00 H new ATOM 0 HA ALA A 33 14.678 2.322 -8.263 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.189 1.439 -6.514 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.795 0.203 -7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.378 1.014 -7.767 1.00 0.00 H new ATOM 500 N MET A 34 16.122 4.551 -9.021 1.00 0.00 N ATOM 501 CA MET A 34 16.692 5.883 -8.858 1.00 0.00 C ATOM 502 C MET A 34 15.594 6.941 -8.805 1.00 0.00 C ATOM 503 O MET A 34 15.648 7.961 -9.493 1.00 0.00 O ATOM 504 CB MET A 34 17.658 6.191 -10.004 1.00 0.00 C ATOM 505 CG MET A 34 18.659 5.078 -10.270 1.00 0.00 C ATOM 506 SD MET A 34 20.198 5.686 -10.986 1.00 0.00 S ATOM 507 CE MET A 34 19.735 5.831 -12.711 1.00 0.00 C ATOM 0 H MET A 34 15.499 4.453 -9.823 1.00 0.00 H new ATOM 0 HA MET A 34 17.239 5.905 -7.915 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.084 6.377 -10.912 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.200 7.109 -9.775 1.00 0.00 H new ATOM 0 HG2 MET A 34 18.877 4.560 -9.336 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.213 4.347 -10.944 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.444 6.480 -13.225 1.00 0.00 H new ATOM 0 HE2 MET A 34 19.744 4.844 -13.174 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.735 6.257 -12.785 1.00 0.00 H new ATOM 517 N PRO A 35 14.574 6.695 -7.970 1.00 0.00 N ATOM 518 CA PRO A 35 13.444 7.615 -7.808 1.00 0.00 C ATOM 519 C PRO A 35 13.843 8.904 -7.097 1.00 0.00 C ATOM 520 O PRO A 35 13.086 9.873 -7.080 1.00 0.00 O ATOM 521 CB PRO A 35 12.456 6.817 -6.953 1.00 0.00 C ATOM 522 CG PRO A 35 13.302 5.846 -6.205 1.00 0.00 C ATOM 523 CD PRO A 35 14.444 5.500 -7.119 1.00 0.00 C ATOM 0 HA PRO A 35 13.038 7.934 -8.768 1.00 0.00 H new ATOM 0 HB2 PRO A 35 11.905 7.467 -6.274 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.719 6.305 -7.573 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.666 6.282 -5.274 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.732 4.956 -5.939 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.359 5.302 -6.561 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.231 4.608 -7.708 1.00 0.00 H new ATOM 531 N GLU A 36 15.037 8.907 -6.513 1.00 0.00 N ATOM 532 CA GLU A 36 15.535 10.077 -5.799 1.00 0.00 C ATOM 533 C GLU A 36 15.963 11.168 -6.776 1.00 0.00 C ATOM 534 O GLU A 36 15.932 12.355 -6.451 1.00 0.00 O ATOM 535 CB GLU A 36 16.711 9.691 -4.900 1.00 0.00 C ATOM 536 CG GLU A 36 17.873 9.065 -5.653 1.00 0.00 C ATOM 537 CD GLU A 36 18.865 8.382 -4.731 1.00 0.00 C ATOM 538 OE1 GLU A 36 19.535 9.090 -3.952 1.00 0.00 O ATOM 539 OE2 GLU A 36 18.970 7.139 -4.790 1.00 0.00 O ATOM 0 H GLU A 36 15.677 8.113 -6.520 1.00 0.00 H new ATOM 0 HA GLU A 36 14.726 10.465 -5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.065 10.580 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.362 8.991 -4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.488 8.339 -6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.387 9.836 -6.227 1.00 0.00 H new ATOM 546 N TYR A 37 16.363 10.757 -7.974 1.00 0.00 N ATOM 547 CA TYR A 37 16.802 11.698 -8.998 1.00 0.00 C ATOM 548 C TYR A 37 15.635 12.118 -9.887 1.00 0.00 C ATOM 549 O TYR A 37 15.752 13.049 -10.685 1.00 0.00 O ATOM 550 CB TYR A 37 17.909 11.077 -9.851 1.00 0.00 C ATOM 551 CG TYR A 37 19.214 10.895 -9.109 1.00 0.00 C ATOM 552 CD1 TYR A 37 19.967 11.991 -8.707 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.693 9.625 -8.809 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.160 11.828 -8.030 1.00 0.00 C ATOM 555 CE2 TYR A 37 20.884 9.453 -8.130 1.00 0.00 C ATOM 556 CZ TYR A 37 21.614 10.558 -7.743 1.00 0.00 C ATOM 557 OH TYR A 37 22.801 10.392 -7.068 1.00 0.00 O ATOM 0 H TYR A 37 16.392 9.778 -8.260 1.00 0.00 H new ATOM 0 HA TYR A 37 17.192 12.584 -8.498 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.572 10.108 -10.220 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.081 11.708 -10.723 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.614 12.987 -8.928 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.125 8.758 -9.112 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.734 12.691 -7.727 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.241 8.459 -7.903 1.00 0.00 H new ATOM 0 HH TYR A 37 22.976 9.436 -6.945 1.00 0.00 H new ATOM 567 N CYS A 38 14.511 11.425 -9.743 1.00 0.00 N ATOM 568 CA CYS A 38 13.322 11.725 -10.532 1.00 0.00 C ATOM 569 C CYS A 38 12.857 13.158 -10.294 1.00 0.00 C ATOM 570 O CYS A 38 12.383 13.827 -11.211 1.00 0.00 O ATOM 571 CB CYS A 38 12.197 10.747 -10.189 1.00 0.00 C ATOM 572 SG CYS A 38 11.062 10.417 -11.558 1.00 0.00 S ATOM 0 H CYS A 38 14.398 10.652 -9.087 1.00 0.00 H new ATOM 0 HA CYS A 38 13.579 11.617 -11.586 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.637 9.805 -9.861 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.629 11.144 -9.348 1.00 0.00 H new ATOM 0 HG CYS A 38 10.148 9.578 -11.171 1.00 0.00 H new ATOM 578 N GLU A 39 12.996 13.621 -9.055 1.00 0.00 N ATOM 579 CA GLU A 39 12.589 14.975 -8.696 1.00 0.00 C ATOM 580 C GLU A 39 13.374 16.009 -9.497 1.00 0.00 C ATOM 581 O GLU A 39 12.812 16.816 -10.237 1.00 0.00 O ATOM 582 CB GLU A 39 12.791 15.212 -7.198 1.00 0.00 C ATOM 583 CG GLU A 39 11.549 14.942 -6.366 1.00 0.00 C ATOM 584 CD GLU A 39 11.849 14.855 -4.882 1.00 0.00 C ATOM 585 OE1 GLU A 39 13.018 14.600 -4.526 1.00 0.00 O ATOM 586 OE2 GLU A 39 10.913 15.043 -4.077 1.00 0.00 O ATOM 0 H GLU A 39 13.387 13.079 -8.284 1.00 0.00 H new ATOM 0 HA GLU A 39 11.531 15.084 -8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.601 14.574 -6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.106 16.244 -7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.820 15.734 -6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.091 14.009 -6.696 1.00 0.00 H new ATOM 593 N PRO A 40 14.707 15.986 -9.346 1.00 0.00 N ATOM 594 CA PRO A 40 15.599 16.915 -10.047 1.00 0.00 C ATOM 595 C PRO A 40 15.666 16.636 -11.544 1.00 0.00 C ATOM 596 O PRO A 40 16.083 17.491 -12.327 1.00 0.00 O ATOM 597 CB PRO A 40 16.960 16.660 -9.394 1.00 0.00 C ATOM 598 CG PRO A 40 16.879 15.263 -8.883 1.00 0.00 C ATOM 599 CD PRO A 40 15.445 15.052 -8.480 1.00 0.00 C ATOM 0 HA PRO A 40 15.258 17.947 -9.966 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.771 16.772 -10.113 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.150 17.367 -8.586 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.178 14.549 -9.650 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.548 15.118 -8.035 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.130 14.021 -8.640 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.287 15.273 -7.424 1.00 0.00 H new ATOM 607 N LEU A 41 15.252 15.437 -11.937 1.00 0.00 N ATOM 608 CA LEU A 41 15.265 15.045 -13.342 1.00 0.00 C ATOM 609 C LEU A 41 13.848 14.986 -13.904 1.00 0.00 C ATOM 610 O LEU A 41 13.642 14.594 -15.053 1.00 0.00 O ATOM 611 CB LEU A 41 15.949 13.686 -13.507 1.00 0.00 C ATOM 612 CG LEU A 41 17.410 13.613 -13.065 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.889 12.169 -13.040 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.288 14.452 -13.982 1.00 0.00 C ATOM 0 H LEU A 41 14.903 14.719 -11.302 1.00 0.00 H new ATOM 0 HA LEU A 41 15.826 15.796 -13.898 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.382 12.945 -12.943 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.893 13.398 -14.557 1.00 0.00 H new ATOM 0 HG LEU A 41 17.484 14.017 -12.055 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.931 12.137 -12.723 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.279 11.596 -12.342 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.800 11.739 -14.037 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.325 14.388 -13.652 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.209 14.079 -15.003 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.960 15.491 -13.949 1.00 0.00 H new ATOM 626 N GLU A 42 12.876 15.379 -13.088 1.00 0.00 N ATOM 627 CA GLU A 42 11.479 15.372 -13.505 1.00 0.00 C ATOM 628 C GLU A 42 11.302 16.114 -14.827 1.00 0.00 C ATOM 629 O GLU A 42 10.568 15.667 -15.709 1.00 0.00 O ATOM 630 CB GLU A 42 10.598 16.008 -12.428 1.00 0.00 C ATOM 631 CG GLU A 42 10.739 17.519 -12.341 1.00 0.00 C ATOM 632 CD GLU A 42 10.118 18.091 -11.082 1.00 0.00 C ATOM 633 OE1 GLU A 42 9.630 17.300 -10.248 1.00 0.00 O ATOM 634 OE2 GLU A 42 10.122 19.331 -10.930 1.00 0.00 O ATOM 0 H GLU A 42 13.030 15.706 -12.134 1.00 0.00 H new ATOM 0 HA GLU A 42 11.174 14.335 -13.647 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.556 15.760 -12.629 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.849 15.572 -11.461 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.796 17.784 -12.373 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.269 17.975 -13.213 1.00 0.00 H new ATOM 641 N HIS A 43 11.978 17.251 -14.955 1.00 0.00 N ATOM 642 CA HIS A 43 11.896 18.056 -16.169 1.00 0.00 C ATOM 643 C HIS A 43 13.197 17.979 -16.961 1.00 0.00 C ATOM 644 O HIS A 43 13.555 18.913 -17.679 1.00 0.00 O ATOM 645 CB HIS A 43 11.583 19.512 -15.820 1.00 0.00 C ATOM 646 CG HIS A 43 12.473 20.077 -14.757 1.00 0.00 C ATOM 647 ND1 HIS A 43 13.685 20.675 -15.030 1.00 0.00 N ATOM 648 CD2 HIS A 43 12.321 20.135 -13.413 1.00 0.00 C ATOM 649 CE1 HIS A 43 14.241 21.075 -13.900 1.00 0.00 C ATOM 650 NE2 HIS A 43 13.433 20.760 -12.904 1.00 0.00 N ATOM 0 H HIS A 43 12.588 17.636 -14.234 1.00 0.00 H new ATOM 0 HA HIS A 43 11.091 17.657 -16.787 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.674 20.120 -16.720 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.546 19.583 -15.490 1.00 0.00 H new ATOM 0 HD2 HIS A 43 11.482 19.760 -12.847 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.194 21.575 -13.807 1.00 0.00 H new ATOM 0 HE2 HIS A 43 13.607 20.950 -11.917 1.00 0.00 H new ATOM 658 N PHE A 44 13.902 16.861 -16.825 1.00 0.00 N ATOM 659 CA PHE A 44 15.165 16.663 -17.527 1.00 0.00 C ATOM 660 C PHE A 44 14.965 15.814 -18.779 1.00 0.00 C ATOM 661 O PHE A 44 14.180 14.865 -18.781 1.00 0.00 O ATOM 662 CB PHE A 44 16.187 15.997 -16.603 1.00 0.00 C ATOM 663 CG PHE A 44 17.021 16.975 -15.827 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.424 17.897 -14.981 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.402 16.973 -15.942 1.00 0.00 C ATOM 666 CE1 PHE A 44 17.189 18.799 -14.266 1.00 0.00 C ATOM 667 CE2 PHE A 44 19.172 17.873 -15.229 1.00 0.00 C ATOM 668 CZ PHE A 44 18.565 18.786 -14.389 1.00 0.00 C ATOM 0 H PHE A 44 13.620 16.078 -16.235 1.00 0.00 H new ATOM 0 HA PHE A 44 15.541 17.640 -17.829 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.663 15.345 -15.905 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.844 15.363 -17.198 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.349 17.911 -14.880 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.882 16.260 -16.596 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.712 19.513 -13.612 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.247 17.862 -15.329 1.00 0.00 H new ATOM 0 HZ PHE A 44 19.165 19.488 -13.829 1.00 0.00 H new ATOM 678 N THR A 45 15.680 16.163 -19.844 1.00 0.00 N ATOM 679 CA THR A 45 15.580 15.436 -21.103 1.00 0.00 C ATOM 680 C THR A 45 16.799 14.548 -21.323 1.00 0.00 C ATOM 681 O THR A 45 17.909 14.886 -20.915 1.00 0.00 O ATOM 682 CB THR A 45 15.439 16.399 -22.297 1.00 0.00 C ATOM 683 OG1 THR A 45 16.408 17.448 -22.199 1.00 0.00 O ATOM 684 CG2 THR A 45 14.041 16.997 -22.348 1.00 0.00 C ATOM 0 H THR A 45 16.335 16.945 -19.859 1.00 0.00 H new ATOM 0 HA THR A 45 14.687 14.814 -21.039 1.00 0.00 H new ATOM 0 HB THR A 45 15.609 15.833 -23.213 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.312 18.054 -22.963 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.966 17.674 -23.199 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.307 16.198 -22.453 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.847 17.548 -21.428 1.00 0.00 H new ATOM 692 N GLY A 46 16.585 13.407 -21.973 1.00 0.00 N ATOM 693 CA GLY A 46 17.676 12.487 -22.236 1.00 0.00 C ATOM 694 C GLY A 46 18.994 13.200 -22.462 1.00 0.00 C ATOM 695 O GLY A 46 20.050 12.701 -22.076 1.00 0.00 O ATOM 0 H GLY A 46 15.676 13.104 -22.322 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.778 11.799 -21.396 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.437 11.886 -23.113 1.00 0.00 H new ATOM 699 N GLN A 47 18.933 14.370 -23.090 1.00 0.00 N ATOM 700 CA GLN A 47 20.132 15.151 -23.368 1.00 0.00 C ATOM 701 C GLN A 47 20.675 15.789 -22.093 1.00 0.00 C ATOM 702 O GLN A 47 21.847 15.623 -21.754 1.00 0.00 O ATOM 703 CB GLN A 47 19.832 16.234 -24.406 1.00 0.00 C ATOM 704 CG GLN A 47 21.055 17.035 -24.820 1.00 0.00 C ATOM 705 CD GLN A 47 21.844 16.366 -25.929 1.00 0.00 C ATOM 706 OE1 GLN A 47 21.437 16.379 -27.091 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.979 15.775 -25.574 1.00 0.00 N ATOM 0 H GLN A 47 18.066 14.798 -23.416 1.00 0.00 H new ATOM 0 HA GLN A 47 20.890 14.476 -23.766 1.00 0.00 H new ATOM 0 HB2 GLN A 47 19.397 15.768 -25.290 1.00 0.00 H new ATOM 0 HB3 GLN A 47 19.082 16.914 -24.003 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.741 18.026 -25.149 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.702 17.177 -23.954 1.00 0.00 H new ATOM 0 HE21 GLN A 47 23.278 15.789 -24.599 1.00 0.00 H new ATOM 0 HE22 GLN A 47 23.552 15.307 -26.276 1.00 0.00 H new ATOM 716 N ASP A 48 19.815 16.518 -21.390 1.00 0.00 N ATOM 717 CA ASP A 48 20.207 17.180 -20.151 1.00 0.00 C ATOM 718 C ASP A 48 20.632 16.158 -19.101 1.00 0.00 C ATOM 719 O ASP A 48 21.514 16.423 -18.283 1.00 0.00 O ATOM 720 CB ASP A 48 19.055 18.031 -19.616 1.00 0.00 C ATOM 721 CG ASP A 48 18.943 19.366 -20.327 1.00 0.00 C ATOM 722 OD1 ASP A 48 19.972 19.855 -20.838 1.00 0.00 O ATOM 723 OD2 ASP A 48 17.825 19.920 -20.373 1.00 0.00 O ATOM 0 H ASP A 48 18.842 16.665 -21.657 1.00 0.00 H new ATOM 0 HA ASP A 48 21.057 17.828 -20.366 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.119 17.483 -19.729 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.198 18.202 -18.549 1.00 0.00 H new ATOM 728 N LEU A 49 19.999 14.991 -19.128 1.00 0.00 N ATOM 729 CA LEU A 49 20.311 13.929 -18.178 1.00 0.00 C ATOM 730 C LEU A 49 21.730 13.410 -18.388 1.00 0.00 C ATOM 731 O LEU A 49 22.482 13.227 -17.431 1.00 0.00 O ATOM 732 CB LEU A 49 19.310 12.781 -18.320 1.00 0.00 C ATOM 733 CG LEU A 49 19.720 11.450 -17.688 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.498 10.698 -17.184 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.496 10.603 -18.686 1.00 0.00 C ATOM 0 H LEU A 49 19.266 14.756 -19.798 1.00 0.00 H new ATOM 0 HA LEU A 49 20.240 14.343 -17.172 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.364 13.094 -17.878 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.126 12.615 -19.382 1.00 0.00 H new ATOM 0 HG LEU A 49 20.368 11.659 -16.837 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.810 9.754 -16.738 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.983 11.300 -16.435 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.823 10.500 -18.017 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.780 9.660 -18.219 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.872 10.404 -19.557 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.393 11.138 -18.997 1.00 0.00 H new ATOM 747 N ILE A 50 22.089 13.176 -19.646 1.00 0.00 N ATOM 748 CA ILE A 50 23.419 12.683 -19.981 1.00 0.00 C ATOM 749 C ILE A 50 24.471 13.772 -19.802 1.00 0.00 C ATOM 750 O ILE A 50 25.657 13.485 -19.650 1.00 0.00 O ATOM 751 CB ILE A 50 23.477 12.162 -21.429 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.352 13.323 -22.418 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.380 11.136 -21.668 1.00 0.00 C ATOM 754 CD1 ILE A 50 24.133 13.115 -23.697 1.00 0.00 C ATOM 0 H ILE A 50 21.477 13.320 -20.450 1.00 0.00 H new ATOM 0 HA ILE A 50 23.632 11.861 -19.298 1.00 0.00 H new ATOM 0 HB ILE A 50 24.441 11.678 -21.586 1.00 0.00 H new ATOM 0 HG12 ILE A 50 22.300 13.468 -22.664 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.696 14.238 -21.937 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.435 10.778 -22.696 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.511 10.298 -20.984 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.407 11.597 -21.496 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.998 13.977 -24.350 1.00 0.00 H new ATOM 0 HD12 ILE A 50 25.191 13.000 -23.462 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.773 12.218 -24.201 1.00 0.00 H new ATOM 766 N ASN A 51 24.026 15.025 -19.820 1.00 0.00 N ATOM 767 CA ASN A 51 24.930 16.159 -19.659 1.00 0.00 C ATOM 768 C ASN A 51 25.226 16.413 -18.185 1.00 0.00 C ATOM 769 O ASN A 51 25.740 17.470 -17.817 1.00 0.00 O ATOM 770 CB ASN A 51 24.325 17.413 -20.293 1.00 0.00 C ATOM 771 CG ASN A 51 24.540 17.464 -21.794 1.00 0.00 C ATOM 772 OD1 ASN A 51 25.545 16.970 -22.305 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.594 18.064 -22.507 1.00 0.00 N ATOM 0 H ASN A 51 23.046 15.280 -19.944 1.00 0.00 H new ATOM 0 HA ASN A 51 25.866 15.920 -20.163 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.256 17.445 -20.081 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.767 18.298 -19.835 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.684 18.129 -23.521 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.778 18.460 -22.041 1.00 0.00 H new ATOM 780 N LEU A 52 24.900 15.437 -17.344 1.00 0.00 N ATOM 781 CA LEU A 52 25.132 15.554 -15.909 1.00 0.00 C ATOM 782 C LEU A 52 26.549 15.120 -15.550 1.00 0.00 C ATOM 783 O LEU A 52 27.048 14.111 -16.049 1.00 0.00 O ATOM 784 CB LEU A 52 24.117 14.708 -15.138 1.00 0.00 C ATOM 785 CG LEU A 52 22.686 15.247 -15.099 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.826 14.410 -14.166 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.677 16.707 -14.670 1.00 0.00 C ATOM 0 H LEU A 52 24.474 14.556 -17.632 1.00 0.00 H new ATOM 0 HA LEU A 52 25.010 16.601 -15.630 1.00 0.00 H new ATOM 0 HB2 LEU A 52 24.097 13.711 -15.578 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.470 14.597 -14.113 1.00 0.00 H new ATOM 0 HG LEU A 52 22.266 15.182 -16.103 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.811 14.808 -14.151 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.806 13.378 -14.517 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.243 14.442 -13.160 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.651 17.073 -14.648 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.116 16.797 -13.676 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.258 17.298 -15.378 1.00 0.00 H new ATOM 799 N THR A 53 27.195 15.889 -14.678 1.00 0.00 N ATOM 800 CA THR A 53 28.554 15.584 -14.249 1.00 0.00 C ATOM 801 C THR A 53 28.696 15.712 -12.737 1.00 0.00 C ATOM 802 O THR A 53 27.865 16.336 -12.078 1.00 0.00 O ATOM 803 CB THR A 53 29.579 16.510 -14.930 1.00 0.00 C ATOM 804 OG1 THR A 53 29.215 17.880 -14.723 1.00 0.00 O ATOM 805 CG2 THR A 53 29.662 16.223 -16.421 1.00 0.00 C ATOM 0 H THR A 53 26.798 16.728 -14.255 1.00 0.00 H new ATOM 0 HA THR A 53 28.754 14.554 -14.543 1.00 0.00 H new ATOM 0 HB THR A 53 30.556 16.322 -14.485 1.00 0.00 H new ATOM 0 HG1 THR A 53 29.872 18.462 -15.158 1.00 0.00 H new ATOM 0 HG21 THR A 53 30.392 16.890 -16.880 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.968 15.188 -16.576 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.686 16.385 -16.878 1.00 0.00 H new ATOM 813 N GLN A 54 29.753 15.117 -12.194 1.00 0.00 N ATOM 814 CA GLN A 54 30.003 15.165 -10.758 1.00 0.00 C ATOM 815 C GLN A 54 29.977 16.603 -10.249 1.00 0.00 C ATOM 816 O GLN A 54 29.574 16.862 -9.116 1.00 0.00 O ATOM 817 CB GLN A 54 31.350 14.520 -10.431 1.00 0.00 C ATOM 818 CG GLN A 54 31.604 14.362 -8.941 1.00 0.00 C ATOM 819 CD GLN A 54 32.972 13.783 -8.639 1.00 0.00 C ATOM 820 OE1 GLN A 54 33.988 14.271 -9.133 1.00 0.00 O ATOM 821 NE2 GLN A 54 33.005 12.735 -7.824 1.00 0.00 N ATOM 0 H GLN A 54 30.450 14.596 -12.726 1.00 0.00 H new ATOM 0 HA GLN A 54 29.211 14.607 -10.258 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.398 13.540 -10.905 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.147 15.124 -10.865 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.510 15.333 -8.456 1.00 0.00 H new ATOM 0 HG3 GLN A 54 30.838 13.716 -8.512 1.00 0.00 H new ATOM 0 HE21 GLN A 54 32.138 12.363 -7.437 1.00 0.00 H new ATOM 0 HE22 GLN A 54 33.897 12.303 -7.585 1.00 0.00 H new ATOM 830 N GLU A 55 30.410 17.533 -11.095 1.00 0.00 N ATOM 831 CA GLU A 55 30.437 18.944 -10.729 1.00 0.00 C ATOM 832 C GLU A 55 29.022 19.509 -10.641 1.00 0.00 C ATOM 833 O GLU A 55 28.787 20.522 -9.982 1.00 0.00 O ATOM 834 CB GLU A 55 31.254 19.742 -11.747 1.00 0.00 C ATOM 835 CG GLU A 55 32.577 19.090 -12.111 1.00 0.00 C ATOM 836 CD GLU A 55 33.698 19.478 -11.167 1.00 0.00 C ATOM 837 OE1 GLU A 55 33.910 20.692 -10.964 1.00 0.00 O ATOM 838 OE2 GLU A 55 34.364 18.567 -10.631 1.00 0.00 O ATOM 0 H GLU A 55 30.746 17.335 -12.037 1.00 0.00 H new ATOM 0 HA GLU A 55 30.907 19.031 -9.749 1.00 0.00 H new ATOM 0 HB2 GLU A 55 30.662 19.873 -12.653 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.447 20.737 -11.346 1.00 0.00 H new ATOM 0 HG2 GLU A 55 32.458 18.007 -12.102 1.00 0.00 H new ATOM 0 HG3 GLU A 55 32.849 19.373 -13.128 1.00 0.00 H new ATOM 845 N ASP A 56 28.084 18.848 -11.311 1.00 0.00 N ATOM 846 CA ASP A 56 26.692 19.283 -11.308 1.00 0.00 C ATOM 847 C ASP A 56 26.006 18.902 -10.001 1.00 0.00 C ATOM 848 O ASP A 56 24.956 19.444 -9.657 1.00 0.00 O ATOM 849 CB ASP A 56 25.942 18.669 -12.491 1.00 0.00 C ATOM 850 CG ASP A 56 26.362 19.269 -13.818 1.00 0.00 C ATOM 851 OD1 ASP A 56 27.333 20.054 -13.833 1.00 0.00 O ATOM 852 OD2 ASP A 56 25.720 18.955 -14.842 1.00 0.00 O ATOM 0 H ASP A 56 28.262 18.009 -11.863 1.00 0.00 H new ATOM 0 HA ASP A 56 26.676 20.369 -11.401 1.00 0.00 H new ATOM 0 HB2 ASP A 56 26.118 17.593 -12.510 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.871 18.814 -12.353 1.00 0.00 H new ATOM 857 N PHE A 57 26.606 17.964 -9.275 1.00 0.00 N ATOM 858 CA PHE A 57 26.052 17.508 -8.005 1.00 0.00 C ATOM 859 C PHE A 57 26.411 18.472 -6.878 1.00 0.00 C ATOM 860 O PHE A 57 25.818 18.434 -5.800 1.00 0.00 O ATOM 861 CB PHE A 57 26.565 16.105 -7.675 1.00 0.00 C ATOM 862 CG PHE A 57 25.983 15.033 -8.550 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.501 14.795 -9.814 1.00 0.00 C ATOM 864 CD2 PHE A 57 24.920 14.262 -8.110 1.00 0.00 C ATOM 865 CE1 PHE A 57 25.967 13.809 -10.622 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.382 13.274 -8.914 1.00 0.00 C ATOM 867 CZ PHE A 57 24.907 13.047 -10.171 1.00 0.00 C ATOM 0 H PHE A 57 27.476 17.505 -9.544 1.00 0.00 H new ATOM 0 HA PHE A 57 24.967 17.477 -8.101 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.651 16.092 -7.771 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.335 15.878 -6.634 1.00 0.00 H new ATOM 0 HD1 PHE A 57 27.331 15.387 -10.171 1.00 0.00 H new ATOM 0 HD2 PHE A 57 24.506 14.434 -7.127 1.00 0.00 H new ATOM 0 HE1 PHE A 57 26.378 13.635 -11.605 1.00 0.00 H new ATOM 0 HE2 PHE A 57 23.552 12.681 -8.559 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.489 12.275 -10.800 1.00 0.00 H new ATOM 877 N LYS A 58 27.388 19.336 -7.135 1.00 0.00 N ATOM 878 CA LYS A 58 27.827 20.312 -6.145 1.00 0.00 C ATOM 879 C LYS A 58 26.725 21.325 -5.853 1.00 0.00 C ATOM 880 O LYS A 58 26.586 21.799 -4.725 1.00 0.00 O ATOM 881 CB LYS A 58 29.084 21.035 -6.635 1.00 0.00 C ATOM 882 CG LYS A 58 30.090 20.119 -7.308 1.00 0.00 C ATOM 883 CD LYS A 58 31.334 20.878 -7.741 1.00 0.00 C ATOM 884 CE LYS A 58 32.443 20.767 -6.706 1.00 0.00 C ATOM 885 NZ LYS A 58 33.287 21.993 -6.665 1.00 0.00 N ATOM 0 H LYS A 58 27.891 19.380 -8.021 1.00 0.00 H new ATOM 0 HA LYS A 58 28.058 19.779 -5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 58 28.793 21.818 -7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 58 29.563 21.527 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 58 30.371 19.319 -6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 58 29.630 19.647 -8.176 1.00 0.00 H new ATOM 0 HD2 LYS A 58 31.686 20.488 -8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 58 31.085 21.928 -7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 58 32.006 20.594 -5.723 1.00 0.00 H new ATOM 0 HE3 LYS A 58 33.068 19.903 -6.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 34.031 21.878 -5.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 33.724 22.145 -7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 32.696 22.814 -6.422 1.00 0.00 H new ATOM 899 N LYS A 59 25.943 21.653 -6.875 1.00 0.00 N ATOM 900 CA LYS A 59 24.851 22.608 -6.728 1.00 0.00 C ATOM 901 C LYS A 59 23.506 21.943 -7.006 1.00 0.00 C ATOM 902 O LYS A 59 23.429 20.868 -7.601 1.00 0.00 O ATOM 903 CB LYS A 59 25.052 23.793 -7.676 1.00 0.00 C ATOM 904 CG LYS A 59 25.874 23.455 -8.907 1.00 0.00 C ATOM 905 CD LYS A 59 25.737 24.523 -9.979 1.00 0.00 C ATOM 906 CE LYS A 59 26.142 23.994 -11.347 1.00 0.00 C ATOM 907 NZ LYS A 59 26.072 25.052 -12.393 1.00 0.00 N ATOM 0 H LYS A 59 26.045 21.271 -7.815 1.00 0.00 H new ATOM 0 HA LYS A 59 24.852 22.969 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.077 24.164 -7.991 1.00 0.00 H new ATOM 0 HB3 LYS A 59 25.541 24.602 -7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 59 26.923 23.350 -8.628 1.00 0.00 H new ATOM 0 HG3 LYS A 59 25.553 22.493 -9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 59 24.706 24.875 -10.014 1.00 0.00 H new ATOM 0 HD3 LYS A 59 26.358 25.381 -9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 59 27.156 23.598 -11.298 1.00 0.00 H new ATOM 0 HE3 LYS A 59 25.490 23.166 -11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 26.355 24.652 -13.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 25.099 25.412 -12.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.713 25.831 -12.142 1.00 0.00 H new ATOM 921 N PRO A 60 22.420 22.597 -6.568 1.00 0.00 N ATOM 922 CA PRO A 60 21.059 22.089 -6.760 1.00 0.00 C ATOM 923 C PRO A 60 20.621 22.141 -8.220 1.00 0.00 C ATOM 924 O PRO A 60 21.249 22.789 -9.058 1.00 0.00 O ATOM 925 CB PRO A 60 20.204 23.034 -5.912 1.00 0.00 C ATOM 926 CG PRO A 60 20.992 24.297 -5.841 1.00 0.00 C ATOM 927 CD PRO A 60 22.438 23.884 -5.851 1.00 0.00 C ATOM 0 HA PRO A 60 20.972 21.041 -6.474 1.00 0.00 H new ATOM 0 HB2 PRO A 60 19.228 23.201 -6.368 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.025 22.622 -4.919 1.00 0.00 H new ATOM 0 HG2 PRO A 60 20.766 24.946 -6.687 1.00 0.00 H new ATOM 0 HG3 PRO A 60 20.752 24.856 -4.937 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.062 24.619 -6.360 1.00 0.00 H new ATOM 0 HD3 PRO A 60 22.832 23.776 -4.841 1.00 0.00 H new ATOM 935 N PRO A 61 19.519 21.444 -8.534 1.00 0.00 N ATOM 936 CA PRO A 61 18.766 20.668 -7.545 1.00 0.00 C ATOM 937 C PRO A 61 19.529 19.436 -7.071 1.00 0.00 C ATOM 938 O PRO A 61 19.367 18.992 -5.933 1.00 0.00 O ATOM 939 CB PRO A 61 17.503 20.254 -8.306 1.00 0.00 C ATOM 940 CG PRO A 61 17.906 20.262 -9.740 1.00 0.00 C ATOM 941 CD PRO A 61 18.925 21.359 -9.878 1.00 0.00 C ATOM 0 HA PRO A 61 18.567 21.244 -6.641 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.160 19.267 -7.997 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.684 20.949 -8.121 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.326 19.300 -10.032 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.047 20.444 -10.386 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.673 21.120 -10.634 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.464 22.301 -10.174 1.00 0.00 H new ATOM 949 N LEU A 62 20.362 18.887 -7.949 1.00 0.00 N ATOM 950 CA LEU A 62 21.152 17.707 -7.619 1.00 0.00 C ATOM 951 C LEU A 62 22.202 18.032 -6.561 1.00 0.00 C ATOM 952 O LEU A 62 23.253 18.596 -6.867 1.00 0.00 O ATOM 953 CB LEU A 62 21.831 17.156 -8.874 1.00 0.00 C ATOM 954 CG LEU A 62 20.931 16.971 -10.097 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.734 17.129 -11.379 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.250 15.611 -10.056 1.00 0.00 C ATOM 0 H LEU A 62 20.507 19.241 -8.895 1.00 0.00 H new ATOM 0 HA LEU A 62 20.478 16.951 -7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.646 17.826 -9.146 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.278 16.193 -8.628 1.00 0.00 H new ATOM 0 HG LEU A 62 20.161 17.742 -10.078 1.00 0.00 H new ATOM 0 HD11 LEU A 62 21.077 16.994 -12.239 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.175 18.125 -11.412 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.526 16.381 -11.407 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.614 15.496 -10.933 1.00 0.00 H new ATOM 0 HD22 LEU A 62 21.006 14.826 -10.051 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.642 15.536 -9.154 1.00 0.00 H new ATOM 968 N TYR A 63 21.911 17.671 -5.316 1.00 0.00 N ATOM 969 CA TYR A 63 22.830 17.924 -4.213 1.00 0.00 C ATOM 970 C TYR A 63 22.534 17.001 -3.035 1.00 0.00 C ATOM 971 O TYR A 63 21.436 17.017 -2.480 1.00 0.00 O ATOM 972 CB TYR A 63 22.735 19.384 -3.767 1.00 0.00 C ATOM 973 CG TYR A 63 23.785 19.778 -2.753 1.00 0.00 C ATOM 974 CD1 TYR A 63 25.107 19.973 -3.133 1.00 0.00 C ATOM 975 CD2 TYR A 63 23.456 19.953 -1.414 1.00 0.00 C ATOM 976 CE1 TYR A 63 26.070 20.332 -2.210 1.00 0.00 C ATOM 977 CE2 TYR A 63 24.412 20.313 -0.485 1.00 0.00 C ATOM 978 CZ TYR A 63 25.718 20.501 -0.887 1.00 0.00 C ATOM 979 OH TYR A 63 26.673 20.858 0.037 1.00 0.00 O ATOM 0 H TYR A 63 21.046 17.202 -5.046 1.00 0.00 H new ATOM 0 HA TYR A 63 23.842 17.723 -4.564 1.00 0.00 H new ATOM 0 HB2 TYR A 63 22.826 20.029 -4.641 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.747 19.562 -3.342 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.387 19.842 -4.168 1.00 0.00 H new ATOM 0 HD2 TYR A 63 22.435 19.805 -1.095 1.00 0.00 H new ATOM 0 HE1 TYR A 63 27.093 20.480 -2.523 1.00 0.00 H new ATOM 0 HE2 TYR A 63 24.139 20.447 0.551 1.00 0.00 H new ATOM 0 HH TYR A 63 26.259 20.937 0.922 1.00 0.00 H new ATOM 989 N ARG A 64 23.524 16.197 -2.658 1.00 0.00 N ATOM 990 CA ARG A 64 23.371 15.265 -1.548 1.00 0.00 C ATOM 991 C ARG A 64 22.201 14.316 -1.792 1.00 0.00 C ATOM 992 O ARG A 64 21.584 13.819 -0.850 1.00 0.00 O ATOM 993 CB ARG A 64 23.157 16.028 -0.239 1.00 0.00 C ATOM 994 CG ARG A 64 24.043 17.255 -0.098 1.00 0.00 C ATOM 995 CD ARG A 64 25.412 16.893 0.456 1.00 0.00 C ATOM 996 NE ARG A 64 26.269 16.282 -0.556 1.00 0.00 N ATOM 997 CZ ARG A 64 27.595 16.270 -0.486 1.00 0.00 C ATOM 998 NH1 ARG A 64 28.213 16.831 0.544 1.00 0.00 N ATOM 999 NH2 ARG A 64 28.306 15.694 -1.447 1.00 0.00 N ATOM 0 H ARG A 64 24.440 16.173 -3.106 1.00 0.00 H new ATOM 0 HA ARG A 64 24.285 14.676 -1.473 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.113 16.335 -0.173 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.345 15.356 0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.158 17.736 -1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 64 23.562 17.978 0.561 1.00 0.00 H new ATOM 0 HD2 ARG A 64 25.894 17.790 0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 64 25.294 16.206 1.294 1.00 0.00 H new ATOM 0 HE ARG A 64 25.825 15.840 -1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 64 27.670 17.273 1.285 1.00 0.00 H new ATOM 0 HH12 ARG A 64 29.232 16.820 0.595 1.00 0.00 H new ATOM 0 HH21 ARG A 64 27.834 15.260 -2.240 1.00 0.00 H new ATOM 0 HH22 ARG A 64 29.325 15.685 -1.392 1.00 0.00 H new ATOM 1013 N VAL A 65 21.902 14.069 -3.064 1.00 0.00 N ATOM 1014 CA VAL A 65 20.808 13.178 -3.433 1.00 0.00 C ATOM 1015 C VAL A 65 21.067 11.758 -2.943 1.00 0.00 C ATOM 1016 O VAL A 65 20.148 11.061 -2.513 1.00 0.00 O ATOM 1017 CB VAL A 65 20.594 13.153 -4.958 1.00 0.00 C ATOM 1018 CG1 VAL A 65 19.368 12.327 -5.312 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.469 14.568 -5.501 1.00 0.00 C ATOM 0 H VAL A 65 22.402 14.473 -3.856 1.00 0.00 H new ATOM 0 HA VAL A 65 19.909 13.566 -2.954 1.00 0.00 H new ATOM 0 HB VAL A 65 21.463 12.686 -5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 65 19.233 12.321 -6.394 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.503 11.305 -4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.487 12.762 -4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 65 20.318 14.532 -6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.619 15.064 -5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 65 21.380 15.124 -5.280 1.00 0.00 H new ATOM 1029 N SER A 66 22.325 11.334 -3.012 1.00 0.00 N ATOM 1030 CA SER A 66 22.706 9.995 -2.579 1.00 0.00 C ATOM 1031 C SER A 66 23.982 10.036 -1.743 1.00 0.00 C ATOM 1032 O SER A 66 24.786 10.960 -1.864 1.00 0.00 O ATOM 1033 CB SER A 66 22.905 9.082 -3.790 1.00 0.00 C ATOM 1034 OG SER A 66 23.281 7.776 -3.388 1.00 0.00 O ATOM 0 H SER A 66 23.098 11.899 -3.364 1.00 0.00 H new ATOM 0 HA SER A 66 21.901 9.597 -1.961 1.00 0.00 H new ATOM 0 HB2 SER A 66 21.983 9.036 -4.370 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.672 9.500 -4.442 1.00 0.00 H new ATOM 0 HG SER A 66 23.400 7.212 -4.180 1.00 0.00 H new ATOM 1040 N SER A 67 24.159 9.028 -0.896 1.00 0.00 N ATOM 1041 CA SER A 67 25.335 8.949 -0.037 1.00 0.00 C ATOM 1042 C SER A 67 26.492 8.267 -0.762 1.00 0.00 C ATOM 1043 O SER A 67 27.302 7.573 -0.146 1.00 0.00 O ATOM 1044 CB SER A 67 25.004 8.189 1.248 1.00 0.00 C ATOM 1045 OG SER A 67 24.964 6.791 1.018 1.00 0.00 O ATOM 0 H SER A 67 23.503 8.254 -0.786 1.00 0.00 H new ATOM 0 HA SER A 67 25.637 9.965 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 67 25.750 8.414 2.010 1.00 0.00 H new ATOM 0 HB3 SER A 67 24.042 8.525 1.635 1.00 0.00 H new ATOM 0 HG SER A 67 24.752 6.328 1.855 1.00 0.00 H new ATOM 1051 N ASP A 68 26.562 8.468 -2.073 1.00 0.00 N ATOM 1052 CA ASP A 68 27.619 7.875 -2.883 1.00 0.00 C ATOM 1053 C ASP A 68 28.325 8.937 -3.719 1.00 0.00 C ATOM 1054 O ASP A 68 29.057 8.619 -4.655 1.00 0.00 O ATOM 1055 CB ASP A 68 27.044 6.789 -3.794 1.00 0.00 C ATOM 1056 CG ASP A 68 27.038 5.424 -3.136 1.00 0.00 C ATOM 1057 OD1 ASP A 68 26.641 5.336 -1.955 1.00 0.00 O ATOM 1058 OD2 ASP A 68 27.430 4.443 -3.801 1.00 0.00 O ATOM 0 H ASP A 68 25.898 9.038 -2.598 1.00 0.00 H new ATOM 0 HA ASP A 68 28.349 7.425 -2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 68 26.026 7.057 -4.076 1.00 0.00 H new ATOM 0 HB3 ASP A 68 27.628 6.743 -4.713 1.00 0.00 H new ATOM 1063 N ASN A 69 28.098 10.201 -3.375 1.00 0.00 N ATOM 1064 CA ASN A 69 28.709 11.311 -4.096 1.00 0.00 C ATOM 1065 C ASN A 69 28.253 11.332 -5.552 1.00 0.00 C ATOM 1066 O ASN A 69 29.020 11.675 -6.450 1.00 0.00 O ATOM 1067 CB ASN A 69 30.235 11.211 -4.030 1.00 0.00 C ATOM 1068 CG ASN A 69 30.789 11.700 -2.706 1.00 0.00 C ATOM 1069 OD1 ASN A 69 30.976 10.920 -1.772 1.00 0.00 O ATOM 1070 ND2 ASN A 69 31.055 12.999 -2.620 1.00 0.00 N ATOM 0 H ASN A 69 27.495 10.481 -2.601 1.00 0.00 H new ATOM 0 HA ASN A 69 28.391 12.239 -3.621 1.00 0.00 H new ATOM 0 HB2 ASN A 69 30.536 10.175 -4.186 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.670 11.795 -4.841 1.00 0.00 H new ATOM 0 HD21 ASN A 69 31.430 13.387 -1.754 1.00 0.00 H new ATOM 0 HD22 ASN A 69 30.884 13.609 -3.420 1.00 0.00 H new ATOM 1077 N GLY A 70 26.995 10.962 -5.777 1.00 0.00 N ATOM 1078 CA GLY A 70 26.457 10.946 -7.125 1.00 0.00 C ATOM 1079 C GLY A 70 27.202 9.989 -8.035 1.00 0.00 C ATOM 1080 O GLY A 70 27.449 10.297 -9.200 1.00 0.00 O ATOM 0 H GLY A 70 26.340 10.673 -5.050 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.405 10.664 -7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.504 11.951 -7.544 1.00 0.00 H new ATOM 1084 N GLN A 71 27.561 8.826 -7.501 1.00 0.00 N ATOM 1085 CA GLN A 71 28.284 7.822 -8.273 1.00 0.00 C ATOM 1086 C GLN A 71 27.318 6.893 -9.000 1.00 0.00 C ATOM 1087 O GLN A 71 27.351 6.782 -10.226 1.00 0.00 O ATOM 1088 CB GLN A 71 29.202 7.009 -7.359 1.00 0.00 C ATOM 1089 CG GLN A 71 29.899 5.857 -8.065 1.00 0.00 C ATOM 1090 CD GLN A 71 31.066 6.315 -8.917 1.00 0.00 C ATOM 1091 OE1 GLN A 71 32.226 6.091 -8.573 1.00 0.00 O ATOM 1092 NE2 GLN A 71 30.763 6.960 -10.038 1.00 0.00 N ATOM 0 H GLN A 71 27.363 8.556 -6.538 1.00 0.00 H new ATOM 0 HA GLN A 71 28.889 8.340 -9.017 1.00 0.00 H new ATOM 0 HB2 GLN A 71 29.955 7.671 -6.932 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.617 6.614 -6.528 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.255 5.143 -7.322 1.00 0.00 H new ATOM 0 HG3 GLN A 71 29.179 5.332 -8.693 1.00 0.00 H new ATOM 0 HE21 GLN A 71 29.787 7.124 -10.284 1.00 0.00 H new ATOM 0 HE22 GLN A 71 31.507 7.291 -10.653 1.00 0.00 H new ATOM 1101 N ARG A 72 26.457 6.228 -8.236 1.00 0.00 N ATOM 1102 CA ARG A 72 25.483 5.306 -8.807 1.00 0.00 C ATOM 1103 C ARG A 72 24.879 5.878 -10.087 1.00 0.00 C ATOM 1104 O ARG A 72 24.886 5.228 -11.133 1.00 0.00 O ATOM 1105 CB ARG A 72 24.375 5.010 -7.795 1.00 0.00 C ATOM 1106 CG ARG A 72 23.287 4.094 -8.333 1.00 0.00 C ATOM 1107 CD ARG A 72 22.525 3.414 -7.207 1.00 0.00 C ATOM 1108 NE ARG A 72 23.336 2.409 -6.526 1.00 0.00 N ATOM 1109 CZ ARG A 72 22.856 1.575 -5.610 1.00 0.00 C ATOM 1110 NH1 ARG A 72 21.576 1.626 -5.267 1.00 0.00 N ATOM 1111 NH2 ARG A 72 23.657 0.687 -5.034 1.00 0.00 N ATOM 0 H ARG A 72 26.414 6.311 -7.220 1.00 0.00 H new ATOM 0 HA ARG A 72 25.999 4.378 -9.052 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.816 4.554 -6.909 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.923 5.950 -7.479 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.594 4.671 -8.946 1.00 0.00 H new ATOM 0 HG3 ARG A 72 23.733 3.339 -8.980 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.197 4.164 -6.487 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.627 2.944 -7.609 1.00 0.00 H new ATOM 0 HE ARG A 72 24.325 2.344 -6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 72 20.957 2.307 -5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.211 0.984 -4.563 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.642 0.644 -5.295 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.287 0.047 -4.331 1.00 0.00 H new ATOM 1125 N LEU A 73 24.357 7.096 -9.995 1.00 0.00 N ATOM 1126 CA LEU A 73 23.746 7.755 -11.144 1.00 0.00 C ATOM 1127 C LEU A 73 24.766 7.958 -12.261 1.00 0.00 C ATOM 1128 O LEU A 73 24.577 7.485 -13.382 1.00 0.00 O ATOM 1129 CB LEU A 73 23.153 9.102 -10.729 1.00 0.00 C ATOM 1130 CG LEU A 73 22.402 9.869 -11.818 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.270 9.024 -12.381 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.867 11.185 -11.271 1.00 0.00 C ATOM 0 H LEU A 73 24.345 7.647 -9.137 1.00 0.00 H new ATOM 0 HA LEU A 73 22.948 7.113 -11.517 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.472 8.935 -9.895 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.961 9.733 -10.359 1.00 0.00 H new ATOM 0 HG LEU A 73 23.099 10.091 -12.626 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.747 9.586 -13.155 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.678 8.109 -12.810 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.573 8.771 -11.582 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.335 11.718 -12.060 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.185 10.985 -10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.697 11.796 -10.916 1.00 0.00 H new ATOM 1144 N LEU A 74 25.848 8.662 -11.946 1.00 0.00 N ATOM 1145 CA LEU A 74 26.899 8.927 -12.922 1.00 0.00 C ATOM 1146 C LEU A 74 27.242 7.666 -13.708 1.00 0.00 C ATOM 1147 O LEU A 74 27.435 7.713 -14.923 1.00 0.00 O ATOM 1148 CB LEU A 74 28.150 9.461 -12.222 1.00 0.00 C ATOM 1149 CG LEU A 74 28.162 10.960 -11.921 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.418 11.340 -11.152 1.00 0.00 C ATOM 1151 CD2 LEU A 74 28.060 11.763 -13.210 1.00 0.00 C ATOM 0 H LEU A 74 26.020 9.059 -11.023 1.00 0.00 H new ATOM 0 HA LEU A 74 26.531 9.680 -13.620 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.275 8.921 -11.283 1.00 0.00 H new ATOM 0 HB3 LEU A 74 29.016 9.228 -12.842 1.00 0.00 H new ATOM 0 HG LEU A 74 27.297 11.194 -11.301 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.409 12.410 -10.947 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.449 10.790 -10.211 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.297 11.092 -11.746 1.00 0.00 H new ATOM 0 HD21 LEU A 74 28.070 12.828 -12.977 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.906 11.525 -13.855 1.00 0.00 H new ATOM 0 HD23 LEU A 74 27.131 11.512 -13.722 1.00 0.00 H new ATOM 1163 N ASP A 75 27.315 6.539 -13.007 1.00 0.00 N ATOM 1164 CA ASP A 75 27.630 5.264 -13.640 1.00 0.00 C ATOM 1165 C ASP A 75 26.501 4.822 -14.565 1.00 0.00 C ATOM 1166 O ASP A 75 26.744 4.295 -15.650 1.00 0.00 O ATOM 1167 CB ASP A 75 27.886 4.193 -12.579 1.00 0.00 C ATOM 1168 CG ASP A 75 28.853 3.126 -13.053 1.00 0.00 C ATOM 1169 OD1 ASP A 75 30.077 3.362 -12.985 1.00 0.00 O ATOM 1170 OD2 ASP A 75 28.385 2.055 -13.492 1.00 0.00 O ATOM 0 H ASP A 75 27.160 6.483 -12.000 1.00 0.00 H new ATOM 0 HA ASP A 75 28.533 5.396 -14.237 1.00 0.00 H new ATOM 0 HB2 ASP A 75 28.282 4.664 -11.680 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.941 3.726 -12.304 1.00 0.00 H new ATOM 1175 N MET A 76 25.265 5.039 -14.127 1.00 0.00 N ATOM 1176 CA MET A 76 24.098 4.664 -14.916 1.00 0.00 C ATOM 1177 C MET A 76 23.961 5.557 -16.145 1.00 0.00 C ATOM 1178 O MET A 76 23.395 5.151 -17.160 1.00 0.00 O ATOM 1179 CB MET A 76 22.830 4.751 -14.065 1.00 0.00 C ATOM 1180 CG MET A 76 22.697 3.622 -13.055 1.00 0.00 C ATOM 1181 SD MET A 76 22.825 1.992 -13.815 1.00 0.00 S ATOM 1182 CE MET A 76 21.480 2.063 -14.997 1.00 0.00 C ATOM 0 H MET A 76 25.046 5.473 -13.230 1.00 0.00 H new ATOM 0 HA MET A 76 24.233 3.635 -15.250 1.00 0.00 H new ATOM 0 HB2 MET A 76 22.822 5.704 -13.536 1.00 0.00 H new ATOM 0 HB3 MET A 76 21.960 4.744 -14.722 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.472 3.726 -12.295 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.737 3.707 -12.545 1.00 0.00 H new ATOM 0 HE1 MET A 76 21.033 1.074 -15.099 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.726 2.768 -14.648 1.00 0.00 H new ATOM 0 HE3 MET A 76 21.862 2.390 -15.964 1.00 0.00 H new ATOM 1192 N ILE A 77 24.483 6.775 -16.046 1.00 0.00 N ATOM 1193 CA ILE A 77 24.420 7.725 -17.150 1.00 0.00 C ATOM 1194 C ILE A 77 25.587 7.530 -18.111 1.00 0.00 C ATOM 1195 O ILE A 77 25.423 7.613 -19.327 1.00 0.00 O ATOM 1196 CB ILE A 77 24.424 9.179 -16.642 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.245 9.417 -15.697 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.376 10.149 -17.813 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.290 10.757 -14.999 1.00 0.00 C ATOM 0 H ILE A 77 24.954 7.127 -15.213 1.00 0.00 H new ATOM 0 HA ILE A 77 23.485 7.535 -17.676 1.00 0.00 H new ATOM 0 HB ILE A 77 25.347 9.352 -16.089 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.316 9.342 -16.262 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.226 8.626 -14.947 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.379 11.172 -17.438 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.246 9.993 -18.450 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.468 9.977 -18.391 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.423 10.856 -14.346 1.00 0.00 H new ATOM 0 HD12 ILE A 77 24.202 10.828 -14.406 1.00 0.00 H new ATOM 0 HD13 ILE A 77 23.278 11.555 -15.742 1.00 0.00 H new ATOM 1211 N GLU A 78 26.767 7.269 -17.555 1.00 0.00 N ATOM 1212 CA GLU A 78 27.962 7.060 -18.364 1.00 0.00 C ATOM 1213 C GLU A 78 27.660 6.157 -19.557 1.00 0.00 C ATOM 1214 O GLU A 78 28.077 6.434 -20.682 1.00 0.00 O ATOM 1215 CB GLU A 78 29.078 6.447 -17.516 1.00 0.00 C ATOM 1216 CG GLU A 78 30.473 6.856 -17.958 1.00 0.00 C ATOM 1217 CD GLU A 78 31.026 5.958 -19.047 1.00 0.00 C ATOM 1218 OE1 GLU A 78 31.526 4.862 -18.717 1.00 0.00 O ATOM 1219 OE2 GLU A 78 30.958 6.351 -20.231 1.00 0.00 O ATOM 0 H GLU A 78 26.920 7.197 -16.549 1.00 0.00 H new ATOM 0 HA GLU A 78 28.291 8.030 -18.738 1.00 0.00 H new ATOM 0 HB2 GLU A 78 28.935 6.740 -16.476 1.00 0.00 H new ATOM 0 HB3 GLU A 78 28.998 5.361 -17.555 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.449 7.885 -18.318 1.00 0.00 H new ATOM 0 HG3 GLU A 78 31.143 6.834 -17.099 1.00 0.00 H new ATOM 1226 N THR A 79 26.932 5.074 -19.302 1.00 0.00 N ATOM 1227 CA THR A 79 26.575 4.128 -20.353 1.00 0.00 C ATOM 1228 C THR A 79 25.649 4.771 -21.379 1.00 0.00 C ATOM 1229 O THR A 79 25.638 4.384 -22.548 1.00 0.00 O ATOM 1230 CB THR A 79 25.891 2.876 -19.773 1.00 0.00 C ATOM 1231 OG1 THR A 79 25.941 1.806 -20.723 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.443 3.171 -19.409 1.00 0.00 C ATOM 0 H THR A 79 26.578 4.830 -18.377 1.00 0.00 H new ATOM 0 HA THR A 79 27.503 3.832 -20.841 1.00 0.00 H new ATOM 0 HB THR A 79 26.424 2.583 -18.869 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.505 1.013 -20.346 1.00 0.00 H new ATOM 0 HG21 THR A 79 23.980 2.272 -19.001 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.410 3.966 -18.664 1.00 0.00 H new ATOM 0 HG23 THR A 79 23.901 3.486 -20.300 1.00 0.00 H new ATOM 1240 N LEU A 80 24.874 5.754 -20.935 1.00 0.00 N ATOM 1241 CA LEU A 80 23.944 6.452 -21.816 1.00 0.00 C ATOM 1242 C LEU A 80 24.693 7.325 -22.817 1.00 0.00 C ATOM 1243 O LEU A 80 24.224 7.553 -23.933 1.00 0.00 O ATOM 1244 CB LEU A 80 22.979 7.309 -20.995 1.00 0.00 C ATOM 1245 CG LEU A 80 22.099 6.559 -19.995 1.00 0.00 C ATOM 1246 CD1 LEU A 80 20.995 7.464 -19.471 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.509 5.311 -20.634 1.00 0.00 C ATOM 0 H LEU A 80 24.871 6.086 -19.970 1.00 0.00 H new ATOM 0 HA LEU A 80 23.375 5.704 -22.369 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.560 8.054 -20.450 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.331 7.851 -21.683 1.00 0.00 H new ATOM 0 HG LEU A 80 22.720 6.253 -19.153 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.379 6.913 -18.761 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.437 8.327 -18.974 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.376 7.802 -20.302 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.886 4.790 -19.907 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.903 5.595 -21.495 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.315 4.653 -20.959 1.00 0.00 H new ATOM 1259 N LYS A 81 25.861 7.811 -22.412 1.00 0.00 N ATOM 1260 CA LYS A 81 26.678 8.658 -23.273 1.00 0.00 C ATOM 1261 C LYS A 81 27.411 7.824 -24.319 1.00 0.00 C ATOM 1262 O LYS A 81 27.186 7.979 -25.519 1.00 0.00 O ATOM 1263 CB LYS A 81 27.687 9.448 -22.437 1.00 0.00 C ATOM 1264 CG LYS A 81 27.133 10.751 -21.886 1.00 0.00 C ATOM 1265 CD LYS A 81 26.535 10.561 -20.502 1.00 0.00 C ATOM 1266 CE LYS A 81 27.613 10.533 -19.429 1.00 0.00 C ATOM 1267 NZ LYS A 81 28.068 11.903 -19.063 1.00 0.00 N ATOM 0 H LYS A 81 26.264 7.633 -21.492 1.00 0.00 H new ATOM 0 HA LYS A 81 26.017 9.355 -23.788 1.00 0.00 H new ATOM 0 HB2 LYS A 81 28.024 8.827 -21.607 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.562 9.665 -23.049 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.928 11.495 -21.841 1.00 0.00 H new ATOM 0 HG3 LYS A 81 26.371 11.139 -22.563 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.833 11.369 -20.294 1.00 0.00 H new ATOM 0 HD3 LYS A 81 25.968 9.631 -20.474 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.229 10.029 -18.542 1.00 0.00 H new ATOM 0 HE3 LYS A 81 28.463 9.951 -19.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.325 11.926 -18.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.896 12.159 -19.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 27.301 12.582 -19.240 1.00 0.00 H new ATOM 1281 N MET A 82 28.288 6.939 -23.856 1.00 0.00 N ATOM 1282 CA MET A 82 29.052 6.080 -24.752 1.00 0.00 C ATOM 1283 C MET A 82 28.225 5.696 -25.974 1.00 0.00 C ATOM 1284 O MET A 82 28.758 5.545 -27.073 1.00 0.00 O ATOM 1285 CB MET A 82 29.512 4.820 -24.016 1.00 0.00 C ATOM 1286 CG MET A 82 28.470 3.713 -23.998 1.00 0.00 C ATOM 1287 SD MET A 82 29.126 2.152 -23.378 1.00 0.00 S ATOM 1288 CE MET A 82 29.538 2.603 -21.694 1.00 0.00 C ATOM 0 H MET A 82 28.487 6.798 -22.866 1.00 0.00 H new ATOM 0 HA MET A 82 29.927 6.636 -25.088 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.421 4.445 -24.487 1.00 0.00 H new ATOM 0 HB3 MET A 82 29.770 5.082 -22.990 1.00 0.00 H new ATOM 0 HG2 MET A 82 27.629 4.021 -23.377 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.085 3.566 -25.007 1.00 0.00 H new ATOM 0 HE1 MET A 82 30.570 2.323 -21.485 1.00 0.00 H new ATOM 0 HE2 MET A 82 29.421 3.679 -21.566 1.00 0.00 H new ATOM 0 HE3 MET A 82 28.874 2.081 -21.005 1.00 0.00 H new