USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 554 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 64 HIS : no HE2:sc= 0 X(o=-0.46,f=-0.59) USER MOD Set 1.2: A 112 HIS : no HD1:sc= -0.464 K(o=-0.46,f=-4!) USER MOD Single : A 28 SER OG : rot -29:sc= 0.0389 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.046 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.433 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.513 K(o=0.51,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -176:sc= 1.12 (180deg=1.1) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 2:sc= 0.454 USER MOD Single : A 101 MET CE :methyl -131:sc= -1.2 (180deg=-4.9!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 171 N SER A 28 24.212 54.533 0.296 1.00 0.00 N ATOM 172 CA SER A 28 25.417 53.690 0.190 1.00 0.00 C ATOM 173 C SER A 28 26.134 53.898 -1.157 1.00 0.00 C ATOM 174 O SER A 28 25.496 54.062 -2.201 1.00 0.00 O ATOM 175 CB SER A 28 25.082 52.205 0.413 1.00 0.00 C ATOM 176 OG SER A 28 24.105 51.728 -0.507 1.00 0.00 O ATOM 0 HA SER A 28 26.101 54.000 0.980 1.00 0.00 H new ATOM 0 HB2 SER A 28 25.991 51.611 0.315 1.00 0.00 H new ATOM 0 HB3 SER A 28 24.718 52.066 1.431 1.00 0.00 H new ATOM 0 HG SER A 28 23.519 52.467 -0.774 1.00 0.00 H new ATOM 182 N VAL A 29 27.475 53.931 -1.133 1.00 0.00 N ATOM 183 CA VAL A 29 28.341 54.158 -2.310 1.00 0.00 C ATOM 184 C VAL A 29 29.766 53.626 -2.067 1.00 0.00 C ATOM 185 O VAL A 29 30.207 53.527 -0.918 1.00 0.00 O ATOM 186 CB VAL A 29 28.347 55.663 -2.684 1.00 0.00 C ATOM 187 CG1 VAL A 29 29.107 56.548 -1.687 1.00 0.00 C ATOM 188 CG2 VAL A 29 28.889 55.917 -4.094 1.00 0.00 C ATOM 0 H VAL A 29 28.006 53.797 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 29 27.935 53.600 -3.153 1.00 0.00 H new ATOM 0 HB VAL A 29 27.295 55.947 -2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 29 29.066 57.586 -2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 29 28.649 56.462 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 29 30.147 56.225 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 29 28.871 56.986 -4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 29 29.914 55.552 -4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 29 28.269 55.394 -4.822 1.00 0.00 H new ATOM 198 N SER A 30 30.498 53.299 -3.137 1.00 0.00 N ATOM 199 CA SER A 30 31.918 52.908 -3.100 1.00 0.00 C ATOM 200 C SER A 30 32.707 53.440 -4.310 1.00 0.00 C ATOM 201 O SER A 30 32.160 53.610 -5.405 1.00 0.00 O ATOM 202 CB SER A 30 32.059 51.380 -2.983 1.00 0.00 C ATOM 203 OG SER A 30 31.437 50.707 -4.071 1.00 0.00 O ATOM 0 H SER A 30 30.112 53.298 -4.081 1.00 0.00 H new ATOM 0 HA SER A 30 32.352 53.369 -2.213 1.00 0.00 H new ATOM 0 HB2 SER A 30 33.115 51.114 -2.947 1.00 0.00 H new ATOM 0 HB3 SER A 30 31.614 51.045 -2.046 1.00 0.00 H new ATOM 0 HG SER A 30 31.548 49.739 -3.964 1.00 0.00 H new ATOM 209 N PHE A 31 34.002 53.710 -4.101 1.00 0.00 N ATOM 210 CA PHE A 31 34.941 54.272 -5.089 1.00 0.00 C ATOM 211 C PHE A 31 36.362 53.683 -4.931 1.00 0.00 C ATOM 212 O PHE A 31 36.672 53.032 -3.928 1.00 0.00 O ATOM 213 CB PHE A 31 34.984 55.807 -4.934 1.00 0.00 C ATOM 214 CG PHE A 31 33.693 56.538 -5.262 1.00 0.00 C ATOM 215 CD1 PHE A 31 33.250 56.619 -6.598 1.00 0.00 C ATOM 216 CD2 PHE A 31 32.951 57.168 -4.243 1.00 0.00 C ATOM 217 CE1 PHE A 31 32.070 57.318 -6.911 1.00 0.00 C ATOM 218 CE2 PHE A 31 31.776 57.874 -4.559 1.00 0.00 C ATOM 219 CZ PHE A 31 31.333 57.948 -5.892 1.00 0.00 C ATOM 0 H PHE A 31 34.447 53.536 -3.200 1.00 0.00 H new ATOM 0 HA PHE A 31 34.587 54.007 -6.085 1.00 0.00 H new ATOM 0 HB2 PHE A 31 35.263 56.043 -3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 31 35.774 56.197 -5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 31 33.818 56.143 -7.383 1.00 0.00 H new ATOM 0 HD2 PHE A 31 33.285 57.109 -3.218 1.00 0.00 H new ATOM 0 HE1 PHE A 31 31.730 57.371 -7.935 1.00 0.00 H new ATOM 0 HE2 PHE A 31 31.213 58.360 -3.776 1.00 0.00 H new ATOM 0 HZ PHE A 31 30.429 58.487 -6.133 1.00 0.00 H new ATOM 229 N GLY A 32 37.239 53.950 -5.908 1.00 0.00 N ATOM 230 CA GLY A 32 38.664 53.584 -5.878 1.00 0.00 C ATOM 231 C GLY A 32 38.948 52.192 -6.452 1.00 0.00 C ATOM 232 O GLY A 32 39.088 51.219 -5.708 1.00 0.00 O ATOM 0 H GLY A 32 36.972 54.438 -6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 32 39.233 54.324 -6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 32 39.020 53.624 -4.849 1.00 0.00 H new ATOM 236 N ALA A 33 39.059 52.114 -7.782 1.00 0.00 N ATOM 237 CA ALA A 33 39.428 50.908 -8.534 1.00 0.00 C ATOM 238 C ALA A 33 40.400 51.241 -9.700 1.00 0.00 C ATOM 239 O ALA A 33 40.037 51.091 -10.873 1.00 0.00 O ATOM 240 CB ALA A 33 38.132 50.214 -8.983 1.00 0.00 C ATOM 0 H ALA A 33 38.888 52.917 -8.387 1.00 0.00 H new ATOM 0 HA ALA A 33 39.985 50.214 -7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 33 38.378 49.313 -9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.541 49.946 -8.107 1.00 0.00 H new ATOM 0 HB3 ALA A 33 37.557 50.891 -9.615 1.00 0.00 H new ATOM 246 N PRO A 34 41.618 51.747 -9.405 1.00 0.00 N ATOM 247 CA PRO A 34 42.582 52.185 -10.419 1.00 0.00 C ATOM 248 C PRO A 34 43.156 51.022 -11.251 1.00 0.00 C ATOM 249 O PRO A 34 43.302 49.895 -10.763 1.00 0.00 O ATOM 250 CB PRO A 34 43.678 52.923 -9.640 1.00 0.00 C ATOM 251 CG PRO A 34 43.664 52.230 -8.278 1.00 0.00 C ATOM 252 CD PRO A 34 42.181 51.933 -8.071 1.00 0.00 C ATOM 0 HA PRO A 34 42.101 52.826 -11.158 1.00 0.00 H new ATOM 0 HB2 PRO A 34 44.649 52.833 -10.128 1.00 0.00 H new ATOM 0 HB3 PRO A 34 43.462 53.988 -9.552 1.00 0.00 H new ATOM 0 HG2 PRO A 34 44.263 51.320 -8.280 1.00 0.00 H new ATOM 0 HG3 PRO A 34 44.062 52.872 -7.492 1.00 0.00 H new ATOM 0 HD2 PRO A 34 42.043 51.040 -7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 34 41.688 52.754 -7.550 1.00 0.00 H new ATOM 260 N SER A 35 43.513 51.311 -12.505 1.00 0.00 N ATOM 261 CA SER A 35 44.072 50.344 -13.472 1.00 0.00 C ATOM 262 C SER A 35 45.105 50.962 -14.451 1.00 0.00 C ATOM 263 O SER A 35 44.983 50.794 -15.671 1.00 0.00 O ATOM 264 CB SER A 35 42.916 49.626 -14.196 1.00 0.00 C ATOM 265 OG SER A 35 42.014 50.543 -14.813 1.00 0.00 O ATOM 0 H SER A 35 43.421 52.250 -12.893 1.00 0.00 H new ATOM 0 HA SER A 35 44.651 49.609 -12.913 1.00 0.00 H new ATOM 0 HB2 SER A 35 43.324 48.956 -14.953 1.00 0.00 H new ATOM 0 HB3 SER A 35 42.371 49.008 -13.483 1.00 0.00 H new ATOM 0 HG SER A 35 41.298 50.046 -15.262 1.00 0.00 H new ATOM 271 N PRO A 36 46.132 51.695 -13.962 1.00 0.00 N ATOM 272 CA PRO A 36 47.147 52.323 -14.815 1.00 0.00 C ATOM 273 C PRO A 36 47.980 51.289 -15.597 1.00 0.00 C ATOM 274 O PRO A 36 48.348 50.235 -15.067 1.00 0.00 O ATOM 275 CB PRO A 36 48.018 53.160 -13.871 1.00 0.00 C ATOM 276 CG PRO A 36 47.914 52.410 -12.543 1.00 0.00 C ATOM 277 CD PRO A 36 46.471 51.909 -12.559 1.00 0.00 C ATOM 0 HA PRO A 36 46.682 52.940 -15.584 1.00 0.00 H new ATOM 0 HB2 PRO A 36 49.049 53.219 -14.220 1.00 0.00 H new ATOM 0 HB3 PRO A 36 47.651 54.183 -13.786 1.00 0.00 H new ATOM 0 HG2 PRO A 36 48.628 51.589 -12.484 1.00 0.00 H new ATOM 0 HG3 PRO A 36 48.108 53.063 -11.692 1.00 0.00 H new ATOM 0 HD2 PRO A 36 46.373 50.985 -11.989 1.00 0.00 H new ATOM 0 HD3 PRO A 36 45.801 52.637 -12.103 1.00 0.00 H new ATOM 285 N LEU A 37 48.292 51.609 -16.861 1.00 0.00 N ATOM 286 CA LEU A 37 48.980 50.707 -17.806 1.00 0.00 C ATOM 287 C LEU A 37 50.046 51.372 -18.706 1.00 0.00 C ATOM 288 O LEU A 37 50.586 50.720 -19.603 1.00 0.00 O ATOM 289 CB LEU A 37 47.927 49.908 -18.611 1.00 0.00 C ATOM 290 CG LEU A 37 47.259 50.612 -19.814 1.00 0.00 C ATOM 291 CD1 LEU A 37 46.256 49.654 -20.461 1.00 0.00 C ATOM 292 CD2 LEU A 37 46.508 51.895 -19.450 1.00 0.00 C ATOM 0 H LEU A 37 48.071 52.518 -17.266 1.00 0.00 H new ATOM 0 HA LEU A 37 49.576 50.022 -17.203 1.00 0.00 H new ATOM 0 HB2 LEU A 37 48.403 48.998 -18.977 1.00 0.00 H new ATOM 0 HB3 LEU A 37 47.140 49.601 -17.922 1.00 0.00 H new ATOM 0 HG LEU A 37 48.070 50.888 -20.488 1.00 0.00 H new ATOM 0 HD11 LEU A 37 45.781 50.144 -21.311 1.00 0.00 H new ATOM 0 HD12 LEU A 37 46.776 48.759 -20.803 1.00 0.00 H new ATOM 0 HD13 LEU A 37 45.496 49.376 -19.731 1.00 0.00 H new ATOM 0 HD21 LEU A 37 46.069 52.327 -20.349 1.00 0.00 H new ATOM 0 HD22 LEU A 37 45.718 51.664 -18.735 1.00 0.00 H new ATOM 0 HD23 LEU A 37 47.202 52.609 -19.006 1.00 0.00 H new ATOM 304 N SER A 38 50.361 52.656 -18.491 1.00 0.00 N ATOM 305 CA SER A 38 51.333 53.398 -19.311 1.00 0.00 C ATOM 306 C SER A 38 52.781 53.020 -18.961 1.00 0.00 C ATOM 307 O SER A 38 53.163 53.011 -17.786 1.00 0.00 O ATOM 308 CB SER A 38 51.114 54.908 -19.164 1.00 0.00 C ATOM 309 OG SER A 38 51.930 55.608 -20.093 1.00 0.00 O ATOM 0 H SER A 38 49.949 53.213 -17.742 1.00 0.00 H new ATOM 0 HA SER A 38 51.169 53.120 -20.352 1.00 0.00 H new ATOM 0 HB2 SER A 38 50.065 55.150 -19.334 1.00 0.00 H new ATOM 0 HB3 SER A 38 51.353 55.222 -18.148 1.00 0.00 H new ATOM 0 HG SER A 38 51.784 56.572 -19.995 1.00 0.00 H new ATOM 315 N SER A 39 53.587 52.702 -19.980 1.00 0.00 N ATOM 316 CA SER A 39 55.010 52.350 -19.861 1.00 0.00 C ATOM 317 C SER A 39 55.754 52.569 -21.189 1.00 0.00 C ATOM 318 O SER A 39 55.168 52.439 -22.268 1.00 0.00 O ATOM 319 CB SER A 39 55.147 50.883 -19.429 1.00 0.00 C ATOM 320 OG SER A 39 56.494 50.582 -19.094 1.00 0.00 O ATOM 0 H SER A 39 53.257 52.681 -20.945 1.00 0.00 H new ATOM 0 HA SER A 39 55.457 53.000 -19.109 1.00 0.00 H new ATOM 0 HB2 SER A 39 54.502 50.689 -18.572 1.00 0.00 H new ATOM 0 HB3 SER A 39 54.812 50.229 -20.234 1.00 0.00 H new ATOM 0 HG SER A 39 56.561 49.644 -18.820 1.00 0.00 H new ATOM 326 N GLU A 40 57.050 52.888 -21.121 1.00 0.00 N ATOM 327 CA GLU A 40 57.948 53.035 -22.279 1.00 0.00 C ATOM 328 C GLU A 40 59.408 52.670 -21.936 1.00 0.00 C ATOM 329 O GLU A 40 59.850 52.817 -20.791 1.00 0.00 O ATOM 330 CB GLU A 40 57.852 54.456 -22.873 1.00 0.00 C ATOM 331 CG GLU A 40 58.260 55.584 -21.914 1.00 0.00 C ATOM 332 CD GLU A 40 58.091 56.962 -22.582 1.00 0.00 C ATOM 333 OE1 GLU A 40 56.954 57.495 -22.610 1.00 0.00 O ATOM 334 OE2 GLU A 40 59.095 57.537 -23.071 1.00 0.00 O ATOM 0 H GLU A 40 57.521 53.057 -20.232 1.00 0.00 H new ATOM 0 HA GLU A 40 57.615 52.325 -23.036 1.00 0.00 H new ATOM 0 HB2 GLU A 40 58.483 54.507 -23.761 1.00 0.00 H new ATOM 0 HB3 GLU A 40 56.827 54.629 -23.200 1.00 0.00 H new ATOM 0 HG2 GLU A 40 57.652 55.536 -21.011 1.00 0.00 H new ATOM 0 HG3 GLU A 40 59.297 55.449 -21.608 1.00 0.00 H new ATOM 341 N SER A 41 60.162 52.198 -22.936 1.00 0.00 N ATOM 342 CA SER A 41 61.593 51.871 -22.826 1.00 0.00 C ATOM 343 C SER A 41 62.269 52.025 -24.197 1.00 0.00 C ATOM 344 O SER A 41 62.120 51.178 -25.081 1.00 0.00 O ATOM 345 CB SER A 41 61.755 50.447 -22.276 1.00 0.00 C ATOM 346 OG SER A 41 63.108 50.207 -21.926 1.00 0.00 O ATOM 0 H SER A 41 59.786 52.028 -23.869 1.00 0.00 H new ATOM 0 HA SER A 41 62.078 52.559 -22.134 1.00 0.00 H new ATOM 0 HB2 SER A 41 61.117 50.312 -21.403 1.00 0.00 H new ATOM 0 HB3 SER A 41 61.431 49.722 -23.023 1.00 0.00 H new ATOM 0 HG SER A 41 63.199 49.297 -21.575 1.00 0.00 H new ATOM 352 N GLU A 42 62.948 53.159 -24.407 1.00 0.00 N ATOM 353 CA GLU A 42 63.456 53.593 -25.725 1.00 0.00 C ATOM 354 C GLU A 42 64.746 54.442 -25.643 1.00 0.00 C ATOM 355 O GLU A 42 65.006 55.297 -26.490 1.00 0.00 O ATOM 356 CB GLU A 42 62.325 54.277 -26.525 1.00 0.00 C ATOM 357 CG GLU A 42 61.712 55.512 -25.845 1.00 0.00 C ATOM 358 CD GLU A 42 60.665 56.168 -26.767 1.00 0.00 C ATOM 359 OE1 GLU A 42 59.523 55.652 -26.868 1.00 0.00 O ATOM 360 OE2 GLU A 42 60.971 57.204 -27.407 1.00 0.00 O ATOM 0 H GLU A 42 63.166 53.815 -23.657 1.00 0.00 H new ATOM 0 HA GLU A 42 63.765 52.701 -26.271 1.00 0.00 H new ATOM 0 HB2 GLU A 42 62.715 54.572 -27.499 1.00 0.00 H new ATOM 0 HB3 GLU A 42 61.534 53.549 -26.705 1.00 0.00 H new ATOM 0 HG2 GLU A 42 61.246 55.223 -24.903 1.00 0.00 H new ATOM 0 HG3 GLU A 42 62.496 56.230 -25.606 1.00 0.00 H new ATOM 367 N ASP A 43 65.579 54.193 -24.625 1.00 0.00 N ATOM 368 CA ASP A 43 66.853 54.885 -24.361 1.00 0.00 C ATOM 369 C ASP A 43 67.977 54.430 -25.321 1.00 0.00 C ATOM 370 O ASP A 43 68.982 53.842 -24.912 1.00 0.00 O ATOM 371 CB ASP A 43 67.222 54.715 -22.879 1.00 0.00 C ATOM 372 CG ASP A 43 66.190 55.389 -21.959 1.00 0.00 C ATOM 373 OD1 ASP A 43 66.291 56.622 -21.743 1.00 0.00 O ATOM 374 OD2 ASP A 43 65.279 54.693 -21.449 1.00 0.00 O ATOM 0 H ASP A 43 65.378 53.473 -23.931 1.00 0.00 H new ATOM 0 HA ASP A 43 66.728 55.949 -24.561 1.00 0.00 H new ATOM 0 HB2 ASP A 43 67.287 53.654 -22.639 1.00 0.00 H new ATOM 0 HB3 ASP A 43 68.208 55.144 -22.697 1.00 0.00 H new ATOM 379 N GLU A 44 67.771 54.647 -26.624 1.00 0.00 N ATOM 380 CA GLU A 44 68.596 54.141 -27.737 1.00 0.00 C ATOM 381 C GLU A 44 68.775 52.608 -27.688 1.00 0.00 C ATOM 382 O GLU A 44 69.878 52.075 -27.834 1.00 0.00 O ATOM 383 CB GLU A 44 69.912 54.937 -27.869 1.00 0.00 C ATOM 384 CG GLU A 44 69.676 56.433 -28.118 1.00 0.00 C ATOM 385 CD GLU A 44 71.008 57.164 -28.372 1.00 0.00 C ATOM 386 OE1 GLU A 44 71.641 57.646 -27.400 1.00 0.00 O ATOM 387 OE2 GLU A 44 71.433 57.271 -29.549 1.00 0.00 O ATOM 0 H GLU A 44 66.985 55.208 -26.953 1.00 0.00 H new ATOM 0 HA GLU A 44 68.054 54.319 -28.666 1.00 0.00 H new ATOM 0 HB2 GLU A 44 70.500 54.812 -26.960 1.00 0.00 H new ATOM 0 HB3 GLU A 44 70.501 54.525 -28.688 1.00 0.00 H new ATOM 0 HG2 GLU A 44 69.016 56.563 -28.975 1.00 0.00 H new ATOM 0 HG3 GLU A 44 69.173 56.874 -27.258 1.00 0.00 H new ATOM 631 N ALA A 61 66.538 33.481 -15.509 1.00 0.00 N ATOM 632 CA ALA A 61 67.847 32.867 -15.298 1.00 0.00 C ATOM 633 C ALA A 61 67.943 32.103 -13.967 1.00 0.00 C ATOM 634 O ALA A 61 67.470 32.578 -12.930 1.00 0.00 O ATOM 635 CB ALA A 61 68.942 33.934 -15.400 1.00 0.00 C ATOM 0 HA ALA A 61 67.989 32.124 -16.083 1.00 0.00 H new ATOM 0 HB1 ALA A 61 69.916 33.472 -15.242 1.00 0.00 H new ATOM 0 HB2 ALA A 61 68.913 34.391 -16.389 1.00 0.00 H new ATOM 0 HB3 ALA A 61 68.776 34.699 -14.642 1.00 0.00 H new ATOM 641 N ALA A 62 68.610 30.949 -13.992 1.00 0.00 N ATOM 642 CA ALA A 62 69.091 30.245 -12.806 1.00 0.00 C ATOM 643 C ALA A 62 70.483 30.763 -12.387 1.00 0.00 C ATOM 644 O ALA A 62 71.241 31.294 -13.205 1.00 0.00 O ATOM 645 CB ALA A 62 69.081 28.735 -13.074 1.00 0.00 C ATOM 0 H ALA A 62 68.836 30.466 -14.862 1.00 0.00 H new ATOM 0 HA ALA A 62 68.425 30.441 -11.965 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.439 28.206 -12.191 1.00 0.00 H new ATOM 0 HB2 ALA A 62 68.065 28.413 -13.302 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.731 28.511 -13.920 1.00 0.00 H new ATOM 651 N LEU A 63 70.813 30.612 -11.099 1.00 0.00 N ATOM 652 CA LEU A 63 72.042 31.127 -10.483 1.00 0.00 C ATOM 653 C LEU A 63 72.741 30.069 -9.615 1.00 0.00 C ATOM 654 O LEU A 63 72.098 29.160 -9.083 1.00 0.00 O ATOM 655 CB LEU A 63 71.715 32.358 -9.611 1.00 0.00 C ATOM 656 CG LEU A 63 71.068 33.552 -10.334 1.00 0.00 C ATOM 657 CD1 LEU A 63 70.756 34.644 -9.312 1.00 0.00 C ATOM 658 CD2 LEU A 63 71.984 34.158 -11.393 1.00 0.00 C ATOM 0 H LEU A 63 70.216 30.115 -10.438 1.00 0.00 H new ATOM 0 HA LEU A 63 72.719 31.402 -11.292 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.049 32.042 -8.809 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.638 32.701 -9.143 1.00 0.00 H new ATOM 0 HG LEU A 63 70.168 33.182 -10.824 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.297 35.494 -9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.069 34.254 -8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 63 71.679 34.964 -8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 63 71.480 34.997 -11.873 1.00 0.00 H new ATOM 0 HD22 LEU A 63 72.903 34.508 -10.922 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.225 33.403 -12.141 1.00 0.00 H new ATOM 670 N HIS A 64 74.046 30.247 -9.400 1.00 0.00 N ATOM 671 CA HIS A 64 74.786 29.574 -8.326 1.00 0.00 C ATOM 672 C HIS A 64 74.579 30.330 -7.005 1.00 0.00 C ATOM 673 O HIS A 64 74.619 31.561 -6.988 1.00 0.00 O ATOM 674 CB HIS A 64 76.268 29.493 -8.703 1.00 0.00 C ATOM 675 CG HIS A 64 76.568 28.527 -9.819 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.539 27.133 -9.707 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.949 28.866 -11.085 1.00 0.00 C ATOM 678 CE1 HIS A 64 76.908 26.664 -10.910 1.00 0.00 C ATOM 679 NE2 HIS A 64 77.165 27.681 -11.752 1.00 0.00 N ATOM 0 H HIS A 64 74.624 30.866 -9.969 1.00 0.00 H new ATOM 0 HA HIS A 64 74.414 28.558 -8.193 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.612 30.485 -8.994 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.840 29.202 -7.822 1.00 0.00 H new ATOM 0 HD1 HIS A 64 76.289 26.586 -8.883 1.00 0.00 H new ATOM 0 HD2 HIS A 64 77.059 29.864 -11.484 1.00 0.00 H new ATOM 0 HE1 HIS A 64 76.987 25.618 -11.165 1.00 0.00 H new ATOM 687 N ALA A 65 74.364 29.614 -5.898 1.00 0.00 N ATOM 688 CA ALA A 65 74.014 30.220 -4.605 1.00 0.00 C ATOM 689 C ALA A 65 75.212 30.432 -3.654 1.00 0.00 C ATOM 690 O ALA A 65 75.135 31.257 -2.742 1.00 0.00 O ATOM 691 CB ALA A 65 72.935 29.342 -3.958 1.00 0.00 C ATOM 0 H ALA A 65 74.427 28.596 -5.870 1.00 0.00 H new ATOM 0 HA ALA A 65 73.644 31.228 -4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.652 29.765 -2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 65 72.061 29.302 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.325 28.335 -3.812 1.00 0.00 H new ATOM 697 N GLU A 66 76.312 29.695 -3.850 1.00 0.00 N ATOM 698 CA GLU A 66 77.471 29.639 -2.940 1.00 0.00 C ATOM 699 C GLU A 66 78.814 29.588 -3.701 1.00 0.00 C ATOM 700 O GLU A 66 78.859 29.315 -4.904 1.00 0.00 O ATOM 701 CB GLU A 66 77.349 28.412 -2.012 1.00 0.00 C ATOM 702 CG GLU A 66 76.148 28.478 -1.058 1.00 0.00 C ATOM 703 CD GLU A 66 76.168 27.299 -0.067 1.00 0.00 C ATOM 704 OE1 GLU A 66 75.595 26.225 -0.377 1.00 0.00 O ATOM 705 OE2 GLU A 66 76.752 27.435 1.036 1.00 0.00 O ATOM 0 H GLU A 66 76.427 29.101 -4.671 1.00 0.00 H new ATOM 0 HA GLU A 66 77.466 30.556 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.268 27.512 -2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.263 28.318 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.166 29.420 -0.509 1.00 0.00 H new ATOM 0 HG3 GLU A 66 75.221 28.460 -1.632 1.00 0.00 H new ATOM 712 N GLY A 67 79.921 29.835 -2.988 1.00 0.00 N ATOM 713 CA GLY A 67 81.283 29.794 -3.538 1.00 0.00 C ATOM 714 C GLY A 67 81.628 30.983 -4.454 1.00 0.00 C ATOM 715 O GLY A 67 80.933 32.004 -4.437 1.00 0.00 O ATOM 0 H GLY A 67 79.895 30.073 -1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.995 29.766 -2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.409 28.868 -4.100 1.00 0.00 H new ATOM 719 N PRO A 68 82.691 30.876 -5.280 1.00 0.00 N ATOM 720 CA PRO A 68 83.173 31.981 -6.120 1.00 0.00 C ATOM 721 C PRO A 68 82.202 32.372 -7.251 1.00 0.00 C ATOM 722 O PRO A 68 82.308 33.475 -7.792 1.00 0.00 O ATOM 723 CB PRO A 68 84.527 31.507 -6.662 1.00 0.00 C ATOM 724 CG PRO A 68 84.396 29.986 -6.678 1.00 0.00 C ATOM 725 CD PRO A 68 83.553 29.710 -5.436 1.00 0.00 C ATOM 0 HA PRO A 68 83.258 32.897 -5.535 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.720 31.903 -7.659 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.350 31.832 -6.025 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.908 29.631 -7.586 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.368 29.495 -6.625 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.964 28.801 -5.556 1.00 0.00 H new ATOM 0 HD3 PRO A 68 84.183 29.568 -4.558 1.00 0.00 H new ATOM 733 N LEU A 69 81.240 31.501 -7.593 1.00 0.00 N ATOM 734 CA LEU A 69 80.185 31.770 -8.577 1.00 0.00 C ATOM 735 C LEU A 69 78.874 32.300 -7.959 1.00 0.00 C ATOM 736 O LEU A 69 77.896 32.446 -8.683 1.00 0.00 O ATOM 737 CB LEU A 69 79.942 30.523 -9.455 1.00 0.00 C ATOM 738 CG LEU A 69 81.136 30.054 -10.309 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.737 28.788 -11.065 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.602 31.091 -11.330 1.00 0.00 C ATOM 0 H LEU A 69 81.174 30.570 -7.183 1.00 0.00 H new ATOM 0 HA LEU A 69 80.546 32.582 -9.208 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.639 29.700 -8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 69 79.104 30.730 -10.121 1.00 0.00 H new ATOM 0 HG LEU A 69 81.963 29.880 -9.620 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.575 28.448 -11.673 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.466 28.009 -10.352 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.885 29.003 -11.710 1.00 0.00 H new ATOM 0 HD21 LEU A 69 82.445 30.692 -11.895 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.784 31.322 -12.013 1.00 0.00 H new ATOM 0 HD23 LEU A 69 81.910 31.999 -10.812 1.00 0.00 H new ATOM 752 N ALA A 70 78.802 32.597 -6.659 1.00 0.00 N ATOM 753 CA ALA A 70 77.563 33.062 -6.031 1.00 0.00 C ATOM 754 C ALA A 70 76.987 34.312 -6.735 1.00 0.00 C ATOM 755 O ALA A 70 77.646 35.349 -6.856 1.00 0.00 O ATOM 756 CB ALA A 70 77.806 33.308 -4.539 1.00 0.00 C ATOM 0 H ALA A 70 79.592 32.523 -6.018 1.00 0.00 H new ATOM 0 HA ALA A 70 76.808 32.283 -6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.884 33.654 -4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 70 78.127 32.380 -4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.581 34.065 -4.416 1.00 0.00 H new ATOM 762 N GLY A 71 75.743 34.189 -7.209 1.00 0.00 N ATOM 763 CA GLY A 71 75.028 35.201 -7.998 1.00 0.00 C ATOM 764 C GLY A 71 75.336 35.202 -9.508 1.00 0.00 C ATOM 765 O GLY A 71 74.865 36.096 -10.213 1.00 0.00 O ATOM 0 H GLY A 71 75.184 33.351 -7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 71 73.957 35.052 -7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.266 36.186 -7.595 1.00 0.00 H new ATOM 769 N LEU A 72 76.109 34.230 -10.012 1.00 0.00 N ATOM 770 CA LEU A 72 76.517 34.086 -11.423 1.00 0.00 C ATOM 771 C LEU A 72 75.708 32.960 -12.135 1.00 0.00 C ATOM 772 O LEU A 72 75.098 32.132 -11.450 1.00 0.00 O ATOM 773 CB LEU A 72 78.058 33.908 -11.474 1.00 0.00 C ATOM 774 CG LEU A 72 78.893 34.988 -10.746 1.00 0.00 C ATOM 775 CD1 LEU A 72 80.365 34.849 -11.140 1.00 0.00 C ATOM 776 CD2 LEU A 72 78.492 36.427 -11.082 1.00 0.00 C ATOM 0 H LEU A 72 76.486 33.487 -9.423 1.00 0.00 H new ATOM 0 HA LEU A 72 76.277 34.985 -11.990 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.305 32.937 -11.046 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.366 33.883 -12.519 1.00 0.00 H new ATOM 0 HG LEU A 72 78.713 34.819 -9.684 1.00 0.00 H new ATOM 0 HD11 LEU A 72 80.952 35.610 -10.627 1.00 0.00 H new ATOM 0 HD12 LEU A 72 80.726 33.860 -10.857 1.00 0.00 H new ATOM 0 HD13 LEU A 72 80.467 34.977 -12.218 1.00 0.00 H new ATOM 0 HD21 LEU A 72 79.127 37.120 -10.530 1.00 0.00 H new ATOM 0 HD22 LEU A 72 78.613 36.598 -12.152 1.00 0.00 H new ATOM 0 HD23 LEU A 72 77.450 36.589 -10.804 1.00 0.00 H new ATOM 788 N PRO A 73 75.645 32.930 -13.487 1.00 0.00 N ATOM 789 CA PRO A 73 74.727 32.074 -14.256 1.00 0.00 C ATOM 790 C PRO A 73 75.109 30.589 -14.232 1.00 0.00 C ATOM 791 O PRO A 73 76.252 30.248 -13.940 1.00 0.00 O ATOM 792 CB PRO A 73 74.789 32.611 -15.692 1.00 0.00 C ATOM 793 CG PRO A 73 76.178 33.214 -15.804 1.00 0.00 C ATOM 794 CD PRO A 73 76.450 33.729 -14.401 1.00 0.00 C ATOM 0 HA PRO A 73 73.728 32.114 -13.821 1.00 0.00 H new ATOM 0 HB2 PRO A 73 74.640 31.815 -16.422 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.015 33.357 -15.872 1.00 0.00 H new ATOM 0 HG2 PRO A 73 76.915 32.472 -16.110 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.210 34.017 -16.540 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.509 33.642 -14.158 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.190 34.784 -14.321 1.00 0.00 H new ATOM 802 N VAL A 74 74.196 29.694 -14.624 1.00 0.00 N ATOM 803 CA VAL A 74 74.461 28.244 -14.717 1.00 0.00 C ATOM 804 C VAL A 74 74.501 27.745 -16.175 1.00 0.00 C ATOM 805 O VAL A 74 75.226 26.791 -16.465 1.00 0.00 O ATOM 806 CB VAL A 74 73.455 27.443 -13.863 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.883 25.979 -13.694 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.288 28.022 -12.448 1.00 0.00 C ATOM 0 H VAL A 74 73.245 29.951 -14.888 1.00 0.00 H new ATOM 0 HA VAL A 74 75.457 28.072 -14.309 1.00 0.00 H new ATOM 0 HB VAL A 74 72.514 27.510 -14.409 1.00 0.00 H new ATOM 0 HG11 VAL A 74 73.147 25.452 -13.087 1.00 0.00 H new ATOM 0 HG12 VAL A 74 73.952 25.505 -14.673 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.855 25.939 -13.202 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.570 27.420 -11.891 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.249 28.008 -11.934 1.00 0.00 H new ATOM 0 HG23 VAL A 74 72.927 29.048 -12.515 1.00 0.00 H new ATOM 818 N THR A 75 73.797 28.403 -17.108 1.00 0.00 N ATOM 819 CA THR A 75 73.739 28.050 -18.550 1.00 0.00 C ATOM 820 C THR A 75 74.101 29.202 -19.494 1.00 0.00 C ATOM 821 O THR A 75 74.239 30.351 -19.072 1.00 0.00 O ATOM 822 CB THR A 75 72.362 27.483 -18.942 1.00 0.00 C ATOM 823 OG1 THR A 75 71.409 28.521 -19.003 1.00 0.00 O ATOM 824 CG2 THR A 75 71.902 26.393 -17.980 1.00 0.00 C ATOM 0 H THR A 75 73.232 29.222 -16.882 1.00 0.00 H new ATOM 0 HA THR A 75 74.504 27.283 -18.674 1.00 0.00 H new ATOM 0 HB THR A 75 72.459 27.027 -19.927 1.00 0.00 H new ATOM 0 HG1 THR A 75 70.537 28.150 -19.254 1.00 0.00 H new ATOM 0 HG21 THR A 75 70.927 26.020 -18.292 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.622 25.575 -17.986 1.00 0.00 H new ATOM 0 HG23 THR A 75 71.828 26.804 -16.973 1.00 0.00 H new ATOM 832 N ARG A 76 74.218 28.918 -20.804 1.00 0.00 N ATOM 833 CA ARG A 76 74.370 29.955 -21.850 1.00 0.00 C ATOM 834 C ARG A 76 73.173 30.908 -21.871 1.00 0.00 C ATOM 835 O ARG A 76 73.362 32.116 -21.966 1.00 0.00 O ATOM 836 CB ARG A 76 74.523 29.296 -23.241 1.00 0.00 C ATOM 837 CG ARG A 76 75.920 28.742 -23.557 1.00 0.00 C ATOM 838 CD ARG A 76 76.967 29.857 -23.663 1.00 0.00 C ATOM 839 NE ARG A 76 78.228 29.351 -24.244 1.00 0.00 N ATOM 840 CZ ARG A 76 78.821 29.763 -25.352 1.00 0.00 C ATOM 841 NH1 ARG A 76 78.373 30.730 -26.093 1.00 0.00 N ATOM 842 NH2 ARG A 76 79.913 29.214 -25.785 1.00 0.00 N ATOM 0 H ARG A 76 74.210 27.966 -21.170 1.00 0.00 H new ATOM 0 HA ARG A 76 75.266 30.529 -21.614 1.00 0.00 H new ATOM 0 HB2 ARG A 76 73.802 28.483 -23.320 1.00 0.00 H new ATOM 0 HB3 ARG A 76 74.261 30.030 -24.003 1.00 0.00 H new ATOM 0 HG2 ARG A 76 76.216 28.039 -22.779 1.00 0.00 H new ATOM 0 HG3 ARG A 76 75.886 28.185 -24.494 1.00 0.00 H new ATOM 0 HD2 ARG A 76 76.578 30.667 -24.280 1.00 0.00 H new ATOM 0 HD3 ARG A 76 77.160 30.274 -22.674 1.00 0.00 H new ATOM 0 HE ARG A 76 78.693 28.600 -23.734 1.00 0.00 H new ATOM 0 HH11 ARG A 76 77.517 31.219 -25.831 1.00 0.00 H new ATOM 0 HH12 ARG A 76 78.877 31.001 -26.937 1.00 0.00 H new ATOM 0 HH21 ARG A 76 80.336 28.444 -25.268 1.00 0.00 H new ATOM 0 HH22 ARG A 76 80.349 29.552 -26.643 1.00 0.00 H new ATOM 856 N SER A 77 71.958 30.377 -21.716 1.00 0.00 N ATOM 857 CA SER A 77 70.743 31.197 -21.607 1.00 0.00 C ATOM 858 C SER A 77 70.794 32.079 -20.357 1.00 0.00 C ATOM 859 O SER A 77 70.584 33.287 -20.460 1.00 0.00 O ATOM 860 CB SER A 77 69.486 30.321 -21.606 1.00 0.00 C ATOM 861 OG SER A 77 68.345 31.138 -21.823 1.00 0.00 O ATOM 0 H SER A 77 71.786 29.373 -21.662 1.00 0.00 H new ATOM 0 HA SER A 77 70.697 31.847 -22.480 1.00 0.00 H new ATOM 0 HB2 SER A 77 69.557 29.562 -22.385 1.00 0.00 H new ATOM 0 HB3 SER A 77 69.396 29.795 -20.655 1.00 0.00 H new ATOM 0 HG SER A 77 67.539 30.581 -21.825 1.00 0.00 H new ATOM 867 N ASP A 78 71.209 31.531 -19.205 1.00 0.00 N ATOM 868 CA ASP A 78 71.373 32.332 -17.987 1.00 0.00 C ATOM 869 C ASP A 78 72.402 33.457 -18.189 1.00 0.00 C ATOM 870 O ASP A 78 72.139 34.602 -17.826 1.00 0.00 O ATOM 871 CB ASP A 78 71.833 31.466 -16.812 1.00 0.00 C ATOM 872 CG ASP A 78 70.897 30.330 -16.387 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.662 30.415 -16.581 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.442 29.379 -15.783 1.00 0.00 O ATOM 0 H ASP A 78 71.435 30.543 -19.093 1.00 0.00 H new ATOM 0 HA ASP A 78 70.397 32.765 -17.766 1.00 0.00 H new ATOM 0 HB2 ASP A 78 72.800 31.033 -17.067 1.00 0.00 H new ATOM 0 HB3 ASP A 78 71.992 32.116 -15.952 1.00 0.00 H new ATOM 879 N ALA A 79 73.557 33.162 -18.803 1.00 0.00 N ATOM 880 CA ALA A 79 74.613 34.141 -19.053 1.00 0.00 C ATOM 881 C ALA A 79 74.174 35.253 -20.026 1.00 0.00 C ATOM 882 O ALA A 79 74.420 36.427 -19.751 1.00 0.00 O ATOM 883 CB ALA A 79 75.874 33.394 -19.523 1.00 0.00 C ATOM 0 H ALA A 79 73.782 32.226 -19.142 1.00 0.00 H new ATOM 0 HA ALA A 79 74.841 34.666 -18.126 1.00 0.00 H new ATOM 0 HB1 ALA A 79 76.672 34.112 -19.714 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.192 32.695 -18.750 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.652 32.846 -20.439 1.00 0.00 H new ATOM 889 N ARG A 80 73.453 34.918 -21.109 1.00 0.00 N ATOM 890 CA ARG A 80 72.856 35.914 -22.023 1.00 0.00 C ATOM 891 C ARG A 80 71.842 36.809 -21.304 1.00 0.00 C ATOM 892 O ARG A 80 71.910 38.028 -21.442 1.00 0.00 O ATOM 893 CB ARG A 80 72.195 35.219 -23.229 1.00 0.00 C ATOM 894 CG ARG A 80 73.219 34.673 -24.238 1.00 0.00 C ATOM 895 CD ARG A 80 72.544 33.936 -25.407 1.00 0.00 C ATOM 896 NE ARG A 80 71.715 34.847 -26.231 1.00 0.00 N ATOM 897 CZ ARG A 80 70.396 34.926 -26.306 1.00 0.00 C ATOM 898 NH1 ARG A 80 69.604 34.147 -25.628 1.00 0.00 N ATOM 899 NH2 ARG A 80 69.843 35.805 -27.085 1.00 0.00 N ATOM 0 H ARG A 80 73.266 33.952 -21.378 1.00 0.00 H new ATOM 0 HA ARG A 80 73.665 36.550 -22.382 1.00 0.00 H new ATOM 0 HB2 ARG A 80 71.571 34.400 -22.873 1.00 0.00 H new ATOM 0 HB3 ARG A 80 71.536 35.926 -23.733 1.00 0.00 H new ATOM 0 HG2 ARG A 80 73.818 35.496 -24.627 1.00 0.00 H new ATOM 0 HG3 ARG A 80 73.903 33.994 -23.728 1.00 0.00 H new ATOM 0 HD2 ARG A 80 73.307 33.474 -26.033 1.00 0.00 H new ATOM 0 HD3 ARG A 80 71.921 33.131 -25.017 1.00 0.00 H new ATOM 0 HE ARG A 80 72.230 35.501 -26.820 1.00 0.00 H new ATOM 0 HH11 ARG A 80 69.995 33.439 -25.007 1.00 0.00 H new ATOM 0 HH12 ARG A 80 68.593 34.245 -25.718 1.00 0.00 H new ATOM 0 HH21 ARG A 80 70.425 36.434 -27.638 1.00 0.00 H new ATOM 0 HH22 ARG A 80 68.827 35.867 -27.144 1.00 0.00 H new ATOM 913 N VAL A 81 70.950 36.224 -20.499 1.00 0.00 N ATOM 914 CA VAL A 81 69.945 36.959 -19.707 1.00 0.00 C ATOM 915 C VAL A 81 70.610 37.908 -18.717 1.00 0.00 C ATOM 916 O VAL A 81 70.265 39.085 -18.692 1.00 0.00 O ATOM 917 CB VAL A 81 69.002 35.991 -18.967 1.00 0.00 C ATOM 918 CG1 VAL A 81 68.105 36.683 -17.930 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.079 35.309 -19.974 1.00 0.00 C ATOM 0 H VAL A 81 70.901 35.213 -20.374 1.00 0.00 H new ATOM 0 HA VAL A 81 69.351 37.551 -20.404 1.00 0.00 H new ATOM 0 HB VAL A 81 69.647 35.283 -18.447 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.468 35.942 -17.448 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.726 37.171 -17.179 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.483 37.428 -18.426 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.412 34.624 -19.450 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.489 36.063 -20.495 1.00 0.00 H new ATOM 0 HG23 VAL A 81 68.676 34.752 -20.696 1.00 0.00 H new ATOM 929 N LEU A 82 71.579 37.430 -17.934 1.00 0.00 N ATOM 930 CA LEU A 82 72.315 38.267 -16.982 1.00 0.00 C ATOM 931 C LEU A 82 73.059 39.422 -17.666 1.00 0.00 C ATOM 932 O LEU A 82 72.863 40.570 -17.264 1.00 0.00 O ATOM 933 CB LEU A 82 73.269 37.401 -16.145 1.00 0.00 C ATOM 934 CG LEU A 82 72.656 36.988 -14.797 1.00 0.00 C ATOM 935 CD1 LEU A 82 71.380 36.155 -14.911 1.00 0.00 C ATOM 936 CD2 LEU A 82 73.678 36.162 -14.028 1.00 0.00 C ATOM 0 H LEU A 82 71.876 36.454 -17.941 1.00 0.00 H new ATOM 0 HA LEU A 82 71.585 38.729 -16.317 1.00 0.00 H new ATOM 0 HB2 LEU A 82 73.534 36.507 -16.710 1.00 0.00 H new ATOM 0 HB3 LEU A 82 74.193 37.951 -15.967 1.00 0.00 H new ATOM 0 HG LEU A 82 72.390 37.916 -14.291 1.00 0.00 H new ATOM 0 HD11 LEU A 82 71.016 35.908 -13.914 1.00 0.00 H new ATOM 0 HD12 LEU A 82 70.619 36.726 -15.444 1.00 0.00 H new ATOM 0 HD13 LEU A 82 71.593 35.236 -15.457 1.00 0.00 H new ATOM 0 HD21 LEU A 82 73.256 35.862 -13.069 1.00 0.00 H new ATOM 0 HD22 LEU A 82 73.936 35.274 -14.605 1.00 0.00 H new ATOM 0 HD23 LEU A 82 74.575 36.758 -13.859 1.00 0.00 H new ATOM 948 N ILE A 83 73.836 39.154 -18.726 1.00 0.00 N ATOM 949 CA ILE A 83 74.518 40.203 -19.506 1.00 0.00 C ATOM 950 C ILE A 83 73.505 41.246 -19.989 1.00 0.00 C ATOM 951 O ILE A 83 73.681 42.438 -19.727 1.00 0.00 O ATOM 952 CB ILE A 83 75.323 39.588 -20.681 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.587 38.899 -20.115 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.708 40.645 -21.742 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.306 37.988 -21.119 1.00 0.00 C ATOM 0 H ILE A 83 74.010 38.209 -19.067 1.00 0.00 H new ATOM 0 HA ILE A 83 75.236 40.710 -18.861 1.00 0.00 H new ATOM 0 HB ILE A 83 74.692 38.856 -21.185 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.283 39.665 -19.773 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.307 38.310 -19.242 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.270 40.167 -22.544 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.804 41.096 -22.151 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.322 41.418 -21.280 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.181 37.543 -20.645 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.628 37.198 -21.444 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.620 38.574 -21.982 1.00 0.00 H new ATOM 967 N PHE A 84 72.429 40.807 -20.650 1.00 0.00 N ATOM 968 CA PHE A 84 71.438 41.711 -21.221 1.00 0.00 C ATOM 969 C PHE A 84 70.677 42.508 -20.159 1.00 0.00 C ATOM 970 O PHE A 84 70.581 43.721 -20.291 1.00 0.00 O ATOM 971 CB PHE A 84 70.471 40.934 -22.119 1.00 0.00 C ATOM 972 CG PHE A 84 69.641 41.811 -23.039 1.00 0.00 C ATOM 973 CD1 PHE A 84 70.281 42.682 -23.941 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.234 41.731 -23.037 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.537 43.415 -24.875 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.483 42.505 -23.943 1.00 0.00 C ATOM 977 CZ PHE A 84 68.135 43.337 -24.871 1.00 0.00 C ATOM 0 H PHE A 84 72.225 39.819 -20.801 1.00 0.00 H new ATOM 0 HA PHE A 84 71.979 42.442 -21.822 1.00 0.00 H new ATOM 0 HB2 PHE A 84 71.041 40.228 -22.724 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.800 40.347 -21.491 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.356 42.786 -23.913 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.731 41.076 -22.341 1.00 0.00 H new ATOM 0 HE1 PHE A 84 70.041 44.040 -25.597 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.404 42.460 -23.925 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.559 43.914 -25.579 1.00 0.00 H new ATOM 987 N ASN A 85 70.176 41.874 -19.095 1.00 0.00 N ATOM 988 CA ASN A 85 69.401 42.558 -18.057 1.00 0.00 C ATOM 989 C ASN A 85 70.253 43.545 -17.239 1.00 0.00 C ATOM 990 O ASN A 85 69.826 44.679 -17.009 1.00 0.00 O ATOM 991 CB ASN A 85 68.718 41.526 -17.145 1.00 0.00 C ATOM 992 CG ASN A 85 67.881 42.240 -16.093 1.00 0.00 C ATOM 993 OD1 ASN A 85 66.744 42.623 -16.330 1.00 0.00 O ATOM 994 ND2 ASN A 85 68.432 42.496 -14.927 1.00 0.00 N ATOM 0 H ASN A 85 70.296 40.875 -18.929 1.00 0.00 H new ATOM 0 HA ASN A 85 68.636 43.154 -18.556 1.00 0.00 H new ATOM 0 HB2 ASN A 85 68.086 40.865 -17.738 1.00 0.00 H new ATOM 0 HB3 ASN A 85 69.469 40.901 -16.662 1.00 0.00 H new ATOM 0 HD21 ASN A 85 67.911 43.014 -14.220 1.00 0.00 H new ATOM 0 HD22 ASN A 85 69.380 42.176 -14.730 1.00 0.00 H new ATOM 1001 N GLU A 86 71.450 43.136 -16.803 1.00 0.00 N ATOM 1002 CA GLU A 86 72.336 44.025 -16.043 1.00 0.00 C ATOM 1003 C GLU A 86 72.792 45.205 -16.908 1.00 0.00 C ATOM 1004 O GLU A 86 72.700 46.350 -16.454 1.00 0.00 O ATOM 1005 CB GLU A 86 73.540 43.268 -15.463 1.00 0.00 C ATOM 1006 CG GLU A 86 73.125 42.296 -14.350 1.00 0.00 C ATOM 1007 CD GLU A 86 74.357 41.612 -13.723 1.00 0.00 C ATOM 1008 OE1 GLU A 86 75.088 42.275 -12.945 1.00 0.00 O ATOM 1009 OE2 GLU A 86 74.592 40.406 -13.978 1.00 0.00 O ATOM 0 H GLU A 86 71.826 42.201 -16.962 1.00 0.00 H new ATOM 0 HA GLU A 86 71.766 44.418 -15.201 1.00 0.00 H new ATOM 0 HB2 GLU A 86 74.039 42.716 -16.259 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.263 43.983 -15.069 1.00 0.00 H new ATOM 0 HG2 GLU A 86 72.573 42.834 -13.580 1.00 0.00 H new ATOM 0 HG3 GLU A 86 72.452 41.540 -14.755 1.00 0.00 H new ATOM 1016 N TRP A 87 73.189 44.967 -18.168 1.00 0.00 N ATOM 1017 CA TRP A 87 73.452 46.063 -19.091 1.00 0.00 C ATOM 1018 C TRP A 87 72.211 46.930 -19.316 1.00 0.00 C ATOM 1019 O TRP A 87 72.336 48.138 -19.215 1.00 0.00 O ATOM 1020 CB TRP A 87 73.980 45.535 -20.418 1.00 0.00 C ATOM 1021 CG TRP A 87 74.098 46.566 -21.496 1.00 0.00 C ATOM 1022 CD1 TRP A 87 75.085 47.477 -21.651 1.00 0.00 C ATOM 1023 CD2 TRP A 87 73.209 46.745 -22.634 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.861 48.205 -22.805 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.736 47.773 -23.468 1.00 0.00 C ATOM 1026 CE3 TRP A 87 72.062 46.069 -23.091 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 73.193 48.072 -24.725 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.502 46.379 -24.339 1.00 0.00 C ATOM 1029 CH2 TRP A 87 72.057 47.372 -25.162 1.00 0.00 C ATOM 0 H TRP A 87 73.331 44.036 -18.560 1.00 0.00 H new ATOM 0 HA TRP A 87 74.215 46.694 -18.635 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.960 45.088 -20.252 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.321 44.739 -20.765 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.919 47.615 -20.978 1.00 0.00 H new ATOM 0 HE1 TRP A 87 75.457 48.968 -23.125 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.610 45.305 -22.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.642 48.830 -25.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.626 45.843 -24.674 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.615 47.595 -26.122 1.00 0.00 H new ATOM 1040 N GLU A 88 71.020 46.378 -19.553 1.00 0.00 N ATOM 1041 CA GLU A 88 69.795 47.159 -19.767 1.00 0.00 C ATOM 1042 C GLU A 88 69.499 48.125 -18.608 1.00 0.00 C ATOM 1043 O GLU A 88 69.281 49.312 -18.849 1.00 0.00 O ATOM 1044 CB GLU A 88 68.594 46.222 -19.986 1.00 0.00 C ATOM 1045 CG GLU A 88 68.442 45.730 -21.429 1.00 0.00 C ATOM 1046 CD GLU A 88 67.689 46.773 -22.280 1.00 0.00 C ATOM 1047 OE1 GLU A 88 68.317 47.756 -22.742 1.00 0.00 O ATOM 1048 OE2 GLU A 88 66.456 46.615 -22.468 1.00 0.00 O ATOM 0 H GLU A 88 70.875 45.370 -19.603 1.00 0.00 H new ATOM 0 HA GLU A 88 69.958 47.763 -20.660 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.695 45.359 -19.328 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.682 46.742 -19.692 1.00 0.00 H new ATOM 0 HG2 GLU A 88 69.425 45.542 -21.860 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.902 44.783 -21.442 1.00 0.00 H new ATOM 1055 N GLU A 89 69.529 47.670 -17.350 1.00 0.00 N ATOM 1056 CA GLU A 89 69.291 48.549 -16.194 1.00 0.00 C ATOM 1057 C GLU A 89 70.397 49.615 -16.043 1.00 0.00 C ATOM 1058 O GLU A 89 70.122 50.829 -16.027 1.00 0.00 O ATOM 1059 CB GLU A 89 69.156 47.716 -14.906 1.00 0.00 C ATOM 1060 CG GLU A 89 67.877 46.864 -14.894 1.00 0.00 C ATOM 1061 CD GLU A 89 67.697 46.115 -13.556 1.00 0.00 C ATOM 1062 OE1 GLU A 89 67.497 46.780 -12.508 1.00 0.00 O ATOM 1063 OE2 GLU A 89 67.721 44.859 -13.538 1.00 0.00 O ATOM 0 H GLU A 89 69.716 46.698 -17.104 1.00 0.00 H new ATOM 0 HA GLU A 89 68.355 49.079 -16.370 1.00 0.00 H new ATOM 0 HB2 GLU A 89 70.024 47.065 -14.804 1.00 0.00 H new ATOM 0 HB3 GLU A 89 69.154 48.382 -14.043 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.013 47.504 -15.071 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.913 46.144 -15.711 1.00 0.00 H new ATOM 1070 N ARG A 90 71.663 49.165 -15.995 1.00 0.00 N ATOM 1071 CA ARG A 90 72.816 50.067 -15.850 1.00 0.00 C ATOM 1072 C ARG A 90 72.862 51.079 -16.981 1.00 0.00 C ATOM 1073 O ARG A 90 72.987 52.262 -16.734 1.00 0.00 O ATOM 1074 CB ARG A 90 74.132 49.285 -15.840 1.00 0.00 C ATOM 1075 CG ARG A 90 74.305 48.405 -14.604 1.00 0.00 C ATOM 1076 CD ARG A 90 74.433 49.168 -13.276 1.00 0.00 C ATOM 1077 NE ARG A 90 75.538 50.149 -13.296 1.00 0.00 N ATOM 1078 CZ ARG A 90 76.441 50.394 -12.366 1.00 0.00 C ATOM 1079 NH1 ARG A 90 76.490 49.763 -11.226 1.00 0.00 N ATOM 1080 NH2 ARG A 90 77.320 51.319 -12.602 1.00 0.00 N ATOM 0 H ARG A 90 71.913 48.178 -16.055 1.00 0.00 H new ATOM 0 HA ARG A 90 72.695 50.587 -14.899 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.181 48.660 -16.732 1.00 0.00 H new ATOM 0 HB3 ARG A 90 74.964 49.987 -15.896 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.453 47.728 -14.536 1.00 0.00 H new ATOM 0 HG3 ARG A 90 75.193 47.787 -14.738 1.00 0.00 H new ATOM 0 HD2 ARG A 90 73.496 49.684 -13.064 1.00 0.00 H new ATOM 0 HD3 ARG A 90 74.596 48.457 -12.466 1.00 0.00 H new ATOM 0 HE ARG A 90 75.613 50.713 -14.143 1.00 0.00 H new ATOM 0 HH11 ARG A 90 75.806 49.036 -11.016 1.00 0.00 H new ATOM 0 HH12 ARG A 90 77.212 49.996 -10.545 1.00 0.00 H new ATOM 0 HH21 ARG A 90 77.298 51.830 -13.484 1.00 0.00 H new ATOM 0 HH22 ARG A 90 78.033 51.535 -11.905 1.00 0.00 H new ATOM 1094 N LYS A 91 72.701 50.632 -18.220 1.00 0.00 N ATOM 1095 CA LYS A 91 72.696 51.489 -19.418 1.00 0.00 C ATOM 1096 C LYS A 91 71.487 52.426 -19.484 1.00 0.00 C ATOM 1097 O LYS A 91 71.639 53.545 -19.966 1.00 0.00 O ATOM 1098 CB LYS A 91 72.819 50.636 -20.694 1.00 0.00 C ATOM 1099 CG LYS A 91 73.157 51.419 -21.976 1.00 0.00 C ATOM 1100 CD LYS A 91 71.946 51.624 -22.898 1.00 0.00 C ATOM 1101 CE LYS A 91 72.414 52.269 -24.209 1.00 0.00 C ATOM 1102 NZ LYS A 91 71.321 52.326 -25.219 1.00 0.00 N ATOM 0 H LYS A 91 72.567 49.644 -18.434 1.00 0.00 H new ATOM 0 HA LYS A 91 73.570 52.137 -19.346 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.589 49.881 -20.535 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.880 50.105 -20.849 1.00 0.00 H new ATOM 0 HG2 LYS A 91 73.566 52.392 -21.703 1.00 0.00 H new ATOM 0 HG3 LYS A 91 73.936 50.888 -22.523 1.00 0.00 H new ATOM 0 HD2 LYS A 91 71.463 50.668 -23.101 1.00 0.00 H new ATOM 0 HD3 LYS A 91 71.206 52.258 -22.410 1.00 0.00 H new ATOM 0 HE2 LYS A 91 72.777 53.277 -24.009 1.00 0.00 H new ATOM 0 HE3 LYS A 91 73.253 51.703 -24.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 71.694 52.706 -26.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 70.946 51.369 -25.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 70.559 52.943 -24.872 1.00 0.00 H new ATOM 1116 N LYS A 92 70.316 52.054 -18.949 1.00 0.00 N ATOM 1117 CA LYS A 92 69.207 53.012 -18.770 1.00 0.00 C ATOM 1118 C LYS A 92 69.530 54.100 -17.733 1.00 0.00 C ATOM 1119 O LYS A 92 69.025 55.213 -17.889 1.00 0.00 O ATOM 1120 CB LYS A 92 67.878 52.292 -18.479 1.00 0.00 C ATOM 1121 CG LYS A 92 67.290 51.690 -19.770 1.00 0.00 C ATOM 1122 CD LYS A 92 66.018 50.850 -19.565 1.00 0.00 C ATOM 1123 CE LYS A 92 64.755 51.685 -19.279 1.00 0.00 C ATOM 1124 NZ LYS A 92 64.439 51.808 -17.824 1.00 0.00 N ATOM 0 H LYS A 92 70.109 51.106 -18.634 1.00 0.00 H new ATOM 0 HA LYS A 92 69.082 53.534 -19.718 1.00 0.00 H new ATOM 0 HB2 LYS A 92 68.040 51.503 -17.745 1.00 0.00 H new ATOM 0 HB3 LYS A 92 67.167 52.993 -18.042 1.00 0.00 H new ATOM 0 HG2 LYS A 92 67.066 52.500 -20.464 1.00 0.00 H new ATOM 0 HG3 LYS A 92 68.049 51.066 -20.243 1.00 0.00 H new ATOM 0 HD2 LYS A 92 65.847 50.245 -20.455 1.00 0.00 H new ATOM 0 HD3 LYS A 92 66.180 50.160 -18.737 1.00 0.00 H new ATOM 0 HE2 LYS A 92 64.885 52.682 -19.700 1.00 0.00 H new ATOM 0 HE3 LYS A 92 63.906 51.232 -19.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 63.579 52.381 -17.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 64.284 50.862 -17.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 65.233 52.267 -17.334 1.00 0.00 H new ATOM 1138 N SER A 93 70.410 53.847 -16.751 1.00 0.00 N ATOM 1139 CA SER A 93 71.035 54.937 -15.958 1.00 0.00 C ATOM 1140 C SER A 93 72.383 55.492 -16.498 1.00 0.00 C ATOM 1141 O SER A 93 72.842 56.537 -16.031 1.00 0.00 O ATOM 1142 CB SER A 93 71.098 54.582 -14.464 1.00 0.00 C ATOM 1143 OG SER A 93 71.849 53.409 -14.197 1.00 0.00 O ATOM 0 H SER A 93 70.708 52.909 -16.483 1.00 0.00 H new ATOM 0 HA SER A 93 70.358 55.781 -16.084 1.00 0.00 H new ATOM 0 HB2 SER A 93 71.536 55.417 -13.917 1.00 0.00 H new ATOM 0 HB3 SER A 93 70.084 54.450 -14.086 1.00 0.00 H new ATOM 0 HG SER A 93 72.221 53.061 -15.034 1.00 0.00 H new ATOM 1149 N GLU A 94 72.994 54.859 -17.507 1.00 0.00 N ATOM 1150 CA GLU A 94 74.343 55.128 -18.049 1.00 0.00 C ATOM 1151 C GLU A 94 74.389 54.914 -19.585 1.00 0.00 C ATOM 1152 O GLU A 94 74.957 53.921 -20.054 1.00 0.00 O ATOM 1153 CB GLU A 94 75.403 54.217 -17.378 1.00 0.00 C ATOM 1154 CG GLU A 94 75.460 54.316 -15.854 1.00 0.00 C ATOM 1155 CD GLU A 94 76.608 53.459 -15.288 1.00 0.00 C ATOM 1156 OE1 GLU A 94 76.410 52.245 -15.036 1.00 0.00 O ATOM 1157 OE2 GLU A 94 77.716 53.997 -15.040 1.00 0.00 O ATOM 0 H GLU A 94 72.534 54.095 -18.003 1.00 0.00 H new ATOM 0 HA GLU A 94 74.572 56.171 -17.830 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.199 53.182 -17.654 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.384 54.467 -17.781 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.598 55.356 -15.558 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.512 53.987 -15.429 1.00 0.00 H new ATOM 1164 N PRO A 95 73.794 55.801 -20.410 1.00 0.00 N ATOM 1165 CA PRO A 95 73.530 55.545 -21.838 1.00 0.00 C ATOM 1166 C PRO A 95 74.763 55.281 -22.733 1.00 0.00 C ATOM 1167 O PRO A 95 74.609 54.886 -23.890 1.00 0.00 O ATOM 1168 CB PRO A 95 72.699 56.744 -22.322 1.00 0.00 C ATOM 1169 CG PRO A 95 72.982 57.839 -21.293 1.00 0.00 C ATOM 1170 CD PRO A 95 73.161 57.044 -20.003 1.00 0.00 C ATOM 0 HA PRO A 95 73.002 54.596 -21.929 1.00 0.00 H new ATOM 0 HB2 PRO A 95 72.994 57.054 -23.324 1.00 0.00 H new ATOM 0 HB3 PRO A 95 71.637 56.501 -22.363 1.00 0.00 H new ATOM 0 HG2 PRO A 95 73.875 58.411 -21.544 1.00 0.00 H new ATOM 0 HG3 PRO A 95 72.159 58.550 -21.220 1.00 0.00 H new ATOM 0 HD2 PRO A 95 73.780 57.586 -19.288 1.00 0.00 H new ATOM 0 HD3 PRO A 95 72.203 56.858 -19.518 1.00 0.00 H new ATOM 1178 N TRP A 96 75.979 55.455 -22.207 1.00 0.00 N ATOM 1179 CA TRP A 96 77.262 55.150 -22.853 1.00 0.00 C ATOM 1180 C TRP A 96 77.724 53.679 -22.729 1.00 0.00 C ATOM 1181 O TRP A 96 78.701 53.301 -23.382 1.00 0.00 O ATOM 1182 CB TRP A 96 78.310 56.100 -22.250 1.00 0.00 C ATOM 1183 CG TRP A 96 78.394 56.085 -20.749 1.00 0.00 C ATOM 1184 CD1 TRP A 96 79.134 55.231 -20.007 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.689 56.936 -19.791 1.00 0.00 C ATOM 1186 NE1 TRP A 96 78.945 55.497 -18.663 1.00 0.00 N ATOM 1187 CE2 TRP A 96 78.059 56.536 -18.471 1.00 0.00 C ATOM 1188 CE3 TRP A 96 76.763 57.998 -19.903 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.539 57.153 -17.324 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 76.238 58.627 -18.757 1.00 0.00 C ATOM 1191 CH2 TRP A 96 76.620 58.205 -17.470 1.00 0.00 C ATOM 0 H TRP A 96 76.103 55.833 -21.268 1.00 0.00 H new ATOM 0 HA TRP A 96 77.137 55.298 -23.926 1.00 0.00 H new ATOM 0 HB2 TRP A 96 79.288 55.842 -22.656 1.00 0.00 H new ATOM 0 HB3 TRP A 96 78.087 57.116 -22.576 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.776 54.458 -20.404 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.404 54.988 -17.908 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.453 58.332 -20.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 77.841 56.823 -16.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 75.536 59.440 -18.867 1.00 0.00 H new ATOM 0 HH2 TRP A 96 76.208 58.689 -16.597 1.00 0.00 H new ATOM 1202 N LEU A 97 77.078 52.847 -21.895 1.00 0.00 N ATOM 1203 CA LEU A 97 77.558 51.510 -21.536 1.00 0.00 C ATOM 1204 C LEU A 97 77.603 50.527 -22.723 1.00 0.00 C ATOM 1205 O LEU A 97 76.650 50.424 -23.500 1.00 0.00 O ATOM 1206 CB LEU A 97 76.661 50.962 -20.412 1.00 0.00 C ATOM 1207 CG LEU A 97 77.268 49.798 -19.625 1.00 0.00 C ATOM 1208 CD1 LEU A 97 78.513 50.188 -18.825 1.00 0.00 C ATOM 1209 CD2 LEU A 97 76.233 49.264 -18.636 1.00 0.00 C ATOM 0 H LEU A 97 76.195 53.092 -21.447 1.00 0.00 H new ATOM 0 HA LEU A 97 78.591 51.605 -21.202 1.00 0.00 H new ATOM 0 HB2 LEU A 97 76.433 51.772 -19.719 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.715 50.637 -20.845 1.00 0.00 H new ATOM 0 HG LEU A 97 77.561 49.050 -20.362 1.00 0.00 H new ATOM 0 HD11 LEU A 97 78.891 49.316 -18.292 1.00 0.00 H new ATOM 0 HD12 LEU A 97 79.281 50.559 -19.504 1.00 0.00 H new ATOM 0 HD13 LEU A 97 78.255 50.968 -18.108 1.00 0.00 H new ATOM 0 HD21 LEU A 97 76.661 48.435 -18.073 1.00 0.00 H new ATOM 0 HD22 LEU A 97 75.944 50.058 -17.948 1.00 0.00 H new ATOM 0 HD23 LEU A 97 75.354 48.918 -19.180 1.00 0.00 H new ATOM 1221 N ARG A 98 78.686 49.746 -22.819 1.00 0.00 N ATOM 1222 CA ARG A 98 78.916 48.760 -23.894 1.00 0.00 C ATOM 1223 C ARG A 98 78.361 47.367 -23.553 1.00 0.00 C ATOM 1224 O ARG A 98 78.194 47.021 -22.384 1.00 0.00 O ATOM 1225 CB ARG A 98 80.414 48.705 -24.249 1.00 0.00 C ATOM 1226 CG ARG A 98 81.082 50.071 -24.505 1.00 0.00 C ATOM 1227 CD ARG A 98 80.385 50.911 -25.585 1.00 0.00 C ATOM 1228 NE ARG A 98 81.008 52.244 -25.708 1.00 0.00 N ATOM 1229 CZ ARG A 98 82.040 52.592 -26.459 1.00 0.00 C ATOM 1230 NH1 ARG A 98 82.667 51.741 -27.224 1.00 0.00 N ATOM 1231 NH2 ARG A 98 82.468 53.822 -26.455 1.00 0.00 N ATOM 0 H ARG A 98 79.446 49.779 -22.139 1.00 0.00 H new ATOM 0 HA ARG A 98 78.361 49.094 -24.770 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.944 48.206 -23.438 1.00 0.00 H new ATOM 0 HB3 ARG A 98 80.537 48.087 -25.138 1.00 0.00 H new ATOM 0 HG2 ARG A 98 81.099 50.637 -23.573 1.00 0.00 H new ATOM 0 HG3 ARG A 98 82.119 49.908 -24.798 1.00 0.00 H new ATOM 0 HD2 ARG A 98 80.437 50.393 -26.542 1.00 0.00 H new ATOM 0 HD3 ARG A 98 79.329 51.021 -25.339 1.00 0.00 H new ATOM 0 HE ARG A 98 80.592 52.987 -25.146 1.00 0.00 H new ATOM 0 HH11 ARG A 98 82.365 50.767 -27.258 1.00 0.00 H new ATOM 0 HH12 ARG A 98 83.459 52.050 -27.788 1.00 0.00 H new ATOM 0 HH21 ARG A 98 82.007 54.520 -25.872 1.00 0.00 H new ATOM 0 HH22 ARG A 98 83.264 54.087 -27.035 1.00 0.00 H new ATOM 1245 N LEU A 99 78.085 46.583 -24.596 1.00 0.00 N ATOM 1246 CA LEU A 99 77.397 45.287 -24.569 1.00 0.00 C ATOM 1247 C LEU A 99 78.119 44.309 -25.513 1.00 0.00 C ATOM 1248 O LEU A 99 78.401 44.657 -26.663 1.00 0.00 O ATOM 1249 CB LEU A 99 75.944 45.569 -24.999 1.00 0.00 C ATOM 1250 CG LEU A 99 74.879 44.457 -24.998 1.00 0.00 C ATOM 1251 CD1 LEU A 99 75.086 43.512 -26.183 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.784 43.702 -23.674 1.00 0.00 C ATOM 0 H LEU A 99 78.352 46.851 -25.543 1.00 0.00 H new ATOM 0 HA LEU A 99 77.402 44.821 -23.584 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.571 46.366 -24.356 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.984 45.969 -26.012 1.00 0.00 H new ATOM 0 HG LEU A 99 73.913 44.949 -25.114 1.00 0.00 H new ATOM 0 HD11 LEU A 99 74.324 42.733 -26.165 1.00 0.00 H new ATOM 0 HD12 LEU A 99 75.009 44.074 -27.114 1.00 0.00 H new ATOM 0 HD13 LEU A 99 76.073 43.055 -26.116 1.00 0.00 H new ATOM 0 HD21 LEU A 99 74.014 42.934 -23.747 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.743 43.234 -23.453 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.527 44.398 -22.876 1.00 0.00 H new ATOM 1264 N ASP A 100 78.408 43.090 -25.048 1.00 0.00 N ATOM 1265 CA ASP A 100 79.016 42.028 -25.865 1.00 0.00 C ATOM 1266 C ASP A 100 78.419 40.653 -25.517 1.00 0.00 C ATOM 1267 O ASP A 100 78.321 40.288 -24.344 1.00 0.00 O ATOM 1268 CB ASP A 100 80.546 42.049 -25.691 1.00 0.00 C ATOM 1269 CG ASP A 100 81.311 41.176 -26.710 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.680 40.480 -27.541 1.00 0.00 O ATOM 1271 OD2 ASP A 100 82.566 41.204 -26.681 1.00 0.00 O ATOM 0 H ASP A 100 78.226 42.807 -24.085 1.00 0.00 H new ATOM 0 HA ASP A 100 78.790 42.214 -26.915 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.896 43.078 -25.776 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.791 41.711 -24.684 1.00 0.00 H new ATOM 1276 N MET A 101 78.007 39.902 -26.544 1.00 0.00 N ATOM 1277 CA MET A 101 77.403 38.564 -26.445 1.00 0.00 C ATOM 1278 C MET A 101 78.179 37.495 -27.246 1.00 0.00 C ATOM 1279 O MET A 101 77.705 36.365 -27.390 1.00 0.00 O ATOM 1280 CB MET A 101 75.923 38.649 -26.862 1.00 0.00 C ATOM 1281 CG MET A 101 75.102 39.539 -25.920 1.00 0.00 C ATOM 1282 SD MET A 101 73.374 39.732 -26.423 1.00 0.00 S ATOM 1283 CE MET A 101 72.768 40.773 -25.068 1.00 0.00 C ATOM 0 H MET A 101 78.088 40.221 -27.509 1.00 0.00 H new ATOM 0 HA MET A 101 77.461 38.234 -25.408 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.856 39.040 -27.877 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.494 37.647 -26.877 1.00 0.00 H new ATOM 0 HG2 MET A 101 75.134 39.116 -24.916 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.568 40.523 -25.867 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.844 40.352 -24.671 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.517 40.814 -24.277 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.578 41.780 -25.440 1.00 0.00 H new ATOM 1293 N SER A 102 79.370 37.828 -27.763 1.00 0.00 N ATOM 1294 CA SER A 102 80.284 36.872 -28.408 1.00 0.00 C ATOM 1295 C SER A 102 80.792 35.819 -27.412 1.00 0.00 C ATOM 1296 O SER A 102 80.893 36.087 -26.213 1.00 0.00 O ATOM 1297 CB SER A 102 81.464 37.627 -29.032 1.00 0.00 C ATOM 1298 OG SER A 102 82.299 36.738 -29.762 1.00 0.00 O ATOM 0 H SER A 102 79.731 38.782 -27.745 1.00 0.00 H new ATOM 0 HA SER A 102 79.734 36.348 -29.189 1.00 0.00 H new ATOM 0 HB2 SER A 102 81.093 38.410 -29.693 1.00 0.00 H new ATOM 0 HB3 SER A 102 82.043 38.118 -28.250 1.00 0.00 H new ATOM 0 HG SER A 102 83.045 37.238 -30.154 1.00 0.00 H new ATOM 1304 N ASP A 103 81.162 34.630 -27.895 1.00 0.00 N ATOM 1305 CA ASP A 103 81.659 33.517 -27.067 1.00 0.00 C ATOM 1306 C ASP A 103 82.803 33.937 -26.129 1.00 0.00 C ATOM 1307 O ASP A 103 82.814 33.554 -24.959 1.00 0.00 O ATOM 1308 CB ASP A 103 82.131 32.379 -27.981 1.00 0.00 C ATOM 1309 CG ASP A 103 80.958 31.689 -28.689 1.00 0.00 C ATOM 1310 OD1 ASP A 103 80.305 30.829 -28.050 1.00 0.00 O ATOM 1311 OD2 ASP A 103 80.685 32.004 -29.872 1.00 0.00 O ATOM 0 H ASP A 103 81.126 34.405 -28.889 1.00 0.00 H new ATOM 0 HA ASP A 103 80.835 33.186 -26.435 1.00 0.00 H new ATOM 0 HB2 ASP A 103 82.822 32.774 -28.725 1.00 0.00 H new ATOM 0 HB3 ASP A 103 82.682 31.645 -27.392 1.00 0.00 H new ATOM 1316 N LYS A 104 83.708 34.810 -26.602 1.00 0.00 N ATOM 1317 CA LYS A 104 84.825 35.362 -25.817 1.00 0.00 C ATOM 1318 C LYS A 104 84.360 36.115 -24.565 1.00 0.00 C ATOM 1319 O LYS A 104 84.962 35.950 -23.506 1.00 0.00 O ATOM 1320 CB LYS A 104 85.683 36.275 -26.712 1.00 0.00 C ATOM 1321 CG LYS A 104 86.388 35.501 -27.839 1.00 0.00 C ATOM 1322 CD LYS A 104 87.257 36.443 -28.687 1.00 0.00 C ATOM 1323 CE LYS A 104 87.911 35.741 -29.888 1.00 0.00 C ATOM 1324 NZ LYS A 104 88.991 34.792 -29.488 1.00 0.00 N ATOM 0 H LYS A 104 83.683 35.159 -27.560 1.00 0.00 H new ATOM 0 HA LYS A 104 85.423 34.522 -25.464 1.00 0.00 H new ATOM 0 HB2 LYS A 104 85.051 37.049 -27.147 1.00 0.00 H new ATOM 0 HB3 LYS A 104 86.430 36.780 -26.100 1.00 0.00 H new ATOM 0 HG2 LYS A 104 87.008 34.713 -27.412 1.00 0.00 H new ATOM 0 HG3 LYS A 104 85.646 35.015 -28.472 1.00 0.00 H new ATOM 0 HD2 LYS A 104 86.643 37.269 -29.046 1.00 0.00 H new ATOM 0 HD3 LYS A 104 88.035 36.875 -28.058 1.00 0.00 H new ATOM 0 HE2 LYS A 104 87.147 35.200 -30.446 1.00 0.00 H new ATOM 0 HE3 LYS A 104 88.325 36.492 -30.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 89.395 34.348 -30.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 89.736 35.309 -28.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 88.595 34.056 -28.869 1.00 0.00 H new ATOM 1338 N ALA A 105 83.262 36.875 -24.650 1.00 0.00 N ATOM 1339 CA ALA A 105 82.673 37.568 -23.500 1.00 0.00 C ATOM 1340 C ALA A 105 82.206 36.579 -22.425 1.00 0.00 C ATOM 1341 O ALA A 105 82.477 36.767 -21.239 1.00 0.00 O ATOM 1342 CB ALA A 105 81.535 38.481 -23.982 1.00 0.00 C ATOM 0 H ALA A 105 82.756 37.027 -25.522 1.00 0.00 H new ATOM 0 HA ALA A 105 83.436 38.188 -23.029 1.00 0.00 H new ATOM 0 HB1 ALA A 105 81.096 38.997 -23.128 1.00 0.00 H new ATOM 0 HB2 ALA A 105 81.930 39.214 -24.685 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.771 37.880 -24.475 1.00 0.00 H new ATOM 1348 N ILE A 106 81.574 35.482 -22.848 1.00 0.00 N ATOM 1349 CA ILE A 106 81.048 34.451 -21.950 1.00 0.00 C ATOM 1350 C ILE A 106 82.203 33.667 -21.324 1.00 0.00 C ATOM 1351 O ILE A 106 82.241 33.539 -20.107 1.00 0.00 O ATOM 1352 CB ILE A 106 80.013 33.578 -22.694 1.00 0.00 C ATOM 1353 CG1 ILE A 106 78.645 34.290 -22.793 1.00 0.00 C ATOM 1354 CG2 ILE A 106 79.772 32.228 -21.993 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.629 35.662 -23.483 1.00 0.00 C ATOM 0 H ILE A 106 81.411 35.282 -23.835 1.00 0.00 H new ATOM 0 HA ILE A 106 80.509 34.905 -21.118 1.00 0.00 H new ATOM 0 HB ILE A 106 80.435 33.409 -23.685 1.00 0.00 H new ATOM 0 HG12 ILE A 106 77.958 33.633 -23.326 1.00 0.00 H new ATOM 0 HG13 ILE A 106 78.251 34.412 -21.784 1.00 0.00 H new ATOM 0 HG21 ILE A 106 79.037 31.652 -22.555 1.00 0.00 H new ATOM 0 HG22 ILE A 106 80.708 31.672 -21.943 1.00 0.00 H new ATOM 0 HG23 ILE A 106 79.400 32.403 -20.983 1.00 0.00 H new ATOM 0 HD11 ILE A 106 77.612 36.055 -23.488 1.00 0.00 H new ATOM 0 HD12 ILE A 106 79.281 36.349 -22.943 1.00 0.00 H new ATOM 0 HD13 ILE A 106 78.982 35.558 -24.509 1.00 0.00 H new ATOM 1367 N PHE A 107 83.190 33.232 -22.113 1.00 0.00 N ATOM 1368 CA PHE A 107 84.390 32.557 -21.595 1.00 0.00 C ATOM 1369 C PHE A 107 85.124 33.390 -20.534 1.00 0.00 C ATOM 1370 O PHE A 107 85.512 32.870 -19.487 1.00 0.00 O ATOM 1371 CB PHE A 107 85.388 32.291 -22.732 1.00 0.00 C ATOM 1372 CG PHE A 107 84.945 31.454 -23.913 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.915 30.496 -23.814 1.00 0.00 C ATOM 1374 CD2 PHE A 107 85.632 31.621 -25.130 1.00 0.00 C ATOM 1375 CE1 PHE A 107 83.592 29.698 -24.927 1.00 0.00 C ATOM 1376 CE2 PHE A 107 85.305 30.826 -26.242 1.00 0.00 C ATOM 1377 CZ PHE A 107 84.292 29.857 -26.137 1.00 0.00 C ATOM 0 H PHE A 107 83.182 33.336 -23.128 1.00 0.00 H new ATOM 0 HA PHE A 107 84.040 31.628 -21.145 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.714 33.257 -23.117 1.00 0.00 H new ATOM 0 HB3 PHE A 107 86.263 31.809 -22.296 1.00 0.00 H new ATOM 0 HD1 PHE A 107 83.375 30.375 -22.886 1.00 0.00 H new ATOM 0 HD2 PHE A 107 86.413 32.363 -25.210 1.00 0.00 H new ATOM 0 HE1 PHE A 107 82.805 28.962 -24.852 1.00 0.00 H new ATOM 0 HE2 PHE A 107 85.831 30.959 -27.176 1.00 0.00 H new ATOM 0 HZ PHE A 107 84.051 29.234 -26.986 1.00 0.00 H new ATOM 1387 N ARG A 108 85.331 34.687 -20.807 1.00 0.00 N ATOM 1388 CA ARG A 108 86.155 35.573 -19.984 1.00 0.00 C ATOM 1389 C ARG A 108 85.435 36.052 -18.715 1.00 0.00 C ATOM 1390 O ARG A 108 86.065 36.167 -17.666 1.00 0.00 O ATOM 1391 CB ARG A 108 86.637 36.709 -20.901 1.00 0.00 C ATOM 1392 CG ARG A 108 87.870 37.439 -20.349 1.00 0.00 C ATOM 1393 CD ARG A 108 87.675 38.954 -20.195 1.00 0.00 C ATOM 1394 NE ARG A 108 86.723 39.295 -19.115 1.00 0.00 N ATOM 1395 CZ ARG A 108 86.977 39.376 -17.817 1.00 0.00 C ATOM 1396 NH1 ARG A 108 88.147 39.088 -17.316 1.00 0.00 N ATOM 1397 NH2 ARG A 108 86.050 39.759 -16.986 1.00 0.00 N ATOM 0 H ARG A 108 84.923 35.152 -21.618 1.00 0.00 H new ATOM 0 HA ARG A 108 87.017 35.039 -19.585 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.872 36.301 -21.884 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.828 37.426 -21.039 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.128 37.015 -19.379 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.716 37.256 -21.012 1.00 0.00 H new ATOM 0 HD2 ARG A 108 88.637 39.422 -19.988 1.00 0.00 H new ATOM 0 HD3 ARG A 108 87.315 39.369 -21.137 1.00 0.00 H new ATOM 0 HE ARG A 108 85.764 39.490 -19.402 1.00 0.00 H new ATOM 0 HH11 ARG A 108 88.905 38.788 -17.930 1.00 0.00 H new ATOM 0 HH12 ARG A 108 88.304 39.163 -16.311 1.00 0.00 H new ATOM 0 HH21 ARG A 108 85.121 39.999 -17.333 1.00 0.00 H new ATOM 0 HH22 ARG A 108 86.253 39.819 -15.988 1.00 0.00 H new ATOM 1411 N ARG A 109 84.114 36.280 -18.788 1.00 0.00 N ATOM 1412 CA ARG A 109 83.264 36.651 -17.635 1.00 0.00 C ATOM 1413 C ARG A 109 82.856 35.439 -16.779 1.00 0.00 C ATOM 1414 O ARG A 109 82.815 35.541 -15.554 1.00 0.00 O ATOM 1415 CB ARG A 109 82.042 37.425 -18.165 1.00 0.00 C ATOM 1416 CG ARG A 109 81.225 38.097 -17.051 1.00 0.00 C ATOM 1417 CD ARG A 109 80.056 38.917 -17.615 1.00 0.00 C ATOM 1418 NE ARG A 109 80.521 40.090 -18.387 1.00 0.00 N ATOM 1419 CZ ARG A 109 80.857 41.283 -17.919 1.00 0.00 C ATOM 1420 NH1 ARG A 109 80.814 41.569 -16.649 1.00 0.00 N ATOM 1421 NH2 ARG A 109 81.255 42.219 -18.731 1.00 0.00 N ATOM 0 H ARG A 109 83.594 36.212 -19.663 1.00 0.00 H new ATOM 0 HA ARG A 109 83.839 37.287 -16.962 1.00 0.00 H new ATOM 0 HB2 ARG A 109 82.379 38.185 -18.870 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.398 36.741 -18.718 1.00 0.00 H new ATOM 0 HG2 ARG A 109 80.840 37.335 -16.373 1.00 0.00 H new ATOM 0 HG3 ARG A 109 81.875 38.747 -16.465 1.00 0.00 H new ATOM 0 HD2 ARG A 109 79.444 38.282 -18.255 1.00 0.00 H new ATOM 0 HD3 ARG A 109 79.420 39.252 -16.796 1.00 0.00 H new ATOM 0 HE ARG A 109 80.591 39.966 -19.397 1.00 0.00 H new ATOM 0 HH11 ARG A 109 80.514 40.863 -15.977 1.00 0.00 H new ATOM 0 HH12 ARG A 109 81.081 42.499 -16.326 1.00 0.00 H new ATOM 0 HH21 ARG A 109 81.309 42.036 -19.733 1.00 0.00 H new ATOM 0 HH22 ARG A 109 81.513 43.136 -18.365 1.00 0.00 H new ATOM 1435 N TYR A 110 82.591 34.301 -17.422 1.00 0.00 N ATOM 1436 CA TYR A 110 82.056 33.068 -16.832 1.00 0.00 C ATOM 1437 C TYR A 110 82.911 31.845 -17.240 1.00 0.00 C ATOM 1438 O TYR A 110 82.512 31.065 -18.110 1.00 0.00 O ATOM 1439 CB TYR A 110 80.581 32.915 -17.252 1.00 0.00 C ATOM 1440 CG TYR A 110 79.682 34.102 -16.958 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.582 34.619 -15.651 1.00 0.00 C ATOM 1442 CD2 TYR A 110 78.944 34.688 -18.004 1.00 0.00 C ATOM 1443 CE1 TYR A 110 78.765 35.741 -15.400 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.107 35.792 -17.749 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.018 36.325 -16.447 1.00 0.00 C ATOM 1446 OH TYR A 110 77.213 37.399 -16.217 1.00 0.00 O ATOM 0 H TYR A 110 82.752 34.207 -18.425 1.00 0.00 H new ATOM 0 HA TYR A 110 82.102 33.126 -15.745 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.547 32.715 -18.323 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.169 32.039 -16.751 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.130 34.157 -14.843 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.020 34.290 -19.005 1.00 0.00 H new ATOM 0 HE1 TYR A 110 78.710 36.155 -14.404 1.00 0.00 H new ATOM 0 HE2 TYR A 110 77.533 36.231 -18.552 1.00 0.00 H new ATOM 0 HH TYR A 110 76.778 37.667 -17.053 1.00 0.00 H new ATOM 1456 N PRO A 111 84.096 31.641 -16.629 1.00 0.00 N ATOM 1457 CA PRO A 111 85.050 30.605 -17.052 1.00 0.00 C ATOM 1458 C PRO A 111 84.543 29.164 -16.866 1.00 0.00 C ATOM 1459 O PRO A 111 85.060 28.245 -17.503 1.00 0.00 O ATOM 1460 CB PRO A 111 86.326 30.880 -16.248 1.00 0.00 C ATOM 1461 CG PRO A 111 85.820 31.593 -14.996 1.00 0.00 C ATOM 1462 CD PRO A 111 84.654 32.421 -15.532 1.00 0.00 C ATOM 0 HA PRO A 111 85.218 30.665 -18.127 1.00 0.00 H new ATOM 0 HB2 PRO A 111 86.849 29.957 -15.999 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.025 31.501 -16.807 1.00 0.00 H new ATOM 0 HG2 PRO A 111 85.498 30.888 -14.230 1.00 0.00 H new ATOM 0 HG3 PRO A 111 86.590 32.220 -14.548 1.00 0.00 H new ATOM 0 HD2 PRO A 111 83.908 32.597 -14.757 1.00 0.00 H new ATOM 0 HD3 PRO A 111 84.992 33.398 -15.877 1.00 0.00 H new ATOM 1470 N HIS A 112 83.507 28.952 -16.045 1.00 0.00 N ATOM 1471 CA HIS A 112 82.828 27.657 -15.893 1.00 0.00 C ATOM 1472 C HIS A 112 81.925 27.297 -17.090 1.00 0.00 C ATOM 1473 O HIS A 112 81.668 26.116 -17.333 1.00 0.00 O ATOM 1474 CB HIS A 112 82.017 27.685 -14.591 1.00 0.00 C ATOM 1475 CG HIS A 112 80.745 28.494 -14.671 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.629 29.823 -15.104 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.501 28.007 -14.398 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.314 30.103 -15.057 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.627 29.042 -14.619 1.00 0.00 N ATOM 0 H HIS A 112 83.110 29.686 -15.458 1.00 0.00 H new ATOM 0 HA HIS A 112 83.590 26.879 -15.857 1.00 0.00 H new ATOM 0 HB2 HIS A 112 81.767 26.662 -14.310 1.00 0.00 H new ATOM 0 HB3 HIS A 112 82.642 28.090 -13.795 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.253 27.007 -14.073 1.00 0.00 H new ATOM 0 HE1 HIS A 112 78.875 31.050 -15.334 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.618 29.008 -14.473 1.00 0.00 H new ATOM 1487 N LEU A 113 81.460 28.301 -17.844 1.00 0.00 N ATOM 1488 CA LEU A 113 80.576 28.176 -19.000 1.00 0.00 C ATOM 1489 C LEU A 113 81.329 27.897 -20.327 1.00 0.00 C ATOM 1490 O LEU A 113 80.695 27.680 -21.365 1.00 0.00 O ATOM 1491 CB LEU A 113 79.720 29.466 -19.059 1.00 0.00 C ATOM 1492 CG LEU A 113 78.196 29.277 -19.132 1.00 0.00 C ATOM 1493 CD1 LEU A 113 77.802 28.393 -20.308 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.596 28.707 -17.857 1.00 0.00 C ATOM 0 H LEU A 113 81.706 29.272 -17.650 1.00 0.00 H new ATOM 0 HA LEU A 113 79.938 27.301 -18.879 1.00 0.00 H new ATOM 0 HB2 LEU A 113 79.947 30.066 -18.178 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.034 30.044 -19.928 1.00 0.00 H new ATOM 0 HG LEU A 113 77.789 30.279 -19.269 1.00 0.00 H new ATOM 0 HD11 LEU A 113 76.718 28.280 -20.331 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.138 28.853 -21.237 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.267 27.413 -20.199 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.518 28.600 -17.978 1.00 0.00 H new ATOM 0 HD22 LEU A 113 78.037 27.731 -17.652 1.00 0.00 H new ATOM 0 HD23 LEU A 113 77.802 29.380 -17.025 1.00 0.00 H new ATOM 1506 N ARG A 114 82.672 27.898 -20.306 1.00 0.00 N ATOM 1507 CA ARG A 114 83.544 27.527 -21.435 1.00 0.00 C ATOM 1508 C ARG A 114 83.552 26.007 -21.677 1.00 0.00 C ATOM 1509 O ARG A 114 83.275 25.586 -22.825 1.00 0.00 O ATOM 1510 CB ARG A 114 84.957 28.092 -21.203 1.00 0.00 C ATOM 1511 CG ARG A 114 85.908 27.791 -22.377 1.00 0.00 C ATOM 1512 CD ARG A 114 87.277 28.462 -22.211 1.00 0.00 C ATOM 1513 NE ARG A 114 88.036 27.909 -21.070 1.00 0.00 N ATOM 1514 CZ ARG A 114 89.250 28.257 -20.688 1.00 0.00 C ATOM 1515 NH1 ARG A 114 89.938 29.173 -21.306 1.00 0.00 N ATOM 1516 NH2 ARG A 114 89.804 27.680 -19.661 1.00 0.00 N ATOM 1517 OXT ARG A 114 83.839 25.237 -20.729 1.00 0.00 O ATOM 0 H ARG A 114 83.199 28.166 -19.475 1.00 0.00 H new ATOM 0 HA ARG A 114 83.146 27.970 -22.348 1.00 0.00 H new ATOM 0 HB2 ARG A 114 84.895 29.170 -21.056 1.00 0.00 H new ATOM 0 HB3 ARG A 114 85.369 27.669 -20.287 1.00 0.00 H new ATOM 0 HG2 ARG A 114 86.044 26.713 -22.463 1.00 0.00 H new ATOM 0 HG3 ARG A 114 85.451 28.130 -23.307 1.00 0.00 H new ATOM 0 HD2 ARG A 114 87.856 28.334 -23.126 1.00 0.00 H new ATOM 0 HD3 ARG A 114 87.139 29.534 -22.068 1.00 0.00 H new ATOM 0 HE ARG A 114 87.574 27.184 -20.521 1.00 0.00 H new ATOM 0 HH11 ARG A 114 89.541 29.649 -22.116 1.00 0.00 H new ATOM 0 HH12 ARG A 114 90.874 29.414 -20.980 1.00 0.00 H new ATOM 0 HH21 ARG A 114 89.299 26.956 -19.149 1.00 0.00 H new ATOM 0 HH22 ARG A 114 90.743 27.951 -19.368 1.00 0.00 H new