USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 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 Single : A 28 SER OG : rot 31:sc= 0.024 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= 0.00249 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.267 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -177:sc= 1.12 (180deg=1.11) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -131:sc= -2.68 (180deg=-5.96!) 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 Single : A 112 HIS : no HD1:sc= -0.157 K(o=-0.16,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 171 N SER A 28 43.219 83.013 -9.156 1.00 0.00 N ATOM 172 CA SER A 28 44.619 82.812 -8.731 1.00 0.00 C ATOM 173 C SER A 28 45.434 82.063 -9.794 1.00 0.00 C ATOM 174 O SER A 28 44.916 81.169 -10.469 1.00 0.00 O ATOM 175 CB SER A 28 44.681 82.036 -7.406 1.00 0.00 C ATOM 176 OG SER A 28 44.051 82.756 -6.354 1.00 0.00 O ATOM 0 HA SER A 28 45.054 83.802 -8.594 1.00 0.00 H new ATOM 0 HB2 SER A 28 44.197 81.067 -7.527 1.00 0.00 H new ATOM 0 HB3 SER A 28 45.721 81.842 -7.144 1.00 0.00 H new ATOM 0 HG SER A 28 43.326 83.304 -6.721 1.00 0.00 H new ATOM 182 N VAL A 29 46.719 82.413 -9.937 1.00 0.00 N ATOM 183 CA VAL A 29 47.657 81.801 -10.903 1.00 0.00 C ATOM 184 C VAL A 29 49.112 81.876 -10.412 1.00 0.00 C ATOM 185 O VAL A 29 49.512 82.843 -9.757 1.00 0.00 O ATOM 186 CB VAL A 29 47.481 82.444 -12.302 1.00 0.00 C ATOM 187 CG1 VAL A 29 47.837 83.936 -12.351 1.00 0.00 C ATOM 188 CG2 VAL A 29 48.278 81.714 -13.391 1.00 0.00 C ATOM 0 H VAL A 29 47.151 83.146 -9.374 1.00 0.00 H new ATOM 0 HA VAL A 29 47.417 80.741 -10.987 1.00 0.00 H new ATOM 0 HB VAL A 29 46.414 82.343 -12.501 1.00 0.00 H new ATOM 0 HG11 VAL A 29 47.688 84.313 -13.363 1.00 0.00 H new ATOM 0 HG12 VAL A 29 47.197 84.486 -11.661 1.00 0.00 H new ATOM 0 HG13 VAL A 29 48.880 84.071 -12.064 1.00 0.00 H new ATOM 0 HG21 VAL A 29 48.118 82.206 -14.350 1.00 0.00 H new ATOM 0 HG22 VAL A 29 49.339 81.738 -13.143 1.00 0.00 H new ATOM 0 HG23 VAL A 29 47.943 80.679 -13.454 1.00 0.00 H new ATOM 198 N SER A 30 49.913 80.859 -10.743 1.00 0.00 N ATOM 199 CA SER A 30 51.370 80.806 -10.529 1.00 0.00 C ATOM 200 C SER A 30 52.067 79.988 -11.630 1.00 0.00 C ATOM 201 O SER A 30 51.470 79.078 -12.217 1.00 0.00 O ATOM 202 CB SER A 30 51.703 80.247 -9.136 1.00 0.00 C ATOM 203 OG SER A 30 51.179 78.937 -8.951 1.00 0.00 O ATOM 0 H SER A 30 49.553 80.013 -11.186 1.00 0.00 H new ATOM 0 HA SER A 30 51.749 81.827 -10.583 1.00 0.00 H new ATOM 0 HB2 SER A 30 52.785 80.228 -9.002 1.00 0.00 H new ATOM 0 HB3 SER A 30 51.299 80.911 -8.372 1.00 0.00 H new ATOM 0 HG SER A 30 51.412 78.615 -8.055 1.00 0.00 H new ATOM 209 N PHE A 31 53.322 80.332 -11.946 1.00 0.00 N ATOM 210 CA PHE A 31 54.102 79.723 -13.035 1.00 0.00 C ATOM 211 C PHE A 31 55.628 79.821 -12.805 1.00 0.00 C ATOM 212 O PHE A 31 56.095 80.624 -11.991 1.00 0.00 O ATOM 213 CB PHE A 31 53.699 80.400 -14.362 1.00 0.00 C ATOM 214 CG PHE A 31 54.223 79.709 -15.608 1.00 0.00 C ATOM 215 CD1 PHE A 31 53.693 78.461 -15.991 1.00 0.00 C ATOM 216 CD2 PHE A 31 55.259 80.289 -16.366 1.00 0.00 C ATOM 217 CE1 PHE A 31 54.201 77.794 -17.122 1.00 0.00 C ATOM 218 CE2 PHE A 31 55.766 79.621 -17.495 1.00 0.00 C ATOM 219 CZ PHE A 31 55.239 78.374 -17.872 1.00 0.00 C ATOM 0 H PHE A 31 53.835 81.056 -11.443 1.00 0.00 H new ATOM 0 HA PHE A 31 53.874 78.658 -13.069 1.00 0.00 H new ATOM 0 HB2 PHE A 31 52.611 80.444 -14.417 1.00 0.00 H new ATOM 0 HB3 PHE A 31 54.059 81.429 -14.354 1.00 0.00 H new ATOM 0 HD1 PHE A 31 52.895 78.015 -15.416 1.00 0.00 H new ATOM 0 HD2 PHE A 31 55.665 81.248 -16.080 1.00 0.00 H new ATOM 0 HE1 PHE A 31 53.793 76.837 -17.413 1.00 0.00 H new ATOM 0 HE2 PHE A 31 56.562 80.067 -18.073 1.00 0.00 H new ATOM 0 HZ PHE A 31 55.631 77.861 -18.738 1.00 0.00 H new ATOM 229 N GLY A 32 56.400 79.027 -13.558 1.00 0.00 N ATOM 230 CA GLY A 32 57.869 79.054 -13.605 1.00 0.00 C ATOM 231 C GLY A 32 58.538 77.934 -12.796 1.00 0.00 C ATOM 232 O GLY A 32 58.184 77.683 -11.640 1.00 0.00 O ATOM 0 H GLY A 32 56.003 78.320 -14.176 1.00 0.00 H new ATOM 0 HA2 GLY A 32 58.191 78.980 -14.644 1.00 0.00 H new ATOM 0 HA3 GLY A 32 58.217 80.017 -13.231 1.00 0.00 H new ATOM 236 N ALA A 33 59.515 77.266 -13.417 1.00 0.00 N ATOM 237 CA ALA A 33 60.325 76.182 -12.848 1.00 0.00 C ATOM 238 C ALA A 33 61.697 76.073 -13.565 1.00 0.00 C ATOM 239 O ALA A 33 61.798 76.465 -14.736 1.00 0.00 O ATOM 240 CB ALA A 33 59.537 74.869 -12.985 1.00 0.00 C ATOM 0 H ALA A 33 59.777 77.477 -14.380 1.00 0.00 H new ATOM 0 HA ALA A 33 60.527 76.390 -11.797 1.00 0.00 H new ATOM 0 HB1 ALA A 33 60.121 74.049 -12.568 1.00 0.00 H new ATOM 0 HB2 ALA A 33 58.593 74.953 -12.446 1.00 0.00 H new ATOM 0 HB3 ALA A 33 59.337 74.673 -14.038 1.00 0.00 H new ATOM 246 N PRO A 34 62.749 75.537 -12.911 1.00 0.00 N ATOM 247 CA PRO A 34 64.044 75.282 -13.549 1.00 0.00 C ATOM 248 C PRO A 34 63.977 74.130 -14.571 1.00 0.00 C ATOM 249 O PRO A 34 63.167 73.206 -14.438 1.00 0.00 O ATOM 250 CB PRO A 34 65.006 74.975 -12.397 1.00 0.00 C ATOM 251 CG PRO A 34 64.095 74.347 -11.342 1.00 0.00 C ATOM 252 CD PRO A 34 62.788 75.122 -11.514 1.00 0.00 C ATOM 0 HA PRO A 34 64.376 76.142 -14.131 1.00 0.00 H new ATOM 0 HB2 PRO A 34 65.798 74.292 -12.704 1.00 0.00 H new ATOM 0 HB3 PRO A 34 65.491 75.878 -12.025 1.00 0.00 H new ATOM 0 HG2 PRO A 34 63.957 73.279 -11.512 1.00 0.00 H new ATOM 0 HG3 PRO A 34 64.503 74.460 -10.337 1.00 0.00 H new ATOM 0 HD2 PRO A 34 61.929 74.498 -11.268 1.00 0.00 H new ATOM 0 HD3 PRO A 34 62.756 75.985 -10.849 1.00 0.00 H new ATOM 260 N SER A 35 64.870 74.167 -15.571 1.00 0.00 N ATOM 261 CA SER A 35 64.914 73.210 -16.695 1.00 0.00 C ATOM 262 C SER A 35 66.346 72.711 -16.989 1.00 0.00 C ATOM 263 O SER A 35 66.902 73.022 -18.049 1.00 0.00 O ATOM 264 CB SER A 35 64.270 73.835 -17.948 1.00 0.00 C ATOM 265 OG SER A 35 62.898 74.144 -17.727 1.00 0.00 O ATOM 0 H SER A 35 65.600 74.878 -15.625 1.00 0.00 H new ATOM 0 HA SER A 35 64.338 72.332 -16.404 1.00 0.00 H new ATOM 0 HB2 SER A 35 64.809 74.742 -18.222 1.00 0.00 H new ATOM 0 HB3 SER A 35 64.359 73.145 -18.787 1.00 0.00 H new ATOM 0 HG SER A 35 62.517 74.540 -18.538 1.00 0.00 H new ATOM 271 N PRO A 36 66.981 71.952 -16.070 1.00 0.00 N ATOM 272 CA PRO A 36 68.297 71.351 -16.300 1.00 0.00 C ATOM 273 C PRO A 36 68.241 70.265 -17.394 1.00 0.00 C ATOM 274 O PRO A 36 67.333 69.429 -17.408 1.00 0.00 O ATOM 275 CB PRO A 36 68.728 70.786 -14.942 1.00 0.00 C ATOM 276 CG PRO A 36 67.401 70.452 -14.260 1.00 0.00 C ATOM 277 CD PRO A 36 66.466 71.551 -14.765 1.00 0.00 C ATOM 0 HA PRO A 36 69.018 72.081 -16.668 1.00 0.00 H new ATOM 0 HB2 PRO A 36 69.355 69.902 -15.055 1.00 0.00 H new ATOM 0 HB3 PRO A 36 69.303 71.513 -14.368 1.00 0.00 H new ATOM 0 HG2 PRO A 36 67.044 69.460 -14.537 1.00 0.00 H new ATOM 0 HG3 PRO A 36 67.491 70.467 -13.174 1.00 0.00 H new ATOM 0 HD2 PRO A 36 65.442 71.185 -14.846 1.00 0.00 H new ATOM 0 HD3 PRO A 36 66.449 72.396 -14.076 1.00 0.00 H new ATOM 285 N LEU A 37 69.217 70.276 -18.308 1.00 0.00 N ATOM 286 CA LEU A 37 69.306 69.381 -19.474 1.00 0.00 C ATOM 287 C LEU A 37 70.758 68.964 -19.777 1.00 0.00 C ATOM 288 O LEU A 37 71.706 69.710 -19.510 1.00 0.00 O ATOM 289 CB LEU A 37 68.702 70.080 -20.714 1.00 0.00 C ATOM 290 CG LEU A 37 67.175 70.288 -20.698 1.00 0.00 C ATOM 291 CD1 LEU A 37 66.760 71.128 -21.907 1.00 0.00 C ATOM 292 CD2 LEU A 37 66.405 68.967 -20.763 1.00 0.00 C ATOM 0 H LEU A 37 69.997 70.931 -18.257 1.00 0.00 H new ATOM 0 HA LEU A 37 68.744 68.478 -19.237 1.00 0.00 H new ATOM 0 HB2 LEU A 37 69.180 71.053 -20.826 1.00 0.00 H new ATOM 0 HB3 LEU A 37 68.959 69.495 -21.597 1.00 0.00 H new ATOM 0 HG LEU A 37 66.934 70.788 -19.760 1.00 0.00 H new ATOM 0 HD11 LEU A 37 65.680 71.275 -21.895 1.00 0.00 H new ATOM 0 HD12 LEU A 37 67.258 72.097 -21.865 1.00 0.00 H new ATOM 0 HD13 LEU A 37 67.046 70.612 -22.824 1.00 0.00 H new ATOM 0 HD21 LEU A 37 65.334 69.169 -20.749 1.00 0.00 H new ATOM 0 HD22 LEU A 37 66.663 68.440 -21.682 1.00 0.00 H new ATOM 0 HD23 LEU A 37 66.669 68.349 -19.905 1.00 0.00 H new ATOM 304 N SER A 38 70.923 67.785 -20.384 1.00 0.00 N ATOM 305 CA SER A 38 72.185 67.299 -20.965 1.00 0.00 C ATOM 306 C SER A 38 72.454 67.892 -22.360 1.00 0.00 C ATOM 307 O SER A 38 71.544 68.398 -23.029 1.00 0.00 O ATOM 308 CB SER A 38 72.176 65.765 -21.020 1.00 0.00 C ATOM 309 OG SER A 38 71.035 65.288 -21.725 1.00 0.00 O ATOM 0 H SER A 38 70.158 67.118 -20.490 1.00 0.00 H new ATOM 0 HA SER A 38 72.997 67.634 -20.320 1.00 0.00 H new ATOM 0 HB2 SER A 38 73.084 65.409 -21.507 1.00 0.00 H new ATOM 0 HB3 SER A 38 72.178 65.361 -20.008 1.00 0.00 H new ATOM 0 HG SER A 38 71.051 64.308 -21.749 1.00 0.00 H new ATOM 315 N SER A 39 73.712 67.836 -22.805 1.00 0.00 N ATOM 316 CA SER A 39 74.174 68.371 -24.102 1.00 0.00 C ATOM 317 C SER A 39 75.304 67.559 -24.764 1.00 0.00 C ATOM 318 O SER A 39 75.694 67.857 -25.895 1.00 0.00 O ATOM 319 CB SER A 39 74.613 69.834 -23.931 1.00 0.00 C ATOM 320 OG SER A 39 75.705 69.943 -23.026 1.00 0.00 O ATOM 0 H SER A 39 74.462 67.407 -22.263 1.00 0.00 H new ATOM 0 HA SER A 39 73.322 68.295 -24.777 1.00 0.00 H new ATOM 0 HB2 SER A 39 74.898 70.246 -24.899 1.00 0.00 H new ATOM 0 HB3 SER A 39 73.775 70.427 -23.566 1.00 0.00 H new ATOM 0 HG SER A 39 75.964 70.884 -22.938 1.00 0.00 H new ATOM 326 N GLU A 40 75.820 66.532 -24.084 1.00 0.00 N ATOM 327 CA GLU A 40 77.008 65.749 -24.457 1.00 0.00 C ATOM 328 C GLU A 40 76.755 64.232 -24.636 1.00 0.00 C ATOM 329 O GLU A 40 77.676 63.480 -24.976 1.00 0.00 O ATOM 330 CB GLU A 40 78.122 66.010 -23.422 1.00 0.00 C ATOM 331 CG GLU A 40 77.822 65.527 -21.990 1.00 0.00 C ATOM 332 CD GLU A 40 76.915 66.497 -21.201 1.00 0.00 C ATOM 333 OE1 GLU A 40 75.667 66.384 -21.294 1.00 0.00 O ATOM 334 OE2 GLU A 40 77.449 67.367 -20.469 1.00 0.00 O ATOM 0 H GLU A 40 75.401 66.205 -23.213 1.00 0.00 H new ATOM 0 HA GLU A 40 77.313 66.089 -25.447 1.00 0.00 H new ATOM 0 HB2 GLU A 40 79.035 65.525 -23.767 1.00 0.00 H new ATOM 0 HB3 GLU A 40 78.322 67.081 -23.391 1.00 0.00 H new ATOM 0 HG2 GLU A 40 77.344 64.548 -22.036 1.00 0.00 H new ATOM 0 HG3 GLU A 40 78.761 65.398 -21.452 1.00 0.00 H new ATOM 341 N SER A 41 75.529 63.759 -24.381 1.00 0.00 N ATOM 342 CA SER A 41 75.180 62.329 -24.384 1.00 0.00 C ATOM 343 C SER A 41 75.118 61.716 -25.794 1.00 0.00 C ATOM 344 O SER A 41 74.588 62.321 -26.727 1.00 0.00 O ATOM 345 CB SER A 41 73.842 62.093 -23.672 1.00 0.00 C ATOM 346 OG SER A 41 73.886 62.588 -22.340 1.00 0.00 O ATOM 0 H SER A 41 74.739 64.366 -24.163 1.00 0.00 H new ATOM 0 HA SER A 41 75.986 61.829 -23.847 1.00 0.00 H new ATOM 0 HB2 SER A 41 73.040 62.586 -24.222 1.00 0.00 H new ATOM 0 HB3 SER A 41 73.613 61.027 -23.662 1.00 0.00 H new ATOM 0 HG SER A 41 73.023 62.430 -21.903 1.00 0.00 H new ATOM 352 N GLU A 42 75.596 60.471 -25.921 1.00 0.00 N ATOM 353 CA GLU A 42 75.492 59.601 -27.114 1.00 0.00 C ATOM 354 C GLU A 42 76.142 60.122 -28.418 1.00 0.00 C ATOM 355 O GLU A 42 75.968 59.511 -29.473 1.00 0.00 O ATOM 356 CB GLU A 42 74.035 59.134 -27.338 1.00 0.00 C ATOM 357 CG GLU A 42 73.307 58.570 -26.108 1.00 0.00 C ATOM 358 CD GLU A 42 73.940 57.262 -25.587 1.00 0.00 C ATOM 359 OE1 GLU A 42 75.073 57.314 -25.050 1.00 0.00 O ATOM 360 OE2 GLU A 42 73.274 56.197 -25.669 1.00 0.00 O ATOM 0 H GLU A 42 76.093 60.013 -25.157 1.00 0.00 H new ATOM 0 HA GLU A 42 76.115 58.743 -26.864 1.00 0.00 H new ATOM 0 HB2 GLU A 42 73.460 59.977 -27.720 1.00 0.00 H new ATOM 0 HB3 GLU A 42 74.036 58.370 -28.116 1.00 0.00 H new ATOM 0 HG2 GLU A 42 73.316 59.315 -25.312 1.00 0.00 H new ATOM 0 HG3 GLU A 42 72.263 58.387 -26.361 1.00 0.00 H new ATOM 367 N ASP A 43 76.929 61.206 -28.377 1.00 0.00 N ATOM 368 CA ASP A 43 77.494 61.834 -29.589 1.00 0.00 C ATOM 369 C ASP A 43 78.576 61.000 -30.305 1.00 0.00 C ATOM 370 O ASP A 43 78.837 61.201 -31.495 1.00 0.00 O ATOM 371 CB ASP A 43 78.033 63.234 -29.257 1.00 0.00 C ATOM 372 CG ASP A 43 76.912 64.271 -29.064 1.00 0.00 C ATOM 373 OD1 ASP A 43 76.106 64.479 -30.006 1.00 0.00 O ATOM 374 OD2 ASP A 43 76.871 64.930 -27.998 1.00 0.00 O ATOM 0 H ASP A 43 77.193 61.673 -27.510 1.00 0.00 H new ATOM 0 HA ASP A 43 76.667 61.901 -30.296 1.00 0.00 H new ATOM 0 HB2 ASP A 43 78.634 63.182 -28.349 1.00 0.00 H new ATOM 0 HB3 ASP A 43 78.694 63.564 -30.059 1.00 0.00 H new ATOM 379 N GLU A 44 79.191 60.055 -29.591 1.00 0.00 N ATOM 380 CA GLU A 44 80.252 59.165 -30.101 1.00 0.00 C ATOM 381 C GLU A 44 80.185 57.713 -29.567 1.00 0.00 C ATOM 382 O GLU A 44 81.137 56.946 -29.736 1.00 0.00 O ATOM 383 CB GLU A 44 81.630 59.822 -29.876 1.00 0.00 C ATOM 384 CG GLU A 44 82.032 59.974 -28.401 1.00 0.00 C ATOM 385 CD GLU A 44 83.389 60.694 -28.280 1.00 0.00 C ATOM 386 OE1 GLU A 44 84.448 60.019 -28.294 1.00 0.00 O ATOM 387 OE2 GLU A 44 83.414 61.945 -28.163 1.00 0.00 O ATOM 0 H GLU A 44 78.963 59.878 -28.613 1.00 0.00 H new ATOM 0 HA GLU A 44 80.085 59.048 -31.172 1.00 0.00 H new ATOM 0 HB2 GLU A 44 82.389 59.229 -30.387 1.00 0.00 H new ATOM 0 HB3 GLU A 44 81.629 60.807 -30.342 1.00 0.00 H new ATOM 0 HG2 GLU A 44 81.267 60.537 -27.866 1.00 0.00 H new ATOM 0 HG3 GLU A 44 82.092 58.992 -27.932 1.00 0.00 H new ATOM 631 N ALA A 61 67.212 33.879 -15.962 1.00 0.00 N ATOM 632 CA ALA A 61 68.539 33.362 -15.635 1.00 0.00 C ATOM 633 C ALA A 61 68.556 32.618 -14.287 1.00 0.00 C ATOM 634 O ALA A 61 68.244 33.200 -13.246 1.00 0.00 O ATOM 635 CB ALA A 61 69.554 34.510 -15.672 1.00 0.00 C ATOM 0 HA ALA A 61 68.820 32.622 -16.384 1.00 0.00 H new ATOM 0 HB1 ALA A 61 70.545 34.127 -15.428 1.00 0.00 H new ATOM 0 HB2 ALA A 61 69.570 34.950 -16.669 1.00 0.00 H new ATOM 0 HB3 ALA A 61 69.270 35.270 -14.945 1.00 0.00 H new ATOM 641 N ALA A 62 68.963 31.347 -14.301 1.00 0.00 N ATOM 642 CA ALA A 62 69.284 30.572 -13.101 1.00 0.00 C ATOM 643 C ALA A 62 70.723 30.860 -12.629 1.00 0.00 C ATOM 644 O ALA A 62 71.617 31.119 -13.443 1.00 0.00 O ATOM 645 CB ALA A 62 69.040 29.083 -13.372 1.00 0.00 C ATOM 0 H ALA A 62 69.081 30.817 -15.165 1.00 0.00 H new ATOM 0 HA ALA A 62 68.628 30.874 -12.285 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.279 28.507 -12.478 1.00 0.00 H new ATOM 0 HB2 ALA A 62 67.994 28.928 -13.635 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.674 28.755 -14.196 1.00 0.00 H new ATOM 651 N LEU A 63 70.942 30.833 -11.309 1.00 0.00 N ATOM 652 CA LEU A 63 72.178 31.292 -10.659 1.00 0.00 C ATOM 653 C LEU A 63 72.763 30.249 -9.692 1.00 0.00 C ATOM 654 O LEU A 63 72.042 29.406 -9.153 1.00 0.00 O ATOM 655 CB LEU A 63 71.919 32.613 -9.903 1.00 0.00 C ATOM 656 CG LEU A 63 71.280 33.753 -10.716 1.00 0.00 C ATOM 657 CD1 LEU A 63 71.059 34.966 -9.813 1.00 0.00 C ATOM 658 CD2 LEU A 63 72.147 34.202 -11.889 1.00 0.00 C ATOM 0 H LEU A 63 70.249 30.484 -10.647 1.00 0.00 H new ATOM 0 HA LEU A 63 72.912 31.450 -11.449 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.274 32.398 -9.051 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.868 32.969 -9.503 1.00 0.00 H new ATOM 0 HG LEU A 63 70.341 33.364 -11.109 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.607 35.772 -10.391 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.397 34.692 -8.992 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.016 35.300 -9.412 1.00 0.00 H new ATOM 0 HD21 LEU A 63 71.645 35.007 -12.425 1.00 0.00 H new ATOM 0 HD22 LEU A 63 73.108 34.558 -11.516 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.308 33.362 -12.565 1.00 0.00 H new ATOM 670 N HIS A 64 74.066 30.360 -9.418 1.00 0.00 N ATOM 671 CA HIS A 64 74.739 29.651 -8.325 1.00 0.00 C ATOM 672 C HIS A 64 74.506 30.383 -6.995 1.00 0.00 C ATOM 673 O HIS A 64 74.515 31.615 -6.956 1.00 0.00 O ATOM 674 CB HIS A 64 76.234 29.534 -8.647 1.00 0.00 C ATOM 675 CG HIS A 64 76.556 28.559 -9.750 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.512 27.167 -9.629 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.988 28.888 -11.004 1.00 0.00 C ATOM 678 CE1 HIS A 64 76.925 26.687 -10.814 1.00 0.00 C ATOM 679 NE2 HIS A 64 77.220 27.694 -11.653 1.00 0.00 N ATOM 0 H HIS A 64 74.694 30.955 -9.959 1.00 0.00 H new ATOM 0 HA HIS A 64 74.326 28.648 -8.224 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.612 30.518 -8.926 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.766 29.232 -7.745 1.00 0.00 H new ATOM 0 HD2 HIS A 64 77.121 29.882 -11.405 1.00 0.00 H new ATOM 0 HE1 HIS A 64 77.008 25.638 -11.058 1.00 0.00 H new ATOM 0 HE2 HIS A 64 77.559 27.592 -12.610 1.00 0.00 H new ATOM 687 N ALA A 65 74.311 29.643 -5.900 1.00 0.00 N ATOM 688 CA ALA A 65 73.908 30.203 -4.602 1.00 0.00 C ATOM 689 C ALA A 65 75.061 30.382 -3.586 1.00 0.00 C ATOM 690 O ALA A 65 74.880 31.046 -2.563 1.00 0.00 O ATOM 691 CB ALA A 65 72.792 29.314 -4.041 1.00 0.00 C ATOM 0 H ALA A 65 74.429 28.630 -5.887 1.00 0.00 H new ATOM 0 HA ALA A 65 73.557 31.221 -4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.468 29.702 -3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.949 29.310 -4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.165 28.297 -3.917 1.00 0.00 H new ATOM 697 N GLU A 66 76.234 29.790 -3.841 1.00 0.00 N ATOM 698 CA GLU A 66 77.367 29.737 -2.899 1.00 0.00 C ATOM 699 C GLU A 66 78.741 29.705 -3.601 1.00 0.00 C ATOM 700 O GLU A 66 78.835 29.496 -4.815 1.00 0.00 O ATOM 701 CB GLU A 66 77.192 28.531 -1.953 1.00 0.00 C ATOM 702 CG GLU A 66 77.231 27.164 -2.651 1.00 0.00 C ATOM 703 CD GLU A 66 77.044 26.026 -1.630 1.00 0.00 C ATOM 704 OE1 GLU A 66 78.053 25.550 -1.052 1.00 0.00 O ATOM 705 OE2 GLU A 66 75.888 25.594 -1.395 1.00 0.00 O ATOM 0 H GLU A 66 76.430 29.323 -4.727 1.00 0.00 H new ATOM 0 HA GLU A 66 77.357 30.660 -2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.977 28.561 -1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 66 76.241 28.631 -1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.447 27.114 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 66 78.182 27.042 -3.169 1.00 0.00 H new ATOM 712 N GLY A 67 79.815 29.911 -2.829 1.00 0.00 N ATOM 713 CA GLY A 67 81.199 29.910 -3.323 1.00 0.00 C ATOM 714 C GLY A 67 81.551 31.129 -4.198 1.00 0.00 C ATOM 715 O GLY A 67 80.832 32.134 -4.181 1.00 0.00 O ATOM 0 H GLY A 67 79.746 30.086 -1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.878 29.878 -2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.368 29.000 -3.899 1.00 0.00 H new ATOM 719 N PRO A 68 82.639 31.062 -4.994 1.00 0.00 N ATOM 720 CA PRO A 68 83.092 32.180 -5.833 1.00 0.00 C ATOM 721 C PRO A 68 82.128 32.517 -6.987 1.00 0.00 C ATOM 722 O PRO A 68 82.205 33.610 -7.551 1.00 0.00 O ATOM 723 CB PRO A 68 84.475 31.757 -6.344 1.00 0.00 C ATOM 724 CG PRO A 68 84.402 30.232 -6.360 1.00 0.00 C ATOM 725 CD PRO A 68 83.543 29.925 -5.134 1.00 0.00 C ATOM 0 HA PRO A 68 83.128 33.104 -5.256 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.675 32.159 -7.337 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.270 32.113 -5.689 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.947 29.858 -7.277 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.390 29.778 -6.286 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.988 28.997 -5.267 1.00 0.00 H new ATOM 0 HD3 PRO A 68 84.160 29.803 -4.244 1.00 0.00 H new ATOM 733 N LEU A 69 81.202 31.606 -7.324 1.00 0.00 N ATOM 734 CA LEU A 69 80.161 31.807 -8.339 1.00 0.00 C ATOM 735 C LEU A 69 78.832 32.344 -7.773 1.00 0.00 C ATOM 736 O LEU A 69 77.877 32.470 -8.532 1.00 0.00 O ATOM 737 CB LEU A 69 79.950 30.508 -9.144 1.00 0.00 C ATOM 738 CG LEU A 69 81.171 30.009 -9.943 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.819 28.679 -10.605 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.621 30.987 -11.028 1.00 0.00 C ATOM 0 H LEU A 69 81.157 30.686 -6.886 1.00 0.00 H new ATOM 0 HA LEU A 69 80.521 32.590 -9.006 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.644 29.721 -8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 69 79.124 30.663 -9.838 1.00 0.00 H new ATOM 0 HG LEU A 69 81.994 29.905 -9.236 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.676 28.317 -11.173 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.557 27.949 -9.839 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.972 28.820 -11.277 1.00 0.00 H new ATOM 0 HD21 LEU A 69 82.484 30.576 -11.553 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.807 31.145 -11.736 1.00 0.00 H new ATOM 0 HD23 LEU A 69 81.894 31.938 -10.570 1.00 0.00 H new ATOM 752 N ALA A 70 78.716 32.668 -6.481 1.00 0.00 N ATOM 753 CA ALA A 70 77.452 33.133 -5.907 1.00 0.00 C ATOM 754 C ALA A 70 76.896 34.371 -6.648 1.00 0.00 C ATOM 755 O ALA A 70 77.556 35.408 -6.763 1.00 0.00 O ATOM 756 CB ALA A 70 77.641 33.399 -4.410 1.00 0.00 C ATOM 0 H ALA A 70 79.485 32.616 -5.813 1.00 0.00 H new ATOM 0 HA ALA A 70 76.704 32.350 -6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.701 33.745 -3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 70 77.950 32.479 -3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.407 34.162 -4.270 1.00 0.00 H new ATOM 762 N GLY A 71 75.671 34.235 -7.163 1.00 0.00 N ATOM 763 CA GLY A 71 74.981 35.230 -7.995 1.00 0.00 C ATOM 764 C GLY A 71 75.352 35.212 -9.489 1.00 0.00 C ATOM 765 O GLY A 71 74.881 36.073 -10.233 1.00 0.00 O ATOM 0 H GLY A 71 75.110 33.398 -7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 71 73.906 35.073 -7.903 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.194 36.222 -7.597 1.00 0.00 H new ATOM 769 N LEU A 72 76.180 34.260 -9.940 1.00 0.00 N ATOM 770 CA LEU A 72 76.652 34.104 -11.328 1.00 0.00 C ATOM 771 C LEU A 72 75.883 32.969 -12.061 1.00 0.00 C ATOM 772 O LEU A 72 75.260 32.135 -11.396 1.00 0.00 O ATOM 773 CB LEU A 72 78.192 33.929 -11.319 1.00 0.00 C ATOM 774 CG LEU A 72 78.999 35.013 -10.567 1.00 0.00 C ATOM 775 CD1 LEU A 72 80.481 34.887 -10.928 1.00 0.00 C ATOM 776 CD2 LEU A 72 78.588 36.452 -10.896 1.00 0.00 C ATOM 0 H LEU A 72 76.558 33.543 -9.321 1.00 0.00 H new ATOM 0 HA LEU A 72 76.434 35.001 -11.907 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.424 32.960 -10.876 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.539 33.898 -12.352 1.00 0.00 H new ATOM 0 HG LEU A 72 78.798 34.837 -9.510 1.00 0.00 H new ATOM 0 HD11 LEU A 72 81.051 35.651 -10.398 1.00 0.00 H new ATOM 0 HD12 LEU A 72 80.843 33.900 -10.641 1.00 0.00 H new ATOM 0 HD13 LEU A 72 80.606 35.021 -12.002 1.00 0.00 H new ATOM 0 HD21 LEU A 72 79.205 37.146 -10.325 1.00 0.00 H new ATOM 0 HD22 LEU A 72 78.727 36.635 -11.961 1.00 0.00 H new ATOM 0 HD23 LEU A 72 77.540 36.600 -10.636 1.00 0.00 H new ATOM 788 N PRO A 73 75.863 32.931 -13.412 1.00 0.00 N ATOM 789 CA PRO A 73 74.936 32.111 -14.204 1.00 0.00 C ATOM 790 C PRO A 73 75.295 30.621 -14.233 1.00 0.00 C ATOM 791 O PRO A 73 76.449 30.253 -14.028 1.00 0.00 O ATOM 792 CB PRO A 73 74.988 32.696 -15.619 1.00 0.00 C ATOM 793 CG PRO A 73 76.392 33.282 -15.718 1.00 0.00 C ATOM 794 CD PRO A 73 76.713 33.714 -14.297 1.00 0.00 C ATOM 0 HA PRO A 73 73.942 32.146 -13.758 1.00 0.00 H new ATOM 0 HB2 PRO A 73 74.820 31.929 -16.375 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.224 33.460 -15.765 1.00 0.00 H new ATOM 0 HG2 PRO A 73 77.107 32.544 -16.082 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.425 34.125 -16.408 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.766 33.544 -14.071 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.527 34.780 -14.167 1.00 0.00 H new ATOM 802 N VAL A 74 74.336 29.755 -14.570 1.00 0.00 N ATOM 803 CA VAL A 74 74.559 28.298 -14.672 1.00 0.00 C ATOM 804 C VAL A 74 74.676 27.805 -16.129 1.00 0.00 C ATOM 805 O VAL A 74 75.452 26.884 -16.385 1.00 0.00 O ATOM 806 CB VAL A 74 73.485 27.528 -13.880 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.767 26.021 -13.833 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.388 28.008 -12.423 1.00 0.00 C ATOM 0 H VAL A 74 73.379 30.038 -14.782 1.00 0.00 H new ATOM 0 HA VAL A 74 75.528 28.089 -14.219 1.00 0.00 H new ATOM 0 HB VAL A 74 72.552 27.722 -14.410 1.00 0.00 H new ATOM 0 HG11 VAL A 74 72.983 25.522 -13.264 1.00 0.00 H new ATOM 0 HG12 VAL A 74 73.789 25.623 -14.848 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.730 25.846 -13.354 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.619 27.438 -11.903 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.347 27.860 -11.927 1.00 0.00 H new ATOM 0 HG23 VAL A 74 73.129 29.067 -12.405 1.00 0.00 H new ATOM 818 N THR A 75 73.984 28.428 -17.094 1.00 0.00 N ATOM 819 CA THR A 75 74.036 28.089 -18.540 1.00 0.00 C ATOM 820 C THR A 75 74.407 29.270 -19.441 1.00 0.00 C ATOM 821 O THR A 75 74.455 30.419 -19.000 1.00 0.00 O ATOM 822 CB THR A 75 72.717 27.470 -19.035 1.00 0.00 C ATOM 823 OG1 THR A 75 71.728 28.472 -19.147 1.00 0.00 O ATOM 824 CG2 THR A 75 72.239 26.343 -18.124 1.00 0.00 C ATOM 0 H THR A 75 73.353 29.204 -16.894 1.00 0.00 H new ATOM 0 HA THR A 75 74.837 27.353 -18.617 1.00 0.00 H new ATOM 0 HB THR A 75 72.900 27.033 -20.017 1.00 0.00 H new ATOM 0 HG1 THR A 75 70.891 28.072 -19.464 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.305 25.934 -18.510 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.993 25.557 -18.091 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.077 26.732 -17.119 1.00 0.00 H new ATOM 832 N ARG A 76 74.669 29.013 -20.733 1.00 0.00 N ATOM 833 CA ARG A 76 75.004 30.072 -21.711 1.00 0.00 C ATOM 834 C ARG A 76 73.812 31.006 -21.943 1.00 0.00 C ATOM 835 O ARG A 76 73.995 32.217 -22.033 1.00 0.00 O ATOM 836 CB ARG A 76 75.531 29.414 -23.003 1.00 0.00 C ATOM 837 CG ARG A 76 76.195 30.425 -23.956 1.00 0.00 C ATOM 838 CD ARG A 76 76.773 29.751 -25.208 1.00 0.00 C ATOM 839 NE ARG A 76 77.904 28.848 -24.896 1.00 0.00 N ATOM 840 CZ ARG A 76 78.402 27.906 -25.677 1.00 0.00 C ATOM 841 NH1 ARG A 76 77.945 27.674 -26.876 1.00 0.00 N ATOM 842 NH2 ARG A 76 79.383 27.174 -25.252 1.00 0.00 N ATOM 0 H ARG A 76 74.656 28.074 -21.131 1.00 0.00 H new ATOM 0 HA ARG A 76 75.797 30.709 -21.319 1.00 0.00 H new ATOM 0 HB2 ARG A 76 76.251 28.638 -22.743 1.00 0.00 H new ATOM 0 HB3 ARG A 76 74.706 28.923 -23.518 1.00 0.00 H new ATOM 0 HG2 ARG A 76 75.462 31.175 -24.255 1.00 0.00 H new ATOM 0 HG3 ARG A 76 76.991 30.950 -23.428 1.00 0.00 H new ATOM 0 HD2 ARG A 76 75.987 29.184 -25.707 1.00 0.00 H new ATOM 0 HD3 ARG A 76 77.107 30.517 -25.908 1.00 0.00 H new ATOM 0 HE ARG A 76 78.344 28.965 -23.983 1.00 0.00 H new ATOM 0 HH11 ARG A 76 77.173 28.230 -27.244 1.00 0.00 H new ATOM 0 HH12 ARG A 76 78.359 26.936 -27.446 1.00 0.00 H new ATOM 0 HH21 ARG A 76 79.766 27.327 -24.319 1.00 0.00 H new ATOM 0 HH22 ARG A 76 79.772 26.445 -25.850 1.00 0.00 H new ATOM 856 N SER A 77 72.598 30.458 -21.901 1.00 0.00 N ATOM 857 CA SER A 77 71.350 31.229 -21.855 1.00 0.00 C ATOM 858 C SER A 77 71.280 32.097 -20.596 1.00 0.00 C ATOM 859 O SER A 77 71.033 33.296 -20.710 1.00 0.00 O ATOM 860 CB SER A 77 70.131 30.299 -21.919 1.00 0.00 C ATOM 861 OG SER A 77 70.194 29.486 -23.083 1.00 0.00 O ATOM 0 H SER A 77 72.449 29.449 -21.898 1.00 0.00 H new ATOM 0 HA SER A 77 71.338 31.885 -22.726 1.00 0.00 H new ATOM 0 HB2 SER A 77 70.097 29.671 -21.029 1.00 0.00 H new ATOM 0 HB3 SER A 77 69.215 30.889 -21.928 1.00 0.00 H new ATOM 0 HG SER A 77 69.412 28.896 -23.112 1.00 0.00 H new ATOM 867 N ASP A 78 71.593 31.554 -19.410 1.00 0.00 N ATOM 868 CA ASP A 78 71.614 32.352 -18.174 1.00 0.00 C ATOM 869 C ASP A 78 72.631 33.502 -18.265 1.00 0.00 C ATOM 870 O ASP A 78 72.305 34.639 -17.923 1.00 0.00 O ATOM 871 CB ASP A 78 71.952 31.489 -16.952 1.00 0.00 C ATOM 872 CG ASP A 78 70.985 30.334 -16.661 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.761 30.461 -16.906 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.467 29.326 -16.099 1.00 0.00 O ATOM 0 H ASP A 78 71.834 30.571 -19.280 1.00 0.00 H new ATOM 0 HA ASP A 78 70.612 32.765 -18.056 1.00 0.00 H new ATOM 0 HB2 ASP A 78 72.951 31.075 -17.088 1.00 0.00 H new ATOM 0 HB3 ASP A 78 71.991 32.135 -16.075 1.00 0.00 H new ATOM 879 N ALA A 79 73.843 33.236 -18.773 1.00 0.00 N ATOM 880 CA ALA A 79 74.886 34.245 -18.937 1.00 0.00 C ATOM 881 C ALA A 79 74.494 35.342 -19.950 1.00 0.00 C ATOM 882 O ALA A 79 74.691 36.523 -19.667 1.00 0.00 O ATOM 883 CB ALA A 79 76.207 33.532 -19.285 1.00 0.00 C ATOM 0 H ALA A 79 74.124 32.306 -19.082 1.00 0.00 H new ATOM 0 HA ALA A 79 75.021 34.785 -18.000 1.00 0.00 H new ATOM 0 HB1 ALA A 79 76.998 34.272 -19.411 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.475 32.849 -18.479 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.084 32.971 -20.211 1.00 0.00 H new ATOM 889 N ARG A 80 73.863 34.996 -21.084 1.00 0.00 N ATOM 890 CA ARG A 80 73.384 35.991 -22.068 1.00 0.00 C ATOM 891 C ARG A 80 72.227 36.839 -21.524 1.00 0.00 C ATOM 892 O ARG A 80 72.226 38.053 -21.714 1.00 0.00 O ATOM 893 CB ARG A 80 73.018 35.290 -23.392 1.00 0.00 C ATOM 894 CG ARG A 80 72.983 36.299 -24.556 1.00 0.00 C ATOM 895 CD ARG A 80 72.493 35.683 -25.872 1.00 0.00 C ATOM 896 NE ARG A 80 71.020 35.551 -25.904 1.00 0.00 N ATOM 897 CZ ARG A 80 70.262 35.494 -26.988 1.00 0.00 C ATOM 898 NH1 ARG A 80 70.758 35.421 -28.187 1.00 0.00 N ATOM 899 NH2 ARG A 80 68.965 35.518 -26.908 1.00 0.00 N ATOM 0 H ARG A 80 73.670 34.029 -21.346 1.00 0.00 H new ATOM 0 HA ARG A 80 74.197 36.690 -22.264 1.00 0.00 H new ATOM 0 HB2 ARG A 80 73.745 34.506 -23.606 1.00 0.00 H new ATOM 0 HB3 ARG A 80 72.046 34.806 -23.295 1.00 0.00 H new ATOM 0 HG2 ARG A 80 72.333 37.132 -24.288 1.00 0.00 H new ATOM 0 HG3 ARG A 80 73.982 36.709 -24.704 1.00 0.00 H new ATOM 0 HD2 ARG A 80 72.820 36.303 -26.707 1.00 0.00 H new ATOM 0 HD3 ARG A 80 72.949 34.702 -26.005 1.00 0.00 H new ATOM 0 HE ARG A 80 70.542 35.499 -25.004 1.00 0.00 H new ATOM 0 HH11 ARG A 80 71.769 35.406 -28.321 1.00 0.00 H new ATOM 0 HH12 ARG A 80 70.136 35.379 -28.994 1.00 0.00 H new ATOM 0 HH21 ARG A 80 68.511 35.582 -25.997 1.00 0.00 H new ATOM 0 HH22 ARG A 80 68.401 35.473 -27.757 1.00 0.00 H new ATOM 913 N VAL A 81 71.285 36.231 -20.797 1.00 0.00 N ATOM 914 CA VAL A 81 70.178 36.951 -20.128 1.00 0.00 C ATOM 915 C VAL A 81 70.716 37.914 -19.077 1.00 0.00 C ATOM 916 O VAL A 81 70.305 39.072 -19.057 1.00 0.00 O ATOM 917 CB VAL A 81 69.174 35.975 -19.489 1.00 0.00 C ATOM 918 CG1 VAL A 81 68.120 36.677 -18.619 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.415 35.218 -20.575 1.00 0.00 C ATOM 0 H VAL A 81 71.262 35.222 -20.651 1.00 0.00 H new ATOM 0 HA VAL A 81 69.653 37.523 -20.893 1.00 0.00 H new ATOM 0 HB VAL A 81 69.768 35.310 -18.862 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.443 35.934 -18.198 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.615 37.216 -17.811 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.553 37.380 -19.230 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.707 34.530 -20.112 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.875 35.927 -21.203 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.120 34.656 -21.187 1.00 0.00 H new ATOM 929 N LEU A 82 71.671 37.475 -18.249 1.00 0.00 N ATOM 930 CA LEU A 82 72.348 38.365 -17.297 1.00 0.00 C ATOM 931 C LEU A 82 73.039 39.541 -17.995 1.00 0.00 C ATOM 932 O LEU A 82 72.804 40.678 -17.594 1.00 0.00 O ATOM 933 CB LEU A 82 73.383 37.605 -16.452 1.00 0.00 C ATOM 934 CG LEU A 82 72.817 36.767 -15.296 1.00 0.00 C ATOM 935 CD1 LEU A 82 74.004 36.144 -14.565 1.00 0.00 C ATOM 936 CD2 LEU A 82 72.017 37.602 -14.294 1.00 0.00 C ATOM 0 H LEU A 82 71.993 36.508 -18.219 1.00 0.00 H new ATOM 0 HA LEU A 82 71.567 38.757 -16.645 1.00 0.00 H new ATOM 0 HB2 LEU A 82 73.948 36.946 -17.111 1.00 0.00 H new ATOM 0 HB3 LEU A 82 74.089 38.327 -16.041 1.00 0.00 H new ATOM 0 HG LEU A 82 72.138 36.022 -15.711 1.00 0.00 H new ATOM 0 HD11 LEU A 82 73.642 35.539 -13.734 1.00 0.00 H new ATOM 0 HD12 LEU A 82 74.566 35.514 -15.255 1.00 0.00 H new ATOM 0 HD13 LEU A 82 74.652 36.934 -14.184 1.00 0.00 H new ATOM 0 HD21 LEU A 82 71.642 36.956 -13.500 1.00 0.00 H new ATOM 0 HD22 LEU A 82 72.661 38.370 -13.864 1.00 0.00 H new ATOM 0 HD23 LEU A 82 71.178 38.076 -14.803 1.00 0.00 H new ATOM 948 N ILE A 83 73.831 39.292 -19.050 1.00 0.00 N ATOM 949 CA ILE A 83 74.472 40.358 -19.842 1.00 0.00 C ATOM 950 C ILE A 83 73.422 41.372 -20.304 1.00 0.00 C ATOM 951 O ILE A 83 73.580 42.563 -20.052 1.00 0.00 O ATOM 952 CB ILE A 83 75.276 39.776 -21.031 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.581 39.139 -20.496 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.595 40.844 -22.102 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.279 38.207 -21.496 1.00 0.00 C ATOM 0 H ILE A 83 74.046 38.350 -19.378 1.00 0.00 H new ATOM 0 HA ILE A 83 75.189 40.878 -19.207 1.00 0.00 H new ATOM 0 HB ILE A 83 74.662 39.018 -21.518 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.271 39.934 -20.214 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.354 38.577 -19.590 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.160 40.387 -22.915 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.665 41.256 -22.493 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.186 41.643 -21.654 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.185 37.802 -21.045 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.608 37.390 -21.761 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.540 38.767 -22.394 1.00 0.00 H new ATOM 967 N PHE A 84 72.336 40.912 -20.937 1.00 0.00 N ATOM 968 CA PHE A 84 71.314 41.804 -21.476 1.00 0.00 C ATOM 969 C PHE A 84 70.558 42.578 -20.389 1.00 0.00 C ATOM 970 O PHE A 84 70.484 43.800 -20.467 1.00 0.00 O ATOM 971 CB PHE A 84 70.344 41.015 -22.365 1.00 0.00 C ATOM 972 CG PHE A 84 69.466 41.879 -23.258 1.00 0.00 C ATOM 973 CD1 PHE A 84 70.046 42.858 -24.090 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.074 41.669 -23.309 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.260 43.580 -24.999 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.280 42.415 -24.200 1.00 0.00 C ATOM 977 CZ PHE A 84 67.873 43.364 -25.054 1.00 0.00 C ATOM 0 H PHE A 84 72.146 39.921 -21.087 1.00 0.00 H new ATOM 0 HA PHE A 84 71.827 42.554 -22.078 1.00 0.00 H new ATOM 0 HB2 PHE A 84 70.918 40.332 -22.991 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.704 40.403 -21.730 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.106 43.054 -24.027 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.615 40.935 -22.663 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.721 44.302 -25.657 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.212 42.259 -24.229 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.264 43.924 -25.749 1.00 0.00 H new ATOM 987 N ASN A 85 70.036 41.904 -19.360 1.00 0.00 N ATOM 988 CA ASN A 85 69.213 42.538 -18.328 1.00 0.00 C ATOM 989 C ASN A 85 70.023 43.502 -17.436 1.00 0.00 C ATOM 990 O ASN A 85 69.576 44.619 -17.150 1.00 0.00 O ATOM 991 CB ASN A 85 68.541 41.430 -17.500 1.00 0.00 C ATOM 992 CG ASN A 85 67.603 42.006 -16.452 1.00 0.00 C ATOM 993 OD1 ASN A 85 67.924 42.083 -15.275 1.00 0.00 O ATOM 994 ND2 ASN A 85 66.425 42.440 -16.843 1.00 0.00 N ATOM 0 H ASN A 85 70.173 40.903 -19.220 1.00 0.00 H new ATOM 0 HA ASN A 85 68.454 43.155 -18.809 1.00 0.00 H new ATOM 0 HB2 ASN A 85 67.984 40.767 -18.162 1.00 0.00 H new ATOM 0 HB3 ASN A 85 69.305 40.825 -17.012 1.00 0.00 H new ATOM 0 HD21 ASN A 85 65.778 42.841 -16.164 1.00 0.00 H new ATOM 0 HD22 ASN A 85 66.158 42.375 -17.825 1.00 0.00 H new ATOM 1001 N GLU A 86 71.231 43.090 -17.029 1.00 0.00 N ATOM 1002 CA GLU A 86 72.137 43.946 -16.263 1.00 0.00 C ATOM 1003 C GLU A 86 72.579 45.146 -17.104 1.00 0.00 C ATOM 1004 O GLU A 86 72.489 46.273 -16.617 1.00 0.00 O ATOM 1005 CB GLU A 86 73.346 43.150 -15.751 1.00 0.00 C ATOM 1006 CG GLU A 86 74.209 43.979 -14.794 1.00 0.00 C ATOM 1007 CD GLU A 86 75.358 43.129 -14.219 1.00 0.00 C ATOM 1008 OE1 GLU A 86 76.448 43.074 -14.839 1.00 0.00 O ATOM 1009 OE2 GLU A 86 75.182 42.519 -13.136 1.00 0.00 O ATOM 0 H GLU A 86 71.603 42.160 -17.221 1.00 0.00 H new ATOM 0 HA GLU A 86 71.599 44.322 -15.393 1.00 0.00 H new ATOM 0 HB2 GLU A 86 73.000 42.251 -15.242 1.00 0.00 H new ATOM 0 HB3 GLU A 86 73.951 42.824 -16.597 1.00 0.00 H new ATOM 0 HG2 GLU A 86 74.617 44.842 -15.320 1.00 0.00 H new ATOM 0 HG3 GLU A 86 73.593 44.363 -13.981 1.00 0.00 H new ATOM 1016 N TRP A 87 72.974 44.945 -18.372 1.00 0.00 N ATOM 1017 CA TRP A 87 73.262 46.069 -19.253 1.00 0.00 C ATOM 1018 C TRP A 87 72.048 46.980 -19.416 1.00 0.00 C ATOM 1019 O TRP A 87 72.220 48.170 -19.232 1.00 0.00 O ATOM 1020 CB TRP A 87 73.761 45.594 -20.612 1.00 0.00 C ATOM 1021 CG TRP A 87 73.869 46.669 -21.646 1.00 0.00 C ATOM 1022 CD1 TRP A 87 74.868 47.569 -21.790 1.00 0.00 C ATOM 1023 CD2 TRP A 87 72.954 46.913 -22.750 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.621 48.361 -22.895 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.475 47.969 -23.553 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.785 46.273 -23.199 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 72.900 48.329 -24.778 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.195 46.639 -24.418 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.743 47.661 -25.212 1.00 0.00 C ATOM 0 H TRP A 87 73.097 44.026 -18.797 1.00 0.00 H new ATOM 0 HA TRP A 87 74.056 46.649 -18.783 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.740 45.132 -20.484 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.089 44.819 -20.981 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.727 47.655 -21.141 1.00 0.00 H new ATOM 0 HE1 TRP A 87 75.213 49.139 -23.187 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.338 45.493 -22.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.340 49.110 -25.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.305 46.127 -24.752 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.278 47.931 -26.149 1.00 0.00 H new ATOM 1040 N GLU A 88 70.838 46.483 -19.680 1.00 0.00 N ATOM 1041 CA GLU A 88 69.639 47.320 -19.821 1.00 0.00 C ATOM 1042 C GLU A 88 69.392 48.219 -18.595 1.00 0.00 C ATOM 1043 O GLU A 88 69.207 49.425 -18.754 1.00 0.00 O ATOM 1044 CB GLU A 88 68.396 46.450 -20.070 1.00 0.00 C ATOM 1045 CG GLU A 88 68.211 46.016 -21.528 1.00 0.00 C ATOM 1046 CD GLU A 88 66.849 45.308 -21.701 1.00 0.00 C ATOM 1047 OE1 GLU A 88 66.597 44.264 -21.046 1.00 0.00 O ATOM 1048 OE2 GLU A 88 65.994 45.819 -22.468 1.00 0.00 O ATOM 0 H GLU A 88 70.659 45.486 -19.803 1.00 0.00 H new ATOM 0 HA GLU A 88 69.818 47.968 -20.679 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.458 45.560 -19.444 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.511 47.002 -19.753 1.00 0.00 H new ATOM 0 HG2 GLU A 88 68.264 46.885 -22.184 1.00 0.00 H new ATOM 0 HG3 GLU A 88 69.018 45.345 -21.821 1.00 0.00 H new ATOM 1055 N GLU A 89 69.420 47.679 -17.371 1.00 0.00 N ATOM 1056 CA GLU A 89 69.217 48.464 -16.156 1.00 0.00 C ATOM 1057 C GLU A 89 70.333 49.511 -15.937 1.00 0.00 C ATOM 1058 O GLU A 89 70.077 50.719 -15.791 1.00 0.00 O ATOM 1059 CB GLU A 89 69.119 47.462 -14.996 1.00 0.00 C ATOM 1060 CG GLU A 89 68.681 48.166 -13.722 1.00 0.00 C ATOM 1061 CD GLU A 89 68.489 47.167 -12.564 1.00 0.00 C ATOM 1062 OE1 GLU A 89 69.479 46.845 -11.863 1.00 0.00 O ATOM 1063 OE2 GLU A 89 67.343 46.706 -12.338 1.00 0.00 O ATOM 0 H GLU A 89 69.584 46.687 -17.199 1.00 0.00 H new ATOM 0 HA GLU A 89 68.302 49.052 -16.231 1.00 0.00 H new ATOM 0 HB2 GLU A 89 68.408 46.675 -15.247 1.00 0.00 H new ATOM 0 HB3 GLU A 89 70.085 46.982 -14.840 1.00 0.00 H new ATOM 0 HG2 GLU A 89 69.426 48.911 -13.442 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.748 48.700 -13.902 1.00 0.00 H new ATOM 1070 N ARG A 90 71.593 49.056 -15.987 1.00 0.00 N ATOM 1071 CA ARG A 90 72.765 49.926 -15.847 1.00 0.00 C ATOM 1072 C ARG A 90 72.755 51.007 -16.912 1.00 0.00 C ATOM 1073 O ARG A 90 72.874 52.167 -16.577 1.00 0.00 O ATOM 1074 CB ARG A 90 74.059 49.114 -15.952 1.00 0.00 C ATOM 1075 CG ARG A 90 74.269 48.139 -14.793 1.00 0.00 C ATOM 1076 CD ARG A 90 74.558 48.796 -13.434 1.00 0.00 C ATOM 1077 NE ARG A 90 75.745 49.672 -13.486 1.00 0.00 N ATOM 1078 CZ ARG A 90 76.777 49.727 -12.668 1.00 0.00 C ATOM 1079 NH1 ARG A 90 76.913 48.956 -11.625 1.00 0.00 N ATOM 1080 NH2 ARG A 90 77.701 50.602 -12.921 1.00 0.00 N ATOM 0 H ARG A 90 71.826 48.073 -16.126 1.00 0.00 H new ATOM 0 HA ARG A 90 72.720 50.393 -14.863 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.052 48.556 -16.888 1.00 0.00 H new ATOM 0 HB3 ARG A 90 74.905 49.800 -15.996 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.380 47.516 -14.696 1.00 0.00 H new ATOM 0 HG3 ARG A 90 75.097 47.475 -15.042 1.00 0.00 H new ATOM 0 HD2 ARG A 90 73.691 49.378 -13.121 1.00 0.00 H new ATOM 0 HD3 ARG A 90 74.711 48.022 -12.682 1.00 0.00 H new ATOM 0 HE ARG A 90 75.770 50.328 -14.266 1.00 0.00 H new ATOM 0 HH11 ARG A 90 76.197 48.263 -11.406 1.00 0.00 H new ATOM 0 HH12 ARG A 90 77.735 49.046 -11.028 1.00 0.00 H new ATOM 0 HH21 ARG A 90 77.613 51.217 -13.730 1.00 0.00 H new ATOM 0 HH22 ARG A 90 78.515 50.675 -12.311 1.00 0.00 H new ATOM 1094 N LYS A 91 72.520 50.652 -18.171 1.00 0.00 N ATOM 1095 CA LYS A 91 72.419 51.569 -19.327 1.00 0.00 C ATOM 1096 C LYS A 91 71.296 52.598 -19.182 1.00 0.00 C ATOM 1097 O LYS A 91 71.500 53.754 -19.549 1.00 0.00 O ATOM 1098 CB LYS A 91 72.206 50.744 -20.618 1.00 0.00 C ATOM 1099 CG LYS A 91 72.092 51.474 -21.971 1.00 0.00 C ATOM 1100 CD LYS A 91 73.456 51.875 -22.545 1.00 0.00 C ATOM 1101 CE LYS A 91 73.448 52.054 -24.071 1.00 0.00 C ATOM 1102 NZ LYS A 91 72.892 53.354 -24.532 1.00 0.00 N ATOM 0 H LYS A 91 72.387 49.676 -18.437 1.00 0.00 H new ATOM 0 HA LYS A 91 73.353 52.128 -19.376 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.033 50.038 -20.696 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.297 50.157 -20.485 1.00 0.00 H new ATOM 0 HG2 LYS A 91 71.578 50.830 -22.684 1.00 0.00 H new ATOM 0 HG3 LYS A 91 71.478 52.366 -21.847 1.00 0.00 H new ATOM 0 HD2 LYS A 91 73.778 52.806 -22.079 1.00 0.00 H new ATOM 0 HD3 LYS A 91 74.191 51.115 -22.280 1.00 0.00 H new ATOM 0 HE2 LYS A 91 74.468 51.957 -24.442 1.00 0.00 H new ATOM 0 HE3 LYS A 91 72.868 51.246 -24.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 72.875 53.375 -25.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 71.924 53.467 -24.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 73.487 54.131 -24.180 1.00 0.00 H new ATOM 1116 N LYS A 92 70.142 52.230 -18.607 1.00 0.00 N ATOM 1117 CA LYS A 92 69.093 53.200 -18.235 1.00 0.00 C ATOM 1118 C LYS A 92 69.584 54.194 -17.170 1.00 0.00 C ATOM 1119 O LYS A 92 69.192 55.361 -17.220 1.00 0.00 O ATOM 1120 CB LYS A 92 67.807 52.475 -17.801 1.00 0.00 C ATOM 1121 CG LYS A 92 67.036 51.930 -19.018 1.00 0.00 C ATOM 1122 CD LYS A 92 65.853 51.025 -18.635 1.00 0.00 C ATOM 1123 CE LYS A 92 64.757 51.788 -17.871 1.00 0.00 C ATOM 1124 NZ LYS A 92 63.572 50.925 -17.598 1.00 0.00 N ATOM 0 H LYS A 92 69.907 51.262 -18.387 1.00 0.00 H new ATOM 0 HA LYS A 92 68.855 53.790 -19.120 1.00 0.00 H new ATOM 0 HB2 LYS A 92 68.058 51.654 -17.129 1.00 0.00 H new ATOM 0 HB3 LYS A 92 67.171 53.161 -17.242 1.00 0.00 H new ATOM 0 HG2 LYS A 92 66.667 52.768 -19.610 1.00 0.00 H new ATOM 0 HG3 LYS A 92 67.722 51.369 -19.653 1.00 0.00 H new ATOM 0 HD2 LYS A 92 65.426 50.588 -19.538 1.00 0.00 H new ATOM 0 HD3 LYS A 92 66.214 50.200 -18.021 1.00 0.00 H new ATOM 0 HE2 LYS A 92 65.161 52.159 -16.929 1.00 0.00 H new ATOM 0 HE3 LYS A 92 64.448 52.658 -18.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 62.855 51.473 -17.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 63.171 50.591 -18.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 63.862 50.108 -17.024 1.00 0.00 H new ATOM 1138 N SER A 93 70.496 53.784 -16.280 1.00 0.00 N ATOM 1139 CA SER A 93 71.261 54.725 -15.425 1.00 0.00 C ATOM 1140 C SER A 93 72.519 55.367 -16.077 1.00 0.00 C ATOM 1141 O SER A 93 72.989 56.403 -15.600 1.00 0.00 O ATOM 1142 CB SER A 93 71.660 54.042 -14.110 1.00 0.00 C ATOM 1143 OG SER A 93 70.503 53.662 -13.376 1.00 0.00 O ATOM 0 H SER A 93 70.729 52.803 -16.126 1.00 0.00 H new ATOM 0 HA SER A 93 70.574 55.553 -15.253 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.270 53.163 -14.320 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.271 54.719 -13.513 1.00 0.00 H new ATOM 0 HG SER A 93 70.774 53.226 -12.541 1.00 0.00 H new ATOM 1149 N GLU A 94 73.075 54.781 -17.143 1.00 0.00 N ATOM 1150 CA GLU A 94 74.432 55.015 -17.682 1.00 0.00 C ATOM 1151 C GLU A 94 74.448 54.911 -19.226 1.00 0.00 C ATOM 1152 O GLU A 94 74.870 53.887 -19.778 1.00 0.00 O ATOM 1153 CB GLU A 94 75.438 53.987 -17.108 1.00 0.00 C ATOM 1154 CG GLU A 94 75.469 53.925 -15.585 1.00 0.00 C ATOM 1155 CD GLU A 94 76.633 53.051 -15.084 1.00 0.00 C ATOM 1156 OE1 GLU A 94 76.526 51.801 -15.127 1.00 0.00 O ATOM 1157 OE2 GLU A 94 77.652 53.590 -14.591 1.00 0.00 O ATOM 0 H GLU A 94 72.564 54.088 -17.690 1.00 0.00 H new ATOM 0 HA GLU A 94 74.724 56.022 -17.385 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.191 52.999 -17.496 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.436 54.231 -17.471 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.567 54.932 -15.180 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.525 53.524 -15.216 1.00 0.00 H new ATOM 1164 N PRO A 95 73.989 55.936 -19.970 1.00 0.00 N ATOM 1165 CA PRO A 95 73.784 55.832 -21.419 1.00 0.00 C ATOM 1166 C PRO A 95 75.038 55.418 -22.222 1.00 0.00 C ATOM 1167 O PRO A 95 74.911 54.782 -23.266 1.00 0.00 O ATOM 1168 CB PRO A 95 73.216 57.194 -21.848 1.00 0.00 C ATOM 1169 CG PRO A 95 73.561 58.141 -20.698 1.00 0.00 C ATOM 1170 CD PRO A 95 73.524 57.223 -19.482 1.00 0.00 C ATOM 0 HA PRO A 95 73.096 55.017 -21.643 1.00 0.00 H new ATOM 0 HB2 PRO A 95 73.661 57.531 -22.785 1.00 0.00 H new ATOM 0 HB3 PRO A 95 72.139 57.141 -22.007 1.00 0.00 H new ATOM 0 HG2 PRO A 95 74.542 58.598 -20.830 1.00 0.00 H new ATOM 0 HG3 PRO A 95 72.840 58.954 -20.613 1.00 0.00 H new ATOM 0 HD2 PRO A 95 74.165 57.598 -18.684 1.00 0.00 H new ATOM 0 HD3 PRO A 95 72.516 57.150 -19.073 1.00 0.00 H new ATOM 1178 N TRP A 96 76.245 55.660 -21.701 1.00 0.00 N ATOM 1179 CA TRP A 96 77.523 55.280 -22.318 1.00 0.00 C ATOM 1180 C TRP A 96 77.861 53.769 -22.306 1.00 0.00 C ATOM 1181 O TRP A 96 78.874 53.381 -22.894 1.00 0.00 O ATOM 1182 CB TRP A 96 78.629 56.090 -21.624 1.00 0.00 C ATOM 1183 CG TRP A 96 78.682 55.936 -20.132 1.00 0.00 C ATOM 1184 CD1 TRP A 96 79.347 54.967 -19.459 1.00 0.00 C ATOM 1185 CD2 TRP A 96 78.017 56.744 -19.109 1.00 0.00 C ATOM 1186 NE1 TRP A 96 79.141 55.118 -18.100 1.00 0.00 N ATOM 1187 CE2 TRP A 96 78.319 56.192 -17.828 1.00 0.00 C ATOM 1188 CE3 TRP A 96 77.180 57.882 -19.136 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.807 56.729 -16.638 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 76.662 58.431 -17.947 1.00 0.00 C ATOM 1191 CH2 TRP A 96 76.968 57.855 -16.700 1.00 0.00 C ATOM 0 H TRP A 96 76.365 56.141 -20.810 1.00 0.00 H new ATOM 0 HA TRP A 96 77.441 55.510 -23.380 1.00 0.00 H new ATOM 0 HB2 TRP A 96 79.592 55.794 -22.040 1.00 0.00 H new ATOM 0 HB3 TRP A 96 78.490 57.145 -21.861 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.947 54.193 -19.915 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.546 54.511 -17.387 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.934 58.338 -20.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 78.054 56.283 -15.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 76.024 59.302 -17.993 1.00 0.00 H new ATOM 0 HH2 TRP A 96 76.559 58.277 -15.794 1.00 0.00 H new ATOM 1202 N LEU A 97 77.087 52.893 -21.646 1.00 0.00 N ATOM 1203 CA LEU A 97 77.474 51.495 -21.436 1.00 0.00 C ATOM 1204 C LEU A 97 77.448 50.634 -22.718 1.00 0.00 C ATOM 1205 O LEU A 97 76.444 50.590 -23.433 1.00 0.00 O ATOM 1206 CB LEU A 97 76.579 50.896 -20.337 1.00 0.00 C ATOM 1207 CG LEU A 97 77.171 49.648 -19.677 1.00 0.00 C ATOM 1208 CD1 LEU A 97 78.441 49.925 -18.868 1.00 0.00 C ATOM 1209 CD2 LEU A 97 76.137 49.057 -18.724 1.00 0.00 C ATOM 0 H LEU A 97 76.181 53.135 -21.246 1.00 0.00 H new ATOM 0 HA LEU A 97 78.518 51.486 -21.122 1.00 0.00 H new ATOM 0 HB2 LEU A 97 76.402 51.652 -19.572 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.609 50.644 -20.767 1.00 0.00 H new ATOM 0 HG LEU A 97 77.434 48.966 -20.486 1.00 0.00 H new ATOM 0 HD11 LEU A 97 78.803 48.995 -18.430 1.00 0.00 H new ATOM 0 HD12 LEU A 97 79.207 50.340 -19.524 1.00 0.00 H new ATOM 0 HD13 LEU A 97 78.218 50.638 -18.074 1.00 0.00 H new ATOM 0 HD21 LEU A 97 76.548 48.167 -18.248 1.00 0.00 H new ATOM 0 HD22 LEU A 97 75.883 49.793 -17.961 1.00 0.00 H new ATOM 0 HD23 LEU A 97 75.240 48.789 -19.282 1.00 0.00 H new ATOM 1221 N ARG A 98 78.525 49.872 -22.961 1.00 0.00 N ATOM 1222 CA ARG A 98 78.657 48.929 -24.094 1.00 0.00 C ATOM 1223 C ARG A 98 78.114 47.520 -23.794 1.00 0.00 C ATOM 1224 O ARG A 98 77.963 47.137 -22.636 1.00 0.00 O ATOM 1225 CB ARG A 98 80.111 48.929 -24.606 1.00 0.00 C ATOM 1226 CG ARG A 98 81.138 48.371 -23.604 1.00 0.00 C ATOM 1227 CD ARG A 98 82.559 48.466 -24.173 1.00 0.00 C ATOM 1228 NE ARG A 98 83.561 47.980 -23.201 1.00 0.00 N ATOM 1229 CZ ARG A 98 84.875 47.999 -23.345 1.00 0.00 C ATOM 1230 NH1 ARG A 98 85.448 48.456 -24.424 1.00 0.00 N ATOM 1231 NH2 ARG A 98 85.650 47.554 -22.397 1.00 0.00 N ATOM 0 H ARG A 98 79.351 49.891 -22.363 1.00 0.00 H new ATOM 0 HA ARG A 98 78.015 49.285 -24.899 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.160 48.342 -25.523 1.00 0.00 H new ATOM 0 HB3 ARG A 98 80.392 49.950 -24.865 1.00 0.00 H new ATOM 0 HG2 ARG A 98 81.078 48.926 -22.668 1.00 0.00 H new ATOM 0 HG3 ARG A 98 80.902 47.332 -23.374 1.00 0.00 H new ATOM 0 HD2 ARG A 98 82.625 47.881 -25.090 1.00 0.00 H new ATOM 0 HD3 ARG A 98 82.778 49.500 -24.438 1.00 0.00 H new ATOM 0 HE ARG A 98 83.202 47.590 -22.330 1.00 0.00 H new ATOM 0 HH11 ARG A 98 84.879 48.814 -25.191 1.00 0.00 H new ATOM 0 HH12 ARG A 98 86.465 48.455 -24.501 1.00 0.00 H new ATOM 0 HH21 ARG A 98 85.244 47.188 -21.536 1.00 0.00 H new ATOM 0 HH22 ARG A 98 86.663 47.572 -22.516 1.00 0.00 H new ATOM 1245 N LEU A 99 77.824 46.766 -24.858 1.00 0.00 N ATOM 1246 CA LEU A 99 77.109 45.481 -24.857 1.00 0.00 C ATOM 1247 C LEU A 99 77.777 44.505 -25.847 1.00 0.00 C ATOM 1248 O LEU A 99 78.011 44.862 -27.003 1.00 0.00 O ATOM 1249 CB LEU A 99 75.650 45.813 -25.234 1.00 0.00 C ATOM 1250 CG LEU A 99 74.560 44.726 -25.240 1.00 0.00 C ATOM 1251 CD1 LEU A 99 74.683 43.842 -26.485 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.501 43.920 -23.944 1.00 0.00 C ATOM 0 H LEU A 99 78.097 47.050 -25.799 1.00 0.00 H new ATOM 0 HA LEU A 99 77.138 44.983 -23.888 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.315 46.595 -24.553 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.671 46.248 -26.233 1.00 0.00 H new ATOM 0 HG LEU A 99 73.599 45.237 -25.291 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.903 43.081 -26.469 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.573 44.456 -27.379 1.00 0.00 H new ATOM 0 HD13 LEU A 99 75.661 43.360 -26.494 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.712 43.172 -24.016 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.457 43.423 -23.780 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.292 44.589 -23.109 1.00 0.00 H new ATOM 1264 N ASP A 100 78.078 43.279 -25.406 1.00 0.00 N ATOM 1265 CA ASP A 100 78.681 42.222 -26.238 1.00 0.00 C ATOM 1266 C ASP A 100 78.206 40.824 -25.799 1.00 0.00 C ATOM 1267 O ASP A 100 78.148 40.539 -24.603 1.00 0.00 O ATOM 1268 CB ASP A 100 80.215 42.333 -26.173 1.00 0.00 C ATOM 1269 CG ASP A 100 80.942 41.344 -27.104 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.369 40.935 -28.142 1.00 0.00 O ATOM 1271 OD2 ASP A 100 82.109 40.993 -26.806 1.00 0.00 O ATOM 0 H ASP A 100 77.908 42.984 -24.444 1.00 0.00 H new ATOM 0 HA ASP A 100 78.358 42.359 -27.270 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.509 43.349 -26.435 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.541 42.161 -25.147 1.00 0.00 H new ATOM 1276 N MET A 101 77.839 39.963 -26.759 1.00 0.00 N ATOM 1277 CA MET A 101 77.156 38.677 -26.519 1.00 0.00 C ATOM 1278 C MET A 101 77.801 37.462 -27.221 1.00 0.00 C ATOM 1279 O MET A 101 77.288 36.348 -27.097 1.00 0.00 O ATOM 1280 CB MET A 101 75.679 38.809 -26.929 1.00 0.00 C ATOM 1281 CG MET A 101 74.907 39.803 -26.056 1.00 0.00 C ATOM 1282 SD MET A 101 73.174 39.957 -26.551 1.00 0.00 S ATOM 1283 CE MET A 101 72.574 41.053 -25.244 1.00 0.00 C ATOM 0 H MET A 101 78.011 40.143 -27.748 1.00 0.00 H new ATOM 0 HA MET A 101 77.252 38.471 -25.453 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.623 39.127 -27.970 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.201 37.831 -26.868 1.00 0.00 H new ATOM 0 HG2 MET A 101 74.957 39.483 -25.015 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.386 40.780 -26.113 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.658 40.644 -24.818 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.331 41.137 -24.464 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.371 42.040 -25.661 1.00 0.00 H new ATOM 1293 N SER A 102 78.910 37.644 -27.946 1.00 0.00 N ATOM 1294 CA SER A 102 79.655 36.543 -28.582 1.00 0.00 C ATOM 1295 C SER A 102 80.207 35.558 -27.541 1.00 0.00 C ATOM 1296 O SER A 102 80.523 35.949 -26.418 1.00 0.00 O ATOM 1297 CB SER A 102 80.803 37.089 -29.439 1.00 0.00 C ATOM 1298 OG SER A 102 80.287 37.871 -30.509 1.00 0.00 O ATOM 0 H SER A 102 79.321 38.563 -28.111 1.00 0.00 H new ATOM 0 HA SER A 102 78.955 36.006 -29.222 1.00 0.00 H new ATOM 0 HB2 SER A 102 81.469 37.694 -28.825 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.396 36.264 -29.834 1.00 0.00 H new ATOM 0 HG SER A 102 81.028 38.216 -31.049 1.00 0.00 H new ATOM 1304 N ASP A 103 80.366 34.283 -27.909 1.00 0.00 N ATOM 1305 CA ASP A 103 80.780 33.199 -26.996 1.00 0.00 C ATOM 1306 C ASP A 103 82.043 33.505 -26.165 1.00 0.00 C ATOM 1307 O ASP A 103 82.069 33.228 -24.963 1.00 0.00 O ATOM 1308 CB ASP A 103 80.912 31.877 -27.776 1.00 0.00 C ATOM 1309 CG ASP A 103 82.012 31.819 -28.864 1.00 0.00 C ATOM 1310 OD1 ASP A 103 82.574 32.867 -29.270 1.00 0.00 O ATOM 1311 OD2 ASP A 103 82.281 30.701 -29.366 1.00 0.00 O ATOM 0 H ASP A 103 80.209 33.964 -28.865 1.00 0.00 H new ATOM 0 HA ASP A 103 79.988 33.105 -26.253 1.00 0.00 H new ATOM 0 HB2 ASP A 103 81.099 31.077 -27.060 1.00 0.00 H new ATOM 0 HB3 ASP A 103 79.954 31.664 -28.249 1.00 0.00 H new ATOM 1316 N LYS A 104 83.033 34.186 -26.756 1.00 0.00 N ATOM 1317 CA LYS A 104 84.246 34.687 -26.083 1.00 0.00 C ATOM 1318 C LYS A 104 83.941 35.534 -24.842 1.00 0.00 C ATOM 1319 O LYS A 104 84.599 35.362 -23.818 1.00 0.00 O ATOM 1320 CB LYS A 104 85.092 35.461 -27.109 1.00 0.00 C ATOM 1321 CG LYS A 104 86.505 35.770 -26.580 1.00 0.00 C ATOM 1322 CD LYS A 104 87.390 36.507 -27.599 1.00 0.00 C ATOM 1323 CE LYS A 104 87.739 35.637 -28.818 1.00 0.00 C ATOM 1324 NZ LYS A 104 88.667 36.340 -29.747 1.00 0.00 N ATOM 0 H LYS A 104 83.014 34.413 -27.750 1.00 0.00 H new ATOM 0 HA LYS A 104 84.809 33.832 -25.708 1.00 0.00 H new ATOM 0 HB2 LYS A 104 85.169 34.879 -28.028 1.00 0.00 H new ATOM 0 HB3 LYS A 104 84.589 36.394 -27.363 1.00 0.00 H new ATOM 0 HG2 LYS A 104 86.423 36.375 -25.677 1.00 0.00 H new ATOM 0 HG3 LYS A 104 86.991 34.837 -26.296 1.00 0.00 H new ATOM 0 HD2 LYS A 104 86.877 37.408 -27.935 1.00 0.00 H new ATOM 0 HD3 LYS A 104 88.310 36.827 -27.111 1.00 0.00 H new ATOM 0 HE2 LYS A 104 88.196 34.706 -28.482 1.00 0.00 H new ATOM 0 HE3 LYS A 104 86.825 35.370 -29.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 88.880 35.724 -30.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 88.221 37.216 -30.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 89.549 36.572 -29.247 1.00 0.00 H new ATOM 1338 N ALA A 105 82.916 36.387 -24.890 1.00 0.00 N ATOM 1339 CA ALA A 105 82.475 37.192 -23.746 1.00 0.00 C ATOM 1340 C ALA A 105 82.014 36.319 -22.571 1.00 0.00 C ATOM 1341 O ALA A 105 82.342 36.603 -21.421 1.00 0.00 O ATOM 1342 CB ALA A 105 81.384 38.173 -24.199 1.00 0.00 C ATOM 0 H ALA A 105 82.362 36.541 -25.732 1.00 0.00 H new ATOM 0 HA ALA A 105 83.325 37.765 -23.376 1.00 0.00 H new ATOM 0 HB1 ALA A 105 81.057 38.771 -23.349 1.00 0.00 H new ATOM 0 HB2 ALA A 105 81.783 38.830 -24.972 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.537 37.616 -24.598 1.00 0.00 H new ATOM 1348 N ILE A 106 81.321 35.215 -22.856 1.00 0.00 N ATOM 1349 CA ILE A 106 80.817 34.291 -21.833 1.00 0.00 C ATOM 1350 C ILE A 106 81.984 33.481 -21.264 1.00 0.00 C ATOM 1351 O ILE A 106 82.120 33.415 -20.048 1.00 0.00 O ATOM 1352 CB ILE A 106 79.667 33.418 -22.390 1.00 0.00 C ATOM 1353 CG1 ILE A 106 78.362 34.224 -22.589 1.00 0.00 C ATOM 1354 CG2 ILE A 106 79.339 32.251 -21.435 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.424 35.411 -23.563 1.00 0.00 C ATOM 0 H ILE A 106 81.091 34.933 -23.809 1.00 0.00 H new ATOM 0 HA ILE A 106 80.379 34.851 -21.006 1.00 0.00 H new ATOM 0 HB ILE A 106 80.021 33.046 -23.351 1.00 0.00 H new ATOM 0 HG12 ILE A 106 77.589 33.539 -22.937 1.00 0.00 H new ATOM 0 HG13 ILE A 106 78.042 34.598 -21.617 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.527 31.656 -21.853 1.00 0.00 H new ATOM 0 HG22 ILE A 106 80.222 31.624 -21.310 1.00 0.00 H new ATOM 0 HG23 ILE A 106 79.036 32.648 -20.466 1.00 0.00 H new ATOM 0 HD11 ILE A 106 77.447 35.892 -23.613 1.00 0.00 H new ATOM 0 HD12 ILE A 106 79.165 36.130 -23.213 1.00 0.00 H new ATOM 0 HD13 ILE A 106 78.704 35.054 -24.554 1.00 0.00 H new ATOM 1367 N PHE A 107 82.876 32.958 -22.109 1.00 0.00 N ATOM 1368 CA PHE A 107 84.087 32.252 -21.655 1.00 0.00 C ATOM 1369 C PHE A 107 84.949 33.118 -20.719 1.00 0.00 C ATOM 1370 O PHE A 107 85.422 32.648 -19.684 1.00 0.00 O ATOM 1371 CB PHE A 107 84.966 31.846 -22.850 1.00 0.00 C ATOM 1372 CG PHE A 107 84.341 31.072 -23.996 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.209 30.250 -23.825 1.00 0.00 C ATOM 1374 CD2 PHE A 107 84.948 31.168 -25.263 1.00 0.00 C ATOM 1375 CE1 PHE A 107 82.688 29.536 -24.920 1.00 0.00 C ATOM 1376 CE2 PHE A 107 84.427 30.454 -26.355 1.00 0.00 C ATOM 1377 CZ PHE A 107 83.301 29.631 -26.182 1.00 0.00 C ATOM 0 H PHE A 107 82.784 33.009 -23.124 1.00 0.00 H new ATOM 0 HA PHE A 107 83.737 31.372 -21.115 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.397 32.757 -23.265 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.792 31.250 -22.463 1.00 0.00 H new ATOM 0 HD1 PHE A 107 82.742 30.168 -22.855 1.00 0.00 H new ATOM 0 HD2 PHE A 107 85.818 31.794 -25.396 1.00 0.00 H new ATOM 0 HE1 PHE A 107 81.815 28.913 -24.791 1.00 0.00 H new ATOM 0 HE2 PHE A 107 84.891 30.537 -27.327 1.00 0.00 H new ATOM 0 HZ PHE A 107 82.907 29.072 -27.018 1.00 0.00 H new ATOM 1387 N ARG A 108 85.149 34.394 -21.082 1.00 0.00 N ATOM 1388 CA ARG A 108 86.030 35.338 -20.386 1.00 0.00 C ATOM 1389 C ARG A 108 85.415 35.863 -19.084 1.00 0.00 C ATOM 1390 O ARG A 108 86.130 35.977 -18.089 1.00 0.00 O ATOM 1391 CB ARG A 108 86.401 36.420 -21.421 1.00 0.00 C ATOM 1392 CG ARG A 108 87.632 37.280 -21.094 1.00 0.00 C ATOM 1393 CD ARG A 108 87.351 38.622 -20.398 1.00 0.00 C ATOM 1394 NE ARG A 108 87.101 38.477 -18.951 1.00 0.00 N ATOM 1395 CZ ARG A 108 86.750 39.423 -18.099 1.00 0.00 C ATOM 1396 NH1 ARG A 108 86.589 40.662 -18.464 1.00 0.00 N ATOM 1397 NH2 ARG A 108 86.548 39.125 -16.847 1.00 0.00 N ATOM 0 H ARG A 108 84.688 34.808 -21.892 1.00 0.00 H new ATOM 0 HA ARG A 108 86.942 34.858 -20.031 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.570 35.932 -22.381 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.544 37.082 -21.546 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.300 36.697 -20.460 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.168 37.480 -22.022 1.00 0.00 H new ATOM 0 HD2 ARG A 108 88.200 39.289 -20.550 1.00 0.00 H new ATOM 0 HD3 ARG A 108 86.487 39.094 -20.865 1.00 0.00 H new ATOM 0 HE ARG A 108 87.212 37.539 -18.565 1.00 0.00 H new ATOM 0 HH11 ARG A 108 86.735 40.930 -19.437 1.00 0.00 H new ATOM 0 HH12 ARG A 108 86.317 41.365 -17.777 1.00 0.00 H new ATOM 0 HH21 ARG A 108 86.661 38.163 -16.527 1.00 0.00 H new ATOM 0 HH22 ARG A 108 86.277 39.854 -16.187 1.00 0.00 H new ATOM 1411 N ARG A 109 84.107 36.152 -19.059 1.00 0.00 N ATOM 1412 CA ARG A 109 83.376 36.569 -17.839 1.00 0.00 C ATOM 1413 C ARG A 109 83.112 35.402 -16.879 1.00 0.00 C ATOM 1414 O ARG A 109 83.179 35.580 -15.664 1.00 0.00 O ATOM 1415 CB ARG A 109 82.045 37.236 -18.228 1.00 0.00 C ATOM 1416 CG ARG A 109 82.252 38.612 -18.880 1.00 0.00 C ATOM 1417 CD ARG A 109 80.918 39.185 -19.371 1.00 0.00 C ATOM 1418 NE ARG A 109 81.101 40.528 -19.961 1.00 0.00 N ATOM 1419 CZ ARG A 109 81.110 41.692 -19.333 1.00 0.00 C ATOM 1420 NH1 ARG A 109 80.937 41.794 -18.047 1.00 0.00 N ATOM 1421 NH2 ARG A 109 81.303 42.794 -20.000 1.00 0.00 N ATOM 0 H ARG A 109 83.515 36.105 -19.888 1.00 0.00 H new ATOM 0 HA ARG A 109 84.012 37.281 -17.313 1.00 0.00 H new ATOM 0 HB2 ARG A 109 81.504 36.588 -18.917 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.423 37.347 -17.340 1.00 0.00 H new ATOM 0 HG2 ARG A 109 82.705 39.296 -18.162 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.945 38.523 -19.716 1.00 0.00 H new ATOM 0 HD2 ARG A 109 80.482 38.515 -20.112 1.00 0.00 H new ATOM 0 HD3 ARG A 109 80.215 39.242 -18.540 1.00 0.00 H new ATOM 0 HE ARG A 109 81.236 40.561 -20.971 1.00 0.00 H new ATOM 0 HH11 ARG A 109 80.787 40.956 -17.485 1.00 0.00 H new ATOM 0 HH12 ARG A 109 80.951 42.712 -17.602 1.00 0.00 H new ATOM 0 HH21 ARG A 109 81.448 42.761 -21.009 1.00 0.00 H new ATOM 0 HH22 ARG A 109 81.309 43.690 -19.513 1.00 0.00 H new ATOM 1435 N TYR A 110 82.835 34.220 -17.431 1.00 0.00 N ATOM 1436 CA TYR A 110 82.354 33.032 -16.723 1.00 0.00 C ATOM 1437 C TYR A 110 83.175 31.784 -17.122 1.00 0.00 C ATOM 1438 O TYR A 110 82.698 30.938 -17.884 1.00 0.00 O ATOM 1439 CB TYR A 110 80.848 32.876 -17.002 1.00 0.00 C ATOM 1440 CG TYR A 110 80.019 34.108 -16.700 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.904 34.571 -15.375 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.395 34.812 -17.749 1.00 0.00 C ATOM 1443 CE1 TYR A 110 79.178 35.747 -15.107 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.651 35.978 -17.480 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.544 36.450 -16.153 1.00 0.00 C ATOM 1446 OH TYR A 110 77.832 37.577 -15.872 1.00 0.00 O ATOM 0 H TYR A 110 82.945 34.057 -18.432 1.00 0.00 H new ATOM 0 HA TYR A 110 82.492 33.145 -15.648 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.712 32.611 -18.050 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.467 32.044 -16.410 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.371 34.026 -14.568 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.487 34.456 -18.764 1.00 0.00 H new ATOM 0 HE1 TYR A 110 79.106 36.114 -14.094 1.00 0.00 H new ATOM 0 HE2 TYR A 110 78.165 36.509 -18.285 1.00 0.00 H new ATOM 0 HH TYR A 110 77.459 37.943 -16.701 1.00 0.00 H new ATOM 1456 N PRO A 111 84.416 31.631 -16.613 1.00 0.00 N ATOM 1457 CA PRO A 111 85.314 30.537 -17.005 1.00 0.00 C ATOM 1458 C PRO A 111 84.822 29.140 -16.583 1.00 0.00 C ATOM 1459 O PRO A 111 85.301 28.134 -17.110 1.00 0.00 O ATOM 1460 CB PRO A 111 86.670 30.888 -16.380 1.00 0.00 C ATOM 1461 CG PRO A 111 86.298 31.737 -15.166 1.00 0.00 C ATOM 1462 CD PRO A 111 85.082 32.515 -15.665 1.00 0.00 C ATOM 0 HA PRO A 111 85.368 30.461 -18.091 1.00 0.00 H new ATOM 0 HB2 PRO A 111 87.221 29.993 -16.090 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.302 31.440 -17.076 1.00 0.00 H new ATOM 0 HG2 PRO A 111 86.058 31.122 -14.299 1.00 0.00 H new ATOM 0 HG3 PRO A 111 87.111 32.401 -14.871 1.00 0.00 H new ATOM 0 HD2 PRO A 111 84.419 32.778 -14.841 1.00 0.00 H new ATOM 0 HD3 PRO A 111 85.382 33.448 -16.142 1.00 0.00 H new ATOM 1470 N HIS A 112 83.842 29.059 -15.673 1.00 0.00 N ATOM 1471 CA HIS A 112 83.159 27.812 -15.304 1.00 0.00 C ATOM 1472 C HIS A 112 82.182 27.309 -16.386 1.00 0.00 C ATOM 1473 O HIS A 112 81.860 26.119 -16.421 1.00 0.00 O ATOM 1474 CB HIS A 112 82.403 28.043 -13.985 1.00 0.00 C ATOM 1475 CG HIS A 112 81.071 28.738 -14.157 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.871 30.062 -14.570 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.860 28.120 -14.050 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.537 30.213 -14.669 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.915 29.070 -14.358 1.00 0.00 N ATOM 0 H HIS A 112 83.496 29.872 -15.164 1.00 0.00 H new ATOM 0 HA HIS A 112 83.918 27.038 -15.195 1.00 0.00 H new ATOM 0 HB2 HIS A 112 82.240 27.082 -13.498 1.00 0.00 H new ATOM 0 HB3 HIS A 112 83.028 28.637 -13.318 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.679 27.091 -13.778 1.00 0.00 H new ATOM 0 HE1 HIS A 112 79.040 31.127 -14.958 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.905 28.927 -14.351 1.00 0.00 H new ATOM 1487 N LEU A 113 81.681 28.214 -17.236 1.00 0.00 N ATOM 1488 CA LEU A 113 80.502 28.012 -18.068 1.00 0.00 C ATOM 1489 C LEU A 113 80.828 27.225 -19.353 1.00 0.00 C ATOM 1490 O LEU A 113 80.213 26.183 -19.608 1.00 0.00 O ATOM 1491 CB LEU A 113 79.925 29.418 -18.336 1.00 0.00 C ATOM 1492 CG LEU A 113 78.443 29.525 -18.704 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.098 28.687 -19.925 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.538 29.176 -17.531 1.00 0.00 C ATOM 0 H LEU A 113 82.103 29.134 -17.363 1.00 0.00 H new ATOM 0 HA LEU A 113 79.759 27.392 -17.567 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.093 30.024 -17.446 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.503 29.869 -19.142 1.00 0.00 H new ATOM 0 HG LEU A 113 78.263 30.569 -18.960 1.00 0.00 H new ATOM 0 HD11 LEU A 113 77.037 28.792 -20.151 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.686 29.027 -20.778 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.324 27.640 -19.723 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.496 29.265 -17.837 1.00 0.00 H new ATOM 0 HD22 LEU A 113 77.736 28.153 -17.210 1.00 0.00 H new ATOM 0 HD23 LEU A 113 77.734 29.859 -16.705 1.00 0.00 H new ATOM 1506 N ARG A 114 81.822 27.710 -20.118 1.00 0.00 N ATOM 1507 CA ARG A 114 82.265 27.184 -21.426 1.00 0.00 C ATOM 1508 C ARG A 114 81.085 26.878 -22.378 1.00 0.00 C ATOM 1509 O ARG A 114 80.862 25.711 -22.777 1.00 0.00 O ATOM 1510 CB ARG A 114 83.251 26.021 -21.192 1.00 0.00 C ATOM 1511 CG ARG A 114 84.086 25.676 -22.437 1.00 0.00 C ATOM 1512 CD ARG A 114 85.039 24.512 -22.134 1.00 0.00 C ATOM 1513 NE ARG A 114 85.835 24.135 -23.319 1.00 0.00 N ATOM 1514 CZ ARG A 114 85.514 23.265 -24.259 1.00 0.00 C ATOM 1515 NH1 ARG A 114 84.378 22.628 -24.265 1.00 0.00 N ATOM 1516 NH2 ARG A 114 86.344 23.019 -25.231 1.00 0.00 N ATOM 1517 OXT ARG A 114 80.393 27.844 -22.776 1.00 0.00 O ATOM 0 H ARG A 114 82.368 28.521 -19.828 1.00 0.00 H new ATOM 0 HA ARG A 114 82.812 27.954 -21.970 1.00 0.00 H new ATOM 0 HB2 ARG A 114 83.922 26.281 -20.373 1.00 0.00 H new ATOM 0 HB3 ARG A 114 82.694 25.138 -20.880 1.00 0.00 H new ATOM 0 HG2 ARG A 114 83.427 25.409 -23.263 1.00 0.00 H new ATOM 0 HG3 ARG A 114 84.657 26.549 -22.754 1.00 0.00 H new ATOM 0 HD2 ARG A 114 85.708 24.792 -21.320 1.00 0.00 H new ATOM 0 HD3 ARG A 114 84.465 23.651 -21.793 1.00 0.00 H new ATOM 0 HE ARG A 114 86.737 24.600 -23.424 1.00 0.00 H new ATOM 0 HH11 ARG A 114 83.697 22.793 -23.524 1.00 0.00 H new ATOM 0 HH12 ARG A 114 84.170 21.964 -25.011 1.00 0.00 H new ATOM 0 HH21 ARG A 114 87.244 23.498 -25.267 1.00 0.00 H new ATOM 0 HH22 ARG A 114 86.095 22.347 -25.957 1.00 0.00 H new