USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=12 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 75 THR OG1 : rot 128:sc= 1.13 USER MOD Set 1.2: A 77 SER OG : rot 180:sc= 0.588 USER MOD Single : A 28 SER OG : rot 32:sc= 0.033 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= 0.0626 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -135:sc= -1.42 (180deg=-5.08!) 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= -1.29 K(o=-1.3,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 171 N SER A 28 127.621 46.684 -39.620 1.00 0.00 N ATOM 172 CA SER A 28 126.751 47.473 -40.515 1.00 0.00 C ATOM 173 C SER A 28 125.330 47.624 -39.943 1.00 0.00 C ATOM 174 O SER A 28 124.913 46.849 -39.076 1.00 0.00 O ATOM 175 CB SER A 28 126.680 46.819 -41.905 1.00 0.00 C ATOM 176 OG SER A 28 127.966 46.763 -42.513 1.00 0.00 O ATOM 0 HA SER A 28 127.190 48.467 -40.600 1.00 0.00 H new ATOM 0 HB2 SER A 28 126.273 45.812 -41.816 1.00 0.00 H new ATOM 0 HB3 SER A 28 125.998 47.383 -42.541 1.00 0.00 H new ATOM 0 HG SER A 28 128.651 46.651 -41.821 1.00 0.00 H new ATOM 182 N VAL A 29 124.576 48.613 -40.439 1.00 0.00 N ATOM 183 CA VAL A 29 123.197 48.935 -40.006 1.00 0.00 C ATOM 184 C VAL A 29 122.209 48.990 -41.180 1.00 0.00 C ATOM 185 O VAL A 29 122.596 49.243 -42.324 1.00 0.00 O ATOM 186 CB VAL A 29 123.143 50.241 -39.181 1.00 0.00 C ATOM 187 CG1 VAL A 29 123.928 50.109 -37.870 1.00 0.00 C ATOM 188 CG2 VAL A 29 123.663 51.470 -39.940 1.00 0.00 C ATOM 0 H VAL A 29 124.912 49.234 -41.175 1.00 0.00 H new ATOM 0 HA VAL A 29 122.885 48.115 -39.359 1.00 0.00 H new ATOM 0 HB VAL A 29 122.084 50.397 -38.974 1.00 0.00 H new ATOM 0 HG11 VAL A 29 123.869 51.045 -37.315 1.00 0.00 H new ATOM 0 HG12 VAL A 29 123.502 49.304 -37.271 1.00 0.00 H new ATOM 0 HG13 VAL A 29 124.971 49.884 -38.092 1.00 0.00 H new ATOM 0 HG21 VAL A 29 123.595 52.349 -39.299 1.00 0.00 H new ATOM 0 HG22 VAL A 29 124.703 51.309 -40.225 1.00 0.00 H new ATOM 0 HG23 VAL A 29 123.061 51.626 -40.835 1.00 0.00 H new ATOM 198 N SER A 30 120.924 48.766 -40.892 1.00 0.00 N ATOM 199 CA SER A 30 119.807 48.813 -41.852 1.00 0.00 C ATOM 200 C SER A 30 118.519 49.359 -41.211 1.00 0.00 C ATOM 201 O SER A 30 118.347 49.313 -39.988 1.00 0.00 O ATOM 202 CB SER A 30 119.564 47.425 -42.464 1.00 0.00 C ATOM 203 OG SER A 30 119.245 46.461 -41.467 1.00 0.00 O ATOM 0 H SER A 30 120.616 48.537 -39.947 1.00 0.00 H new ATOM 0 HA SER A 30 120.089 49.503 -42.648 1.00 0.00 H new ATOM 0 HB2 SER A 30 118.751 47.483 -43.188 1.00 0.00 H new ATOM 0 HB3 SER A 30 120.453 47.106 -43.008 1.00 0.00 H new ATOM 0 HG SER A 30 119.095 45.590 -41.890 1.00 0.00 H new ATOM 209 N PHE A 31 117.622 49.911 -42.037 1.00 0.00 N ATOM 210 CA PHE A 31 116.375 50.566 -41.614 1.00 0.00 C ATOM 211 C PHE A 31 115.282 50.518 -42.704 1.00 0.00 C ATOM 212 O PHE A 31 115.561 50.244 -43.877 1.00 0.00 O ATOM 213 CB PHE A 31 116.682 52.020 -41.201 1.00 0.00 C ATOM 214 CG PHE A 31 117.328 52.878 -42.278 1.00 0.00 C ATOM 215 CD1 PHE A 31 116.528 53.587 -43.197 1.00 0.00 C ATOM 216 CD2 PHE A 31 118.731 52.971 -42.361 1.00 0.00 C ATOM 217 CE1 PHE A 31 117.128 54.373 -44.197 1.00 0.00 C ATOM 218 CE2 PHE A 31 119.331 53.756 -43.362 1.00 0.00 C ATOM 219 CZ PHE A 31 118.530 54.457 -44.281 1.00 0.00 C ATOM 0 H PHE A 31 117.746 49.915 -43.049 1.00 0.00 H new ATOM 0 HA PHE A 31 115.976 50.018 -40.761 1.00 0.00 H new ATOM 0 HB2 PHE A 31 115.752 52.496 -40.889 1.00 0.00 H new ATOM 0 HB3 PHE A 31 117.338 52.003 -40.331 1.00 0.00 H new ATOM 0 HD1 PHE A 31 115.452 53.526 -43.133 1.00 0.00 H new ATOM 0 HD2 PHE A 31 119.348 52.438 -41.653 1.00 0.00 H new ATOM 0 HE1 PHE A 31 116.512 54.913 -44.901 1.00 0.00 H new ATOM 0 HE2 PHE A 31 120.407 53.820 -43.425 1.00 0.00 H new ATOM 0 HZ PHE A 31 118.990 55.059 -45.050 1.00 0.00 H new ATOM 229 N GLY A 32 114.037 50.815 -42.313 1.00 0.00 N ATOM 230 CA GLY A 32 112.861 50.852 -43.197 1.00 0.00 C ATOM 231 C GLY A 32 112.222 49.481 -43.476 1.00 0.00 C ATOM 232 O GLY A 32 112.825 48.427 -43.250 1.00 0.00 O ATOM 0 H GLY A 32 113.811 51.043 -41.345 1.00 0.00 H new ATOM 0 HA2 GLY A 32 112.109 51.504 -42.752 1.00 0.00 H new ATOM 0 HA3 GLY A 32 113.151 51.302 -44.146 1.00 0.00 H new ATOM 236 N ALA A 33 110.976 49.508 -43.957 1.00 0.00 N ATOM 237 CA ALA A 33 110.157 48.335 -44.291 1.00 0.00 C ATOM 238 C ALA A 33 109.124 48.654 -45.402 1.00 0.00 C ATOM 239 O ALA A 33 108.715 49.816 -45.534 1.00 0.00 O ATOM 240 CB ALA A 33 109.451 47.866 -43.007 1.00 0.00 C ATOM 0 H ALA A 33 110.487 50.386 -44.133 1.00 0.00 H new ATOM 0 HA ALA A 33 110.798 47.545 -44.681 1.00 0.00 H new ATOM 0 HB1 ALA A 33 108.835 46.994 -43.228 1.00 0.00 H new ATOM 0 HB2 ALA A 33 110.197 47.603 -42.257 1.00 0.00 H new ATOM 0 HB3 ALA A 33 108.820 48.668 -42.625 1.00 0.00 H new ATOM 246 N PRO A 34 108.670 47.656 -46.191 1.00 0.00 N ATOM 247 CA PRO A 34 107.612 47.836 -47.190 1.00 0.00 C ATOM 248 C PRO A 34 106.232 48.084 -46.548 1.00 0.00 C ATOM 249 O PRO A 34 105.997 47.758 -45.380 1.00 0.00 O ATOM 250 CB PRO A 34 107.641 46.557 -48.035 1.00 0.00 C ATOM 251 CG PRO A 34 108.113 45.498 -47.040 1.00 0.00 C ATOM 252 CD PRO A 34 109.115 46.267 -46.180 1.00 0.00 C ATOM 0 HA PRO A 34 107.784 48.723 -47.799 1.00 0.00 H new ATOM 0 HB2 PRO A 34 106.658 46.319 -48.441 1.00 0.00 H new ATOM 0 HB3 PRO A 34 108.322 46.648 -48.881 1.00 0.00 H new ATOM 0 HG2 PRO A 34 107.288 45.104 -46.446 1.00 0.00 H new ATOM 0 HG3 PRO A 34 108.578 44.649 -47.542 1.00 0.00 H new ATOM 0 HD2 PRO A 34 109.140 45.873 -45.164 1.00 0.00 H new ATOM 0 HD3 PRO A 34 110.124 46.177 -46.582 1.00 0.00 H new ATOM 260 N SER A 35 105.304 48.652 -47.329 1.00 0.00 N ATOM 261 CA SER A 35 103.968 49.094 -46.879 1.00 0.00 C ATOM 262 C SER A 35 102.810 48.637 -47.801 1.00 0.00 C ATOM 263 O SER A 35 102.041 49.470 -48.302 1.00 0.00 O ATOM 264 CB SER A 35 103.997 50.617 -46.645 1.00 0.00 C ATOM 265 OG SER A 35 104.478 51.325 -47.786 1.00 0.00 O ATOM 0 H SER A 35 105.462 48.824 -48.322 1.00 0.00 H new ATOM 0 HA SER A 35 103.746 48.597 -45.935 1.00 0.00 H new ATOM 0 HB2 SER A 35 102.994 50.965 -46.399 1.00 0.00 H new ATOM 0 HB3 SER A 35 104.631 50.840 -45.787 1.00 0.00 H new ATOM 0 HG SER A 35 104.479 52.287 -47.598 1.00 0.00 H new ATOM 271 N PRO A 36 102.651 47.318 -48.056 1.00 0.00 N ATOM 272 CA PRO A 36 101.570 46.782 -48.891 1.00 0.00 C ATOM 273 C PRO A 36 100.178 46.942 -48.246 1.00 0.00 C ATOM 274 O PRO A 36 100.039 47.016 -47.020 1.00 0.00 O ATOM 275 CB PRO A 36 101.924 45.306 -49.104 1.00 0.00 C ATOM 276 CG PRO A 36 102.659 44.942 -47.815 1.00 0.00 C ATOM 277 CD PRO A 36 103.436 46.219 -47.504 1.00 0.00 C ATOM 0 HA PRO A 36 101.498 47.329 -49.831 1.00 0.00 H new ATOM 0 HB2 PRO A 36 101.034 44.694 -49.248 1.00 0.00 H new ATOM 0 HB3 PRO A 36 102.554 45.164 -49.982 1.00 0.00 H new ATOM 0 HG2 PRO A 36 101.968 44.683 -47.013 1.00 0.00 H new ATOM 0 HG3 PRO A 36 103.322 44.088 -47.953 1.00 0.00 H new ATOM 0 HD2 PRO A 36 103.573 46.340 -46.429 1.00 0.00 H new ATOM 0 HD3 PRO A 36 104.430 46.188 -47.950 1.00 0.00 H new ATOM 285 N LEU A 37 99.135 46.954 -49.085 1.00 0.00 N ATOM 286 CA LEU A 37 97.717 46.968 -48.688 1.00 0.00 C ATOM 287 C LEU A 37 96.837 46.180 -49.680 1.00 0.00 C ATOM 288 O LEU A 37 97.221 45.982 -50.836 1.00 0.00 O ATOM 289 CB LEU A 37 97.248 48.425 -48.467 1.00 0.00 C ATOM 290 CG LEU A 37 97.269 49.367 -49.694 1.00 0.00 C ATOM 291 CD1 LEU A 37 96.002 49.267 -50.550 1.00 0.00 C ATOM 292 CD2 LEU A 37 97.369 50.820 -49.223 1.00 0.00 C ATOM 0 H LEU A 37 99.257 46.954 -50.098 1.00 0.00 H new ATOM 0 HA LEU A 37 97.607 46.447 -47.737 1.00 0.00 H new ATOM 0 HB2 LEU A 37 96.230 48.397 -48.080 1.00 0.00 H new ATOM 0 HB3 LEU A 37 97.872 48.867 -47.691 1.00 0.00 H new ATOM 0 HG LEU A 37 98.127 49.063 -50.294 1.00 0.00 H new ATOM 0 HD11 LEU A 37 96.078 49.952 -51.394 1.00 0.00 H new ATOM 0 HD12 LEU A 37 95.892 48.247 -50.919 1.00 0.00 H new ATOM 0 HD13 LEU A 37 95.133 49.531 -49.947 1.00 0.00 H new ATOM 0 HD21 LEU A 37 97.384 51.483 -50.088 1.00 0.00 H new ATOM 0 HD22 LEU A 37 96.509 51.060 -48.597 1.00 0.00 H new ATOM 0 HD23 LEU A 37 98.285 50.954 -48.648 1.00 0.00 H new ATOM 304 N SER A 38 95.663 45.726 -49.224 1.00 0.00 N ATOM 305 CA SER A 38 94.768 44.833 -49.991 1.00 0.00 C ATOM 306 C SER A 38 93.262 45.135 -49.881 1.00 0.00 C ATOM 307 O SER A 38 92.478 44.578 -50.657 1.00 0.00 O ATOM 308 CB SER A 38 95.032 43.382 -49.563 1.00 0.00 C ATOM 309 OG SER A 38 94.762 43.210 -48.176 1.00 0.00 O ATOM 0 H SER A 38 95.298 45.968 -48.303 1.00 0.00 H new ATOM 0 HA SER A 38 95.010 45.008 -51.039 1.00 0.00 H new ATOM 0 HB2 SER A 38 94.407 42.706 -50.147 1.00 0.00 H new ATOM 0 HB3 SER A 38 96.069 43.119 -49.772 1.00 0.00 H new ATOM 0 HG SER A 38 94.934 42.279 -47.922 1.00 0.00 H new ATOM 315 N SER A 39 92.833 46.001 -48.954 1.00 0.00 N ATOM 316 CA SER A 39 91.417 46.343 -48.725 1.00 0.00 C ATOM 317 C SER A 39 91.237 47.750 -48.136 1.00 0.00 C ATOM 318 O SER A 39 92.123 48.281 -47.461 1.00 0.00 O ATOM 319 CB SER A 39 90.777 45.306 -47.791 1.00 0.00 C ATOM 320 OG SER A 39 89.371 45.503 -47.706 1.00 0.00 O ATOM 0 H SER A 39 93.470 46.495 -48.329 1.00 0.00 H new ATOM 0 HA SER A 39 90.922 46.333 -49.696 1.00 0.00 H new ATOM 0 HB2 SER A 39 90.986 44.301 -48.158 1.00 0.00 H new ATOM 0 HB3 SER A 39 91.220 45.382 -46.798 1.00 0.00 H new ATOM 0 HG SER A 39 88.982 44.831 -47.108 1.00 0.00 H new ATOM 326 N GLU A 40 90.070 48.343 -48.386 1.00 0.00 N ATOM 327 CA GLU A 40 89.634 49.673 -47.937 1.00 0.00 C ATOM 328 C GLU A 40 88.233 49.666 -47.272 1.00 0.00 C ATOM 329 O GLU A 40 87.657 50.731 -47.026 1.00 0.00 O ATOM 330 CB GLU A 40 89.719 50.668 -49.115 1.00 0.00 C ATOM 331 CG GLU A 40 88.699 50.451 -50.250 1.00 0.00 C ATOM 332 CD GLU A 40 88.959 49.163 -51.059 1.00 0.00 C ATOM 333 OE1 GLU A 40 89.744 49.204 -52.037 1.00 0.00 O ATOM 334 OE2 GLU A 40 88.374 48.103 -50.725 1.00 0.00 O ATOM 0 H GLU A 40 89.353 47.879 -48.945 1.00 0.00 H new ATOM 0 HA GLU A 40 90.313 49.999 -47.150 1.00 0.00 H new ATOM 0 HB2 GLU A 40 89.590 51.677 -48.724 1.00 0.00 H new ATOM 0 HB3 GLU A 40 90.722 50.616 -49.538 1.00 0.00 H new ATOM 0 HG2 GLU A 40 87.696 50.410 -49.826 1.00 0.00 H new ATOM 0 HG3 GLU A 40 88.726 51.308 -50.923 1.00 0.00 H new ATOM 341 N SER A 41 87.671 48.479 -47.003 1.00 0.00 N ATOM 342 CA SER A 41 86.289 48.279 -46.529 1.00 0.00 C ATOM 343 C SER A 41 86.162 47.135 -45.500 1.00 0.00 C ATOM 344 O SER A 41 87.154 46.501 -45.124 1.00 0.00 O ATOM 345 CB SER A 41 85.389 48.035 -47.751 1.00 0.00 C ATOM 346 OG SER A 41 84.017 48.221 -47.423 1.00 0.00 O ATOM 0 H SER A 41 88.180 47.602 -47.112 1.00 0.00 H new ATOM 0 HA SER A 41 85.972 49.178 -46.000 1.00 0.00 H new ATOM 0 HB2 SER A 41 85.669 48.716 -48.555 1.00 0.00 H new ATOM 0 HB3 SER A 41 85.543 47.022 -48.123 1.00 0.00 H new ATOM 0 HG SER A 41 83.466 48.062 -48.218 1.00 0.00 H new ATOM 352 N GLU A 42 84.933 46.866 -45.040 1.00 0.00 N ATOM 353 CA GLU A 42 84.578 45.833 -44.049 1.00 0.00 C ATOM 354 C GLU A 42 85.344 45.977 -42.715 1.00 0.00 C ATOM 355 O GLU A 42 85.907 45.025 -42.170 1.00 0.00 O ATOM 356 CB GLU A 42 84.622 44.433 -44.695 1.00 0.00 C ATOM 357 CG GLU A 42 83.739 43.414 -43.958 1.00 0.00 C ATOM 358 CD GLU A 42 83.780 42.046 -44.666 1.00 0.00 C ATOM 359 OE1 GLU A 42 84.648 41.203 -44.329 1.00 0.00 O ATOM 360 OE2 GLU A 42 82.937 41.795 -45.563 1.00 0.00 O ATOM 0 H GLU A 42 84.117 47.386 -45.363 1.00 0.00 H new ATOM 0 HA GLU A 42 83.544 45.987 -43.742 1.00 0.00 H new ATOM 0 HB2 GLU A 42 84.298 44.506 -45.733 1.00 0.00 H new ATOM 0 HB3 GLU A 42 85.651 44.075 -44.707 1.00 0.00 H new ATOM 0 HG2 GLU A 42 84.080 43.307 -42.928 1.00 0.00 H new ATOM 0 HG3 GLU A 42 82.712 43.777 -43.917 1.00 0.00 H new ATOM 367 N ASP A 43 85.331 47.196 -42.163 1.00 0.00 N ATOM 368 CA ASP A 43 85.898 47.547 -40.851 1.00 0.00 C ATOM 369 C ASP A 43 84.986 47.081 -39.690 1.00 0.00 C ATOM 370 O ASP A 43 84.525 47.872 -38.865 1.00 0.00 O ATOM 371 CB ASP A 43 86.210 49.052 -40.809 1.00 0.00 C ATOM 372 CG ASP A 43 87.282 49.449 -41.837 1.00 0.00 C ATOM 373 OD1 ASP A 43 88.484 49.188 -41.589 1.00 0.00 O ATOM 374 OD2 ASP A 43 86.930 50.047 -42.883 1.00 0.00 O ATOM 0 H ASP A 43 84.910 47.997 -42.634 1.00 0.00 H new ATOM 0 HA ASP A 43 86.837 47.012 -40.712 1.00 0.00 H new ATOM 0 HB2 ASP A 43 85.298 49.616 -41.001 1.00 0.00 H new ATOM 0 HB3 ASP A 43 86.549 49.324 -39.809 1.00 0.00 H new ATOM 379 N GLU A 44 84.689 45.775 -39.664 1.00 0.00 N ATOM 380 CA GLU A 44 83.783 45.097 -38.714 1.00 0.00 C ATOM 381 C GLU A 44 82.345 45.670 -38.691 1.00 0.00 C ATOM 382 O GLU A 44 81.652 45.605 -37.674 1.00 0.00 O ATOM 383 CB GLU A 44 84.425 44.982 -37.313 1.00 0.00 C ATOM 384 CG GLU A 44 85.788 44.275 -37.328 1.00 0.00 C ATOM 385 CD GLU A 44 86.329 44.098 -35.896 1.00 0.00 C ATOM 386 OE1 GLU A 44 87.035 45.004 -35.387 1.00 0.00 O ATOM 387 OE2 GLU A 44 86.063 43.044 -35.265 1.00 0.00 O ATOM 0 H GLU A 44 85.093 45.125 -40.338 1.00 0.00 H new ATOM 0 HA GLU A 44 83.649 44.082 -39.088 1.00 0.00 H new ATOM 0 HB2 GLU A 44 84.546 45.980 -36.893 1.00 0.00 H new ATOM 0 HB3 GLU A 44 83.748 44.438 -36.654 1.00 0.00 H new ATOM 0 HG2 GLU A 44 85.692 43.301 -37.808 1.00 0.00 H new ATOM 0 HG3 GLU A 44 86.497 44.854 -37.920 1.00 0.00 H new ATOM 631 N ALA A 61 66.918 33.569 -16.005 1.00 0.00 N ATOM 632 CA ALA A 61 68.248 33.072 -15.659 1.00 0.00 C ATOM 633 C ALA A 61 68.282 32.417 -14.265 1.00 0.00 C ATOM 634 O ALA A 61 67.844 33.015 -13.278 1.00 0.00 O ATOM 635 CB ALA A 61 69.264 34.215 -15.769 1.00 0.00 C ATOM 0 HA ALA A 61 68.516 32.288 -16.367 1.00 0.00 H new ATOM 0 HB1 ALA A 61 70.257 33.846 -15.511 1.00 0.00 H new ATOM 0 HB2 ALA A 61 69.273 34.597 -16.790 1.00 0.00 H new ATOM 0 HB3 ALA A 61 68.986 35.016 -15.084 1.00 0.00 H new ATOM 641 N ALA A 62 68.840 31.210 -14.183 1.00 0.00 N ATOM 642 CA ALA A 62 69.197 30.539 -12.933 1.00 0.00 C ATOM 643 C ALA A 62 70.595 30.972 -12.444 1.00 0.00 C ATOM 644 O ALA A 62 71.414 31.473 -13.221 1.00 0.00 O ATOM 645 CB ALA A 62 69.088 29.021 -13.132 1.00 0.00 C ATOM 0 H ALA A 62 69.063 30.655 -15.009 1.00 0.00 H new ATOM 0 HA ALA A 62 68.501 30.833 -12.147 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.352 28.513 -12.205 1.00 0.00 H new ATOM 0 HB2 ALA A 62 68.066 28.763 -13.409 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.768 28.708 -13.924 1.00 0.00 H new ATOM 651 N LEU A 63 70.862 30.787 -11.145 1.00 0.00 N ATOM 652 CA LEU A 63 72.086 31.237 -10.466 1.00 0.00 C ATOM 653 C LEU A 63 72.694 30.149 -9.565 1.00 0.00 C ATOM 654 O LEU A 63 71.987 29.272 -9.062 1.00 0.00 O ATOM 655 CB LEU A 63 71.779 32.487 -9.613 1.00 0.00 C ATOM 656 CG LEU A 63 71.264 33.721 -10.376 1.00 0.00 C ATOM 657 CD1 LEU A 63 70.952 34.835 -9.378 1.00 0.00 C ATOM 658 CD2 LEU A 63 72.295 34.257 -11.364 1.00 0.00 C ATOM 0 H LEU A 63 70.215 30.307 -10.519 1.00 0.00 H new ATOM 0 HA LEU A 63 72.815 31.471 -11.242 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.038 32.215 -8.861 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.686 32.769 -9.079 1.00 0.00 H new ATOM 0 HG LEU A 63 70.376 33.414 -10.928 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.587 35.711 -9.913 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.189 34.493 -8.678 1.00 0.00 H new ATOM 0 HD13 LEU A 63 71.857 35.096 -8.829 1.00 0.00 H new ATOM 0 HD21 LEU A 63 71.888 35.127 -11.879 1.00 0.00 H new ATOM 0 HD22 LEU A 63 73.199 34.544 -10.827 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.536 33.484 -12.093 1.00 0.00 H new ATOM 670 N HIS A 64 73.996 30.264 -9.294 1.00 0.00 N ATOM 671 CA HIS A 64 74.670 29.557 -8.198 1.00 0.00 C ATOM 672 C HIS A 64 74.459 30.314 -6.878 1.00 0.00 C ATOM 673 O HIS A 64 74.516 31.545 -6.856 1.00 0.00 O ATOM 674 CB HIS A 64 76.163 29.421 -8.520 1.00 0.00 C ATOM 675 CG HIS A 64 76.476 28.445 -9.624 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.412 27.053 -9.511 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.922 28.774 -10.872 1.00 0.00 C ATOM 678 CE1 HIS A 64 76.825 26.574 -10.696 1.00 0.00 C ATOM 679 NE2 HIS A 64 77.140 27.582 -11.529 1.00 0.00 N ATOM 0 H HIS A 64 74.622 30.859 -9.836 1.00 0.00 H new ATOM 0 HA HIS A 64 74.245 28.559 -8.088 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.553 30.401 -8.796 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.690 29.111 -7.618 1.00 0.00 H new ATOM 0 HD2 HIS A 64 77.074 29.768 -11.265 1.00 0.00 H new ATOM 0 HE1 HIS A 64 76.894 25.525 -10.945 1.00 0.00 H new ATOM 0 HE2 HIS A 64 77.482 27.481 -12.485 1.00 0.00 H new ATOM 687 N ALA A 65 74.235 29.597 -5.773 1.00 0.00 N ATOM 688 CA ALA A 65 73.901 30.198 -4.474 1.00 0.00 C ATOM 689 C ALA A 65 75.098 30.344 -3.508 1.00 0.00 C ATOM 690 O ALA A 65 75.036 31.140 -2.570 1.00 0.00 O ATOM 691 CB ALA A 65 72.778 29.361 -3.851 1.00 0.00 C ATOM 0 H ALA A 65 74.280 28.578 -5.752 1.00 0.00 H new ATOM 0 HA ALA A 65 73.580 31.225 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.505 29.781 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.909 29.371 -4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.120 28.335 -3.718 1.00 0.00 H new ATOM 697 N GLU A 66 76.179 29.583 -3.718 1.00 0.00 N ATOM 698 CA GLU A 66 77.325 29.463 -2.796 1.00 0.00 C ATOM 699 C GLU A 66 78.678 29.409 -3.539 1.00 0.00 C ATOM 700 O GLU A 66 78.735 29.174 -4.751 1.00 0.00 O ATOM 701 CB GLU A 66 77.159 28.207 -1.917 1.00 0.00 C ATOM 702 CG GLU A 66 75.951 28.271 -0.973 1.00 0.00 C ATOM 703 CD GLU A 66 75.929 27.057 -0.025 1.00 0.00 C ATOM 704 OE1 GLU A 66 75.330 26.011 -0.378 1.00 0.00 O ATOM 705 OE2 GLU A 66 76.505 27.137 1.088 1.00 0.00 O ATOM 0 H GLU A 66 76.288 29.015 -4.558 1.00 0.00 H new ATOM 0 HA GLU A 66 77.335 30.357 -2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.060 27.334 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.064 28.066 -1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 66 75.988 29.192 -0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 66 75.030 28.299 -1.556 1.00 0.00 H new ATOM 712 N GLY A 67 79.779 29.609 -2.802 1.00 0.00 N ATOM 713 CA GLY A 67 81.149 29.560 -3.333 1.00 0.00 C ATOM 714 C GLY A 67 81.528 30.771 -4.207 1.00 0.00 C ATOM 715 O GLY A 67 80.846 31.801 -4.173 1.00 0.00 O ATOM 0 H GLY A 67 79.743 29.813 -1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.848 29.494 -2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.267 28.650 -3.921 1.00 0.00 H new ATOM 719 N PRO A 68 82.603 30.673 -5.017 1.00 0.00 N ATOM 720 CA PRO A 68 83.103 31.787 -5.832 1.00 0.00 C ATOM 721 C PRO A 68 82.148 32.203 -6.968 1.00 0.00 C ATOM 722 O PRO A 68 82.268 33.311 -7.495 1.00 0.00 O ATOM 723 CB PRO A 68 84.459 31.313 -6.368 1.00 0.00 C ATOM 724 CG PRO A 68 84.316 29.793 -6.414 1.00 0.00 C ATOM 725 CD PRO A 68 83.456 29.501 -5.188 1.00 0.00 C ATOM 0 HA PRO A 68 83.189 32.691 -5.230 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.666 31.726 -7.355 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.277 31.619 -5.716 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.837 29.459 -7.334 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.283 29.293 -6.359 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.860 28.600 -5.333 1.00 0.00 H new ATOM 0 HD3 PRO A 68 84.075 29.335 -4.306 1.00 0.00 H new ATOM 733 N LEU A 69 81.181 31.344 -7.327 1.00 0.00 N ATOM 734 CA LEU A 69 80.137 31.628 -8.319 1.00 0.00 C ATOM 735 C LEU A 69 78.828 32.170 -7.711 1.00 0.00 C ATOM 736 O LEU A 69 77.860 32.340 -8.444 1.00 0.00 O ATOM 737 CB LEU A 69 79.886 30.381 -9.191 1.00 0.00 C ATOM 738 CG LEU A 69 81.076 29.915 -10.054 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.698 28.604 -10.737 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.481 30.924 -11.129 1.00 0.00 C ATOM 0 H LEU A 69 81.103 30.410 -6.924 1.00 0.00 H new ATOM 0 HA LEU A 69 80.511 32.437 -8.947 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.590 29.559 -8.539 1.00 0.00 H new ATOM 0 HB3 LEU A 69 79.042 30.585 -9.850 1.00 0.00 H new ATOM 0 HG LEU A 69 81.929 29.799 -9.386 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.530 28.261 -11.352 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.471 27.852 -9.981 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.822 28.761 -11.367 1.00 0.00 H new ATOM 0 HD21 LEU A 69 82.324 30.531 -11.698 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.640 31.098 -11.800 1.00 0.00 H new ATOM 0 HD23 LEU A 69 81.769 31.863 -10.657 1.00 0.00 H new ATOM 752 N ALA A 70 78.744 32.453 -6.407 1.00 0.00 N ATOM 753 CA ALA A 70 77.506 32.940 -5.795 1.00 0.00 C ATOM 754 C ALA A 70 76.982 34.217 -6.491 1.00 0.00 C ATOM 755 O ALA A 70 77.673 35.239 -6.575 1.00 0.00 O ATOM 756 CB ALA A 70 77.728 33.156 -4.295 1.00 0.00 C ATOM 0 H ALA A 70 79.522 32.352 -5.755 1.00 0.00 H new ATOM 0 HA ALA A 70 76.731 32.185 -5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.807 33.519 -3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 70 78.016 32.213 -3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.520 33.890 -4.146 1.00 0.00 H new ATOM 762 N GLY A 71 75.751 34.138 -7.003 1.00 0.00 N ATOM 763 CA GLY A 71 75.093 35.182 -7.798 1.00 0.00 C ATOM 764 C GLY A 71 75.442 35.192 -9.298 1.00 0.00 C ATOM 765 O GLY A 71 75.048 36.126 -9.996 1.00 0.00 O ATOM 0 H GLY A 71 75.162 33.316 -6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 71 74.014 35.067 -7.695 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.352 36.153 -7.376 1.00 0.00 H new ATOM 769 N LEU A 72 76.166 34.181 -9.802 1.00 0.00 N ATOM 770 CA LEU A 72 76.607 34.032 -11.203 1.00 0.00 C ATOM 771 C LEU A 72 75.816 32.906 -11.933 1.00 0.00 C ATOM 772 O LEU A 72 75.214 32.063 -11.261 1.00 0.00 O ATOM 773 CB LEU A 72 78.146 33.837 -11.216 1.00 0.00 C ATOM 774 CG LEU A 72 78.979 34.919 -10.485 1.00 0.00 C ATOM 775 CD1 LEU A 72 80.457 34.763 -10.850 1.00 0.00 C ATOM 776 CD2 LEU A 72 78.604 36.361 -10.838 1.00 0.00 C ATOM 0 H LEU A 72 76.477 33.405 -9.217 1.00 0.00 H new ATOM 0 HA LEU A 72 76.383 34.934 -11.772 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.372 32.870 -10.768 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.477 33.793 -12.254 1.00 0.00 H new ATOM 0 HG LEU A 72 78.773 34.760 -9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 72 81.041 35.525 -10.335 1.00 0.00 H new ATOM 0 HD12 LEU A 72 80.804 33.775 -10.549 1.00 0.00 H new ATOM 0 HD13 LEU A 72 80.580 34.878 -11.927 1.00 0.00 H new ATOM 0 HD21 LEU A 72 79.239 37.049 -10.279 1.00 0.00 H new ATOM 0 HD22 LEU A 72 78.746 36.523 -11.907 1.00 0.00 H new ATOM 0 HD23 LEU A 72 77.560 36.539 -10.580 1.00 0.00 H new ATOM 788 N PRO A 73 75.763 32.885 -13.286 1.00 0.00 N ATOM 789 CA PRO A 73 74.874 32.016 -14.076 1.00 0.00 C ATOM 790 C PRO A 73 75.276 30.536 -14.062 1.00 0.00 C ATOM 791 O PRO A 73 76.410 30.200 -13.729 1.00 0.00 O ATOM 792 CB PRO A 73 74.934 32.558 -15.509 1.00 0.00 C ATOM 793 CG PRO A 73 76.297 33.226 -15.594 1.00 0.00 C ATOM 794 CD PRO A 73 76.543 33.728 -14.180 1.00 0.00 C ATOM 0 HA PRO A 73 73.873 32.040 -13.645 1.00 0.00 H new ATOM 0 HB2 PRO A 73 74.835 31.758 -16.243 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.129 33.268 -15.701 1.00 0.00 H new ATOM 0 HG2 PRO A 73 77.068 32.523 -15.909 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.298 34.044 -16.315 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.603 33.676 -13.932 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.244 34.772 -14.084 1.00 0.00 H new ATOM 802 N VAL A 74 74.385 29.647 -14.509 1.00 0.00 N ATOM 803 CA VAL A 74 74.646 28.197 -14.603 1.00 0.00 C ATOM 804 C VAL A 74 74.724 27.705 -16.063 1.00 0.00 C ATOM 805 O VAL A 74 75.440 26.741 -16.335 1.00 0.00 O ATOM 806 CB VAL A 74 73.602 27.403 -13.792 1.00 0.00 C ATOM 807 CG1 VAL A 74 74.035 25.946 -13.578 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.340 27.999 -12.398 1.00 0.00 C ATOM 0 H VAL A 74 73.450 29.911 -14.821 1.00 0.00 H new ATOM 0 HA VAL A 74 75.628 28.016 -14.167 1.00 0.00 H new ATOM 0 HB VAL A 74 72.693 27.457 -14.391 1.00 0.00 H new ATOM 0 HG11 VAL A 74 73.273 25.421 -13.003 1.00 0.00 H new ATOM 0 HG12 VAL A 74 74.161 25.458 -14.545 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.980 25.923 -13.035 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.596 27.395 -11.878 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.267 28.006 -11.825 1.00 0.00 H new ATOM 0 HG23 VAL A 74 72.970 29.019 -12.502 1.00 0.00 H new ATOM 818 N THR A 75 74.066 28.383 -17.014 1.00 0.00 N ATOM 819 CA THR A 75 74.054 28.041 -18.459 1.00 0.00 C ATOM 820 C THR A 75 74.425 29.209 -19.387 1.00 0.00 C ATOM 821 O THR A 75 74.567 30.351 -18.948 1.00 0.00 O ATOM 822 CB THR A 75 72.693 27.467 -18.883 1.00 0.00 C ATOM 823 OG1 THR A 75 71.747 28.505 -18.859 1.00 0.00 O ATOM 824 CG2 THR A 75 72.233 26.323 -17.983 1.00 0.00 C ATOM 0 H THR A 75 73.508 29.210 -16.801 1.00 0.00 H new ATOM 0 HA THR A 75 74.832 27.287 -18.573 1.00 0.00 H new ATOM 0 HB THR A 75 72.794 27.054 -19.887 1.00 0.00 H new ATOM 0 HG1 THR A 75 71.281 28.543 -19.720 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.267 25.955 -18.328 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.963 25.515 -18.020 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.140 26.681 -16.958 1.00 0.00 H new ATOM 832 N ARG A 76 74.585 28.941 -20.697 1.00 0.00 N ATOM 833 CA ARG A 76 74.865 29.988 -21.708 1.00 0.00 C ATOM 834 C ARG A 76 73.660 30.907 -21.906 1.00 0.00 C ATOM 835 O ARG A 76 73.832 32.118 -22.000 1.00 0.00 O ATOM 836 CB ARG A 76 75.342 29.362 -23.042 1.00 0.00 C ATOM 837 CG ARG A 76 76.735 28.737 -22.871 1.00 0.00 C ATOM 838 CD ARG A 76 77.370 28.164 -24.139 1.00 0.00 C ATOM 839 NE ARG A 76 78.701 27.597 -23.822 1.00 0.00 N ATOM 840 CZ ARG A 76 79.522 26.971 -24.645 1.00 0.00 C ATOM 841 NH1 ARG A 76 79.243 26.789 -25.904 1.00 0.00 N ATOM 842 NH2 ARG A 76 80.656 26.513 -24.204 1.00 0.00 N ATOM 0 H ARG A 76 74.525 28.000 -21.086 1.00 0.00 H new ATOM 0 HA ARG A 76 75.679 30.608 -21.332 1.00 0.00 H new ATOM 0 HB2 ARG A 76 74.633 28.602 -23.369 1.00 0.00 H new ATOM 0 HB3 ARG A 76 75.372 30.125 -23.820 1.00 0.00 H new ATOM 0 HG2 ARG A 76 77.404 29.494 -22.463 1.00 0.00 H new ATOM 0 HG3 ARG A 76 76.666 27.940 -22.130 1.00 0.00 H new ATOM 0 HD2 ARG A 76 76.727 27.392 -24.562 1.00 0.00 H new ATOM 0 HD3 ARG A 76 77.468 28.945 -24.893 1.00 0.00 H new ATOM 0 HE ARG A 76 79.019 27.702 -22.859 1.00 0.00 H new ATOM 0 HH11 ARG A 76 78.363 27.135 -26.287 1.00 0.00 H new ATOM 0 HH12 ARG A 76 79.904 26.300 -26.507 1.00 0.00 H new ATOM 0 HH21 ARG A 76 80.910 26.638 -23.224 1.00 0.00 H new ATOM 0 HH22 ARG A 76 81.292 26.029 -24.838 1.00 0.00 H new ATOM 856 N SER A 77 72.445 30.359 -21.854 1.00 0.00 N ATOM 857 CA SER A 77 71.203 31.142 -21.802 1.00 0.00 C ATOM 858 C SER A 77 71.114 31.983 -20.522 1.00 0.00 C ATOM 859 O SER A 77 70.827 33.177 -20.622 1.00 0.00 O ATOM 860 CB SER A 77 69.976 30.238 -21.972 1.00 0.00 C ATOM 861 OG SER A 77 70.064 29.077 -21.159 1.00 0.00 O ATOM 0 H SER A 77 72.291 29.351 -21.847 1.00 0.00 H new ATOM 0 HA SER A 77 71.218 31.840 -22.639 1.00 0.00 H new ATOM 0 HB2 SER A 77 69.075 30.795 -21.715 1.00 0.00 H new ATOM 0 HB3 SER A 77 69.882 29.944 -23.017 1.00 0.00 H new ATOM 0 HG SER A 77 69.266 28.524 -21.291 1.00 0.00 H new ATOM 867 N ASP A 78 71.476 31.443 -19.348 1.00 0.00 N ATOM 868 CA ASP A 78 71.540 32.245 -18.117 1.00 0.00 C ATOM 869 C ASP A 78 72.514 33.421 -18.282 1.00 0.00 C ATOM 870 O ASP A 78 72.147 34.569 -18.038 1.00 0.00 O ATOM 871 CB ASP A 78 72.007 31.428 -16.905 1.00 0.00 C ATOM 872 CG ASP A 78 71.107 30.282 -16.433 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.875 30.300 -16.671 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.664 29.409 -15.727 1.00 0.00 O ATOM 0 H ASP A 78 71.727 30.462 -19.226 1.00 0.00 H new ATOM 0 HA ASP A 78 70.524 32.599 -17.941 1.00 0.00 H new ATOM 0 HB2 ASP A 78 72.987 31.011 -17.138 1.00 0.00 H new ATOM 0 HB3 ASP A 78 72.143 32.114 -16.069 1.00 0.00 H new ATOM 879 N ALA A 79 73.745 33.155 -18.740 1.00 0.00 N ATOM 880 CA ALA A 79 74.782 34.172 -18.909 1.00 0.00 C ATOM 881 C ALA A 79 74.385 35.257 -19.932 1.00 0.00 C ATOM 882 O ALA A 79 74.575 36.443 -19.664 1.00 0.00 O ATOM 883 CB ALA A 79 76.103 33.464 -19.263 1.00 0.00 C ATOM 0 H ALA A 79 74.048 32.218 -19.005 1.00 0.00 H new ATOM 0 HA ALA A 79 74.913 34.716 -17.974 1.00 0.00 H new ATOM 0 HB1 ALA A 79 76.890 34.207 -19.393 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.377 32.782 -18.458 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.978 32.902 -20.188 1.00 0.00 H new ATOM 889 N ARG A 80 73.764 34.886 -21.060 1.00 0.00 N ATOM 890 CA ARG A 80 73.286 35.831 -22.092 1.00 0.00 C ATOM 891 C ARG A 80 72.156 36.731 -21.571 1.00 0.00 C ATOM 892 O ARG A 80 72.206 37.947 -21.760 1.00 0.00 O ATOM 893 CB ARG A 80 72.877 35.020 -23.338 1.00 0.00 C ATOM 894 CG ARG A 80 72.792 35.855 -24.628 1.00 0.00 C ATOM 895 CD ARG A 80 72.437 34.942 -25.816 1.00 0.00 C ATOM 896 NE ARG A 80 72.756 35.559 -27.122 1.00 0.00 N ATOM 897 CZ ARG A 80 73.936 35.622 -27.716 1.00 0.00 C ATOM 898 NH1 ARG A 80 75.027 35.175 -27.159 1.00 0.00 N ATOM 899 NH2 ARG A 80 74.055 36.164 -28.890 1.00 0.00 N ATOM 0 H ARG A 80 73.575 33.910 -21.289 1.00 0.00 H new ATOM 0 HA ARG A 80 74.089 36.517 -22.363 1.00 0.00 H new ATOM 0 HB2 ARG A 80 73.595 34.214 -23.486 1.00 0.00 H new ATOM 0 HB3 ARG A 80 71.909 34.555 -23.154 1.00 0.00 H new ATOM 0 HG2 ARG A 80 72.038 36.635 -24.519 1.00 0.00 H new ATOM 0 HG3 ARG A 80 73.743 36.354 -24.812 1.00 0.00 H new ATOM 0 HD2 ARG A 80 72.979 34.001 -25.721 1.00 0.00 H new ATOM 0 HD3 ARG A 80 71.374 34.703 -25.781 1.00 0.00 H new ATOM 0 HE ARG A 80 71.976 35.985 -27.622 1.00 0.00 H new ATOM 0 HH11 ARG A 80 74.991 34.757 -26.229 1.00 0.00 H new ATOM 0 HH12 ARG A 80 75.917 35.244 -27.653 1.00 0.00 H new ATOM 0 HH21 ARG A 80 73.235 36.545 -29.361 1.00 0.00 H new ATOM 0 HH22 ARG A 80 74.969 36.208 -29.341 1.00 0.00 H new ATOM 913 N VAL A 81 71.191 36.160 -20.844 1.00 0.00 N ATOM 914 CA VAL A 81 70.094 36.913 -20.198 1.00 0.00 C ATOM 915 C VAL A 81 70.628 37.853 -19.123 1.00 0.00 C ATOM 916 O VAL A 81 70.253 39.022 -19.101 1.00 0.00 O ATOM 917 CB VAL A 81 69.044 35.960 -19.596 1.00 0.00 C ATOM 918 CG1 VAL A 81 67.990 36.680 -18.742 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.297 35.244 -20.719 1.00 0.00 C ATOM 0 H VAL A 81 71.142 35.154 -20.682 1.00 0.00 H new ATOM 0 HA VAL A 81 69.613 37.512 -20.971 1.00 0.00 H new ATOM 0 HB VAL A 81 69.596 35.269 -18.959 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.281 35.952 -18.348 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.481 37.193 -17.915 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.459 37.407 -19.356 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.555 34.570 -20.291 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.798 35.979 -21.351 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.004 34.671 -21.319 1.00 0.00 H new ATOM 929 N LEU A 82 71.533 37.381 -18.261 1.00 0.00 N ATOM 930 CA LEU A 82 72.162 38.233 -17.240 1.00 0.00 C ATOM 931 C LEU A 82 72.960 39.391 -17.855 1.00 0.00 C ATOM 932 O LEU A 82 72.796 40.520 -17.397 1.00 0.00 O ATOM 933 CB LEU A 82 73.070 37.417 -16.307 1.00 0.00 C ATOM 934 CG LEU A 82 72.354 36.466 -15.334 1.00 0.00 C ATOM 935 CD1 LEU A 82 73.415 35.783 -14.475 1.00 0.00 C ATOM 936 CD2 LEU A 82 71.359 37.162 -14.404 1.00 0.00 C ATOM 0 H LEU A 82 71.849 36.411 -18.248 1.00 0.00 H new ATOM 0 HA LEU A 82 71.345 38.658 -16.657 1.00 0.00 H new ATOM 0 HB2 LEU A 82 73.754 36.830 -16.920 1.00 0.00 H new ATOM 0 HB3 LEU A 82 73.677 38.110 -15.725 1.00 0.00 H new ATOM 0 HG LEU A 82 71.781 35.763 -15.938 1.00 0.00 H new ATOM 0 HD11 LEU A 82 72.933 35.101 -13.774 1.00 0.00 H new ATOM 0 HD12 LEU A 82 74.096 35.223 -15.115 1.00 0.00 H new ATOM 0 HD13 LEU A 82 73.975 36.536 -13.921 1.00 0.00 H new ATOM 0 HD21 LEU A 82 70.896 36.424 -13.749 1.00 0.00 H new ATOM 0 HD22 LEU A 82 71.882 37.904 -13.801 1.00 0.00 H new ATOM 0 HD23 LEU A 82 70.589 37.654 -14.998 1.00 0.00 H new ATOM 948 N ILE A 83 73.754 39.150 -18.908 1.00 0.00 N ATOM 949 CA ILE A 83 74.444 40.222 -19.652 1.00 0.00 C ATOM 950 C ILE A 83 73.427 41.254 -20.144 1.00 0.00 C ATOM 951 O ILE A 83 73.589 42.443 -19.870 1.00 0.00 O ATOM 952 CB ILE A 83 75.292 39.650 -20.816 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.571 39.006 -20.229 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.661 40.728 -21.864 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.312 38.085 -21.208 1.00 0.00 C ATOM 0 H ILE A 83 73.937 38.214 -19.269 1.00 0.00 H new ATOM 0 HA ILE A 83 75.138 40.722 -18.977 1.00 0.00 H new ATOM 0 HB ILE A 83 74.696 38.902 -21.338 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.248 39.797 -19.907 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.303 38.434 -19.341 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.255 40.275 -22.658 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.750 41.150 -22.288 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.238 41.519 -21.385 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.196 37.673 -20.722 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.653 37.272 -21.512 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.614 38.655 -22.087 1.00 0.00 H new ATOM 967 N PHE A 84 72.361 40.815 -20.824 1.00 0.00 N ATOM 968 CA PHE A 84 71.360 41.730 -21.367 1.00 0.00 C ATOM 969 C PHE A 84 70.618 42.522 -20.284 1.00 0.00 C ATOM 970 O PHE A 84 70.511 43.740 -20.397 1.00 0.00 O ATOM 971 CB PHE A 84 70.372 40.959 -22.250 1.00 0.00 C ATOM 972 CG PHE A 84 69.512 41.853 -23.125 1.00 0.00 C ATOM 973 CD1 PHE A 84 70.124 42.766 -24.006 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.107 41.756 -23.096 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.353 43.529 -24.892 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.329 42.553 -23.959 1.00 0.00 C ATOM 977 CZ PHE A 84 67.951 43.432 -24.865 1.00 0.00 C ATOM 0 H PHE A 84 72.173 39.830 -21.009 1.00 0.00 H new ATOM 0 HA PHE A 84 71.892 42.466 -21.970 1.00 0.00 H new ATOM 0 HB2 PHE A 84 70.928 40.269 -22.885 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.724 40.355 -21.614 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.198 42.879 -23.998 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.627 41.071 -22.413 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.835 44.191 -25.595 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.251 42.489 -23.925 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.353 44.030 -25.537 1.00 0.00 H new ATOM 987 N ASN A 85 70.148 41.865 -19.220 1.00 0.00 N ATOM 988 CA ASN A 85 69.372 42.495 -18.150 1.00 0.00 C ATOM 989 C ASN A 85 70.224 43.462 -17.305 1.00 0.00 C ATOM 990 O ASN A 85 69.806 44.595 -17.047 1.00 0.00 O ATOM 991 CB ASN A 85 68.740 41.396 -17.271 1.00 0.00 C ATOM 992 CG ASN A 85 67.592 40.636 -17.927 1.00 0.00 C ATOM 993 OD1 ASN A 85 67.219 40.838 -19.075 1.00 0.00 O ATOM 994 ND2 ASN A 85 66.970 39.740 -17.192 1.00 0.00 N ATOM 0 H ASN A 85 70.298 40.866 -19.076 1.00 0.00 H new ATOM 0 HA ASN A 85 68.585 43.098 -18.603 1.00 0.00 H new ATOM 0 HB2 ASN A 85 69.516 40.684 -16.990 1.00 0.00 H new ATOM 0 HB3 ASN A 85 68.377 41.851 -16.350 1.00 0.00 H new ATOM 0 HD21 ASN A 85 66.183 39.220 -17.580 1.00 0.00 H new ATOM 0 HD22 ASN A 85 67.275 39.566 -16.234 1.00 0.00 H new ATOM 1001 N GLU A 86 71.430 43.040 -16.907 1.00 0.00 N ATOM 1002 CA GLU A 86 72.352 43.888 -16.148 1.00 0.00 C ATOM 1003 C GLU A 86 72.781 45.103 -16.977 1.00 0.00 C ATOM 1004 O GLU A 86 72.696 46.228 -16.481 1.00 0.00 O ATOM 1005 CB GLU A 86 73.567 43.077 -15.674 1.00 0.00 C ATOM 1006 CG GLU A 86 74.482 43.898 -14.760 1.00 0.00 C ATOM 1007 CD GLU A 86 75.629 43.028 -14.210 1.00 0.00 C ATOM 1008 OE1 GLU A 86 76.689 42.923 -14.875 1.00 0.00 O ATOM 1009 OE2 GLU A 86 75.483 42.456 -13.102 1.00 0.00 O ATOM 0 H GLU A 86 71.791 42.106 -17.101 1.00 0.00 H new ATOM 0 HA GLU A 86 71.832 44.258 -15.264 1.00 0.00 H new ATOM 0 HB2 GLU A 86 73.225 42.189 -15.142 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.133 42.732 -16.539 1.00 0.00 H new ATOM 0 HG2 GLU A 86 74.893 44.743 -15.313 1.00 0.00 H new ATOM 0 HG3 GLU A 86 73.903 44.310 -13.933 1.00 0.00 H new ATOM 1016 N TRP A 87 73.162 44.910 -18.249 1.00 0.00 N ATOM 1017 CA TRP A 87 73.435 46.032 -19.135 1.00 0.00 C ATOM 1018 C TRP A 87 72.206 46.927 -19.308 1.00 0.00 C ATOM 1019 O TRP A 87 72.355 48.127 -19.160 1.00 0.00 O ATOM 1020 CB TRP A 87 73.934 45.535 -20.486 1.00 0.00 C ATOM 1021 CG TRP A 87 74.030 46.587 -21.542 1.00 0.00 C ATOM 1022 CD1 TRP A 87 75.013 47.501 -21.703 1.00 0.00 C ATOM 1023 CD2 TRP A 87 73.114 46.793 -22.654 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.768 48.248 -22.839 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.620 47.840 -23.476 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.952 46.131 -23.094 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 73.042 48.174 -24.708 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.356 46.476 -24.315 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.890 47.489 -25.128 1.00 0.00 C ATOM 0 H TRP A 87 73.285 43.992 -18.677 1.00 0.00 H new ATOM 0 HA TRP A 87 74.217 46.636 -18.674 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.917 45.084 -20.351 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.267 44.747 -20.837 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.860 47.628 -21.045 1.00 0.00 H new ATOM 0 HE1 TRP A 87 75.365 49.008 -23.165 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.517 45.352 -22.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.476 48.947 -25.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.468 45.952 -24.637 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.419 47.739 -26.067 1.00 0.00 H new ATOM 1040 N GLU A 88 71.003 46.400 -19.547 1.00 0.00 N ATOM 1041 CA GLU A 88 69.791 47.216 -19.703 1.00 0.00 C ATOM 1042 C GLU A 88 69.525 48.130 -18.493 1.00 0.00 C ATOM 1043 O GLU A 88 69.268 49.320 -18.685 1.00 0.00 O ATOM 1044 CB GLU A 88 68.570 46.318 -19.964 1.00 0.00 C ATOM 1045 CG GLU A 88 68.362 45.972 -21.444 1.00 0.00 C ATOM 1046 CD GLU A 88 67.639 47.116 -22.185 1.00 0.00 C ATOM 1047 OE1 GLU A 88 68.291 48.107 -22.597 1.00 0.00 O ATOM 1048 OE2 GLU A 88 66.396 47.040 -22.351 1.00 0.00 O ATOM 0 H GLU A 88 70.839 45.397 -19.638 1.00 0.00 H new ATOM 0 HA GLU A 88 69.960 47.865 -20.562 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.682 45.394 -19.397 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.677 46.817 -19.588 1.00 0.00 H new ATOM 0 HG2 GLU A 88 69.326 45.781 -21.915 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.779 45.055 -21.528 1.00 0.00 H new ATOM 1055 N GLU A 89 69.627 47.634 -17.253 1.00 0.00 N ATOM 1056 CA GLU A 89 69.445 48.478 -16.056 1.00 0.00 C ATOM 1057 C GLU A 89 70.573 49.516 -15.892 1.00 0.00 C ATOM 1058 O GLU A 89 70.325 50.729 -15.783 1.00 0.00 O ATOM 1059 CB GLU A 89 69.340 47.607 -14.793 1.00 0.00 C ATOM 1060 CG GLU A 89 68.053 46.775 -14.764 1.00 0.00 C ATOM 1061 CD GLU A 89 67.922 46.014 -13.431 1.00 0.00 C ATOM 1062 OE1 GLU A 89 68.410 44.862 -13.322 1.00 0.00 O ATOM 1063 OE2 GLU A 89 67.320 46.563 -12.474 1.00 0.00 O ATOM 0 H GLU A 89 69.834 46.656 -17.049 1.00 0.00 H new ATOM 0 HA GLU A 89 68.514 49.028 -16.194 1.00 0.00 H new ATOM 0 HB2 GLU A 89 70.201 46.941 -14.741 1.00 0.00 H new ATOM 0 HB3 GLU A 89 69.377 48.245 -13.910 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.190 47.427 -14.902 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.054 46.067 -15.593 1.00 0.00 H new ATOM 1070 N ARG A 90 71.832 49.053 -15.929 1.00 0.00 N ATOM 1071 CA ARG A 90 73.011 49.928 -15.812 1.00 0.00 C ATOM 1072 C ARG A 90 72.989 51.002 -16.886 1.00 0.00 C ATOM 1073 O ARG A 90 73.106 52.173 -16.569 1.00 0.00 O ATOM 1074 CB ARG A 90 74.305 49.118 -15.937 1.00 0.00 C ATOM 1075 CG ARG A 90 74.558 48.180 -14.756 1.00 0.00 C ATOM 1076 CD ARG A 90 74.854 48.887 -13.425 1.00 0.00 C ATOM 1077 NE ARG A 90 75.996 49.819 -13.534 1.00 0.00 N ATOM 1078 CZ ARG A 90 77.126 49.840 -12.855 1.00 0.00 C ATOM 1079 NH1 ARG A 90 77.420 48.984 -11.917 1.00 0.00 N ATOM 1080 NH2 ARG A 90 77.985 50.768 -13.143 1.00 0.00 N ATOM 0 H ARG A 90 72.062 48.066 -16.040 1.00 0.00 H new ATOM 0 HA ARG A 90 72.977 50.399 -14.829 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.269 48.531 -16.855 1.00 0.00 H new ATOM 0 HB3 ARG A 90 75.146 49.805 -16.031 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.686 47.540 -14.625 1.00 0.00 H new ATOM 0 HG3 ARG A 90 75.397 47.529 -15.000 1.00 0.00 H new ATOM 0 HD2 ARG A 90 73.969 49.435 -13.101 1.00 0.00 H new ATOM 0 HD3 ARG A 90 75.066 48.142 -12.658 1.00 0.00 H new ATOM 0 HE ARG A 90 75.895 50.552 -14.236 1.00 0.00 H new ATOM 0 HH11 ARG A 90 76.758 48.247 -11.674 1.00 0.00 H new ATOM 0 HH12 ARG A 90 78.312 49.051 -11.426 1.00 0.00 H new ATOM 0 HH21 ARG A 90 77.775 51.449 -13.873 1.00 0.00 H new ATOM 0 HH22 ARG A 90 78.871 50.817 -12.640 1.00 0.00 H new ATOM 1094 N LYS A 91 72.755 50.615 -18.136 1.00 0.00 N ATOM 1095 CA LYS A 91 72.662 51.506 -19.307 1.00 0.00 C ATOM 1096 C LYS A 91 71.444 52.434 -19.275 1.00 0.00 C ATOM 1097 O LYS A 91 71.558 53.564 -19.744 1.00 0.00 O ATOM 1098 CB LYS A 91 72.720 50.678 -20.608 1.00 0.00 C ATOM 1099 CG LYS A 91 72.932 51.472 -21.910 1.00 0.00 C ATOM 1100 CD LYS A 91 71.624 51.766 -22.663 1.00 0.00 C ATOM 1101 CE LYS A 91 71.927 52.438 -24.011 1.00 0.00 C ATOM 1102 NZ LYS A 91 70.683 52.699 -24.793 1.00 0.00 N ATOM 0 H LYS A 91 72.618 49.634 -18.380 1.00 0.00 H new ATOM 0 HA LYS A 91 73.525 52.171 -19.272 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.526 49.950 -20.515 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.791 50.115 -20.697 1.00 0.00 H new ATOM 0 HG2 LYS A 91 73.428 52.414 -21.676 1.00 0.00 H new ATOM 0 HG3 LYS A 91 73.602 50.913 -22.564 1.00 0.00 H new ATOM 0 HD2 LYS A 91 71.074 50.839 -22.826 1.00 0.00 H new ATOM 0 HD3 LYS A 91 70.987 52.414 -22.061 1.00 0.00 H new ATOM 0 HE2 LYS A 91 72.452 53.378 -23.839 1.00 0.00 H new ATOM 0 HE3 LYS A 91 72.595 51.802 -24.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 70.929 53.153 -25.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 70.195 51.800 -24.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 70.057 53.327 -24.250 1.00 0.00 H new ATOM 1116 N LYS A 92 70.315 52.047 -18.665 1.00 0.00 N ATOM 1117 CA LYS A 92 69.227 52.989 -18.344 1.00 0.00 C ATOM 1118 C LYS A 92 69.714 54.093 -17.390 1.00 0.00 C ATOM 1119 O LYS A 92 69.351 55.255 -17.581 1.00 0.00 O ATOM 1120 CB LYS A 92 68.010 52.220 -17.800 1.00 0.00 C ATOM 1121 CG LYS A 92 66.794 53.132 -17.594 1.00 0.00 C ATOM 1122 CD LYS A 92 65.565 52.330 -17.145 1.00 0.00 C ATOM 1123 CE LYS A 92 64.365 53.268 -16.950 1.00 0.00 C ATOM 1124 NZ LYS A 92 63.147 52.526 -16.520 1.00 0.00 N ATOM 0 H LYS A 92 70.129 51.085 -18.382 1.00 0.00 H new ATOM 0 HA LYS A 92 68.909 53.496 -19.255 1.00 0.00 H new ATOM 0 HB2 LYS A 92 67.749 51.420 -18.492 1.00 0.00 H new ATOM 0 HB3 LYS A 92 68.273 51.749 -16.853 1.00 0.00 H new ATOM 0 HG2 LYS A 92 67.028 53.891 -16.847 1.00 0.00 H new ATOM 0 HG3 LYS A 92 66.569 53.657 -18.522 1.00 0.00 H new ATOM 0 HD2 LYS A 92 65.325 51.570 -17.889 1.00 0.00 H new ATOM 0 HD3 LYS A 92 65.783 51.807 -16.214 1.00 0.00 H new ATOM 0 HE2 LYS A 92 64.612 54.024 -16.205 1.00 0.00 H new ATOM 0 HE3 LYS A 92 64.160 53.794 -17.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 62.359 53.193 -16.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 62.896 51.822 -17.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 63.334 52.044 -15.618 1.00 0.00 H new ATOM 1138 N SER A 93 70.600 53.766 -16.440 1.00 0.00 N ATOM 1139 CA SER A 93 71.331 54.786 -15.651 1.00 0.00 C ATOM 1140 C SER A 93 72.553 55.424 -16.361 1.00 0.00 C ATOM 1141 O SER A 93 72.983 56.514 -15.976 1.00 0.00 O ATOM 1142 CB SER A 93 71.765 54.205 -14.298 1.00 0.00 C ATOM 1143 OG SER A 93 70.630 53.813 -13.537 1.00 0.00 O ATOM 0 H SER A 93 70.833 52.804 -16.194 1.00 0.00 H new ATOM 0 HA SER A 93 70.616 55.597 -15.516 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.418 53.347 -14.457 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.342 54.946 -13.746 1.00 0.00 H new ATOM 0 HG SER A 93 70.924 53.443 -12.678 1.00 0.00 H new ATOM 1149 N GLU A 94 73.120 54.777 -17.384 1.00 0.00 N ATOM 1150 CA GLU A 94 74.433 55.059 -17.998 1.00 0.00 C ATOM 1151 C GLU A 94 74.388 54.887 -19.536 1.00 0.00 C ATOM 1152 O GLU A 94 74.912 53.900 -20.062 1.00 0.00 O ATOM 1153 CB GLU A 94 75.512 54.121 -17.403 1.00 0.00 C ATOM 1154 CG GLU A 94 75.661 54.210 -15.885 1.00 0.00 C ATOM 1155 CD GLU A 94 76.801 53.303 -15.388 1.00 0.00 C ATOM 1156 OE1 GLU A 94 76.549 52.112 -15.081 1.00 0.00 O ATOM 1157 OE2 GLU A 94 77.957 53.774 -15.259 1.00 0.00 O ATOM 0 H GLU A 94 72.650 53.993 -17.837 1.00 0.00 H new ATOM 0 HA GLU A 94 74.686 56.096 -17.777 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.270 53.093 -17.672 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.472 54.354 -17.864 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.860 55.242 -15.596 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.726 53.920 -15.407 1.00 0.00 H new ATOM 1164 N PRO A 95 73.761 55.805 -20.301 1.00 0.00 N ATOM 1165 CA PRO A 95 73.423 55.595 -21.721 1.00 0.00 C ATOM 1166 C PRO A 95 74.611 55.354 -22.680 1.00 0.00 C ATOM 1167 O PRO A 95 74.402 54.995 -23.840 1.00 0.00 O ATOM 1168 CB PRO A 95 72.584 56.817 -22.122 1.00 0.00 C ATOM 1169 CG PRO A 95 72.940 57.878 -21.083 1.00 0.00 C ATOM 1170 CD PRO A 95 73.173 57.045 -19.828 1.00 0.00 C ATOM 0 HA PRO A 95 72.880 54.655 -21.819 1.00 0.00 H new ATOM 0 HB2 PRO A 95 72.826 57.152 -23.131 1.00 0.00 H new ATOM 0 HB3 PRO A 95 71.518 56.589 -22.109 1.00 0.00 H new ATOM 0 HG2 PRO A 95 73.829 58.442 -21.367 1.00 0.00 H new ATOM 0 HG3 PRO A 95 72.134 58.600 -20.947 1.00 0.00 H new ATOM 0 HD2 PRO A 95 73.839 57.557 -19.133 1.00 0.00 H new ATOM 0 HD3 PRO A 95 72.239 56.861 -19.298 1.00 0.00 H new ATOM 1178 N TRP A 96 75.850 55.511 -22.206 1.00 0.00 N ATOM 1179 CA TRP A 96 77.102 55.226 -22.918 1.00 0.00 C ATOM 1180 C TRP A 96 77.568 53.752 -22.851 1.00 0.00 C ATOM 1181 O TRP A 96 78.518 53.392 -23.552 1.00 0.00 O ATOM 1182 CB TRP A 96 78.177 56.155 -22.333 1.00 0.00 C ATOM 1183 CG TRP A 96 78.343 56.080 -20.841 1.00 0.00 C ATOM 1184 CD1 TRP A 96 79.118 55.194 -20.174 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.700 56.897 -19.812 1.00 0.00 C ATOM 1186 NE1 TRP A 96 79.008 55.409 -18.814 1.00 0.00 N ATOM 1187 CE2 TRP A 96 78.142 56.445 -18.531 1.00 0.00 C ATOM 1188 CE3 TRP A 96 76.778 57.966 -19.829 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.695 57.020 -17.333 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 76.324 58.554 -18.631 1.00 0.00 C ATOM 1191 CH2 TRP A 96 76.777 58.082 -17.386 1.00 0.00 C ATOM 0 H TRP A 96 76.017 55.860 -21.262 1.00 0.00 H new ATOM 0 HA TRP A 96 76.929 55.406 -23.979 1.00 0.00 H new ATOM 0 HB2 TRP A 96 79.133 55.919 -22.801 1.00 0.00 H new ATOM 0 HB3 TRP A 96 77.934 57.182 -22.605 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.730 54.433 -20.635 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.506 54.869 -18.106 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.415 58.339 -20.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 78.052 56.652 -16.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 75.622 59.374 -18.670 1.00 0.00 H new ATOM 0 HH2 TRP A 96 76.420 58.535 -16.473 1.00 0.00 H new ATOM 1202 N LEU A 97 76.959 52.896 -22.016 1.00 0.00 N ATOM 1203 CA LEU A 97 77.478 51.566 -21.689 1.00 0.00 C ATOM 1204 C LEU A 97 77.506 50.592 -22.887 1.00 0.00 C ATOM 1205 O LEU A 97 76.520 50.448 -23.616 1.00 0.00 O ATOM 1206 CB LEU A 97 76.636 50.994 -20.536 1.00 0.00 C ATOM 1207 CG LEU A 97 77.281 49.817 -19.803 1.00 0.00 C ATOM 1208 CD1 LEU A 97 78.571 50.192 -19.069 1.00 0.00 C ATOM 1209 CD2 LEU A 97 76.300 49.276 -18.766 1.00 0.00 C ATOM 0 H LEU A 97 76.081 53.114 -21.545 1.00 0.00 H new ATOM 0 HA LEU A 97 78.522 51.678 -21.394 1.00 0.00 H new ATOM 0 HB2 LEU A 97 76.439 51.789 -19.817 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.671 50.675 -20.931 1.00 0.00 H new ATOM 0 HG LEU A 97 77.529 49.077 -20.564 1.00 0.00 H new ATOM 0 HD11 LEU A 97 78.976 49.311 -18.571 1.00 0.00 H new ATOM 0 HD12 LEU A 97 79.300 50.571 -19.785 1.00 0.00 H new ATOM 0 HD13 LEU A 97 78.357 50.962 -18.327 1.00 0.00 H new ATOM 0 HD21 LEU A 97 76.754 48.436 -18.239 1.00 0.00 H new ATOM 0 HD22 LEU A 97 76.055 50.062 -18.052 1.00 0.00 H new ATOM 0 HD23 LEU A 97 75.390 48.943 -19.265 1.00 0.00 H new ATOM 1221 N ARG A 98 78.618 49.860 -23.041 1.00 0.00 N ATOM 1222 CA ARG A 98 78.825 48.856 -24.105 1.00 0.00 C ATOM 1223 C ARG A 98 78.225 47.483 -23.761 1.00 0.00 C ATOM 1224 O ARG A 98 78.059 47.142 -22.590 1.00 0.00 O ATOM 1225 CB ARG A 98 80.325 48.738 -24.424 1.00 0.00 C ATOM 1226 CG ARG A 98 80.924 50.044 -24.974 1.00 0.00 C ATOM 1227 CD ARG A 98 82.411 49.873 -25.300 1.00 0.00 C ATOM 1228 NE ARG A 98 82.996 51.131 -25.807 1.00 0.00 N ATOM 1229 CZ ARG A 98 84.261 51.343 -26.131 1.00 0.00 C ATOM 1230 NH1 ARG A 98 85.166 50.408 -26.037 1.00 0.00 N ATOM 1231 NH2 ARG A 98 84.644 52.511 -26.560 1.00 0.00 N ATOM 0 H ARG A 98 79.420 49.948 -22.417 1.00 0.00 H new ATOM 0 HA ARG A 98 78.291 49.204 -24.989 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.862 48.450 -23.520 1.00 0.00 H new ATOM 0 HB3 ARG A 98 80.475 47.940 -25.152 1.00 0.00 H new ATOM 0 HG2 ARG A 98 80.384 50.346 -25.871 1.00 0.00 H new ATOM 0 HG3 ARG A 98 80.798 50.842 -24.242 1.00 0.00 H new ATOM 0 HD2 ARG A 98 82.947 49.554 -24.406 1.00 0.00 H new ATOM 0 HD3 ARG A 98 82.535 49.086 -26.044 1.00 0.00 H new ATOM 0 HE ARG A 98 82.358 51.919 -25.919 1.00 0.00 H new ATOM 0 HH11 ARG A 98 84.907 49.479 -25.705 1.00 0.00 H new ATOM 0 HH12 ARG A 98 86.133 50.606 -26.295 1.00 0.00 H new ATOM 0 HH21 ARG A 98 83.967 53.269 -26.648 1.00 0.00 H new ATOM 0 HH22 ARG A 98 85.621 52.668 -26.808 1.00 0.00 H new ATOM 1245 N LEU A 99 77.927 46.703 -24.801 1.00 0.00 N ATOM 1246 CA LEU A 99 77.241 45.404 -24.765 1.00 0.00 C ATOM 1247 C LEU A 99 77.952 44.428 -25.722 1.00 0.00 C ATOM 1248 O LEU A 99 78.207 44.772 -26.879 1.00 0.00 O ATOM 1249 CB LEU A 99 75.778 45.686 -25.163 1.00 0.00 C ATOM 1250 CG LEU A 99 74.712 44.572 -25.135 1.00 0.00 C ATOM 1251 CD1 LEU A 99 74.864 43.667 -26.361 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.674 43.790 -23.825 1.00 0.00 C ATOM 0 H LEU A 99 78.172 46.976 -25.753 1.00 0.00 H new ATOM 0 HA LEU A 99 77.263 44.933 -23.782 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.420 46.485 -24.514 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.796 46.084 -26.178 1.00 0.00 H new ATOM 0 HG LEU A 99 73.737 45.057 -25.185 1.00 0.00 H new ATOM 0 HD11 LEU A 99 74.106 42.884 -26.331 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.739 44.259 -27.268 1.00 0.00 H new ATOM 0 HD13 LEU A 99 75.855 43.213 -26.358 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.900 43.024 -23.881 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.641 43.317 -23.656 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.453 44.470 -23.002 1.00 0.00 H new ATOM 1264 N ASP A 100 78.266 43.214 -25.257 1.00 0.00 N ATOM 1265 CA ASP A 100 78.908 42.160 -26.060 1.00 0.00 C ATOM 1266 C ASP A 100 78.264 40.791 -25.781 1.00 0.00 C ATOM 1267 O ASP A 100 78.099 40.397 -24.625 1.00 0.00 O ATOM 1268 CB ASP A 100 80.423 42.147 -25.783 1.00 0.00 C ATOM 1269 CG ASP A 100 81.239 41.219 -26.712 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.661 40.530 -27.586 1.00 0.00 O ATOM 1271 OD2 ASP A 100 82.484 41.194 -26.566 1.00 0.00 O ATOM 0 H ASP A 100 78.079 42.928 -24.296 1.00 0.00 H new ATOM 0 HA ASP A 100 78.757 42.373 -27.118 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.805 43.163 -25.879 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.588 41.841 -24.750 1.00 0.00 H new ATOM 1276 N MET A 101 77.885 40.079 -26.847 1.00 0.00 N ATOM 1277 CA MET A 101 77.217 38.771 -26.805 1.00 0.00 C ATOM 1278 C MET A 101 77.926 37.690 -27.647 1.00 0.00 C ATOM 1279 O MET A 101 77.341 36.640 -27.927 1.00 0.00 O ATOM 1280 CB MET A 101 75.738 38.946 -27.190 1.00 0.00 C ATOM 1281 CG MET A 101 74.964 39.787 -26.172 1.00 0.00 C ATOM 1282 SD MET A 101 73.211 39.939 -26.586 1.00 0.00 S ATOM 1283 CE MET A 101 72.641 40.889 -25.156 1.00 0.00 C ATOM 0 H MET A 101 78.040 40.409 -27.800 1.00 0.00 H new ATOM 0 HA MET A 101 77.276 38.395 -25.783 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.674 39.418 -28.170 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.270 37.965 -27.278 1.00 0.00 H new ATOM 0 HG2 MET A 101 75.063 39.337 -25.184 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.408 40.781 -26.115 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.713 40.458 -24.780 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.399 40.858 -24.373 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.467 41.923 -25.452 1.00 0.00 H new ATOM 1293 N SER A 102 79.186 37.915 -28.036 1.00 0.00 N ATOM 1294 CA SER A 102 80.062 36.859 -28.565 1.00 0.00 C ATOM 1295 C SER A 102 80.321 35.787 -27.498 1.00 0.00 C ATOM 1296 O SER A 102 80.385 36.099 -26.308 1.00 0.00 O ATOM 1297 CB SER A 102 81.389 37.472 -29.032 1.00 0.00 C ATOM 1298 OG SER A 102 82.251 36.467 -29.546 1.00 0.00 O ATOM 0 H SER A 102 79.629 38.833 -27.994 1.00 0.00 H new ATOM 0 HA SER A 102 79.567 36.386 -29.413 1.00 0.00 H new ATOM 0 HB2 SER A 102 81.199 38.223 -29.799 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.873 37.983 -28.199 1.00 0.00 H new ATOM 0 HG SER A 102 83.091 36.876 -29.841 1.00 0.00 H new ATOM 1304 N ASP A 103 80.520 34.526 -27.893 1.00 0.00 N ATOM 1305 CA ASP A 103 80.803 33.424 -26.955 1.00 0.00 C ATOM 1306 C ASP A 103 82.038 33.704 -26.079 1.00 0.00 C ATOM 1307 O ASP A 103 82.052 33.363 -24.894 1.00 0.00 O ATOM 1308 CB ASP A 103 80.988 32.117 -27.732 1.00 0.00 C ATOM 1309 CG ASP A 103 79.709 31.704 -28.477 1.00 0.00 C ATOM 1310 OD1 ASP A 103 78.785 31.151 -27.834 1.00 0.00 O ATOM 1311 OD2 ASP A 103 79.628 31.924 -29.710 1.00 0.00 O ATOM 0 H ASP A 103 80.490 34.236 -28.870 1.00 0.00 H new ATOM 0 HA ASP A 103 79.949 33.335 -26.284 1.00 0.00 H new ATOM 0 HB2 ASP A 103 81.803 32.233 -28.447 1.00 0.00 H new ATOM 0 HB3 ASP A 103 81.278 31.324 -27.043 1.00 0.00 H new ATOM 1316 N LYS A 104 83.028 34.434 -26.617 1.00 0.00 N ATOM 1317 CA LYS A 104 84.218 34.891 -25.879 1.00 0.00 C ATOM 1318 C LYS A 104 83.874 35.782 -24.682 1.00 0.00 C ATOM 1319 O LYS A 104 84.533 35.671 -23.652 1.00 0.00 O ATOM 1320 CB LYS A 104 85.188 35.602 -26.838 1.00 0.00 C ATOM 1321 CG LYS A 104 85.782 34.633 -27.879 1.00 0.00 C ATOM 1322 CD LYS A 104 86.771 35.306 -28.844 1.00 0.00 C ATOM 1323 CE LYS A 104 88.054 35.779 -28.141 1.00 0.00 C ATOM 1324 NZ LYS A 104 89.033 36.351 -29.109 1.00 0.00 N ATOM 0 H LYS A 104 83.025 34.729 -27.594 1.00 0.00 H new ATOM 0 HA LYS A 104 84.703 34.006 -25.466 1.00 0.00 H new ATOM 0 HB2 LYS A 104 84.665 36.409 -27.351 1.00 0.00 H new ATOM 0 HB3 LYS A 104 85.995 36.059 -26.265 1.00 0.00 H new ATOM 0 HG2 LYS A 104 86.289 33.820 -27.360 1.00 0.00 H new ATOM 0 HG3 LYS A 104 84.971 34.187 -28.454 1.00 0.00 H new ATOM 0 HD2 LYS A 104 87.033 34.605 -29.637 1.00 0.00 H new ATOM 0 HD3 LYS A 104 86.286 36.159 -29.319 1.00 0.00 H new ATOM 0 HE2 LYS A 104 87.803 36.529 -27.391 1.00 0.00 H new ATOM 0 HE3 LYS A 104 88.510 34.941 -27.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 89.885 36.659 -28.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 89.291 35.627 -29.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 88.606 37.166 -29.594 1.00 0.00 H new ATOM 1338 N ALA A 105 82.814 36.593 -24.757 1.00 0.00 N ATOM 1339 CA ALA A 105 82.328 37.387 -23.622 1.00 0.00 C ATOM 1340 C ALA A 105 81.873 36.490 -22.462 1.00 0.00 C ATOM 1341 O ALA A 105 82.203 36.750 -21.305 1.00 0.00 O ATOM 1342 CB ALA A 105 81.222 38.340 -24.093 1.00 0.00 C ATOM 0 H ALA A 105 82.267 36.718 -25.609 1.00 0.00 H new ATOM 0 HA ALA A 105 83.149 37.990 -23.234 1.00 0.00 H new ATOM 0 HB1 ALA A 105 80.864 38.928 -23.248 1.00 0.00 H new ATOM 0 HB2 ALA A 105 81.619 39.008 -24.857 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.397 37.762 -24.509 1.00 0.00 H new ATOM 1348 N ILE A 106 81.190 35.388 -22.779 1.00 0.00 N ATOM 1349 CA ILE A 106 80.688 34.427 -21.792 1.00 0.00 C ATOM 1350 C ILE A 106 81.862 33.640 -21.206 1.00 0.00 C ATOM 1351 O ILE A 106 81.987 33.578 -19.989 1.00 0.00 O ATOM 1352 CB ILE A 106 79.578 33.542 -22.410 1.00 0.00 C ATOM 1353 CG1 ILE A 106 78.248 34.313 -22.577 1.00 0.00 C ATOM 1354 CG2 ILE A 106 79.277 32.304 -21.541 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.281 35.543 -23.498 1.00 0.00 C ATOM 0 H ILE A 106 80.967 35.134 -23.741 1.00 0.00 H new ATOM 0 HA ILE A 106 80.214 34.947 -20.960 1.00 0.00 H new ATOM 0 HB ILE A 106 79.963 33.237 -23.383 1.00 0.00 H new ATOM 0 HG12 ILE A 106 77.498 33.621 -22.959 1.00 0.00 H new ATOM 0 HG13 ILE A 106 77.913 34.634 -21.591 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.493 31.711 -22.012 1.00 0.00 H new ATOM 0 HG22 ILE A 106 80.179 31.700 -21.443 1.00 0.00 H new ATOM 0 HG23 ILE A 106 78.946 32.625 -20.553 1.00 0.00 H new ATOM 0 HD11 ILE A 106 77.291 35.997 -23.534 1.00 0.00 H new ATOM 0 HD12 ILE A 106 78.999 36.267 -23.113 1.00 0.00 H new ATOM 0 HD13 ILE A 106 78.577 35.238 -24.502 1.00 0.00 H new ATOM 1367 N PHE A 107 82.776 33.131 -22.040 1.00 0.00 N ATOM 1368 CA PHE A 107 83.981 32.424 -21.574 1.00 0.00 C ATOM 1369 C PHE A 107 84.831 33.275 -20.615 1.00 0.00 C ATOM 1370 O PHE A 107 85.284 32.789 -19.578 1.00 0.00 O ATOM 1371 CB PHE A 107 84.878 32.042 -22.761 1.00 0.00 C ATOM 1372 CG PHE A 107 84.285 31.239 -23.902 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.157 30.410 -23.734 1.00 0.00 C ATOM 1374 CD2 PHE A 107 84.919 31.311 -25.154 1.00 0.00 C ATOM 1375 CE1 PHE A 107 82.672 29.657 -24.818 1.00 0.00 C ATOM 1376 CE2 PHE A 107 84.435 30.557 -26.239 1.00 0.00 C ATOM 1377 CZ PHE A 107 83.316 29.724 -26.067 1.00 0.00 C ATOM 0 H PHE A 107 82.704 33.196 -23.055 1.00 0.00 H new ATOM 0 HA PHE A 107 83.622 31.539 -21.049 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.278 32.965 -23.181 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.723 31.478 -22.367 1.00 0.00 H new ATOM 0 HD1 PHE A 107 82.666 30.353 -22.774 1.00 0.00 H new ATOM 0 HD2 PHE A 107 85.782 31.948 -25.284 1.00 0.00 H new ATOM 0 HE1 PHE A 107 81.804 29.027 -24.692 1.00 0.00 H new ATOM 0 HE2 PHE A 107 84.922 30.618 -27.201 1.00 0.00 H new ATOM 0 HZ PHE A 107 82.950 29.135 -26.895 1.00 0.00 H new ATOM 1387 N ARG A 108 85.059 34.550 -20.964 1.00 0.00 N ATOM 1388 CA ARG A 108 85.954 35.460 -20.241 1.00 0.00 C ATOM 1389 C ARG A 108 85.317 35.994 -18.954 1.00 0.00 C ATOM 1390 O ARG A 108 86.009 36.094 -17.941 1.00 0.00 O ATOM 1391 CB ARG A 108 86.390 36.537 -21.252 1.00 0.00 C ATOM 1392 CG ARG A 108 87.666 37.316 -20.901 1.00 0.00 C ATOM 1393 CD ARG A 108 87.464 38.663 -20.186 1.00 0.00 C ATOM 1394 NE ARG A 108 87.191 38.511 -18.745 1.00 0.00 N ATOM 1395 CZ ARG A 108 86.938 39.469 -17.872 1.00 0.00 C ATOM 1396 NH1 ARG A 108 86.918 40.728 -18.208 1.00 0.00 N ATOM 1397 NH2 ARG A 108 86.697 39.167 -16.629 1.00 0.00 N ATOM 0 H ARG A 108 84.616 34.984 -21.774 1.00 0.00 H new ATOM 0 HA ARG A 108 86.843 34.949 -19.871 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.535 36.059 -22.221 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.574 37.250 -21.367 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.291 36.684 -20.270 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.221 37.496 -21.821 1.00 0.00 H new ATOM 0 HD2 ARG A 108 88.355 39.277 -20.319 1.00 0.00 H new ATOM 0 HD3 ARG A 108 86.636 39.196 -20.653 1.00 0.00 H new ATOM 0 HE ARG A 108 87.198 37.558 -18.381 1.00 0.00 H new ATOM 0 HH11 ARG A 108 87.102 41.001 -19.173 1.00 0.00 H new ATOM 0 HH12 ARG A 108 86.719 41.440 -17.506 1.00 0.00 H new ATOM 0 HH21 ARG A 108 86.704 38.192 -16.331 1.00 0.00 H new ATOM 0 HH22 ARG A 108 86.501 39.906 -15.953 1.00 0.00 H new ATOM 1411 N ARG A 109 84.012 36.300 -18.962 1.00 0.00 N ATOM 1412 CA ARG A 109 83.260 36.742 -17.767 1.00 0.00 C ATOM 1413 C ARG A 109 82.946 35.583 -16.808 1.00 0.00 C ATOM 1414 O ARG A 109 82.987 35.767 -15.593 1.00 0.00 O ATOM 1415 CB ARG A 109 81.992 37.477 -18.235 1.00 0.00 C ATOM 1416 CG ARG A 109 81.250 38.183 -17.089 1.00 0.00 C ATOM 1417 CD ARG A 109 80.059 39.005 -17.601 1.00 0.00 C ATOM 1418 NE ARG A 109 80.494 40.167 -18.408 1.00 0.00 N ATOM 1419 CZ ARG A 109 80.846 41.366 -17.970 1.00 0.00 C ATOM 1420 NH1 ARG A 109 80.833 41.675 -16.705 1.00 0.00 N ATOM 1421 NH2 ARG A 109 81.226 42.286 -18.807 1.00 0.00 N ATOM 0 H ARG A 109 83.438 36.249 -19.804 1.00 0.00 H new ATOM 0 HA ARG A 109 83.879 37.426 -17.187 1.00 0.00 H new ATOM 0 HB2 ARG A 109 82.264 38.212 -18.992 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.320 36.763 -18.711 1.00 0.00 H new ATOM 0 HG2 ARG A 109 80.898 37.441 -16.372 1.00 0.00 H new ATOM 0 HG3 ARG A 109 81.941 38.837 -16.557 1.00 0.00 H new ATOM 0 HD2 ARG A 109 79.411 38.368 -18.203 1.00 0.00 H new ATOM 0 HD3 ARG A 109 79.467 39.353 -16.754 1.00 0.00 H new ATOM 0 HE ARG A 109 80.526 40.028 -19.418 1.00 0.00 H new ATOM 0 HH11 ARG A 109 80.545 40.983 -16.014 1.00 0.00 H new ATOM 0 HH12 ARG A 109 81.111 42.609 -16.405 1.00 0.00 H new ATOM 0 HH21 ARG A 109 81.254 42.086 -19.807 1.00 0.00 H new ATOM 0 HH22 ARG A 109 81.496 43.208 -18.464 1.00 0.00 H new ATOM 1435 N TYR A 110 82.677 34.398 -17.358 1.00 0.00 N ATOM 1436 CA TYR A 110 82.241 33.193 -16.644 1.00 0.00 C ATOM 1437 C TYR A 110 83.128 31.984 -17.019 1.00 0.00 C ATOM 1438 O TYR A 110 82.757 31.183 -17.884 1.00 0.00 O ATOM 1439 CB TYR A 110 80.753 32.954 -16.951 1.00 0.00 C ATOM 1440 CG TYR A 110 79.844 34.131 -16.660 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.713 34.614 -15.344 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.145 34.753 -17.712 1.00 0.00 C ATOM 1443 CE1 TYR A 110 78.894 35.731 -15.090 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.303 35.852 -17.455 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.176 36.345 -16.137 1.00 0.00 C ATOM 1446 OH TYR A 110 77.363 37.404 -15.866 1.00 0.00 O ATOM 0 H TYR A 110 82.761 34.243 -18.363 1.00 0.00 H new ATOM 0 HA TYR A 110 82.353 33.328 -15.568 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.652 32.687 -18.003 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.410 32.097 -16.371 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.238 34.130 -14.534 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.255 34.385 -18.721 1.00 0.00 H new ATOM 0 HE1 TYR A 110 78.815 36.120 -14.086 1.00 0.00 H new ATOM 0 HE2 TYR A 110 77.756 36.316 -18.262 1.00 0.00 H new ATOM 0 HH TYR A 110 76.941 37.713 -16.695 1.00 0.00 H new ATOM 1456 N PRO A 111 84.308 31.815 -16.386 1.00 0.00 N ATOM 1457 CA PRO A 111 85.290 30.796 -16.779 1.00 0.00 C ATOM 1458 C PRO A 111 84.813 29.348 -16.565 1.00 0.00 C ATOM 1459 O PRO A 111 85.345 28.429 -17.191 1.00 0.00 O ATOM 1460 CB PRO A 111 86.551 31.116 -15.970 1.00 0.00 C ATOM 1461 CG PRO A 111 86.018 31.840 -14.736 1.00 0.00 C ATOM 1462 CD PRO A 111 84.834 32.627 -15.295 1.00 0.00 C ATOM 0 HA PRO A 111 85.469 30.840 -17.853 1.00 0.00 H new ATOM 0 HB2 PRO A 111 87.093 30.210 -15.699 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.240 31.743 -16.535 1.00 0.00 H new ATOM 0 HG2 PRO A 111 85.709 31.141 -13.958 1.00 0.00 H new ATOM 0 HG3 PRO A 111 86.769 32.496 -14.295 1.00 0.00 H new ATOM 0 HD2 PRO A 111 84.077 32.794 -14.529 1.00 0.00 H new ATOM 0 HD3 PRO A 111 85.148 33.608 -15.652 1.00 0.00 H new ATOM 1470 N HIS A 112 83.786 29.130 -15.734 1.00 0.00 N ATOM 1471 CA HIS A 112 83.138 27.824 -15.553 1.00 0.00 C ATOM 1472 C HIS A 112 82.244 27.416 -16.741 1.00 0.00 C ATOM 1473 O HIS A 112 81.968 26.229 -16.926 1.00 0.00 O ATOM 1474 CB HIS A 112 82.326 27.855 -14.251 1.00 0.00 C ATOM 1475 CG HIS A 112 81.024 28.619 -14.337 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.859 29.937 -14.785 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.802 28.100 -14.029 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.538 30.182 -14.706 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.892 29.108 -14.239 1.00 0.00 N ATOM 0 H HIS A 112 83.376 29.866 -15.160 1.00 0.00 H new ATOM 0 HA HIS A 112 83.921 27.068 -15.500 1.00 0.00 H new ATOM 0 HB2 HIS A 112 82.111 26.830 -13.948 1.00 0.00 H new ATOM 0 HB3 HIS A 112 82.940 28.297 -13.466 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.591 27.097 -13.688 1.00 0.00 H new ATOM 0 HE1 HIS A 112 79.066 31.114 -14.981 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.888 29.047 -14.067 1.00 0.00 H new ATOM 1487 N LEU A 113 81.796 28.389 -17.544 1.00 0.00 N ATOM 1488 CA LEU A 113 80.832 28.233 -18.631 1.00 0.00 C ATOM 1489 C LEU A 113 81.481 27.912 -20.005 1.00 0.00 C ATOM 1490 O LEU A 113 80.782 27.606 -20.978 1.00 0.00 O ATOM 1491 CB LEU A 113 79.994 29.534 -18.655 1.00 0.00 C ATOM 1492 CG LEU A 113 78.471 29.370 -18.704 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.044 28.404 -19.794 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.851 28.918 -17.392 1.00 0.00 C ATOM 0 H LEU A 113 82.114 29.353 -17.445 1.00 0.00 H new ATOM 0 HA LEU A 113 80.202 27.363 -18.447 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.245 30.117 -17.769 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.301 30.121 -19.521 1.00 0.00 H new ATOM 0 HG LEU A 113 78.102 30.373 -18.919 1.00 0.00 H new ATOM 0 HD11 LEU A 113 76.958 28.315 -19.796 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.380 28.776 -20.762 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.488 27.426 -19.608 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.772 28.826 -17.512 1.00 0.00 H new ATOM 0 HD22 LEU A 113 78.268 27.952 -17.106 1.00 0.00 H new ATOM 0 HD23 LEU A 113 78.069 29.651 -16.615 1.00 0.00 H new ATOM 1506 N ARG A 114 82.818 27.981 -20.098 1.00 0.00 N ATOM 1507 CA ARG A 114 83.605 27.618 -21.291 1.00 0.00 C ATOM 1508 C ARG A 114 83.614 26.095 -21.502 1.00 0.00 C ATOM 1509 O ARG A 114 84.144 25.358 -20.637 1.00 0.00 O ATOM 1510 CB ARG A 114 85.010 28.244 -21.179 1.00 0.00 C ATOM 1511 CG ARG A 114 85.866 28.181 -22.459 1.00 0.00 C ATOM 1512 CD ARG A 114 86.501 26.810 -22.725 1.00 0.00 C ATOM 1513 NE ARG A 114 87.451 26.860 -23.853 1.00 0.00 N ATOM 1514 CZ ARG A 114 88.195 25.863 -24.292 1.00 0.00 C ATOM 1515 NH1 ARG A 114 88.161 24.680 -23.748 1.00 0.00 N ATOM 1516 NH2 ARG A 114 89.001 26.039 -25.300 1.00 0.00 N ATOM 1517 OXT ARG A 114 83.076 25.641 -22.538 1.00 0.00 O ATOM 0 H ARG A 114 83.400 28.300 -19.324 1.00 0.00 H new ATOM 0 HA ARG A 114 83.143 28.026 -22.190 1.00 0.00 H new ATOM 0 HB2 ARG A 114 84.902 29.288 -20.886 1.00 0.00 H new ATOM 0 HB3 ARG A 114 85.550 27.742 -20.376 1.00 0.00 H new ATOM 0 HG2 ARG A 114 85.244 28.452 -23.312 1.00 0.00 H new ATOM 0 HG3 ARG A 114 86.657 28.928 -22.391 1.00 0.00 H new ATOM 0 HD2 ARG A 114 87.018 26.468 -21.828 1.00 0.00 H new ATOM 0 HD3 ARG A 114 85.719 26.082 -22.940 1.00 0.00 H new ATOM 0 HE ARG A 114 87.541 27.752 -24.340 1.00 0.00 H new ATOM 0 HH11 ARG A 114 87.544 24.501 -22.955 1.00 0.00 H new ATOM 0 HH12 ARG A 114 88.751 23.933 -24.115 1.00 0.00 H new ATOM 0 HH21 ARG A 114 89.059 26.951 -25.754 1.00 0.00 H new ATOM 0 HH22 ARG A 114 89.574 25.265 -25.636 1.00 0.00 H new