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 Set 1.1: A 75 THR OG1 : rot 126:sc= 1.02 USER MOD Set 1.2: A 77 SER OG : rot 180:sc= 0.51 USER MOD Single : A 28 SER OG : rot 180:sc= 0 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 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=-0.44) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= 2.02 (180deg=1.69) 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= -1.18 (180deg=-4.84!) 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= 0.0601 K(o=0.06,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 171 N SER A 28 124.366 82.724 -26.198 1.00 0.00 N ATOM 172 CA SER A 28 123.422 81.868 -26.945 1.00 0.00 C ATOM 173 C SER A 28 121.934 82.035 -26.564 1.00 0.00 C ATOM 174 O SER A 28 121.587 82.588 -25.516 1.00 0.00 O ATOM 175 CB SER A 28 123.879 80.401 -26.922 1.00 0.00 C ATOM 176 OG SER A 28 123.278 79.677 -27.987 1.00 0.00 O ATOM 0 HA SER A 28 123.458 82.226 -27.974 1.00 0.00 H new ATOM 0 HB2 SER A 28 124.965 80.350 -27.007 1.00 0.00 H new ATOM 0 HB3 SER A 28 123.612 79.945 -25.968 1.00 0.00 H new ATOM 0 HG SER A 28 123.580 78.745 -27.960 1.00 0.00 H new ATOM 182 N VAL A 29 121.045 81.589 -27.460 1.00 0.00 N ATOM 183 CA VAL A 29 119.573 81.724 -27.392 1.00 0.00 C ATOM 184 C VAL A 29 118.859 80.480 -27.945 1.00 0.00 C ATOM 185 O VAL A 29 119.385 79.784 -28.818 1.00 0.00 O ATOM 186 CB VAL A 29 119.072 82.982 -28.142 1.00 0.00 C ATOM 187 CG1 VAL A 29 119.448 84.276 -27.413 1.00 0.00 C ATOM 188 CG2 VAL A 29 119.579 83.084 -29.589 1.00 0.00 C ATOM 0 H VAL A 29 121.344 81.096 -28.301 1.00 0.00 H new ATOM 0 HA VAL A 29 119.328 81.828 -26.335 1.00 0.00 H new ATOM 0 HB VAL A 29 117.989 82.864 -28.165 1.00 0.00 H new ATOM 0 HG11 VAL A 29 119.076 85.132 -27.976 1.00 0.00 H new ATOM 0 HG12 VAL A 29 119.004 84.275 -26.418 1.00 0.00 H new ATOM 0 HG13 VAL A 29 120.532 84.343 -27.326 1.00 0.00 H new ATOM 0 HG21 VAL A 29 119.186 83.991 -30.049 1.00 0.00 H new ATOM 0 HG22 VAL A 29 120.668 83.119 -29.591 1.00 0.00 H new ATOM 0 HG23 VAL A 29 119.243 82.215 -30.155 1.00 0.00 H new ATOM 198 N SER A 30 117.639 80.211 -27.463 1.00 0.00 N ATOM 199 CA SER A 30 116.834 79.044 -27.878 1.00 0.00 C ATOM 200 C SER A 30 116.238 79.186 -29.289 1.00 0.00 C ATOM 201 O SER A 30 116.141 78.197 -30.019 1.00 0.00 O ATOM 202 CB SER A 30 115.703 78.792 -26.870 1.00 0.00 C ATOM 203 OG SER A 30 116.227 78.637 -25.556 1.00 0.00 O ATOM 0 H SER A 30 117.175 80.798 -26.769 1.00 0.00 H new ATOM 0 HA SER A 30 117.518 78.196 -27.902 1.00 0.00 H new ATOM 0 HB2 SER A 30 114.999 79.624 -26.890 1.00 0.00 H new ATOM 0 HB3 SER A 30 115.148 77.898 -27.154 1.00 0.00 H new ATOM 0 HG SER A 30 115.492 78.479 -24.927 1.00 0.00 H new ATOM 209 N PHE A 31 115.867 80.414 -29.682 1.00 0.00 N ATOM 210 CA PHE A 31 115.417 80.800 -31.034 1.00 0.00 C ATOM 211 C PHE A 31 114.272 79.930 -31.616 1.00 0.00 C ATOM 212 O PHE A 31 114.242 79.619 -32.810 1.00 0.00 O ATOM 213 CB PHE A 31 116.650 80.951 -31.946 1.00 0.00 C ATOM 214 CG PHE A 31 116.466 81.906 -33.114 1.00 0.00 C ATOM 215 CD1 PHE A 31 116.452 83.296 -32.884 1.00 0.00 C ATOM 216 CD2 PHE A 31 116.334 81.417 -34.430 1.00 0.00 C ATOM 217 CE1 PHE A 31 116.296 84.190 -33.960 1.00 0.00 C ATOM 218 CE2 PHE A 31 116.177 82.311 -35.505 1.00 0.00 C ATOM 219 CZ PHE A 31 116.157 83.698 -35.270 1.00 0.00 C ATOM 0 H PHE A 31 115.872 81.205 -29.037 1.00 0.00 H new ATOM 0 HA PHE A 31 114.925 81.770 -30.965 1.00 0.00 H new ATOM 0 HB2 PHE A 31 117.490 81.295 -31.343 1.00 0.00 H new ATOM 0 HB3 PHE A 31 116.918 79.969 -32.336 1.00 0.00 H new ATOM 0 HD1 PHE A 31 116.561 83.677 -31.879 1.00 0.00 H new ATOM 0 HD2 PHE A 31 116.353 80.353 -34.613 1.00 0.00 H new ATOM 0 HE1 PHE A 31 116.283 85.255 -33.779 1.00 0.00 H new ATOM 0 HE2 PHE A 31 116.072 81.932 -36.511 1.00 0.00 H new ATOM 0 HZ PHE A 31 116.035 84.384 -36.095 1.00 0.00 H new ATOM 229 N GLY A 32 113.326 79.510 -30.764 1.00 0.00 N ATOM 230 CA GLY A 32 112.189 78.658 -31.148 1.00 0.00 C ATOM 231 C GLY A 32 111.153 79.370 -32.033 1.00 0.00 C ATOM 232 O GLY A 32 110.886 80.563 -31.857 1.00 0.00 O ATOM 0 H GLY A 32 113.328 79.756 -29.774 1.00 0.00 H new ATOM 0 HA2 GLY A 32 112.565 77.783 -31.677 1.00 0.00 H new ATOM 0 HA3 GLY A 32 111.696 78.297 -30.245 1.00 0.00 H new ATOM 236 N ALA A 33 110.558 78.629 -32.976 1.00 0.00 N ATOM 237 CA ALA A 33 109.544 79.120 -33.920 1.00 0.00 C ATOM 238 C ALA A 33 108.495 78.026 -34.264 1.00 0.00 C ATOM 239 O ALA A 33 108.460 77.535 -35.400 1.00 0.00 O ATOM 240 CB ALA A 33 110.277 79.673 -35.155 1.00 0.00 C ATOM 0 H ALA A 33 110.775 77.641 -33.108 1.00 0.00 H new ATOM 0 HA ALA A 33 108.962 79.924 -33.468 1.00 0.00 H new ATOM 0 HB1 ALA A 33 109.548 80.045 -35.875 1.00 0.00 H new ATOM 0 HB2 ALA A 33 110.936 80.487 -34.853 1.00 0.00 H new ATOM 0 HB3 ALA A 33 110.867 78.879 -35.614 1.00 0.00 H new ATOM 246 N PRO A 34 107.661 77.593 -33.293 1.00 0.00 N ATOM 247 CA PRO A 34 106.672 76.528 -33.486 1.00 0.00 C ATOM 248 C PRO A 34 105.510 76.942 -34.412 1.00 0.00 C ATOM 249 O PRO A 34 105.119 78.113 -34.467 1.00 0.00 O ATOM 250 CB PRO A 34 106.183 76.175 -32.077 1.00 0.00 C ATOM 251 CG PRO A 34 106.331 77.492 -31.317 1.00 0.00 C ATOM 252 CD PRO A 34 107.599 78.091 -31.924 1.00 0.00 C ATOM 0 HA PRO A 34 107.118 75.671 -33.991 1.00 0.00 H new ATOM 0 HB2 PRO A 34 105.150 75.828 -32.084 1.00 0.00 H new ATOM 0 HB3 PRO A 34 106.782 75.382 -31.629 1.00 0.00 H new ATOM 0 HG2 PRO A 34 105.468 78.142 -31.461 1.00 0.00 H new ATOM 0 HG3 PRO A 34 106.433 77.331 -30.244 1.00 0.00 H new ATOM 0 HD2 PRO A 34 107.564 79.180 -31.906 1.00 0.00 H new ATOM 0 HD3 PRO A 34 108.482 77.791 -31.359 1.00 0.00 H new ATOM 260 N SER A 35 104.934 75.962 -35.120 1.00 0.00 N ATOM 261 CA SER A 35 103.818 76.144 -36.070 1.00 0.00 C ATOM 262 C SER A 35 102.867 74.919 -36.149 1.00 0.00 C ATOM 263 O SER A 35 102.624 74.383 -37.238 1.00 0.00 O ATOM 264 CB SER A 35 104.380 76.551 -37.447 1.00 0.00 C ATOM 265 OG SER A 35 105.363 75.633 -37.922 1.00 0.00 O ATOM 0 H SER A 35 105.237 74.991 -35.049 1.00 0.00 H new ATOM 0 HA SER A 35 103.187 76.950 -35.696 1.00 0.00 H new ATOM 0 HB2 SER A 35 103.564 76.611 -38.167 1.00 0.00 H new ATOM 0 HB3 SER A 35 104.818 77.547 -37.378 1.00 0.00 H new ATOM 0 HG SER A 35 105.690 75.928 -38.797 1.00 0.00 H new ATOM 271 N PRO A 36 102.322 74.431 -35.011 1.00 0.00 N ATOM 272 CA PRO A 36 101.478 73.231 -34.969 1.00 0.00 C ATOM 273 C PRO A 36 100.137 73.401 -35.709 1.00 0.00 C ATOM 274 O PRO A 36 99.516 74.468 -35.676 1.00 0.00 O ATOM 275 CB PRO A 36 101.265 72.935 -33.480 1.00 0.00 C ATOM 276 CG PRO A 36 101.351 74.317 -32.835 1.00 0.00 C ATOM 277 CD PRO A 36 102.425 75.007 -33.675 1.00 0.00 C ATOM 0 HA PRO A 36 101.965 72.406 -35.488 1.00 0.00 H new ATOM 0 HB2 PRO A 36 100.299 72.464 -33.297 1.00 0.00 H new ATOM 0 HB3 PRO A 36 102.027 72.260 -33.090 1.00 0.00 H new ATOM 0 HG2 PRO A 36 100.399 74.846 -32.880 1.00 0.00 H new ATOM 0 HG3 PRO A 36 101.634 74.258 -31.784 1.00 0.00 H new ATOM 0 HD2 PRO A 36 102.267 76.085 -33.702 1.00 0.00 H new ATOM 0 HD3 PRO A 36 103.416 74.841 -33.254 1.00 0.00 H new ATOM 285 N LEU A 37 99.673 72.316 -36.343 1.00 0.00 N ATOM 286 CA LEU A 37 98.391 72.197 -37.058 1.00 0.00 C ATOM 287 C LEU A 37 97.749 70.815 -36.813 1.00 0.00 C ATOM 288 O LEU A 37 98.452 69.832 -36.554 1.00 0.00 O ATOM 289 CB LEU A 37 98.609 72.418 -38.571 1.00 0.00 C ATOM 290 CG LEU A 37 99.006 73.847 -38.994 1.00 0.00 C ATOM 291 CD1 LEU A 37 99.328 73.865 -40.490 1.00 0.00 C ATOM 292 CD2 LEU A 37 97.883 74.860 -38.749 1.00 0.00 C ATOM 0 H LEU A 37 100.210 71.449 -36.374 1.00 0.00 H new ATOM 0 HA LEU A 37 97.713 72.961 -36.677 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.384 71.731 -38.911 1.00 0.00 H new ATOM 0 HB3 LEU A 37 97.692 72.147 -39.094 1.00 0.00 H new ATOM 0 HG LEU A 37 99.870 74.128 -38.392 1.00 0.00 H new ATOM 0 HD11 LEU A 37 99.609 74.875 -40.790 1.00 0.00 H new ATOM 0 HD12 LEU A 37 100.154 73.184 -40.693 1.00 0.00 H new ATOM 0 HD13 LEU A 37 98.451 73.550 -41.055 1.00 0.00 H new ATOM 0 HD21 LEU A 37 98.212 75.851 -39.063 1.00 0.00 H new ATOM 0 HD22 LEU A 37 97.002 74.572 -39.322 1.00 0.00 H new ATOM 0 HD23 LEU A 37 97.636 74.879 -37.688 1.00 0.00 H new ATOM 304 N SER A 38 96.418 70.732 -36.914 1.00 0.00 N ATOM 305 CA SER A 38 95.634 69.500 -36.709 1.00 0.00 C ATOM 306 C SER A 38 94.313 69.483 -37.502 1.00 0.00 C ATOM 307 O SER A 38 93.811 70.530 -37.930 1.00 0.00 O ATOM 308 CB SER A 38 95.352 69.296 -35.211 1.00 0.00 C ATOM 309 OG SER A 38 94.603 70.377 -34.665 1.00 0.00 O ATOM 0 H SER A 38 95.837 71.538 -37.146 1.00 0.00 H new ATOM 0 HA SER A 38 96.239 68.677 -37.090 1.00 0.00 H new ATOM 0 HB2 SER A 38 94.805 68.364 -35.067 1.00 0.00 H new ATOM 0 HB3 SER A 38 96.295 69.198 -34.673 1.00 0.00 H new ATOM 0 HG SER A 38 94.440 70.214 -33.712 1.00 0.00 H new ATOM 315 N SER A 39 93.743 68.282 -37.679 1.00 0.00 N ATOM 316 CA SER A 39 92.464 68.024 -38.370 1.00 0.00 C ATOM 317 C SER A 39 91.615 66.992 -37.611 1.00 0.00 C ATOM 318 O SER A 39 92.155 66.089 -36.965 1.00 0.00 O ATOM 319 CB SER A 39 92.708 67.517 -39.801 1.00 0.00 C ATOM 320 OG SER A 39 93.411 68.477 -40.582 1.00 0.00 O ATOM 0 H SER A 39 94.176 67.426 -37.331 1.00 0.00 H new ATOM 0 HA SER A 39 91.923 68.970 -38.406 1.00 0.00 H new ATOM 0 HB2 SER A 39 93.277 66.588 -39.767 1.00 0.00 H new ATOM 0 HB3 SER A 39 91.753 67.289 -40.275 1.00 0.00 H new ATOM 0 HG SER A 39 93.552 68.124 -41.485 1.00 0.00 H new ATOM 326 N GLU A 40 90.284 67.107 -37.689 1.00 0.00 N ATOM 327 CA GLU A 40 89.328 66.240 -36.977 1.00 0.00 C ATOM 328 C GLU A 40 87.995 66.092 -37.743 1.00 0.00 C ATOM 329 O GLU A 40 87.453 67.080 -38.249 1.00 0.00 O ATOM 330 CB GLU A 40 89.095 66.824 -35.570 1.00 0.00 C ATOM 331 CG GLU A 40 88.181 65.964 -34.688 1.00 0.00 C ATOM 332 CD GLU A 40 88.149 66.514 -33.248 1.00 0.00 C ATOM 333 OE1 GLU A 40 87.513 67.570 -33.006 1.00 0.00 O ATOM 334 OE2 GLU A 40 88.766 65.898 -32.344 1.00 0.00 O ATOM 0 H GLU A 40 89.829 67.819 -38.260 1.00 0.00 H new ATOM 0 HA GLU A 40 89.749 65.237 -36.901 1.00 0.00 H new ATOM 0 HB2 GLU A 40 90.057 66.944 -35.072 1.00 0.00 H new ATOM 0 HB3 GLU A 40 88.660 67.819 -35.667 1.00 0.00 H new ATOM 0 HG2 GLU A 40 87.173 65.952 -35.102 1.00 0.00 H new ATOM 0 HG3 GLU A 40 88.536 64.933 -34.682 1.00 0.00 H new ATOM 341 N SER A 41 87.453 64.867 -37.784 1.00 0.00 N ATOM 342 CA SER A 41 86.163 64.520 -38.414 1.00 0.00 C ATOM 343 C SER A 41 85.407 63.468 -37.586 1.00 0.00 C ATOM 344 O SER A 41 85.987 62.456 -37.189 1.00 0.00 O ATOM 345 CB SER A 41 86.372 63.967 -39.834 1.00 0.00 C ATOM 346 OG SER A 41 86.976 64.928 -40.692 1.00 0.00 O ATOM 0 H SER A 41 87.914 64.059 -37.366 1.00 0.00 H new ATOM 0 HA SER A 41 85.576 65.437 -38.462 1.00 0.00 H new ATOM 0 HB2 SER A 41 86.998 63.076 -39.788 1.00 0.00 H new ATOM 0 HB3 SER A 41 85.412 63.661 -40.250 1.00 0.00 H new ATOM 0 HG SER A 41 87.095 64.541 -41.584 1.00 0.00 H new ATOM 352 N GLU A 42 84.110 63.689 -37.336 1.00 0.00 N ATOM 353 CA GLU A 42 83.270 62.794 -36.509 1.00 0.00 C ATOM 354 C GLU A 42 81.789 62.694 -36.936 1.00 0.00 C ATOM 355 O GLU A 42 81.034 61.929 -36.337 1.00 0.00 O ATOM 356 CB GLU A 42 83.388 63.203 -35.027 1.00 0.00 C ATOM 357 CG GLU A 42 82.851 64.609 -34.720 1.00 0.00 C ATOM 358 CD GLU A 42 82.884 64.886 -33.205 1.00 0.00 C ATOM 359 OE1 GLU A 42 83.963 65.227 -32.664 1.00 0.00 O ATOM 360 OE2 GLU A 42 81.825 64.771 -32.538 1.00 0.00 O ATOM 0 H GLU A 42 83.605 64.497 -37.701 1.00 0.00 H new ATOM 0 HA GLU A 42 83.663 61.789 -36.666 1.00 0.00 H new ATOM 0 HB2 GLU A 42 82.848 62.478 -34.417 1.00 0.00 H new ATOM 0 HB3 GLU A 42 84.435 63.153 -34.730 1.00 0.00 H new ATOM 0 HG2 GLU A 42 83.449 65.354 -35.244 1.00 0.00 H new ATOM 0 HG3 GLU A 42 81.830 64.702 -35.090 1.00 0.00 H new ATOM 367 N ASP A 43 81.358 63.422 -37.973 1.00 0.00 N ATOM 368 CA ASP A 43 79.931 63.645 -38.281 1.00 0.00 C ATOM 369 C ASP A 43 79.157 62.414 -38.799 1.00 0.00 C ATOM 370 O ASP A 43 77.923 62.407 -38.801 1.00 0.00 O ATOM 371 CB ASP A 43 79.789 64.845 -39.229 1.00 0.00 C ATOM 372 CG ASP A 43 80.296 64.548 -40.652 1.00 0.00 C ATOM 373 OD1 ASP A 43 81.532 64.569 -40.871 1.00 0.00 O ATOM 374 OD2 ASP A 43 79.462 64.315 -41.560 1.00 0.00 O ATOM 0 H ASP A 43 81.991 63.879 -38.630 1.00 0.00 H new ATOM 0 HA ASP A 43 79.453 63.860 -37.325 1.00 0.00 H new ATOM 0 HB2 ASP A 43 78.741 65.142 -39.277 1.00 0.00 H new ATOM 0 HB3 ASP A 43 80.342 65.691 -38.821 1.00 0.00 H new ATOM 379 N GLU A 44 79.875 61.356 -39.184 1.00 0.00 N ATOM 380 CA GLU A 44 79.323 60.044 -39.568 1.00 0.00 C ATOM 381 C GLU A 44 79.962 58.867 -38.791 1.00 0.00 C ATOM 382 O GLU A 44 79.624 57.703 -39.012 1.00 0.00 O ATOM 383 CB GLU A 44 79.429 59.895 -41.100 1.00 0.00 C ATOM 384 CG GLU A 44 78.456 58.868 -41.696 1.00 0.00 C ATOM 385 CD GLU A 44 78.468 58.932 -43.235 1.00 0.00 C ATOM 386 OE1 GLU A 44 79.365 58.322 -43.870 1.00 0.00 O ATOM 387 OE2 GLU A 44 77.575 59.586 -43.831 1.00 0.00 O ATOM 0 H GLU A 44 80.893 61.385 -39.241 1.00 0.00 H new ATOM 0 HA GLU A 44 78.271 60.003 -39.285 1.00 0.00 H new ATOM 0 HB2 GLU A 44 79.246 60.865 -41.563 1.00 0.00 H new ATOM 0 HB3 GLU A 44 80.448 59.607 -41.357 1.00 0.00 H new ATOM 0 HG2 GLU A 44 78.731 57.866 -41.367 1.00 0.00 H new ATOM 0 HG3 GLU A 44 77.448 59.059 -41.327 1.00 0.00 H new ATOM 631 N ALA A 61 66.816 33.733 -15.909 1.00 0.00 N ATOM 632 CA ALA A 61 68.111 33.125 -15.597 1.00 0.00 C ATOM 633 C ALA A 61 68.124 32.410 -14.234 1.00 0.00 C ATOM 634 O ALA A 61 67.595 32.928 -13.246 1.00 0.00 O ATOM 635 CB ALA A 61 69.216 34.187 -15.667 1.00 0.00 C ATOM 0 HA ALA A 61 68.297 32.356 -16.347 1.00 0.00 H new ATOM 0 HB1 ALA A 61 70.177 33.728 -15.434 1.00 0.00 H new ATOM 0 HB2 ALA A 61 69.250 34.611 -16.671 1.00 0.00 H new ATOM 0 HB3 ALA A 61 69.007 34.978 -14.946 1.00 0.00 H new ATOM 641 N ALA A 62 68.786 31.255 -14.173 1.00 0.00 N ATOM 642 CA ALA A 62 69.187 30.588 -12.936 1.00 0.00 C ATOM 643 C ALA A 62 70.582 31.061 -12.471 1.00 0.00 C ATOM 644 O ALA A 62 71.371 31.600 -13.254 1.00 0.00 O ATOM 645 CB ALA A 62 69.114 29.069 -13.137 1.00 0.00 C ATOM 0 H ALA A 62 69.066 30.742 -15.009 1.00 0.00 H new ATOM 0 HA ALA A 62 68.499 30.858 -12.135 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.412 28.566 -12.217 1.00 0.00 H new ATOM 0 HB2 ALA A 62 68.093 28.784 -13.392 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.785 28.776 -13.945 1.00 0.00 H new ATOM 651 N LEU A 63 70.879 30.866 -11.180 1.00 0.00 N ATOM 652 CA LEU A 63 72.113 31.315 -10.521 1.00 0.00 C ATOM 653 C LEU A 63 72.715 30.230 -9.617 1.00 0.00 C ATOM 654 O LEU A 63 72.000 29.376 -9.084 1.00 0.00 O ATOM 655 CB LEU A 63 71.822 32.572 -9.676 1.00 0.00 C ATOM 656 CG LEU A 63 71.379 33.823 -10.456 1.00 0.00 C ATOM 657 CD1 LEU A 63 71.065 34.948 -9.472 1.00 0.00 C ATOM 658 CD2 LEU A 63 72.474 34.318 -11.397 1.00 0.00 C ATOM 0 H LEU A 63 70.248 30.376 -10.545 1.00 0.00 H new ATOM 0 HA LEU A 63 72.837 31.540 -11.304 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.046 32.326 -8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.720 32.820 -9.110 1.00 0.00 H new ATOM 0 HG LEU A 63 70.502 33.551 -11.042 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.751 35.835 -10.022 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.264 34.633 -8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 63 71.956 35.180 -8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 63 72.124 35.202 -11.930 1.00 0.00 H new ATOM 0 HD22 LEU A 63 73.363 34.571 -10.819 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.718 33.535 -12.115 1.00 0.00 H new ATOM 670 N HIS A 64 74.024 30.324 -9.375 1.00 0.00 N ATOM 671 CA HIS A 64 74.699 29.638 -8.268 1.00 0.00 C ATOM 672 C HIS A 64 74.514 30.447 -6.975 1.00 0.00 C ATOM 673 O HIS A 64 74.552 31.677 -7.006 1.00 0.00 O ATOM 674 CB HIS A 64 76.180 29.458 -8.618 1.00 0.00 C ATOM 675 CG HIS A 64 76.449 28.414 -9.671 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.372 27.030 -9.483 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.861 28.669 -10.946 1.00 0.00 C ATOM 678 CE1 HIS A 64 76.744 26.486 -10.655 1.00 0.00 C ATOM 679 NE2 HIS A 64 77.045 27.444 -11.548 1.00 0.00 N ATOM 0 H HIS A 64 74.654 30.885 -9.948 1.00 0.00 H new ATOM 0 HA HIS A 64 74.265 28.651 -8.109 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.578 30.413 -8.961 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.725 29.192 -7.712 1.00 0.00 H new ATOM 0 HD2 HIS A 64 77.013 29.640 -11.395 1.00 0.00 H new ATOM 0 HE1 HIS A 64 76.794 25.425 -10.852 1.00 0.00 H new ATOM 0 HE2 HIS A 64 77.356 27.290 -12.507 1.00 0.00 H new ATOM 687 N ALA A 65 74.320 29.771 -5.839 1.00 0.00 N ATOM 688 CA ALA A 65 73.970 30.412 -4.563 1.00 0.00 C ATOM 689 C ALA A 65 75.129 30.496 -3.544 1.00 0.00 C ATOM 690 O ALA A 65 75.047 31.267 -2.585 1.00 0.00 O ATOM 691 CB ALA A 65 72.765 29.658 -3.982 1.00 0.00 C ATOM 0 H ALA A 65 74.401 28.756 -5.776 1.00 0.00 H new ATOM 0 HA ALA A 65 73.727 31.455 -4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.478 30.108 -3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.929 29.716 -4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.032 28.613 -3.822 1.00 0.00 H new ATOM 697 N GLU A 66 76.200 29.716 -3.733 1.00 0.00 N ATOM 698 CA GLU A 66 77.320 29.567 -2.785 1.00 0.00 C ATOM 699 C GLU A 66 78.688 29.514 -3.496 1.00 0.00 C ATOM 700 O GLU A 66 78.775 29.260 -4.702 1.00 0.00 O ATOM 701 CB GLU A 66 77.121 28.299 -1.931 1.00 0.00 C ATOM 702 CG GLU A 66 75.891 28.362 -1.015 1.00 0.00 C ATOM 703 CD GLU A 66 75.833 27.134 -0.086 1.00 0.00 C ATOM 704 OE1 GLU A 66 75.230 26.101 -0.470 1.00 0.00 O ATOM 705 OE2 GLU A 66 76.385 27.190 1.040 1.00 0.00 O ATOM 0 H GLU A 66 76.319 29.152 -4.575 1.00 0.00 H new ATOM 0 HA GLU A 66 77.322 30.449 -2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.028 27.437 -2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.010 28.139 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 66 75.924 29.273 -0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 66 74.985 28.409 -1.619 1.00 0.00 H new ATOM 712 N GLY A 67 79.769 29.739 -2.740 1.00 0.00 N ATOM 713 CA GLY A 67 81.149 29.708 -3.246 1.00 0.00 C ATOM 714 C GLY A 67 81.506 30.892 -4.165 1.00 0.00 C ATOM 715 O GLY A 67 80.810 31.914 -4.162 1.00 0.00 O ATOM 0 H GLY A 67 79.710 29.951 -1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.835 29.699 -2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.304 28.778 -3.792 1.00 0.00 H new ATOM 719 N PRO A 68 82.577 30.780 -4.979 1.00 0.00 N ATOM 720 CA PRO A 68 83.056 31.874 -5.835 1.00 0.00 C ATOM 721 C PRO A 68 82.091 32.236 -6.982 1.00 0.00 C ATOM 722 O PRO A 68 82.201 33.321 -7.553 1.00 0.00 O ATOM 723 CB PRO A 68 84.418 31.401 -6.359 1.00 0.00 C ATOM 724 CG PRO A 68 84.295 29.878 -6.355 1.00 0.00 C ATOM 725 CD PRO A 68 83.444 29.615 -5.115 1.00 0.00 C ATOM 0 HA PRO A 68 83.128 32.801 -5.266 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.618 31.784 -7.360 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.233 31.739 -5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.816 29.508 -7.261 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.269 29.393 -6.288 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.859 28.702 -5.228 1.00 0.00 H new ATOM 0 HD3 PRO A 68 84.069 29.486 -4.231 1.00 0.00 H new ATOM 733 N LEU A 69 81.129 31.358 -7.301 1.00 0.00 N ATOM 734 CA LEU A 69 80.075 31.597 -8.297 1.00 0.00 C ATOM 735 C LEU A 69 78.775 32.176 -7.703 1.00 0.00 C ATOM 736 O LEU A 69 77.814 32.346 -8.443 1.00 0.00 O ATOM 737 CB LEU A 69 79.819 30.313 -9.112 1.00 0.00 C ATOM 738 CG LEU A 69 80.981 29.881 -10.027 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.669 28.508 -10.616 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.230 30.862 -11.173 1.00 0.00 C ATOM 0 H LEU A 69 81.061 30.440 -6.863 1.00 0.00 H new ATOM 0 HA LEU A 69 80.441 32.375 -8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.599 29.500 -8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 69 78.929 30.460 -9.724 1.00 0.00 H new ATOM 0 HG LEU A 69 81.882 29.856 -9.414 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.487 28.196 -11.265 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.549 27.785 -9.809 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.747 28.561 -11.195 1.00 0.00 H new ATOM 0 HD21 LEU A 69 82.060 30.505 -11.783 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.333 30.938 -11.788 1.00 0.00 H new ATOM 0 HD23 LEU A 69 81.475 31.843 -10.766 1.00 0.00 H new ATOM 752 N ALA A 70 78.692 32.501 -6.409 1.00 0.00 N ATOM 753 CA ALA A 70 77.460 33.032 -5.821 1.00 0.00 C ATOM 754 C ALA A 70 76.998 34.334 -6.520 1.00 0.00 C ATOM 755 O ALA A 70 77.668 35.367 -6.451 1.00 0.00 O ATOM 756 CB ALA A 70 77.663 33.230 -4.314 1.00 0.00 C ATOM 0 H ALA A 70 79.464 32.405 -5.749 1.00 0.00 H new ATOM 0 HA ALA A 70 76.658 32.310 -5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.748 33.625 -3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 70 77.906 32.274 -3.851 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.480 33.932 -4.146 1.00 0.00 H new ATOM 762 N GLY A 71 75.847 34.268 -7.201 1.00 0.00 N ATOM 763 CA GLY A 71 75.290 35.339 -8.040 1.00 0.00 C ATOM 764 C GLY A 71 75.679 35.292 -9.532 1.00 0.00 C ATOM 765 O GLY A 71 75.342 36.217 -10.273 1.00 0.00 O ATOM 0 H GLY A 71 75.256 33.437 -7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 71 74.203 35.305 -7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.608 36.298 -7.631 1.00 0.00 H new ATOM 769 N LEU A 72 76.374 34.239 -9.985 1.00 0.00 N ATOM 770 CA LEU A 72 76.817 34.000 -11.365 1.00 0.00 C ATOM 771 C LEU A 72 75.971 32.883 -12.046 1.00 0.00 C ATOM 772 O LEU A 72 75.335 32.089 -11.346 1.00 0.00 O ATOM 773 CB LEU A 72 78.351 33.751 -11.356 1.00 0.00 C ATOM 774 CG LEU A 72 79.175 35.013 -10.999 1.00 0.00 C ATOM 775 CD1 LEU A 72 79.365 35.292 -9.505 1.00 0.00 C ATOM 776 CD2 LEU A 72 80.584 34.924 -11.586 1.00 0.00 C ATOM 0 H LEU A 72 76.659 33.486 -9.359 1.00 0.00 H new ATOM 0 HA LEU A 72 76.642 34.877 -11.989 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.580 32.962 -10.640 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.659 33.390 -12.337 1.00 0.00 H new ATOM 0 HG LEU A 72 78.575 35.820 -11.421 1.00 0.00 H new ATOM 0 HD11 LEU A 72 79.956 36.199 -9.376 1.00 0.00 H new ATOM 0 HD12 LEU A 72 78.391 35.424 -9.033 1.00 0.00 H new ATOM 0 HD13 LEU A 72 79.883 34.452 -9.041 1.00 0.00 H new ATOM 0 HD21 LEU A 72 81.145 35.821 -11.323 1.00 0.00 H new ATOM 0 HD22 LEU A 72 81.091 34.047 -11.183 1.00 0.00 H new ATOM 0 HD23 LEU A 72 80.522 34.840 -12.671 1.00 0.00 H new ATOM 788 N PRO A 73 75.899 32.835 -13.398 1.00 0.00 N ATOM 789 CA PRO A 73 74.961 31.991 -14.157 1.00 0.00 C ATOM 790 C PRO A 73 75.292 30.497 -14.105 1.00 0.00 C ATOM 791 O PRO A 73 76.422 30.115 -13.813 1.00 0.00 O ATOM 792 CB PRO A 73 75.036 32.492 -15.605 1.00 0.00 C ATOM 793 CG PRO A 73 76.424 33.104 -15.716 1.00 0.00 C ATOM 794 CD PRO A 73 76.695 33.635 -14.317 1.00 0.00 C ATOM 0 HA PRO A 73 73.965 32.075 -13.722 1.00 0.00 H new ATOM 0 HB2 PRO A 73 74.902 31.677 -16.316 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.259 33.227 -15.813 1.00 0.00 H new ATOM 0 HG2 PRO A 73 77.166 32.363 -16.014 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.452 33.901 -16.459 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.755 33.561 -14.075 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.425 34.689 -14.245 1.00 0.00 H new ATOM 802 N VAL A 74 74.339 29.637 -14.474 1.00 0.00 N ATOM 803 CA VAL A 74 74.536 28.176 -14.538 1.00 0.00 C ATOM 804 C VAL A 74 74.620 27.666 -15.989 1.00 0.00 C ATOM 805 O VAL A 74 75.313 26.680 -16.239 1.00 0.00 O ATOM 806 CB VAL A 74 73.439 27.444 -13.740 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.775 25.960 -13.533 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.215 28.048 -12.344 1.00 0.00 C ATOM 0 H VAL A 74 73.399 29.932 -14.740 1.00 0.00 H new ATOM 0 HA VAL A 74 75.497 27.952 -14.075 1.00 0.00 H new ATOM 0 HB VAL A 74 72.538 27.557 -14.343 1.00 0.00 H new ATOM 0 HG11 VAL A 74 72.976 25.482 -12.966 1.00 0.00 H new ATOM 0 HG12 VAL A 74 73.875 25.471 -14.502 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.712 25.872 -12.984 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.432 27.492 -11.829 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.140 27.989 -11.770 1.00 0.00 H new ATOM 0 HG23 VAL A 74 72.915 29.091 -12.443 1.00 0.00 H new ATOM 818 N THR A 75 73.985 28.347 -16.954 1.00 0.00 N ATOM 819 CA THR A 75 73.974 27.977 -18.392 1.00 0.00 C ATOM 820 C THR A 75 74.405 29.105 -19.343 1.00 0.00 C ATOM 821 O THR A 75 74.559 30.262 -18.952 1.00 0.00 O ATOM 822 CB THR A 75 72.600 27.442 -18.822 1.00 0.00 C ATOM 823 OG1 THR A 75 71.684 28.510 -18.836 1.00 0.00 O ATOM 824 CG2 THR A 75 72.095 26.334 -17.903 1.00 0.00 C ATOM 0 H THR A 75 73.449 29.193 -16.760 1.00 0.00 H new ATOM 0 HA THR A 75 74.725 27.192 -18.478 1.00 0.00 H new ATOM 0 HB THR A 75 72.700 27.008 -19.817 1.00 0.00 H new ATOM 0 HG1 THR A 75 71.254 28.561 -19.715 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.121 25.990 -18.250 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.799 25.502 -17.915 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.004 26.717 -16.887 1.00 0.00 H new ATOM 832 N ARG A 76 74.605 28.772 -20.628 1.00 0.00 N ATOM 833 CA ARG A 76 74.957 29.731 -21.701 1.00 0.00 C ATOM 834 C ARG A 76 73.822 30.735 -21.939 1.00 0.00 C ATOM 835 O ARG A 76 74.066 31.935 -22.064 1.00 0.00 O ATOM 836 CB ARG A 76 75.307 28.896 -22.951 1.00 0.00 C ATOM 837 CG ARG A 76 75.960 29.649 -24.125 1.00 0.00 C ATOM 838 CD ARG A 76 76.239 28.620 -25.234 1.00 0.00 C ATOM 839 NE ARG A 76 76.899 29.188 -26.427 1.00 0.00 N ATOM 840 CZ ARG A 76 77.038 28.584 -27.595 1.00 0.00 C ATOM 841 NH1 ARG A 76 76.603 27.374 -27.823 1.00 0.00 N ATOM 842 NH2 ARG A 76 77.637 29.199 -28.566 1.00 0.00 N ATOM 0 H ARG A 76 74.526 27.812 -20.962 1.00 0.00 H new ATOM 0 HA ARG A 76 75.816 30.342 -21.425 1.00 0.00 H new ATOM 0 HB2 ARG A 76 75.978 28.093 -22.647 1.00 0.00 H new ATOM 0 HB3 ARG A 76 74.392 28.427 -23.314 1.00 0.00 H new ATOM 0 HG2 ARG A 76 75.301 30.437 -24.490 1.00 0.00 H new ATOM 0 HG3 ARG A 76 76.885 30.129 -23.806 1.00 0.00 H new ATOM 0 HD2 ARG A 76 76.865 27.825 -24.829 1.00 0.00 H new ATOM 0 HD3 ARG A 76 75.297 28.162 -25.536 1.00 0.00 H new ATOM 0 HE ARG A 76 77.282 30.130 -26.342 1.00 0.00 H new ATOM 0 HH11 ARG A 76 76.133 26.853 -27.083 1.00 0.00 H new ATOM 0 HH12 ARG A 76 76.734 26.950 -28.741 1.00 0.00 H new ATOM 0 HH21 ARG A 76 77.998 30.143 -28.426 1.00 0.00 H new ATOM 0 HH22 ARG A 76 77.748 28.739 -29.470 1.00 0.00 H new ATOM 856 N SER A 77 72.578 30.257 -21.886 1.00 0.00 N ATOM 857 CA SER A 77 71.370 31.092 -21.897 1.00 0.00 C ATOM 858 C SER A 77 71.259 31.957 -20.637 1.00 0.00 C ATOM 859 O SER A 77 70.984 33.150 -20.775 1.00 0.00 O ATOM 860 CB SER A 77 70.116 30.234 -22.107 1.00 0.00 C ATOM 861 OG SER A 77 70.115 29.095 -21.259 1.00 0.00 O ATOM 0 H SER A 77 72.375 29.259 -21.833 1.00 0.00 H new ATOM 0 HA SER A 77 71.452 31.778 -22.740 1.00 0.00 H new ATOM 0 HB2 SER A 77 69.227 30.834 -21.913 1.00 0.00 H new ATOM 0 HB3 SER A 77 70.063 29.914 -23.148 1.00 0.00 H new ATOM 0 HG SER A 77 69.302 28.571 -21.416 1.00 0.00 H new ATOM 867 N ASP A 78 71.583 31.444 -19.440 1.00 0.00 N ATOM 868 CA ASP A 78 71.653 32.277 -18.229 1.00 0.00 C ATOM 869 C ASP A 78 72.675 33.409 -18.403 1.00 0.00 C ATOM 870 O ASP A 78 72.349 34.569 -18.161 1.00 0.00 O ATOM 871 CB ASP A 78 72.065 31.484 -16.981 1.00 0.00 C ATOM 872 CG ASP A 78 71.102 30.406 -16.476 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.872 30.494 -16.704 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.612 29.524 -15.744 1.00 0.00 O ATOM 0 H ASP A 78 71.800 30.460 -19.285 1.00 0.00 H new ATOM 0 HA ASP A 78 70.646 32.669 -18.089 1.00 0.00 H new ATOM 0 HB2 ASP A 78 73.024 31.008 -17.187 1.00 0.00 H new ATOM 0 HB3 ASP A 78 72.229 32.194 -16.171 1.00 0.00 H new ATOM 879 N ALA A 79 73.896 33.105 -18.867 1.00 0.00 N ATOM 880 CA ALA A 79 74.944 34.103 -19.082 1.00 0.00 C ATOM 881 C ALA A 79 74.530 35.184 -20.104 1.00 0.00 C ATOM 882 O ALA A 79 74.738 36.370 -19.847 1.00 0.00 O ATOM 883 CB ALA A 79 76.242 33.365 -19.455 1.00 0.00 C ATOM 0 H ALA A 79 74.182 32.155 -19.103 1.00 0.00 H new ATOM 0 HA ALA A 79 75.115 34.663 -18.163 1.00 0.00 H new ATOM 0 HB1 ALA A 79 77.038 34.091 -19.620 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.525 32.694 -18.644 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.083 32.787 -20.365 1.00 0.00 H new ATOM 889 N ARG A 80 73.856 34.815 -21.205 1.00 0.00 N ATOM 890 CA ARG A 80 73.266 35.779 -22.168 1.00 0.00 C ATOM 891 C ARG A 80 72.195 36.679 -21.529 1.00 0.00 C ATOM 892 O ARG A 80 72.248 37.898 -21.692 1.00 0.00 O ATOM 893 CB ARG A 80 72.697 35.011 -23.383 1.00 0.00 C ATOM 894 CG ARG A 80 73.766 34.514 -24.376 1.00 0.00 C ATOM 895 CD ARG A 80 74.392 35.628 -25.231 1.00 0.00 C ATOM 896 NE ARG A 80 73.381 36.302 -26.085 1.00 0.00 N ATOM 897 CZ ARG A 80 73.112 36.074 -27.362 1.00 0.00 C ATOM 898 NH1 ARG A 80 73.703 35.140 -28.044 1.00 0.00 N ATOM 899 NH2 ARG A 80 72.241 36.810 -27.988 1.00 0.00 N ATOM 0 H ARG A 80 73.701 33.840 -21.459 1.00 0.00 H new ATOM 0 HA ARG A 80 74.061 36.447 -22.499 1.00 0.00 H new ATOM 0 HB2 ARG A 80 72.127 34.155 -23.022 1.00 0.00 H new ATOM 0 HB3 ARG A 80 71.999 35.659 -23.913 1.00 0.00 H new ATOM 0 HG2 ARG A 80 74.556 34.009 -23.820 1.00 0.00 H new ATOM 0 HG3 ARG A 80 73.317 33.772 -25.036 1.00 0.00 H new ATOM 0 HD2 ARG A 80 74.866 36.363 -24.580 1.00 0.00 H new ATOM 0 HD3 ARG A 80 75.176 35.206 -25.860 1.00 0.00 H new ATOM 0 HE ARG A 80 72.826 37.029 -25.633 1.00 0.00 H new ATOM 0 HH11 ARG A 80 74.404 34.549 -27.598 1.00 0.00 H new ATOM 0 HH12 ARG A 80 73.466 34.998 -29.026 1.00 0.00 H new ATOM 0 HH21 ARG A 80 71.763 37.565 -27.496 1.00 0.00 H new ATOM 0 HH22 ARG A 80 72.036 36.632 -28.971 1.00 0.00 H new ATOM 913 N VAL A 81 71.262 36.104 -20.763 1.00 0.00 N ATOM 914 CA VAL A 81 70.205 36.859 -20.050 1.00 0.00 C ATOM 915 C VAL A 81 70.809 37.824 -19.040 1.00 0.00 C ATOM 916 O VAL A 81 70.424 38.989 -19.006 1.00 0.00 O ATOM 917 CB VAL A 81 69.220 35.912 -19.335 1.00 0.00 C ATOM 918 CG1 VAL A 81 68.243 36.638 -18.399 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.376 35.169 -20.364 1.00 0.00 C ATOM 0 H VAL A 81 71.211 35.096 -20.614 1.00 0.00 H new ATOM 0 HA VAL A 81 69.657 37.428 -20.801 1.00 0.00 H new ATOM 0 HB VAL A 81 69.839 35.239 -18.741 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.580 35.911 -17.930 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.803 37.168 -17.629 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.651 37.351 -18.973 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.682 34.502 -19.852 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.815 35.887 -20.961 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.027 34.586 -21.015 1.00 0.00 H new ATOM 929 N LEU A 82 71.776 37.366 -18.245 1.00 0.00 N ATOM 930 CA LEU A 82 72.449 38.215 -17.256 1.00 0.00 C ATOM 931 C LEU A 82 73.214 39.369 -17.912 1.00 0.00 C ATOM 932 O LEU A 82 73.058 40.495 -17.451 1.00 0.00 O ATOM 933 CB LEU A 82 73.373 37.387 -16.350 1.00 0.00 C ATOM 934 CG LEU A 82 72.660 36.420 -15.386 1.00 0.00 C ATOM 935 CD1 LEU A 82 73.727 35.756 -14.523 1.00 0.00 C ATOM 936 CD2 LEU A 82 71.647 37.096 -14.462 1.00 0.00 C ATOM 0 H LEU A 82 72.114 36.404 -18.266 1.00 0.00 H new ATOM 0 HA LEU A 82 71.670 38.657 -16.634 1.00 0.00 H new ATOM 0 HB2 LEU A 82 74.051 36.811 -16.980 1.00 0.00 H new ATOM 0 HB3 LEU A 82 73.987 38.071 -15.764 1.00 0.00 H new ATOM 0 HG LEU A 82 72.101 35.710 -15.995 1.00 0.00 H new ATOM 0 HD11 LEU A 82 73.253 35.063 -13.828 1.00 0.00 H new ATOM 0 HD12 LEU A 82 74.423 35.211 -15.160 1.00 0.00 H new ATOM 0 HD13 LEU A 82 74.269 36.518 -13.963 1.00 0.00 H new ATOM 0 HD21 LEU A 82 71.189 36.348 -13.815 1.00 0.00 H new ATOM 0 HD22 LEU A 82 72.154 37.843 -13.851 1.00 0.00 H new ATOM 0 HD23 LEU A 82 70.875 37.580 -15.060 1.00 0.00 H new ATOM 948 N ILE A 83 73.953 39.136 -19.009 1.00 0.00 N ATOM 949 CA ILE A 83 74.577 40.223 -19.796 1.00 0.00 C ATOM 950 C ILE A 83 73.520 41.253 -20.203 1.00 0.00 C ATOM 951 O ILE A 83 73.685 42.442 -19.928 1.00 0.00 O ATOM 952 CB ILE A 83 75.331 39.663 -21.029 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.640 38.990 -20.557 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.633 40.756 -22.082 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.283 38.080 -21.611 1.00 0.00 C ATOM 0 H ILE A 83 74.136 38.202 -19.376 1.00 0.00 H new ATOM 0 HA ILE A 83 75.316 40.723 -19.170 1.00 0.00 H new ATOM 0 HB ILE A 83 74.687 38.931 -21.516 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.354 39.764 -20.274 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.434 38.404 -19.661 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.162 40.312 -22.925 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.698 41.194 -22.430 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.252 41.532 -21.633 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.197 37.644 -21.207 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.588 37.284 -21.877 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.522 38.665 -22.499 1.00 0.00 H new ATOM 967 N PHE A 84 72.422 40.804 -20.824 1.00 0.00 N ATOM 968 CA PHE A 84 71.378 41.707 -21.304 1.00 0.00 C ATOM 969 C PHE A 84 70.685 42.484 -20.178 1.00 0.00 C ATOM 970 O PHE A 84 70.550 43.697 -20.288 1.00 0.00 O ATOM 971 CB PHE A 84 70.357 40.922 -22.136 1.00 0.00 C ATOM 972 CG PHE A 84 69.440 41.797 -22.974 1.00 0.00 C ATOM 973 CD1 PHE A 84 69.991 42.723 -23.883 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.041 41.659 -22.892 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.163 43.451 -24.747 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.207 42.422 -23.729 1.00 0.00 C ATOM 977 CZ PHE A 84 67.766 43.311 -24.667 1.00 0.00 C ATOM 0 H PHE A 84 72.237 39.817 -21.004 1.00 0.00 H new ATOM 0 HA PHE A 84 71.863 42.456 -21.929 1.00 0.00 H new ATOM 0 HB2 PHE A 84 70.890 40.237 -22.795 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.749 40.313 -21.467 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.060 42.872 -23.913 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.608 40.966 -22.186 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.598 44.120 -25.475 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.134 42.326 -23.652 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.125 43.883 -25.322 1.00 0.00 H new ATOM 987 N ASN A 85 70.283 41.825 -19.087 1.00 0.00 N ATOM 988 CA ASN A 85 69.558 42.457 -17.981 1.00 0.00 C ATOM 989 C ASN A 85 70.451 43.424 -17.174 1.00 0.00 C ATOM 990 O ASN A 85 70.050 44.557 -16.893 1.00 0.00 O ATOM 991 CB ASN A 85 68.963 41.348 -17.093 1.00 0.00 C ATOM 992 CG ASN A 85 68.021 41.889 -16.025 1.00 0.00 C ATOM 993 OD1 ASN A 85 67.308 42.865 -16.211 1.00 0.00 O ATOM 994 ND2 ASN A 85 67.958 41.250 -14.877 1.00 0.00 N ATOM 0 H ASN A 85 70.453 40.829 -18.946 1.00 0.00 H new ATOM 0 HA ASN A 85 68.754 43.072 -18.385 1.00 0.00 H new ATOM 0 HB2 ASN A 85 68.425 40.637 -17.719 1.00 0.00 H new ATOM 0 HB3 ASN A 85 69.773 40.800 -16.612 1.00 0.00 H new ATOM 0 HD21 ASN A 85 67.318 41.569 -14.150 1.00 0.00 H new ATOM 0 HD22 ASN A 85 68.549 40.435 -14.714 1.00 0.00 H new ATOM 1001 N GLU A 86 71.684 42.998 -16.855 1.00 0.00 N ATOM 1002 CA GLU A 86 72.706 43.843 -16.225 1.00 0.00 C ATOM 1003 C GLU A 86 72.921 45.111 -17.055 1.00 0.00 C ATOM 1004 O GLU A 86 72.763 46.219 -16.539 1.00 0.00 O ATOM 1005 CB GLU A 86 74.026 43.059 -16.104 1.00 0.00 C ATOM 1006 CG GLU A 86 75.174 43.832 -15.441 1.00 0.00 C ATOM 1007 CD GLU A 86 76.526 43.185 -15.801 1.00 0.00 C ATOM 1008 OE1 GLU A 86 76.871 42.104 -15.269 1.00 0.00 O ATOM 1009 OE2 GLU A 86 77.261 43.734 -16.655 1.00 0.00 O ATOM 0 H GLU A 86 72.001 42.045 -17.031 1.00 0.00 H new ATOM 0 HA GLU A 86 72.370 44.129 -15.228 1.00 0.00 H new ATOM 0 HB2 GLU A 86 73.841 42.149 -15.532 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.342 42.751 -17.101 1.00 0.00 H new ATOM 0 HG2 GLU A 86 75.160 44.871 -15.770 1.00 0.00 H new ATOM 0 HG3 GLU A 86 75.042 43.838 -14.359 1.00 0.00 H new ATOM 1016 N TRP A 87 73.226 44.956 -18.349 1.00 0.00 N ATOM 1017 CA TRP A 87 73.426 46.090 -19.235 1.00 0.00 C ATOM 1018 C TRP A 87 72.168 46.946 -19.380 1.00 0.00 C ATOM 1019 O TRP A 87 72.293 48.157 -19.306 1.00 0.00 O ATOM 1020 CB TRP A 87 73.898 45.595 -20.592 1.00 0.00 C ATOM 1021 CG TRP A 87 73.927 46.642 -21.654 1.00 0.00 C ATOM 1022 CD1 TRP A 87 74.867 47.596 -21.834 1.00 0.00 C ATOM 1023 CD2 TRP A 87 72.962 46.813 -22.727 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.574 48.304 -22.988 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.407 47.867 -23.574 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.797 46.122 -23.110 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 72.772 48.174 -24.785 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.140 46.445 -24.306 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.619 47.462 -25.150 1.00 0.00 C ATOM 0 H TRP A 87 73.338 44.048 -18.800 1.00 0.00 H new ATOM 0 HA TRP A 87 74.188 46.731 -18.792 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.899 45.176 -20.484 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.246 44.784 -20.916 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.710 47.777 -21.184 1.00 0.00 H new ATOM 0 HE1 TRP A 87 75.153 49.058 -23.359 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.407 45.338 -22.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.164 48.948 -25.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.249 45.902 -24.584 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.104 47.693 -26.071 1.00 0.00 H new ATOM 1040 N GLU A 88 70.971 46.378 -19.528 1.00 0.00 N ATOM 1041 CA GLU A 88 69.724 47.144 -19.638 1.00 0.00 C ATOM 1042 C GLU A 88 69.488 48.063 -18.426 1.00 0.00 C ATOM 1043 O GLU A 88 69.197 49.247 -18.614 1.00 0.00 O ATOM 1044 CB GLU A 88 68.528 46.195 -19.820 1.00 0.00 C ATOM 1045 CG GLU A 88 68.276 45.788 -21.278 1.00 0.00 C ATOM 1046 CD GLU A 88 67.460 46.868 -22.021 1.00 0.00 C ATOM 1047 OE1 GLU A 88 68.040 47.883 -22.481 1.00 0.00 O ATOM 1048 OE2 GLU A 88 66.218 46.719 -22.138 1.00 0.00 O ATOM 0 H GLU A 88 70.836 45.368 -19.575 1.00 0.00 H new ATOM 0 HA GLU A 88 69.820 47.783 -20.516 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.695 45.297 -19.226 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.632 46.675 -19.427 1.00 0.00 H new ATOM 0 HG2 GLU A 88 69.228 45.633 -21.786 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.741 44.839 -21.307 1.00 0.00 H new ATOM 1055 N GLU A 89 69.656 47.575 -17.189 1.00 0.00 N ATOM 1056 CA GLU A 89 69.521 48.426 -15.993 1.00 0.00 C ATOM 1057 C GLU A 89 70.631 49.493 -15.914 1.00 0.00 C ATOM 1058 O GLU A 89 70.354 50.695 -15.769 1.00 0.00 O ATOM 1059 CB GLU A 89 69.511 47.571 -14.716 1.00 0.00 C ATOM 1060 CG GLU A 89 68.261 46.689 -14.611 1.00 0.00 C ATOM 1061 CD GLU A 89 68.200 45.981 -13.242 1.00 0.00 C ATOM 1062 OE1 GLU A 89 68.937 44.990 -13.020 1.00 0.00 O ATOM 1063 OE2 GLU A 89 67.407 46.415 -12.370 1.00 0.00 O ATOM 0 H GLU A 89 69.884 46.601 -16.988 1.00 0.00 H new ATOM 0 HA GLU A 89 68.568 48.949 -16.077 1.00 0.00 H new ATOM 0 HB2 GLU A 89 70.400 46.940 -14.698 1.00 0.00 H new ATOM 0 HB3 GLU A 89 69.566 48.224 -13.845 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.368 47.299 -14.750 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.267 45.946 -15.409 1.00 0.00 H new ATOM 1070 N ARG A 90 71.892 49.061 -16.082 1.00 0.00 N ATOM 1071 CA ARG A 90 73.064 49.953 -16.090 1.00 0.00 C ATOM 1072 C ARG A 90 72.868 51.062 -17.111 1.00 0.00 C ATOM 1073 O ARG A 90 72.906 52.225 -16.758 1.00 0.00 O ATOM 1074 CB ARG A 90 74.350 49.172 -16.416 1.00 0.00 C ATOM 1075 CG ARG A 90 74.747 48.154 -15.340 1.00 0.00 C ATOM 1076 CD ARG A 90 75.800 48.658 -14.342 1.00 0.00 C ATOM 1077 NE ARG A 90 75.422 49.933 -13.707 1.00 0.00 N ATOM 1078 CZ ARG A 90 74.644 50.156 -12.669 1.00 0.00 C ATOM 1079 NH1 ARG A 90 74.034 49.210 -12.011 1.00 0.00 N ATOM 1080 NH2 ARG A 90 74.479 51.388 -12.301 1.00 0.00 N ATOM 0 H ARG A 90 72.128 48.078 -16.217 1.00 0.00 H new ATOM 0 HA ARG A 90 73.165 50.387 -15.095 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.217 48.651 -17.364 1.00 0.00 H new ATOM 0 HB3 ARG A 90 75.168 49.879 -16.553 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.854 47.861 -14.789 1.00 0.00 H new ATOM 0 HG3 ARG A 90 75.128 47.258 -15.829 1.00 0.00 H new ATOM 0 HD2 ARG A 90 75.952 47.904 -13.570 1.00 0.00 H new ATOM 0 HD3 ARG A 90 76.752 48.783 -14.858 1.00 0.00 H new ATOM 0 HE ARG A 90 75.823 50.767 -14.136 1.00 0.00 H new ATOM 0 HH11 ARG A 90 74.148 48.237 -12.294 1.00 0.00 H new ATOM 0 HH12 ARG A 90 73.443 49.443 -11.213 1.00 0.00 H new ATOM 0 HH21 ARG A 90 74.944 52.139 -12.811 1.00 0.00 H new ATOM 0 HH22 ARG A 90 73.884 51.606 -11.502 1.00 0.00 H new ATOM 1094 N LYS A 91 72.576 50.702 -18.356 1.00 0.00 N ATOM 1095 CA LYS A 91 72.369 51.610 -19.495 1.00 0.00 C ATOM 1096 C LYS A 91 71.154 52.529 -19.327 1.00 0.00 C ATOM 1097 O LYS A 91 71.235 53.689 -19.730 1.00 0.00 O ATOM 1098 CB LYS A 91 72.228 50.757 -20.776 1.00 0.00 C ATOM 1099 CG LYS A 91 72.066 51.474 -22.128 1.00 0.00 C ATOM 1100 CD LYS A 91 73.386 52.000 -22.707 1.00 0.00 C ATOM 1101 CE LYS A 91 73.213 52.362 -24.191 1.00 0.00 C ATOM 1102 NZ LYS A 91 74.507 52.748 -24.826 1.00 0.00 N ATOM 0 H LYS A 91 72.470 49.722 -18.619 1.00 0.00 H new ATOM 0 HA LYS A 91 73.233 52.272 -19.559 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.107 50.117 -20.845 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.367 50.102 -20.644 1.00 0.00 H new ATOM 0 HG2 LYS A 91 71.614 50.786 -22.843 1.00 0.00 H new ATOM 0 HG3 LYS A 91 71.374 52.308 -22.007 1.00 0.00 H new ATOM 0 HD2 LYS A 91 73.712 52.877 -22.148 1.00 0.00 H new ATOM 0 HD3 LYS A 91 74.165 51.245 -22.599 1.00 0.00 H new ATOM 0 HE2 LYS A 91 72.787 51.512 -24.724 1.00 0.00 H new ATOM 0 HE3 LYS A 91 72.504 53.185 -24.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 74.403 52.737 -25.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 74.775 53.704 -24.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 75.246 52.073 -24.546 1.00 0.00 H new ATOM 1116 N LYS A 92 70.068 52.072 -18.684 1.00 0.00 N ATOM 1117 CA LYS A 92 68.954 52.949 -18.281 1.00 0.00 C ATOM 1118 C LYS A 92 69.437 54.054 -17.328 1.00 0.00 C ATOM 1119 O LYS A 92 69.011 55.202 -17.473 1.00 0.00 O ATOM 1120 CB LYS A 92 67.813 52.108 -17.681 1.00 0.00 C ATOM 1121 CG LYS A 92 66.554 52.955 -17.440 1.00 0.00 C ATOM 1122 CD LYS A 92 65.339 52.134 -16.979 1.00 0.00 C ATOM 1123 CE LYS A 92 65.533 51.532 -15.578 1.00 0.00 C ATOM 1124 NZ LYS A 92 64.301 50.835 -15.107 1.00 0.00 N ATOM 0 H LYS A 92 69.936 51.093 -18.430 1.00 0.00 H new ATOM 0 HA LYS A 92 68.560 53.455 -19.163 1.00 0.00 H new ATOM 0 HB2 LYS A 92 67.575 51.284 -18.354 1.00 0.00 H new ATOM 0 HB3 LYS A 92 68.141 51.667 -16.740 1.00 0.00 H new ATOM 0 HG2 LYS A 92 66.775 53.714 -16.690 1.00 0.00 H new ATOM 0 HG3 LYS A 92 66.299 53.481 -18.360 1.00 0.00 H new ATOM 0 HD2 LYS A 92 64.454 52.770 -16.978 1.00 0.00 H new ATOM 0 HD3 LYS A 92 65.154 51.332 -17.693 1.00 0.00 H new ATOM 0 HE2 LYS A 92 66.366 50.829 -15.595 1.00 0.00 H new ATOM 0 HE3 LYS A 92 65.797 52.322 -14.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 64.466 50.441 -14.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 63.513 51.512 -15.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 64.064 50.066 -15.766 1.00 0.00 H new ATOM 1138 N SER A 93 70.379 53.744 -16.428 1.00 0.00 N ATOM 1139 CA SER A 93 71.079 54.775 -15.629 1.00 0.00 C ATOM 1140 C SER A 93 72.258 55.484 -16.344 1.00 0.00 C ATOM 1141 O SER A 93 72.633 56.589 -15.944 1.00 0.00 O ATOM 1142 CB SER A 93 71.564 54.167 -14.306 1.00 0.00 C ATOM 1143 OG SER A 93 70.452 53.762 -13.516 1.00 0.00 O ATOM 0 H SER A 93 70.679 52.789 -16.230 1.00 0.00 H new ATOM 0 HA SER A 93 70.338 55.556 -15.458 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.209 53.311 -14.505 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.162 54.896 -13.759 1.00 0.00 H new ATOM 0 HG SER A 93 70.772 53.374 -12.675 1.00 0.00 H new ATOM 1149 N GLU A 94 72.856 54.881 -17.379 1.00 0.00 N ATOM 1150 CA GLU A 94 74.196 55.201 -17.912 1.00 0.00 C ATOM 1151 C GLU A 94 74.256 55.074 -19.451 1.00 0.00 C ATOM 1152 O GLU A 94 74.675 54.033 -19.969 1.00 0.00 O ATOM 1153 CB GLU A 94 75.257 54.260 -17.290 1.00 0.00 C ATOM 1154 CG GLU A 94 75.251 54.273 -15.762 1.00 0.00 C ATOM 1155 CD GLU A 94 76.379 53.432 -15.131 1.00 0.00 C ATOM 1156 OE1 GLU A 94 77.574 53.622 -15.466 1.00 0.00 O ATOM 1157 OE2 GLU A 94 76.067 52.599 -14.243 1.00 0.00 O ATOM 0 H GLU A 94 72.405 54.124 -17.893 1.00 0.00 H new ATOM 0 HA GLU A 94 74.405 56.237 -17.645 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.080 53.243 -17.639 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.245 54.552 -17.646 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.340 55.303 -15.416 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.290 53.900 -15.408 1.00 0.00 H new ATOM 1164 N PRO A 95 73.874 56.103 -20.232 1.00 0.00 N ATOM 1165 CA PRO A 95 73.762 56.000 -21.696 1.00 0.00 C ATOM 1166 C PRO A 95 75.070 55.640 -22.434 1.00 0.00 C ATOM 1167 O PRO A 95 75.026 55.241 -23.598 1.00 0.00 O ATOM 1168 CB PRO A 95 73.178 57.345 -22.153 1.00 0.00 C ATOM 1169 CG PRO A 95 73.501 58.307 -21.011 1.00 0.00 C ATOM 1170 CD PRO A 95 73.418 57.408 -19.781 1.00 0.00 C ATOM 0 HA PRO A 95 73.120 55.158 -21.955 1.00 0.00 H new ATOM 0 HB2 PRO A 95 73.627 57.675 -23.090 1.00 0.00 H new ATOM 0 HB3 PRO A 95 72.103 57.275 -22.322 1.00 0.00 H new ATOM 0 HG2 PRO A 95 74.491 58.750 -21.123 1.00 0.00 H new ATOM 0 HG3 PRO A 95 72.787 59.129 -20.960 1.00 0.00 H new ATOM 0 HD2 PRO A 95 74.044 57.787 -18.973 1.00 0.00 H new ATOM 0 HD3 PRO A 95 72.399 57.358 -19.397 1.00 0.00 H new ATOM 1178 N TRP A 96 76.227 55.701 -21.767 1.00 0.00 N ATOM 1179 CA TRP A 96 77.545 55.326 -22.300 1.00 0.00 C ATOM 1180 C TRP A 96 77.871 53.814 -22.268 1.00 0.00 C ATOM 1181 O TRP A 96 78.883 53.413 -22.846 1.00 0.00 O ATOM 1182 CB TRP A 96 78.610 56.149 -21.557 1.00 0.00 C ATOM 1183 CG TRP A 96 78.564 56.068 -20.059 1.00 0.00 C ATOM 1184 CD1 TRP A 96 79.158 55.119 -19.298 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.871 56.952 -19.123 1.00 0.00 C ATOM 1186 NE1 TRP A 96 78.883 55.355 -17.964 1.00 0.00 N ATOM 1187 CE2 TRP A 96 78.092 56.472 -17.797 1.00 0.00 C ATOM 1188 CE3 TRP A 96 77.063 58.103 -19.260 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.533 57.091 -16.669 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 76.498 58.735 -18.134 1.00 0.00 C ATOM 1191 CH2 TRP A 96 76.727 58.230 -16.841 1.00 0.00 C ATOM 0 H TRP A 96 76.275 56.026 -20.801 1.00 0.00 H new ATOM 0 HA TRP A 96 77.536 55.556 -23.365 1.00 0.00 H new ATOM 0 HB2 TRP A 96 79.595 55.821 -21.891 1.00 0.00 H new ATOM 0 HB3 TRP A 96 78.506 57.194 -21.850 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.755 54.302 -19.675 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.223 54.774 -17.198 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.875 58.505 -20.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 77.720 56.697 -15.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 75.884 59.614 -18.265 1.00 0.00 H new ATOM 0 HH2 TRP A 96 76.285 58.716 -15.983 1.00 0.00 H new ATOM 1202 N LEU A 97 77.053 52.954 -21.632 1.00 0.00 N ATOM 1203 CA LEU A 97 77.336 51.513 -21.508 1.00 0.00 C ATOM 1204 C LEU A 97 77.399 50.779 -22.868 1.00 0.00 C ATOM 1205 O LEU A 97 76.518 50.961 -23.715 1.00 0.00 O ATOM 1206 CB LEU A 97 76.266 50.861 -20.602 1.00 0.00 C ATOM 1207 CG LEU A 97 76.757 49.941 -19.474 1.00 0.00 C ATOM 1208 CD1 LEU A 97 77.901 48.987 -19.823 1.00 0.00 C ATOM 1209 CD2 LEU A 97 77.219 50.744 -18.277 1.00 0.00 C ATOM 0 H LEU A 97 76.179 53.239 -21.191 1.00 0.00 H new ATOM 0 HA LEU A 97 78.327 51.417 -21.064 1.00 0.00 H new ATOM 0 HB2 LEU A 97 75.675 51.659 -20.152 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.593 50.285 -21.237 1.00 0.00 H new ATOM 0 HG LEU A 97 75.876 49.333 -19.268 1.00 0.00 H new ATOM 0 HD11 LEU A 97 78.158 48.391 -18.947 1.00 0.00 H new ATOM 0 HD12 LEU A 97 77.590 48.327 -20.632 1.00 0.00 H new ATOM 0 HD13 LEU A 97 78.771 49.563 -20.139 1.00 0.00 H new ATOM 0 HD21 LEU A 97 77.561 50.067 -17.494 1.00 0.00 H new ATOM 0 HD22 LEU A 97 78.038 51.400 -18.573 1.00 0.00 H new ATOM 0 HD23 LEU A 97 76.391 51.345 -17.901 1.00 0.00 H new ATOM 1221 N ARG A 98 78.377 49.880 -23.038 1.00 0.00 N ATOM 1222 CA ARG A 98 78.553 48.998 -24.216 1.00 0.00 C ATOM 1223 C ARG A 98 78.030 47.572 -23.961 1.00 0.00 C ATOM 1224 O ARG A 98 78.005 47.111 -22.822 1.00 0.00 O ATOM 1225 CB ARG A 98 80.040 48.973 -24.620 1.00 0.00 C ATOM 1226 CG ARG A 98 80.555 50.346 -25.090 1.00 0.00 C ATOM 1227 CD ARG A 98 82.062 50.326 -25.382 1.00 0.00 C ATOM 1228 NE ARG A 98 82.401 49.451 -26.525 1.00 0.00 N ATOM 1229 CZ ARG A 98 83.593 48.957 -26.818 1.00 0.00 C ATOM 1230 NH1 ARG A 98 84.647 49.209 -26.093 1.00 0.00 N ATOM 1231 NH2 ARG A 98 83.751 48.191 -27.859 1.00 0.00 N ATOM 0 H ARG A 98 79.101 49.736 -22.334 1.00 0.00 H new ATOM 0 HA ARG A 98 77.959 49.405 -25.035 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.636 48.638 -23.772 1.00 0.00 H new ATOM 0 HB3 ARG A 98 80.183 48.244 -25.418 1.00 0.00 H new ATOM 0 HG2 ARG A 98 80.016 50.647 -25.988 1.00 0.00 H new ATOM 0 HG3 ARG A 98 80.344 51.094 -24.325 1.00 0.00 H new ATOM 0 HD2 ARG A 98 82.403 51.340 -25.590 1.00 0.00 H new ATOM 0 HD3 ARG A 98 82.597 49.986 -24.496 1.00 0.00 H new ATOM 0 HE ARG A 98 81.636 49.202 -27.153 1.00 0.00 H new ATOM 0 HH11 ARG A 98 84.569 49.805 -25.269 1.00 0.00 H new ATOM 0 HH12 ARG A 98 85.550 48.810 -26.350 1.00 0.00 H new ATOM 0 HH21 ARG A 98 82.953 47.968 -28.454 1.00 0.00 H new ATOM 0 HH22 ARG A 98 84.673 47.813 -28.079 1.00 0.00 H new ATOM 1245 N LEU A 99 77.630 46.876 -25.026 1.00 0.00 N ATOM 1246 CA LEU A 99 76.990 45.550 -24.997 1.00 0.00 C ATOM 1247 C LEU A 99 77.729 44.587 -25.944 1.00 0.00 C ATOM 1248 O LEU A 99 77.973 44.925 -27.104 1.00 0.00 O ATOM 1249 CB LEU A 99 75.514 45.766 -25.385 1.00 0.00 C ATOM 1250 CG LEU A 99 74.490 44.615 -25.289 1.00 0.00 C ATOM 1251 CD1 LEU A 99 74.630 43.689 -26.500 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.531 43.851 -23.965 1.00 0.00 C ATOM 0 H LEU A 99 77.746 47.232 -25.975 1.00 0.00 H new ATOM 0 HA LEU A 99 77.038 45.088 -24.011 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.137 46.581 -24.767 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.503 46.118 -26.417 1.00 0.00 H new ATOM 0 HG LEU A 99 73.499 45.070 -25.305 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.904 42.879 -26.425 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.449 44.255 -27.414 1.00 0.00 H new ATOM 0 HD13 LEU A 99 75.637 43.272 -26.525 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.782 43.060 -23.978 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.519 43.412 -23.828 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.321 44.536 -23.143 1.00 0.00 H new ATOM 1264 N ASP A 100 78.070 43.386 -25.464 1.00 0.00 N ATOM 1265 CA ASP A 100 78.714 42.328 -26.260 1.00 0.00 C ATOM 1266 C ASP A 100 78.173 40.940 -25.875 1.00 0.00 C ATOM 1267 O ASP A 100 78.081 40.613 -24.692 1.00 0.00 O ATOM 1268 CB ASP A 100 80.241 42.410 -26.086 1.00 0.00 C ATOM 1269 CG ASP A 100 81.017 41.416 -26.975 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.477 40.956 -28.009 1.00 0.00 O ATOM 1271 OD2 ASP A 100 82.191 41.120 -26.649 1.00 0.00 O ATOM 0 H ASP A 100 77.905 43.114 -24.495 1.00 0.00 H new ATOM 0 HA ASP A 100 78.477 42.480 -27.313 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.571 43.423 -26.315 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.490 42.222 -25.042 1.00 0.00 H new ATOM 1276 N MET A 101 77.789 40.136 -26.874 1.00 0.00 N ATOM 1277 CA MET A 101 77.091 38.849 -26.702 1.00 0.00 C ATOM 1278 C MET A 101 77.736 37.662 -27.442 1.00 0.00 C ATOM 1279 O MET A 101 77.234 36.541 -27.343 1.00 0.00 O ATOM 1280 CB MET A 101 75.625 39.019 -27.128 1.00 0.00 C ATOM 1281 CG MET A 101 74.824 39.846 -26.121 1.00 0.00 C ATOM 1282 SD MET A 101 73.083 39.987 -26.584 1.00 0.00 S ATOM 1283 CE MET A 101 72.453 40.916 -25.167 1.00 0.00 C ATOM 0 H MET A 101 77.958 40.366 -27.853 1.00 0.00 H new ATOM 0 HA MET A 101 77.166 38.592 -25.646 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.586 39.501 -28.105 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.164 38.037 -27.238 1.00 0.00 H new ATOM 0 HG2 MET A 101 74.900 39.388 -25.135 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.259 40.842 -26.044 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.518 40.471 -24.827 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.184 40.887 -24.359 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.277 41.951 -25.460 1.00 0.00 H new ATOM 1293 N SER A 102 78.838 37.878 -28.167 1.00 0.00 N ATOM 1294 CA SER A 102 79.617 36.791 -28.780 1.00 0.00 C ATOM 1295 C SER A 102 80.254 35.912 -27.698 1.00 0.00 C ATOM 1296 O SER A 102 80.557 36.390 -26.606 1.00 0.00 O ATOM 1297 CB SER A 102 80.678 37.362 -29.726 1.00 0.00 C ATOM 1298 OG SER A 102 80.042 38.089 -30.770 1.00 0.00 O ATOM 0 H SER A 102 79.217 38.808 -28.347 1.00 0.00 H new ATOM 0 HA SER A 102 78.944 36.166 -29.367 1.00 0.00 H new ATOM 0 HB2 SER A 102 81.357 38.014 -29.176 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.279 36.555 -30.145 1.00 0.00 H new ATOM 0 HG SER A 102 80.721 38.456 -31.374 1.00 0.00 H new ATOM 1304 N ASP A 103 80.475 34.622 -27.974 1.00 0.00 N ATOM 1305 CA ASP A 103 80.786 33.628 -26.927 1.00 0.00 C ATOM 1306 C ASP A 103 82.057 33.928 -26.115 1.00 0.00 C ATOM 1307 O ASP A 103 82.126 33.564 -24.942 1.00 0.00 O ATOM 1308 CB ASP A 103 80.862 32.229 -27.542 1.00 0.00 C ATOM 1309 CG ASP A 103 79.481 31.724 -27.977 1.00 0.00 C ATOM 1310 OD1 ASP A 103 78.638 31.401 -27.108 1.00 0.00 O ATOM 1311 OD2 ASP A 103 79.230 31.581 -29.195 1.00 0.00 O ATOM 0 H ASP A 103 80.445 34.235 -28.917 1.00 0.00 H new ATOM 0 HA ASP A 103 79.967 33.685 -26.210 1.00 0.00 H new ATOM 0 HB2 ASP A 103 81.531 32.246 -28.403 1.00 0.00 H new ATOM 0 HB3 ASP A 103 81.291 31.536 -26.818 1.00 0.00 H new ATOM 1316 N LYS A 104 83.013 34.689 -26.671 1.00 0.00 N ATOM 1317 CA LYS A 104 84.191 35.192 -25.935 1.00 0.00 C ATOM 1318 C LYS A 104 83.802 35.990 -24.683 1.00 0.00 C ATOM 1319 O LYS A 104 84.442 35.828 -23.649 1.00 0.00 O ATOM 1320 CB LYS A 104 85.091 36.034 -26.863 1.00 0.00 C ATOM 1321 CG LYS A 104 86.078 35.215 -27.717 1.00 0.00 C ATOM 1322 CD LYS A 104 85.422 34.302 -28.769 1.00 0.00 C ATOM 1323 CE LYS A 104 86.456 33.569 -29.643 1.00 0.00 C ATOM 1324 NZ LYS A 104 87.165 34.475 -30.592 1.00 0.00 N ATOM 0 H LYS A 104 82.993 34.976 -27.650 1.00 0.00 H new ATOM 0 HA LYS A 104 84.752 34.322 -25.594 1.00 0.00 H new ATOM 0 HB2 LYS A 104 84.457 36.621 -27.527 1.00 0.00 H new ATOM 0 HB3 LYS A 104 85.656 36.741 -26.255 1.00 0.00 H new ATOM 0 HG2 LYS A 104 86.754 35.903 -28.225 1.00 0.00 H new ATOM 0 HG3 LYS A 104 86.687 34.601 -27.054 1.00 0.00 H new ATOM 0 HD2 LYS A 104 84.792 33.569 -28.266 1.00 0.00 H new ATOM 0 HD3 LYS A 104 84.770 34.899 -29.407 1.00 0.00 H new ATOM 0 HE2 LYS A 104 87.188 33.082 -28.999 1.00 0.00 H new ATOM 0 HE3 LYS A 104 85.954 32.782 -30.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 87.847 33.925 -31.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 86.474 34.921 -31.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 87.669 35.211 -30.058 1.00 0.00 H new ATOM 1338 N ALA A 105 82.717 36.770 -24.726 1.00 0.00 N ATOM 1339 CA ALA A 105 82.181 37.480 -23.558 1.00 0.00 C ATOM 1340 C ALA A 105 81.744 36.514 -22.444 1.00 0.00 C ATOM 1341 O ALA A 105 82.011 36.752 -21.266 1.00 0.00 O ATOM 1342 CB ALA A 105 81.031 38.391 -24.010 1.00 0.00 C ATOM 0 H ALA A 105 82.181 36.928 -25.579 1.00 0.00 H new ATOM 0 HA ALA A 105 82.972 38.093 -23.125 1.00 0.00 H new ATOM 0 HB1 ALA A 105 80.627 38.922 -23.148 1.00 0.00 H new ATOM 0 HB2 ALA A 105 81.402 39.111 -24.739 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.246 37.787 -24.465 1.00 0.00 H new ATOM 1348 N ILE A 106 81.136 35.385 -22.822 1.00 0.00 N ATOM 1349 CA ILE A 106 80.642 34.362 -21.896 1.00 0.00 C ATOM 1350 C ILE A 106 81.834 33.600 -21.310 1.00 0.00 C ATOM 1351 O ILE A 106 81.930 33.489 -20.094 1.00 0.00 O ATOM 1352 CB ILE A 106 79.600 33.448 -22.589 1.00 0.00 C ATOM 1353 CG1 ILE A 106 78.255 34.166 -22.859 1.00 0.00 C ATOM 1354 CG2 ILE A 106 79.282 32.200 -21.740 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.303 35.402 -23.771 1.00 0.00 C ATOM 0 H ILE A 106 80.970 35.152 -23.801 1.00 0.00 H new ATOM 0 HA ILE A 106 80.113 34.827 -21.064 1.00 0.00 H new ATOM 0 HB ILE A 106 80.063 33.167 -23.535 1.00 0.00 H new ATOM 0 HG12 ILE A 106 77.567 33.445 -23.300 1.00 0.00 H new ATOM 0 HG13 ILE A 106 77.831 34.467 -21.901 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.548 31.584 -22.259 1.00 0.00 H new ATOM 0 HG22 ILE A 106 80.194 31.624 -21.584 1.00 0.00 H new ATOM 0 HG23 ILE A 106 78.879 32.509 -20.775 1.00 0.00 H new ATOM 0 HD11 ILE A 106 77.299 35.812 -23.881 1.00 0.00 H new ATOM 0 HD12 ILE A 106 78.956 36.155 -23.330 1.00 0.00 H new ATOM 0 HD13 ILE A 106 78.688 35.117 -24.750 1.00 0.00 H new ATOM 1367 N PHE A 107 82.789 33.168 -22.139 1.00 0.00 N ATOM 1368 CA PHE A 107 84.012 32.496 -21.675 1.00 0.00 C ATOM 1369 C PHE A 107 84.808 33.356 -20.676 1.00 0.00 C ATOM 1370 O PHE A 107 85.271 32.856 -19.649 1.00 0.00 O ATOM 1371 CB PHE A 107 84.935 32.177 -22.862 1.00 0.00 C ATOM 1372 CG PHE A 107 84.370 31.408 -24.043 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.284 30.517 -23.912 1.00 0.00 C ATOM 1374 CD2 PHE A 107 84.982 31.580 -25.299 1.00 0.00 C ATOM 1375 CE1 PHE A 107 82.815 29.811 -25.034 1.00 0.00 C ATOM 1376 CE2 PHE A 107 84.520 30.863 -26.418 1.00 0.00 C ATOM 1377 CZ PHE A 107 83.439 29.974 -26.283 1.00 0.00 C ATOM 0 H PHE A 107 82.738 33.273 -23.152 1.00 0.00 H new ATOM 0 HA PHE A 107 83.689 31.581 -21.178 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.325 33.122 -23.240 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.784 31.613 -22.477 1.00 0.00 H new ATOM 0 HD1 PHE A 107 82.813 30.377 -22.950 1.00 0.00 H new ATOM 0 HD2 PHE A 107 85.810 32.265 -25.404 1.00 0.00 H new ATOM 0 HE1 PHE A 107 81.973 29.142 -24.936 1.00 0.00 H new ATOM 0 HE2 PHE A 107 84.995 30.995 -27.379 1.00 0.00 H new ATOM 0 HZ PHE A 107 83.088 29.416 -27.139 1.00 0.00 H new ATOM 1387 N ARG A 108 84.965 34.654 -20.976 1.00 0.00 N ATOM 1388 CA ARG A 108 85.807 35.589 -20.221 1.00 0.00 C ATOM 1389 C ARG A 108 85.145 36.059 -18.919 1.00 0.00 C ATOM 1390 O ARG A 108 85.826 36.130 -17.895 1.00 0.00 O ATOM 1391 CB ARG A 108 86.209 36.705 -21.203 1.00 0.00 C ATOM 1392 CG ARG A 108 87.452 37.512 -20.810 1.00 0.00 C ATOM 1393 CD ARG A 108 87.208 38.629 -19.787 1.00 0.00 C ATOM 1394 NE ARG A 108 88.443 39.402 -19.550 1.00 0.00 N ATOM 1395 CZ ARG A 108 88.598 40.419 -18.719 1.00 0.00 C ATOM 1396 NH1 ARG A 108 87.618 40.876 -17.989 1.00 0.00 N ATOM 1397 NH2 ARG A 108 89.756 41.004 -18.604 1.00 0.00 N ATOM 0 H ARG A 108 84.498 35.092 -21.770 1.00 0.00 H new ATOM 0 HA ARG A 108 86.713 35.109 -19.851 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.381 36.259 -22.182 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.369 37.392 -21.309 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.197 36.827 -20.406 1.00 0.00 H new ATOM 0 HG3 ARG A 108 87.879 37.953 -21.711 1.00 0.00 H new ATOM 0 HD2 ARG A 108 86.422 39.293 -20.147 1.00 0.00 H new ATOM 0 HD3 ARG A 108 86.857 38.199 -18.849 1.00 0.00 H new ATOM 0 HE ARG A 108 89.265 39.122 -20.085 1.00 0.00 H new ATOM 0 HH11 ARG A 108 86.695 40.447 -18.048 1.00 0.00 H new ATOM 0 HH12 ARG A 108 87.775 41.663 -17.359 1.00 0.00 H new ATOM 0 HH21 ARG A 108 90.549 40.678 -19.156 1.00 0.00 H new ATOM 0 HH22 ARG A 108 89.870 41.788 -17.961 1.00 0.00 H new ATOM 1411 N ARG A 109 83.823 36.298 -18.912 1.00 0.00 N ATOM 1412 CA ARG A 109 83.053 36.533 -17.667 1.00 0.00 C ATOM 1413 C ARG A 109 82.938 35.271 -16.800 1.00 0.00 C ATOM 1414 O ARG A 109 83.058 35.353 -15.578 1.00 0.00 O ATOM 1415 CB ARG A 109 81.635 37.031 -17.990 1.00 0.00 C ATOM 1416 CG ARG A 109 81.557 38.508 -18.399 1.00 0.00 C ATOM 1417 CD ARG A 109 80.097 38.864 -18.710 1.00 0.00 C ATOM 1418 NE ARG A 109 79.893 40.325 -18.809 1.00 0.00 N ATOM 1419 CZ ARG A 109 79.153 41.092 -18.020 1.00 0.00 C ATOM 1420 NH1 ARG A 109 78.551 40.651 -16.956 1.00 0.00 N ATOM 1421 NH2 ARG A 109 78.985 42.349 -18.287 1.00 0.00 N ATOM 0 H ARG A 109 83.256 36.335 -19.759 1.00 0.00 H new ATOM 0 HA ARG A 109 83.604 37.289 -17.108 1.00 0.00 H new ATOM 0 HB2 ARG A 109 81.224 36.422 -18.795 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.001 36.875 -17.117 1.00 0.00 H new ATOM 0 HG2 ARG A 109 81.936 39.141 -17.597 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.183 38.690 -19.272 1.00 0.00 H new ATOM 0 HD2 ARG A 109 79.800 38.392 -19.647 1.00 0.00 H new ATOM 0 HD3 ARG A 109 79.451 38.460 -17.931 1.00 0.00 H new ATOM 0 HE ARG A 109 80.377 40.797 -19.572 1.00 0.00 H new ATOM 0 HH11 ARG A 109 78.636 39.669 -16.692 1.00 0.00 H new ATOM 0 HH12 ARG A 109 77.994 41.286 -16.385 1.00 0.00 H new ATOM 0 HH21 ARG A 109 79.424 42.758 -19.112 1.00 0.00 H new ATOM 0 HH22 ARG A 109 78.414 42.929 -17.673 1.00 0.00 H new ATOM 1435 N TYR A 110 82.692 34.124 -17.437 1.00 0.00 N ATOM 1436 CA TYR A 110 82.225 32.885 -16.807 1.00 0.00 C ATOM 1437 C TYR A 110 83.083 31.673 -17.234 1.00 0.00 C ATOM 1438 O TYR A 110 82.614 30.800 -17.971 1.00 0.00 O ATOM 1439 CB TYR A 110 80.728 32.711 -17.131 1.00 0.00 C ATOM 1440 CG TYR A 110 79.866 33.923 -16.828 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.792 34.427 -15.517 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.173 34.566 -17.870 1.00 0.00 C ATOM 1443 CE1 TYR A 110 79.043 35.596 -15.258 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.389 35.707 -17.607 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.327 36.228 -16.296 1.00 0.00 C ATOM 1446 OH TYR A 110 77.578 37.334 -16.031 1.00 0.00 O ATOM 0 H TYR A 110 82.817 34.028 -18.445 1.00 0.00 H new ATOM 0 HA TYR A 110 82.340 32.947 -15.725 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.626 32.465 -18.188 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.345 31.860 -16.567 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.306 33.922 -14.712 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.242 34.183 -18.877 1.00 0.00 H new ATOM 0 HE1 TYR A 110 79.018 36.008 -14.260 1.00 0.00 H new ATOM 0 HE2 TYR A 110 77.838 36.181 -18.405 1.00 0.00 H new ATOM 0 HH TYR A 110 77.151 37.645 -16.856 1.00 0.00 H new ATOM 1456 N PRO A 111 84.345 31.574 -16.766 1.00 0.00 N ATOM 1457 CA PRO A 111 85.260 30.489 -17.145 1.00 0.00 C ATOM 1458 C PRO A 111 84.820 29.102 -16.640 1.00 0.00 C ATOM 1459 O PRO A 111 85.340 28.084 -17.102 1.00 0.00 O ATOM 1460 CB PRO A 111 86.625 30.902 -16.583 1.00 0.00 C ATOM 1461 CG PRO A 111 86.267 31.769 -15.376 1.00 0.00 C ATOM 1462 CD PRO A 111 85.011 32.495 -15.852 1.00 0.00 C ATOM 0 HA PRO A 111 85.280 30.367 -18.228 1.00 0.00 H new ATOM 0 HB2 PRO A 111 87.218 30.035 -16.292 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.210 31.457 -17.317 1.00 0.00 H new ATOM 0 HG2 PRO A 111 86.076 31.168 -14.487 1.00 0.00 H new ATOM 0 HG3 PRO A 111 87.067 32.465 -15.124 1.00 0.00 H new ATOM 0 HD2 PRO A 111 84.364 32.750 -15.012 1.00 0.00 H new ATOM 0 HD3 PRO A 111 85.265 33.429 -16.353 1.00 0.00 H new ATOM 1470 N HIS A 112 83.844 29.038 -15.722 1.00 0.00 N ATOM 1471 CA HIS A 112 83.215 27.792 -15.269 1.00 0.00 C ATOM 1472 C HIS A 112 82.273 27.167 -16.313 1.00 0.00 C ATOM 1473 O HIS A 112 81.995 25.967 -16.253 1.00 0.00 O ATOM 1474 CB HIS A 112 82.433 28.082 -13.978 1.00 0.00 C ATOM 1475 CG HIS A 112 81.080 28.728 -14.192 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.838 30.025 -14.666 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.885 28.102 -13.994 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.496 30.152 -14.704 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.911 29.023 -14.292 1.00 0.00 N ATOM 0 H HIS A 112 83.464 29.868 -15.266 1.00 0.00 H new ATOM 0 HA HIS A 112 84.010 27.066 -15.100 1.00 0.00 H new ATOM 0 HB2 HIS A 112 82.293 27.147 -13.436 1.00 0.00 H new ATOM 0 HB3 HIS A 112 83.035 28.732 -13.342 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.734 27.084 -13.667 1.00 0.00 H new ATOM 0 HE1 HIS A 112 78.969 31.039 -15.022 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.906 28.871 -14.212 1.00 0.00 H new ATOM 1487 N LEU A 113 81.746 27.981 -17.237 1.00 0.00 N ATOM 1488 CA LEU A 113 80.565 27.664 -18.030 1.00 0.00 C ATOM 1489 C LEU A 113 80.886 26.749 -19.227 1.00 0.00 C ATOM 1490 O LEU A 113 80.186 25.757 -19.453 1.00 0.00 O ATOM 1491 CB LEU A 113 79.950 29.026 -18.424 1.00 0.00 C ATOM 1492 CG LEU A 113 78.463 29.063 -18.793 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.190 28.359 -20.116 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.589 28.488 -17.689 1.00 0.00 C ATOM 0 H LEU A 113 82.142 28.896 -17.454 1.00 0.00 H new ATOM 0 HA LEU A 113 79.843 27.077 -17.463 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.106 29.715 -17.594 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.514 29.415 -19.272 1.00 0.00 H new ATOM 0 HG LEU A 113 78.200 30.114 -18.912 1.00 0.00 H new ATOM 0 HD11 LEU A 113 77.125 28.408 -20.341 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.752 28.849 -20.911 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.498 27.316 -20.043 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.543 28.534 -17.992 1.00 0.00 H new ATOM 0 HD22 LEU A 113 77.869 27.450 -17.506 1.00 0.00 H new ATOM 0 HD23 LEU A 113 77.728 29.067 -16.776 1.00 0.00 H new ATOM 1506 N ARG A 114 81.966 27.059 -19.962 1.00 0.00 N ATOM 1507 CA ARG A 114 82.427 26.346 -21.166 1.00 0.00 C ATOM 1508 C ARG A 114 83.961 26.274 -21.202 1.00 0.00 C ATOM 1509 O ARG A 114 84.623 27.336 -21.270 1.00 0.00 O ATOM 1510 CB ARG A 114 81.809 27.019 -22.408 1.00 0.00 C ATOM 1511 CG ARG A 114 81.906 26.217 -23.719 1.00 0.00 C ATOM 1512 CD ARG A 114 83.305 26.198 -24.347 1.00 0.00 C ATOM 1513 NE ARG A 114 83.279 25.606 -25.698 1.00 0.00 N ATOM 1514 CZ ARG A 114 84.280 25.565 -26.557 1.00 0.00 C ATOM 1515 NH1 ARG A 114 85.447 26.080 -26.287 1.00 0.00 N ATOM 1516 NH2 ARG A 114 84.128 24.995 -27.717 1.00 0.00 N ATOM 1517 OXT ARG A 114 84.496 25.143 -21.135 1.00 0.00 O ATOM 0 H ARG A 114 82.568 27.847 -19.724 1.00 0.00 H new ATOM 0 HA ARG A 114 82.089 25.310 -21.152 1.00 0.00 H new ATOM 0 HB2 ARG A 114 80.757 27.221 -22.204 1.00 0.00 H new ATOM 0 HB3 ARG A 114 82.296 27.983 -22.556 1.00 0.00 H new ATOM 0 HG2 ARG A 114 81.593 25.191 -23.527 1.00 0.00 H new ATOM 0 HG3 ARG A 114 81.203 26.635 -24.440 1.00 0.00 H new ATOM 0 HD2 ARG A 114 83.696 27.214 -24.401 1.00 0.00 H new ATOM 0 HD3 ARG A 114 83.983 25.629 -23.711 1.00 0.00 H new ATOM 0 HE ARG A 114 82.399 25.186 -25.998 1.00 0.00 H new ATOM 0 HH11 ARG A 114 85.609 26.533 -25.388 1.00 0.00 H new ATOM 0 HH12 ARG A 114 86.198 26.030 -26.975 1.00 0.00 H new ATOM 0 HH21 ARG A 114 83.232 24.577 -27.966 1.00 0.00 H new ATOM 0 HH22 ARG A 114 84.905 24.966 -28.377 1.00 0.00 H new