USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 857 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 36 HIS : no HD1:sc= -1.76 K(o=-2.7,f=-1.4) USER MOD Set 1.2: A 39 SER OG : rot 160:sc= -0.964 USER MOD Single : A 12 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.057) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 62:sc= 0.28 USER MOD Single : A 24 THR OG1 : rot -160:sc= -1.01 USER MOD Single : A 26 SER OG : rot 90:sc= 0.499 USER MOD Single : A 27 ASN : amide:sc= -0.283 K(o=-0.28,f=-3.7!) USER MOD Single : A 30 SER OG : rot -21:sc= 0.376 USER MOD Single : A 35 THR OG1 : rot -130:sc= -1.88! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= 0.443 (180deg=0.427) USER MOD Single : A 46 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.102) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.21) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.762 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0596 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 37:sc= -0.556 USER MOD Single : A 69 ASN : amide:sc= -1.87 K(o=-1.9,f=-5.7!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00967 USER MOD Single : A 80 SER OG : rot 49:sc= 0.204 USER MOD Single : A 83 THR OG1 : rot 132:sc= 0.338! USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 166:sc=-0.00485 (180deg=-0.279) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0103 USER MOD ----------------------------------------------------------------- ATOM 168 N HIS A 12 10.501 10.790 -9.127 1.00 11.33 N ATOM 169 CA HIS A 12 10.272 12.221 -8.960 1.00 14.14 C ATOM 170 C HIS A 12 10.627 12.667 -7.544 1.00 72.42 C ATOM 171 O HIS A 12 10.248 12.022 -6.566 1.00 52.30 O ATOM 172 CB HIS A 12 8.813 12.564 -9.264 1.00 1.22 C ATOM 173 CG HIS A 12 8.652 13.599 -10.335 1.00 30.04 C ATOM 174 ND1 HIS A 12 7.572 13.634 -11.191 1.00 62.54 N ATOM 175 CD2 HIS A 12 9.441 14.642 -10.684 1.00 21.21 C ATOM 176 CE1 HIS A 12 7.705 14.652 -12.023 1.00 31.34 C ATOM 177 NE2 HIS A 12 8.831 15.280 -11.735 1.00 54.14 N ATOM 0 HA HIS A 12 10.916 12.751 -9.661 1.00 14.14 H new ATOM 0 HB2 HIS A 12 8.290 11.656 -9.566 1.00 1.22 H new ATOM 0 HB3 HIS A 12 8.334 12.919 -8.352 1.00 1.22 H new ATOM 0 HD2 HIS A 12 10.376 14.920 -10.222 1.00 21.21 H new ATOM 0 HE1 HIS A 12 7.012 14.924 -12.805 1.00 31.34 H new ATOM 0 HE2 HIS A 12 9.189 16.105 -12.216 1.00 54.14 H new ATOM 185 N VAL A 13 11.358 13.772 -7.443 1.00 14.42 N ATOM 186 CA VAL A 13 11.764 14.304 -6.147 1.00 52.25 C ATOM 187 C VAL A 13 10.552 14.621 -5.279 1.00 54.51 C ATOM 188 O VAL A 13 9.522 15.079 -5.776 1.00 60.22 O ATOM 189 CB VAL A 13 12.616 15.578 -6.306 1.00 33.43 C ATOM 190 CG1 VAL A 13 13.957 15.247 -6.942 1.00 2.12 C ATOM 191 CG2 VAL A 13 11.869 16.619 -7.126 1.00 64.21 C ATOM 0 H VAL A 13 11.681 14.316 -8.243 1.00 14.42 H new ATOM 0 HA VAL A 13 12.363 13.533 -5.661 1.00 52.25 H new ATOM 0 HB VAL A 13 12.804 15.995 -5.317 1.00 33.43 H new ATOM 0 HG11 VAL A 13 14.545 16.159 -7.046 1.00 2.12 H new ATOM 0 HG12 VAL A 13 14.494 14.539 -6.311 1.00 2.12 H new ATOM 0 HG13 VAL A 13 13.794 14.806 -7.925 1.00 2.12 H new ATOM 0 HG21 VAL A 13 12.485 17.512 -7.228 1.00 64.21 H new ATOM 0 HG22 VAL A 13 11.649 16.215 -8.114 1.00 64.21 H new ATOM 0 HG23 VAL A 13 10.937 16.877 -6.624 1.00 64.21 H new ATOM 201 N ILE A 14 10.681 14.376 -3.980 1.00 2.33 N ATOM 202 CA ILE A 14 9.597 14.638 -3.042 1.00 34.44 C ATOM 203 C ILE A 14 9.406 16.135 -2.825 1.00 72.11 C ATOM 204 O ILE A 14 10.145 16.952 -3.374 1.00 2.32 O ATOM 205 CB ILE A 14 9.854 13.962 -1.681 1.00 53.35 C ATOM 206 CG1 ILE A 14 10.774 14.832 -0.822 1.00 34.43 C ATOM 207 CG2 ILE A 14 10.457 12.580 -1.882 1.00 42.20 C ATOM 208 CD1 ILE A 14 12.071 15.200 -1.507 1.00 20.23 C ATOM 0 H ILE A 14 11.526 13.996 -3.553 1.00 2.33 H new ATOM 0 HA ILE A 14 8.692 14.219 -3.482 1.00 34.44 H new ATOM 0 HB ILE A 14 8.903 13.849 -1.161 1.00 53.35 H new ATOM 0 HG12 ILE A 14 10.245 15.745 -0.548 1.00 34.43 H new ATOM 0 HG13 ILE A 14 10.999 14.304 0.105 1.00 34.43 H new ATOM 0 HG21 ILE A 14 10.633 12.115 -0.912 1.00 42.20 H new ATOM 0 HG22 ILE A 14 9.769 11.963 -2.460 1.00 42.20 H new ATOM 0 HG23 ILE A 14 11.402 12.670 -2.418 1.00 42.20 H new ATOM 0 HD11 ILE A 14 12.673 15.817 -0.840 1.00 20.23 H new ATOM 0 HD12 ILE A 14 12.621 14.293 -1.757 1.00 20.23 H new ATOM 0 HD13 ILE A 14 11.856 15.756 -2.419 1.00 20.23 H new ATOM 220 N LYS A 15 8.410 16.488 -2.020 1.00 11.52 N ATOM 221 CA LYS A 15 8.122 17.887 -1.727 1.00 2.54 C ATOM 222 C LYS A 15 7.341 18.021 -0.423 1.00 63.21 C ATOM 223 O LYS A 15 6.636 19.007 -0.209 1.00 24.12 O ATOM 224 CB LYS A 15 7.331 18.518 -2.874 1.00 55.24 C ATOM 225 CG LYS A 15 5.916 17.981 -3.005 1.00 12.12 C ATOM 226 CD LYS A 15 5.148 18.693 -4.106 1.00 1.53 C ATOM 227 CE LYS A 15 4.673 17.720 -5.173 1.00 52.14 C ATOM 228 NZ LYS A 15 5.704 17.506 -6.227 1.00 35.53 N ATOM 0 H LYS A 15 7.788 15.824 -1.558 1.00 11.52 H new ATOM 0 HA LYS A 15 9.071 18.411 -1.617 1.00 2.54 H new ATOM 0 HB2 LYS A 15 7.289 19.597 -2.725 1.00 55.24 H new ATOM 0 HB3 LYS A 15 7.864 18.346 -3.809 1.00 55.24 H new ATOM 0 HG2 LYS A 15 5.950 16.912 -3.217 1.00 12.12 H new ATOM 0 HG3 LYS A 15 5.391 18.102 -2.057 1.00 12.12 H new ATOM 0 HD2 LYS A 15 4.290 19.211 -3.676 1.00 1.53 H new ATOM 0 HD3 LYS A 15 5.783 19.452 -4.562 1.00 1.53 H new ATOM 0 HE2 LYS A 15 4.424 16.765 -4.709 1.00 52.14 H new ATOM 0 HE3 LYS A 15 3.759 18.100 -5.630 1.00 52.14 H new ATOM 0 HZ1 LYS A 15 5.342 16.837 -6.936 1.00 35.53 H new ATOM 0 HZ2 LYS A 15 5.923 18.412 -6.687 1.00 35.53 H new ATOM 0 HZ3 LYS A 15 6.567 17.119 -5.795 1.00 35.53 H new ATOM 242 N SER A 16 7.473 17.023 0.445 1.00 31.11 N ATOM 243 CA SER A 16 6.778 17.028 1.727 1.00 54.12 C ATOM 244 C SER A 16 7.107 15.773 2.529 1.00 64.22 C ATOM 245 O SER A 16 7.595 14.783 1.982 1.00 71.40 O ATOM 246 CB SER A 16 5.266 17.127 1.511 1.00 62.53 C ATOM 247 OG SER A 16 4.779 18.403 1.887 1.00 44.11 O ATOM 0 H SER A 16 8.055 16.201 0.284 1.00 31.11 H new ATOM 0 HA SER A 16 7.115 17.897 2.291 1.00 54.12 H new ATOM 0 HB2 SER A 16 5.032 16.940 0.463 1.00 62.53 H new ATOM 0 HB3 SER A 16 4.761 16.356 2.093 1.00 62.53 H new ATOM 0 HG SER A 16 5.197 19.091 1.327 1.00 44.11 H new ATOM 253 N LEU A 17 6.838 15.821 3.829 1.00 41.43 N ATOM 254 CA LEU A 17 7.106 14.689 4.708 1.00 35.24 C ATOM 255 C LEU A 17 6.322 13.458 4.265 1.00 72.34 C ATOM 256 O LEU A 17 6.896 12.393 4.038 1.00 3.52 O ATOM 257 CB LEU A 17 6.746 15.043 6.152 1.00 10.24 C ATOM 258 CG LEU A 17 7.658 14.461 7.233 1.00 15.02 C ATOM 259 CD1 LEU A 17 9.067 15.016 7.098 1.00 21.24 C ATOM 260 CD2 LEU A 17 7.097 14.754 8.618 1.00 64.54 C ATOM 0 H LEU A 17 6.434 16.632 4.298 1.00 41.43 H new ATOM 0 HA LEU A 17 8.170 14.460 4.650 1.00 35.24 H new ATOM 0 HB2 LEU A 17 6.747 16.129 6.250 1.00 10.24 H new ATOM 0 HB3 LEU A 17 5.727 14.706 6.344 1.00 10.24 H new ATOM 0 HG LEU A 17 7.702 13.380 7.102 1.00 15.02 H new ATOM 0 HD11 LEU A 17 9.702 14.591 7.875 1.00 21.24 H new ATOM 0 HD12 LEU A 17 9.469 14.755 6.119 1.00 21.24 H new ATOM 0 HD13 LEU A 17 9.042 16.101 7.203 1.00 21.24 H new ATOM 0 HD21 LEU A 17 7.758 14.333 9.375 1.00 64.54 H new ATOM 0 HD22 LEU A 17 7.023 15.832 8.760 1.00 64.54 H new ATOM 0 HD23 LEU A 17 6.107 14.307 8.712 1.00 64.54 H new ATOM 272 N GLU A 18 5.007 13.612 4.141 1.00 43.33 N ATOM 273 CA GLU A 18 4.146 12.513 3.722 1.00 34.24 C ATOM 274 C GLU A 18 4.662 11.876 2.436 1.00 64.15 C ATOM 275 O GLU A 18 4.773 10.654 2.337 1.00 52.40 O ATOM 276 CB GLU A 18 2.712 13.008 3.519 1.00 21.34 C ATOM 277 CG GLU A 18 1.672 12.178 4.253 1.00 20.21 C ATOM 278 CD GLU A 18 0.277 12.357 3.687 1.00 50.24 C ATOM 279 OE1 GLU A 18 -0.636 11.621 4.116 1.00 12.31 O ATOM 280 OE2 GLU A 18 0.098 13.233 2.814 1.00 22.43 O ATOM 0 H GLU A 18 4.516 14.487 4.325 1.00 43.33 H new ATOM 0 HA GLU A 18 4.155 11.759 4.509 1.00 34.24 H new ATOM 0 HB2 GLU A 18 2.643 14.042 3.856 1.00 21.34 H new ATOM 0 HB3 GLU A 18 2.482 13.003 2.453 1.00 21.34 H new ATOM 0 HG2 GLU A 18 1.949 11.125 4.200 1.00 20.21 H new ATOM 0 HG3 GLU A 18 1.670 12.454 5.307 1.00 20.21 H new ATOM 287 N GLU A 19 4.977 12.714 1.452 1.00 33.43 N ATOM 288 CA GLU A 19 5.480 12.232 0.171 1.00 3.23 C ATOM 289 C GLU A 19 6.650 11.273 0.372 1.00 33.42 C ATOM 290 O GLU A 19 6.795 10.291 -0.358 1.00 12.04 O ATOM 291 CB GLU A 19 5.916 13.408 -0.705 1.00 41.31 C ATOM 292 CG GLU A 19 5.707 13.170 -2.191 1.00 41.32 C ATOM 293 CD GLU A 19 4.287 13.464 -2.635 1.00 2.20 C ATOM 294 OE1 GLU A 19 4.019 13.390 -3.853 1.00 25.54 O ATOM 295 OE2 GLU A 19 3.444 13.769 -1.766 1.00 3.13 O ATOM 0 H GLU A 19 4.893 13.728 1.518 1.00 33.43 H new ATOM 0 HA GLU A 19 4.674 11.695 -0.328 1.00 3.23 H new ATOM 0 HB2 GLU A 19 5.361 14.298 -0.407 1.00 41.31 H new ATOM 0 HB3 GLU A 19 6.971 13.614 -0.523 1.00 41.31 H new ATOM 0 HG2 GLU A 19 6.397 13.796 -2.756 1.00 41.32 H new ATOM 0 HG3 GLU A 19 5.950 12.134 -2.427 1.00 41.32 H new ATOM 302 N LEU A 20 7.482 11.564 1.366 1.00 33.51 N ATOM 303 CA LEU A 20 8.640 10.728 1.664 1.00 34.31 C ATOM 304 C LEU A 20 8.206 9.369 2.205 1.00 73.04 C ATOM 305 O LEU A 20 8.442 8.336 1.577 1.00 12.25 O ATOM 306 CB LEU A 20 9.550 11.425 2.677 1.00 53.14 C ATOM 307 CG LEU A 20 11.053 11.224 2.478 1.00 15.32 C ATOM 308 CD1 LEU A 20 11.558 12.080 1.327 1.00 0.12 C ATOM 309 CD2 LEU A 20 11.808 11.549 3.759 1.00 53.33 C ATOM 0 H LEU A 20 7.376 12.372 1.979 1.00 33.51 H new ATOM 0 HA LEU A 20 9.191 10.571 0.737 1.00 34.31 H new ATOM 0 HB2 LEU A 20 9.340 12.494 2.649 1.00 53.14 H new ATOM 0 HB3 LEU A 20 9.286 11.074 3.675 1.00 53.14 H new ATOM 0 HG LEU A 20 11.231 10.178 2.230 1.00 15.32 H new ATOM 0 HD11 LEU A 20 12.629 11.924 1.200 1.00 0.12 H new ATOM 0 HD12 LEU A 20 11.039 11.800 0.410 1.00 0.12 H new ATOM 0 HD13 LEU A 20 11.368 13.131 1.544 1.00 0.12 H new ATOM 0 HD21 LEU A 20 12.876 11.401 3.600 1.00 53.33 H new ATOM 0 HD22 LEU A 20 11.623 12.587 4.037 1.00 53.33 H new ATOM 0 HD23 LEU A 20 11.466 10.893 4.559 1.00 53.33 H new ATOM 321 N ARG A 21 7.568 9.378 3.371 1.00 64.11 N ATOM 322 CA ARG A 21 7.100 8.146 3.995 1.00 4.42 C ATOM 323 C ARG A 21 6.240 7.339 3.028 1.00 40.15 C ATOM 324 O ARG A 21 6.177 6.113 3.114 1.00 54.34 O ATOM 325 CB ARG A 21 6.303 8.463 5.262 1.00 74.34 C ATOM 326 CG ARG A 21 7.128 8.388 6.536 1.00 73.41 C ATOM 327 CD ARG A 21 6.499 7.448 7.552 1.00 35.34 C ATOM 328 NE ARG A 21 6.867 6.055 7.312 1.00 43.20 N ATOM 329 CZ ARG A 21 8.079 5.565 7.547 1.00 63.10 C ATOM 330 NH1 ARG A 21 9.034 6.350 8.026 1.00 21.04 N ATOM 331 NH2 ARG A 21 8.338 4.287 7.303 1.00 70.42 N ATOM 0 H ARG A 21 7.363 10.224 3.902 1.00 64.11 H new ATOM 0 HA ARG A 21 7.972 7.549 4.262 1.00 4.42 H new ATOM 0 HB2 ARG A 21 5.878 9.463 5.173 1.00 74.34 H new ATOM 0 HB3 ARG A 21 5.468 7.767 5.339 1.00 74.34 H new ATOM 0 HG2 ARG A 21 8.136 8.047 6.299 1.00 73.41 H new ATOM 0 HG3 ARG A 21 7.222 9.384 6.969 1.00 73.41 H new ATOM 0 HD2 ARG A 21 6.811 7.738 8.555 1.00 35.34 H new ATOM 0 HD3 ARG A 21 5.414 7.548 7.515 1.00 35.34 H new ATOM 0 HE ARG A 21 6.155 5.424 6.944 1.00 43.20 H new ATOM 0 HH11 ARG A 21 8.839 7.333 8.215 1.00 21.04 H new ATOM 0 HH12 ARG A 21 9.964 5.971 8.205 1.00 21.04 H new ATOM 0 HH21 ARG A 21 7.606 3.680 6.935 1.00 70.42 H new ATOM 0 HH22 ARG A 21 9.269 3.912 7.484 1.00 70.42 H new ATOM 345 N GLU A 22 5.580 8.036 2.108 1.00 13.10 N ATOM 346 CA GLU A 22 4.722 7.383 1.126 1.00 43.44 C ATOM 347 C GLU A 22 5.554 6.748 0.015 1.00 75.12 C ATOM 348 O GLU A 22 5.186 5.709 -0.533 1.00 51.21 O ATOM 349 CB GLU A 22 3.736 8.389 0.528 1.00 44.41 C ATOM 350 CG GLU A 22 2.784 7.779 -0.487 1.00 1.13 C ATOM 351 CD GLU A 22 1.385 7.588 0.067 1.00 5.31 C ATOM 352 OE1 GLU A 22 1.259 7.041 1.183 1.00 44.31 O ATOM 353 OE2 GLU A 22 0.418 7.985 -0.615 1.00 15.25 O ATOM 0 H GLU A 22 5.623 9.051 2.022 1.00 13.10 H new ATOM 0 HA GLU A 22 4.164 6.597 1.634 1.00 43.44 H new ATOM 0 HB2 GLU A 22 3.155 8.839 1.334 1.00 44.41 H new ATOM 0 HB3 GLU A 22 4.296 9.194 0.051 1.00 44.41 H new ATOM 0 HG2 GLU A 22 2.738 8.420 -1.367 1.00 1.13 H new ATOM 0 HG3 GLU A 22 3.176 6.816 -0.814 1.00 1.13 H new ATOM 360 N ALA A 23 6.676 7.380 -0.312 1.00 53.41 N ATOM 361 CA ALA A 23 7.560 6.877 -1.356 1.00 1.03 C ATOM 362 C ALA A 23 8.403 5.713 -0.846 1.00 44.04 C ATOM 363 O ALA A 23 8.863 4.877 -1.626 1.00 13.23 O ATOM 364 CB ALA A 23 8.455 7.993 -1.873 1.00 3.43 C ATOM 0 H ALA A 23 6.994 8.242 0.131 1.00 53.41 H new ATOM 0 HA ALA A 23 6.942 6.513 -2.177 1.00 1.03 H new ATOM 0 HB1 ALA A 23 9.110 7.603 -2.652 1.00 3.43 H new ATOM 0 HB2 ALA A 23 7.839 8.793 -2.284 1.00 3.43 H new ATOM 0 HB3 ALA A 23 9.059 8.384 -1.054 1.00 3.43 H new ATOM 370 N THR A 24 8.605 5.664 0.467 1.00 53.02 N ATOM 371 CA THR A 24 9.394 4.604 1.080 1.00 65.31 C ATOM 372 C THR A 24 8.633 3.283 1.085 1.00 55.41 C ATOM 373 O THR A 24 9.202 2.229 1.364 1.00 73.53 O ATOM 374 CB THR A 24 9.789 4.961 2.525 1.00 10.13 C ATOM 375 OG1 THR A 24 9.239 6.234 2.883 1.00 70.02 O ATOM 376 CG2 THR A 24 11.302 4.995 2.681 1.00 71.03 C ATOM 0 H THR A 24 8.232 6.347 1.126 1.00 53.02 H new ATOM 0 HA THR A 24 10.298 4.497 0.480 1.00 65.31 H new ATOM 0 HB THR A 24 9.389 4.193 3.187 1.00 10.13 H new ATOM 0 HG1 THR A 24 9.732 6.600 3.647 1.00 70.02 H new ATOM 0 HG21 THR A 24 11.556 5.249 3.710 1.00 71.03 H new ATOM 0 HG22 THR A 24 11.715 4.016 2.437 1.00 71.03 H new ATOM 0 HG23 THR A 24 11.720 5.744 2.008 1.00 71.03 H new ATOM 384 N ALA A 25 7.342 3.349 0.774 1.00 41.11 N ATOM 385 CA ALA A 25 6.503 2.158 0.740 1.00 71.30 C ATOM 386 C ALA A 25 6.407 1.594 -0.674 1.00 12.13 C ATOM 387 O ALA A 25 5.570 0.736 -0.954 1.00 64.43 O ATOM 388 CB ALA A 25 5.116 2.474 1.280 1.00 71.32 C ATOM 0 H ALA A 25 6.855 4.215 0.542 1.00 41.11 H new ATOM 0 HA ALA A 25 6.964 1.401 1.374 1.00 71.30 H new ATOM 0 HB1 ALA A 25 4.500 1.575 1.249 1.00 71.32 H new ATOM 0 HB2 ALA A 25 5.197 2.823 2.310 1.00 71.32 H new ATOM 0 HB3 ALA A 25 4.656 3.251 0.669 1.00 71.32 H new ATOM 394 N SER A 26 7.268 2.083 -1.561 1.00 34.04 N ATOM 395 CA SER A 26 7.276 1.631 -2.947 1.00 23.11 C ATOM 396 C SER A 26 7.655 0.155 -3.035 1.00 14.42 C ATOM 397 O SER A 26 8.256 -0.398 -2.116 1.00 4.14 O ATOM 398 CB SER A 26 8.253 2.470 -3.773 1.00 25.41 C ATOM 399 OG SER A 26 7.711 3.746 -4.062 1.00 42.44 O ATOM 0 H SER A 26 7.969 2.792 -1.344 1.00 34.04 H new ATOM 0 HA SER A 26 6.271 1.755 -3.350 1.00 23.11 H new ATOM 0 HB2 SER A 26 9.190 2.584 -3.228 1.00 25.41 H new ATOM 0 HB3 SER A 26 8.486 1.951 -4.703 1.00 25.41 H new ATOM 0 HG SER A 26 7.958 4.375 -3.352 1.00 42.44 H new ATOM 405 N ASN A 27 7.296 -0.475 -4.148 1.00 64.44 N ATOM 406 CA ASN A 27 7.597 -1.887 -4.358 1.00 21.14 C ATOM 407 C ASN A 27 8.906 -2.057 -5.122 1.00 43.15 C ATOM 408 O ASN A 27 9.017 -2.911 -6.002 1.00 54.35 O ATOM 409 CB ASN A 27 6.457 -2.565 -5.119 1.00 73.54 C ATOM 410 CG ASN A 27 6.402 -2.143 -6.575 1.00 13.33 C ATOM 411 OD1 ASN A 27 6.578 -0.968 -6.899 1.00 22.24 O ATOM 412 ND2 ASN A 27 6.156 -3.101 -7.460 1.00 74.32 N ATOM 0 H ASN A 27 6.796 -0.031 -4.919 1.00 64.44 H new ATOM 0 HA ASN A 27 7.704 -2.359 -3.381 1.00 21.14 H new ATOM 0 HB2 ASN A 27 6.578 -3.647 -5.061 1.00 73.54 H new ATOM 0 HB3 ASN A 27 5.509 -2.324 -4.638 1.00 73.54 H new ATOM 0 HD21 ASN A 27 6.106 -2.877 -8.454 1.00 74.32 H new ATOM 0 HD22 ASN A 27 6.017 -4.061 -7.146 1.00 74.32 H new ATOM 419 N ARG A 28 9.896 -1.238 -4.780 1.00 33.41 N ATOM 420 CA ARG A 28 11.197 -1.297 -5.434 1.00 62.43 C ATOM 421 C ARG A 28 12.286 -0.722 -4.533 1.00 34.33 C ATOM 422 O ARG A 28 12.054 -0.464 -3.351 1.00 41.23 O ATOM 423 CB ARG A 28 11.161 -0.533 -6.759 1.00 72.10 C ATOM 424 CG ARG A 28 11.781 -1.295 -7.919 1.00 74.00 C ATOM 425 CD ARG A 28 10.875 -2.420 -8.394 1.00 34.21 C ATOM 426 NE ARG A 28 11.235 -3.703 -7.795 1.00 52.31 N ATOM 427 CZ ARG A 28 12.327 -4.385 -8.121 1.00 1.22 C ATOM 428 NH1 ARG A 28 13.162 -3.909 -9.035 1.00 32.44 N ATOM 429 NH2 ARG A 28 12.586 -5.545 -7.531 1.00 65.14 N ATOM 0 H ARG A 28 9.821 -0.526 -4.054 1.00 33.41 H new ATOM 0 HA ARG A 28 11.428 -2.344 -5.632 1.00 62.43 H new ATOM 0 HB2 ARG A 28 10.126 -0.295 -7.004 1.00 72.10 H new ATOM 0 HB3 ARG A 28 11.685 0.415 -6.636 1.00 72.10 H new ATOM 0 HG2 ARG A 28 11.975 -0.609 -8.744 1.00 74.00 H new ATOM 0 HG3 ARG A 28 12.743 -1.706 -7.613 1.00 74.00 H new ATOM 0 HD2 ARG A 28 9.841 -2.182 -8.146 1.00 34.21 H new ATOM 0 HD3 ARG A 28 10.933 -2.498 -9.480 1.00 34.21 H new ATOM 0 HE ARG A 28 10.614 -4.096 -7.088 1.00 52.31 H new ATOM 0 HH11 ARG A 28 12.966 -3.017 -9.489 1.00 32.44 H new ATOM 0 HH12 ARG A 28 14.000 -4.435 -9.283 1.00 32.44 H new ATOM 0 HH21 ARG A 28 11.946 -5.913 -6.827 1.00 65.14 H new ATOM 0 HH22 ARG A 28 13.425 -6.069 -7.782 1.00 65.14 H new ATOM 443 N ILE A 29 13.472 -0.525 -5.098 1.00 31.41 N ATOM 444 CA ILE A 29 14.595 0.019 -4.345 1.00 41.23 C ATOM 445 C ILE A 29 14.836 1.483 -4.700 1.00 22.34 C ATOM 446 O ILE A 29 15.234 1.804 -5.819 1.00 71.44 O ATOM 447 CB ILE A 29 15.886 -0.779 -4.604 1.00 63.32 C ATOM 448 CG1 ILE A 29 15.618 -2.280 -4.477 1.00 32.33 C ATOM 449 CG2 ILE A 29 16.979 -0.347 -3.638 1.00 20.23 C ATOM 450 CD1 ILE A 29 15.034 -2.678 -3.139 1.00 61.21 C ATOM 0 H ILE A 29 13.680 -0.734 -6.074 1.00 31.41 H new ATOM 0 HA ILE A 29 14.335 -0.059 -3.289 1.00 41.23 H new ATOM 0 HB ILE A 29 16.224 -0.574 -5.620 1.00 63.32 H new ATOM 0 HG12 ILE A 29 14.935 -2.587 -5.269 1.00 32.33 H new ATOM 0 HG13 ILE A 29 16.551 -2.822 -4.633 1.00 32.33 H new ATOM 0 HG21 ILE A 29 17.885 -0.920 -3.834 1.00 20.23 H new ATOM 0 HG22 ILE A 29 17.185 0.715 -3.773 1.00 20.23 H new ATOM 0 HG23 ILE A 29 16.651 -0.526 -2.614 1.00 20.23 H new ATOM 0 HD11 ILE A 29 14.870 -3.755 -3.120 1.00 61.21 H new ATOM 0 HD12 ILE A 29 15.726 -2.402 -2.343 1.00 61.21 H new ATOM 0 HD13 ILE A 29 14.085 -2.164 -2.989 1.00 61.21 H new ATOM 462 N SER A 30 14.594 2.367 -3.737 1.00 22.52 N ATOM 463 CA SER A 30 14.783 3.797 -3.947 1.00 41.12 C ATOM 464 C SER A 30 16.003 4.302 -3.183 1.00 42.22 C ATOM 465 O SER A 30 16.318 3.812 -2.099 1.00 32.24 O ATOM 466 CB SER A 30 13.537 4.568 -3.507 1.00 72.33 C ATOM 467 OG SER A 30 12.386 4.115 -4.200 1.00 44.33 O ATOM 0 H SER A 30 14.267 2.118 -2.804 1.00 22.52 H new ATOM 0 HA SER A 30 14.948 3.964 -5.011 1.00 41.12 H new ATOM 0 HB2 SER A 30 13.390 4.447 -2.434 1.00 72.33 H new ATOM 0 HB3 SER A 30 13.681 5.633 -3.691 1.00 72.33 H new ATOM 0 HG SER A 30 12.658 3.659 -5.024 1.00 44.33 H new ATOM 473 N VAL A 31 16.688 5.287 -3.757 1.00 75.55 N ATOM 474 CA VAL A 31 17.873 5.860 -3.132 1.00 12.15 C ATOM 475 C VAL A 31 17.540 7.165 -2.417 1.00 31.24 C ATOM 476 O VAL A 31 17.167 8.153 -3.049 1.00 41.32 O ATOM 477 CB VAL A 31 18.982 6.123 -4.167 1.00 5.52 C ATOM 478 CG1 VAL A 31 20.332 6.262 -3.479 1.00 43.04 C ATOM 479 CG2 VAL A 31 19.016 5.013 -5.206 1.00 35.11 C ATOM 0 H VAL A 31 16.441 5.704 -4.655 1.00 75.55 H new ATOM 0 HA VAL A 31 18.231 5.131 -2.405 1.00 12.15 H new ATOM 0 HB VAL A 31 18.763 7.060 -4.678 1.00 5.52 H new ATOM 0 HG11 VAL A 31 21.104 6.447 -4.226 1.00 43.04 H new ATOM 0 HG12 VAL A 31 20.299 7.095 -2.777 1.00 43.04 H new ATOM 0 HG13 VAL A 31 20.562 5.343 -2.940 1.00 43.04 H new ATOM 0 HG21 VAL A 31 19.806 5.216 -5.929 1.00 35.11 H new ATOM 0 HG22 VAL A 31 19.210 4.060 -4.714 1.00 35.11 H new ATOM 0 HG23 VAL A 31 18.056 4.967 -5.720 1.00 35.11 H new ATOM 489 N ILE A 32 17.677 7.161 -1.095 1.00 64.50 N ATOM 490 CA ILE A 32 17.393 8.345 -0.294 1.00 73.41 C ATOM 491 C ILE A 32 18.660 9.152 -0.037 1.00 43.43 C ATOM 492 O ILE A 32 19.442 8.834 0.859 1.00 72.40 O ATOM 493 CB ILE A 32 16.753 7.970 1.056 1.00 5.53 C ATOM 494 CG1 ILE A 32 15.582 7.010 0.842 1.00 54.41 C ATOM 495 CG2 ILE A 32 16.293 9.222 1.789 1.00 20.30 C ATOM 496 CD1 ILE A 32 15.836 5.618 1.376 1.00 14.21 C ATOM 0 H ILE A 32 17.983 6.351 -0.556 1.00 64.50 H new ATOM 0 HA ILE A 32 16.690 8.951 -0.865 1.00 73.41 H new ATOM 0 HB ILE A 32 17.501 7.467 1.669 1.00 5.53 H new ATOM 0 HG12 ILE A 32 14.695 7.419 1.325 1.00 54.41 H new ATOM 0 HG13 ILE A 32 15.365 6.947 -0.224 1.00 54.41 H new ATOM 0 HG21 ILE A 32 15.843 8.941 2.741 1.00 20.30 H new ATOM 0 HG22 ILE A 32 17.149 9.873 1.970 1.00 20.30 H new ATOM 0 HG23 ILE A 32 15.558 9.750 1.182 1.00 20.30 H new ATOM 0 HD11 ILE A 32 14.963 4.992 1.189 1.00 14.21 H new ATOM 0 HD12 ILE A 32 16.704 5.189 0.876 1.00 14.21 H new ATOM 0 HD13 ILE A 32 16.024 5.668 2.449 1.00 14.21 H new ATOM 508 N VAL A 33 18.857 10.202 -0.829 1.00 64.31 N ATOM 509 CA VAL A 33 20.029 11.058 -0.686 1.00 53.11 C ATOM 510 C VAL A 33 19.641 12.437 -0.164 1.00 51.13 C ATOM 511 O VAL A 33 18.810 13.126 -0.756 1.00 75.44 O ATOM 512 CB VAL A 33 20.773 11.219 -2.025 1.00 25.32 C ATOM 513 CG1 VAL A 33 22.098 11.938 -1.816 1.00 74.35 C ATOM 514 CG2 VAL A 33 20.991 9.863 -2.679 1.00 32.40 C ATOM 0 H VAL A 33 18.220 10.480 -1.576 1.00 64.31 H new ATOM 0 HA VAL A 33 20.690 10.573 0.032 1.00 53.11 H new ATOM 0 HB VAL A 33 20.159 11.824 -2.692 1.00 25.32 H new ATOM 0 HG11 VAL A 33 22.610 12.043 -2.773 1.00 74.35 H new ATOM 0 HG12 VAL A 33 21.913 12.925 -1.393 1.00 74.35 H new ATOM 0 HG13 VAL A 33 22.721 11.361 -1.132 1.00 74.35 H new ATOM 0 HG21 VAL A 33 21.518 9.995 -3.624 1.00 32.40 H new ATOM 0 HG22 VAL A 33 21.584 9.231 -2.018 1.00 32.40 H new ATOM 0 HG23 VAL A 33 20.027 9.389 -2.864 1.00 32.40 H new ATOM 524 N PHE A 34 20.249 12.835 0.948 1.00 10.22 N ATOM 525 CA PHE A 34 19.967 14.133 1.551 1.00 22.31 C ATOM 526 C PHE A 34 20.900 15.205 0.995 1.00 32.21 C ATOM 527 O PHE A 34 22.114 15.152 1.193 1.00 1.43 O ATOM 528 CB PHE A 34 20.112 14.054 3.072 1.00 13.24 C ATOM 529 CG PHE A 34 19.905 12.672 3.624 1.00 42.34 C ATOM 530 CD1 PHE A 34 18.697 12.016 3.450 1.00 44.05 C ATOM 531 CD2 PHE A 34 20.919 12.030 4.316 1.00 32.13 C ATOM 532 CE1 PHE A 34 18.504 10.744 3.955 1.00 2.22 C ATOM 533 CE2 PHE A 34 20.731 10.758 4.824 1.00 45.12 C ATOM 534 CZ PHE A 34 19.522 10.115 4.644 1.00 24.11 C ATOM 0 H PHE A 34 20.940 12.278 1.450 1.00 10.22 H new ATOM 0 HA PHE A 34 18.941 14.406 1.304 1.00 22.31 H new ATOM 0 HB2 PHE A 34 21.106 14.403 3.353 1.00 13.24 H new ATOM 0 HB3 PHE A 34 19.394 14.732 3.533 1.00 13.24 H new ATOM 0 HD1 PHE A 34 17.897 12.504 2.914 1.00 44.05 H new ATOM 0 HD2 PHE A 34 21.866 12.528 4.460 1.00 32.13 H new ATOM 0 HE1 PHE A 34 17.558 10.243 3.811 1.00 2.22 H new ATOM 0 HE2 PHE A 34 21.529 10.267 5.361 1.00 45.12 H new ATOM 0 HZ PHE A 34 19.373 9.122 5.041 1.00 24.11 H new ATOM 544 N THR A 35 20.323 16.178 0.296 1.00 21.14 N ATOM 545 CA THR A 35 21.101 17.262 -0.290 1.00 71.24 C ATOM 546 C THR A 35 20.278 18.542 -0.383 1.00 21.34 C ATOM 547 O THR A 35 19.118 18.518 -0.795 1.00 71.50 O ATOM 548 CB THR A 35 21.611 16.890 -1.696 1.00 11.44 C ATOM 549 OG1 THR A 35 20.986 15.681 -2.140 1.00 22.13 O ATOM 550 CG2 THR A 35 23.122 16.716 -1.694 1.00 60.23 C ATOM 0 H THR A 35 19.320 16.237 0.122 1.00 21.14 H new ATOM 0 HA THR A 35 21.955 17.429 0.367 1.00 71.24 H new ATOM 0 HB THR A 35 21.356 17.701 -2.378 1.00 11.44 H new ATOM 0 HG1 THR A 35 21.670 15.058 -2.463 1.00 22.13 H new ATOM 0 HG21 THR A 35 23.459 16.454 -2.697 1.00 60.23 H new ATOM 0 HG22 THR A 35 23.595 17.648 -1.384 1.00 60.23 H new ATOM 0 HG23 THR A 35 23.396 15.922 -1.000 1.00 60.23 H new ATOM 558 N HIS A 36 20.885 19.659 0.003 1.00 5.42 N ATOM 559 CA HIS A 36 20.208 20.951 -0.038 1.00 23.45 C ATOM 560 C HIS A 36 20.688 21.779 -1.226 1.00 25.43 C ATOM 561 O HIS A 36 21.801 21.607 -1.724 1.00 2.13 O ATOM 562 CB HIS A 36 20.448 21.717 1.263 1.00 1.34 C ATOM 563 CG HIS A 36 21.885 21.745 1.686 1.00 33.02 C ATOM 564 ND1 HIS A 36 22.309 21.350 2.937 1.00 33.05 N ATOM 565 CD2 HIS A 36 22.998 22.122 1.015 1.00 10.00 C ATOM 566 CE1 HIS A 36 23.620 21.485 3.018 1.00 24.43 C ATOM 567 NE2 HIS A 36 24.063 21.951 1.865 1.00 62.04 N ATOM 0 H HIS A 36 21.844 19.696 0.348 1.00 5.42 H new ATOM 0 HA HIS A 36 19.139 20.770 -0.153 1.00 23.45 H new ATOM 0 HB2 HIS A 36 20.093 22.741 1.143 1.00 1.34 H new ATOM 0 HB3 HIS A 36 19.853 21.264 2.056 1.00 1.34 H new ATOM 0 HD2 HIS A 36 23.041 22.489 0.000 1.00 10.00 H new ATOM 0 HE1 HIS A 36 24.227 21.254 3.881 1.00 24.43 H new ATOM 0 HE2 HIS A 36 25.038 22.151 1.642 1.00 62.04 H new ATOM 575 N PRO A 37 19.831 22.698 -1.692 1.00 55.13 N ATOM 576 CA PRO A 37 20.145 23.571 -2.827 1.00 63.55 C ATOM 577 C PRO A 37 21.217 24.601 -2.487 1.00 72.32 C ATOM 578 O PRO A 37 21.694 25.325 -3.360 1.00 42.44 O ATOM 579 CB PRO A 37 18.813 24.263 -3.123 1.00 35.11 C ATOM 580 CG PRO A 37 18.075 24.232 -1.829 1.00 53.21 C ATOM 581 CD PRO A 37 18.487 22.957 -1.147 1.00 43.12 C ATOM 0 HA PRO A 37 20.546 23.012 -3.672 1.00 63.55 H new ATOM 0 HB2 PRO A 37 18.966 25.286 -3.467 1.00 35.11 H new ATOM 0 HB3 PRO A 37 18.262 23.742 -3.906 1.00 35.11 H new ATOM 0 HG2 PRO A 37 18.323 25.099 -1.217 1.00 53.21 H new ATOM 0 HG3 PRO A 37 16.998 24.256 -1.994 1.00 53.21 H new ATOM 0 HD2 PRO A 37 18.508 23.070 -0.063 1.00 43.12 H new ATOM 0 HD3 PRO A 37 17.799 22.142 -1.370 1.00 43.12 H new ATOM 589 N ASP A 38 21.591 24.660 -1.214 1.00 33.12 N ATOM 590 CA ASP A 38 22.608 25.601 -0.758 1.00 74.25 C ATOM 591 C ASP A 38 23.958 24.909 -0.604 1.00 62.43 C ATOM 592 O ASP A 38 24.389 24.607 0.509 1.00 72.03 O ATOM 593 CB ASP A 38 22.190 26.233 0.570 1.00 32.22 C ATOM 594 CG ASP A 38 23.302 27.051 1.197 1.00 33.53 C ATOM 595 OD1 ASP A 38 23.701 28.070 0.596 1.00 73.01 O ATOM 596 OD2 ASP A 38 23.772 26.672 2.290 1.00 64.40 O ATOM 0 H ASP A 38 21.205 24.067 -0.479 1.00 33.12 H new ATOM 0 HA ASP A 38 22.705 26.385 -1.509 1.00 74.25 H new ATOM 0 HB2 ASP A 38 21.321 26.871 0.408 1.00 32.22 H new ATOM 0 HB3 ASP A 38 21.885 25.448 1.263 1.00 32.22 H new ATOM 601 N SER A 39 24.621 24.659 -1.729 1.00 23.11 N ATOM 602 CA SER A 39 25.921 23.998 -1.719 1.00 70.32 C ATOM 603 C SER A 39 26.625 24.164 -3.062 1.00 43.43 C ATOM 604 O SER A 39 26.435 23.366 -3.980 1.00 51.22 O ATOM 605 CB SER A 39 25.758 22.511 -1.397 1.00 1.11 C ATOM 606 OG SER A 39 26.850 22.033 -0.630 1.00 72.24 O ATOM 0 H SER A 39 24.279 24.904 -2.658 1.00 23.11 H new ATOM 0 HA SER A 39 26.533 24.465 -0.947 1.00 70.32 H new ATOM 0 HB2 SER A 39 24.829 22.354 -0.850 1.00 1.11 H new ATOM 0 HB3 SER A 39 25.683 21.941 -2.323 1.00 1.11 H new ATOM 0 HG SER A 39 26.591 21.207 -0.171 1.00 72.24 H new ATOM 612 N LYS A 40 27.441 25.208 -3.170 1.00 55.01 N ATOM 613 CA LYS A 40 28.176 25.481 -4.399 1.00 53.42 C ATOM 614 C LYS A 40 29.423 24.608 -4.493 1.00 53.00 C ATOM 615 O LYS A 40 29.740 24.075 -5.556 1.00 70.04 O ATOM 616 CB LYS A 40 28.569 26.959 -4.465 1.00 31.03 C ATOM 617 CG LYS A 40 29.425 27.413 -3.295 1.00 62.12 C ATOM 618 CD LYS A 40 29.114 28.846 -2.899 1.00 54.43 C ATOM 619 CE LYS A 40 30.158 29.400 -1.942 1.00 31.32 C ATOM 620 NZ LYS A 40 29.840 30.791 -1.518 1.00 51.51 N ATOM 0 H LYS A 40 27.610 25.879 -2.420 1.00 55.01 H new ATOM 0 HA LYS A 40 27.525 25.246 -5.241 1.00 53.42 H new ATOM 0 HB2 LYS A 40 29.111 27.141 -5.393 1.00 31.03 H new ATOM 0 HB3 LYS A 40 27.664 27.566 -4.500 1.00 31.03 H new ATOM 0 HG2 LYS A 40 29.257 26.755 -2.443 1.00 62.12 H new ATOM 0 HG3 LYS A 40 30.479 27.328 -3.560 1.00 62.12 H new ATOM 0 HD2 LYS A 40 29.070 29.470 -3.792 1.00 54.43 H new ATOM 0 HD3 LYS A 40 28.131 28.890 -2.431 1.00 54.43 H new ATOM 0 HE2 LYS A 40 30.222 28.758 -1.063 1.00 31.32 H new ATOM 0 HE3 LYS A 40 31.137 29.382 -2.422 1.00 31.32 H new ATOM 0 HZ1 LYS A 40 30.575 31.132 -0.866 1.00 51.51 H new ATOM 0 HZ2 LYS A 40 29.804 31.409 -2.354 1.00 51.51 H new ATOM 0 HZ3 LYS A 40 28.918 30.805 -1.037 1.00 51.51 H new ATOM 634 N ARG A 41 30.125 24.465 -3.374 1.00 30.12 N ATOM 635 CA ARG A 41 31.337 23.656 -3.331 1.00 31.35 C ATOM 636 C ARG A 41 31.001 22.169 -3.404 1.00 50.13 C ATOM 637 O ARG A 41 31.836 21.352 -3.791 1.00 44.15 O ATOM 638 CB ARG A 41 32.126 23.948 -2.053 1.00 13.41 C ATOM 639 CG ARG A 41 33.285 24.910 -2.259 1.00 74.14 C ATOM 640 CD ARG A 41 33.597 25.686 -0.990 1.00 4.22 C ATOM 641 NE ARG A 41 34.375 26.892 -1.263 1.00 31.11 N ATOM 642 CZ ARG A 41 34.568 27.859 -0.373 1.00 54.44 C ATOM 643 NH1 ARG A 41 34.042 27.763 0.840 1.00 23.12 N ATOM 644 NH2 ARG A 41 35.287 28.926 -0.697 1.00 4.11 N ATOM 0 H ARG A 41 29.875 24.899 -2.485 1.00 30.12 H new ATOM 0 HA ARG A 41 31.948 23.917 -4.195 1.00 31.35 H new ATOM 0 HB2 ARG A 41 31.450 24.362 -1.305 1.00 13.41 H new ATOM 0 HB3 ARG A 41 32.510 23.010 -1.651 1.00 13.41 H new ATOM 0 HG2 ARG A 41 34.169 24.355 -2.574 1.00 74.14 H new ATOM 0 HG3 ARG A 41 33.043 25.606 -3.062 1.00 74.14 H new ATOM 0 HD2 ARG A 41 32.666 25.960 -0.494 1.00 4.22 H new ATOM 0 HD3 ARG A 41 34.149 25.047 -0.301 1.00 4.22 H new ATOM 0 HE ARG A 41 34.793 26.997 -2.188 1.00 31.11 H new ATOM 0 HH11 ARG A 41 33.487 26.945 1.092 1.00 23.12 H new ATOM 0 HH12 ARG A 41 34.192 28.507 1.521 1.00 23.12 H new ATOM 0 HH21 ARG A 41 35.692 29.004 -1.630 1.00 4.11 H new ATOM 0 HH22 ARG A 41 35.435 29.668 -0.013 1.00 4.11 H new ATOM 658 N SER A 42 29.773 21.826 -3.030 1.00 34.12 N ATOM 659 CA SER A 42 29.327 20.437 -3.049 1.00 44.53 C ATOM 660 C SER A 42 28.340 20.200 -4.188 1.00 32.43 C ATOM 661 O SER A 42 28.156 21.054 -5.055 1.00 13.02 O ATOM 662 CB SER A 42 28.681 20.068 -1.713 1.00 1.22 C ATOM 663 OG SER A 42 28.981 18.731 -1.353 1.00 62.34 O ATOM 0 H SER A 42 29.069 22.491 -2.710 1.00 34.12 H new ATOM 0 HA SER A 42 30.199 19.803 -3.209 1.00 44.53 H new ATOM 0 HB2 SER A 42 29.034 20.745 -0.935 1.00 1.22 H new ATOM 0 HB3 SER A 42 27.601 20.196 -1.780 1.00 1.22 H new ATOM 0 HG SER A 42 28.558 18.521 -0.494 1.00 62.34 H new ATOM 669 N LYS A 43 27.706 19.032 -4.178 1.00 63.33 N ATOM 670 CA LYS A 43 26.736 18.679 -5.208 1.00 31.12 C ATOM 671 C LYS A 43 27.408 18.563 -6.572 1.00 51.33 C ATOM 672 O LYS A 43 26.737 18.534 -7.603 1.00 62.14 O ATOM 673 CB LYS A 43 25.619 19.724 -5.265 1.00 21.35 C ATOM 674 CG LYS A 43 24.224 19.128 -5.179 1.00 43.34 C ATOM 675 CD LYS A 43 23.240 20.101 -4.552 1.00 40.21 C ATOM 676 CE LYS A 43 23.112 21.373 -5.376 1.00 2.52 C ATOM 677 NZ LYS A 43 23.737 22.541 -4.694 1.00 71.20 N ATOM 0 H LYS A 43 27.847 18.314 -3.468 1.00 63.33 H new ATOM 0 HA LYS A 43 26.307 17.711 -4.951 1.00 31.12 H new ATOM 0 HB2 LYS A 43 25.753 20.432 -4.448 1.00 21.35 H new ATOM 0 HB3 LYS A 43 25.708 20.288 -6.193 1.00 21.35 H new ATOM 0 HG2 LYS A 43 23.882 18.855 -6.177 1.00 43.34 H new ATOM 0 HG3 LYS A 43 24.255 18.211 -4.591 1.00 43.34 H new ATOM 0 HD2 LYS A 43 22.264 19.625 -4.462 1.00 40.21 H new ATOM 0 HD3 LYS A 43 23.567 20.351 -3.543 1.00 40.21 H new ATOM 0 HE2 LYS A 43 23.583 21.225 -6.348 1.00 2.52 H new ATOM 0 HE3 LYS A 43 22.058 21.581 -5.561 1.00 2.52 H new ATOM 0 HZ1 LYS A 43 23.527 23.408 -5.228 1.00 71.20 H new ATOM 0 HZ2 LYS A 43 23.354 22.626 -3.731 1.00 71.20 H new ATOM 0 HZ3 LYS A 43 24.767 22.405 -4.647 1.00 71.20 H new ATOM 691 N GLU A 44 28.736 18.497 -6.569 1.00 74.43 N ATOM 692 CA GLU A 44 29.497 18.383 -7.808 1.00 11.32 C ATOM 693 C GLU A 44 29.576 16.930 -8.267 1.00 3.13 C ATOM 694 O GLU A 44 29.401 16.631 -9.448 1.00 74.12 O ATOM 695 CB GLU A 44 30.906 18.948 -7.620 1.00 25.14 C ATOM 696 CG GLU A 44 30.926 20.366 -7.075 1.00 44.33 C ATOM 697 CD GLU A 44 31.453 21.370 -8.082 1.00 40.32 C ATOM 698 OE1 GLU A 44 32.629 21.771 -7.959 1.00 45.44 O ATOM 699 OE2 GLU A 44 30.690 21.755 -8.992 1.00 55.12 O ATOM 0 H GLU A 44 29.306 18.520 -5.724 1.00 74.43 H new ATOM 0 HA GLU A 44 28.981 18.960 -8.576 1.00 11.32 H new ATOM 0 HB2 GLU A 44 31.461 18.299 -6.942 1.00 25.14 H new ATOM 0 HB3 GLU A 44 31.427 18.928 -8.577 1.00 25.14 H new ATOM 0 HG2 GLU A 44 29.917 20.651 -6.777 1.00 44.33 H new ATOM 0 HG3 GLU A 44 31.544 20.398 -6.178 1.00 44.33 H new ATOM 706 N ILE A 45 29.843 16.032 -7.324 1.00 54.13 N ATOM 707 CA ILE A 45 29.945 14.611 -7.631 1.00 72.22 C ATOM 708 C ILE A 45 28.593 14.039 -8.045 1.00 10.05 C ATOM 709 O ILE A 45 28.509 12.923 -8.557 1.00 72.23 O ATOM 710 CB ILE A 45 30.481 13.812 -6.428 1.00 42.34 C ATOM 711 CG1 ILE A 45 29.582 14.021 -5.208 1.00 3.30 C ATOM 712 CG2 ILE A 45 31.912 14.223 -6.116 1.00 3.24 C ATOM 713 CD1 ILE A 45 28.417 13.059 -5.144 1.00 51.11 C ATOM 0 H ILE A 45 29.992 16.264 -6.342 1.00 54.13 H new ATOM 0 HA ILE A 45 30.646 14.517 -8.461 1.00 72.22 H new ATOM 0 HB ILE A 45 30.475 12.752 -6.682 1.00 42.34 H new ATOM 0 HG12 ILE A 45 30.181 13.915 -4.303 1.00 3.30 H new ATOM 0 HG13 ILE A 45 29.200 15.042 -5.219 1.00 3.30 H new ATOM 0 HG21 ILE A 45 32.277 13.650 -5.264 1.00 3.24 H new ATOM 0 HG22 ILE A 45 32.544 14.028 -6.982 1.00 3.24 H new ATOM 0 HG23 ILE A 45 31.941 15.286 -5.878 1.00 3.24 H new ATOM 0 HD11 ILE A 45 27.823 13.266 -4.254 1.00 51.11 H new ATOM 0 HD12 ILE A 45 27.795 13.181 -6.031 1.00 51.11 H new ATOM 0 HD13 ILE A 45 28.792 12.036 -5.101 1.00 51.11 H new ATOM 725 N LYS A 46 27.536 14.812 -7.820 1.00 0.23 N ATOM 726 CA LYS A 46 26.187 14.386 -8.171 1.00 72.41 C ATOM 727 C LYS A 46 26.151 13.796 -9.577 1.00 44.25 C ATOM 728 O LYS A 46 25.514 12.770 -9.814 1.00 2.51 O ATOM 729 CB LYS A 46 25.216 15.565 -8.076 1.00 70.23 C ATOM 730 CG LYS A 46 24.894 15.974 -6.650 1.00 11.34 C ATOM 731 CD LYS A 46 24.031 14.936 -5.953 1.00 21.34 C ATOM 732 CE LYS A 46 24.265 14.934 -4.450 1.00 2.43 C ATOM 733 NZ LYS A 46 24.877 13.659 -3.985 1.00 33.42 N ATOM 0 H LYS A 46 27.588 15.738 -7.396 1.00 0.23 H new ATOM 0 HA LYS A 46 25.882 13.614 -7.464 1.00 72.41 H new ATOM 0 HB2 LYS A 46 25.642 16.419 -8.603 1.00 70.23 H new ATOM 0 HB3 LYS A 46 24.290 15.304 -8.588 1.00 70.23 H new ATOM 0 HG2 LYS A 46 25.820 16.112 -6.092 1.00 11.34 H new ATOM 0 HG3 LYS A 46 24.378 16.934 -6.654 1.00 11.34 H new ATOM 0 HD2 LYS A 46 22.980 15.138 -6.158 1.00 21.34 H new ATOM 0 HD3 LYS A 46 24.250 13.948 -6.358 1.00 21.34 H new ATOM 0 HE2 LYS A 46 24.915 15.767 -4.183 1.00 2.43 H new ATOM 0 HE3 LYS A 46 23.317 15.091 -3.935 1.00 2.43 H new ATOM 0 HZ1 LYS A 46 25.191 13.764 -2.999 1.00 33.42 H new ATOM 0 HZ2 LYS A 46 24.175 12.894 -4.045 1.00 33.42 H new ATOM 0 HZ3 LYS A 46 25.694 13.427 -4.585 1.00 33.42 H new ATOM 747 N GLU A 47 26.841 14.451 -10.506 1.00 42.13 N ATOM 748 CA GLU A 47 26.888 13.990 -11.889 1.00 21.01 C ATOM 749 C GLU A 47 27.226 12.503 -11.955 1.00 55.35 C ATOM 750 O GLU A 47 26.630 11.753 -12.729 1.00 50.44 O ATOM 751 CB GLU A 47 27.919 14.794 -12.683 1.00 42.34 C ATOM 752 CG GLU A 47 27.882 14.524 -14.178 1.00 72.31 C ATOM 753 CD GLU A 47 29.111 13.783 -14.668 1.00 1.32 C ATOM 754 OE1 GLU A 47 29.141 12.541 -14.548 1.00 25.55 O ATOM 755 OE2 GLU A 47 30.042 14.446 -15.171 1.00 23.22 O ATOM 0 H GLU A 47 27.375 15.302 -10.326 1.00 42.13 H new ATOM 0 HA GLU A 47 25.903 14.141 -12.330 1.00 21.01 H new ATOM 0 HB2 GLU A 47 27.750 15.857 -12.510 1.00 42.34 H new ATOM 0 HB3 GLU A 47 28.915 14.564 -12.305 1.00 42.34 H new ATOM 0 HG2 GLU A 47 26.992 13.941 -14.416 1.00 72.31 H new ATOM 0 HG3 GLU A 47 27.796 15.470 -14.712 1.00 72.31 H new ATOM 762 N LYS A 48 28.186 12.084 -11.139 1.00 31.52 N ATOM 763 CA LYS A 48 28.604 10.687 -11.103 1.00 1.24 C ATOM 764 C LYS A 48 27.407 9.766 -10.893 1.00 34.11 C ATOM 765 O LYS A 48 27.271 8.744 -11.567 1.00 61.11 O ATOM 766 CB LYS A 48 29.630 10.469 -9.988 1.00 51.30 C ATOM 767 CG LYS A 48 30.813 11.420 -10.056 1.00 34.14 C ATOM 768 CD LYS A 48 32.108 10.679 -10.343 1.00 53.01 C ATOM 769 CE LYS A 48 32.334 10.512 -11.838 1.00 22.42 C ATOM 770 NZ LYS A 48 32.992 9.214 -12.157 1.00 43.52 N ATOM 0 H LYS A 48 28.690 12.692 -10.493 1.00 31.52 H new ATOM 0 HA LYS A 48 29.062 10.446 -12.062 1.00 1.24 H new ATOM 0 HB2 LYS A 48 29.136 10.585 -9.023 1.00 51.30 H new ATOM 0 HB3 LYS A 48 29.996 9.443 -10.037 1.00 51.30 H new ATOM 0 HG2 LYS A 48 30.639 12.164 -10.833 1.00 34.14 H new ATOM 0 HG3 LYS A 48 30.902 11.959 -9.113 1.00 34.14 H new ATOM 0 HD2 LYS A 48 32.945 11.224 -9.906 1.00 53.01 H new ATOM 0 HD3 LYS A 48 32.081 9.699 -9.866 1.00 53.01 H new ATOM 0 HE2 LYS A 48 31.378 10.573 -12.359 1.00 22.42 H new ATOM 0 HE3 LYS A 48 32.950 11.332 -12.206 1.00 22.42 H new ATOM 0 HZ1 LYS A 48 33.129 9.138 -13.185 1.00 43.52 H new ATOM 0 HZ2 LYS A 48 33.915 9.166 -11.680 1.00 43.52 H new ATOM 0 HZ3 LYS A 48 32.392 8.431 -11.829 1.00 43.52 H new ATOM 784 N LEU A 49 26.540 10.134 -9.956 1.00 53.01 N ATOM 785 CA LEU A 49 25.352 9.341 -9.659 1.00 12.12 C ATOM 786 C LEU A 49 24.325 9.458 -10.780 1.00 75.23 C ATOM 787 O LEU A 49 23.582 8.516 -11.058 1.00 21.43 O ATOM 788 CB LEU A 49 24.732 9.792 -8.335 1.00 31.30 C ATOM 789 CG LEU A 49 23.647 8.882 -7.758 1.00 32.11 C ATOM 790 CD1 LEU A 49 24.244 7.557 -7.309 1.00 51.21 C ATOM 791 CD2 LEU A 49 22.936 9.568 -6.601 1.00 33.14 C ATOM 0 H LEU A 49 26.637 10.976 -9.389 1.00 53.01 H new ATOM 0 HA LEU A 49 25.654 8.297 -9.575 1.00 12.12 H new ATOM 0 HB2 LEU A 49 25.529 9.887 -7.597 1.00 31.30 H new ATOM 0 HB3 LEU A 49 24.308 10.786 -8.475 1.00 31.30 H new ATOM 0 HG LEU A 49 22.915 8.680 -8.540 1.00 32.11 H new ATOM 0 HD11 LEU A 49 23.457 6.923 -6.901 1.00 51.21 H new ATOM 0 HD12 LEU A 49 24.706 7.059 -8.161 1.00 51.21 H new ATOM 0 HD13 LEU A 49 24.997 7.739 -6.542 1.00 51.21 H new ATOM 0 HD21 LEU A 49 22.167 8.906 -6.203 1.00 33.14 H new ATOM 0 HD22 LEU A 49 23.657 9.800 -5.817 1.00 33.14 H new ATOM 0 HD23 LEU A 49 22.474 10.490 -6.953 1.00 33.14 H new ATOM 803 N LYS A 50 24.289 10.620 -11.424 1.00 74.51 N ATOM 804 CA LYS A 50 23.355 10.860 -12.518 1.00 64.14 C ATOM 805 C LYS A 50 23.662 9.951 -13.704 1.00 41.04 C ATOM 806 O LYS A 50 22.758 9.372 -14.307 1.00 14.15 O ATOM 807 CB LYS A 50 23.417 12.325 -12.956 1.00 12.12 C ATOM 808 CG LYS A 50 22.242 13.155 -12.468 1.00 1.22 C ATOM 809 CD LYS A 50 22.166 13.175 -10.950 1.00 53.34 C ATOM 810 CE LYS A 50 21.152 14.196 -10.457 1.00 34.12 C ATOM 811 NZ LYS A 50 21.808 15.341 -9.768 1.00 12.50 N ATOM 0 H LYS A 50 24.896 11.410 -11.207 1.00 74.51 H new ATOM 0 HA LYS A 50 22.350 10.636 -12.161 1.00 64.14 H new ATOM 0 HB2 LYS A 50 24.342 12.767 -12.586 1.00 12.12 H new ATOM 0 HB3 LYS A 50 23.455 12.369 -14.044 1.00 12.12 H new ATOM 0 HG2 LYS A 50 22.335 14.175 -12.842 1.00 1.22 H new ATOM 0 HG3 LYS A 50 21.315 12.750 -12.874 1.00 1.22 H new ATOM 0 HD2 LYS A 50 21.894 12.185 -10.585 1.00 53.34 H new ATOM 0 HD3 LYS A 50 23.148 13.408 -10.538 1.00 53.34 H new ATOM 0 HE2 LYS A 50 20.569 14.566 -11.301 1.00 34.12 H new ATOM 0 HE3 LYS A 50 20.453 13.713 -9.774 1.00 34.12 H new ATOM 0 HZ1 LYS A 50 21.116 16.105 -9.628 1.00 12.50 H new ATOM 0 HZ2 LYS A 50 22.171 15.029 -8.845 1.00 12.50 H new ATOM 0 HZ3 LYS A 50 22.596 15.690 -10.349 1.00 12.50 H new ATOM 825 N LYS A 51 24.943 9.829 -14.035 1.00 23.24 N ATOM 826 CA LYS A 51 25.370 8.988 -15.147 1.00 5.33 C ATOM 827 C LYS A 51 25.086 7.518 -14.858 1.00 73.20 C ATOM 828 O LYS A 51 24.782 6.744 -15.767 1.00 20.33 O ATOM 829 CB LYS A 51 26.864 9.186 -15.418 1.00 34.20 C ATOM 830 CG LYS A 51 27.160 10.304 -16.402 1.00 42.02 C ATOM 831 CD LYS A 51 28.609 10.273 -16.861 1.00 15.50 C ATOM 832 CE LYS A 51 28.790 11.005 -18.182 1.00 62.32 C ATOM 833 NZ LYS A 51 29.077 10.065 -19.301 1.00 52.04 N ATOM 0 H LYS A 51 25.704 10.302 -13.548 1.00 23.24 H new ATOM 0 HA LYS A 51 24.804 9.282 -16.031 1.00 5.33 H new ATOM 0 HB2 LYS A 51 27.371 9.398 -14.476 1.00 34.20 H new ATOM 0 HB3 LYS A 51 27.282 8.255 -15.802 1.00 34.20 H new ATOM 0 HG2 LYS A 51 26.502 10.214 -17.266 1.00 42.02 H new ATOM 0 HG3 LYS A 51 26.945 11.266 -15.937 1.00 42.02 H new ATOM 0 HD2 LYS A 51 29.243 10.730 -16.101 1.00 15.50 H new ATOM 0 HD3 LYS A 51 28.936 9.239 -16.969 1.00 15.50 H new ATOM 0 HE2 LYS A 51 27.889 11.575 -18.408 1.00 62.32 H new ATOM 0 HE3 LYS A 51 29.606 11.722 -18.091 1.00 62.32 H new ATOM 0 HZ1 LYS A 51 29.194 10.602 -20.184 1.00 52.04 H new ATOM 0 HZ2 LYS A 51 29.951 9.539 -19.097 1.00 52.04 H new ATOM 0 HZ3 LYS A 51 28.287 9.397 -19.404 1.00 52.04 H new ATOM 847 N LEU A 52 25.184 7.139 -13.589 1.00 1.14 N ATOM 848 CA LEU A 52 24.935 5.761 -13.180 1.00 23.02 C ATOM 849 C LEU A 52 23.570 5.287 -13.667 1.00 32.44 C ATOM 850 O LEU A 52 23.350 4.092 -13.862 1.00 64.34 O ATOM 851 CB LEU A 52 25.018 5.637 -11.657 1.00 50.04 C ATOM 852 CG LEU A 52 24.677 4.264 -11.076 1.00 43.32 C ATOM 853 CD1 LEU A 52 25.638 3.907 -9.953 1.00 13.15 C ATOM 854 CD2 LEU A 52 23.239 4.237 -10.580 1.00 10.41 C ATOM 0 H LEU A 52 25.434 7.767 -12.825 1.00 1.14 H new ATOM 0 HA LEU A 52 25.700 5.130 -13.632 1.00 23.02 H new ATOM 0 HB2 LEU A 52 26.029 5.900 -11.346 1.00 50.04 H new ATOM 0 HB3 LEU A 52 24.346 6.373 -11.215 1.00 50.04 H new ATOM 0 HG LEU A 52 24.781 3.520 -11.866 1.00 43.32 H new ATOM 0 HD11 LEU A 52 25.380 2.927 -9.551 1.00 13.15 H new ATOM 0 HD12 LEU A 52 26.657 3.884 -10.339 1.00 13.15 H new ATOM 0 HD13 LEU A 52 25.567 4.653 -9.162 1.00 13.15 H new ATOM 0 HD21 LEU A 52 23.014 3.252 -10.170 1.00 10.41 H new ATOM 0 HD22 LEU A 52 23.107 4.992 -9.805 1.00 10.41 H new ATOM 0 HD23 LEU A 52 22.564 4.447 -11.410 1.00 10.41 H new ATOM 866 N ALA A 53 22.656 6.232 -13.862 1.00 60.41 N ATOM 867 CA ALA A 53 21.313 5.911 -14.330 1.00 65.23 C ATOM 868 C ALA A 53 21.362 5.060 -15.595 1.00 12.01 C ATOM 869 O ALA A 53 20.449 4.279 -15.863 1.00 44.22 O ATOM 870 CB ALA A 53 20.523 7.187 -14.580 1.00 73.50 C ATOM 0 H ALA A 53 22.821 7.226 -13.703 1.00 60.41 H new ATOM 0 HA ALA A 53 20.812 5.333 -13.554 1.00 65.23 H new ATOM 0 HB1 ALA A 53 19.522 6.933 -14.929 1.00 73.50 H new ATOM 0 HB2 ALA A 53 20.450 7.757 -13.654 1.00 73.50 H new ATOM 0 HB3 ALA A 53 21.030 7.786 -15.336 1.00 73.50 H new ATOM 876 N GLU A 54 22.432 5.218 -16.368 1.00 75.33 N ATOM 877 CA GLU A 54 22.596 4.464 -17.606 1.00 5.13 C ATOM 878 C GLU A 54 23.007 3.024 -17.315 1.00 25.42 C ATOM 879 O GLU A 54 22.613 2.100 -18.026 1.00 22.24 O ATOM 880 CB GLU A 54 23.641 5.133 -18.501 1.00 4.20 C ATOM 881 CG GLU A 54 23.903 4.383 -19.796 1.00 51.44 C ATOM 882 CD GLU A 54 25.192 3.586 -19.759 1.00 21.12 C ATOM 883 OE1 GLU A 54 25.153 2.381 -20.084 1.00 32.54 O ATOM 884 OE2 GLU A 54 26.239 4.166 -19.405 1.00 4.23 O ATOM 0 H GLU A 54 23.197 5.860 -16.160 1.00 75.33 H new ATOM 0 HA GLU A 54 21.637 4.452 -18.125 1.00 5.13 H new ATOM 0 HB2 GLU A 54 23.311 6.145 -18.737 1.00 4.20 H new ATOM 0 HB3 GLU A 54 24.576 5.224 -17.948 1.00 4.20 H new ATOM 0 HG2 GLU A 54 23.070 3.710 -19.996 1.00 51.44 H new ATOM 0 HG3 GLU A 54 23.944 5.094 -20.621 1.00 51.44 H new ATOM 891 N GLU A 55 23.803 2.842 -16.265 1.00 74.40 N ATOM 892 CA GLU A 55 24.268 1.514 -15.881 1.00 41.22 C ATOM 893 C GLU A 55 23.099 0.628 -15.460 1.00 41.31 C ATOM 894 O GLU A 55 23.038 -0.549 -15.816 1.00 52.32 O ATOM 895 CB GLU A 55 25.282 1.615 -14.740 1.00 44.30 C ATOM 896 CG GLU A 55 25.289 0.404 -13.823 1.00 4.13 C ATOM 897 CD GLU A 55 25.519 -0.894 -14.572 1.00 42.01 C ATOM 898 OE1 GLU A 55 26.230 -0.868 -15.599 1.00 0.33 O ATOM 899 OE2 GLU A 55 24.989 -1.935 -14.133 1.00 34.43 O ATOM 0 H GLU A 55 24.139 3.596 -15.666 1.00 74.40 H new ATOM 0 HA GLU A 55 24.750 1.062 -16.748 1.00 41.22 H new ATOM 0 HB2 GLU A 55 26.279 1.747 -15.161 1.00 44.30 H new ATOM 0 HB3 GLU A 55 25.065 2.506 -14.150 1.00 44.30 H new ATOM 0 HG2 GLU A 55 26.068 0.528 -13.070 1.00 4.13 H new ATOM 0 HG3 GLU A 55 24.338 0.349 -13.292 1.00 4.13 H new ATOM 906 N PHE A 56 22.173 1.203 -14.699 1.00 63.42 N ATOM 907 CA PHE A 56 21.007 0.466 -14.228 1.00 35.14 C ATOM 908 C PHE A 56 19.883 1.421 -13.833 1.00 65.40 C ATOM 909 O PHE A 56 19.664 1.708 -12.656 1.00 54.22 O ATOM 910 CB PHE A 56 21.382 -0.418 -13.036 1.00 41.33 C ATOM 911 CG PHE A 56 20.404 -1.529 -12.783 1.00 23.24 C ATOM 912 CD1 PHE A 56 19.952 -2.323 -13.824 1.00 62.31 C ATOM 913 CD2 PHE A 56 19.937 -1.780 -11.502 1.00 51.44 C ATOM 914 CE1 PHE A 56 19.053 -3.347 -13.594 1.00 33.20 C ATOM 915 CE2 PHE A 56 19.038 -2.802 -11.266 1.00 73.32 C ATOM 916 CZ PHE A 56 18.594 -3.586 -12.313 1.00 61.34 C ATOM 0 H PHE A 56 22.208 2.176 -14.396 1.00 63.42 H new ATOM 0 HA PHE A 56 20.655 -0.166 -15.043 1.00 35.14 H new ATOM 0 HB2 PHE A 56 22.370 -0.846 -13.208 1.00 41.33 H new ATOM 0 HB3 PHE A 56 21.454 0.202 -12.143 1.00 41.33 H new ATOM 0 HD1 PHE A 56 20.306 -2.140 -14.828 1.00 62.31 H new ATOM 0 HD2 PHE A 56 20.280 -1.170 -10.679 1.00 51.44 H new ATOM 0 HE1 PHE A 56 18.710 -3.960 -14.415 1.00 33.20 H new ATOM 0 HE2 PHE A 56 18.682 -2.988 -10.263 1.00 73.32 H new ATOM 0 HZ PHE A 56 17.890 -4.384 -12.131 1.00 61.34 H new ATOM 926 N PRO A 57 19.155 1.925 -14.840 1.00 42.01 N ATOM 927 CA PRO A 57 18.043 2.855 -14.624 1.00 73.12 C ATOM 928 C PRO A 57 16.844 2.182 -13.965 1.00 21.44 C ATOM 929 O PRO A 57 15.882 2.846 -13.578 1.00 60.42 O ATOM 930 CB PRO A 57 17.685 3.315 -16.040 1.00 5.33 C ATOM 931 CG PRO A 57 18.140 2.206 -16.925 1.00 10.53 C ATOM 932 CD PRO A 57 19.361 1.626 -16.267 1.00 63.12 C ATOM 0 HA PRO A 57 18.317 3.669 -13.953 1.00 73.12 H new ATOM 0 HB2 PRO A 57 16.614 3.488 -16.141 1.00 5.33 H new ATOM 0 HB3 PRO A 57 18.184 4.251 -16.290 1.00 5.33 H new ATOM 0 HG2 PRO A 57 17.361 1.451 -17.037 1.00 10.53 H new ATOM 0 HG3 PRO A 57 18.373 2.574 -17.924 1.00 10.53 H new ATOM 0 HD2 PRO A 57 19.442 0.554 -16.445 1.00 63.12 H new ATOM 0 HD3 PRO A 57 20.276 2.082 -16.645 1.00 63.12 H new ATOM 940 N ASP A 58 16.909 0.861 -13.839 1.00 33.24 N ATOM 941 CA ASP A 58 15.829 0.098 -13.224 1.00 32.41 C ATOM 942 C ASP A 58 15.583 0.561 -11.792 1.00 15.44 C ATOM 943 O ASP A 58 14.504 0.351 -11.237 1.00 20.05 O ATOM 944 CB ASP A 58 16.158 -1.396 -13.240 1.00 73.01 C ATOM 945 CG ASP A 58 15.633 -2.118 -12.015 1.00 12.24 C ATOM 946 OD1 ASP A 58 14.585 -2.789 -12.124 1.00 41.12 O ATOM 947 OD2 ASP A 58 16.270 -2.012 -10.946 1.00 61.20 O ATOM 0 H ASP A 58 17.698 0.297 -14.154 1.00 33.24 H new ATOM 0 HA ASP A 58 14.922 0.269 -13.803 1.00 32.41 H new ATOM 0 HB2 ASP A 58 15.732 -1.849 -14.135 1.00 73.01 H new ATOM 0 HB3 ASP A 58 17.239 -1.526 -13.300 1.00 73.01 H new ATOM 952 N VAL A 59 16.590 1.193 -11.198 1.00 24.22 N ATOM 953 CA VAL A 59 16.484 1.687 -9.830 1.00 74.51 C ATOM 954 C VAL A 59 15.902 3.095 -9.798 1.00 40.42 C ATOM 955 O VAL A 59 16.068 3.868 -10.742 1.00 52.03 O ATOM 956 CB VAL A 59 17.854 1.693 -9.127 1.00 30.40 C ATOM 957 CG1 VAL A 59 17.692 1.991 -7.644 1.00 43.23 C ATOM 958 CG2 VAL A 59 18.566 0.365 -9.337 1.00 61.13 C ATOM 0 H VAL A 59 17.489 1.375 -11.643 1.00 24.22 H new ATOM 0 HA VAL A 59 15.816 1.009 -9.300 1.00 74.51 H new ATOM 0 HB VAL A 59 18.465 2.481 -9.567 1.00 30.40 H new ATOM 0 HG11 VAL A 59 18.671 1.991 -7.164 1.00 43.23 H new ATOM 0 HG12 VAL A 59 17.226 2.968 -7.518 1.00 43.23 H new ATOM 0 HG13 VAL A 59 17.063 1.227 -7.186 1.00 43.23 H new ATOM 0 HG21 VAL A 59 19.533 0.387 -8.834 1.00 61.13 H new ATOM 0 HG22 VAL A 59 17.960 -0.442 -8.925 1.00 61.13 H new ATOM 0 HG23 VAL A 59 18.716 0.197 -10.404 1.00 61.13 H new ATOM 968 N ASP A 60 15.220 3.423 -8.706 1.00 45.42 N ATOM 969 CA ASP A 60 14.615 4.741 -8.550 1.00 31.23 C ATOM 970 C ASP A 60 15.516 5.659 -7.730 1.00 13.13 C ATOM 971 O ASP A 60 15.558 5.568 -6.502 1.00 44.34 O ATOM 972 CB ASP A 60 13.245 4.620 -7.881 1.00 32.42 C ATOM 973 CG ASP A 60 12.716 3.199 -7.897 1.00 62.20 C ATOM 974 OD1 ASP A 60 12.506 2.631 -6.805 1.00 12.15 O ATOM 975 OD2 ASP A 60 12.512 2.655 -9.002 1.00 61.12 O ATOM 0 H ASP A 60 15.072 2.795 -7.916 1.00 45.42 H new ATOM 0 HA ASP A 60 14.490 5.176 -9.542 1.00 31.23 H new ATOM 0 HB2 ASP A 60 13.316 4.967 -6.850 1.00 32.42 H new ATOM 0 HB3 ASP A 60 12.537 5.274 -8.389 1.00 32.42 H new ATOM 980 N ILE A 61 16.234 6.541 -8.416 1.00 3.32 N ATOM 981 CA ILE A 61 17.134 7.476 -7.751 1.00 30.53 C ATOM 982 C ILE A 61 16.484 8.846 -7.593 1.00 4.14 C ATOM 983 O ILE A 61 16.216 9.535 -8.577 1.00 63.13 O ATOM 984 CB ILE A 61 18.456 7.633 -8.526 1.00 33.45 C ATOM 985 CG1 ILE A 61 18.919 6.278 -9.066 1.00 43.41 C ATOM 986 CG2 ILE A 61 19.524 8.246 -7.632 1.00 55.23 C ATOM 987 CD1 ILE A 61 18.629 6.084 -10.538 1.00 22.11 C ATOM 0 H ILE A 61 16.210 6.628 -9.432 1.00 3.32 H new ATOM 0 HA ILE A 61 17.347 7.062 -6.766 1.00 30.53 H new ATOM 0 HB ILE A 61 18.289 8.302 -9.370 1.00 33.45 H new ATOM 0 HG12 ILE A 61 19.991 6.176 -8.899 1.00 43.41 H new ATOM 0 HG13 ILE A 61 18.431 5.484 -8.500 1.00 43.41 H new ATOM 0 HG21 ILE A 61 20.452 8.351 -8.194 1.00 55.23 H new ATOM 0 HG22 ILE A 61 19.194 9.227 -7.291 1.00 55.23 H new ATOM 0 HG23 ILE A 61 19.692 7.600 -6.770 1.00 55.23 H new ATOM 0 HD11 ILE A 61 18.984 5.103 -10.853 1.00 22.11 H new ATOM 0 HD12 ILE A 61 17.555 6.153 -10.709 1.00 22.11 H new ATOM 0 HD13 ILE A 61 19.139 6.856 -11.114 1.00 22.11 H new ATOM 999 N TYR A 62 16.236 9.236 -6.348 1.00 13.54 N ATOM 1000 CA TYR A 62 15.617 10.525 -6.060 1.00 10.02 C ATOM 1001 C TYR A 62 16.368 11.254 -4.950 1.00 1.20 C ATOM 1002 O TYR A 62 16.917 10.630 -4.041 1.00 34.22 O ATOM 1003 CB TYR A 62 14.153 10.334 -5.660 1.00 21.55 C ATOM 1004 CG TYR A 62 13.971 9.877 -4.230 1.00 21.04 C ATOM 1005 CD1 TYR A 62 14.416 8.627 -3.817 1.00 75.31 C ATOM 1006 CD2 TYR A 62 13.354 10.695 -3.291 1.00 50.05 C ATOM 1007 CE1 TYR A 62 14.251 8.205 -2.512 1.00 32.10 C ATOM 1008 CE2 TYR A 62 13.186 10.282 -1.984 1.00 4.21 C ATOM 1009 CZ TYR A 62 13.636 9.036 -1.599 1.00 42.31 C ATOM 1010 OH TYR A 62 13.470 8.621 -0.298 1.00 32.22 O ATOM 0 H TYR A 62 16.454 8.679 -5.522 1.00 13.54 H new ATOM 0 HA TYR A 62 15.663 11.131 -6.965 1.00 10.02 H new ATOM 0 HB2 TYR A 62 13.620 11.274 -5.803 1.00 21.55 H new ATOM 0 HB3 TYR A 62 13.695 9.604 -6.327 1.00 21.55 H new ATOM 0 HD1 TYR A 62 14.899 7.974 -4.529 1.00 75.31 H new ATOM 0 HD2 TYR A 62 13.000 11.671 -3.589 1.00 50.05 H new ATOM 0 HE1 TYR A 62 14.602 7.230 -2.208 1.00 32.10 H new ATOM 0 HE2 TYR A 62 12.705 10.931 -1.267 1.00 4.21 H new ATOM 0 HH TYR A 62 13.021 9.325 0.215 1.00 32.22 H new ATOM 1020 N LEU A 63 16.388 12.580 -5.031 1.00 1.03 N ATOM 1021 CA LEU A 63 17.071 13.397 -4.033 1.00 51.15 C ATOM 1022 C LEU A 63 16.070 14.040 -3.079 1.00 2.41 C ATOM 1023 O LEU A 63 14.927 14.307 -3.449 1.00 13.53 O ATOM 1024 CB LEU A 63 17.908 14.479 -4.718 1.00 70.12 C ATOM 1025 CG LEU A 63 19.396 14.171 -4.885 1.00 63.54 C ATOM 1026 CD1 LEU A 63 19.633 13.345 -6.141 1.00 14.04 C ATOM 1027 CD2 LEU A 63 20.206 15.458 -4.931 1.00 51.24 C ATOM 0 H LEU A 63 15.940 13.112 -5.777 1.00 1.03 H new ATOM 0 HA LEU A 63 17.729 12.748 -3.456 1.00 51.15 H new ATOM 0 HB2 LEU A 63 17.484 14.668 -5.704 1.00 70.12 H new ATOM 0 HB3 LEU A 63 17.810 15.402 -4.146 1.00 70.12 H new ATOM 0 HG LEU A 63 19.725 13.589 -4.024 1.00 63.54 H new ATOM 0 HD11 LEU A 63 20.698 13.136 -6.243 1.00 14.04 H new ATOM 0 HD12 LEU A 63 19.084 12.406 -6.068 1.00 14.04 H new ATOM 0 HD13 LEU A 63 19.287 13.901 -7.013 1.00 14.04 H new ATOM 0 HD21 LEU A 63 21.263 15.219 -5.050 1.00 51.24 H new ATOM 0 HD22 LEU A 63 19.875 16.067 -5.772 1.00 51.24 H new ATOM 0 HD23 LEU A 63 20.062 16.012 -4.003 1.00 51.24 H new ATOM 1039 N VAL A 64 16.509 14.289 -1.849 1.00 10.00 N ATOM 1040 CA VAL A 64 15.653 14.904 -0.842 1.00 1.43 C ATOM 1041 C VAL A 64 16.347 16.090 -0.181 1.00 24.24 C ATOM 1042 O VAL A 64 17.539 16.033 0.124 1.00 12.54 O ATOM 1043 CB VAL A 64 15.246 13.891 0.244 1.00 22.13 C ATOM 1044 CG1 VAL A 64 14.344 14.548 1.277 1.00 13.32 C ATOM 1045 CG2 VAL A 64 14.563 12.685 -0.382 1.00 71.24 C ATOM 0 H VAL A 64 17.452 14.074 -1.526 1.00 10.00 H new ATOM 0 HA VAL A 64 14.758 15.251 -1.357 1.00 1.43 H new ATOM 0 HB VAL A 64 16.147 13.547 0.751 1.00 22.13 H new ATOM 0 HG11 VAL A 64 14.067 13.816 2.036 1.00 13.32 H new ATOM 0 HG12 VAL A 64 14.873 15.377 1.748 1.00 13.32 H new ATOM 0 HG13 VAL A 64 13.444 14.923 0.789 1.00 13.32 H new ATOM 0 HG21 VAL A 64 14.282 11.979 0.400 1.00 71.24 H new ATOM 0 HG22 VAL A 64 13.670 13.009 -0.916 1.00 71.24 H new ATOM 0 HG23 VAL A 64 15.247 12.201 -1.079 1.00 71.24 H new ATOM 1055 N ASP A 65 15.594 17.162 0.039 1.00 45.14 N ATOM 1056 CA ASP A 65 16.137 18.362 0.666 1.00 72.14 C ATOM 1057 C ASP A 65 15.911 18.336 2.174 1.00 12.21 C ATOM 1058 O ASP A 65 15.259 17.434 2.700 1.00 31.54 O ATOM 1059 CB ASP A 65 15.496 19.613 0.063 1.00 75.44 C ATOM 1060 CG ASP A 65 13.993 19.479 -0.086 1.00 33.42 C ATOM 1061 OD1 ASP A 65 13.260 20.099 0.713 1.00 34.20 O ATOM 1062 OD2 ASP A 65 13.550 18.754 -1.001 1.00 54.21 O ATOM 0 H ASP A 65 14.606 17.225 -0.207 1.00 45.14 H new ATOM 0 HA ASP A 65 17.210 18.387 0.478 1.00 72.14 H new ATOM 0 HB2 ASP A 65 15.720 20.473 0.694 1.00 75.44 H new ATOM 0 HB3 ASP A 65 15.939 19.810 -0.913 1.00 75.44 H new ATOM 1067 N THR A 66 16.455 19.333 2.866 1.00 32.40 N ATOM 1068 CA THR A 66 16.315 19.423 4.314 1.00 52.41 C ATOM 1069 C THR A 66 14.991 20.073 4.699 1.00 55.15 C ATOM 1070 O THR A 66 14.400 19.739 5.725 1.00 14.25 O ATOM 1071 CB THR A 66 17.469 20.228 4.941 1.00 64.34 C ATOM 1072 OG1 THR A 66 17.858 21.291 4.064 1.00 62.02 O ATOM 1073 CG2 THR A 66 18.666 19.330 5.219 1.00 54.11 C ATOM 0 H THR A 66 16.996 20.089 2.447 1.00 32.40 H new ATOM 0 HA THR A 66 16.342 18.403 4.698 1.00 52.41 H new ATOM 0 HB THR A 66 17.120 20.646 5.885 1.00 64.34 H new ATOM 0 HG1 THR A 66 18.591 21.799 4.471 1.00 62.02 H new ATOM 0 HG21 THR A 66 19.469 19.920 5.662 1.00 54.11 H new ATOM 0 HG22 THR A 66 18.374 18.538 5.909 1.00 54.11 H new ATOM 0 HG23 THR A 66 19.013 18.887 4.285 1.00 54.11 H new ATOM 1081 N SER A 67 14.529 21.002 3.868 1.00 41.24 N ATOM 1082 CA SER A 67 13.275 21.701 4.123 1.00 41.31 C ATOM 1083 C SER A 67 12.092 20.742 4.040 1.00 33.21 C ATOM 1084 O SER A 67 11.039 20.982 4.632 1.00 12.30 O ATOM 1085 CB SER A 67 13.091 22.844 3.122 1.00 32.14 C ATOM 1086 OG SER A 67 12.882 24.077 3.789 1.00 31.21 O ATOM 0 H SER A 67 15.005 21.288 3.012 1.00 41.24 H new ATOM 0 HA SER A 67 13.316 22.113 5.131 1.00 41.31 H new ATOM 0 HB2 SER A 67 13.971 22.917 2.483 1.00 32.14 H new ATOM 0 HB3 SER A 67 12.242 22.630 2.472 1.00 32.14 H new ATOM 0 HG SER A 67 12.769 24.792 3.128 1.00 31.21 H new ATOM 1092 N THR A 68 12.272 19.652 3.300 1.00 21.15 N ATOM 1093 CA THR A 68 11.221 18.656 3.138 1.00 73.21 C ATOM 1094 C THR A 68 11.159 17.720 4.340 1.00 41.31 C ATOM 1095 O THR A 68 10.155 17.044 4.561 1.00 44.20 O ATOM 1096 CB THR A 68 11.431 17.820 1.861 1.00 23.14 C ATOM 1097 OG1 THR A 68 12.830 17.608 1.640 1.00 40.14 O ATOM 1098 CG2 THR A 68 10.820 18.514 0.653 1.00 25.22 C ATOM 0 H THR A 68 13.137 19.437 2.803 1.00 21.15 H new ATOM 0 HA THR A 68 10.280 19.201 3.057 1.00 73.21 H new ATOM 0 HB THR A 68 10.935 16.859 1.996 1.00 23.14 H new ATOM 0 HG1 THR A 68 13.282 17.486 2.501 1.00 40.14 H new ATOM 0 HG21 THR A 68 10.981 17.905 -0.237 1.00 25.22 H new ATOM 0 HG22 THR A 68 9.750 18.648 0.813 1.00 25.22 H new ATOM 0 HG23 THR A 68 11.291 19.488 0.516 1.00 25.22 H new ATOM 1106 N ASN A 69 12.239 17.687 5.114 1.00 12.21 N ATOM 1107 CA ASN A 69 12.307 16.834 6.295 1.00 72.21 C ATOM 1108 C ASN A 69 13.445 17.267 7.214 1.00 34.13 C ATOM 1109 O ASN A 69 14.460 16.584 7.350 1.00 3.50 O ATOM 1110 CB ASN A 69 12.497 15.372 5.883 1.00 12.53 C ATOM 1111 CG ASN A 69 13.754 15.162 5.062 1.00 51.15 C ATOM 1112 OD1 ASN A 69 14.500 16.104 4.796 1.00 4.33 O ATOM 1113 ND2 ASN A 69 13.993 13.921 4.654 1.00 42.11 N ATOM 0 H ASN A 69 13.079 18.241 4.945 1.00 12.21 H new ATOM 0 HA ASN A 69 11.367 16.933 6.839 1.00 72.21 H new ATOM 0 HB2 ASN A 69 12.541 14.748 6.776 1.00 12.53 H new ATOM 0 HB3 ASN A 69 11.631 15.044 5.308 1.00 12.53 H new ATOM 0 HD21 ASN A 69 14.823 13.718 4.097 1.00 42.11 H new ATOM 0 HD22 ASN A 69 13.347 13.171 4.898 1.00 42.11 H new ATOM 1120 N PRO A 70 13.272 18.429 7.862 1.00 22.43 N ATOM 1121 CA PRO A 70 14.273 18.979 8.781 1.00 22.32 C ATOM 1122 C PRO A 70 14.389 18.166 10.066 1.00 13.34 C ATOM 1123 O PRO A 70 15.425 18.183 10.730 1.00 34.22 O ATOM 1124 CB PRO A 70 13.745 20.383 9.082 1.00 15.31 C ATOM 1125 CG PRO A 70 12.275 20.291 8.859 1.00 74.25 C ATOM 1126 CD PRO A 70 12.087 19.294 7.748 1.00 15.41 C ATOM 0 HA PRO A 70 15.273 18.969 8.348 1.00 22.32 H new ATOM 0 HB2 PRO A 70 13.972 20.680 10.106 1.00 15.31 H new ATOM 0 HB3 PRO A 70 14.199 21.126 8.426 1.00 15.31 H new ATOM 0 HG2 PRO A 70 11.762 19.967 9.765 1.00 74.25 H new ATOM 0 HG3 PRO A 70 11.860 21.261 8.587 1.00 74.25 H new ATOM 0 HD2 PRO A 70 11.163 18.728 7.868 1.00 15.41 H new ATOM 0 HD3 PRO A 70 12.038 19.782 6.774 1.00 15.41 H new ATOM 1134 N GLU A 71 13.319 17.456 10.411 1.00 52.34 N ATOM 1135 CA GLU A 71 13.302 16.638 11.617 1.00 33.14 C ATOM 1136 C GLU A 71 13.907 15.263 11.351 1.00 64.12 C ATOM 1137 O GLU A 71 14.528 14.665 12.230 1.00 53.34 O ATOM 1138 CB GLU A 71 11.871 16.485 12.136 1.00 15.05 C ATOM 1139 CG GLU A 71 11.419 17.633 13.023 1.00 13.30 C ATOM 1140 CD GLU A 71 10.001 17.456 13.530 1.00 32.44 C ATOM 1141 OE1 GLU A 71 9.805 17.480 14.764 1.00 42.33 O ATOM 1142 OE2 GLU A 71 9.087 17.292 12.695 1.00 23.30 O ATOM 0 H GLU A 71 12.453 17.431 9.872 1.00 52.34 H new ATOM 0 HA GLU A 71 13.904 17.141 12.374 1.00 33.14 H new ATOM 0 HB2 GLU A 71 11.192 16.404 11.287 1.00 15.05 H new ATOM 0 HB3 GLU A 71 11.794 15.553 12.695 1.00 15.05 H new ATOM 0 HG2 GLU A 71 12.096 17.719 13.873 1.00 13.30 H new ATOM 0 HG3 GLU A 71 11.487 18.567 12.465 1.00 13.30 H new ATOM 1149 N ALA A 72 13.722 14.767 10.132 1.00 52.43 N ATOM 1150 CA ALA A 72 14.250 13.464 9.748 1.00 4.31 C ATOM 1151 C ALA A 72 15.737 13.358 10.073 1.00 74.55 C ATOM 1152 O ALA A 72 16.198 12.338 10.586 1.00 72.15 O ATOM 1153 CB ALA A 72 14.012 13.214 8.266 1.00 24.54 C ATOM 0 H ALA A 72 13.210 15.249 9.393 1.00 52.43 H new ATOM 0 HA ALA A 72 13.724 12.702 10.322 1.00 4.31 H new ATOM 0 HB1 ALA A 72 14.411 12.237 7.993 1.00 24.54 H new ATOM 0 HB2 ALA A 72 12.942 13.239 8.060 1.00 24.54 H new ATOM 0 HB3 ALA A 72 14.512 13.987 7.682 1.00 24.54 H new ATOM 1159 N ARG A 73 16.481 14.416 9.770 1.00 61.13 N ATOM 1160 CA ARG A 73 17.916 14.440 10.028 1.00 72.24 C ATOM 1161 C ARG A 73 18.204 14.253 11.514 1.00 1.44 C ATOM 1162 O ARG A 73 18.871 13.299 11.912 1.00 63.14 O ATOM 1163 CB ARG A 73 18.521 15.758 9.541 1.00 22.21 C ATOM 1164 CG ARG A 73 19.483 15.593 8.376 1.00 72.13 C ATOM 1165 CD ARG A 73 20.738 16.430 8.567 1.00 62.44 C ATOM 1166 NE ARG A 73 20.426 17.812 8.921 1.00 21.53 N ATOM 1167 CZ ARG A 73 21.290 18.633 9.507 1.00 22.12 C ATOM 1168 NH1 ARG A 73 22.513 18.214 9.802 1.00 30.32 N ATOM 1169 NH2 ARG A 73 20.932 19.877 9.799 1.00 71.23 N ATOM 0 H ARG A 73 16.114 15.268 9.346 1.00 61.13 H new ATOM 0 HA ARG A 73 18.372 13.615 9.481 1.00 72.24 H new ATOM 0 HB2 ARG A 73 17.716 16.430 9.244 1.00 22.21 H new ATOM 0 HB3 ARG A 73 19.045 16.235 10.369 1.00 22.21 H new ATOM 0 HG2 ARG A 73 19.757 14.543 8.275 1.00 72.13 H new ATOM 0 HG3 ARG A 73 18.988 15.884 7.450 1.00 72.13 H new ATOM 0 HD2 ARG A 73 21.354 15.986 9.349 1.00 62.44 H new ATOM 0 HD3 ARG A 73 21.327 16.415 7.650 1.00 62.44 H new ATOM 0 HE ARG A 73 19.494 18.166 8.707 1.00 21.53 H new ATOM 0 HH11 ARG A 73 22.793 17.259 9.579 1.00 30.32 H new ATOM 0 HH12 ARG A 73 23.174 18.847 10.252 1.00 30.32 H new ATOM 0 HH21 ARG A 73 19.992 20.204 9.573 1.00 71.23 H new ATOM 0 HH22 ARG A 73 21.596 20.507 10.249 1.00 71.23 H new ATOM 1183 N GLU A 74 17.697 15.172 12.330 1.00 12.41 N ATOM 1184 CA GLU A 74 17.902 15.109 13.772 1.00 14.24 C ATOM 1185 C GLU A 74 17.395 13.785 14.336 1.00 32.14 C ATOM 1186 O GLU A 74 17.852 13.329 15.385 1.00 55.41 O ATOM 1187 CB GLU A 74 17.191 16.275 14.462 1.00 13.35 C ATOM 1188 CG GLU A 74 17.504 16.387 15.945 1.00 13.41 C ATOM 1189 CD GLU A 74 17.171 17.755 16.510 1.00 70.22 C ATOM 1190 OE1 GLU A 74 16.521 18.548 15.797 1.00 44.32 O ATOM 1191 OE2 GLU A 74 17.560 18.032 17.664 1.00 71.45 O ATOM 0 H GLU A 74 17.142 15.968 12.017 1.00 12.41 H new ATOM 0 HA GLU A 74 18.973 15.180 13.964 1.00 14.24 H new ATOM 0 HB2 GLU A 74 17.473 17.205 13.968 1.00 13.35 H new ATOM 0 HB3 GLU A 74 16.115 16.160 14.334 1.00 13.35 H new ATOM 0 HG2 GLU A 74 16.943 15.627 16.489 1.00 13.41 H new ATOM 0 HG3 GLU A 74 18.562 16.179 16.106 1.00 13.41 H new ATOM 1198 N TRP A 75 16.449 13.173 13.634 1.00 55.24 N ATOM 1199 CA TRP A 75 15.879 11.901 14.064 1.00 54.41 C ATOM 1200 C TRP A 75 16.976 10.882 14.348 1.00 31.35 C ATOM 1201 O TRP A 75 16.892 10.118 15.311 1.00 43.22 O ATOM 1202 CB TRP A 75 14.926 11.359 12.997 1.00 14.25 C ATOM 1203 CG TRP A 75 13.929 10.377 13.535 1.00 1.43 C ATOM 1204 CD1 TRP A 75 12.859 10.652 14.339 1.00 45.02 C ATOM 1205 CD2 TRP A 75 13.911 8.964 13.310 1.00 63.35 C ATOM 1206 NE1 TRP A 75 12.178 9.494 14.626 1.00 12.12 N ATOM 1207 CE2 TRP A 75 12.802 8.445 14.006 1.00 63.50 C ATOM 1208 CE3 TRP A 75 14.723 8.086 12.585 1.00 14.23 C ATOM 1209 CZ2 TRP A 75 12.488 7.088 13.999 1.00 54.31 C ATOM 1210 CZ3 TRP A 75 14.409 6.740 12.580 1.00 41.44 C ATOM 1211 CH2 TRP A 75 13.299 6.252 13.282 1.00 63.13 C ATOM 0 H TRP A 75 16.060 13.537 12.764 1.00 55.24 H new ATOM 0 HA TRP A 75 15.322 12.073 14.985 1.00 54.41 H new ATOM 0 HB2 TRP A 75 14.394 12.192 12.538 1.00 14.25 H new ATOM 0 HB3 TRP A 75 15.508 10.881 12.209 1.00 14.25 H new ATOM 0 HD1 TRP A 75 12.589 11.635 14.696 1.00 45.02 H new ATOM 0 HE1 TRP A 75 11.342 9.427 15.207 1.00 12.12 H new ATOM 0 HE3 TRP A 75 15.580 8.453 12.039 1.00 14.23 H new ATOM 0 HZ2 TRP A 75 11.634 6.709 14.541 1.00 54.31 H new ATOM 0 HZ3 TRP A 75 15.030 6.052 12.025 1.00 41.44 H new ATOM 0 HH2 TRP A 75 13.079 5.195 13.256 1.00 63.13 H new ATOM 1222 N TYR A 76 18.003 10.875 13.507 1.00 64.52 N ATOM 1223 CA TYR A 76 19.116 9.946 13.667 1.00 5.54 C ATOM 1224 C TYR A 76 20.450 10.688 13.660 1.00 53.12 C ATOM 1225 O TYR A 76 21.511 10.078 13.536 1.00 10.52 O ATOM 1226 CB TYR A 76 19.098 8.897 12.555 1.00 54.24 C ATOM 1227 CG TYR A 76 20.030 7.733 12.804 1.00 14.02 C ATOM 1228 CD1 TYR A 76 21.159 7.541 12.017 1.00 35.32 C ATOM 1229 CD2 TYR A 76 19.781 6.825 13.826 1.00 70.01 C ATOM 1230 CE1 TYR A 76 22.013 6.478 12.241 1.00 53.11 C ATOM 1231 CE2 TYR A 76 20.630 5.761 14.058 1.00 63.52 C ATOM 1232 CZ TYR A 76 21.745 5.591 13.263 1.00 54.24 C ATOM 1233 OH TYR A 76 22.592 4.531 13.490 1.00 43.25 O ATOM 0 H TYR A 76 18.089 11.502 12.707 1.00 64.52 H new ATOM 0 HA TYR A 76 19.003 9.447 14.629 1.00 5.54 H new ATOM 0 HB2 TYR A 76 18.082 8.520 12.440 1.00 54.24 H new ATOM 0 HB3 TYR A 76 19.370 9.374 11.613 1.00 54.24 H new ATOM 0 HD1 TYR A 76 21.373 8.234 11.217 1.00 35.32 H new ATOM 0 HD2 TYR A 76 18.909 6.954 14.449 1.00 70.01 H new ATOM 0 HE1 TYR A 76 22.886 6.342 11.619 1.00 53.11 H new ATOM 0 HE2 TYR A 76 20.422 5.065 14.858 1.00 63.52 H new ATOM 0 HH TYR A 76 22.260 4.003 14.246 1.00 43.25 H new ATOM 1243 N ASN A 77 20.385 12.009 13.794 1.00 63.12 N ATOM 1244 CA ASN A 77 21.587 12.836 13.803 1.00 73.34 C ATOM 1245 C ASN A 77 22.471 12.523 12.600 1.00 63.24 C ATOM 1246 O ASN A 77 23.330 11.642 12.660 1.00 12.22 O ATOM 1247 CB ASN A 77 22.372 12.617 15.098 1.00 53.24 C ATOM 1248 CG ASN A 77 23.767 13.208 15.035 1.00 51.43 C ATOM 1249 OD1 ASN A 77 24.757 12.518 15.277 1.00 0.21 O ATOM 1250 ND2 ASN A 77 23.851 14.493 14.708 1.00 32.21 N ATOM 0 H ASN A 77 19.514 12.529 13.898 1.00 63.12 H new ATOM 0 HA ASN A 77 21.280 13.880 13.744 1.00 73.34 H new ATOM 0 HB2 ASN A 77 21.828 13.065 15.930 1.00 53.24 H new ATOM 0 HB3 ASN A 77 22.442 11.548 15.301 1.00 53.24 H new ATOM 0 HD21 ASN A 77 24.763 14.946 14.649 1.00 32.21 H new ATOM 0 HD22 ASN A 77 23.003 15.027 14.516 1.00 32.21 H new ATOM 1257 N ILE A 78 22.256 13.250 11.509 1.00 53.03 N ATOM 1258 CA ILE A 78 23.034 13.051 10.293 1.00 43.34 C ATOM 1259 C ILE A 78 24.192 14.040 10.213 1.00 1.53 C ATOM 1260 O ILE A 78 23.985 15.252 10.131 1.00 32.31 O ATOM 1261 CB ILE A 78 22.160 13.200 9.034 1.00 73.14 C ATOM 1262 CG1 ILE A 78 21.370 11.914 8.780 1.00 64.03 C ATOM 1263 CG2 ILE A 78 23.021 13.546 7.828 1.00 21.22 C ATOM 1264 CD1 ILE A 78 22.243 10.729 8.430 1.00 34.40 C ATOM 0 H ILE A 78 21.549 13.982 11.442 1.00 53.03 H new ATOM 0 HA ILE A 78 23.428 12.036 10.334 1.00 43.34 H new ATOM 0 HB ILE A 78 21.453 14.013 9.195 1.00 73.14 H new ATOM 0 HG12 ILE A 78 20.785 11.675 9.668 1.00 64.03 H new ATOM 0 HG13 ILE A 78 20.662 12.086 7.969 1.00 64.03 H new ATOM 0 HG21 ILE A 78 22.388 13.648 6.946 1.00 21.22 H new ATOM 0 HG22 ILE A 78 23.543 14.486 8.011 1.00 21.22 H new ATOM 0 HG23 ILE A 78 23.750 12.753 7.662 1.00 21.22 H new ATOM 0 HD11 ILE A 78 21.617 9.852 8.263 1.00 34.40 H new ATOM 0 HD12 ILE A 78 22.809 10.949 7.524 1.00 34.40 H new ATOM 0 HD13 ILE A 78 22.933 10.531 9.250 1.00 34.40 H new ATOM 1276 N THR A 79 25.414 13.516 10.237 1.00 52.53 N ATOM 1277 CA THR A 79 26.605 14.353 10.167 1.00 65.53 C ATOM 1278 C THR A 79 27.050 14.556 8.723 1.00 3.20 C ATOM 1279 O THR A 79 27.512 15.635 8.352 1.00 3.21 O ATOM 1280 CB THR A 79 27.769 13.740 10.969 1.00 1.31 C ATOM 1281 OG1 THR A 79 27.887 12.344 10.673 1.00 1.21 O ATOM 1282 CG2 THR A 79 27.556 13.931 12.463 1.00 34.21 C ATOM 0 H THR A 79 25.604 12.516 10.304 1.00 52.53 H new ATOM 0 HA THR A 79 26.341 15.317 10.602 1.00 65.53 H new ATOM 0 HB THR A 79 28.688 14.250 10.681 1.00 1.31 H new ATOM 0 HG1 THR A 79 28.630 11.963 11.186 1.00 1.21 H new ATOM 0 HG21 THR A 79 28.390 13.490 13.009 1.00 34.21 H new ATOM 0 HG22 THR A 79 27.497 14.996 12.689 1.00 34.21 H new ATOM 0 HG23 THR A 79 26.628 13.444 12.763 1.00 34.21 H new ATOM 1290 N SER A 80 26.908 13.513 7.912 1.00 74.11 N ATOM 1291 CA SER A 80 27.298 13.577 6.508 1.00 30.34 C ATOM 1292 C SER A 80 26.075 13.739 5.611 1.00 33.41 C ATOM 1293 O SER A 80 25.444 12.757 5.219 1.00 72.01 O ATOM 1294 CB SER A 80 28.071 12.316 6.114 1.00 14.51 C ATOM 1295 OG SER A 80 27.401 11.149 6.556 1.00 31.54 O ATOM 0 H SER A 80 26.526 12.613 8.203 1.00 74.11 H new ATOM 0 HA SER A 80 27.942 14.446 6.374 1.00 30.34 H new ATOM 0 HB2 SER A 80 28.191 12.282 5.031 1.00 14.51 H new ATOM 0 HB3 SER A 80 29.072 12.350 6.544 1.00 14.51 H new ATOM 0 HG SER A 80 26.457 11.195 6.295 1.00 31.54 H new ATOM 1301 N VAL A 81 25.745 14.986 5.290 1.00 62.33 N ATOM 1302 CA VAL A 81 24.599 15.278 4.438 1.00 55.10 C ATOM 1303 C VAL A 81 24.488 14.269 3.300 1.00 14.33 C ATOM 1304 O VAL A 81 23.477 13.584 3.142 1.00 63.24 O ATOM 1305 CB VAL A 81 24.687 16.697 3.845 1.00 63.33 C ATOM 1306 CG1 VAL A 81 23.396 17.461 4.093 1.00 51.15 C ATOM 1307 CG2 VAL A 81 25.878 17.443 4.426 1.00 4.32 C ATOM 0 H VAL A 81 26.255 15.810 5.607 1.00 62.33 H new ATOM 0 HA VAL A 81 23.712 15.210 5.067 1.00 55.10 H new ATOM 0 HB VAL A 81 24.829 16.614 2.768 1.00 63.33 H new ATOM 0 HG11 VAL A 81 23.477 18.461 3.667 1.00 51.15 H new ATOM 0 HG12 VAL A 81 22.565 16.933 3.624 1.00 51.15 H new ATOM 0 HG13 VAL A 81 23.219 17.537 5.166 1.00 51.15 H new ATOM 0 HG21 VAL A 81 25.925 18.444 3.996 1.00 4.32 H new ATOM 0 HG22 VAL A 81 25.768 17.517 5.508 1.00 4.32 H new ATOM 0 HG23 VAL A 81 26.795 16.903 4.191 1.00 4.32 H new ATOM 1317 N PRO A 82 25.551 14.174 2.488 1.00 12.21 N ATOM 1318 CA PRO A 82 25.598 13.251 1.351 1.00 70.33 C ATOM 1319 C PRO A 82 25.680 11.793 1.791 1.00 65.04 C ATOM 1320 O PRO A 82 26.751 11.184 1.763 1.00 53.32 O ATOM 1321 CB PRO A 82 26.876 13.660 0.614 1.00 12.11 C ATOM 1322 CG PRO A 82 27.732 14.286 1.660 1.00 11.32 C ATOM 1323 CD PRO A 82 26.789 14.961 2.618 1.00 60.40 C ATOM 0 HA PRO A 82 24.698 13.313 0.739 1.00 70.33 H new ATOM 0 HB2 PRO A 82 27.367 12.797 0.165 1.00 12.11 H new ATOM 0 HB3 PRO A 82 26.661 14.360 -0.193 1.00 12.11 H new ATOM 0 HG2 PRO A 82 28.336 13.536 2.170 1.00 11.32 H new ATOM 0 HG3 PRO A 82 28.422 15.006 1.220 1.00 11.32 H new ATOM 0 HD2 PRO A 82 27.172 14.943 3.639 1.00 60.40 H new ATOM 0 HD3 PRO A 82 26.630 16.007 2.356 1.00 60.40 H new ATOM 1331 N THR A 83 24.543 11.237 2.197 1.00 63.32 N ATOM 1332 CA THR A 83 24.487 9.851 2.643 1.00 22.43 C ATOM 1333 C THR A 83 23.729 8.982 1.646 1.00 63.11 C ATOM 1334 O THR A 83 23.022 9.491 0.776 1.00 30.31 O ATOM 1335 CB THR A 83 23.815 9.732 4.024 1.00 25.04 C ATOM 1336 OG1 THR A 83 23.617 11.034 4.586 1.00 52.11 O ATOM 1337 CG2 THR A 83 24.663 8.891 4.968 1.00 55.23 C ATOM 0 H THR A 83 23.648 11.726 2.226 1.00 63.32 H new ATOM 0 HA THR A 83 25.517 9.501 2.716 1.00 22.43 H new ATOM 0 HB THR A 83 22.850 9.242 3.893 1.00 25.04 H new ATOM 0 HG1 THR A 83 22.699 11.110 4.920 1.00 52.11 H new ATOM 0 HG21 THR A 83 24.168 8.821 5.937 1.00 55.23 H new ATOM 0 HG22 THR A 83 24.788 7.892 4.552 1.00 55.23 H new ATOM 0 HG23 THR A 83 25.640 9.357 5.092 1.00 55.23 H new ATOM 1345 N PHE A 84 23.881 7.668 1.778 1.00 51.23 N ATOM 1346 CA PHE A 84 23.210 6.728 0.887 1.00 3.21 C ATOM 1347 C PHE A 84 22.407 5.704 1.683 1.00 72.22 C ATOM 1348 O PHE A 84 22.970 4.884 2.408 1.00 61.53 O ATOM 1349 CB PHE A 84 24.233 6.014 0.001 1.00 1.10 C ATOM 1350 CG PHE A 84 24.384 6.633 -1.359 1.00 74.13 C ATOM 1351 CD1 PHE A 84 23.280 6.822 -2.175 1.00 14.12 C ATOM 1352 CD2 PHE A 84 25.629 7.025 -1.823 1.00 22.23 C ATOM 1353 CE1 PHE A 84 23.414 7.392 -3.427 1.00 64.40 C ATOM 1354 CE2 PHE A 84 25.770 7.595 -3.074 1.00 1.14 C ATOM 1355 CZ PHE A 84 24.662 7.778 -3.877 1.00 74.43 C ATOM 0 H PHE A 84 24.462 7.230 2.493 1.00 51.23 H new ATOM 0 HA PHE A 84 22.523 7.291 0.255 1.00 3.21 H new ATOM 0 HB2 PHE A 84 25.201 6.017 0.502 1.00 1.10 H new ATOM 0 HB3 PHE A 84 23.937 4.971 -0.114 1.00 1.10 H new ATOM 0 HD1 PHE A 84 22.303 6.520 -1.828 1.00 14.12 H new ATOM 0 HD2 PHE A 84 26.500 6.884 -1.200 1.00 22.23 H new ATOM 0 HE1 PHE A 84 22.545 7.535 -4.052 1.00 64.40 H new ATOM 0 HE2 PHE A 84 26.746 7.897 -3.423 1.00 1.14 H new ATOM 0 HZ PHE A 84 24.771 8.222 -4.855 1.00 74.43 H new ATOM 1365 N VAL A 85 21.086 5.758 1.542 1.00 20.04 N ATOM 1366 CA VAL A 85 20.204 4.835 2.247 1.00 52.41 C ATOM 1367 C VAL A 85 19.391 3.996 1.267 1.00 11.44 C ATOM 1368 O VAL A 85 18.728 4.531 0.378 1.00 70.00 O ATOM 1369 CB VAL A 85 19.240 5.586 3.185 1.00 5.32 C ATOM 1370 CG1 VAL A 85 18.643 4.635 4.211 1.00 65.54 C ATOM 1371 CG2 VAL A 85 19.956 6.741 3.870 1.00 23.53 C ATOM 0 H VAL A 85 20.603 6.431 0.946 1.00 20.04 H new ATOM 0 HA VAL A 85 20.841 4.180 2.841 1.00 52.41 H new ATOM 0 HB VAL A 85 18.425 5.996 2.588 1.00 5.32 H new ATOM 0 HG11 VAL A 85 17.965 5.184 4.864 1.00 65.54 H new ATOM 0 HG12 VAL A 85 18.093 3.845 3.699 1.00 65.54 H new ATOM 0 HG13 VAL A 85 19.442 4.193 4.806 1.00 65.54 H new ATOM 0 HG21 VAL A 85 19.260 7.261 4.529 1.00 23.53 H new ATOM 0 HG22 VAL A 85 20.791 6.356 4.455 1.00 23.53 H new ATOM 0 HG23 VAL A 85 20.330 7.435 3.117 1.00 23.53 H new ATOM 1381 N ILE A 86 19.446 2.680 1.437 1.00 22.32 N ATOM 1382 CA ILE A 86 18.713 1.767 0.569 1.00 65.41 C ATOM 1383 C ILE A 86 17.493 1.192 1.280 1.00 22.12 C ATOM 1384 O ILE A 86 17.600 0.660 2.384 1.00 23.34 O ATOM 1385 CB ILE A 86 19.607 0.608 0.089 1.00 71.43 C ATOM 1386 CG1 ILE A 86 21.056 1.077 -0.052 1.00 25.20 C ATOM 1387 CG2 ILE A 86 19.093 0.055 -1.232 1.00 72.22 C ATOM 1388 CD1 ILE A 86 21.996 -0.003 -0.540 1.00 24.30 C ATOM 0 H ILE A 86 19.990 2.222 2.168 1.00 22.32 H new ATOM 0 HA ILE A 86 18.387 2.346 -0.295 1.00 65.41 H new ATOM 0 HB ILE A 86 19.574 -0.189 0.832 1.00 71.43 H new ATOM 0 HG12 ILE A 86 21.091 1.918 -0.744 1.00 25.20 H new ATOM 0 HG13 ILE A 86 21.406 1.443 0.913 1.00 25.20 H new ATOM 0 HG21 ILE A 86 19.735 -0.763 -1.558 1.00 72.22 H new ATOM 0 HG22 ILE A 86 18.075 -0.312 -1.101 1.00 72.22 H new ATOM 0 HG23 ILE A 86 19.100 0.844 -1.984 1.00 72.22 H new ATOM 0 HD11 ILE A 86 23.006 0.401 -0.616 1.00 24.30 H new ATOM 0 HD12 ILE A 86 21.990 -0.836 0.164 1.00 24.30 H new ATOM 0 HD13 ILE A 86 21.670 -0.353 -1.519 1.00 24.30 H new ATOM 1400 N GLU A 87 16.334 1.302 0.638 1.00 3.02 N ATOM 1401 CA GLU A 87 15.094 0.792 1.210 1.00 74.01 C ATOM 1402 C GLU A 87 14.341 -0.067 0.198 1.00 60.12 C ATOM 1403 O GLU A 87 14.462 0.128 -1.012 1.00 1.12 O ATOM 1404 CB GLU A 87 14.206 1.949 1.673 1.00 0.02 C ATOM 1405 CG GLU A 87 13.746 2.853 0.542 1.00 15.54 C ATOM 1406 CD GLU A 87 12.538 2.303 -0.190 1.00 75.41 C ATOM 1407 OE1 GLU A 87 12.506 2.396 -1.435 1.00 64.52 O ATOM 1408 OE2 GLU A 87 11.624 1.779 0.481 1.00 52.21 O ATOM 0 H GLU A 87 16.228 1.739 -0.277 1.00 3.02 H new ATOM 0 HA GLU A 87 15.349 0.172 2.070 1.00 74.01 H new ATOM 0 HB2 GLU A 87 13.331 1.544 2.182 1.00 0.02 H new ATOM 0 HB3 GLU A 87 14.752 2.545 2.404 1.00 0.02 H new ATOM 0 HG2 GLU A 87 13.506 3.837 0.944 1.00 15.54 H new ATOM 0 HG3 GLU A 87 14.564 2.989 -0.165 1.00 15.54 H new ATOM 1415 N LYS A 88 13.564 -1.020 0.701 1.00 13.24 N ATOM 1416 CA LYS A 88 12.790 -1.910 -0.156 1.00 51.41 C ATOM 1417 C LYS A 88 11.346 -2.010 0.326 1.00 62.32 C ATOM 1418 O LYS A 88 10.924 -3.045 0.841 1.00 3.41 O ATOM 1419 CB LYS A 88 13.426 -3.301 -0.188 1.00 62.14 C ATOM 1420 CG LYS A 88 12.683 -4.289 -1.070 1.00 70.43 C ATOM 1421 CD LYS A 88 12.478 -5.621 -0.367 1.00 5.54 C ATOM 1422 CE LYS A 88 11.139 -6.242 -0.729 1.00 35.43 C ATOM 1423 NZ LYS A 88 10.624 -7.123 0.356 1.00 23.14 N ATOM 0 H LYS A 88 13.454 -1.196 1.700 1.00 13.24 H new ATOM 0 HA LYS A 88 12.790 -1.494 -1.164 1.00 51.41 H new ATOM 0 HB2 LYS A 88 14.454 -3.213 -0.541 1.00 62.14 H new ATOM 0 HB3 LYS A 88 13.470 -3.695 0.827 1.00 62.14 H new ATOM 0 HG2 LYS A 88 11.716 -3.872 -1.350 1.00 70.43 H new ATOM 0 HG3 LYS A 88 13.242 -4.446 -1.993 1.00 70.43 H new ATOM 0 HD2 LYS A 88 13.282 -6.304 -0.639 1.00 5.54 H new ATOM 0 HD3 LYS A 88 12.533 -5.476 0.712 1.00 5.54 H new ATOM 0 HE2 LYS A 88 10.415 -5.452 -0.930 1.00 35.43 H new ATOM 0 HE3 LYS A 88 11.243 -6.820 -1.647 1.00 35.43 H new ATOM 0 HZ1 LYS A 88 9.709 -7.527 0.070 1.00 23.14 H new ATOM 0 HZ2 LYS A 88 11.303 -7.892 0.531 1.00 23.14 H new ATOM 0 HZ3 LYS A 88 10.500 -6.566 1.226 1.00 23.14 H new ATOM 1437 N GLY A 89 10.592 -0.929 0.153 1.00 4.52 N ATOM 1438 CA GLY A 89 9.204 -0.917 0.575 1.00 72.13 C ATOM 1439 C GLY A 89 9.014 -1.498 1.962 1.00 61.23 C ATOM 1440 O GLY A 89 8.051 -2.220 2.213 1.00 35.54 O ATOM 0 H GLY A 89 10.918 -0.061 -0.272 1.00 4.52 H new ATOM 0 HA2 GLY A 89 8.832 0.107 0.560 1.00 72.13 H new ATOM 0 HA3 GLY A 89 8.606 -1.484 -0.138 1.00 72.13 H new ATOM 1444 N GLY A 90 9.938 -1.184 2.865 1.00 12.21 N ATOM 1445 CA GLY A 90 9.850 -1.690 4.222 1.00 5.24 C ATOM 1446 C GLY A 90 10.794 -0.976 5.169 1.00 4.43 C ATOM 1447 O GLY A 90 10.450 0.064 5.731 1.00 25.31 O ATOM 0 H GLY A 90 10.745 -0.589 2.681 1.00 12.21 H new ATOM 0 HA2 GLY A 90 8.827 -1.580 4.582 1.00 5.24 H new ATOM 0 HA3 GLY A 90 10.076 -2.756 4.224 1.00 5.24 H new ATOM 1451 N GLU A 91 11.987 -1.535 5.348 1.00 71.33 N ATOM 1452 CA GLU A 91 12.982 -0.945 6.236 1.00 72.43 C ATOM 1453 C GLU A 91 14.334 -0.831 5.538 1.00 1.01 C ATOM 1454 O GLU A 91 14.592 -1.474 4.520 1.00 3.23 O ATOM 1455 CB GLU A 91 13.122 -1.782 7.509 1.00 75.40 C ATOM 1456 CG GLU A 91 12.816 -3.257 7.305 1.00 44.23 C ATOM 1457 CD GLU A 91 13.374 -4.127 8.414 1.00 64.21 C ATOM 1458 OE1 GLU A 91 13.531 -5.346 8.189 1.00 43.30 O ATOM 1459 OE2 GLU A 91 13.654 -3.591 9.506 1.00 13.32 O ATOM 0 H GLU A 91 12.288 -2.395 4.890 1.00 71.33 H new ATOM 0 HA GLU A 91 12.645 0.056 6.504 1.00 72.43 H new ATOM 0 HB2 GLU A 91 14.138 -1.680 7.891 1.00 75.40 H new ATOM 0 HB3 GLU A 91 12.453 -1.383 8.271 1.00 75.40 H new ATOM 0 HG2 GLU A 91 11.736 -3.396 7.248 1.00 44.23 H new ATOM 0 HG3 GLU A 91 13.230 -3.582 6.350 1.00 44.23 H new ATOM 1466 N PRO A 92 15.219 0.008 6.097 1.00 31.25 N ATOM 1467 CA PRO A 92 16.559 0.227 5.547 1.00 65.05 C ATOM 1468 C PRO A 92 17.461 -0.991 5.713 1.00 21.43 C ATOM 1469 O PRO A 92 17.645 -1.493 6.823 1.00 22.02 O ATOM 1470 CB PRO A 92 17.093 1.403 6.368 1.00 13.32 C ATOM 1471 CG PRO A 92 16.343 1.338 7.654 1.00 71.01 C ATOM 1472 CD PRO A 92 14.979 0.806 7.311 1.00 13.32 C ATOM 0 HA PRO A 92 16.532 0.416 4.474 1.00 65.05 H new ATOM 0 HB2 PRO A 92 18.167 1.317 6.531 1.00 13.32 H new ATOM 0 HB3 PRO A 92 16.923 2.351 5.858 1.00 13.32 H new ATOM 0 HG2 PRO A 92 16.848 0.687 8.368 1.00 71.01 H new ATOM 0 HG3 PRO A 92 16.273 2.323 8.115 1.00 71.01 H new ATOM 0 HD2 PRO A 92 14.571 0.197 8.118 1.00 13.32 H new ATOM 0 HD3 PRO A 92 14.268 1.612 7.128 1.00 13.32 H new ATOM 1480 N LEU A 93 18.021 -1.463 4.605 1.00 5.10 N ATOM 1481 CA LEU A 93 18.905 -2.623 4.629 1.00 64.34 C ATOM 1482 C LEU A 93 20.332 -2.229 4.260 1.00 51.33 C ATOM 1483 O LEU A 93 21.294 -2.864 4.691 1.00 55.53 O ATOM 1484 CB LEU A 93 18.396 -3.697 3.665 1.00 12.15 C ATOM 1485 CG LEU A 93 18.648 -5.146 4.082 1.00 71.42 C ATOM 1486 CD1 LEU A 93 17.920 -5.464 5.378 1.00 15.25 C ATOM 1487 CD2 LEU A 93 18.216 -6.101 2.978 1.00 25.11 C ATOM 0 H LEU A 93 17.879 -1.060 3.679 1.00 5.10 H new ATOM 0 HA LEU A 93 18.909 -3.024 5.642 1.00 64.34 H new ATOM 0 HB2 LEU A 93 17.323 -3.559 3.533 1.00 12.15 H new ATOM 0 HB3 LEU A 93 18.860 -3.534 2.693 1.00 12.15 H new ATOM 0 HG LEU A 93 19.717 -5.274 4.250 1.00 71.42 H new ATOM 0 HD11 LEU A 93 18.112 -6.500 5.658 1.00 15.25 H new ATOM 0 HD12 LEU A 93 18.277 -4.802 6.167 1.00 15.25 H new ATOM 0 HD13 LEU A 93 16.849 -5.318 5.239 1.00 15.25 H new ATOM 0 HD21 LEU A 93 18.403 -7.128 3.292 1.00 25.11 H new ATOM 0 HD22 LEU A 93 17.152 -5.970 2.779 1.00 25.11 H new ATOM 0 HD23 LEU A 93 18.783 -5.890 2.072 1.00 25.11 H new ATOM 1499 N GLY A 94 20.461 -1.174 3.460 1.00 30.12 N ATOM 1500 CA GLY A 94 21.773 -0.712 3.049 1.00 45.44 C ATOM 1501 C GLY A 94 22.123 0.640 3.639 1.00 41.35 C ATOM 1502 O GLY A 94 21.238 1.442 3.934 1.00 2.54 O ATOM 0 H GLY A 94 19.680 -0.632 3.090 1.00 30.12 H new ATOM 0 HA2 GLY A 94 22.523 -1.442 3.352 1.00 45.44 H new ATOM 0 HA3 GLY A 94 21.809 -0.651 1.961 1.00 45.44 H new ATOM 1506 N GLU A 95 23.417 0.892 3.811 1.00 11.32 N ATOM 1507 CA GLU A 95 23.880 2.156 4.372 1.00 21.04 C ATOM 1508 C GLU A 95 25.375 2.344 4.130 1.00 71.33 C ATOM 1509 O GLU A 95 26.169 1.427 4.338 1.00 21.53 O ATOM 1510 CB GLU A 95 23.585 2.212 5.873 1.00 72.13 C ATOM 1511 CG GLU A 95 24.510 1.343 6.708 1.00 41.01 C ATOM 1512 CD GLU A 95 23.863 0.872 7.996 1.00 4.42 C ATOM 1513 OE1 GLU A 95 24.509 0.987 9.059 1.00 32.54 O ATOM 1514 OE2 GLU A 95 22.713 0.390 7.942 1.00 50.24 O ATOM 0 H GLU A 95 24.162 0.239 3.570 1.00 11.32 H new ATOM 0 HA GLU A 95 23.344 2.963 3.873 1.00 21.04 H new ATOM 0 HB2 GLU A 95 23.666 3.245 6.212 1.00 72.13 H new ATOM 0 HB3 GLU A 95 22.555 1.900 6.044 1.00 72.13 H new ATOM 0 HG2 GLU A 95 24.816 0.477 6.122 1.00 41.01 H new ATOM 0 HG3 GLU A 95 25.414 1.904 6.944 1.00 41.01 H new ATOM 1521 N VAL A 96 25.751 3.539 3.687 1.00 50.32 N ATOM 1522 CA VAL A 96 27.150 3.849 3.416 1.00 73.13 C ATOM 1523 C VAL A 96 27.466 5.301 3.753 1.00 4.51 C ATOM 1524 O VAL A 96 26.624 6.186 3.594 1.00 24.51 O ATOM 1525 CB VAL A 96 27.507 3.586 1.941 1.00 40.23 C ATOM 1526 CG1 VAL A 96 28.960 3.947 1.671 1.00 53.45 C ATOM 1527 CG2 VAL A 96 27.233 2.135 1.577 1.00 63.30 C ATOM 0 H VAL A 96 25.106 4.309 3.508 1.00 50.32 H new ATOM 0 HA VAL A 96 27.748 3.194 4.049 1.00 73.13 H new ATOM 0 HB VAL A 96 26.878 4.218 1.315 1.00 40.23 H new ATOM 0 HG11 VAL A 96 29.194 3.755 0.624 1.00 53.45 H new ATOM 0 HG12 VAL A 96 29.119 5.003 1.890 1.00 53.45 H new ATOM 0 HG13 VAL A 96 29.609 3.343 2.305 1.00 53.45 H new ATOM 0 HG21 VAL A 96 27.491 1.967 0.531 1.00 63.30 H new ATOM 0 HG22 VAL A 96 27.835 1.482 2.209 1.00 63.30 H new ATOM 0 HG23 VAL A 96 26.176 1.915 1.730 1.00 63.30 H new ATOM 1537 N LYS A 97 28.687 5.542 4.220 1.00 40.13 N ATOM 1538 CA LYS A 97 29.118 6.888 4.579 1.00 71.03 C ATOM 1539 C LYS A 97 30.493 7.193 3.994 1.00 43.01 C ATOM 1540 O LYS A 97 31.518 6.910 4.613 1.00 42.42 O ATOM 1541 CB LYS A 97 29.153 7.046 6.100 1.00 34.35 C ATOM 1542 CG LYS A 97 27.947 6.445 6.802 1.00 54.31 C ATOM 1543 CD LYS A 97 28.318 5.189 7.572 1.00 74.02 C ATOM 1544 CE LYS A 97 27.164 4.703 8.435 1.00 15.45 C ATOM 1545 NZ LYS A 97 25.909 4.548 7.649 1.00 51.15 N ATOM 0 H LYS A 97 29.396 4.822 4.359 1.00 40.13 H new ATOM 0 HA LYS A 97 28.400 7.595 4.163 1.00 71.03 H new ATOM 0 HB2 LYS A 97 30.058 6.576 6.485 1.00 34.35 H new ATOM 0 HB3 LYS A 97 29.215 8.106 6.345 1.00 34.35 H new ATOM 0 HG2 LYS A 97 27.520 7.179 7.485 1.00 54.31 H new ATOM 0 HG3 LYS A 97 27.178 6.208 6.067 1.00 54.31 H new ATOM 0 HD2 LYS A 97 28.606 4.404 6.873 1.00 74.02 H new ATOM 0 HD3 LYS A 97 29.185 5.390 8.201 1.00 74.02 H new ATOM 0 HE2 LYS A 97 27.428 3.748 8.889 1.00 15.45 H new ATOM 0 HE3 LYS A 97 26.998 5.408 9.249 1.00 15.45 H new ATOM 0 HZ1 LYS A 97 25.219 3.999 8.201 1.00 51.15 H new ATOM 0 HZ2 LYS A 97 25.514 5.486 7.436 1.00 51.15 H new ATOM 0 HZ3 LYS A 97 26.116 4.050 6.760 1.00 51.15 H new ATOM 1559 N GLY A 98 30.508 7.773 2.798 1.00 55.35 N ATOM 1560 CA GLY A 98 31.763 8.108 2.150 1.00 14.24 C ATOM 1561 C GLY A 98 31.649 8.127 0.639 1.00 14.30 C ATOM 1562 O GLY A 98 30.734 7.543 0.057 1.00 45.44 O ATOM 0 H GLY A 98 29.673 8.017 2.266 1.00 55.35 H new ATOM 0 HA2 GLY A 98 32.098 9.085 2.498 1.00 14.24 H new ATOM 0 HA3 GLY A 98 32.524 7.386 2.445 1.00 14.24 H new ATOM 1566 N PRO A 99 32.593 8.814 -0.021 1.00 23.41 N ATOM 1567 CA PRO A 99 32.616 8.924 -1.482 1.00 50.15 C ATOM 1568 C PRO A 99 32.965 7.603 -2.158 1.00 62.44 C ATOM 1569 O PRO A 99 34.135 7.229 -2.246 1.00 41.51 O ATOM 1570 CB PRO A 99 33.709 9.963 -1.743 1.00 4.23 C ATOM 1571 CG PRO A 99 34.602 9.880 -0.553 1.00 62.31 C ATOM 1572 CD PRO A 99 33.713 9.534 0.609 1.00 55.11 C ATOM 0 HA PRO A 99 31.641 9.200 -1.885 1.00 50.15 H new ATOM 0 HB2 PRO A 99 34.253 9.744 -2.662 1.00 4.23 H new ATOM 0 HB3 PRO A 99 33.287 10.962 -1.853 1.00 4.23 H new ATOM 0 HG2 PRO A 99 35.372 9.121 -0.695 1.00 62.31 H new ATOM 0 HG3 PRO A 99 35.115 10.827 -0.383 1.00 62.31 H new ATOM 0 HD2 PRO A 99 34.230 8.912 1.340 1.00 55.11 H new ATOM 0 HD3 PRO A 99 33.372 10.426 1.134 1.00 55.11 H new ATOM 1580 N ASP A 100 31.944 6.899 -2.635 1.00 10.31 N ATOM 1581 CA ASP A 100 32.143 5.619 -3.305 1.00 4.42 C ATOM 1582 C ASP A 100 31.075 5.391 -4.369 1.00 74.30 C ATOM 1583 O ASP A 100 30.411 4.353 -4.384 1.00 5.25 O ATOM 1584 CB ASP A 100 32.120 4.478 -2.287 1.00 61.22 C ATOM 1585 CG ASP A 100 30.765 4.319 -1.626 1.00 2.53 C ATOM 1586 OD1 ASP A 100 30.517 3.251 -1.029 1.00 21.40 O ATOM 1587 OD2 ASP A 100 29.953 5.265 -1.704 1.00 22.30 O ATOM 0 H ASP A 100 30.970 7.193 -2.570 1.00 10.31 H new ATOM 0 HA ASP A 100 33.117 5.640 -3.794 1.00 4.42 H new ATOM 0 HB2 ASP A 100 32.390 3.546 -2.784 1.00 61.22 H new ATOM 0 HB3 ASP A 100 32.875 4.662 -1.522 1.00 61.22 H new ATOM 1592 N ILE A 101 30.913 6.366 -5.257 1.00 33.03 N ATOM 1593 CA ILE A 101 29.925 6.270 -6.324 1.00 54.50 C ATOM 1594 C ILE A 101 30.127 5.004 -7.149 1.00 31.12 C ATOM 1595 O ILE A 101 29.177 4.458 -7.710 1.00 32.44 O ATOM 1596 CB ILE A 101 29.985 7.493 -7.258 1.00 42.24 C ATOM 1597 CG1 ILE A 101 29.421 8.729 -6.554 1.00 61.03 C ATOM 1598 CG2 ILE A 101 29.222 7.215 -8.545 1.00 11.22 C ATOM 1599 CD1 ILE A 101 27.942 8.631 -6.254 1.00 72.21 C ATOM 0 H ILE A 101 31.453 7.231 -5.259 1.00 33.03 H new ATOM 0 HA ILE A 101 28.946 6.236 -5.845 1.00 54.50 H new ATOM 0 HB ILE A 101 31.027 7.687 -7.511 1.00 42.24 H new ATOM 0 HG12 ILE A 101 29.963 8.885 -5.621 1.00 61.03 H new ATOM 0 HG13 ILE A 101 29.600 9.605 -7.177 1.00 61.03 H new ATOM 0 HG21 ILE A 101 29.274 8.089 -9.195 1.00 11.22 H new ATOM 0 HG22 ILE A 101 29.665 6.358 -9.053 1.00 11.22 H new ATOM 0 HG23 ILE A 101 28.180 6.998 -8.311 1.00 11.22 H new ATOM 0 HD11 ILE A 101 27.611 9.542 -5.755 1.00 72.21 H new ATOM 0 HD12 ILE A 101 27.389 8.506 -7.185 1.00 72.21 H new ATOM 0 HD13 ILE A 101 27.758 7.775 -5.605 1.00 72.21 H new ATOM 1611 N ASP A 102 31.370 4.541 -7.217 1.00 3.42 N ATOM 1612 CA ASP A 102 31.698 3.337 -7.971 1.00 32.33 C ATOM 1613 C ASP A 102 31.274 2.086 -7.207 1.00 71.12 C ATOM 1614 O ASP A 102 30.618 1.202 -7.758 1.00 33.41 O ATOM 1615 CB ASP A 102 33.198 3.286 -8.265 1.00 72.32 C ATOM 1616 CG ASP A 102 33.577 2.105 -9.137 1.00 73.13 C ATOM 1617 OD1 ASP A 102 32.719 1.647 -9.922 1.00 23.24 O ATOM 1618 OD2 ASP A 102 34.731 1.640 -9.036 1.00 71.53 O ATOM 0 H ASP A 102 32.168 4.982 -6.759 1.00 3.42 H new ATOM 0 HA ASP A 102 31.152 3.368 -8.914 1.00 32.33 H new ATOM 0 HB2 ASP A 102 33.500 4.210 -8.758 1.00 72.32 H new ATOM 0 HB3 ASP A 102 33.748 3.232 -7.325 1.00 72.32 H new ATOM 1623 N LYS A 103 31.654 2.018 -5.936 1.00 21.31 N ATOM 1624 CA LYS A 103 31.314 0.876 -5.095 1.00 61.23 C ATOM 1625 C LYS A 103 29.811 0.812 -4.846 1.00 54.31 C ATOM 1626 O LYS A 103 29.280 -0.226 -4.449 1.00 2.15 O ATOM 1627 CB LYS A 103 32.060 0.958 -3.761 1.00 52.35 C ATOM 1628 CG LYS A 103 32.284 -0.393 -3.106 1.00 23.24 C ATOM 1629 CD LYS A 103 33.669 -0.490 -2.488 1.00 21.11 C ATOM 1630 CE LYS A 103 34.741 -0.685 -3.550 1.00 33.14 C ATOM 1631 NZ LYS A 103 35.607 -1.860 -3.254 1.00 1.30 N ATOM 0 H LYS A 103 32.198 2.741 -5.465 1.00 21.31 H new ATOM 0 HA LYS A 103 31.617 -0.031 -5.618 1.00 61.23 H new ATOM 0 HB2 LYS A 103 33.025 1.438 -3.923 1.00 52.35 H new ATOM 0 HB3 LYS A 103 31.497 1.595 -3.078 1.00 52.35 H new ATOM 0 HG2 LYS A 103 31.529 -0.555 -2.337 1.00 23.24 H new ATOM 0 HG3 LYS A 103 32.159 -1.183 -3.847 1.00 23.24 H new ATOM 0 HD2 LYS A 103 33.879 0.416 -1.919 1.00 21.11 H new ATOM 0 HD3 LYS A 103 33.697 -1.322 -1.784 1.00 21.11 H new ATOM 0 HE2 LYS A 103 34.268 -0.818 -4.523 1.00 33.14 H new ATOM 0 HE3 LYS A 103 35.356 0.213 -3.614 1.00 33.14 H new ATOM 0 HZ1 LYS A 103 36.324 -1.959 -4.000 1.00 1.30 H new ATOM 0 HZ2 LYS A 103 36.078 -1.722 -2.337 1.00 1.30 H new ATOM 0 HZ3 LYS A 103 35.024 -2.721 -3.218 1.00 1.30 H new ATOM 1645 N LEU A 104 29.129 1.927 -5.083 1.00 54.43 N ATOM 1646 CA LEU A 104 27.685 1.998 -4.886 1.00 71.11 C ATOM 1647 C LEU A 104 26.982 0.843 -5.591 1.00 71.44 C ATOM 1648 O LEU A 104 25.983 0.317 -5.099 1.00 41.42 O ATOM 1649 CB LEU A 104 27.144 3.332 -5.404 1.00 61.33 C ATOM 1650 CG LEU A 104 25.689 3.646 -5.057 1.00 54.21 C ATOM 1651 CD1 LEU A 104 25.611 4.479 -3.787 1.00 53.42 C ATOM 1652 CD2 LEU A 104 25.008 4.366 -6.212 1.00 44.33 C ATOM 0 H LEU A 104 29.553 2.795 -5.412 1.00 54.43 H new ATOM 0 HA LEU A 104 27.485 1.923 -3.817 1.00 71.11 H new ATOM 0 HB2 LEU A 104 27.771 4.133 -5.012 1.00 61.33 H new ATOM 0 HB3 LEU A 104 27.249 3.347 -6.489 1.00 61.33 H new ATOM 0 HG LEU A 104 25.166 2.706 -4.883 1.00 54.21 H new ATOM 0 HD11 LEU A 104 24.568 4.693 -3.556 1.00 53.42 H new ATOM 0 HD12 LEU A 104 26.060 3.927 -2.961 1.00 53.42 H new ATOM 0 HD13 LEU A 104 26.150 5.415 -3.932 1.00 53.42 H new ATOM 0 HD21 LEU A 104 23.973 4.581 -5.947 1.00 44.33 H new ATOM 0 HD22 LEU A 104 25.532 5.300 -6.418 1.00 44.33 H new ATOM 0 HD23 LEU A 104 25.031 3.733 -7.099 1.00 44.33 H new ATOM 1664 N ARG A 105 27.511 0.451 -6.746 1.00 24.54 N ATOM 1665 CA ARG A 105 26.935 -0.643 -7.518 1.00 63.50 C ATOM 1666 C ARG A 105 26.758 -1.887 -6.651 1.00 44.23 C ATOM 1667 O ARG A 105 25.713 -2.535 -6.686 1.00 11.23 O ATOM 1668 CB ARG A 105 27.822 -0.969 -8.721 1.00 25.31 C ATOM 1669 CG ARG A 105 27.949 0.176 -9.713 1.00 35.44 C ATOM 1670 CD ARG A 105 29.254 0.100 -10.488 1.00 63.42 C ATOM 1671 NE ARG A 105 29.519 -1.248 -10.984 1.00 74.33 N ATOM 1672 CZ ARG A 105 28.974 -1.745 -12.090 1.00 1.53 C ATOM 1673 NH1 ARG A 105 28.140 -1.008 -12.810 1.00 43.54 N ATOM 1674 NH2 ARG A 105 29.264 -2.980 -12.476 1.00 71.34 N ATOM 0 H ARG A 105 28.337 0.875 -7.167 1.00 24.54 H new ATOM 0 HA ARG A 105 25.954 -0.326 -7.873 1.00 63.50 H new ATOM 0 HB2 ARG A 105 28.816 -1.242 -8.366 1.00 25.31 H new ATOM 0 HB3 ARG A 105 27.416 -1.840 -9.235 1.00 25.31 H new ATOM 0 HG2 ARG A 105 27.110 0.151 -10.408 1.00 35.44 H new ATOM 0 HG3 ARG A 105 27.895 1.126 -9.182 1.00 35.44 H new ATOM 0 HD2 ARG A 105 29.218 0.794 -11.327 1.00 63.42 H new ATOM 0 HD3 ARG A 105 30.076 0.418 -9.846 1.00 63.42 H new ATOM 0 HE ARG A 105 30.157 -1.840 -10.453 1.00 74.33 H new ATOM 0 HH11 ARG A 105 27.915 -0.058 -12.516 1.00 43.54 H new ATOM 0 HH12 ARG A 105 27.723 -1.391 -13.658 1.00 43.54 H new ATOM 0 HH21 ARG A 105 29.906 -3.549 -11.924 1.00 71.34 H new ATOM 0 HH22 ARG A 105 28.845 -3.361 -13.325 1.00 71.34 H new ATOM 1688 N GLU A 106 27.788 -2.213 -5.876 1.00 51.10 N ATOM 1689 CA GLU A 106 27.746 -3.379 -5.002 1.00 33.31 C ATOM 1690 C GLU A 106 26.764 -3.163 -3.854 1.00 22.44 C ATOM 1691 O GLU A 106 26.058 -4.085 -3.443 1.00 55.32 O ATOM 1692 CB GLU A 106 29.140 -3.679 -4.446 1.00 54.34 C ATOM 1693 CG GLU A 106 30.247 -3.547 -5.478 1.00 42.51 C ATOM 1694 CD GLU A 106 31.497 -4.315 -5.094 1.00 72.02 C ATOM 1695 OE1 GLU A 106 31.386 -5.530 -4.826 1.00 45.14 O ATOM 1696 OE2 GLU A 106 32.584 -3.702 -5.061 1.00 62.22 O ATOM 0 H GLU A 106 28.661 -1.686 -5.836 1.00 51.10 H new ATOM 0 HA GLU A 106 27.408 -4.231 -5.592 1.00 33.31 H new ATOM 0 HB2 GLU A 106 29.345 -3.002 -3.617 1.00 54.34 H new ATOM 0 HB3 GLU A 106 29.151 -4.691 -4.041 1.00 54.34 H new ATOM 0 HG2 GLU A 106 29.885 -3.907 -6.441 1.00 42.51 H new ATOM 0 HG3 GLU A 106 30.497 -2.494 -5.605 1.00 42.51 H new ATOM 1703 N THR A 107 26.726 -1.939 -3.338 1.00 0.43 N ATOM 1704 CA THR A 107 25.834 -1.601 -2.236 1.00 53.31 C ATOM 1705 C THR A 107 24.376 -1.825 -2.621 1.00 32.02 C ATOM 1706 O THR A 107 23.547 -2.173 -1.778 1.00 62.04 O ATOM 1707 CB THR A 107 26.017 -0.137 -1.794 1.00 13.42 C ATOM 1708 OG1 THR A 107 27.407 0.205 -1.795 1.00 41.50 O ATOM 1709 CG2 THR A 107 25.436 0.086 -0.406 1.00 33.04 C ATOM 0 H THR A 107 27.303 -1.165 -3.666 1.00 0.43 H new ATOM 0 HA THR A 107 26.093 -2.258 -1.406 1.00 53.31 H new ATOM 0 HB THR A 107 25.486 0.501 -2.500 1.00 13.42 H new ATOM 0 HG1 THR A 107 27.515 1.138 -1.515 1.00 41.50 H new ATOM 0 HG21 THR A 107 25.577 1.127 -0.115 1.00 33.04 H new ATOM 0 HG22 THR A 107 24.371 -0.147 -0.416 1.00 33.04 H new ATOM 0 HG23 THR A 107 25.943 -0.562 0.309 1.00 33.04 H new ATOM 1717 N LEU A 108 24.068 -1.625 -3.897 1.00 43.45 N ATOM 1718 CA LEU A 108 22.709 -1.806 -4.395 1.00 32.05 C ATOM 1719 C LEU A 108 22.447 -3.268 -4.742 1.00 53.12 C ATOM 1720 O LEU A 108 21.300 -3.717 -4.756 1.00 65.14 O ATOM 1721 CB LEU A 108 22.473 -0.927 -5.624 1.00 72.32 C ATOM 1722 CG LEU A 108 22.679 -1.602 -6.981 1.00 14.12 C ATOM 1723 CD1 LEU A 108 21.389 -2.254 -7.454 1.00 32.22 C ATOM 1724 CD2 LEU A 108 23.177 -0.595 -8.007 1.00 53.12 C ATOM 0 H LEU A 108 24.742 -1.337 -4.607 1.00 43.45 H new ATOM 0 HA LEU A 108 22.017 -1.509 -3.607 1.00 32.05 H new ATOM 0 HB2 LEU A 108 21.453 -0.544 -5.582 1.00 72.32 H new ATOM 0 HB3 LEU A 108 23.139 -0.066 -5.564 1.00 72.32 H new ATOM 0 HG LEU A 108 23.435 -2.379 -6.868 1.00 14.12 H new ATOM 0 HD11 LEU A 108 21.555 -2.729 -8.421 1.00 32.22 H new ATOM 0 HD12 LEU A 108 21.074 -3.005 -6.730 1.00 32.22 H new ATOM 0 HD13 LEU A 108 20.612 -1.496 -7.551 1.00 32.22 H new ATOM 0 HD21 LEU A 108 23.318 -1.093 -8.966 1.00 53.12 H new ATOM 0 HD22 LEU A 108 22.445 0.205 -8.117 1.00 53.12 H new ATOM 0 HD23 LEU A 108 24.126 -0.175 -7.673 1.00 53.12 H new ATOM 1736 N ASP A 109 23.516 -4.005 -5.020 1.00 21.31 N ATOM 1737 CA ASP A 109 23.402 -5.418 -5.364 1.00 44.23 C ATOM 1738 C ASP A 109 23.219 -6.269 -4.112 1.00 32.41 C ATOM 1739 O ASP A 109 22.374 -7.163 -4.077 1.00 15.15 O ATOM 1740 CB ASP A 109 24.642 -5.879 -6.132 1.00 41.13 C ATOM 1741 CG ASP A 109 24.870 -7.373 -6.020 1.00 60.51 C ATOM 1742 OD1 ASP A 109 25.860 -7.776 -5.374 1.00 22.21 O ATOM 1743 OD2 ASP A 109 24.058 -8.141 -6.578 1.00 11.42 O ATOM 0 H ASP A 109 24.471 -3.648 -5.014 1.00 21.31 H new ATOM 0 HA ASP A 109 22.524 -5.543 -5.998 1.00 44.23 H new ATOM 0 HB2 ASP A 109 24.537 -5.608 -7.183 1.00 41.13 H new ATOM 0 HB3 ASP A 109 25.517 -5.351 -5.753 1.00 41.13 H new ATOM 1748 N GLU A 110 24.017 -5.986 -3.087 1.00 41.04 N ATOM 1749 CA GLU A 110 23.943 -6.728 -1.834 1.00 50.22 C ATOM 1750 C GLU A 110 22.521 -6.719 -1.280 1.00 62.20 C ATOM 1751 O GLU A 110 22.135 -7.604 -0.515 1.00 24.02 O ATOM 1752 CB GLU A 110 24.907 -6.132 -0.806 1.00 34.44 C ATOM 1753 CG GLU A 110 26.337 -6.021 -1.305 1.00 42.52 C ATOM 1754 CD GLU A 110 27.240 -7.098 -0.736 1.00 11.31 C ATOM 1755 OE1 GLU A 110 27.419 -7.129 0.500 1.00 42.42 O ATOM 1756 OE2 GLU A 110 27.767 -7.909 -1.525 1.00 60.11 O ATOM 0 H GLU A 110 24.722 -5.249 -3.100 1.00 41.04 H new ATOM 0 HA GLU A 110 24.230 -7.760 -2.034 1.00 50.22 H new ATOM 0 HB2 GLU A 110 24.553 -5.141 -0.520 1.00 34.44 H new ATOM 0 HB3 GLU A 110 24.892 -6.748 0.093 1.00 34.44 H new ATOM 0 HG2 GLU A 110 26.344 -6.084 -2.393 1.00 42.52 H new ATOM 0 HG3 GLU A 110 26.735 -5.041 -1.040 1.00 42.52 H new ATOM 1763 N LEU A 111 21.746 -5.713 -1.671 1.00 65.41 N ATOM 1764 CA LEU A 111 20.367 -5.588 -1.214 1.00 12.22 C ATOM 1765 C LEU A 111 19.394 -6.098 -2.272 1.00 31.21 C ATOM 1766 O LEU A 111 18.511 -6.906 -1.981 1.00 14.15 O ATOM 1767 CB LEU A 111 20.052 -4.130 -0.876 1.00 14.42 C ATOM 1768 CG LEU A 111 18.569 -3.766 -0.788 1.00 31.52 C ATOM 1769 CD1 LEU A 111 18.336 -2.733 0.304 1.00 62.24 C ATOM 1770 CD2 LEU A 111 18.065 -3.252 -2.128 1.00 45.53 C ATOM 0 H LEU A 111 22.049 -4.972 -2.303 1.00 65.41 H new ATOM 0 HA LEU A 111 20.251 -6.196 -0.317 1.00 12.22 H new ATOM 0 HB2 LEU A 111 20.522 -3.890 0.078 1.00 14.42 H new ATOM 0 HB3 LEU A 111 20.517 -3.495 -1.630 1.00 14.42 H new ATOM 0 HG LEU A 111 18.009 -4.666 -0.533 1.00 31.52 H new ATOM 0 HD11 LEU A 111 17.275 -2.487 0.351 1.00 62.24 H new ATOM 0 HD12 LEU A 111 18.658 -3.139 1.263 1.00 62.24 H new ATOM 0 HD13 LEU A 111 18.908 -1.832 0.081 1.00 62.24 H new ATOM 0 HD21 LEU A 111 17.008 -2.998 -2.046 1.00 45.53 H new ATOM 0 HD22 LEU A 111 18.630 -2.365 -2.413 1.00 45.53 H new ATOM 0 HD23 LEU A 111 18.195 -4.024 -2.886 1.00 45.53 H new ATOM 1782 N LEU A 112 19.563 -5.624 -3.501 1.00 53.12 N ATOM 1783 CA LEU A 112 18.701 -6.034 -4.604 1.00 52.15 C ATOM 1784 C LEU A 112 18.762 -7.544 -4.811 1.00 42.23 C ATOM 1785 O LEU A 112 17.861 -8.136 -5.403 1.00 75.32 O ATOM 1786 CB LEU A 112 19.109 -5.314 -5.891 1.00 62.31 C ATOM 1787 CG LEU A 112 18.109 -5.384 -7.045 1.00 51.25 C ATOM 1788 CD1 LEU A 112 16.770 -4.796 -6.627 1.00 72.45 C ATOM 1789 CD2 LEU A 112 18.653 -4.659 -8.267 1.00 44.44 C ATOM 0 H LEU A 112 20.289 -4.955 -3.759 1.00 53.12 H new ATOM 0 HA LEU A 112 17.676 -5.762 -4.352 1.00 52.15 H new ATOM 0 HB2 LEU A 112 19.289 -4.265 -5.655 1.00 62.31 H new ATOM 0 HB3 LEU A 112 20.057 -5.731 -6.232 1.00 62.31 H new ATOM 0 HG LEU A 112 17.958 -6.431 -7.306 1.00 51.25 H new ATOM 0 HD11 LEU A 112 16.071 -4.854 -7.461 1.00 72.45 H new ATOM 0 HD12 LEU A 112 16.374 -5.358 -5.781 1.00 72.45 H new ATOM 0 HD13 LEU A 112 16.905 -3.753 -6.339 1.00 72.45 H new ATOM 0 HD21 LEU A 112 17.928 -4.719 -9.079 1.00 44.44 H new ATOM 0 HD22 LEU A 112 18.834 -3.613 -8.019 1.00 44.44 H new ATOM 0 HD23 LEU A 112 19.587 -5.125 -8.580 1.00 44.44 H new ATOM 1801 N ALA A 113 19.831 -8.161 -4.318 1.00 10.43 N ATOM 1802 CA ALA A 113 20.008 -9.602 -4.445 1.00 12.24 C ATOM 1803 C ALA A 113 18.965 -10.357 -3.628 1.00 11.14 C ATOM 1804 O ALA A 113 18.552 -11.457 -3.995 1.00 50.13 O ATOM 1805 CB ALA A 113 21.411 -10.002 -4.012 1.00 13.41 C ATOM 0 H ALA A 113 20.588 -7.685 -3.827 1.00 10.43 H new ATOM 0 HA ALA A 113 19.873 -9.869 -5.493 1.00 12.24 H new ATOM 0 HB1 ALA A 113 21.529 -11.081 -4.112 1.00 13.41 H new ATOM 0 HB2 ALA A 113 22.144 -9.497 -4.641 1.00 13.41 H new ATOM 0 HB3 ALA A 113 21.567 -9.715 -2.972 1.00 13.41 H new ATOM 1811 N ARG A 114 18.543 -9.760 -2.518 1.00 5.33 N ATOM 1812 CA ARG A 114 17.550 -10.377 -1.648 1.00 31.43 C ATOM 1813 C ARG A 114 16.311 -10.783 -2.440 1.00 74.21 C ATOM 1814 O ARG A 114 15.820 -11.906 -2.313 1.00 54.24 O ATOM 1815 CB ARG A 114 17.158 -9.417 -0.523 1.00 53.15 C ATOM 1816 CG ARG A 114 18.136 -9.408 0.639 1.00 23.45 C ATOM 1817 CD ARG A 114 17.547 -10.082 1.869 1.00 72.55 C ATOM 1818 NE ARG A 114 16.718 -9.168 2.650 1.00 71.35 N ATOM 1819 CZ ARG A 114 16.127 -9.505 3.791 1.00 40.24 C ATOM 1820 NH1 ARG A 114 16.274 -10.728 4.281 1.00 15.23 N ATOM 1821 NH2 ARG A 114 15.388 -8.617 4.444 1.00 41.03 N ATOM 0 H ARG A 114 18.874 -8.849 -2.200 1.00 5.33 H new ATOM 0 HA ARG A 114 17.992 -11.273 -1.213 1.00 31.43 H new ATOM 0 HB2 ARG A 114 17.080 -8.408 -0.929 1.00 53.15 H new ATOM 0 HB3 ARG A 114 16.170 -9.689 -0.153 1.00 53.15 H new ATOM 0 HG2 ARG A 114 19.054 -9.919 0.347 1.00 23.45 H new ATOM 0 HG3 ARG A 114 18.406 -8.380 0.880 1.00 23.45 H new ATOM 0 HD2 ARG A 114 16.949 -10.940 1.561 1.00 72.55 H new ATOM 0 HD3 ARG A 114 18.354 -10.464 2.495 1.00 72.55 H new ATOM 0 HE ARG A 114 16.586 -8.219 2.300 1.00 71.35 H new ATOM 0 HH11 ARG A 114 16.842 -11.413 3.782 1.00 15.23 H new ATOM 0 HH12 ARG A 114 15.819 -10.984 5.157 1.00 15.23 H new ATOM 0 HH21 ARG A 114 15.273 -7.675 4.070 1.00 41.03 H new ATOM 0 HH22 ARG A 114 14.934 -8.876 5.320 1.00 41.03 H new ATOM 1835 N LEU A 115 15.809 -9.863 -3.257 1.00 5.04 N ATOM 1836 CA LEU A 115 14.627 -10.124 -4.070 1.00 32.22 C ATOM 1837 C LEU A 115 15.014 -10.729 -5.415 1.00 70.43 C ATOM 1838 O LEU A 115 14.231 -11.453 -6.029 1.00 33.42 O ATOM 1839 CB LEU A 115 13.838 -8.832 -4.287 1.00 55.01 C ATOM 1840 CG LEU A 115 12.492 -8.738 -3.567 1.00 73.54 C ATOM 1841 CD1 LEU A 115 11.487 -9.696 -4.188 1.00 74.14 C ATOM 1842 CD2 LEU A 115 12.659 -9.027 -2.083 1.00 25.42 C ATOM 0 H LEU A 115 16.203 -8.929 -3.374 1.00 5.04 H new ATOM 0 HA LEU A 115 14.001 -10.840 -3.537 1.00 32.22 H new ATOM 0 HB2 LEU A 115 14.457 -7.994 -3.968 1.00 55.01 H new ATOM 0 HB3 LEU A 115 13.665 -8.711 -5.356 1.00 55.01 H new ATOM 0 HG LEU A 115 12.113 -7.722 -3.678 1.00 73.54 H new ATOM 0 HD11 LEU A 115 10.535 -9.615 -3.663 1.00 74.14 H new ATOM 0 HD12 LEU A 115 11.344 -9.443 -5.239 1.00 74.14 H new ATOM 0 HD13 LEU A 115 11.860 -10.717 -4.108 1.00 74.14 H new ATOM 0 HD21 LEU A 115 11.691 -8.955 -1.587 1.00 25.42 H new ATOM 0 HD22 LEU A 115 13.061 -10.032 -1.951 1.00 25.42 H new ATOM 0 HD23 LEU A 115 13.345 -8.301 -1.646 1.00 25.42 H new ATOM 1854 N GLU A 116 16.228 -10.429 -5.866 1.00 51.24 N ATOM 1855 CA GLU A 116 16.719 -10.945 -7.139 1.00 13.03 C ATOM 1856 C GLU A 116 17.930 -11.849 -6.928 1.00 42.43 C ATOM 1857 O GLU A 116 18.134 -12.812 -7.666 1.00 54.03 O ATOM 1858 CB GLU A 116 17.085 -9.792 -8.075 1.00 4.40 C ATOM 1859 CG GLU A 116 16.256 -9.754 -9.348 1.00 2.43 C ATOM 1860 CD GLU A 116 15.329 -8.555 -9.404 1.00 74.41 C ATOM 1861 OE1 GLU A 116 15.835 -7.414 -9.416 1.00 2.25 O ATOM 1862 OE2 GLU A 116 14.097 -8.759 -9.436 1.00 41.34 O ATOM 0 H GLU A 116 16.889 -9.832 -5.369 1.00 51.24 H new ATOM 0 HA GLU A 116 15.923 -11.534 -7.595 1.00 13.03 H new ATOM 0 HB2 GLU A 116 16.960 -8.849 -7.542 1.00 4.40 H new ATOM 0 HB3 GLU A 116 18.139 -9.871 -8.340 1.00 4.40 H new ATOM 0 HG2 GLU A 116 16.922 -9.734 -10.211 1.00 2.43 H new ATOM 0 HG3 GLU A 116 15.667 -10.668 -9.421 1.00 2.43 H new