USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=18 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 68 THR OG1 : rot 27:sc= -0.449 USER MOD Set 1.2: A 69 ASN : amide:sc= -2.75 K(o=-3.2,f=-4.6!) USER MOD Set 2.1: A 36 HIS : no HE2:sc= 0.246 K(o=-0.22,f=-3.5!) USER MOD Set 2.2: A 66 THR OG1 : rot -140:sc= -0.469 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 28:sc= 0.338 USER MOD Single : A 26 SER OG : rot 180:sc= 0.00151 USER MOD Single : A 27 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.19) USER MOD Single : A 30 SER OG : rot -25:sc= 0.447 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 150:sc= -0.276 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.701 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.42) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 80 SER OG : rot 50:sc= 0.00521 USER MOD Single : A 83 THR OG1 : rot -71:sc= 1.14 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -133:sc= -0.608 (180deg=-2.83) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot -170:sc= -0.977 USER MOD ----------------------------------------------------------------- ATOM 168 N HIS A 12 10.632 10.490 -9.427 1.00 51.41 N ATOM 169 CA HIS A 12 9.726 10.906 -8.362 1.00 24.54 C ATOM 170 C HIS A 12 10.462 11.743 -7.319 1.00 75.32 C ATOM 171 O HIS A 12 11.547 11.378 -6.868 1.00 21.51 O ATOM 172 CB HIS A 12 9.093 9.683 -7.697 1.00 1.04 C ATOM 173 CG HIS A 12 7.762 9.310 -8.273 1.00 60.11 C ATOM 174 ND1 HIS A 12 7.588 8.253 -9.142 1.00 14.42 N ATOM 175 CD2 HIS A 12 6.537 9.858 -8.099 1.00 52.43 C ATOM 176 CE1 HIS A 12 6.313 8.169 -9.479 1.00 0.22 C ATOM 177 NE2 HIS A 12 5.654 9.132 -8.859 1.00 72.43 N ATOM 0 HA HIS A 12 8.940 11.518 -8.805 1.00 24.54 H new ATOM 0 HB2 HIS A 12 9.772 8.835 -7.793 1.00 1.04 H new ATOM 0 HB3 HIS A 12 8.976 9.879 -6.631 1.00 1.04 H new ATOM 0 HD2 HIS A 12 6.298 10.709 -7.478 1.00 52.43 H new ATOM 0 HE1 HIS A 12 5.883 7.438 -10.147 1.00 0.22 H new ATOM 0 HE2 HIS A 12 4.652 9.307 -8.933 1.00 72.43 H new ATOM 185 N VAL A 13 9.863 12.868 -6.942 1.00 31.15 N ATOM 186 CA VAL A 13 10.460 13.757 -5.952 1.00 64.23 C ATOM 187 C VAL A 13 9.585 13.863 -4.709 1.00 13.11 C ATOM 188 O VAL A 13 8.357 13.874 -4.801 1.00 51.34 O ATOM 189 CB VAL A 13 10.687 15.167 -6.529 1.00 62.12 C ATOM 190 CG1 VAL A 13 11.556 15.101 -7.776 1.00 23.42 C ATOM 191 CG2 VAL A 13 9.356 15.838 -6.832 1.00 43.52 C ATOM 0 H VAL A 13 8.965 13.185 -7.307 1.00 31.15 H new ATOM 0 HA VAL A 13 11.423 13.325 -5.678 1.00 64.23 H new ATOM 0 HB VAL A 13 11.209 15.766 -5.783 1.00 62.12 H new ATOM 0 HG11 VAL A 13 11.705 16.107 -8.169 1.00 23.42 H new ATOM 0 HG12 VAL A 13 12.522 14.663 -7.524 1.00 23.42 H new ATOM 0 HG13 VAL A 13 11.065 14.486 -8.530 1.00 23.42 H new ATOM 0 HG21 VAL A 13 9.535 16.833 -7.239 1.00 43.52 H new ATOM 0 HG22 VAL A 13 8.805 15.242 -7.560 1.00 43.52 H new ATOM 0 HG23 VAL A 13 8.773 15.920 -5.915 1.00 43.52 H new ATOM 201 N ILE A 14 10.224 13.941 -3.547 1.00 0.52 N ATOM 202 CA ILE A 14 9.503 14.049 -2.285 1.00 30.45 C ATOM 203 C ILE A 14 9.770 15.390 -1.611 1.00 40.51 C ATOM 204 O ILE A 14 10.883 15.915 -1.665 1.00 72.51 O ATOM 205 CB ILE A 14 9.891 12.915 -1.317 1.00 14.13 C ATOM 206 CG1 ILE A 14 9.530 11.555 -1.918 1.00 53.45 C ATOM 207 CG2 ILE A 14 9.201 13.106 0.026 1.00 42.10 C ATOM 208 CD1 ILE A 14 10.610 10.983 -2.810 1.00 13.14 C ATOM 0 H ILE A 14 11.240 13.931 -3.453 1.00 0.52 H new ATOM 0 HA ILE A 14 8.442 13.969 -2.521 1.00 30.45 H new ATOM 0 HB ILE A 14 10.969 12.946 -1.158 1.00 14.13 H new ATOM 0 HG12 ILE A 14 9.327 10.852 -1.110 1.00 53.45 H new ATOM 0 HG13 ILE A 14 8.609 11.654 -2.493 1.00 53.45 H new ATOM 0 HG21 ILE A 14 9.485 12.297 0.699 1.00 42.10 H new ATOM 0 HG22 ILE A 14 9.503 14.060 0.458 1.00 42.10 H new ATOM 0 HG23 ILE A 14 8.120 13.098 -0.116 1.00 42.10 H new ATOM 0 HD11 ILE A 14 10.286 10.018 -3.201 1.00 13.14 H new ATOM 0 HD12 ILE A 14 10.797 11.666 -3.639 1.00 13.14 H new ATOM 0 HD13 ILE A 14 11.526 10.852 -2.234 1.00 13.14 H new ATOM 220 N LYS A 15 8.742 15.942 -0.975 1.00 21.22 N ATOM 221 CA LYS A 15 8.865 17.222 -0.287 1.00 33.51 C ATOM 222 C LYS A 15 7.868 17.318 0.864 1.00 3.20 C ATOM 223 O LYS A 15 7.402 18.405 1.204 1.00 3.54 O ATOM 224 CB LYS A 15 8.640 18.375 -1.268 1.00 25.43 C ATOM 225 CG LYS A 15 7.363 18.244 -2.079 1.00 20.51 C ATOM 226 CD LYS A 15 6.606 19.559 -2.143 1.00 52.32 C ATOM 227 CE LYS A 15 5.613 19.575 -3.295 1.00 52.22 C ATOM 228 NZ LYS A 15 4.448 18.685 -3.036 1.00 14.15 N ATOM 0 H LYS A 15 7.814 15.523 -0.922 1.00 21.22 H new ATOM 0 HA LYS A 15 9.873 17.292 0.121 1.00 33.51 H new ATOM 0 HB2 LYS A 15 8.613 19.313 -0.713 1.00 25.43 H new ATOM 0 HB3 LYS A 15 9.489 18.432 -1.949 1.00 25.43 H new ATOM 0 HG2 LYS A 15 7.605 17.913 -3.089 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.727 17.478 -1.636 1.00 20.51 H new ATOM 0 HD2 LYS A 15 6.078 19.722 -1.204 1.00 52.32 H new ATOM 0 HD3 LYS A 15 7.312 20.381 -2.258 1.00 52.32 H new ATOM 0 HE2 LYS A 15 5.262 20.594 -3.458 1.00 52.22 H new ATOM 0 HE3 LYS A 15 6.114 19.260 -4.210 1.00 52.22 H new ATOM 0 HZ1 LYS A 15 3.795 18.724 -3.844 1.00 14.15 H new ATOM 0 HZ2 LYS A 15 4.780 17.708 -2.906 1.00 14.15 H new ATOM 0 HZ3 LYS A 15 3.954 19.000 -2.177 1.00 14.15 H new ATOM 242 N SER A 16 7.547 16.175 1.460 1.00 21.54 N ATOM 243 CA SER A 16 6.604 16.131 2.572 1.00 63.51 C ATOM 244 C SER A 16 6.911 14.958 3.498 1.00 31.33 C ATOM 245 O SER A 16 7.588 14.005 3.110 1.00 70.23 O ATOM 246 CB SER A 16 5.171 16.021 2.048 1.00 30.55 C ATOM 247 OG SER A 16 4.497 17.263 2.142 1.00 11.54 O ATOM 0 H SER A 16 7.926 15.267 1.192 1.00 21.54 H new ATOM 0 HA SER A 16 6.706 17.056 3.140 1.00 63.51 H new ATOM 0 HB2 SER A 16 5.185 15.689 1.010 1.00 30.55 H new ATOM 0 HB3 SER A 16 4.629 15.266 2.617 1.00 30.55 H new ATOM 0 HG SER A 16 3.584 17.166 1.799 1.00 11.54 H new ATOM 253 N LEU A 17 6.408 15.034 4.725 1.00 1.34 N ATOM 254 CA LEU A 17 6.627 13.980 5.709 1.00 21.33 C ATOM 255 C LEU A 17 5.882 12.707 5.319 1.00 52.41 C ATOM 256 O LEU A 17 6.479 11.638 5.204 1.00 20.34 O ATOM 257 CB LEU A 17 6.174 14.445 7.094 1.00 3.03 C ATOM 258 CG LEU A 17 7.018 13.961 8.274 1.00 34.51 C ATOM 259 CD1 LEU A 17 8.399 14.595 8.239 1.00 2.30 C ATOM 260 CD2 LEU A 17 6.320 14.269 9.591 1.00 40.42 C ATOM 0 H LEU A 17 5.845 15.815 5.062 1.00 1.34 H new ATOM 0 HA LEU A 17 7.694 13.760 5.737 1.00 21.33 H new ATOM 0 HB2 LEU A 17 6.163 15.535 7.104 1.00 3.03 H new ATOM 0 HB3 LEU A 17 5.147 14.115 7.248 1.00 3.03 H new ATOM 0 HG LEU A 17 7.136 12.880 8.192 1.00 34.51 H new ATOM 0 HD11 LEU A 17 8.985 14.238 9.086 1.00 2.30 H new ATOM 0 HD12 LEU A 17 8.901 14.323 7.311 1.00 2.30 H new ATOM 0 HD13 LEU A 17 8.303 15.679 8.295 1.00 2.30 H new ATOM 0 HD21 LEU A 17 6.935 13.918 10.420 1.00 40.42 H new ATOM 0 HD22 LEU A 17 6.171 15.345 9.681 1.00 40.42 H new ATOM 0 HD23 LEU A 17 5.354 13.765 9.617 1.00 40.42 H new ATOM 272 N GLU A 18 4.574 12.833 5.114 1.00 63.21 N ATOM 273 CA GLU A 18 3.748 11.693 4.735 1.00 63.53 C ATOM 274 C GLU A 18 4.300 11.013 3.485 1.00 63.40 C ATOM 275 O GLU A 18 4.497 9.798 3.463 1.00 52.12 O ATOM 276 CB GLU A 18 2.305 12.139 4.491 1.00 61.53 C ATOM 277 CG GLU A 18 1.424 12.050 5.725 1.00 33.12 C ATOM 278 CD GLU A 18 -0.038 12.312 5.419 1.00 41.24 C ATOM 279 OE1 GLU A 18 -0.639 11.513 4.670 1.00 50.30 O ATOM 280 OE2 GLU A 18 -0.580 13.316 5.926 1.00 35.33 O ATOM 0 H GLU A 18 4.065 13.712 5.204 1.00 63.21 H new ATOM 0 HA GLU A 18 3.765 10.976 5.556 1.00 63.53 H new ATOM 0 HB2 GLU A 18 2.308 13.168 4.130 1.00 61.53 H new ATOM 0 HB3 GLU A 18 1.872 11.525 3.701 1.00 61.53 H new ATOM 0 HG2 GLU A 18 1.526 11.060 6.169 1.00 33.12 H new ATOM 0 HG3 GLU A 18 1.771 12.770 6.467 1.00 33.12 H new ATOM 287 N GLU A 19 4.547 11.806 2.447 1.00 22.30 N ATOM 288 CA GLU A 19 5.075 11.280 1.193 1.00 11.04 C ATOM 289 C GLU A 19 6.361 10.495 1.431 1.00 25.35 C ATOM 290 O GLU A 19 6.626 9.497 0.760 1.00 65.31 O ATOM 291 CB GLU A 19 5.335 12.420 0.206 1.00 23.32 C ATOM 292 CG GLU A 19 5.448 11.960 -1.238 1.00 3.23 C ATOM 293 CD GLU A 19 4.096 11.743 -1.889 1.00 0.55 C ATOM 294 OE1 GLU A 19 3.078 11.777 -1.165 1.00 42.04 O ATOM 295 OE2 GLU A 19 4.055 11.540 -3.120 1.00 2.22 O ATOM 0 H GLU A 19 4.390 12.814 2.449 1.00 22.30 H new ATOM 0 HA GLU A 19 4.331 10.605 0.770 1.00 11.04 H new ATOM 0 HB2 GLU A 19 4.528 13.149 0.284 1.00 23.32 H new ATOM 0 HB3 GLU A 19 6.255 12.932 0.489 1.00 23.32 H new ATOM 0 HG2 GLU A 19 6.007 12.701 -1.809 1.00 3.23 H new ATOM 0 HG3 GLU A 19 6.018 11.032 -1.276 1.00 3.23 H new ATOM 302 N LEU A 20 7.158 10.952 2.391 1.00 11.51 N ATOM 303 CA LEU A 20 8.418 10.294 2.719 1.00 52.13 C ATOM 304 C LEU A 20 8.171 8.907 3.303 1.00 25.03 C ATOM 305 O LEU A 20 8.561 7.897 2.717 1.00 41.24 O ATOM 306 CB LEU A 20 9.217 11.143 3.709 1.00 20.20 C ATOM 307 CG LEU A 20 10.734 11.147 3.518 1.00 21.21 C ATOM 308 CD1 LEU A 20 11.122 12.035 2.346 1.00 23.02 C ATOM 309 CD2 LEU A 20 11.431 11.605 4.791 1.00 53.31 C ATOM 0 H LEU A 20 6.954 11.776 2.956 1.00 11.51 H new ATOM 0 HA LEU A 20 8.993 10.184 1.799 1.00 52.13 H new ATOM 0 HB2 LEU A 20 8.860 12.171 3.646 1.00 20.20 H new ATOM 0 HB3 LEU A 20 8.999 10.791 4.717 1.00 20.20 H new ATOM 0 HG LEU A 20 11.056 10.129 3.298 1.00 21.21 H new ATOM 0 HD11 LEU A 20 12.205 12.025 2.225 1.00 23.02 H new ATOM 0 HD12 LEU A 20 10.652 11.662 1.436 1.00 23.02 H new ATOM 0 HD13 LEU A 20 10.787 13.055 2.536 1.00 23.02 H new ATOM 0 HD21 LEU A 20 12.510 11.602 4.636 1.00 53.31 H new ATOM 0 HD22 LEU A 20 11.104 12.614 5.042 1.00 53.31 H new ATOM 0 HD23 LEU A 20 11.179 10.928 5.607 1.00 53.31 H new ATOM 321 N ARG A 21 7.521 8.866 4.461 1.00 34.53 N ATOM 322 CA ARG A 21 7.221 7.602 5.125 1.00 42.34 C ATOM 323 C ARG A 21 6.345 6.719 4.241 1.00 22.34 C ATOM 324 O ARG A 21 6.274 5.506 4.438 1.00 53.15 O ATOM 325 CB ARG A 21 6.523 7.857 6.462 1.00 61.12 C ATOM 326 CG ARG A 21 6.996 6.942 7.580 1.00 72.24 C ATOM 327 CD ARG A 21 5.880 6.653 8.572 1.00 25.40 C ATOM 328 NE ARG A 21 4.813 5.852 7.978 1.00 50.41 N ATOM 329 CZ ARG A 21 4.904 4.543 7.771 1.00 50.40 C ATOM 330 NH1 ARG A 21 6.007 3.891 8.109 1.00 64.41 N ATOM 331 NH2 ARG A 21 3.890 3.885 7.225 1.00 35.45 N ATOM 0 H ARG A 21 7.192 9.693 4.959 1.00 34.53 H new ATOM 0 HA ARG A 21 8.162 7.083 5.308 1.00 42.34 H new ATOM 0 HB2 ARG A 21 6.689 8.893 6.757 1.00 61.12 H new ATOM 0 HB3 ARG A 21 5.448 7.731 6.331 1.00 61.12 H new ATOM 0 HG2 ARG A 21 7.359 6.006 7.156 1.00 72.24 H new ATOM 0 HG3 ARG A 21 7.836 7.404 8.099 1.00 72.24 H new ATOM 0 HD2 ARG A 21 6.289 6.128 9.435 1.00 25.40 H new ATOM 0 HD3 ARG A 21 5.467 7.593 8.937 1.00 25.40 H new ATOM 0 HE ARG A 21 3.950 6.324 7.707 1.00 50.41 H new ATOM 0 HH11 ARG A 21 6.788 4.394 8.529 1.00 64.41 H new ATOM 0 HH12 ARG A 21 6.075 2.886 7.949 1.00 64.41 H new ATOM 0 HH21 ARG A 21 3.040 4.384 6.964 1.00 35.45 H new ATOM 0 HH22 ARG A 21 3.961 2.880 7.066 1.00 35.45 H new ATOM 345 N GLU A 22 5.681 7.336 3.269 1.00 35.15 N ATOM 346 CA GLU A 22 4.808 6.605 2.358 1.00 64.13 C ATOM 347 C GLU A 22 5.626 5.794 1.356 1.00 54.32 C ATOM 348 O GLU A 22 5.214 4.715 0.931 1.00 14.24 O ATOM 349 CB GLU A 22 3.884 7.572 1.615 1.00 45.22 C ATOM 350 CG GLU A 22 2.592 7.869 2.356 1.00 54.13 C ATOM 351 CD GLU A 22 1.453 6.963 1.929 1.00 62.03 C ATOM 352 OE1 GLU A 22 0.334 7.476 1.720 1.00 33.03 O ATOM 353 OE2 GLU A 22 1.681 5.742 1.803 1.00 22.21 O ATOM 0 H GLU A 22 5.731 8.339 3.092 1.00 35.15 H new ATOM 0 HA GLU A 22 4.202 5.918 2.948 1.00 64.13 H new ATOM 0 HB2 GLU A 22 4.416 8.507 1.440 1.00 45.22 H new ATOM 0 HB3 GLU A 22 3.644 7.154 0.637 1.00 45.22 H new ATOM 0 HG2 GLU A 22 2.758 7.757 3.427 1.00 54.13 H new ATOM 0 HG3 GLU A 22 2.309 8.908 2.184 1.00 54.13 H new ATOM 360 N ALA A 23 6.786 6.323 0.982 1.00 1.31 N ATOM 361 CA ALA A 23 7.662 5.649 0.032 1.00 41.42 C ATOM 362 C ALA A 23 8.418 4.505 0.698 1.00 2.12 C ATOM 363 O ALA A 23 8.824 3.547 0.039 1.00 43.51 O ATOM 364 CB ALA A 23 8.638 6.642 -0.582 1.00 52.34 C ATOM 0 H ALA A 23 7.141 7.217 1.323 1.00 1.31 H new ATOM 0 HA ALA A 23 7.042 5.228 -0.760 1.00 41.42 H new ATOM 0 HB1 ALA A 23 9.286 6.125 -1.290 1.00 52.34 H new ATOM 0 HB2 ALA A 23 8.083 7.423 -1.102 1.00 52.34 H new ATOM 0 HB3 ALA A 23 9.245 7.090 0.205 1.00 52.34 H new ATOM 370 N THR A 24 8.605 4.610 2.010 1.00 3.23 N ATOM 371 CA THR A 24 9.314 3.585 2.766 1.00 43.32 C ATOM 372 C THR A 24 8.429 2.367 3.005 1.00 43.42 C ATOM 373 O THR A 24 8.912 1.236 3.043 1.00 75.22 O ATOM 374 CB THR A 24 9.803 4.125 4.123 1.00 11.02 C ATOM 375 OG1 THR A 24 8.803 4.971 4.702 1.00 4.24 O ATOM 376 CG2 THR A 24 11.101 4.902 3.961 1.00 13.02 C ATOM 0 H THR A 24 8.275 5.395 2.571 1.00 3.23 H new ATOM 0 HA THR A 24 10.177 3.292 2.168 1.00 43.32 H new ATOM 0 HB THR A 24 9.987 3.277 4.782 1.00 11.02 H new ATOM 0 HG1 THR A 24 7.917 4.690 4.392 1.00 4.24 H new ATOM 0 HG21 THR A 24 11.426 5.273 4.933 1.00 13.02 H new ATOM 0 HG22 THR A 24 11.868 4.247 3.547 1.00 13.02 H new ATOM 0 HG23 THR A 24 10.940 5.743 3.287 1.00 13.02 H new ATOM 384 N ALA A 25 7.132 2.607 3.165 1.00 71.33 N ATOM 385 CA ALA A 25 6.179 1.528 3.397 1.00 1.42 C ATOM 386 C ALA A 25 6.068 0.621 2.176 1.00 11.34 C ATOM 387 O ALA A 25 5.730 -0.556 2.295 1.00 22.41 O ATOM 388 CB ALA A 25 4.816 2.098 3.760 1.00 74.11 C ATOM 0 H ALA A 25 6.717 3.538 3.138 1.00 71.33 H new ATOM 0 HA ALA A 25 6.543 0.927 4.230 1.00 1.42 H new ATOM 0 HB1 ALA A 25 4.114 1.282 3.931 1.00 74.11 H new ATOM 0 HB2 ALA A 25 4.902 2.698 4.666 1.00 74.11 H new ATOM 0 HB3 ALA A 25 4.454 2.723 2.944 1.00 74.11 H new ATOM 394 N SER A 26 6.353 1.178 1.004 1.00 65.35 N ATOM 395 CA SER A 26 6.281 0.420 -0.240 1.00 31.40 C ATOM 396 C SER A 26 7.095 -0.867 -0.140 1.00 34.10 C ATOM 397 O SER A 26 7.970 -0.996 0.714 1.00 2.25 O ATOM 398 CB SER A 26 6.787 1.267 -1.409 1.00 22.01 C ATOM 399 OG SER A 26 6.202 2.557 -1.394 1.00 51.43 O ATOM 0 H SER A 26 6.636 2.151 0.889 1.00 65.35 H new ATOM 0 HA SER A 26 5.238 0.157 -0.416 1.00 31.40 H new ATOM 0 HB2 SER A 26 7.872 1.356 -1.355 1.00 22.01 H new ATOM 0 HB3 SER A 26 6.554 0.769 -2.350 1.00 22.01 H new ATOM 0 HG SER A 26 6.543 3.079 -2.150 1.00 51.43 H new ATOM 405 N ASN A 27 6.798 -1.817 -1.021 1.00 33.45 N ATOM 406 CA ASN A 27 7.501 -3.095 -1.032 1.00 75.30 C ATOM 407 C ASN A 27 8.487 -3.163 -2.194 1.00 2.03 C ATOM 408 O ASN A 27 8.160 -3.660 -3.271 1.00 53.35 O ATOM 409 CB ASN A 27 6.501 -4.250 -1.129 1.00 41.21 C ATOM 410 CG ASN A 27 7.170 -5.566 -1.475 1.00 22.01 C ATOM 411 OD1 ASN A 27 7.905 -6.133 -0.666 1.00 41.11 O ATOM 412 ND2 ASN A 27 6.918 -6.059 -2.682 1.00 50.51 N ATOM 0 H ASN A 27 6.076 -1.726 -1.736 1.00 33.45 H new ATOM 0 HA ASN A 27 8.059 -3.183 -0.100 1.00 75.30 H new ATOM 0 HB2 ASN A 27 5.974 -4.352 -0.180 1.00 41.21 H new ATOM 0 HB3 ASN A 27 5.752 -4.016 -1.886 1.00 41.21 H new ATOM 0 HD21 ASN A 27 7.340 -6.942 -2.971 1.00 50.51 H new ATOM 0 HD22 ASN A 27 6.302 -5.555 -3.320 1.00 50.51 H new ATOM 419 N ARG A 28 9.696 -2.661 -1.966 1.00 3.41 N ATOM 420 CA ARG A 28 10.731 -2.663 -2.993 1.00 72.42 C ATOM 421 C ARG A 28 12.030 -2.068 -2.458 1.00 51.13 C ATOM 422 O ARG A 28 12.169 -1.836 -1.257 1.00 41.41 O ATOM 423 CB ARG A 28 10.264 -1.877 -4.220 1.00 33.15 C ATOM 424 CG ARG A 28 10.561 -2.572 -5.538 1.00 75.31 C ATOM 425 CD ARG A 28 9.625 -3.748 -5.771 1.00 21.43 C ATOM 426 NE ARG A 28 9.856 -4.384 -7.065 1.00 25.20 N ATOM 427 CZ ARG A 28 8.976 -5.181 -7.660 1.00 52.34 C ATOM 428 NH1 ARG A 28 7.811 -5.437 -7.081 1.00 61.21 N ATOM 429 NH2 ARG A 28 9.259 -5.722 -8.838 1.00 42.03 N ATOM 0 H ARG A 28 9.983 -2.248 -1.079 1.00 3.41 H new ATOM 0 HA ARG A 28 10.918 -3.697 -3.282 1.00 72.42 H new ATOM 0 HB2 ARG A 28 9.190 -1.705 -4.144 1.00 33.15 H new ATOM 0 HB3 ARG A 28 10.744 -0.899 -4.219 1.00 33.15 H new ATOM 0 HG2 ARG A 28 10.462 -1.859 -6.357 1.00 75.31 H new ATOM 0 HG3 ARG A 28 11.594 -2.921 -5.542 1.00 75.31 H new ATOM 0 HD2 ARG A 28 9.761 -4.482 -4.977 1.00 21.43 H new ATOM 0 HD3 ARG A 28 8.592 -3.405 -5.715 1.00 21.43 H new ATOM 0 HE ARG A 28 10.742 -4.206 -7.538 1.00 25.20 H new ATOM 0 HH11 ARG A 28 7.589 -5.021 -6.176 1.00 61.21 H new ATOM 0 HH12 ARG A 28 7.137 -6.049 -7.540 1.00 61.21 H new ATOM 0 HH21 ARG A 28 10.153 -5.526 -9.288 1.00 42.03 H new ATOM 0 HH22 ARG A 28 8.582 -6.334 -9.294 1.00 42.03 H new ATOM 443 N ILE A 29 12.977 -1.824 -3.357 1.00 62.15 N ATOM 444 CA ILE A 29 14.264 -1.256 -2.976 1.00 11.42 C ATOM 445 C ILE A 29 14.391 0.187 -3.453 1.00 51.13 C ATOM 446 O ILE A 29 14.435 0.453 -4.654 1.00 72.55 O ATOM 447 CB ILE A 29 15.434 -2.078 -3.546 1.00 64.21 C ATOM 448 CG1 ILE A 29 15.208 -3.570 -3.294 1.00 24.23 C ATOM 449 CG2 ILE A 29 16.750 -1.625 -2.931 1.00 12.40 C ATOM 450 CD1 ILE A 29 14.630 -4.304 -4.484 1.00 11.54 C ATOM 0 H ILE A 29 12.877 -2.011 -4.355 1.00 62.15 H new ATOM 0 HA ILE A 29 14.310 -1.282 -1.887 1.00 11.42 H new ATOM 0 HB ILE A 29 15.483 -1.914 -4.622 1.00 64.21 H new ATOM 0 HG12 ILE A 29 16.156 -4.031 -3.019 1.00 24.23 H new ATOM 0 HG13 ILE A 29 14.537 -3.689 -2.443 1.00 24.23 H new ATOM 0 HG21 ILE A 29 17.567 -2.216 -3.344 1.00 12.40 H new ATOM 0 HG22 ILE A 29 16.914 -0.571 -3.157 1.00 12.40 H new ATOM 0 HG23 ILE A 29 16.713 -1.763 -1.850 1.00 12.40 H new ATOM 0 HD11 ILE A 29 14.497 -5.356 -4.233 1.00 11.54 H new ATOM 0 HD12 ILE A 29 13.666 -3.869 -4.747 1.00 11.54 H new ATOM 0 HD13 ILE A 29 15.310 -4.217 -5.331 1.00 11.54 H new ATOM 462 N SER A 30 14.451 1.116 -2.504 1.00 62.32 N ATOM 463 CA SER A 30 14.571 2.533 -2.828 1.00 24.54 C ATOM 464 C SER A 30 15.776 3.150 -2.123 1.00 54.23 C ATOM 465 O SER A 30 16.090 2.802 -0.985 1.00 72.11 O ATOM 466 CB SER A 30 13.296 3.278 -2.430 1.00 50.11 C ATOM 467 OG SER A 30 12.161 2.728 -3.076 1.00 62.05 O ATOM 0 H SER A 30 14.418 0.913 -1.505 1.00 62.32 H new ATOM 0 HA SER A 30 14.715 2.624 -3.905 1.00 24.54 H new ATOM 0 HB2 SER A 30 13.164 3.227 -1.349 1.00 50.11 H new ATOM 0 HB3 SER A 30 13.391 4.332 -2.690 1.00 50.11 H new ATOM 0 HG SER A 30 12.440 2.281 -3.902 1.00 62.05 H new ATOM 473 N VAL A 31 16.447 4.070 -2.809 1.00 52.02 N ATOM 474 CA VAL A 31 17.616 4.738 -2.251 1.00 1.25 C ATOM 475 C VAL A 31 17.277 6.155 -1.800 1.00 33.40 C ATOM 476 O VAL A 31 17.146 7.063 -2.621 1.00 4.23 O ATOM 477 CB VAL A 31 18.769 4.798 -3.270 1.00 71.02 C ATOM 478 CG1 VAL A 31 18.274 5.331 -4.606 1.00 14.42 C ATOM 479 CG2 VAL A 31 19.909 5.652 -2.736 1.00 32.45 C ATOM 0 H VAL A 31 16.201 4.369 -3.752 1.00 52.02 H new ATOM 0 HA VAL A 31 17.933 4.151 -1.389 1.00 1.25 H new ATOM 0 HB VAL A 31 19.145 3.787 -3.426 1.00 71.02 H new ATOM 0 HG11 VAL A 31 19.103 5.366 -5.313 1.00 14.42 H new ATOM 0 HG12 VAL A 31 17.494 4.675 -4.993 1.00 14.42 H new ATOM 0 HG13 VAL A 31 17.870 6.334 -4.470 1.00 14.42 H new ATOM 0 HG21 VAL A 31 20.715 5.683 -3.469 1.00 32.45 H new ATOM 0 HG22 VAL A 31 19.549 6.664 -2.549 1.00 32.45 H new ATOM 0 HG23 VAL A 31 20.281 5.222 -1.806 1.00 32.45 H new ATOM 489 N ILE A 32 17.135 6.335 -0.491 1.00 44.32 N ATOM 490 CA ILE A 32 16.813 7.642 0.069 1.00 72.24 C ATOM 491 C ILE A 32 18.066 8.496 0.228 1.00 53.34 C ATOM 492 O ILE A 32 18.978 8.147 0.977 1.00 60.55 O ATOM 493 CB ILE A 32 16.117 7.512 1.436 1.00 14.02 C ATOM 494 CG1 ILE A 32 14.829 6.696 1.302 1.00 24.33 C ATOM 495 CG2 ILE A 32 15.820 8.888 2.012 1.00 11.53 C ATOM 496 CD1 ILE A 32 14.550 5.807 2.494 1.00 4.55 C ATOM 0 H ILE A 32 17.238 5.593 0.201 1.00 44.32 H new ATOM 0 HA ILE A 32 16.133 8.127 -0.631 1.00 72.24 H new ATOM 0 HB ILE A 32 16.787 6.990 2.119 1.00 14.02 H new ATOM 0 HG12 ILE A 32 13.990 7.377 1.163 1.00 24.33 H new ATOM 0 HG13 ILE A 32 14.891 6.079 0.405 1.00 24.33 H new ATOM 0 HG21 ILE A 32 15.328 8.779 2.979 1.00 11.53 H new ATOM 0 HG22 ILE A 32 16.752 9.438 2.139 1.00 11.53 H new ATOM 0 HG23 ILE A 32 15.167 9.434 1.332 1.00 11.53 H new ATOM 0 HD11 ILE A 32 13.622 5.259 2.330 1.00 4.55 H new ATOM 0 HD12 ILE A 32 15.371 5.101 2.622 1.00 4.55 H new ATOM 0 HD13 ILE A 32 14.456 6.420 3.391 1.00 4.55 H new ATOM 508 N VAL A 33 18.103 9.620 -0.481 1.00 53.32 N ATOM 509 CA VAL A 33 19.242 10.527 -0.417 1.00 4.51 C ATOM 510 C VAL A 33 18.797 11.946 -0.079 1.00 24.24 C ATOM 511 O VAL A 33 17.927 12.510 -0.742 1.00 34.43 O ATOM 512 CB VAL A 33 20.019 10.548 -1.747 1.00 11.31 C ATOM 513 CG1 VAL A 33 21.341 11.283 -1.582 1.00 74.13 C ATOM 514 CG2 VAL A 33 20.246 9.132 -2.253 1.00 22.21 C ATOM 0 H VAL A 33 17.357 9.924 -1.106 1.00 53.32 H new ATOM 0 HA VAL A 33 19.897 10.157 0.372 1.00 4.51 H new ATOM 0 HB VAL A 33 19.424 11.083 -2.487 1.00 11.31 H new ATOM 0 HG11 VAL A 33 21.876 11.288 -2.532 1.00 74.13 H new ATOM 0 HG12 VAL A 33 21.150 12.309 -1.268 1.00 74.13 H new ATOM 0 HG13 VAL A 33 21.946 10.779 -0.828 1.00 74.13 H new ATOM 0 HG21 VAL A 33 20.796 9.165 -3.193 1.00 22.21 H new ATOM 0 HG22 VAL A 33 20.820 8.570 -1.516 1.00 22.21 H new ATOM 0 HG23 VAL A 33 19.284 8.644 -2.412 1.00 22.21 H new ATOM 524 N PHE A 34 19.401 12.518 0.958 1.00 42.24 N ATOM 525 CA PHE A 34 19.067 13.872 1.385 1.00 20.21 C ATOM 526 C PHE A 34 20.167 14.853 0.993 1.00 44.33 C ATOM 527 O PHE A 34 21.338 14.657 1.322 1.00 12.12 O ATOM 528 CB PHE A 34 18.848 13.912 2.899 1.00 63.11 C ATOM 529 CG PHE A 34 18.981 12.569 3.559 1.00 13.45 C ATOM 530 CD1 PHE A 34 20.129 12.238 4.260 1.00 31.43 C ATOM 531 CD2 PHE A 34 17.957 11.639 3.479 1.00 10.11 C ATOM 532 CE1 PHE A 34 20.254 11.003 4.870 1.00 51.33 C ATOM 533 CE2 PHE A 34 18.076 10.404 4.087 1.00 61.53 C ATOM 534 CZ PHE A 34 19.226 10.085 4.782 1.00 63.32 C ATOM 0 H PHE A 34 20.124 12.065 1.518 1.00 42.24 H new ATOM 0 HA PHE A 34 18.146 14.168 0.883 1.00 20.21 H new ATOM 0 HB2 PHE A 34 19.567 14.600 3.344 1.00 63.11 H new ATOM 0 HB3 PHE A 34 17.855 14.312 3.104 1.00 63.11 H new ATOM 0 HD1 PHE A 34 20.936 12.953 4.331 1.00 31.43 H new ATOM 0 HD2 PHE A 34 17.056 11.882 2.935 1.00 10.11 H new ATOM 0 HE1 PHE A 34 21.154 10.757 5.414 1.00 51.33 H new ATOM 0 HE2 PHE A 34 17.270 9.688 4.019 1.00 61.53 H new ATOM 0 HZ PHE A 34 19.321 9.119 5.256 1.00 63.32 H new ATOM 544 N THR A 35 19.784 15.912 0.285 1.00 33.44 N ATOM 545 CA THR A 35 20.736 16.923 -0.154 1.00 42.42 C ATOM 546 C THR A 35 20.036 18.244 -0.455 1.00 61.30 C ATOM 547 O THR A 35 18.918 18.262 -0.970 1.00 73.32 O ATOM 548 CB THR A 35 21.504 16.465 -1.408 1.00 71.04 C ATOM 549 OG1 THR A 35 20.672 15.619 -2.210 1.00 22.42 O ATOM 550 CG2 THR A 35 22.773 15.720 -1.024 1.00 22.13 C ATOM 0 H THR A 35 18.820 16.091 0.004 1.00 33.44 H new ATOM 0 HA THR A 35 21.443 17.067 0.663 1.00 42.42 H new ATOM 0 HB THR A 35 21.781 17.350 -1.981 1.00 71.04 H new ATOM 0 HG1 THR A 35 21.167 15.333 -3.006 1.00 22.42 H new ATOM 0 HG21 THR A 35 23.298 15.407 -1.926 1.00 22.13 H new ATOM 0 HG22 THR A 35 23.417 16.376 -0.439 1.00 22.13 H new ATOM 0 HG23 THR A 35 22.515 14.842 -0.431 1.00 22.13 H new ATOM 558 N HIS A 36 20.701 19.348 -0.131 1.00 42.11 N ATOM 559 CA HIS A 36 20.142 20.674 -0.368 1.00 44.44 C ATOM 560 C HIS A 36 20.878 21.378 -1.505 1.00 13.31 C ATOM 561 O HIS A 36 22.025 21.064 -1.823 1.00 52.31 O ATOM 562 CB HIS A 36 20.219 21.518 0.904 1.00 10.42 C ATOM 563 CG HIS A 36 21.541 21.430 1.603 1.00 52.12 C ATOM 564 ND1 HIS A 36 22.741 21.329 0.932 1.00 23.50 N ATOM 565 CD2 HIS A 36 21.847 21.430 2.921 1.00 1.42 C ATOM 566 CE1 HIS A 36 23.729 21.268 1.808 1.00 54.44 C ATOM 567 NE2 HIS A 36 23.213 21.329 3.022 1.00 32.20 N ATOM 0 H HIS A 36 21.627 19.351 0.296 1.00 42.11 H new ATOM 0 HA HIS A 36 19.097 20.555 -0.653 1.00 44.44 H new ATOM 0 HB2 HIS A 36 20.020 22.559 0.652 1.00 10.42 H new ATOM 0 HB3 HIS A 36 19.433 21.200 1.589 1.00 10.42 H new ATOM 0 HD1 HIS A 36 22.850 21.305 -0.082 1.00 23.50 H new ATOM 0 HD2 HIS A 36 21.147 21.497 3.741 1.00 1.42 H new ATOM 0 HE1 HIS A 36 24.779 21.183 1.571 1.00 54.44 H new ATOM 575 N PRO A 37 20.203 22.353 -2.133 1.00 22.02 N ATOM 576 CA PRO A 37 20.773 23.121 -3.244 1.00 2.24 C ATOM 577 C PRO A 37 21.892 24.053 -2.790 1.00 52.11 C ATOM 578 O PRO A 37 22.219 24.114 -1.605 1.00 4.30 O ATOM 579 CB PRO A 37 19.582 23.929 -3.764 1.00 50.31 C ATOM 580 CG PRO A 37 18.666 24.050 -2.595 1.00 62.22 C ATOM 581 CD PRO A 37 18.832 22.780 -1.806 1.00 44.44 C ATOM 0 HA PRO A 37 21.228 22.475 -3.995 1.00 2.24 H new ATOM 0 HB2 PRO A 37 19.896 24.909 -4.124 1.00 50.31 H new ATOM 0 HB3 PRO A 37 19.095 23.424 -4.598 1.00 50.31 H new ATOM 0 HG2 PRO A 37 18.918 24.921 -1.990 1.00 62.22 H new ATOM 0 HG3 PRO A 37 17.633 24.176 -2.920 1.00 62.22 H new ATOM 0 HD2 PRO A 37 18.709 22.952 -0.737 1.00 44.44 H new ATOM 0 HD3 PRO A 37 18.097 22.028 -2.095 1.00 44.44 H new ATOM 589 N ASP A 38 22.474 24.777 -3.740 1.00 14.12 N ATOM 590 CA ASP A 38 23.555 25.708 -3.437 1.00 71.33 C ATOM 591 C ASP A 38 24.657 25.019 -2.639 1.00 64.22 C ATOM 592 O ASP A 38 24.615 24.980 -1.410 1.00 23.44 O ATOM 593 CB ASP A 38 23.019 26.910 -2.658 1.00 60.30 C ATOM 594 CG ASP A 38 24.109 27.641 -1.900 1.00 45.44 C ATOM 595 OD1 ASP A 38 24.156 27.516 -0.659 1.00 24.24 O ATOM 596 OD2 ASP A 38 24.917 28.339 -2.549 1.00 74.24 O ATOM 0 H ASP A 38 22.215 24.737 -4.726 1.00 14.12 H new ATOM 0 HA ASP A 38 23.977 26.056 -4.380 1.00 71.33 H new ATOM 0 HB2 ASP A 38 22.535 27.601 -3.349 1.00 60.30 H new ATOM 0 HB3 ASP A 38 22.256 26.574 -1.957 1.00 60.30 H new ATOM 601 N SER A 39 25.643 24.476 -3.347 1.00 75.32 N ATOM 602 CA SER A 39 26.754 23.784 -2.705 1.00 71.31 C ATOM 603 C SER A 39 27.764 23.301 -3.741 1.00 65.31 C ATOM 604 O SER A 39 27.451 22.464 -4.589 1.00 5.25 O ATOM 605 CB SER A 39 26.240 22.598 -1.886 1.00 55.14 C ATOM 606 OG SER A 39 27.313 21.814 -1.394 1.00 54.40 O ATOM 0 H SER A 39 25.695 24.502 -4.365 1.00 75.32 H new ATOM 0 HA SER A 39 27.251 24.488 -2.038 1.00 71.31 H new ATOM 0 HB2 SER A 39 25.639 22.961 -1.052 1.00 55.14 H new ATOM 0 HB3 SER A 39 25.588 21.981 -2.504 1.00 55.14 H new ATOM 0 HG SER A 39 27.053 21.399 -0.545 1.00 54.40 H new ATOM 612 N LYS A 40 28.979 23.834 -3.667 1.00 22.12 N ATOM 613 CA LYS A 40 30.038 23.458 -4.596 1.00 4.42 C ATOM 614 C LYS A 40 30.524 22.039 -4.322 1.00 21.41 C ATOM 615 O LYS A 40 30.568 21.203 -5.225 1.00 34.55 O ATOM 616 CB LYS A 40 31.209 24.438 -4.490 1.00 51.51 C ATOM 617 CG LYS A 40 31.963 24.629 -5.795 1.00 34.20 C ATOM 618 CD LYS A 40 33.313 23.933 -5.765 1.00 41.05 C ATOM 619 CE LYS A 40 33.966 23.925 -7.139 1.00 41.11 C ATOM 620 NZ LYS A 40 34.674 22.643 -7.409 1.00 44.32 N ATOM 0 H LYS A 40 29.255 24.528 -2.973 1.00 22.12 H new ATOM 0 HA LYS A 40 29.630 23.495 -5.606 1.00 4.42 H new ATOM 0 HB2 LYS A 40 30.834 25.404 -4.152 1.00 51.51 H new ATOM 0 HB3 LYS A 40 31.902 24.081 -3.728 1.00 51.51 H new ATOM 0 HG2 LYS A 40 31.369 24.237 -6.620 1.00 34.20 H new ATOM 0 HG3 LYS A 40 32.105 25.693 -5.982 1.00 34.20 H new ATOM 0 HD2 LYS A 40 33.967 24.436 -5.053 1.00 41.05 H new ATOM 0 HD3 LYS A 40 33.188 22.909 -5.414 1.00 41.05 H new ATOM 0 HE2 LYS A 40 33.206 24.088 -7.903 1.00 41.11 H new ATOM 0 HE3 LYS A 40 34.672 24.752 -7.210 1.00 41.11 H new ATOM 0 HZ1 LYS A 40 35.105 22.677 -8.355 1.00 44.32 H new ATOM 0 HZ2 LYS A 40 35.416 22.499 -6.695 1.00 44.32 H new ATOM 0 HZ3 LYS A 40 33.995 21.856 -7.366 1.00 44.32 H new ATOM 634 N ARG A 41 30.887 21.773 -3.071 1.00 51.12 N ATOM 635 CA ARG A 41 31.369 20.454 -2.679 1.00 50.22 C ATOM 636 C ARG A 41 30.314 19.386 -2.952 1.00 14.41 C ATOM 637 O ARG A 41 30.629 18.202 -3.062 1.00 71.42 O ATOM 638 CB ARG A 41 31.747 20.446 -1.197 1.00 23.20 C ATOM 639 CG ARG A 41 33.220 20.721 -0.943 1.00 24.22 C ATOM 640 CD ARG A 41 33.589 20.478 0.512 1.00 4.03 C ATOM 641 NE ARG A 41 33.689 19.054 0.822 1.00 51.25 N ATOM 642 CZ ARG A 41 34.145 18.583 1.977 1.00 42.23 C ATOM 643 NH1 ARG A 41 34.541 19.419 2.927 1.00 64.40 N ATOM 644 NH2 ARG A 41 34.205 17.274 2.183 1.00 24.24 N ATOM 0 H ARG A 41 30.856 22.454 -2.312 1.00 51.12 H new ATOM 0 HA ARG A 41 32.253 20.226 -3.274 1.00 50.22 H new ATOM 0 HB2 ARG A 41 31.151 21.194 -0.675 1.00 23.20 H new ATOM 0 HB3 ARG A 41 31.488 19.477 -0.770 1.00 23.20 H new ATOM 0 HG2 ARG A 41 33.827 20.082 -1.585 1.00 24.22 H new ATOM 0 HG3 ARG A 41 33.450 21.752 -1.211 1.00 24.22 H new ATOM 0 HD2 ARG A 41 34.540 20.964 0.731 1.00 4.03 H new ATOM 0 HD3 ARG A 41 32.840 20.938 1.157 1.00 4.03 H new ATOM 0 HE ARG A 41 33.392 18.384 0.112 1.00 51.25 H new ATOM 0 HH11 ARG A 41 34.496 20.426 2.771 1.00 64.40 H new ATOM 0 HH12 ARG A 41 34.891 19.055 3.813 1.00 64.40 H new ATOM 0 HH21 ARG A 41 33.901 16.629 1.454 1.00 24.24 H new ATOM 0 HH22 ARG A 41 34.555 16.913 3.070 1.00 24.24 H new ATOM 658 N SER A 42 29.060 19.815 -3.059 1.00 32.42 N ATOM 659 CA SER A 42 27.957 18.895 -3.314 1.00 42.10 C ATOM 660 C SER A 42 27.013 19.459 -4.371 1.00 51.42 C ATOM 661 O SER A 42 26.148 20.283 -4.072 1.00 74.42 O ATOM 662 CB SER A 42 27.187 18.618 -2.022 1.00 31.24 C ATOM 663 OG SER A 42 28.056 18.171 -0.996 1.00 22.52 O ATOM 0 H SER A 42 28.783 20.793 -2.973 1.00 32.42 H new ATOM 0 HA SER A 42 28.375 17.960 -3.687 1.00 42.10 H new ATOM 0 HB2 SER A 42 26.674 19.524 -1.699 1.00 31.24 H new ATOM 0 HB3 SER A 42 26.420 17.866 -2.206 1.00 31.24 H new ATOM 0 HG SER A 42 27.540 18.002 -0.180 1.00 22.52 H new ATOM 669 N LYS A 43 27.186 19.010 -5.610 1.00 14.53 N ATOM 670 CA LYS A 43 26.350 19.468 -6.713 1.00 73.24 C ATOM 671 C LYS A 43 26.749 18.785 -8.017 1.00 74.55 C ATOM 672 O LYS A 43 25.903 18.509 -8.868 1.00 12.32 O ATOM 673 CB LYS A 43 26.458 20.987 -6.867 1.00 62.41 C ATOM 674 CG LYS A 43 25.828 21.515 -8.144 1.00 15.33 C ATOM 675 CD LYS A 43 25.941 23.028 -8.237 1.00 31.33 C ATOM 676 CE LYS A 43 24.970 23.598 -9.260 1.00 24.51 C ATOM 677 NZ LYS A 43 25.564 24.737 -10.013 1.00 11.13 N ATOM 0 H LYS A 43 27.898 18.329 -5.875 1.00 14.53 H new ATOM 0 HA LYS A 43 25.317 19.205 -6.486 1.00 73.24 H new ATOM 0 HB2 LYS A 43 25.981 21.465 -6.012 1.00 62.41 H new ATOM 0 HB3 LYS A 43 27.510 21.272 -6.846 1.00 62.41 H new ATOM 0 HG2 LYS A 43 26.314 21.059 -9.006 1.00 15.33 H new ATOM 0 HG3 LYS A 43 24.778 21.225 -8.180 1.00 15.33 H new ATOM 0 HD2 LYS A 43 25.743 23.469 -7.260 1.00 31.33 H new ATOM 0 HD3 LYS A 43 26.960 23.302 -8.509 1.00 31.33 H new ATOM 0 HE2 LYS A 43 24.677 22.814 -9.958 1.00 24.51 H new ATOM 0 HE3 LYS A 43 24.063 23.930 -8.754 1.00 24.51 H new ATOM 0 HZ1 LYS A 43 24.872 25.098 -10.700 1.00 11.13 H new ATOM 0 HZ2 LYS A 43 25.821 25.496 -9.349 1.00 11.13 H new ATOM 0 HZ3 LYS A 43 26.415 24.414 -10.516 1.00 11.13 H new ATOM 691 N GLU A 44 28.041 18.513 -8.167 1.00 23.33 N ATOM 692 CA GLU A 44 28.550 17.861 -9.368 1.00 24.24 C ATOM 693 C GLU A 44 28.193 16.377 -9.374 1.00 43.22 C ATOM 694 O GLU A 44 27.837 15.818 -10.412 1.00 44.41 O ATOM 695 CB GLU A 44 30.068 18.032 -9.463 1.00 70.21 C ATOM 696 CG GLU A 44 30.536 19.459 -9.231 1.00 35.31 C ATOM 697 CD GLU A 44 31.474 19.949 -10.316 1.00 64.21 C ATOM 698 OE1 GLU A 44 32.271 19.132 -10.824 1.00 21.12 O ATOM 699 OE2 GLU A 44 31.413 21.148 -10.657 1.00 51.35 O ATOM 0 H GLU A 44 28.754 18.734 -7.472 1.00 23.33 H new ATOM 0 HA GLU A 44 28.083 18.333 -10.233 1.00 24.24 H new ATOM 0 HB2 GLU A 44 30.545 17.379 -8.732 1.00 70.21 H new ATOM 0 HB3 GLU A 44 30.401 17.705 -10.448 1.00 70.21 H new ATOM 0 HG2 GLU A 44 29.669 20.118 -9.181 1.00 35.31 H new ATOM 0 HG3 GLU A 44 31.039 19.520 -8.266 1.00 35.31 H new ATOM 706 N ILE A 45 28.292 15.746 -8.209 1.00 72.11 N ATOM 707 CA ILE A 45 27.979 14.328 -8.080 1.00 51.13 C ATOM 708 C ILE A 45 26.500 14.065 -8.343 1.00 40.41 C ATOM 709 O ILE A 45 26.086 12.922 -8.537 1.00 14.32 O ATOM 710 CB ILE A 45 28.343 13.796 -6.681 1.00 54.25 C ATOM 711 CG1 ILE A 45 27.624 14.607 -5.601 1.00 4.11 C ATOM 712 CG2 ILE A 45 29.849 13.842 -6.472 1.00 51.25 C ATOM 713 CD1 ILE A 45 26.224 14.117 -5.308 1.00 74.34 C ATOM 0 H ILE A 45 28.586 16.194 -7.341 1.00 72.11 H new ATOM 0 HA ILE A 45 28.577 13.804 -8.826 1.00 51.13 H new ATOM 0 HB ILE A 45 28.018 12.758 -6.607 1.00 54.25 H new ATOM 0 HG12 ILE A 45 28.211 14.575 -4.683 1.00 4.11 H new ATOM 0 HG13 ILE A 45 27.577 15.650 -5.913 1.00 4.11 H new ATOM 0 HG21 ILE A 45 30.090 13.463 -5.479 1.00 51.25 H new ATOM 0 HG22 ILE A 45 30.340 13.225 -7.225 1.00 51.25 H new ATOM 0 HG23 ILE A 45 30.198 14.871 -6.562 1.00 51.25 H new ATOM 0 HD11 ILE A 45 25.776 14.739 -4.533 1.00 74.34 H new ATOM 0 HD12 ILE A 45 25.621 14.175 -6.214 1.00 74.34 H new ATOM 0 HD13 ILE A 45 26.265 13.083 -4.965 1.00 74.34 H new ATOM 725 N LYS A 46 25.707 15.132 -8.350 1.00 65.22 N ATOM 726 CA LYS A 46 24.274 15.019 -8.592 1.00 61.15 C ATOM 727 C LYS A 46 23.997 14.185 -9.839 1.00 61.03 C ATOM 728 O LYS A 46 23.129 13.313 -9.833 1.00 23.33 O ATOM 729 CB LYS A 46 23.651 16.408 -8.746 1.00 40.24 C ATOM 730 CG LYS A 46 23.501 17.156 -7.433 1.00 52.31 C ATOM 731 CD LYS A 46 22.041 17.428 -7.110 1.00 42.41 C ATOM 732 CE LYS A 46 21.884 18.670 -6.246 1.00 34.02 C ATOM 733 NZ LYS A 46 21.206 18.365 -4.955 1.00 41.12 N ATOM 0 H LYS A 46 26.033 16.085 -8.191 1.00 65.22 H new ATOM 0 HA LYS A 46 23.824 14.519 -7.734 1.00 61.15 H new ATOM 0 HB2 LYS A 46 24.266 17.000 -9.423 1.00 40.24 H new ATOM 0 HB3 LYS A 46 22.670 16.308 -9.211 1.00 40.24 H new ATOM 0 HG2 LYS A 46 23.950 16.574 -6.628 1.00 52.31 H new ATOM 0 HG3 LYS A 46 24.045 18.099 -7.486 1.00 52.31 H new ATOM 0 HD2 LYS A 46 21.480 17.554 -8.036 1.00 42.41 H new ATOM 0 HD3 LYS A 46 21.615 16.568 -6.594 1.00 42.41 H new ATOM 0 HE2 LYS A 46 22.865 19.101 -6.048 1.00 34.02 H new ATOM 0 HE3 LYS A 46 21.310 19.420 -6.789 1.00 34.02 H new ATOM 0 HZ1 LYS A 46 21.118 19.237 -4.395 1.00 41.12 H new ATOM 0 HZ2 LYS A 46 20.260 17.977 -5.143 1.00 41.12 H new ATOM 0 HZ3 LYS A 46 21.767 17.668 -4.425 1.00 41.12 H new ATOM 747 N GLU A 47 24.741 14.459 -10.906 1.00 62.24 N ATOM 748 CA GLU A 47 24.575 13.732 -12.160 1.00 12.33 C ATOM 749 C GLU A 47 25.114 12.310 -12.040 1.00 34.44 C ATOM 750 O GLU A 47 24.630 11.392 -12.703 1.00 20.12 O ATOM 751 CB GLU A 47 25.288 14.465 -13.298 1.00 73.02 C ATOM 752 CG GLU A 47 24.972 13.904 -14.675 1.00 11.43 C ATOM 753 CD GLU A 47 24.966 14.972 -15.752 1.00 24.40 C ATOM 754 OE1 GLU A 47 23.866 15.415 -16.142 1.00 35.34 O ATOM 755 OE2 GLU A 47 26.062 15.363 -16.205 1.00 52.44 O ATOM 0 H GLU A 47 25.464 15.178 -10.928 1.00 62.24 H new ATOM 0 HA GLU A 47 23.509 13.680 -12.382 1.00 12.33 H new ATOM 0 HB2 GLU A 47 25.009 15.518 -13.271 1.00 73.02 H new ATOM 0 HB3 GLU A 47 26.364 14.416 -13.133 1.00 73.02 H new ATOM 0 HG2 GLU A 47 25.707 13.140 -14.930 1.00 11.43 H new ATOM 0 HG3 GLU A 47 23.999 13.414 -14.649 1.00 11.43 H new ATOM 762 N LYS A 48 26.119 12.134 -11.189 1.00 1.11 N ATOM 763 CA LYS A 48 26.725 10.824 -10.980 1.00 0.54 C ATOM 764 C LYS A 48 25.671 9.793 -10.589 1.00 51.35 C ATOM 765 O LYS A 48 25.628 8.694 -11.144 1.00 13.21 O ATOM 766 CB LYS A 48 27.801 10.905 -9.894 1.00 40.13 C ATOM 767 CG LYS A 48 29.046 10.095 -10.211 1.00 43.10 C ATOM 768 CD LYS A 48 30.136 10.963 -10.818 1.00 24.45 C ATOM 769 CE LYS A 48 31.473 10.238 -10.847 1.00 64.12 C ATOM 770 NZ LYS A 48 32.609 11.156 -10.554 1.00 54.10 N ATOM 0 H LYS A 48 26.531 12.883 -10.632 1.00 1.11 H new ATOM 0 HA LYS A 48 27.185 10.510 -11.917 1.00 0.54 H new ATOM 0 HB2 LYS A 48 28.083 11.948 -9.751 1.00 40.13 H new ATOM 0 HB3 LYS A 48 27.381 10.556 -8.951 1.00 40.13 H new ATOM 0 HG2 LYS A 48 29.418 9.626 -9.300 1.00 43.10 H new ATOM 0 HG3 LYS A 48 28.792 9.291 -10.902 1.00 43.10 H new ATOM 0 HD2 LYS A 48 29.853 11.248 -11.831 1.00 24.45 H new ATOM 0 HD3 LYS A 48 30.232 11.884 -10.243 1.00 24.45 H new ATOM 0 HE2 LYS A 48 31.463 9.428 -10.117 1.00 64.12 H new ATOM 0 HE3 LYS A 48 31.618 9.782 -11.827 1.00 64.12 H new ATOM 0 HZ1 LYS A 48 33.502 10.624 -10.583 1.00 54.10 H new ATOM 0 HZ2 LYS A 48 32.635 11.915 -11.265 1.00 54.10 H new ATOM 0 HZ3 LYS A 48 32.485 11.572 -9.609 1.00 54.10 H new ATOM 784 N LEU A 49 24.822 10.155 -9.634 1.00 32.41 N ATOM 785 CA LEU A 49 23.766 9.261 -9.171 1.00 31.03 C ATOM 786 C LEU A 49 22.618 9.209 -10.174 1.00 33.25 C ATOM 787 O LEU A 49 21.984 8.169 -10.355 1.00 62.22 O ATOM 788 CB LEU A 49 23.246 9.718 -7.806 1.00 61.34 C ATOM 789 CG LEU A 49 22.361 8.721 -7.057 1.00 64.31 C ATOM 790 CD1 LEU A 49 23.182 7.534 -6.578 1.00 25.24 C ATOM 791 CD2 LEU A 49 21.667 9.399 -5.885 1.00 40.55 C ATOM 0 H LEU A 49 24.844 11.061 -9.165 1.00 32.41 H new ATOM 0 HA LEU A 49 24.187 8.260 -9.076 1.00 31.03 H new ATOM 0 HB2 LEU A 49 24.102 9.959 -7.175 1.00 61.34 H new ATOM 0 HB3 LEU A 49 22.683 10.641 -7.944 1.00 61.34 H new ATOM 0 HG LEU A 49 21.597 8.356 -7.743 1.00 64.31 H new ATOM 0 HD11 LEU A 49 22.536 6.835 -6.047 1.00 25.24 H new ATOM 0 HD12 LEU A 49 23.632 7.033 -7.435 1.00 25.24 H new ATOM 0 HD13 LEU A 49 23.968 7.882 -5.908 1.00 25.24 H new ATOM 0 HD21 LEU A 49 21.042 8.674 -5.364 1.00 40.55 H new ATOM 0 HD22 LEU A 49 22.415 9.793 -5.198 1.00 40.55 H new ATOM 0 HD23 LEU A 49 21.046 10.216 -6.253 1.00 40.55 H new ATOM 803 N LYS A 50 22.356 10.337 -10.824 1.00 52.23 N ATOM 804 CA LYS A 50 21.287 10.421 -11.812 1.00 74.32 C ATOM 805 C LYS A 50 21.562 9.494 -12.992 1.00 20.22 C ATOM 806 O LYS A 50 20.653 8.845 -13.511 1.00 2.13 O ATOM 807 CB LYS A 50 21.132 11.861 -12.307 1.00 25.24 C ATOM 808 CG LYS A 50 19.714 12.393 -12.198 1.00 30.32 C ATOM 809 CD LYS A 50 19.598 13.793 -12.775 1.00 52.35 C ATOM 810 CE LYS A 50 18.274 14.442 -12.402 1.00 0.44 C ATOM 811 NZ LYS A 50 17.596 15.041 -13.585 1.00 32.53 N ATOM 0 H LYS A 50 22.870 11.207 -10.684 1.00 52.23 H new ATOM 0 HA LYS A 50 20.360 10.106 -11.333 1.00 74.32 H new ATOM 0 HB2 LYS A 50 21.798 12.507 -11.735 1.00 25.24 H new ATOM 0 HB3 LYS A 50 21.452 11.915 -13.348 1.00 25.24 H new ATOM 0 HG2 LYS A 50 19.032 11.724 -12.723 1.00 30.32 H new ATOM 0 HG3 LYS A 50 19.408 12.403 -11.152 1.00 30.32 H new ATOM 0 HD2 LYS A 50 20.421 14.407 -12.410 1.00 52.35 H new ATOM 0 HD3 LYS A 50 19.690 13.749 -13.860 1.00 52.35 H new ATOM 0 HE2 LYS A 50 17.620 13.698 -11.947 1.00 0.44 H new ATOM 0 HE3 LYS A 50 18.447 15.215 -11.653 1.00 0.44 H new ATOM 0 HZ1 LYS A 50 16.698 15.473 -13.288 1.00 32.53 H new ATOM 0 HZ2 LYS A 50 18.209 15.769 -14.004 1.00 32.53 H new ATOM 0 HZ3 LYS A 50 17.408 14.300 -14.290 1.00 32.53 H new ATOM 825 N LYS A 51 22.822 9.435 -13.410 1.00 73.25 N ATOM 826 CA LYS A 51 23.218 8.585 -14.527 1.00 43.21 C ATOM 827 C LYS A 51 23.120 7.110 -14.150 1.00 54.45 C ATOM 828 O LYS A 51 22.783 6.268 -14.983 1.00 63.55 O ATOM 829 CB LYS A 51 24.647 8.916 -14.964 1.00 41.32 C ATOM 830 CG LYS A 51 24.777 9.206 -16.450 1.00 21.44 C ATOM 831 CD LYS A 51 26.217 9.077 -16.919 1.00 14.42 C ATOM 832 CE LYS A 51 26.800 10.428 -17.303 1.00 0.50 C ATOM 833 NZ LYS A 51 26.433 10.816 -18.693 1.00 53.31 N ATOM 0 H LYS A 51 23.586 9.966 -12.992 1.00 73.25 H new ATOM 0 HA LYS A 51 22.537 8.776 -15.356 1.00 43.21 H new ATOM 0 HB2 LYS A 51 24.999 9.781 -14.401 1.00 41.32 H new ATOM 0 HB3 LYS A 51 25.299 8.081 -14.707 1.00 41.32 H new ATOM 0 HG2 LYS A 51 24.147 8.517 -17.013 1.00 21.44 H new ATOM 0 HG3 LYS A 51 24.414 10.212 -16.658 1.00 21.44 H new ATOM 0 HD2 LYS A 51 26.820 8.631 -16.128 1.00 14.42 H new ATOM 0 HD3 LYS A 51 26.263 8.403 -17.774 1.00 14.42 H new ATOM 0 HE2 LYS A 51 26.444 11.188 -16.608 1.00 0.50 H new ATOM 0 HE3 LYS A 51 27.886 10.395 -17.210 1.00 0.50 H new ATOM 0 HZ1 LYS A 51 26.850 11.742 -18.916 1.00 53.31 H new ATOM 0 HZ2 LYS A 51 26.795 10.104 -19.359 1.00 53.31 H new ATOM 0 HZ3 LYS A 51 25.398 10.873 -18.776 1.00 53.31 H new ATOM 847 N LEU A 52 23.413 6.805 -12.891 1.00 40.24 N ATOM 848 CA LEU A 52 23.356 5.431 -12.404 1.00 13.42 C ATOM 849 C LEU A 52 22.007 4.795 -12.725 1.00 42.34 C ATOM 850 O LEU A 52 21.905 3.579 -12.882 1.00 42.02 O ATOM 851 CB LEU A 52 23.603 5.394 -10.895 1.00 11.34 C ATOM 852 CG LEU A 52 23.478 4.024 -10.227 1.00 55.24 C ATOM 853 CD1 LEU A 52 24.435 3.913 -9.051 1.00 45.55 C ATOM 854 CD2 LEU A 52 22.045 3.780 -9.776 1.00 1.14 C ATOM 0 H LEU A 52 23.692 7.490 -12.189 1.00 40.24 H new ATOM 0 HA LEU A 52 24.136 4.860 -12.908 1.00 13.42 H new ATOM 0 HB2 LEU A 52 24.604 5.780 -10.701 1.00 11.34 H new ATOM 0 HB3 LEU A 52 22.900 6.075 -10.415 1.00 11.34 H new ATOM 0 HG LEU A 52 23.744 3.260 -10.957 1.00 55.24 H new ATOM 0 HD11 LEU A 52 24.331 2.931 -8.589 1.00 45.55 H new ATOM 0 HD12 LEU A 52 25.459 4.043 -9.402 1.00 45.55 H new ATOM 0 HD13 LEU A 52 24.202 4.685 -8.318 1.00 45.55 H new ATOM 0 HD21 LEU A 52 21.974 2.801 -9.303 1.00 1.14 H new ATOM 0 HD22 LEU A 52 21.752 4.550 -9.062 1.00 1.14 H new ATOM 0 HD23 LEU A 52 21.381 3.815 -10.640 1.00 1.14 H new ATOM 866 N ALA A 53 20.975 5.627 -12.824 1.00 61.33 N ATOM 867 CA ALA A 53 19.634 5.146 -13.132 1.00 13.13 C ATOM 868 C ALA A 53 19.633 4.288 -14.392 1.00 45.35 C ATOM 869 O ALA A 53 18.771 3.429 -14.568 1.00 72.35 O ATOM 870 CB ALA A 53 18.676 6.318 -13.288 1.00 42.13 C ATOM 0 H ALA A 53 21.042 6.637 -12.695 1.00 61.33 H new ATOM 0 HA ALA A 53 19.299 4.524 -12.302 1.00 13.13 H new ATOM 0 HB1 ALA A 53 17.678 5.944 -13.518 1.00 42.13 H new ATOM 0 HB2 ALA A 53 18.645 6.889 -12.360 1.00 42.13 H new ATOM 0 HB3 ALA A 53 19.018 6.962 -14.098 1.00 42.13 H new ATOM 876 N GLU A 54 20.606 4.529 -15.267 1.00 32.34 N ATOM 877 CA GLU A 54 20.715 3.778 -16.512 1.00 4.01 C ATOM 878 C GLU A 54 21.354 2.413 -16.270 1.00 52.21 C ATOM 879 O GLU A 54 20.917 1.406 -16.825 1.00 60.24 O ATOM 880 CB GLU A 54 21.537 4.563 -17.536 1.00 41.42 C ATOM 881 CG GLU A 54 21.608 3.897 -18.900 1.00 13.02 C ATOM 882 CD GLU A 54 23.018 3.487 -19.276 1.00 61.52 C ATOM 883 OE1 GLU A 54 23.209 2.318 -19.674 1.00 51.23 O ATOM 884 OE2 GLU A 54 23.930 4.333 -19.173 1.00 25.43 O ATOM 0 H GLU A 54 21.328 5.237 -15.136 1.00 32.34 H new ATOM 0 HA GLU A 54 19.709 3.625 -16.904 1.00 4.01 H new ATOM 0 HB2 GLU A 54 21.106 5.558 -17.649 1.00 41.42 H new ATOM 0 HB3 GLU A 54 22.549 4.695 -17.153 1.00 41.42 H new ATOM 0 HG2 GLU A 54 20.964 3.017 -18.905 1.00 13.02 H new ATOM 0 HG3 GLU A 54 21.219 4.581 -19.655 1.00 13.02 H new ATOM 891 N GLU A 55 22.390 2.390 -15.438 1.00 44.31 N ATOM 892 CA GLU A 55 23.090 1.150 -15.124 1.00 73.11 C ATOM 893 C GLU A 55 22.143 0.139 -14.483 1.00 63.11 C ATOM 894 O GLU A 55 22.364 -1.070 -14.560 1.00 12.11 O ATOM 895 CB GLU A 55 24.269 1.426 -14.189 1.00 34.25 C ATOM 896 CG GLU A 55 23.930 1.258 -12.717 1.00 12.42 C ATOM 897 CD GLU A 55 24.093 -0.172 -12.240 1.00 2.34 C ATOM 898 OE1 GLU A 55 24.555 -1.014 -13.038 1.00 43.30 O ATOM 899 OE2 GLU A 55 23.759 -0.449 -11.069 1.00 1.11 O ATOM 0 H GLU A 55 22.763 3.216 -14.969 1.00 44.31 H new ATOM 0 HA GLU A 55 23.467 0.729 -16.056 1.00 73.11 H new ATOM 0 HB2 GLU A 55 25.089 0.754 -14.443 1.00 34.25 H new ATOM 0 HB3 GLU A 55 24.626 2.442 -14.358 1.00 34.25 H new ATOM 0 HG2 GLU A 55 24.571 1.910 -12.124 1.00 12.42 H new ATOM 0 HG3 GLU A 55 22.903 1.579 -12.546 1.00 12.42 H new ATOM 906 N PHE A 56 21.089 0.643 -13.850 1.00 61.13 N ATOM 907 CA PHE A 56 20.109 -0.215 -13.194 1.00 42.11 C ATOM 908 C PHE A 56 18.852 0.571 -12.836 1.00 15.43 C ATOM 909 O PHE A 56 18.634 0.953 -11.686 1.00 1.14 O ATOM 910 CB PHE A 56 20.710 -0.840 -11.933 1.00 41.23 C ATOM 911 CG PHE A 56 19.977 -2.063 -11.463 1.00 32.22 C ATOM 912 CD1 PHE A 56 19.597 -2.192 -10.137 1.00 22.35 C ATOM 913 CD2 PHE A 56 19.668 -3.085 -12.347 1.00 14.53 C ATOM 914 CE1 PHE A 56 18.922 -3.317 -9.700 1.00 51.32 C ATOM 915 CE2 PHE A 56 18.992 -4.211 -11.916 1.00 42.13 C ATOM 916 CZ PHE A 56 18.620 -4.328 -10.591 1.00 40.33 C ATOM 0 H PHE A 56 20.891 1.641 -13.777 1.00 61.13 H new ATOM 0 HA PHE A 56 19.835 -1.009 -13.889 1.00 42.11 H new ATOM 0 HB2 PHE A 56 21.750 -1.102 -12.127 1.00 41.23 H new ATOM 0 HB3 PHE A 56 20.712 -0.098 -11.135 1.00 41.23 H new ATOM 0 HD1 PHE A 56 19.831 -1.404 -9.436 1.00 22.35 H new ATOM 0 HD2 PHE A 56 19.959 -3.001 -13.384 1.00 14.53 H new ATOM 0 HE1 PHE A 56 18.631 -3.405 -8.664 1.00 51.32 H new ATOM 0 HE2 PHE A 56 18.755 -4.999 -12.615 1.00 42.13 H new ATOM 0 HZ PHE A 56 18.094 -5.208 -10.252 1.00 40.33 H new ATOM 926 N PRO A 57 18.003 0.820 -13.844 1.00 53.40 N ATOM 927 CA PRO A 57 16.752 1.563 -13.661 1.00 2.11 C ATOM 928 C PRO A 57 15.722 0.775 -12.859 1.00 2.44 C ATOM 929 O PRO A 57 14.674 1.304 -12.488 1.00 31.20 O ATOM 930 CB PRO A 57 16.259 1.785 -15.093 1.00 14.12 C ATOM 931 CG PRO A 57 16.866 0.675 -15.879 1.00 51.02 C ATOM 932 CD PRO A 57 18.198 0.395 -15.240 1.00 41.53 C ATOM 0 HA PRO A 57 16.904 2.485 -13.100 1.00 2.11 H new ATOM 0 HB2 PRO A 57 15.171 1.758 -15.146 1.00 14.12 H new ATOM 0 HB3 PRO A 57 16.573 2.757 -15.473 1.00 14.12 H new ATOM 0 HG2 PRO A 57 16.230 -0.210 -15.860 1.00 51.02 H new ATOM 0 HG3 PRO A 57 16.987 0.958 -16.925 1.00 51.02 H new ATOM 0 HD2 PRO A 57 18.461 -0.661 -15.306 1.00 41.53 H new ATOM 0 HD3 PRO A 57 19.000 0.954 -15.722 1.00 41.53 H new ATOM 940 N ASP A 58 16.028 -0.490 -12.593 1.00 53.13 N ATOM 941 CA ASP A 58 15.129 -1.350 -11.833 1.00 33.30 C ATOM 942 C ASP A 58 14.882 -0.782 -10.439 1.00 1.10 C ATOM 943 O ASP A 58 13.903 -1.130 -9.779 1.00 72.23 O ATOM 944 CB ASP A 58 15.708 -2.762 -11.727 1.00 12.14 C ATOM 945 CG ASP A 58 15.381 -3.424 -10.402 1.00 54.44 C ATOM 946 OD1 ASP A 58 16.048 -3.102 -9.397 1.00 2.20 O ATOM 947 OD2 ASP A 58 14.457 -4.263 -10.371 1.00 55.33 O ATOM 0 H ASP A 58 16.892 -0.942 -12.892 1.00 53.13 H new ATOM 0 HA ASP A 58 14.176 -1.395 -12.361 1.00 33.30 H new ATOM 0 HB2 ASP A 58 15.319 -3.373 -12.541 1.00 12.14 H new ATOM 0 HB3 ASP A 58 16.790 -2.718 -11.851 1.00 12.14 H new ATOM 952 N VAL A 59 15.778 0.095 -9.996 1.00 31.42 N ATOM 953 CA VAL A 59 15.658 0.712 -8.680 1.00 70.52 C ATOM 954 C VAL A 59 15.289 2.186 -8.796 1.00 42.24 C ATOM 955 O VAL A 59 15.753 2.884 -9.699 1.00 22.53 O ATOM 956 CB VAL A 59 16.967 0.583 -7.878 1.00 73.53 C ATOM 957 CG1 VAL A 59 18.023 1.532 -8.423 1.00 53.11 C ATOM 958 CG2 VAL A 59 16.714 0.844 -6.401 1.00 71.12 C ATOM 0 H VAL A 59 16.595 0.394 -10.529 1.00 31.42 H new ATOM 0 HA VAL A 59 14.864 0.182 -8.153 1.00 70.52 H new ATOM 0 HB VAL A 59 17.340 -0.436 -7.985 1.00 73.53 H new ATOM 0 HG11 VAL A 59 18.940 1.427 -7.844 1.00 53.11 H new ATOM 0 HG12 VAL A 59 18.223 1.292 -9.467 1.00 53.11 H new ATOM 0 HG13 VAL A 59 17.663 2.558 -8.349 1.00 53.11 H new ATOM 0 HG21 VAL A 59 17.649 0.749 -5.849 1.00 71.12 H new ATOM 0 HG22 VAL A 59 16.318 1.851 -6.272 1.00 71.12 H new ATOM 0 HG23 VAL A 59 15.994 0.119 -6.022 1.00 71.12 H new ATOM 968 N ASP A 60 14.452 2.655 -7.877 1.00 44.13 N ATOM 969 CA ASP A 60 14.022 4.048 -7.875 1.00 52.41 C ATOM 970 C ASP A 60 14.997 4.917 -7.086 1.00 53.25 C ATOM 971 O ASP A 60 15.543 4.488 -6.070 1.00 10.03 O ATOM 972 CB ASP A 60 12.617 4.169 -7.282 1.00 41.32 C ATOM 973 CG ASP A 60 12.550 3.681 -5.848 1.00 51.44 C ATOM 974 OD1 ASP A 60 12.509 2.450 -5.642 1.00 13.35 O ATOM 975 OD2 ASP A 60 12.539 4.531 -4.933 1.00 63.41 O ATOM 0 H ASP A 60 14.058 2.091 -7.124 1.00 44.13 H new ATOM 0 HA ASP A 60 14.004 4.399 -8.907 1.00 52.41 H new ATOM 0 HB2 ASP A 60 12.297 5.210 -7.324 1.00 41.32 H new ATOM 0 HB3 ASP A 60 11.918 3.596 -7.891 1.00 41.32 H new ATOM 980 N ILE A 61 15.211 6.139 -7.563 1.00 12.04 N ATOM 981 CA ILE A 61 16.120 7.067 -6.902 1.00 13.40 C ATOM 982 C ILE A 61 15.503 8.458 -6.795 1.00 42.00 C ATOM 983 O ILE A 61 15.481 9.215 -7.766 1.00 1.02 O ATOM 984 CB ILE A 61 17.462 7.169 -7.650 1.00 41.41 C ATOM 985 CG1 ILE A 61 18.112 5.789 -7.767 1.00 1.24 C ATOM 986 CG2 ILE A 61 18.392 8.141 -6.939 1.00 24.42 C ATOM 987 CD1 ILE A 61 18.322 5.339 -9.195 1.00 61.13 C ATOM 0 H ILE A 61 14.768 6.509 -8.404 1.00 12.04 H new ATOM 0 HA ILE A 61 16.300 6.674 -5.901 1.00 13.40 H new ATOM 0 HB ILE A 61 17.273 7.547 -8.655 1.00 41.41 H new ATOM 0 HG12 ILE A 61 19.074 5.805 -7.255 1.00 1.24 H new ATOM 0 HG13 ILE A 61 17.489 5.058 -7.252 1.00 1.24 H new ATOM 0 HG21 ILE A 61 19.336 8.202 -7.480 1.00 24.42 H new ATOM 0 HG22 ILE A 61 17.929 9.127 -6.904 1.00 24.42 H new ATOM 0 HG23 ILE A 61 18.577 7.791 -5.924 1.00 24.42 H new ATOM 0 HD11 ILE A 61 18.787 4.353 -9.201 1.00 61.13 H new ATOM 0 HD12 ILE A 61 17.361 5.290 -9.706 1.00 61.13 H new ATOM 0 HD13 ILE A 61 18.971 6.049 -9.709 1.00 61.13 H new ATOM 999 N TYR A 62 15.005 8.788 -5.609 1.00 1.52 N ATOM 1000 CA TYR A 62 14.387 10.088 -5.374 1.00 45.35 C ATOM 1001 C TYR A 62 15.227 10.925 -4.414 1.00 11.11 C ATOM 1002 O TYR A 62 15.734 10.420 -3.412 1.00 31.35 O ATOM 1003 CB TYR A 62 12.975 9.912 -4.814 1.00 62.31 C ATOM 1004 CG TYR A 62 12.895 8.919 -3.677 1.00 32.33 C ATOM 1005 CD1 TYR A 62 13.280 9.274 -2.390 1.00 11.32 C ATOM 1006 CD2 TYR A 62 12.435 7.625 -3.889 1.00 30.02 C ATOM 1007 CE1 TYR A 62 13.209 8.370 -1.348 1.00 11.35 C ATOM 1008 CE2 TYR A 62 12.359 6.715 -2.852 1.00 62.14 C ATOM 1009 CZ TYR A 62 12.747 7.092 -1.584 1.00 5.13 C ATOM 1010 OH TYR A 62 12.675 6.188 -0.549 1.00 11.01 O ATOM 0 H TYR A 62 15.017 8.173 -4.795 1.00 1.52 H new ATOM 0 HA TYR A 62 14.329 10.612 -6.328 1.00 45.35 H new ATOM 0 HB2 TYR A 62 12.607 10.878 -4.468 1.00 62.31 H new ATOM 0 HB3 TYR A 62 12.313 9.587 -5.616 1.00 62.31 H new ATOM 0 HD1 TYR A 62 13.641 10.274 -2.201 1.00 11.32 H new ATOM 0 HD2 TYR A 62 12.132 7.325 -4.881 1.00 30.02 H new ATOM 0 HE1 TYR A 62 13.514 8.662 -0.354 1.00 11.35 H new ATOM 0 HE2 TYR A 62 11.998 5.714 -3.034 1.00 62.14 H new ATOM 0 HH TYR A 62 12.328 5.335 -0.883 1.00 11.01 H new ATOM 1020 N LEU A 63 15.369 12.208 -4.727 1.00 10.20 N ATOM 1021 CA LEU A 63 16.146 13.118 -3.892 1.00 62.13 C ATOM 1022 C LEU A 63 15.240 13.890 -2.938 1.00 63.14 C ATOM 1023 O LEU A 63 14.074 14.141 -3.240 1.00 54.43 O ATOM 1024 CB LEU A 63 16.936 14.094 -4.766 1.00 10.11 C ATOM 1025 CG LEU A 63 16.115 14.933 -5.746 1.00 0.12 C ATOM 1026 CD1 LEU A 63 16.531 16.394 -5.676 1.00 12.30 C ATOM 1027 CD2 LEU A 63 16.269 14.400 -7.163 1.00 15.21 C ATOM 0 H LEU A 63 14.956 12.642 -5.553 1.00 10.20 H new ATOM 0 HA LEU A 63 16.843 12.524 -3.300 1.00 62.13 H new ATOM 0 HB2 LEU A 63 17.488 14.770 -4.113 1.00 10.11 H new ATOM 0 HB3 LEU A 63 17.674 13.527 -5.334 1.00 10.11 H new ATOM 0 HG LEU A 63 15.064 14.862 -5.464 1.00 0.12 H new ATOM 0 HD11 LEU A 63 15.936 16.976 -6.380 1.00 12.30 H new ATOM 0 HD12 LEU A 63 16.369 16.771 -4.666 1.00 12.30 H new ATOM 0 HD13 LEU A 63 17.587 16.484 -5.932 1.00 12.30 H new ATOM 0 HD21 LEU A 63 15.678 15.009 -7.847 1.00 15.21 H new ATOM 0 HD22 LEU A 63 17.318 14.441 -7.455 1.00 15.21 H new ATOM 0 HD23 LEU A 63 15.921 13.368 -7.203 1.00 15.21 H new ATOM 1039 N VAL A 64 15.786 14.265 -1.786 1.00 0.51 N ATOM 1040 CA VAL A 64 15.028 15.012 -0.789 1.00 5.13 C ATOM 1041 C VAL A 64 15.854 16.158 -0.216 1.00 5.40 C ATOM 1042 O VAL A 64 17.040 15.998 0.075 1.00 41.14 O ATOM 1043 CB VAL A 64 14.567 14.101 0.364 1.00 70.42 C ATOM 1044 CG1 VAL A 64 13.644 14.858 1.307 1.00 63.51 C ATOM 1045 CG2 VAL A 64 13.881 12.857 -0.183 1.00 2.55 C ATOM 0 H VAL A 64 16.750 14.064 -1.520 1.00 0.51 H new ATOM 0 HA VAL A 64 14.152 15.417 -1.296 1.00 5.13 H new ATOM 0 HB VAL A 64 15.444 13.786 0.929 1.00 70.42 H new ATOM 0 HG11 VAL A 64 13.329 14.198 2.115 1.00 63.51 H new ATOM 0 HG12 VAL A 64 14.173 15.715 1.724 1.00 63.51 H new ATOM 0 HG13 VAL A 64 12.768 15.204 0.759 1.00 63.51 H new ATOM 0 HG21 VAL A 64 13.561 12.224 0.645 1.00 2.55 H new ATOM 0 HG22 VAL A 64 13.012 13.150 -0.772 1.00 2.55 H new ATOM 0 HG23 VAL A 64 14.578 12.305 -0.814 1.00 2.55 H new ATOM 1055 N ASP A 65 15.220 17.315 -0.056 1.00 24.42 N ATOM 1056 CA ASP A 65 15.896 18.489 0.484 1.00 20.22 C ATOM 1057 C ASP A 65 15.904 18.458 2.009 1.00 22.44 C ATOM 1058 O ASP A 65 14.997 17.907 2.635 1.00 5.43 O ATOM 1059 CB ASP A 65 15.215 19.767 -0.008 1.00 64.25 C ATOM 1060 CG ASP A 65 13.709 19.720 0.154 1.00 72.24 C ATOM 1061 OD1 ASP A 65 13.179 20.474 0.996 1.00 34.14 O ATOM 1062 OD2 ASP A 65 13.060 18.930 -0.563 1.00 32.30 O ATOM 0 H ASP A 65 14.239 17.465 -0.293 1.00 24.42 H new ATOM 0 HA ASP A 65 16.928 18.477 0.133 1.00 20.22 H new ATOM 0 HB2 ASP A 65 15.610 20.621 0.543 1.00 64.25 H new ATOM 0 HB3 ASP A 65 15.460 19.924 -1.058 1.00 64.25 H new ATOM 1067 N THR A 66 16.935 19.051 2.603 1.00 42.10 N ATOM 1068 CA THR A 66 17.063 19.089 4.054 1.00 2.52 C ATOM 1069 C THR A 66 16.074 20.074 4.667 1.00 4.35 C ATOM 1070 O THR A 66 15.931 20.145 5.888 1.00 54.51 O ATOM 1071 CB THR A 66 18.491 19.479 4.482 1.00 14.03 C ATOM 1072 OG1 THR A 66 19.310 19.683 3.326 1.00 42.40 O ATOM 1073 CG2 THR A 66 19.105 18.400 5.362 1.00 42.54 C ATOM 0 H THR A 66 17.694 19.512 2.101 1.00 42.10 H new ATOM 0 HA THR A 66 16.844 18.085 4.417 1.00 2.52 H new ATOM 0 HB THR A 66 18.436 20.405 5.055 1.00 14.03 H new ATOM 0 HG1 THR A 66 20.202 19.312 3.488 1.00 42.40 H new ATOM 0 HG21 THR A 66 20.113 18.697 5.652 1.00 42.54 H new ATOM 0 HG22 THR A 66 18.494 18.268 6.255 1.00 42.54 H new ATOM 0 HG23 THR A 66 19.148 17.461 4.810 1.00 42.54 H new ATOM 1081 N SER A 67 15.394 20.832 3.813 1.00 2.22 N ATOM 1082 CA SER A 67 14.420 21.816 4.272 1.00 63.11 C ATOM 1083 C SER A 67 13.052 21.172 4.476 1.00 25.32 C ATOM 1084 O SER A 67 12.261 21.616 5.309 1.00 24.32 O ATOM 1085 CB SER A 67 14.311 22.964 3.266 1.00 20.25 C ATOM 1086 OG SER A 67 14.329 24.220 3.922 1.00 20.35 O ATOM 0 H SER A 67 15.499 20.784 2.800 1.00 2.22 H new ATOM 0 HA SER A 67 14.762 22.211 5.228 1.00 63.11 H new ATOM 0 HB2 SER A 67 15.136 22.909 2.556 1.00 20.25 H new ATOM 0 HB3 SER A 67 13.390 22.863 2.692 1.00 20.25 H new ATOM 0 HG SER A 67 14.260 24.937 3.258 1.00 20.35 H new ATOM 1092 N THR A 68 12.780 20.121 3.709 1.00 33.41 N ATOM 1093 CA THR A 68 11.508 19.415 3.804 1.00 61.14 C ATOM 1094 C THR A 68 11.472 18.509 5.029 1.00 71.21 C ATOM 1095 O THR A 68 10.403 18.089 5.470 1.00 22.23 O ATOM 1096 CB THR A 68 11.241 18.568 2.545 1.00 53.21 C ATOM 1097 OG1 THR A 68 12.474 18.057 2.027 1.00 31.45 O ATOM 1098 CG2 THR A 68 10.540 19.394 1.476 1.00 20.53 C ATOM 0 H THR A 68 13.423 19.740 3.015 1.00 33.41 H new ATOM 0 HA THR A 68 10.731 20.174 3.894 1.00 61.14 H new ATOM 0 HB THR A 68 10.593 17.737 2.824 1.00 53.21 H new ATOM 0 HG1 THR A 68 13.127 17.979 2.754 1.00 31.45 H new ATOM 0 HG21 THR A 68 10.362 18.775 0.597 1.00 20.53 H new ATOM 0 HG22 THR A 68 9.588 19.757 1.863 1.00 20.53 H new ATOM 0 HG23 THR A 68 11.167 20.242 1.202 1.00 20.53 H new ATOM 1106 N ASN A 69 12.647 18.212 5.574 1.00 31.24 N ATOM 1107 CA ASN A 69 12.749 17.355 6.750 1.00 30.11 C ATOM 1108 C ASN A 69 13.998 17.689 7.560 1.00 11.11 C ATOM 1109 O ASN A 69 14.937 16.899 7.654 1.00 63.24 O ATOM 1110 CB ASN A 69 12.777 15.883 6.333 1.00 34.02 C ATOM 1111 CG ASN A 69 13.948 15.561 5.425 1.00 13.21 C ATOM 1112 OD1 ASN A 69 14.945 14.986 5.860 1.00 21.42 O ATOM 1113 ND2 ASN A 69 13.831 15.933 4.155 1.00 22.25 N ATOM 0 H ASN A 69 13.541 18.552 5.221 1.00 31.24 H new ATOM 0 HA ASN A 69 11.874 17.532 7.375 1.00 30.11 H new ATOM 0 HB2 ASN A 69 12.829 15.257 7.224 1.00 34.02 H new ATOM 0 HB3 ASN A 69 11.846 15.635 5.823 1.00 34.02 H new ATOM 0 HD21 ASN A 69 14.587 15.744 3.497 1.00 22.25 H new ATOM 0 HD22 ASN A 69 12.985 16.408 3.838 1.00 22.25 H new ATOM 1120 N PRO A 70 14.010 18.888 8.161 1.00 42.32 N ATOM 1121 CA PRO A 70 15.137 19.354 8.975 1.00 52.54 C ATOM 1122 C PRO A 70 15.261 18.587 10.286 1.00 22.13 C ATOM 1123 O PRO A 70 16.366 18.307 10.749 1.00 64.52 O ATOM 1124 CB PRO A 70 14.796 20.822 9.244 1.00 2.32 C ATOM 1125 CG PRO A 70 13.312 20.893 9.135 1.00 21.01 C ATOM 1126 CD PRO A 70 12.925 19.881 8.092 1.00 11.23 C ATOM 0 HA PRO A 70 16.092 19.209 8.470 1.00 52.54 H new ATOM 0 HB2 PRO A 70 15.136 21.133 10.232 1.00 2.32 H new ATOM 0 HB3 PRO A 70 15.278 21.479 8.520 1.00 2.32 H new ATOM 0 HG2 PRO A 70 12.839 20.668 10.091 1.00 21.01 H new ATOM 0 HG3 PRO A 70 12.989 21.893 8.847 1.00 21.01 H new ATOM 0 HD2 PRO A 70 11.955 19.432 8.308 1.00 11.23 H new ATOM 0 HD3 PRO A 70 12.855 20.331 7.102 1.00 11.23 H new ATOM 1134 N GLU A 71 14.121 18.250 10.880 1.00 15.01 N ATOM 1135 CA GLU A 71 14.104 17.515 12.139 1.00 33.23 C ATOM 1136 C GLU A 71 14.501 16.057 11.924 1.00 55.24 C ATOM 1137 O GLU A 71 15.116 15.436 12.789 1.00 22.02 O ATOM 1138 CB GLU A 71 12.716 17.588 12.779 1.00 32.44 C ATOM 1139 CG GLU A 71 12.469 18.872 13.552 1.00 14.23 C ATOM 1140 CD GLU A 71 13.114 18.861 14.924 1.00 3.13 C ATOM 1141 OE1 GLU A 71 14.124 19.573 15.110 1.00 73.11 O ATOM 1142 OE2 GLU A 71 12.611 18.141 15.812 1.00 41.23 O ATOM 0 H GLU A 71 13.197 18.474 10.510 1.00 15.01 H new ATOM 0 HA GLU A 71 14.830 17.976 12.809 1.00 33.23 H new ATOM 0 HB2 GLU A 71 11.960 17.492 11.999 1.00 32.44 H new ATOM 0 HB3 GLU A 71 12.590 16.739 13.451 1.00 32.44 H new ATOM 0 HG2 GLU A 71 12.855 19.716 12.980 1.00 14.23 H new ATOM 0 HG3 GLU A 71 11.395 19.025 13.661 1.00 14.23 H new ATOM 1149 N ALA A 72 14.142 15.518 10.763 1.00 44.22 N ATOM 1150 CA ALA A 72 14.462 14.135 10.432 1.00 52.00 C ATOM 1151 C ALA A 72 15.945 13.849 10.642 1.00 33.42 C ATOM 1152 O ALA A 72 16.328 12.731 10.989 1.00 13.33 O ATOM 1153 CB ALA A 72 14.062 13.830 8.996 1.00 33.11 C ATOM 0 H ALA A 72 13.630 16.018 10.036 1.00 44.22 H new ATOM 0 HA ALA A 72 13.896 13.487 11.101 1.00 52.00 H new ATOM 0 HB1 ALA A 72 14.307 12.794 8.762 1.00 33.11 H new ATOM 0 HB2 ALA A 72 12.990 13.986 8.876 1.00 33.11 H new ATOM 0 HB3 ALA A 72 14.603 14.492 8.319 1.00 33.11 H new ATOM 1159 N ARG A 73 16.775 14.864 10.429 1.00 12.40 N ATOM 1160 CA ARG A 73 18.216 14.720 10.593 1.00 3.54 C ATOM 1161 C ARG A 73 18.554 14.187 11.982 1.00 25.33 C ATOM 1162 O ARG A 73 19.129 13.107 12.119 1.00 12.24 O ATOM 1163 CB ARG A 73 18.913 16.063 10.368 1.00 43.41 C ATOM 1164 CG ARG A 73 19.567 16.188 9.001 1.00 12.43 C ATOM 1165 CD ARG A 73 21.079 16.300 9.115 1.00 22.40 C ATOM 1166 NE ARG A 73 21.507 17.665 9.409 1.00 61.32 N ATOM 1167 CZ ARG A 73 22.753 18.096 9.245 1.00 31.32 C ATOM 1168 NH1 ARG A 73 23.688 17.273 8.792 1.00 24.30 N ATOM 1169 NH2 ARG A 73 23.065 19.353 9.534 1.00 32.55 N ATOM 0 H ARG A 73 16.474 15.796 10.142 1.00 12.40 H new ATOM 0 HA ARG A 73 18.571 14.005 9.851 1.00 3.54 H new ATOM 0 HB2 ARG A 73 18.185 16.865 10.488 1.00 43.41 H new ATOM 0 HB3 ARG A 73 19.671 16.203 11.138 1.00 43.41 H new ATOM 0 HG2 ARG A 73 19.310 15.321 8.393 1.00 12.43 H new ATOM 0 HG3 ARG A 73 19.174 17.065 8.487 1.00 12.43 H new ATOM 0 HD2 ARG A 73 21.434 15.632 9.900 1.00 22.40 H new ATOM 0 HD3 ARG A 73 21.538 15.969 8.183 1.00 22.40 H new ATOM 0 HE ARG A 73 20.811 18.323 9.759 1.00 61.32 H new ATOM 0 HH11 ARG A 73 23.452 16.306 8.568 1.00 24.30 H new ATOM 0 HH12 ARG A 73 24.644 17.606 8.667 1.00 24.30 H new ATOM 0 HH21 ARG A 73 22.348 19.989 9.882 1.00 32.55 H new ATOM 0 HH22 ARG A 73 24.022 19.683 9.408 1.00 32.55 H new ATOM 1183 N GLU A 74 18.194 14.951 13.008 1.00 4.35 N ATOM 1184 CA GLU A 74 18.461 14.555 14.386 1.00 3.02 C ATOM 1185 C GLU A 74 17.802 13.216 14.705 1.00 41.14 C ATOM 1186 O GLU A 74 18.275 12.468 15.560 1.00 34.14 O ATOM 1187 CB GLU A 74 17.958 15.627 15.355 1.00 21.12 C ATOM 1188 CG GLU A 74 19.058 16.527 15.892 1.00 43.12 C ATOM 1189 CD GLU A 74 18.519 17.800 16.515 1.00 33.20 C ATOM 1190 OE1 GLU A 74 19.163 18.858 16.354 1.00 74.22 O ATOM 1191 OE2 GLU A 74 17.454 17.738 17.164 1.00 53.22 O ATOM 0 H GLU A 74 17.717 15.847 12.911 1.00 4.35 H new ATOM 0 HA GLU A 74 19.539 14.447 14.503 1.00 3.02 H new ATOM 0 HB2 GLU A 74 17.213 16.241 14.849 1.00 21.12 H new ATOM 0 HB3 GLU A 74 17.456 15.141 16.192 1.00 21.12 H new ATOM 0 HG2 GLU A 74 19.638 15.981 16.636 1.00 43.12 H new ATOM 0 HG3 GLU A 74 19.740 16.784 15.081 1.00 43.12 H new ATOM 1198 N TRP A 75 16.709 12.922 14.011 1.00 53.23 N ATOM 1199 CA TRP A 75 15.984 11.674 14.220 1.00 74.05 C ATOM 1200 C TRP A 75 16.925 10.478 14.140 1.00 64.51 C ATOM 1201 O TRP A 75 16.741 9.483 14.842 1.00 61.23 O ATOM 1202 CB TRP A 75 14.867 11.530 13.184 1.00 30.43 C ATOM 1203 CG TRP A 75 13.754 10.632 13.633 1.00 71.54 C ATOM 1204 CD1 TRP A 75 13.119 10.654 14.841 1.00 14.43 C ATOM 1205 CD2 TRP A 75 13.147 9.577 12.878 1.00 52.11 C ATOM 1206 NE1 TRP A 75 12.153 9.678 14.883 1.00 21.35 N ATOM 1207 CE2 TRP A 75 12.150 9.004 13.691 1.00 33.41 C ATOM 1208 CE3 TRP A 75 13.347 9.063 11.594 1.00 53.10 C ATOM 1209 CZ2 TRP A 75 11.358 7.942 13.261 1.00 40.23 C ATOM 1210 CZ3 TRP A 75 12.560 8.009 11.168 1.00 4.44 C ATOM 1211 CH2 TRP A 75 11.576 7.459 11.999 1.00 35.42 C ATOM 0 H TRP A 75 16.305 13.530 13.299 1.00 53.23 H new ATOM 0 HA TRP A 75 15.545 11.700 15.217 1.00 74.05 H new ATOM 0 HB2 TRP A 75 14.461 12.516 12.959 1.00 30.43 H new ATOM 0 HB3 TRP A 75 15.288 11.140 12.258 1.00 30.43 H new ATOM 0 HD1 TRP A 75 13.343 11.338 15.646 1.00 14.43 H new ATOM 0 HE1 TRP A 75 11.538 9.487 15.674 1.00 21.35 H new ATOM 0 HE3 TRP A 75 14.103 9.482 10.946 1.00 53.10 H new ATOM 0 HZ2 TRP A 75 10.599 7.515 13.900 1.00 40.23 H new ATOM 0 HZ3 TRP A 75 12.707 7.603 10.178 1.00 4.44 H new ATOM 0 HH2 TRP A 75 10.977 6.637 11.637 1.00 35.42 H new ATOM 1222 N TYR A 76 17.934 10.580 13.282 1.00 41.31 N ATOM 1223 CA TYR A 76 18.904 9.505 13.110 1.00 74.04 C ATOM 1224 C TYR A 76 20.329 10.028 13.254 1.00 3.51 C ATOM 1225 O TYR A 76 21.295 9.308 13.004 1.00 11.43 O ATOM 1226 CB TYR A 76 18.727 8.845 11.741 1.00 51.10 C ATOM 1227 CG TYR A 76 19.508 7.560 11.583 1.00 34.11 C ATOM 1228 CD1 TYR A 76 19.346 6.512 12.481 1.00 62.53 C ATOM 1229 CD2 TYR A 76 20.407 7.394 10.537 1.00 1.23 C ATOM 1230 CE1 TYR A 76 20.058 5.336 12.341 1.00 72.31 C ATOM 1231 CE2 TYR A 76 21.122 6.221 10.389 1.00 52.41 C ATOM 1232 CZ TYR A 76 20.944 5.195 11.293 1.00 11.23 C ATOM 1233 OH TYR A 76 21.655 4.026 11.150 1.00 70.13 O ATOM 0 H TYR A 76 18.102 11.397 12.694 1.00 41.31 H new ATOM 0 HA TYR A 76 18.728 8.764 13.890 1.00 74.04 H new ATOM 0 HB2 TYR A 76 17.669 8.639 11.580 1.00 51.10 H new ATOM 0 HB3 TYR A 76 19.037 9.546 10.966 1.00 51.10 H new ATOM 0 HD1 TYR A 76 18.652 6.618 13.302 1.00 62.53 H new ATOM 0 HD2 TYR A 76 20.549 8.196 9.827 1.00 1.23 H new ATOM 0 HE1 TYR A 76 19.922 4.531 13.048 1.00 72.31 H new ATOM 0 HE2 TYR A 76 21.817 6.108 9.570 1.00 52.41 H new ATOM 0 HH TYR A 76 22.233 4.089 10.361 1.00 70.13 H new ATOM 1243 N ASN A 77 20.452 11.288 13.660 1.00 12.11 N ATOM 1244 CA ASN A 77 21.759 11.910 13.839 1.00 71.23 C ATOM 1245 C ASN A 77 22.620 11.733 12.592 1.00 41.42 C ATOM 1246 O ASN A 77 23.361 10.757 12.470 1.00 0.40 O ATOM 1247 CB ASN A 77 22.471 11.310 15.053 1.00 73.21 C ATOM 1248 CG ASN A 77 21.499 10.762 16.080 1.00 10.34 C ATOM 1249 OD1 ASN A 77 20.688 11.501 16.639 1.00 32.32 O ATOM 1250 ND2 ASN A 77 21.578 9.461 16.334 1.00 15.24 N ATOM 0 H ASN A 77 19.662 11.898 13.871 1.00 12.11 H new ATOM 0 HA ASN A 77 21.607 12.976 14.006 1.00 71.23 H new ATOM 0 HB2 ASN A 77 23.136 10.511 14.723 1.00 73.21 H new ATOM 0 HB3 ASN A 77 23.096 12.073 15.518 1.00 73.21 H new ATOM 0 HD21 ASN A 77 20.951 9.036 17.017 1.00 15.24 H new ATOM 0 HD22 ASN A 77 22.266 8.887 15.846 1.00 15.24 H new ATOM 1257 N ILE A 78 22.517 12.684 11.669 1.00 5.02 N ATOM 1258 CA ILE A 78 23.288 12.634 10.433 1.00 40.41 C ATOM 1259 C ILE A 78 24.409 13.668 10.442 1.00 25.32 C ATOM 1260 O ILE A 78 24.169 14.860 10.636 1.00 25.13 O ATOM 1261 CB ILE A 78 22.394 12.875 9.202 1.00 31.12 C ATOM 1262 CG1 ILE A 78 21.467 11.679 8.977 1.00 75.12 C ATOM 1263 CG2 ILE A 78 23.248 13.130 7.969 1.00 74.10 C ATOM 1264 CD1 ILE A 78 19.999 12.044 8.976 1.00 53.21 C ATOM 0 H ILE A 78 21.908 13.498 11.754 1.00 5.02 H new ATOM 0 HA ILE A 78 23.719 11.635 10.370 1.00 40.41 H new ATOM 0 HB ILE A 78 21.780 13.757 9.383 1.00 31.12 H new ATOM 0 HG12 ILE A 78 21.717 11.210 8.025 1.00 75.12 H new ATOM 0 HG13 ILE A 78 21.648 10.938 9.755 1.00 75.12 H new ATOM 0 HG21 ILE A 78 22.602 13.298 7.107 1.00 74.10 H new ATOM 0 HG22 ILE A 78 23.871 14.009 8.133 1.00 74.10 H new ATOM 0 HG23 ILE A 78 23.884 12.265 7.782 1.00 74.10 H new ATOM 0 HD11 ILE A 78 19.401 11.148 8.811 1.00 53.21 H new ATOM 0 HD12 ILE A 78 19.733 12.486 9.936 1.00 53.21 H new ATOM 0 HD13 ILE A 78 19.803 12.762 8.180 1.00 53.21 H new ATOM 1276 N THR A 79 25.637 13.203 10.229 1.00 12.03 N ATOM 1277 CA THR A 79 26.796 14.086 10.212 1.00 1.14 C ATOM 1278 C THR A 79 27.190 14.449 8.785 1.00 21.22 C ATOM 1279 O THR A 79 27.729 15.527 8.535 1.00 62.21 O ATOM 1280 CB THR A 79 28.004 13.441 10.918 1.00 11.32 C ATOM 1281 OG1 THR A 79 28.046 12.039 10.633 1.00 23.41 O ATOM 1282 CG2 THR A 79 27.930 13.656 12.422 1.00 12.23 C ATOM 0 H THR A 79 25.854 12.220 10.066 1.00 12.03 H new ATOM 0 HA THR A 79 26.512 14.991 10.749 1.00 1.14 H new ATOM 0 HB THR A 79 28.911 13.915 10.544 1.00 11.32 H new ATOM 0 HG1 THR A 79 28.817 11.637 11.084 1.00 23.41 H new ATOM 0 HG21 THR A 79 28.793 13.192 12.899 1.00 12.23 H new ATOM 0 HG22 THR A 79 27.928 14.725 12.637 1.00 12.23 H new ATOM 0 HG23 THR A 79 27.016 13.206 12.809 1.00 12.23 H new ATOM 1290 N SER A 80 26.917 13.542 7.852 1.00 1.32 N ATOM 1291 CA SER A 80 27.246 13.766 6.449 1.00 3.14 C ATOM 1292 C SER A 80 25.980 13.932 5.614 1.00 4.11 C ATOM 1293 O SER A 80 25.339 12.952 5.236 1.00 32.45 O ATOM 1294 CB SER A 80 28.080 12.603 5.907 1.00 13.24 C ATOM 1295 OG SER A 80 27.622 11.365 6.422 1.00 23.31 O ATOM 0 H SER A 80 26.469 12.646 8.042 1.00 1.32 H new ATOM 0 HA SER A 80 27.829 14.685 6.380 1.00 3.14 H new ATOM 0 HB2 SER A 80 28.027 12.590 4.818 1.00 13.24 H new ATOM 0 HB3 SER A 80 29.127 12.747 6.174 1.00 13.24 H new ATOM 0 HG SER A 80 26.652 11.297 6.297 1.00 23.31 H new ATOM 1301 N VAL A 81 25.627 15.181 5.329 1.00 15.32 N ATOM 1302 CA VAL A 81 24.438 15.478 4.538 1.00 63.21 C ATOM 1303 C VAL A 81 24.219 14.423 3.460 1.00 72.43 C ATOM 1304 O VAL A 81 23.179 13.765 3.402 1.00 44.21 O ATOM 1305 CB VAL A 81 24.539 16.863 3.872 1.00 14.12 C ATOM 1306 CG1 VAL A 81 23.299 17.691 4.174 1.00 50.55 C ATOM 1307 CG2 VAL A 81 25.797 17.585 4.331 1.00 34.44 C ATOM 0 H VAL A 81 26.147 16.004 5.634 1.00 15.32 H new ATOM 0 HA VAL A 81 23.591 15.474 5.224 1.00 63.21 H new ATOM 0 HB VAL A 81 24.601 16.725 2.793 1.00 14.12 H new ATOM 0 HG11 VAL A 81 23.387 18.666 3.696 1.00 50.55 H new ATOM 0 HG12 VAL A 81 22.417 17.178 3.791 1.00 50.55 H new ATOM 0 HG13 VAL A 81 23.203 17.823 5.252 1.00 50.55 H new ATOM 0 HG21 VAL A 81 25.852 18.562 3.850 1.00 34.44 H new ATOM 0 HG22 VAL A 81 25.768 17.714 5.413 1.00 34.44 H new ATOM 0 HG23 VAL A 81 26.674 16.997 4.059 1.00 34.44 H new ATOM 1317 N PRO A 82 25.220 14.254 2.584 1.00 45.53 N ATOM 1318 CA PRO A 82 25.161 13.279 1.491 1.00 23.01 C ATOM 1319 C PRO A 82 25.229 11.841 1.994 1.00 73.14 C ATOM 1320 O PRO A 82 26.259 11.177 1.872 1.00 74.34 O ATOM 1321 CB PRO A 82 26.398 13.611 0.652 1.00 72.30 C ATOM 1322 CG PRO A 82 27.342 14.255 1.607 1.00 23.53 C ATOM 1323 CD PRO A 82 26.488 15.003 2.593 1.00 44.43 C ATOM 0 HA PRO A 82 24.224 13.343 0.937 1.00 23.01 H new ATOM 0 HB2 PRO A 82 26.831 12.712 0.213 1.00 72.30 H new ATOM 0 HB3 PRO A 82 26.150 14.281 -0.171 1.00 72.30 H new ATOM 0 HG2 PRO A 82 27.957 13.509 2.111 1.00 23.53 H new ATOM 0 HG3 PRO A 82 28.022 14.931 1.088 1.00 23.53 H new ATOM 0 HD2 PRO A 82 26.939 15.018 3.585 1.00 44.43 H new ATOM 0 HD3 PRO A 82 26.344 16.041 2.293 1.00 44.43 H new ATOM 1331 N THR A 83 24.124 11.364 2.559 1.00 21.04 N ATOM 1332 CA THR A 83 24.058 10.005 3.081 1.00 23.21 C ATOM 1333 C THR A 83 23.237 9.104 2.166 1.00 62.22 C ATOM 1334 O THR A 83 22.506 9.583 1.299 1.00 11.32 O ATOM 1335 CB THR A 83 23.447 9.975 4.495 1.00 64.42 C ATOM 1336 OG1 THR A 83 23.344 11.306 5.012 1.00 35.21 O ATOM 1337 CG2 THR A 83 24.293 9.126 5.432 1.00 63.32 C ATOM 0 H THR A 83 23.262 11.899 2.667 1.00 21.04 H new ATOM 0 HA THR A 83 25.082 9.635 3.128 1.00 23.21 H new ATOM 0 HB THR A 83 22.453 9.533 4.428 1.00 64.42 H new ATOM 0 HG1 THR A 83 24.239 11.645 5.224 1.00 35.21 H new ATOM 0 HG21 THR A 83 23.842 9.120 6.424 1.00 63.32 H new ATOM 0 HG22 THR A 83 24.346 8.106 5.051 1.00 63.32 H new ATOM 0 HG23 THR A 83 25.298 9.543 5.493 1.00 63.32 H new ATOM 1345 N PHE A 84 23.362 7.796 2.364 1.00 70.42 N ATOM 1346 CA PHE A 84 22.631 6.827 1.555 1.00 31.14 C ATOM 1347 C PHE A 84 22.000 5.751 2.434 1.00 25.52 C ATOM 1348 O PHE A 84 22.701 4.974 3.083 1.00 22.31 O ATOM 1349 CB PHE A 84 23.563 6.181 0.528 1.00 2.03 C ATOM 1350 CG PHE A 84 23.550 6.867 -0.808 1.00 21.01 C ATOM 1351 CD1 PHE A 84 24.183 8.087 -0.981 1.00 51.33 C ATOM 1352 CD2 PHE A 84 22.904 6.292 -1.890 1.00 64.44 C ATOM 1353 CE1 PHE A 84 24.173 8.721 -2.210 1.00 1.04 C ATOM 1354 CE2 PHE A 84 22.892 6.920 -3.121 1.00 54.31 C ATOM 1355 CZ PHE A 84 23.526 8.137 -3.281 1.00 14.13 C ATOM 0 H PHE A 84 23.962 7.382 3.077 1.00 70.42 H new ATOM 0 HA PHE A 84 21.835 7.356 1.030 1.00 31.14 H new ATOM 0 HB2 PHE A 84 24.580 6.185 0.919 1.00 2.03 H new ATOM 0 HB3 PHE A 84 23.276 5.138 0.395 1.00 2.03 H new ATOM 0 HD1 PHE A 84 24.690 8.548 -0.146 1.00 51.33 H new ATOM 0 HD2 PHE A 84 22.404 5.342 -1.770 1.00 64.44 H new ATOM 0 HE1 PHE A 84 24.671 9.672 -2.332 1.00 1.04 H new ATOM 0 HE2 PHE A 84 22.387 6.460 -3.957 1.00 54.31 H new ATOM 0 HZ PHE A 84 23.516 8.631 -4.242 1.00 14.13 H new ATOM 1365 N VAL A 85 20.672 5.712 2.450 1.00 32.54 N ATOM 1366 CA VAL A 85 19.945 4.731 3.249 1.00 45.15 C ATOM 1367 C VAL A 85 19.085 3.833 2.366 1.00 3.25 C ATOM 1368 O VAL A 85 18.352 4.314 1.502 1.00 45.14 O ATOM 1369 CB VAL A 85 19.048 5.415 4.297 1.00 75.24 C ATOM 1370 CG1 VAL A 85 18.612 4.417 5.359 1.00 55.12 C ATOM 1371 CG2 VAL A 85 19.770 6.596 4.927 1.00 33.12 C ATOM 0 H VAL A 85 20.077 6.348 1.919 1.00 32.54 H new ATOM 0 HA VAL A 85 20.691 4.124 3.762 1.00 45.15 H new ATOM 0 HB VAL A 85 18.155 5.790 3.797 1.00 75.24 H new ATOM 0 HG11 VAL A 85 17.979 4.918 6.091 1.00 55.12 H new ATOM 0 HG12 VAL A 85 18.053 3.607 4.890 1.00 55.12 H new ATOM 0 HG13 VAL A 85 19.491 4.009 5.858 1.00 55.12 H new ATOM 0 HG21 VAL A 85 19.121 7.067 5.665 1.00 33.12 H new ATOM 0 HG22 VAL A 85 20.681 6.248 5.414 1.00 33.12 H new ATOM 0 HG23 VAL A 85 20.026 7.320 4.154 1.00 33.12 H new ATOM 1381 N ILE A 86 19.179 2.527 2.591 1.00 2.05 N ATOM 1382 CA ILE A 86 18.408 1.562 1.818 1.00 21.30 C ATOM 1383 C ILE A 86 17.362 0.872 2.687 1.00 74.35 C ATOM 1384 O ILE A 86 17.673 0.363 3.763 1.00 75.43 O ATOM 1385 CB ILE A 86 19.318 0.493 1.184 1.00 52.24 C ATOM 1386 CG1 ILE A 86 20.660 1.108 0.783 1.00 64.13 C ATOM 1387 CG2 ILE A 86 18.636 -0.135 -0.022 1.00 54.04 C ATOM 1388 CD1 ILE A 86 21.645 0.101 0.231 1.00 5.04 C ATOM 0 H ILE A 86 19.781 2.113 3.302 1.00 2.05 H new ATOM 0 HA ILE A 86 17.909 2.119 1.025 1.00 21.30 H new ATOM 0 HB ILE A 86 19.503 -0.289 1.920 1.00 52.24 H new ATOM 0 HG12 ILE A 86 20.487 1.882 0.036 1.00 64.13 H new ATOM 0 HG13 ILE A 86 21.101 1.597 1.652 1.00 64.13 H new ATOM 0 HG21 ILE A 86 19.291 -0.888 -0.459 1.00 54.04 H new ATOM 0 HG22 ILE A 86 17.703 -0.603 0.291 1.00 54.04 H new ATOM 0 HG23 ILE A 86 18.425 0.636 -0.763 1.00 54.04 H new ATOM 0 HD11 ILE A 86 22.574 0.607 -0.032 1.00 5.04 H new ATOM 0 HD12 ILE A 86 21.848 -0.660 0.984 1.00 5.04 H new ATOM 0 HD13 ILE A 86 21.224 -0.370 -0.657 1.00 5.04 H new ATOM 1400 N GLU A 87 16.121 0.858 2.210 1.00 73.22 N ATOM 1401 CA GLU A 87 15.029 0.229 2.943 1.00 35.22 C ATOM 1402 C GLU A 87 14.242 -0.718 2.041 1.00 31.13 C ATOM 1403 O GLU A 87 14.113 -0.486 0.839 1.00 1.41 O ATOM 1404 CB GLU A 87 14.094 1.293 3.522 1.00 0.12 C ATOM 1405 CG GLU A 87 13.204 1.952 2.482 1.00 13.23 C ATOM 1406 CD GLU A 87 11.903 1.203 2.269 1.00 72.03 C ATOM 1407 OE1 GLU A 87 11.371 1.249 1.139 1.00 20.25 O ATOM 1408 OE2 GLU A 87 11.417 0.571 3.230 1.00 55.43 O ATOM 0 H GLU A 87 15.847 1.275 1.320 1.00 73.22 H new ATOM 0 HA GLU A 87 15.460 -0.349 3.760 1.00 35.22 H new ATOM 0 HB2 GLU A 87 13.467 0.836 4.287 1.00 0.12 H new ATOM 0 HB3 GLU A 87 14.691 2.060 4.015 1.00 0.12 H new ATOM 0 HG2 GLU A 87 12.984 2.974 2.792 1.00 13.23 H new ATOM 0 HG3 GLU A 87 13.742 2.015 1.536 1.00 13.23 H new ATOM 1415 N LYS A 88 13.718 -1.788 2.630 1.00 12.44 N ATOM 1416 CA LYS A 88 12.943 -2.771 1.883 1.00 40.22 C ATOM 1417 C LYS A 88 11.582 -2.999 2.532 1.00 13.31 C ATOM 1418 O LYS A 88 11.334 -4.047 3.126 1.00 60.43 O ATOM 1419 CB LYS A 88 13.707 -4.094 1.797 1.00 71.21 C ATOM 1420 CG LYS A 88 12.962 -5.178 1.037 1.00 44.04 C ATOM 1421 CD LYS A 88 12.953 -6.490 1.803 1.00 74.24 C ATOM 1422 CE LYS A 88 11.782 -7.369 1.388 1.00 1.34 C ATOM 1423 NZ LYS A 88 11.212 -8.114 2.544 1.00 31.35 N ATOM 0 H LYS A 88 13.816 -1.996 3.624 1.00 12.44 H new ATOM 0 HA LYS A 88 12.785 -2.383 0.877 1.00 40.22 H new ATOM 0 HB2 LYS A 88 14.668 -3.918 1.314 1.00 71.21 H new ATOM 0 HB3 LYS A 88 13.918 -4.449 2.806 1.00 71.21 H new ATOM 0 HG2 LYS A 88 11.937 -4.856 0.853 1.00 44.04 H new ATOM 0 HG3 LYS A 88 13.429 -5.327 0.063 1.00 44.04 H new ATOM 0 HD2 LYS A 88 13.888 -7.021 1.628 1.00 74.24 H new ATOM 0 HD3 LYS A 88 12.897 -6.288 2.873 1.00 74.24 H new ATOM 0 HE2 LYS A 88 11.006 -6.751 0.936 1.00 1.34 H new ATOM 0 HE3 LYS A 88 12.111 -8.076 0.626 1.00 1.34 H new ATOM 0 HZ1 LYS A 88 10.417 -8.701 2.221 1.00 31.35 H new ATOM 0 HZ2 LYS A 88 11.945 -8.723 2.960 1.00 31.35 H new ATOM 0 HZ3 LYS A 88 10.875 -7.439 3.260 1.00 31.35 H new ATOM 1437 N GLY A 89 10.701 -2.009 2.414 1.00 64.23 N ATOM 1438 CA GLY A 89 9.376 -2.123 2.993 1.00 14.41 C ATOM 1439 C GLY A 89 9.408 -2.629 4.421 1.00 24.33 C ATOM 1440 O GLY A 89 8.524 -3.373 4.844 1.00 3.00 O ATOM 0 H GLY A 89 10.882 -1.131 1.928 1.00 64.23 H new ATOM 0 HA2 GLY A 89 8.887 -1.149 2.967 1.00 14.41 H new ATOM 0 HA3 GLY A 89 8.774 -2.799 2.385 1.00 14.41 H new ATOM 1444 N GLY A 90 10.433 -2.227 5.167 1.00 0.22 N ATOM 1445 CA GLY A 90 10.559 -2.656 6.548 1.00 64.33 C ATOM 1446 C GLY A 90 11.531 -1.799 7.335 1.00 74.11 C ATOM 1447 O GLY A 90 11.154 -0.758 7.872 1.00 42.12 O ATOM 0 H GLY A 90 11.178 -1.612 4.840 1.00 0.22 H new ATOM 0 HA2 GLY A 90 9.580 -2.622 7.026 1.00 64.33 H new ATOM 0 HA3 GLY A 90 10.891 -3.694 6.574 1.00 64.33 H new ATOM 1451 N GLU A 91 12.783 -2.239 7.405 1.00 42.31 N ATOM 1452 CA GLU A 91 13.810 -1.505 8.135 1.00 0.41 C ATOM 1453 C GLU A 91 15.052 -1.302 7.272 1.00 53.24 C ATOM 1454 O GLU A 91 15.238 -1.955 6.245 1.00 41.03 O ATOM 1455 CB GLU A 91 14.184 -2.248 9.419 1.00 22.01 C ATOM 1456 CG GLU A 91 13.527 -1.679 10.665 1.00 34.33 C ATOM 1457 CD GLU A 91 14.497 -1.531 11.821 1.00 41.32 C ATOM 1458 OE1 GLU A 91 14.730 -0.383 12.255 1.00 20.13 O ATOM 1459 OE2 GLU A 91 15.024 -2.561 12.290 1.00 13.14 O ATOM 0 H GLU A 91 13.111 -3.099 6.966 1.00 42.31 H new ATOM 0 HA GLU A 91 13.405 -0.527 8.394 1.00 0.41 H new ATOM 0 HB2 GLU A 91 13.903 -3.296 9.317 1.00 22.01 H new ATOM 0 HB3 GLU A 91 15.266 -2.219 9.544 1.00 22.01 H new ATOM 0 HG2 GLU A 91 13.095 -0.706 10.431 1.00 34.33 H new ATOM 0 HG3 GLU A 91 12.705 -2.328 10.966 1.00 34.33 H new ATOM 1466 N PRO A 92 15.922 -0.374 7.696 1.00 2.13 N ATOM 1467 CA PRO A 92 17.161 -0.063 6.977 1.00 1.33 C ATOM 1468 C PRO A 92 18.179 -1.196 7.058 1.00 13.55 C ATOM 1469 O PRO A 92 18.589 -1.598 8.148 1.00 70.42 O ATOM 1470 CB PRO A 92 17.687 1.181 7.698 1.00 31.03 C ATOM 1471 CG PRO A 92 17.109 1.097 9.069 1.00 53.13 C ATOM 1472 CD PRO A 92 15.764 0.442 8.912 1.00 42.54 C ATOM 0 HA PRO A 92 16.987 0.087 5.911 1.00 1.33 H new ATOM 0 HB2 PRO A 92 18.777 1.190 7.728 1.00 31.03 H new ATOM 0 HB3 PRO A 92 17.374 2.094 7.192 1.00 31.03 H new ATOM 0 HG2 PRO A 92 17.752 0.514 9.729 1.00 53.13 H new ATOM 0 HG3 PRO A 92 17.011 2.088 9.513 1.00 53.13 H new ATOM 0 HD2 PRO A 92 15.512 -0.171 9.777 1.00 42.54 H new ATOM 0 HD3 PRO A 92 14.969 1.179 8.801 1.00 42.54 H new ATOM 1480 N LEU A 93 18.583 -1.706 5.900 1.00 12.54 N ATOM 1481 CA LEU A 93 19.554 -2.793 5.840 1.00 11.43 C ATOM 1482 C LEU A 93 20.869 -2.315 5.233 1.00 2.14 C ATOM 1483 O LEU A 93 21.929 -2.878 5.502 1.00 24.11 O ATOM 1484 CB LEU A 93 18.995 -3.958 5.022 1.00 53.41 C ATOM 1485 CG LEU A 93 19.516 -5.347 5.389 1.00 20.34 C ATOM 1486 CD1 LEU A 93 18.442 -6.399 5.158 1.00 10.20 C ATOM 1487 CD2 LEU A 93 20.768 -5.676 4.589 1.00 30.12 C ATOM 0 H LEU A 93 18.253 -1.384 4.990 1.00 12.54 H new ATOM 0 HA LEU A 93 19.747 -3.132 6.858 1.00 11.43 H new ATOM 0 HB2 LEU A 93 17.910 -3.960 5.125 1.00 53.41 H new ATOM 0 HB3 LEU A 93 19.215 -3.776 3.970 1.00 53.41 H new ATOM 0 HG LEU A 93 19.775 -5.348 6.448 1.00 20.34 H new ATOM 0 HD11 LEU A 93 18.832 -7.381 5.425 1.00 10.20 H new ATOM 0 HD12 LEU A 93 17.573 -6.173 5.776 1.00 10.20 H new ATOM 0 HD13 LEU A 93 18.151 -6.397 4.108 1.00 10.20 H new ATOM 0 HD21 LEU A 93 21.125 -6.669 4.864 1.00 30.12 H new ATOM 0 HD22 LEU A 93 20.535 -5.656 3.524 1.00 30.12 H new ATOM 0 HD23 LEU A 93 21.542 -4.940 4.805 1.00 30.12 H new ATOM 1499 N GLY A 94 20.792 -1.270 4.414 1.00 24.23 N ATOM 1500 CA GLY A 94 21.984 -0.733 3.784 1.00 51.22 C ATOM 1501 C GLY A 94 22.294 0.679 4.240 1.00 43.15 C ATOM 1502 O GLY A 94 21.399 1.517 4.336 1.00 12.34 O ATOM 0 H GLY A 94 19.926 -0.786 4.176 1.00 24.23 H new ATOM 0 HA2 GLY A 94 22.833 -1.379 4.009 1.00 51.22 H new ATOM 0 HA3 GLY A 94 21.855 -0.742 2.702 1.00 51.22 H new ATOM 1506 N GLU A 95 23.567 0.942 4.521 1.00 14.15 N ATOM 1507 CA GLU A 95 23.991 2.262 4.972 1.00 3.31 C ATOM 1508 C GLU A 95 25.434 2.540 4.559 1.00 54.43 C ATOM 1509 O GLU A 95 26.317 1.703 4.744 1.00 10.35 O ATOM 1510 CB GLU A 95 23.854 2.375 6.492 1.00 40.41 C ATOM 1511 CG GLU A 95 24.902 1.586 7.258 1.00 4.41 C ATOM 1512 CD GLU A 95 24.340 0.921 8.499 1.00 31.31 C ATOM 1513 OE1 GLU A 95 25.028 0.932 9.541 1.00 25.41 O ATOM 1514 OE2 GLU A 95 23.212 0.389 8.429 1.00 43.14 O ATOM 0 H GLU A 95 24.321 0.259 4.444 1.00 14.15 H new ATOM 0 HA GLU A 95 23.346 3.003 4.500 1.00 3.31 H new ATOM 0 HB2 GLU A 95 23.921 3.425 6.777 1.00 40.41 H new ATOM 0 HB3 GLU A 95 22.863 2.028 6.786 1.00 40.41 H new ATOM 0 HG2 GLU A 95 25.328 0.825 6.604 1.00 4.41 H new ATOM 0 HG3 GLU A 95 25.716 2.252 7.544 1.00 4.41 H new ATOM 1521 N VAL A 96 25.664 3.722 3.996 1.00 3.50 N ATOM 1522 CA VAL A 96 26.999 4.112 3.556 1.00 14.52 C ATOM 1523 C VAL A 96 27.298 5.561 3.926 1.00 74.11 C ATOM 1524 O VAL A 96 26.404 6.408 3.937 1.00 20.13 O ATOM 1525 CB VAL A 96 27.161 3.938 2.034 1.00 1.45 C ATOM 1526 CG1 VAL A 96 28.557 4.354 1.595 1.00 12.24 C ATOM 1527 CG2 VAL A 96 26.872 2.501 1.629 1.00 12.11 C ATOM 0 H VAL A 96 24.944 4.426 3.834 1.00 3.50 H new ATOM 0 HA VAL A 96 27.705 3.457 4.066 1.00 14.52 H new ATOM 0 HB VAL A 96 26.441 4.584 1.533 1.00 1.45 H new ATOM 0 HG11 VAL A 96 28.653 4.224 0.517 1.00 12.24 H new ATOM 0 HG12 VAL A 96 28.722 5.401 1.851 1.00 12.24 H new ATOM 0 HG13 VAL A 96 29.297 3.735 2.102 1.00 12.24 H new ATOM 0 HG21 VAL A 96 26.991 2.396 0.551 1.00 12.11 H new ATOM 0 HG22 VAL A 96 27.567 1.833 2.138 1.00 12.11 H new ATOM 0 HG23 VAL A 96 25.850 2.243 1.908 1.00 12.11 H new ATOM 1537 N LYS A 97 28.561 5.840 4.228 1.00 61.14 N ATOM 1538 CA LYS A 97 28.981 7.187 4.596 1.00 32.35 C ATOM 1539 C LYS A 97 30.290 7.557 3.906 1.00 14.02 C ATOM 1540 O LYS A 97 31.373 7.286 4.422 1.00 0.33 O ATOM 1541 CB LYS A 97 29.144 7.295 6.114 1.00 20.53 C ATOM 1542 CG LYS A 97 28.026 6.627 6.895 1.00 35.23 C ATOM 1543 CD LYS A 97 28.463 5.285 7.459 1.00 11.32 C ATOM 1544 CE LYS A 97 27.374 4.235 7.307 1.00 74.20 C ATOM 1545 NZ LYS A 97 26.063 4.715 7.827 1.00 43.02 N ATOM 0 H LYS A 97 29.313 5.150 4.225 1.00 61.14 H new ATOM 0 HA LYS A 97 28.209 7.884 4.269 1.00 32.35 H new ATOM 0 HB2 LYS A 97 30.095 6.847 6.402 1.00 20.53 H new ATOM 0 HB3 LYS A 97 29.191 8.348 6.392 1.00 20.53 H new ATOM 0 HG2 LYS A 97 27.710 7.279 7.709 1.00 35.23 H new ATOM 0 HG3 LYS A 97 27.162 6.486 6.246 1.00 35.23 H new ATOM 0 HD2 LYS A 97 29.366 4.951 6.948 1.00 11.32 H new ATOM 0 HD3 LYS A 97 28.717 5.397 8.513 1.00 11.32 H new ATOM 0 HE2 LYS A 97 27.272 3.968 6.255 1.00 74.20 H new ATOM 0 HE3 LYS A 97 27.666 3.329 7.839 1.00 74.20 H new ATOM 0 HZ1 LYS A 97 25.639 3.982 8.430 1.00 43.02 H new ATOM 0 HZ2 LYS A 97 26.207 5.581 8.384 1.00 43.02 H new ATOM 0 HZ3 LYS A 97 25.427 4.918 7.030 1.00 43.02 H new ATOM 1559 N GLY A 98 30.181 8.179 2.736 1.00 2.41 N ATOM 1560 CA GLY A 98 31.364 8.578 1.995 1.00 32.24 C ATOM 1561 C GLY A 98 31.130 8.601 0.498 1.00 14.10 C ATOM 1562 O GLY A 98 30.193 7.988 -0.015 1.00 42.10 O ATOM 0 H GLY A 98 29.295 8.414 2.288 1.00 2.41 H new ATOM 0 HA2 GLY A 98 31.679 9.568 2.326 1.00 32.24 H new ATOM 0 HA3 GLY A 98 32.180 7.891 2.222 1.00 32.24 H new ATOM 1566 N PRO A 99 31.994 9.324 -0.229 1.00 2.31 N ATOM 1567 CA PRO A 99 31.897 9.444 -1.687 1.00 32.43 C ATOM 1568 C PRO A 99 32.238 8.139 -2.399 1.00 55.11 C ATOM 1569 O PRO A 99 33.409 7.808 -2.582 1.00 2.32 O ATOM 1570 CB PRO A 99 32.929 10.523 -2.024 1.00 71.51 C ATOM 1571 CG PRO A 99 33.916 10.464 -0.910 1.00 12.44 C ATOM 1572 CD PRO A 99 33.134 10.081 0.316 1.00 31.13 C ATOM 0 HA PRO A 99 30.885 9.688 -2.010 1.00 32.43 H new ATOM 0 HB2 PRO A 99 33.405 10.329 -2.985 1.00 71.51 H new ATOM 0 HB3 PRO A 99 32.465 11.507 -2.091 1.00 71.51 H new ATOM 0 HG2 PRO A 99 34.697 9.733 -1.119 1.00 12.44 H new ATOM 0 HG3 PRO A 99 34.409 11.427 -0.774 1.00 12.44 H new ATOM 0 HD2 PRO A 99 33.729 9.475 0.999 1.00 31.13 H new ATOM 0 HD3 PRO A 99 32.805 10.958 0.873 1.00 31.13 H new ATOM 1580 N ASP A 100 31.207 7.403 -2.800 1.00 21.45 N ATOM 1581 CA ASP A 100 31.398 6.134 -3.494 1.00 14.42 C ATOM 1582 C ASP A 100 30.252 5.869 -4.466 1.00 10.44 C ATOM 1583 O ASP A 100 29.627 4.809 -4.429 1.00 15.34 O ATOM 1584 CB ASP A 100 31.504 4.988 -2.487 1.00 1.23 C ATOM 1585 CG ASP A 100 30.216 4.773 -1.717 1.00 22.25 C ATOM 1586 OD1 ASP A 100 29.798 3.604 -1.574 1.00 51.52 O ATOM 1587 OD2 ASP A 100 29.627 5.772 -1.255 1.00 51.33 O ATOM 0 H ASP A 100 30.231 7.663 -2.657 1.00 21.45 H new ATOM 0 HA ASP A 100 32.326 6.195 -4.062 1.00 14.42 H new ATOM 0 HB2 ASP A 100 31.767 4.070 -3.012 1.00 1.23 H new ATOM 0 HB3 ASP A 100 32.312 5.198 -1.786 1.00 1.23 H new ATOM 1592 N ILE A 101 29.982 6.839 -5.333 1.00 2.33 N ATOM 1593 CA ILE A 101 28.912 6.710 -6.314 1.00 10.32 C ATOM 1594 C ILE A 101 29.118 5.482 -7.193 1.00 73.34 C ATOM 1595 O ILE A 101 28.156 4.882 -7.675 1.00 2.03 O ATOM 1596 CB ILE A 101 28.816 7.959 -7.210 1.00 42.10 C ATOM 1597 CG1 ILE A 101 28.226 9.132 -6.426 1.00 15.54 C ATOM 1598 CG2 ILE A 101 27.976 7.663 -8.443 1.00 70.13 C ATOM 1599 CD1 ILE A 101 26.798 8.905 -5.981 1.00 73.52 C ATOM 0 H ILE A 101 30.490 7.723 -5.376 1.00 2.33 H new ATOM 0 HA ILE A 101 27.983 6.602 -5.755 1.00 10.32 H new ATOM 0 HB ILE A 101 29.820 8.232 -7.535 1.00 42.10 H new ATOM 0 HG12 ILE A 101 28.845 9.321 -5.549 1.00 15.54 H new ATOM 0 HG13 ILE A 101 28.267 10.029 -7.044 1.00 15.54 H new ATOM 0 HG21 ILE A 101 27.917 8.555 -9.066 1.00 70.13 H new ATOM 0 HG22 ILE A 101 28.435 6.854 -9.010 1.00 70.13 H new ATOM 0 HG23 ILE A 101 26.972 7.368 -8.137 1.00 70.13 H new ATOM 0 HD11 ILE A 101 26.445 9.777 -5.431 1.00 73.52 H new ATOM 0 HD12 ILE A 101 26.166 8.746 -6.854 1.00 73.52 H new ATOM 0 HD13 ILE A 101 26.753 8.027 -5.336 1.00 73.52 H new ATOM 1611 N ASP A 102 30.377 5.111 -7.398 1.00 0.53 N ATOM 1612 CA ASP A 102 30.710 3.952 -8.217 1.00 72.10 C ATOM 1613 C ASP A 102 30.480 2.657 -7.444 1.00 64.34 C ATOM 1614 O ASP A 102 29.876 1.714 -7.956 1.00 51.25 O ATOM 1615 CB ASP A 102 32.164 4.031 -8.684 1.00 1.11 C ATOM 1616 CG ASP A 102 32.362 3.436 -10.064 1.00 43.12 C ATOM 1617 OD1 ASP A 102 32.103 4.145 -11.059 1.00 50.32 O ATOM 1618 OD2 ASP A 102 32.777 2.262 -10.149 1.00 65.35 O ATOM 0 H ASP A 102 31.184 5.597 -7.008 1.00 0.53 H new ATOM 0 HA ASP A 102 30.057 3.954 -9.089 1.00 72.10 H new ATOM 0 HB2 ASP A 102 32.484 5.073 -8.691 1.00 1.11 H new ATOM 0 HB3 ASP A 102 32.801 3.507 -7.971 1.00 1.11 H new ATOM 1623 N LYS A 103 30.968 2.617 -6.209 1.00 72.50 N ATOM 1624 CA LYS A 103 30.817 1.438 -5.364 1.00 74.33 C ATOM 1625 C LYS A 103 29.356 1.229 -4.977 1.00 51.35 C ATOM 1626 O LYS A 103 28.963 0.139 -4.562 1.00 33.44 O ATOM 1627 CB LYS A 103 31.674 1.574 -4.104 1.00 44.43 C ATOM 1628 CG LYS A 103 32.134 0.244 -3.534 1.00 33.31 C ATOM 1629 CD LYS A 103 33.016 0.436 -2.312 1.00 64.41 C ATOM 1630 CE LYS A 103 32.405 -0.206 -1.076 1.00 74.12 C ATOM 1631 NZ LYS A 103 32.632 -1.677 -1.045 1.00 71.51 N ATOM 0 H LYS A 103 31.472 3.388 -5.771 1.00 72.50 H new ATOM 0 HA LYS A 103 31.152 0.570 -5.932 1.00 74.33 H new ATOM 0 HB2 LYS A 103 32.548 2.183 -4.334 1.00 44.43 H new ATOM 0 HB3 LYS A 103 31.104 2.108 -3.343 1.00 44.43 H new ATOM 0 HG2 LYS A 103 31.266 -0.358 -3.266 1.00 33.31 H new ATOM 0 HG3 LYS A 103 32.682 -0.309 -4.296 1.00 33.31 H new ATOM 0 HD2 LYS A 103 33.999 0.003 -2.500 1.00 64.41 H new ATOM 0 HD3 LYS A 103 33.165 1.501 -2.134 1.00 64.41 H new ATOM 0 HE2 LYS A 103 32.834 0.247 -0.182 1.00 74.12 H new ATOM 0 HE3 LYS A 103 31.334 -0.003 -1.053 1.00 74.12 H new ATOM 0 HZ1 LYS A 103 32.200 -2.077 -0.187 1.00 71.51 H new ATOM 0 HZ2 LYS A 103 32.201 -2.113 -1.885 1.00 71.51 H new ATOM 0 HZ3 LYS A 103 33.654 -1.871 -1.041 1.00 71.51 H new ATOM 1645 N LEU A 104 28.556 2.280 -5.118 1.00 52.32 N ATOM 1646 CA LEU A 104 27.137 2.212 -4.785 1.00 22.01 C ATOM 1647 C LEU A 104 26.451 1.088 -5.554 1.00 33.43 C ATOM 1648 O LEU A 104 25.601 0.381 -5.012 1.00 75.11 O ATOM 1649 CB LEU A 104 26.456 3.546 -5.093 1.00 52.34 C ATOM 1650 CG LEU A 104 25.084 3.763 -4.453 1.00 43.41 C ATOM 1651 CD1 LEU A 104 25.225 4.483 -3.121 1.00 1.02 C ATOM 1652 CD2 LEU A 104 24.176 4.546 -5.390 1.00 71.45 C ATOM 0 H LEU A 104 28.865 3.190 -5.461 1.00 52.32 H new ATOM 0 HA LEU A 104 27.049 2.004 -3.719 1.00 22.01 H new ATOM 0 HB2 LEU A 104 27.116 4.351 -4.771 1.00 52.34 H new ATOM 0 HB3 LEU A 104 26.349 3.635 -6.174 1.00 52.34 H new ATOM 0 HG LEU A 104 24.631 2.788 -4.271 1.00 43.41 H new ATOM 0 HD11 LEU A 104 24.239 4.629 -2.680 1.00 1.02 H new ATOM 0 HD12 LEU A 104 25.839 3.885 -2.447 1.00 1.02 H new ATOM 0 HD13 LEU A 104 25.698 5.452 -3.279 1.00 1.02 H new ATOM 0 HD21 LEU A 104 23.204 4.691 -4.918 1.00 71.45 H new ATOM 0 HD22 LEU A 104 24.624 5.516 -5.604 1.00 71.45 H new ATOM 0 HD23 LEU A 104 24.049 3.992 -6.320 1.00 71.45 H new ATOM 1664 N ARG A 105 26.827 0.927 -6.818 1.00 60.32 N ATOM 1665 CA ARG A 105 26.248 -0.112 -7.661 1.00 64.52 C ATOM 1666 C ARG A 105 26.414 -1.487 -7.020 1.00 73.31 C ATOM 1667 O ARG A 105 25.555 -2.357 -7.165 1.00 3.12 O ATOM 1668 CB ARG A 105 26.903 -0.101 -9.044 1.00 10.42 C ATOM 1669 CG ARG A 105 28.337 -0.604 -9.043 1.00 61.10 C ATOM 1670 CD ARG A 105 29.133 -0.019 -10.199 1.00 64.30 C ATOM 1671 NE ARG A 105 30.473 -0.595 -10.288 1.00 34.31 N ATOM 1672 CZ ARG A 105 31.246 -0.494 -11.363 1.00 60.52 C ATOM 1673 NH1 ARG A 105 30.816 0.157 -12.435 1.00 34.02 N ATOM 1674 NH2 ARG A 105 32.453 -1.046 -11.368 1.00 1.53 N ATOM 0 H ARG A 105 27.530 1.503 -7.281 1.00 60.32 H new ATOM 0 HA ARG A 105 25.183 0.094 -7.769 1.00 64.52 H new ATOM 0 HB2 ARG A 105 26.312 -0.717 -9.722 1.00 10.42 H new ATOM 0 HB3 ARG A 105 26.884 0.915 -9.438 1.00 10.42 H new ATOM 0 HG2 ARG A 105 28.816 -0.340 -8.100 1.00 61.10 H new ATOM 0 HG3 ARG A 105 28.342 -1.692 -9.110 1.00 61.10 H new ATOM 0 HD2 ARG A 105 28.600 -0.196 -11.133 1.00 64.30 H new ATOM 0 HD3 ARG A 105 29.210 1.061 -10.076 1.00 64.30 H new ATOM 0 HE ARG A 105 30.834 -1.102 -9.480 1.00 34.31 H new ATOM 0 HH11 ARG A 105 29.889 0.582 -12.436 1.00 34.02 H new ATOM 0 HH12 ARG A 105 31.412 0.233 -13.259 1.00 34.02 H new ATOM 0 HH21 ARG A 105 32.787 -1.548 -10.546 1.00 1.53 H new ATOM 0 HH22 ARG A 105 33.046 -0.968 -12.194 1.00 1.53 H new ATOM 1688 N GLU A 106 27.523 -1.675 -6.312 1.00 63.03 N ATOM 1689 CA GLU A 106 27.801 -2.945 -5.651 1.00 11.52 C ATOM 1690 C GLU A 106 27.171 -2.983 -4.262 1.00 34.44 C ATOM 1691 O GLU A 106 26.884 -4.055 -3.726 1.00 51.15 O ATOM 1692 CB GLU A 106 29.311 -3.170 -5.544 1.00 74.14 C ATOM 1693 CG GLU A 106 30.087 -2.673 -6.752 1.00 51.22 C ATOM 1694 CD GLU A 106 31.468 -3.291 -6.853 1.00 1.54 C ATOM 1695 OE1 GLU A 106 31.597 -4.352 -7.498 1.00 41.13 O ATOM 1696 OE2 GLU A 106 32.419 -2.714 -6.286 1.00 4.51 O ATOM 0 H GLU A 106 28.243 -0.965 -6.181 1.00 63.03 H new ATOM 0 HA GLU A 106 27.364 -3.742 -6.252 1.00 11.52 H new ATOM 0 HB2 GLU A 106 29.683 -2.666 -4.652 1.00 74.14 H new ATOM 0 HB3 GLU A 106 29.503 -4.235 -5.412 1.00 74.14 H new ATOM 0 HG2 GLU A 106 29.525 -2.899 -7.658 1.00 51.22 H new ATOM 0 HG3 GLU A 106 30.181 -1.588 -6.697 1.00 51.22 H new ATOM 1703 N THR A 107 26.958 -1.806 -3.682 1.00 33.25 N ATOM 1704 CA THR A 107 26.364 -1.704 -2.355 1.00 34.43 C ATOM 1705 C THR A 107 24.883 -2.065 -2.386 1.00 52.12 C ATOM 1706 O THR A 107 24.378 -2.737 -1.486 1.00 73.42 O ATOM 1707 CB THR A 107 26.523 -0.286 -1.775 1.00 72.12 C ATOM 1708 OG1 THR A 107 27.715 0.321 -2.286 1.00 20.21 O ATOM 1709 CG2 THR A 107 26.579 -0.325 -0.256 1.00 35.55 C ATOM 0 H THR A 107 27.188 -0.910 -4.111 1.00 33.25 H new ATOM 0 HA THR A 107 26.894 -2.411 -1.717 1.00 34.43 H new ATOM 0 HB THR A 107 25.657 0.304 -2.075 1.00 72.12 H new ATOM 0 HG1 THR A 107 27.894 1.152 -1.798 1.00 20.21 H new ATOM 0 HG21 THR A 107 26.692 0.688 0.130 1.00 35.55 H new ATOM 0 HG22 THR A 107 25.658 -0.761 0.131 1.00 35.55 H new ATOM 0 HG23 THR A 107 27.428 -0.931 0.061 1.00 35.55 H new ATOM 1717 N LEU A 108 24.191 -1.615 -3.427 1.00 42.32 N ATOM 1718 CA LEU A 108 22.767 -1.891 -3.577 1.00 15.25 C ATOM 1719 C LEU A 108 22.541 -3.245 -4.242 1.00 1.31 C ATOM 1720 O LEU A 108 21.488 -3.860 -4.078 1.00 73.41 O ATOM 1721 CB LEU A 108 22.097 -0.788 -4.398 1.00 74.11 C ATOM 1722 CG LEU A 108 21.942 -1.065 -5.894 1.00 31.41 C ATOM 1723 CD1 LEU A 108 20.629 -1.780 -6.171 1.00 74.32 C ATOM 1724 CD2 LEU A 108 22.024 0.230 -6.688 1.00 1.22 C ATOM 0 H LEU A 108 24.594 -1.057 -4.180 1.00 42.32 H new ATOM 0 HA LEU A 108 22.321 -1.917 -2.583 1.00 15.25 H new ATOM 0 HB2 LEU A 108 21.108 -0.601 -3.979 1.00 74.11 H new ATOM 0 HB3 LEU A 108 22.674 0.129 -4.276 1.00 74.11 H new ATOM 0 HG LEU A 108 22.759 -1.713 -6.210 1.00 31.41 H new ATOM 0 HD11 LEU A 108 20.536 -1.969 -7.241 1.00 74.32 H new ATOM 0 HD12 LEU A 108 20.610 -2.727 -5.632 1.00 74.32 H new ATOM 0 HD13 LEU A 108 19.798 -1.157 -5.839 1.00 74.32 H new ATOM 0 HD21 LEU A 108 21.912 0.013 -7.750 1.00 1.22 H new ATOM 0 HD22 LEU A 108 21.228 0.903 -6.369 1.00 1.22 H new ATOM 0 HD23 LEU A 108 22.991 0.703 -6.514 1.00 1.22 H new ATOM 1736 N ASP A 109 23.538 -3.703 -4.991 1.00 31.11 N ATOM 1737 CA ASP A 109 23.450 -4.986 -5.679 1.00 21.14 C ATOM 1738 C ASP A 109 23.540 -6.142 -4.687 1.00 1.42 C ATOM 1739 O ASP A 109 22.682 -7.023 -4.668 1.00 31.23 O ATOM 1740 CB ASP A 109 24.561 -5.106 -6.723 1.00 22.32 C ATOM 1741 CG ASP A 109 24.981 -6.544 -6.959 1.00 10.22 C ATOM 1742 OD1 ASP A 109 24.123 -7.353 -7.370 1.00 51.11 O ATOM 1743 OD2 ASP A 109 26.168 -6.860 -6.733 1.00 13.40 O ATOM 0 H ASP A 109 24.416 -3.205 -5.137 1.00 31.11 H new ATOM 0 HA ASP A 109 22.484 -5.036 -6.181 1.00 21.14 H new ATOM 0 HB2 ASP A 109 24.221 -4.671 -7.663 1.00 22.32 H new ATOM 0 HB3 ASP A 109 25.425 -4.527 -6.398 1.00 22.32 H new ATOM 1748 N GLU A 110 24.585 -6.130 -3.866 1.00 25.14 N ATOM 1749 CA GLU A 110 24.788 -7.179 -2.873 1.00 13.33 C ATOM 1750 C GLU A 110 23.587 -7.281 -1.937 1.00 14.21 C ATOM 1751 O GLU A 110 23.343 -8.326 -1.332 1.00 63.03 O ATOM 1752 CB GLU A 110 26.057 -6.907 -2.063 1.00 63.20 C ATOM 1753 CG GLU A 110 27.324 -6.896 -2.902 1.00 52.15 C ATOM 1754 CD GLU A 110 27.777 -8.289 -3.294 1.00 34.22 C ATOM 1755 OE1 GLU A 110 27.866 -8.564 -4.509 1.00 12.20 O ATOM 1756 OE2 GLU A 110 28.041 -9.104 -2.386 1.00 25.50 O ATOM 0 H GLU A 110 25.304 -5.406 -3.868 1.00 25.14 H new ATOM 0 HA GLU A 110 24.898 -8.127 -3.400 1.00 13.33 H new ATOM 0 HB2 GLU A 110 25.957 -5.946 -1.559 1.00 63.20 H new ATOM 0 HB3 GLU A 110 26.152 -7.666 -1.287 1.00 63.20 H new ATOM 0 HG2 GLU A 110 27.153 -6.307 -3.803 1.00 52.15 H new ATOM 0 HG3 GLU A 110 28.120 -6.403 -2.344 1.00 52.15 H new ATOM 1763 N LEU A 111 22.839 -6.189 -1.822 1.00 43.41 N ATOM 1764 CA LEU A 111 21.663 -6.154 -0.960 1.00 1.53 C ATOM 1765 C LEU A 111 20.406 -6.531 -1.737 1.00 43.43 C ATOM 1766 O LEU A 111 19.365 -6.826 -1.150 1.00 13.24 O ATOM 1767 CB LEU A 111 21.498 -4.762 -0.345 1.00 63.42 C ATOM 1768 CG LEU A 111 20.108 -4.428 0.197 1.00 70.44 C ATOM 1769 CD1 LEU A 111 19.734 -5.375 1.327 1.00 50.22 C ATOM 1770 CD2 LEU A 111 20.053 -2.983 0.669 1.00 54.24 C ATOM 0 H LEU A 111 23.026 -5.316 -2.315 1.00 43.41 H new ATOM 0 HA LEU A 111 21.807 -6.883 -0.162 1.00 1.53 H new ATOM 0 HB2 LEU A 111 22.217 -4.658 0.467 1.00 63.42 H new ATOM 0 HB3 LEU A 111 21.760 -4.020 -1.099 1.00 63.42 H new ATOM 0 HG LEU A 111 19.385 -4.554 -0.609 1.00 70.44 H new ATOM 0 HD11 LEU A 111 18.742 -5.122 1.700 1.00 50.22 H new ATOM 0 HD12 LEU A 111 19.732 -6.400 0.957 1.00 50.22 H new ATOM 0 HD13 LEU A 111 20.460 -5.282 2.135 1.00 50.22 H new ATOM 0 HD21 LEU A 111 19.056 -2.763 1.052 1.00 54.24 H new ATOM 0 HD22 LEU A 111 20.787 -2.830 1.460 1.00 54.24 H new ATOM 0 HD23 LEU A 111 20.276 -2.319 -0.166 1.00 54.24 H new ATOM 1782 N LEU A 112 20.511 -6.521 -3.062 1.00 1.15 N ATOM 1783 CA LEU A 112 19.383 -6.864 -3.921 1.00 24.32 C ATOM 1784 C LEU A 112 19.230 -8.377 -4.040 1.00 21.35 C ATOM 1785 O LEU A 112 18.172 -8.929 -3.738 1.00 65.50 O ATOM 1786 CB LEU A 112 19.568 -6.249 -5.309 1.00 4.42 C ATOM 1787 CG LEU A 112 18.286 -5.871 -6.052 1.00 5.53 C ATOM 1788 CD1 LEU A 112 17.296 -7.024 -6.029 1.00 21.43 C ATOM 1789 CD2 LEU A 112 17.666 -4.621 -5.444 1.00 5.14 C ATOM 0 H LEU A 112 21.365 -6.279 -3.564 1.00 1.15 H new ATOM 0 HA LEU A 112 18.478 -6.460 -3.469 1.00 24.32 H new ATOM 0 HB2 LEU A 112 20.183 -5.355 -5.209 1.00 4.42 H new ATOM 0 HB3 LEU A 112 20.127 -6.953 -5.925 1.00 4.42 H new ATOM 0 HG LEU A 112 18.540 -5.658 -7.090 1.00 5.53 H new ATOM 0 HD11 LEU A 112 16.390 -6.736 -6.562 1.00 21.43 H new ATOM 0 HD12 LEU A 112 17.740 -7.895 -6.511 1.00 21.43 H new ATOM 0 HD13 LEU A 112 17.047 -7.269 -4.997 1.00 21.43 H new ATOM 0 HD21 LEU A 112 16.755 -4.367 -5.985 1.00 5.14 H new ATOM 0 HD22 LEU A 112 17.426 -4.806 -4.397 1.00 5.14 H new ATOM 0 HD23 LEU A 112 18.372 -3.794 -5.514 1.00 5.14 H new ATOM 1801 N ALA A 113 20.294 -9.042 -4.479 1.00 12.03 N ATOM 1802 CA ALA A 113 20.279 -10.491 -4.633 1.00 31.31 C ATOM 1803 C ALA A 113 20.128 -11.185 -3.284 1.00 31.54 C ATOM 1804 O ALA A 113 19.597 -12.293 -3.201 1.00 14.14 O ATOM 1805 CB ALA A 113 21.547 -10.961 -5.331 1.00 55.13 C ATOM 0 H ALA A 113 21.177 -8.600 -4.734 1.00 12.03 H new ATOM 0 HA ALA A 113 19.419 -10.757 -5.247 1.00 31.31 H new ATOM 0 HB1 ALA A 113 21.522 -12.045 -5.439 1.00 55.13 H new ATOM 0 HB2 ALA A 113 21.612 -10.499 -6.316 1.00 55.13 H new ATOM 0 HB3 ALA A 113 22.416 -10.675 -4.738 1.00 55.13 H new ATOM 1811 N ARG A 114 20.599 -10.528 -2.229 1.00 41.11 N ATOM 1812 CA ARG A 114 20.518 -11.083 -0.884 1.00 31.34 C ATOM 1813 C ARG A 114 19.065 -11.293 -0.469 1.00 35.51 C ATOM 1814 O ARG A 114 18.650 -12.413 -0.165 1.00 1.13 O ATOM 1815 CB ARG A 114 21.216 -10.159 0.116 1.00 51.23 C ATOM 1816 CG ARG A 114 22.506 -10.733 0.678 1.00 33.14 C ATOM 1817 CD ARG A 114 23.189 -9.752 1.619 1.00 72.35 C ATOM 1818 NE ARG A 114 24.644 -9.807 1.504 1.00 73.01 N ATOM 1819 CZ ARG A 114 25.394 -10.728 2.099 1.00 14.45 C ATOM 1820 NH1 ARG A 114 24.829 -11.666 2.847 1.00 13.51 N ATOM 1821 NH2 ARG A 114 26.712 -10.711 1.947 1.00 33.33 N ATOM 0 H ARG A 114 21.041 -9.610 -2.280 1.00 41.11 H new ATOM 0 HA ARG A 114 21.021 -12.050 -0.887 1.00 31.34 H new ATOM 0 HB2 ARG A 114 21.433 -9.208 -0.371 1.00 51.23 H new ATOM 0 HB3 ARG A 114 20.534 -9.947 0.939 1.00 51.23 H new ATOM 0 HG2 ARG A 114 22.292 -11.660 1.210 1.00 33.14 H new ATOM 0 HG3 ARG A 114 23.181 -10.984 -0.140 1.00 33.14 H new ATOM 0 HD2 ARG A 114 22.846 -8.741 1.400 1.00 72.35 H new ATOM 0 HD3 ARG A 114 22.898 -9.972 2.646 1.00 72.35 H new ATOM 0 HE ARG A 114 25.110 -9.100 0.936 1.00 73.01 H new ATOM 0 HH11 ARG A 114 23.816 -11.682 2.967 1.00 13.51 H new ATOM 0 HH12 ARG A 114 25.407 -12.372 3.303 1.00 13.51 H new ATOM 0 HH21 ARG A 114 27.150 -9.990 1.373 1.00 33.33 H new ATOM 0 HH22 ARG A 114 27.287 -11.418 2.404 1.00 33.33 H new ATOM 1835 N LEU A 115 18.295 -10.211 -0.459 1.00 3.55 N ATOM 1836 CA LEU A 115 16.888 -10.275 -0.081 1.00 33.52 C ATOM 1837 C LEU A 115 16.153 -11.332 -0.899 1.00 75.10 C ATOM 1838 O LEU A 115 15.642 -12.309 -0.352 1.00 54.13 O ATOM 1839 CB LEU A 115 16.224 -8.911 -0.274 1.00 71.04 C ATOM 1840 CG LEU A 115 16.814 -7.756 0.536 1.00 63.35 C ATOM 1841 CD1 LEU A 115 16.244 -6.428 0.065 1.00 55.50 C ATOM 1842 CD2 LEU A 115 16.550 -7.957 2.021 1.00 52.53 C ATOM 0 H LEU A 115 18.622 -9.278 -0.709 1.00 3.55 H new ATOM 0 HA LEU A 115 16.832 -10.552 0.972 1.00 33.52 H new ATOM 0 HB2 LEU A 115 16.276 -8.651 -1.331 1.00 71.04 H new ATOM 0 HB3 LEU A 115 15.168 -9.004 -0.020 1.00 71.04 H new ATOM 0 HG LEU A 115 17.892 -7.740 0.379 1.00 63.35 H new ATOM 0 HD11 LEU A 115 16.675 -5.618 0.653 1.00 55.50 H new ATOM 0 HD12 LEU A 115 16.486 -6.281 -0.988 1.00 55.50 H new ATOM 0 HD13 LEU A 115 15.161 -6.431 0.191 1.00 55.50 H new ATOM 0 HD21 LEU A 115 16.977 -7.126 2.582 1.00 52.53 H new ATOM 0 HD22 LEU A 115 15.475 -8.000 2.197 1.00 52.53 H new ATOM 0 HD23 LEU A 115 17.009 -8.890 2.349 1.00 52.53 H new ATOM 1854 N GLU A 116 16.106 -11.130 -2.212 1.00 55.31 N ATOM 1855 CA GLU A 116 15.434 -12.066 -3.105 1.00 71.52 C ATOM 1856 C GLU A 116 16.059 -13.455 -3.007 1.00 44.04 C ATOM 1857 O GLU A 116 15.357 -14.453 -2.848 1.00 1.45 O ATOM 1858 CB GLU A 116 15.501 -11.566 -4.549 1.00 53.45 C ATOM 1859 CG GLU A 116 14.555 -12.293 -5.490 1.00 72.12 C ATOM 1860 CD GLU A 116 13.873 -11.358 -6.470 1.00 11.11 C ATOM 1861 OE1 GLU A 116 14.296 -11.319 -7.645 1.00 34.25 O ATOM 1862 OE2 GLU A 116 12.917 -10.665 -6.063 1.00 4.05 O ATOM 0 H GLU A 116 16.525 -10.327 -2.681 1.00 55.31 H new ATOM 0 HA GLU A 116 14.390 -12.133 -2.800 1.00 71.52 H new ATOM 0 HB2 GLU A 116 15.270 -10.501 -4.567 1.00 53.45 H new ATOM 0 HB3 GLU A 116 16.521 -11.677 -4.916 1.00 53.45 H new ATOM 0 HG2 GLU A 116 15.110 -13.051 -6.043 1.00 72.12 H new ATOM 0 HG3 GLU A 116 13.798 -12.816 -4.905 1.00 72.12 H new