USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 750 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 28 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= -0.725 USER MOD Set 2.2: A 77 SER OG : rot 117:sc= 0.0222 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0197 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0012 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -120:sc= -2.22! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.208 K(o=0.21,f=-8.3!) USER MOD Single : A 49 GLN : amide:sc= -0.252 K(o=-0.25,f=-1.1) USER MOD Single : A 50 SER OG : rot 27:sc= 0.932 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 13:sc= -1.68! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 154:sc= -0.256 (180deg=-1.13) USER MOD Single : A 88 SER OG : rot 180:sc= -0.687 USER MOD Single : A 89 TYR OH : rot -138:sc= 0.126 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -6.18! C(o=-6.2!,f=-21!) USER MOD Single : A 98 MET CE :methyl -158:sc= -0.0131 (180deg=-0.908) USER MOD Single : A 102 SER OG : rot -166:sc= 0.319 USER MOD Single : A 105 SER OG : rot 100:sc= 0.906 USER MOD Single : A 108 SER OG : rot 134:sc= -0.103 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 169 N LEU A 15 -20.438 -13.093 -2.353 1.00 0.00 N ATOM 170 CA LEU A 15 -19.090 -12.942 -1.817 1.00 0.00 C ATOM 171 C LEU A 15 -18.847 -11.509 -1.351 1.00 0.00 C ATOM 172 O LEU A 15 -19.755 -10.678 -1.369 1.00 0.00 O ATOM 173 CB LEU A 15 -18.053 -13.331 -2.871 1.00 0.00 C ATOM 174 CG LEU A 15 -17.766 -14.826 -3.012 1.00 0.00 C ATOM 175 CD1 LEU A 15 -17.185 -15.131 -4.384 1.00 0.00 C ATOM 176 CD2 LEU A 15 -16.822 -15.294 -1.914 1.00 0.00 C ATOM 0 HA LEU A 15 -18.991 -13.606 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.387 -12.953 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.118 -12.823 -2.636 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.706 -15.368 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.987 -16.200 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.896 -14.833 -5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.255 -14.579 -4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -16.629 -16.360 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.883 -14.746 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -17.277 -15.112 -0.941 1.00 0.00 H new ATOM 188 N SER A 16 -17.616 -11.228 -0.936 1.00 0.00 N ATOM 189 CA SER A 16 -17.254 -9.896 -0.466 1.00 0.00 C ATOM 190 C SER A 16 -15.889 -9.482 -1.005 1.00 0.00 C ATOM 191 O SER A 16 -15.079 -10.311 -1.421 1.00 0.00 O ATOM 192 CB SER A 16 -17.243 -9.859 1.064 1.00 0.00 C ATOM 193 OG SER A 16 -18.534 -9.580 1.576 1.00 0.00 O ATOM 0 H SER A 16 -16.853 -11.905 -0.916 1.00 0.00 H new ATOM 0 HA SER A 16 -18.000 -9.192 -0.835 1.00 0.00 H new ATOM 0 HB2 SER A 16 -16.894 -10.816 1.452 1.00 0.00 H new ATOM 0 HB3 SER A 16 -16.540 -9.100 1.408 1.00 0.00 H new ATOM 0 HG SER A 16 -18.501 -9.563 2.555 1.00 0.00 H new ATOM 199 N PRO A 17 -15.626 -8.166 -1.000 1.00 0.00 N ATOM 200 CA PRO A 17 -14.360 -7.610 -1.487 1.00 0.00 C ATOM 201 C PRO A 17 -13.189 -7.946 -0.569 1.00 0.00 C ATOM 202 O PRO A 17 -13.363 -8.456 0.539 1.00 0.00 O ATOM 203 CB PRO A 17 -14.616 -6.100 -1.495 1.00 0.00 C ATOM 204 CG PRO A 17 -15.681 -5.891 -0.475 1.00 0.00 C ATOM 205 CD PRO A 17 -16.545 -7.121 -0.520 1.00 0.00 C ATOM 0 HA PRO A 17 -14.084 -8.015 -2.461 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.713 -5.544 -1.244 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.938 -5.758 -2.479 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.250 -5.753 0.517 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -16.263 -4.997 -0.697 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.951 -7.363 0.462 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -17.393 -6.992 -1.192 1.00 0.00 H new ATOM 213 N PRO A 18 -11.966 -7.657 -1.038 1.00 0.00 N ATOM 214 CA PRO A 18 -10.742 -7.920 -0.274 1.00 0.00 C ATOM 215 C PRO A 18 -10.604 -7.000 0.934 1.00 0.00 C ATOM 216 O PRO A 18 -11.167 -5.906 0.960 1.00 0.00 O ATOM 217 CB PRO A 18 -9.627 -7.645 -1.286 1.00 0.00 C ATOM 218 CG PRO A 18 -10.227 -6.691 -2.260 1.00 0.00 C ATOM 219 CD PRO A 18 -11.684 -7.050 -2.349 1.00 0.00 C ATOM 0 HA PRO A 18 -10.726 -8.930 0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.749 -7.217 -0.802 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.304 -8.562 -1.778 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.099 -5.661 -1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.745 -6.773 -3.234 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.304 -6.171 -2.527 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.877 -7.747 -3.165 1.00 0.00 H new ATOM 227 N GLU A 19 -9.852 -7.451 1.933 1.00 0.00 N ATOM 228 CA GLU A 19 -9.641 -6.668 3.144 1.00 0.00 C ATOM 229 C GLU A 19 -8.299 -5.943 3.097 1.00 0.00 C ATOM 230 O GLU A 19 -7.467 -6.212 2.230 1.00 0.00 O ATOM 231 CB GLU A 19 -9.703 -7.569 4.378 1.00 0.00 C ATOM 232 CG GLU A 19 -8.398 -8.290 4.673 1.00 0.00 C ATOM 233 CD GLU A 19 -8.433 -9.050 5.984 1.00 0.00 C ATOM 234 OE1 GLU A 19 -9.057 -10.132 6.023 1.00 0.00 O ATOM 235 OE2 GLU A 19 -7.839 -8.565 6.968 1.00 0.00 O ATOM 0 H GLU A 19 -9.379 -8.355 1.927 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.435 -5.923 3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.979 -6.967 5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.493 -8.307 4.239 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.179 -8.984 3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.585 -7.565 4.700 1.00 0.00 H new ATOM 242 N ALA A 20 -8.096 -5.022 4.033 1.00 0.00 N ATOM 243 CA ALA A 20 -6.855 -4.260 4.101 1.00 0.00 C ATOM 244 C ALA A 20 -5.671 -5.166 4.417 1.00 0.00 C ATOM 245 O ALA A 20 -5.649 -5.868 5.429 1.00 0.00 O ATOM 246 CB ALA A 20 -6.970 -3.154 5.139 1.00 0.00 C ATOM 0 H ALA A 20 -8.776 -4.785 4.756 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.681 -3.808 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.036 -2.594 5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.785 -2.483 4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.172 -3.592 6.116 1.00 0.00 H new ATOM 252 N PRO A 21 -4.661 -5.153 3.534 1.00 0.00 N ATOM 253 CA PRO A 21 -3.455 -5.969 3.698 1.00 0.00 C ATOM 254 C PRO A 21 -2.582 -5.485 4.852 1.00 0.00 C ATOM 255 O PRO A 21 -2.755 -4.373 5.350 1.00 0.00 O ATOM 256 CB PRO A 21 -2.724 -5.795 2.365 1.00 0.00 C ATOM 257 CG PRO A 21 -3.197 -4.482 1.842 1.00 0.00 C ATOM 258 CD PRO A 21 -4.621 -4.341 2.306 1.00 0.00 C ATOM 0 HA PRO A 21 -3.693 -7.006 3.936 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.643 -5.800 2.503 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.961 -6.605 1.675 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.581 -3.666 2.220 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.136 -4.450 0.754 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.878 -3.300 2.504 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.325 -4.707 1.559 1.00 0.00 H new ATOM 266 N ASP A 22 -1.643 -6.327 5.270 1.00 0.00 N ATOM 267 CA ASP A 22 -0.741 -5.985 6.364 1.00 0.00 C ATOM 268 C ASP A 22 -0.067 -4.641 6.112 1.00 0.00 C ATOM 269 O ASP A 22 -0.246 -4.034 5.056 1.00 0.00 O ATOM 270 CB ASP A 22 0.317 -7.075 6.541 1.00 0.00 C ATOM 271 CG ASP A 22 0.834 -7.155 7.964 1.00 0.00 C ATOM 272 OD1 ASP A 22 0.078 -6.794 8.891 1.00 0.00 O ATOM 273 OD2 ASP A 22 1.993 -7.579 8.152 1.00 0.00 O ATOM 0 H ASP A 22 -1.487 -7.251 4.868 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.330 -5.910 7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.107 -8.038 6.257 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.150 -6.882 5.865 1.00 0.00 H new ATOM 278 N ARG A 23 0.707 -4.180 7.089 1.00 0.00 N ATOM 279 CA ARG A 23 1.406 -2.906 6.973 1.00 0.00 C ATOM 280 C ARG A 23 2.675 -3.055 6.139 1.00 0.00 C ATOM 281 O ARG A 23 3.558 -3.856 6.445 1.00 0.00 O ATOM 282 CB ARG A 23 1.756 -2.364 8.361 1.00 0.00 C ATOM 283 CG ARG A 23 1.957 -0.858 8.394 1.00 0.00 C ATOM 284 CD ARG A 23 2.043 -0.339 9.821 1.00 0.00 C ATOM 285 NE ARG A 23 3.207 -0.869 10.526 1.00 0.00 N ATOM 286 CZ ARG A 23 3.699 -0.334 11.638 1.00 0.00 C ATOM 287 NH1 ARG A 23 3.130 0.739 12.169 1.00 0.00 N ATOM 288 NH2 ARG A 23 4.761 -0.874 12.222 1.00 0.00 N ATOM 0 H ARG A 23 0.866 -4.670 7.970 1.00 0.00 H new ATOM 0 HA ARG A 23 0.743 -2.201 6.471 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.961 -2.631 9.057 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.665 -2.851 8.713 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.869 -0.600 7.856 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.132 -0.368 7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.091 0.750 9.809 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.137 -0.612 10.361 1.00 0.00 H new ATOM 0 HE ARG A 23 3.667 -1.695 10.144 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.312 1.156 11.724 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.510 1.148 13.023 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.200 -1.701 11.817 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.138 -0.462 13.076 1.00 0.00 H new ATOM 302 N PRO A 24 2.769 -2.266 5.059 1.00 0.00 N ATOM 303 CA PRO A 24 3.925 -2.291 4.158 1.00 0.00 C ATOM 304 C PRO A 24 5.179 -1.717 4.807 1.00 0.00 C ATOM 305 O PRO A 24 5.110 -0.758 5.576 1.00 0.00 O ATOM 306 CB PRO A 24 3.481 -1.414 2.985 1.00 0.00 C ATOM 307 CG PRO A 24 2.458 -0.498 3.563 1.00 0.00 C ATOM 308 CD PRO A 24 1.754 -1.287 4.634 1.00 0.00 C ATOM 0 HA PRO A 24 4.194 -3.307 3.870 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.320 -0.857 2.567 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.063 -2.015 2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.924 0.395 3.979 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.756 -0.165 2.799 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.439 -0.650 5.461 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.859 -1.777 4.250 1.00 0.00 H new ATOM 316 N THR A 25 6.327 -2.310 4.494 1.00 0.00 N ATOM 317 CA THR A 25 7.597 -1.857 5.048 1.00 0.00 C ATOM 318 C THR A 25 8.286 -0.874 4.110 1.00 0.00 C ATOM 319 O THR A 25 7.921 -0.757 2.940 1.00 0.00 O ATOM 320 CB THR A 25 8.545 -3.041 5.319 1.00 0.00 C ATOM 321 OG1 THR A 25 9.627 -2.620 6.157 1.00 0.00 O ATOM 322 CG2 THR A 25 9.094 -3.603 4.017 1.00 0.00 C ATOM 0 H THR A 25 6.403 -3.105 3.860 1.00 0.00 H new ATOM 0 HA THR A 25 7.371 -1.358 5.991 1.00 0.00 H new ATOM 0 HB THR A 25 7.979 -3.824 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.224 -3.378 6.326 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.761 -4.438 4.233 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.269 -3.949 3.394 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.646 -2.825 3.489 1.00 0.00 H new ATOM 330 N ILE A 26 9.285 -0.168 4.630 1.00 0.00 N ATOM 331 CA ILE A 26 10.027 0.805 3.839 1.00 0.00 C ATOM 332 C ILE A 26 11.525 0.528 3.890 1.00 0.00 C ATOM 333 O ILE A 26 12.114 0.438 4.968 1.00 0.00 O ATOM 334 CB ILE A 26 9.765 2.243 4.323 1.00 0.00 C ATOM 335 CG1 ILE A 26 8.310 2.396 4.773 1.00 0.00 C ATOM 336 CG2 ILE A 26 10.093 3.241 3.222 1.00 0.00 C ATOM 337 CD1 ILE A 26 7.307 1.910 3.750 1.00 0.00 C ATOM 0 H ILE A 26 9.599 -0.252 5.597 1.00 0.00 H new ATOM 0 HA ILE A 26 9.677 0.708 2.811 1.00 0.00 H new ATOM 0 HB ILE A 26 10.413 2.447 5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.166 1.845 5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.114 3.446 4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.903 4.253 3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.143 3.145 2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.469 3.040 2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.297 2.049 4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.424 2.478 2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.476 0.852 3.549 1.00 0.00 H new ATOM 349 N SER A 27 12.138 0.395 2.717 1.00 0.00 N ATOM 350 CA SER A 27 13.569 0.128 2.629 1.00 0.00 C ATOM 351 C SER A 27 14.254 1.133 1.708 1.00 0.00 C ATOM 352 O SER A 27 13.605 2.002 1.125 1.00 0.00 O ATOM 353 CB SER A 27 13.812 -1.295 2.120 1.00 0.00 C ATOM 354 OG SER A 27 13.844 -2.221 3.192 1.00 0.00 O ATOM 0 H SER A 27 11.666 0.468 1.816 1.00 0.00 H new ATOM 0 HA SER A 27 13.995 0.228 3.627 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.025 -1.573 1.418 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.754 -1.333 1.574 1.00 0.00 H new ATOM 0 HG SER A 27 13.999 -3.123 2.841 1.00 0.00 H new ATOM 360 N THR A 28 15.571 1.008 1.582 1.00 0.00 N ATOM 361 CA THR A 28 16.346 1.905 0.734 1.00 0.00 C ATOM 362 C THR A 28 16.564 1.302 -0.650 1.00 0.00 C ATOM 363 O THR A 28 17.427 0.446 -0.835 1.00 0.00 O ATOM 364 CB THR A 28 17.716 2.228 1.362 1.00 0.00 C ATOM 365 OG1 THR A 28 17.545 2.642 2.721 1.00 0.00 O ATOM 366 CG2 THR A 28 18.426 3.321 0.578 1.00 0.00 C ATOM 0 H THR A 28 16.124 0.294 2.057 1.00 0.00 H new ATOM 0 HA THR A 28 15.771 2.826 0.640 1.00 0.00 H new ATOM 0 HB THR A 28 18.328 1.326 1.332 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.420 2.844 3.114 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.391 3.532 1.040 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.580 2.990 -0.449 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.817 4.225 0.581 1.00 0.00 H new ATOM 374 N ALA A 29 15.775 1.757 -1.618 1.00 0.00 N ATOM 375 CA ALA A 29 15.883 1.264 -2.986 1.00 0.00 C ATOM 376 C ALA A 29 16.629 2.258 -3.870 1.00 0.00 C ATOM 377 O ALA A 29 17.455 1.871 -4.696 1.00 0.00 O ATOM 378 CB ALA A 29 14.501 0.981 -3.556 1.00 0.00 C ATOM 0 H ALA A 29 15.054 2.466 -1.480 1.00 0.00 H new ATOM 0 HA ALA A 29 16.453 0.335 -2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.597 0.614 -4.578 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.003 0.228 -2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.912 1.898 -3.554 1.00 0.00 H new ATOM 384 N SER A 30 16.331 3.541 -3.691 1.00 0.00 N ATOM 385 CA SER A 30 16.970 4.591 -4.475 1.00 0.00 C ATOM 386 C SER A 30 16.868 5.938 -3.766 1.00 0.00 C ATOM 387 O SER A 30 16.385 6.022 -2.638 1.00 0.00 O ATOM 388 CB SER A 30 16.331 4.681 -5.862 1.00 0.00 C ATOM 389 OG SER A 30 17.273 5.106 -6.831 1.00 0.00 O ATOM 0 H SER A 30 15.651 3.878 -3.010 1.00 0.00 H new ATOM 0 HA SER A 30 18.025 4.338 -4.584 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.928 3.708 -6.144 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.493 5.377 -5.835 1.00 0.00 H new ATOM 0 HG SER A 30 16.840 5.154 -7.709 1.00 0.00 H new ATOM 395 N GLU A 31 17.327 6.990 -4.438 1.00 0.00 N ATOM 396 CA GLU A 31 17.289 8.332 -3.872 1.00 0.00 C ATOM 397 C GLU A 31 15.934 8.989 -4.122 1.00 0.00 C ATOM 398 O GLU A 31 15.582 9.979 -3.480 1.00 0.00 O ATOM 399 CB GLU A 31 18.403 9.195 -4.470 1.00 0.00 C ATOM 400 CG GLU A 31 17.983 9.953 -5.718 1.00 0.00 C ATOM 401 CD GLU A 31 19.167 10.453 -6.522 1.00 0.00 C ATOM 402 OE1 GLU A 31 20.174 10.858 -5.904 1.00 0.00 O ATOM 403 OE2 GLU A 31 19.086 10.442 -7.768 1.00 0.00 O ATOM 0 H GLU A 31 17.729 6.938 -5.374 1.00 0.00 H new ATOM 0 HA GLU A 31 17.442 8.249 -2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.741 9.908 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 31 19.254 8.558 -4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.371 9.304 -6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.359 10.800 -5.432 1.00 0.00 H new ATOM 410 N THR A 32 15.176 8.431 -5.061 1.00 0.00 N ATOM 411 CA THR A 32 13.861 8.962 -5.397 1.00 0.00 C ATOM 412 C THR A 32 12.782 7.896 -5.241 1.00 0.00 C ATOM 413 O THR A 32 11.608 8.144 -5.514 1.00 0.00 O ATOM 414 CB THR A 32 13.826 9.504 -6.838 1.00 0.00 C ATOM 415 OG1 THR A 32 14.455 8.573 -7.727 1.00 0.00 O ATOM 416 CG2 THR A 32 14.528 10.851 -6.926 1.00 0.00 C ATOM 0 H THR A 32 15.451 7.611 -5.602 1.00 0.00 H new ATOM 0 HA THR A 32 13.663 9.780 -4.704 1.00 0.00 H new ATOM 0 HB THR A 32 12.784 9.635 -7.129 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.427 8.924 -8.642 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.491 11.214 -7.953 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.029 11.565 -6.270 1.00 0.00 H new ATOM 0 HG23 THR A 32 15.568 10.740 -6.618 1.00 0.00 H new ATOM 424 N SER A 33 13.187 6.710 -4.799 1.00 0.00 N ATOM 425 CA SER A 33 12.254 5.605 -4.610 1.00 0.00 C ATOM 426 C SER A 33 12.650 4.761 -3.402 1.00 0.00 C ATOM 427 O SER A 33 13.747 4.905 -2.862 1.00 0.00 O ATOM 428 CB SER A 33 12.206 4.730 -5.863 1.00 0.00 C ATOM 429 OG SER A 33 13.298 3.828 -5.898 1.00 0.00 O ATOM 0 H SER A 33 14.155 6.489 -4.565 1.00 0.00 H new ATOM 0 HA SER A 33 11.264 6.024 -4.430 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.269 4.173 -5.885 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.223 5.361 -6.752 1.00 0.00 H new ATOM 0 HG SER A 33 13.831 3.991 -6.704 1.00 0.00 H new ATOM 435 N VAL A 34 11.748 3.880 -2.982 1.00 0.00 N ATOM 436 CA VAL A 34 12.001 3.012 -1.839 1.00 0.00 C ATOM 437 C VAL A 34 11.318 1.660 -2.014 1.00 0.00 C ATOM 438 O VAL A 34 10.236 1.569 -2.593 1.00 0.00 O ATOM 439 CB VAL A 34 11.512 3.654 -0.527 1.00 0.00 C ATOM 440 CG1 VAL A 34 12.255 4.954 -0.260 1.00 0.00 C ATOM 441 CG2 VAL A 34 10.010 3.888 -0.576 1.00 0.00 C ATOM 0 H VAL A 34 10.835 3.749 -3.417 1.00 0.00 H new ATOM 0 HA VAL A 34 13.080 2.868 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 34 11.722 2.968 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.896 5.393 0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.323 4.752 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.079 5.649 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.682 4.342 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.772 4.554 -1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.498 2.936 -0.716 1.00 0.00 H new ATOM 451 N TYR A 35 11.959 0.610 -1.510 1.00 0.00 N ATOM 452 CA TYR A 35 11.416 -0.739 -1.613 1.00 0.00 C ATOM 453 C TYR A 35 10.309 -0.959 -0.586 1.00 0.00 C ATOM 454 O TYR A 35 10.543 -0.895 0.620 1.00 0.00 O ATOM 455 CB TYR A 35 12.524 -1.774 -1.414 1.00 0.00 C ATOM 456 CG TYR A 35 13.410 -1.954 -2.627 1.00 0.00 C ATOM 457 CD1 TYR A 35 12.864 -2.220 -3.877 1.00 0.00 C ATOM 458 CD2 TYR A 35 14.792 -1.854 -2.524 1.00 0.00 C ATOM 459 CE1 TYR A 35 13.668 -2.386 -4.987 1.00 0.00 C ATOM 460 CE2 TYR A 35 15.604 -2.017 -3.629 1.00 0.00 C ATOM 461 CZ TYR A 35 15.038 -2.283 -4.858 1.00 0.00 C ATOM 462 OH TYR A 35 15.843 -2.446 -5.962 1.00 0.00 O ATOM 0 H TYR A 35 12.855 0.668 -1.026 1.00 0.00 H new ATOM 0 HA TYR A 35 10.992 -0.858 -2.610 1.00 0.00 H new ATOM 0 HB2 TYR A 35 13.140 -1.476 -0.566 1.00 0.00 H new ATOM 0 HB3 TYR A 35 12.073 -2.733 -1.159 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.792 -2.298 -3.982 1.00 0.00 H new ATOM 0 HD2 TYR A 35 15.239 -1.645 -1.563 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.227 -2.595 -5.951 1.00 0.00 H new ATOM 0 HE2 TYR A 35 16.677 -1.937 -3.531 1.00 0.00 H new ATOM 0 HH TYR A 35 16.782 -2.341 -5.701 1.00 0.00 H new ATOM 472 N VAL A 36 9.101 -1.221 -1.076 1.00 0.00 N ATOM 473 CA VAL A 36 7.956 -1.453 -0.203 1.00 0.00 C ATOM 474 C VAL A 36 7.488 -2.902 -0.285 1.00 0.00 C ATOM 475 O VAL A 36 7.277 -3.438 -1.374 1.00 0.00 O ATOM 476 CB VAL A 36 6.781 -0.524 -0.559 1.00 0.00 C ATOM 477 CG1 VAL A 36 5.578 -0.824 0.322 1.00 0.00 C ATOM 478 CG2 VAL A 36 7.197 0.934 -0.430 1.00 0.00 C ATOM 0 H VAL A 36 8.890 -1.278 -2.072 1.00 0.00 H new ATOM 0 HA VAL A 36 8.284 -1.237 0.814 1.00 0.00 H new ATOM 0 HB VAL A 36 6.497 -0.706 -1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.757 -0.158 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.268 -1.859 0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.845 -0.671 1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.354 1.577 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.508 1.134 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.026 1.137 -1.107 1.00 0.00 H new ATOM 488 N THR A 37 7.325 -3.532 0.874 1.00 0.00 N ATOM 489 CA THR A 37 6.881 -4.919 0.934 1.00 0.00 C ATOM 490 C THR A 37 5.697 -5.078 1.881 1.00 0.00 C ATOM 491 O THR A 37 5.779 -4.720 3.056 1.00 0.00 O ATOM 492 CB THR A 37 8.018 -5.853 1.391 1.00 0.00 C ATOM 493 OG1 THR A 37 9.140 -5.727 0.509 1.00 0.00 O ATOM 494 CG2 THR A 37 7.550 -7.300 1.420 1.00 0.00 C ATOM 0 H THR A 37 7.494 -3.104 1.784 1.00 0.00 H new ATOM 0 HA THR A 37 6.575 -5.196 -0.075 1.00 0.00 H new ATOM 0 HB THR A 37 8.314 -5.563 2.399 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.859 -6.323 0.807 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.369 -7.941 1.745 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.715 -7.398 2.113 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.230 -7.599 0.422 1.00 0.00 H new ATOM 502 N TRP A 38 4.600 -5.616 1.363 1.00 0.00 N ATOM 503 CA TRP A 38 3.398 -5.821 2.163 1.00 0.00 C ATOM 504 C TRP A 38 2.987 -7.290 2.161 1.00 0.00 C ATOM 505 O TRP A 38 3.522 -8.092 1.394 1.00 0.00 O ATOM 506 CB TRP A 38 2.253 -4.958 1.635 1.00 0.00 C ATOM 507 CG TRP A 38 1.777 -5.370 0.274 1.00 0.00 C ATOM 508 CD1 TRP A 38 0.667 -6.111 -0.016 1.00 0.00 C ATOM 509 CD2 TRP A 38 2.398 -5.067 -0.979 1.00 0.00 C ATOM 510 NE1 TRP A 38 0.561 -6.286 -1.375 1.00 0.00 N ATOM 511 CE2 TRP A 38 1.611 -5.655 -1.988 1.00 0.00 C ATOM 512 CE3 TRP A 38 3.543 -4.354 -1.349 1.00 0.00 C ATOM 513 CZ2 TRP A 38 1.933 -5.552 -3.338 1.00 0.00 C ATOM 514 CZ3 TRP A 38 3.861 -4.253 -2.689 1.00 0.00 C ATOM 515 CH2 TRP A 38 3.057 -4.848 -3.671 1.00 0.00 C ATOM 0 H TRP A 38 4.517 -5.918 0.392 1.00 0.00 H new ATOM 0 HA TRP A 38 3.621 -5.526 3.188 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.418 -5.007 2.334 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.578 -3.918 1.599 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -0.025 -6.502 0.715 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -0.179 -6.802 -1.850 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.168 -3.890 -0.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 1.317 -6.012 -4.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.744 -3.706 -2.985 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.331 -4.748 -4.711 1.00 0.00 H new ATOM 526 N ILE A 39 2.036 -7.636 3.022 1.00 0.00 N ATOM 527 CA ILE A 39 1.553 -9.007 3.116 1.00 0.00 C ATOM 528 C ILE A 39 0.030 -9.054 3.141 1.00 0.00 C ATOM 529 O ILE A 39 -0.612 -8.699 4.131 1.00 0.00 O ATOM 530 CB ILE A 39 2.098 -9.711 4.373 1.00 0.00 C ATOM 531 CG1 ILE A 39 3.615 -9.536 4.465 1.00 0.00 C ATOM 532 CG2 ILE A 39 1.729 -11.186 4.356 1.00 0.00 C ATOM 533 CD1 ILE A 39 4.374 -10.266 3.379 1.00 0.00 C ATOM 0 H ILE A 39 1.585 -6.985 3.665 1.00 0.00 H new ATOM 0 HA ILE A 39 1.915 -9.530 2.231 1.00 0.00 H new ATOM 0 HB ILE A 39 1.645 -9.254 5.253 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.854 -8.474 4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.955 -9.892 5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.121 -11.670 5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.644 -11.289 4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.157 -11.658 3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.443 -10.098 3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.165 -11.334 3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.062 -9.893 2.403 1.00 0.00 H new ATOM 545 N PRO A 40 -0.568 -9.503 2.027 1.00 0.00 N ATOM 546 CA PRO A 40 -2.024 -9.609 1.897 1.00 0.00 C ATOM 547 C PRO A 40 -2.605 -10.715 2.772 1.00 0.00 C ATOM 548 O PRO A 40 -2.068 -11.821 2.829 1.00 0.00 O ATOM 549 CB PRO A 40 -2.224 -9.939 0.416 1.00 0.00 C ATOM 550 CG PRO A 40 -0.953 -10.593 -0.002 1.00 0.00 C ATOM 551 CD PRO A 40 0.133 -9.943 0.809 1.00 0.00 C ATOM 0 HA PRO A 40 -2.529 -8.698 2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.077 -10.602 0.270 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.416 -9.039 -0.168 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.988 -11.667 0.182 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.777 -10.458 -1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.937 -10.643 1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.583 -9.104 0.279 1.00 0.00 H new ATOM 559 N ARG A 41 -3.705 -10.408 3.453 1.00 0.00 N ATOM 560 CA ARG A 41 -4.358 -11.376 4.325 1.00 0.00 C ATOM 561 C ARG A 41 -5.567 -12.001 3.635 1.00 0.00 C ATOM 562 O ARG A 41 -5.549 -13.177 3.274 1.00 0.00 O ATOM 563 CB ARG A 41 -4.792 -10.706 5.631 1.00 0.00 C ATOM 564 CG ARG A 41 -3.837 -9.624 6.106 1.00 0.00 C ATOM 565 CD ARG A 41 -2.417 -10.152 6.241 1.00 0.00 C ATOM 566 NE ARG A 41 -2.156 -10.681 7.577 1.00 0.00 N ATOM 567 CZ ARG A 41 -0.936 -10.841 8.078 1.00 0.00 C ATOM 568 NH1 ARG A 41 0.128 -10.513 7.357 1.00 0.00 N ATOM 569 NH2 ARG A 41 -0.778 -11.328 9.302 1.00 0.00 N ATOM 0 H ARG A 41 -4.162 -9.497 3.417 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.642 -12.166 4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.782 -10.271 5.495 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.882 -11.466 6.407 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.851 -8.791 5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.175 -9.236 7.067 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.249 -10.935 5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.710 -9.351 6.023 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.954 -10.942 8.157 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.010 -10.137 6.416 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.064 -10.637 7.744 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.594 -11.580 9.860 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.159 -11.450 9.685 1.00 0.00 H new ATOM 583 N GLY A 42 -6.618 -11.206 3.457 1.00 0.00 N ATOM 584 CA GLY A 42 -7.820 -11.698 2.812 1.00 0.00 C ATOM 585 C GLY A 42 -7.984 -11.162 1.404 1.00 0.00 C ATOM 586 O GLY A 42 -7.391 -10.145 1.047 1.00 0.00 O ATOM 0 H GLY A 42 -6.658 -10.229 3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.792 -12.787 2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.689 -11.418 3.408 1.00 0.00 H new ATOM 590 N ASN A 43 -8.792 -11.848 0.601 1.00 0.00 N ATOM 591 CA ASN A 43 -9.030 -11.436 -0.778 1.00 0.00 C ATOM 592 C ASN A 43 -10.522 -11.270 -1.045 1.00 0.00 C ATOM 593 O ASN A 43 -10.936 -11.009 -2.173 1.00 0.00 O ATOM 594 CB ASN A 43 -8.437 -12.461 -1.748 1.00 0.00 C ATOM 595 CG ASN A 43 -8.952 -13.864 -1.493 1.00 0.00 C ATOM 596 OD1 ASN A 43 -9.761 -14.085 -0.591 1.00 0.00 O ATOM 597 ND2 ASN A 43 -8.485 -14.818 -2.288 1.00 0.00 N ATOM 0 H ASN A 43 -9.293 -12.691 0.882 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.542 -10.474 -0.934 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.676 -12.170 -2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.351 -12.454 -1.660 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.795 -15.782 -2.165 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.816 -14.588 -3.022 1.00 0.00 H new ATOM 604 N GLY A 44 -11.327 -11.422 0.003 1.00 0.00 N ATOM 605 CA GLY A 44 -12.764 -11.285 -0.139 1.00 0.00 C ATOM 606 C GLY A 44 -13.421 -12.552 -0.648 1.00 0.00 C ATOM 607 O GLY A 44 -14.636 -12.599 -0.836 1.00 0.00 O ATOM 0 H GLY A 44 -11.009 -11.638 0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.197 -11.017 0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.982 -10.466 -0.825 1.00 0.00 H new ATOM 611 N GLY A 45 -12.613 -13.585 -0.875 1.00 0.00 N ATOM 612 CA GLY A 45 -13.140 -14.845 -1.365 1.00 0.00 C ATOM 613 C GLY A 45 -12.728 -15.129 -2.796 1.00 0.00 C ATOM 614 O GLY A 45 -12.694 -16.283 -3.223 1.00 0.00 O ATOM 0 H GLY A 45 -11.604 -13.571 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.793 -15.655 -0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.228 -14.830 -1.300 1.00 0.00 H new ATOM 618 N PHE A 46 -12.415 -14.074 -3.541 1.00 0.00 N ATOM 619 CA PHE A 46 -12.006 -14.214 -4.933 1.00 0.00 C ATOM 620 C PHE A 46 -10.516 -13.920 -5.094 1.00 0.00 C ATOM 621 O PHE A 46 -9.881 -13.314 -4.232 1.00 0.00 O ATOM 622 CB PHE A 46 -12.820 -13.275 -5.824 1.00 0.00 C ATOM 623 CG PHE A 46 -14.065 -13.906 -6.380 1.00 0.00 C ATOM 624 CD1 PHE A 46 -14.021 -15.168 -6.951 1.00 0.00 C ATOM 625 CD2 PHE A 46 -15.278 -13.238 -6.331 1.00 0.00 C ATOM 626 CE1 PHE A 46 -15.165 -15.751 -7.464 1.00 0.00 C ATOM 627 CE2 PHE A 46 -16.425 -13.817 -6.842 1.00 0.00 C ATOM 628 CZ PHE A 46 -16.368 -15.075 -7.408 1.00 0.00 C ATOM 0 H PHE A 46 -12.437 -13.112 -3.203 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.192 -15.244 -5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -13.096 -12.390 -5.250 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.194 -12.937 -6.650 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -13.083 -15.702 -6.996 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -15.328 -12.254 -5.889 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -15.118 -16.734 -7.908 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.364 -13.286 -6.798 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.263 -15.530 -7.806 1.00 0.00 H new ATOM 638 N PRO A 47 -9.946 -14.363 -6.224 1.00 0.00 N ATOM 639 CA PRO A 47 -8.526 -14.160 -6.526 1.00 0.00 C ATOM 640 C PRO A 47 -8.197 -12.699 -6.816 1.00 0.00 C ATOM 641 O PRO A 47 -8.687 -12.124 -7.788 1.00 0.00 O ATOM 642 CB PRO A 47 -8.303 -15.016 -7.775 1.00 0.00 C ATOM 643 CG PRO A 47 -9.644 -15.103 -8.418 1.00 0.00 C ATOM 644 CD PRO A 47 -10.643 -15.093 -7.296 1.00 0.00 C ATOM 0 HA PRO A 47 -7.888 -14.433 -5.685 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.572 -14.559 -8.443 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.923 -16.004 -7.515 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.808 -14.264 -9.094 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.734 -16.013 -9.012 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.568 -14.594 -7.586 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.909 -16.104 -6.986 1.00 0.00 H new ATOM 652 N ILE A 48 -7.366 -12.105 -5.966 1.00 0.00 N ATOM 653 CA ILE A 48 -6.972 -10.712 -6.133 1.00 0.00 C ATOM 654 C ILE A 48 -6.546 -10.428 -7.570 1.00 0.00 C ATOM 655 O ILE A 48 -5.799 -11.202 -8.169 1.00 0.00 O ATOM 656 CB ILE A 48 -5.819 -10.335 -5.184 1.00 0.00 C ATOM 657 CG1 ILE A 48 -6.293 -10.375 -3.729 1.00 0.00 C ATOM 658 CG2 ILE A 48 -5.274 -8.958 -5.532 1.00 0.00 C ATOM 659 CD1 ILE A 48 -5.170 -10.242 -2.724 1.00 0.00 C ATOM 0 H ILE A 48 -6.953 -12.566 -5.156 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.845 -10.107 -5.889 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.016 -11.062 -5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.012 -9.572 -3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.819 -11.313 -3.552 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.460 -8.706 -4.852 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.903 -8.962 -6.557 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.068 -8.218 -5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.579 -10.279 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.462 -11.060 -2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.658 -9.291 -2.874 1.00 0.00 H new ATOM 671 N GLN A 49 -7.024 -9.314 -8.114 1.00 0.00 N ATOM 672 CA GLN A 49 -6.691 -8.930 -9.481 1.00 0.00 C ATOM 673 C GLN A 49 -5.381 -8.149 -9.522 1.00 0.00 C ATOM 674 O GLN A 49 -4.470 -8.487 -10.277 1.00 0.00 O ATOM 675 CB GLN A 49 -7.818 -8.090 -10.085 1.00 0.00 C ATOM 676 CG GLN A 49 -9.074 -8.889 -10.391 1.00 0.00 C ATOM 677 CD GLN A 49 -10.038 -8.140 -11.290 1.00 0.00 C ATOM 678 OE1 GLN A 49 -9.796 -6.990 -11.657 1.00 0.00 O ATOM 679 NE2 GLN A 49 -11.139 -8.789 -11.650 1.00 0.00 N ATOM 0 H GLN A 49 -7.642 -8.662 -7.631 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.570 -9.840 -10.069 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.069 -7.284 -9.395 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.461 -7.624 -11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.795 -9.829 -10.867 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.576 -9.141 -9.457 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.300 -9.742 -11.323 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.824 -8.335 -12.254 1.00 0.00 H new ATOM 688 N SER A 50 -5.295 -7.103 -8.707 1.00 0.00 N ATOM 689 CA SER A 50 -4.099 -6.272 -8.654 1.00 0.00 C ATOM 690 C SER A 50 -4.048 -5.475 -7.353 1.00 0.00 C ATOM 691 O SER A 50 -5.059 -5.316 -6.670 1.00 0.00 O ATOM 692 CB SER A 50 -4.060 -5.320 -9.850 1.00 0.00 C ATOM 693 OG SER A 50 -3.547 -5.968 -11.001 1.00 0.00 O ATOM 0 H SER A 50 -6.040 -6.811 -8.074 1.00 0.00 H new ATOM 0 HA SER A 50 -3.229 -6.928 -8.693 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.064 -4.948 -10.055 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.442 -4.455 -9.610 1.00 0.00 H new ATOM 0 HG SER A 50 -3.721 -6.930 -10.939 1.00 0.00 H new ATOM 699 N PHE A 51 -2.863 -4.975 -7.018 1.00 0.00 N ATOM 700 CA PHE A 51 -2.678 -4.195 -5.801 1.00 0.00 C ATOM 701 C PHE A 51 -2.422 -2.727 -6.128 1.00 0.00 C ATOM 702 O PHE A 51 -2.155 -2.375 -7.277 1.00 0.00 O ATOM 703 CB PHE A 51 -1.514 -4.758 -4.980 1.00 0.00 C ATOM 704 CG PHE A 51 -1.799 -6.106 -4.382 1.00 0.00 C ATOM 705 CD1 PHE A 51 -2.807 -6.265 -3.444 1.00 0.00 C ATOM 706 CD2 PHE A 51 -1.059 -7.216 -4.759 1.00 0.00 C ATOM 707 CE1 PHE A 51 -3.070 -7.503 -2.893 1.00 0.00 C ATOM 708 CE2 PHE A 51 -1.319 -8.457 -4.211 1.00 0.00 C ATOM 709 CZ PHE A 51 -2.325 -8.601 -3.276 1.00 0.00 C ATOM 0 H PHE A 51 -2.016 -5.097 -7.573 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.594 -4.263 -5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.632 -4.831 -5.617 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.272 -4.058 -4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.393 -5.410 -3.141 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.270 -7.109 -5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.858 -7.613 -2.163 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.736 -9.314 -4.514 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.529 -9.570 -2.845 1.00 0.00 H new ATOM 719 N ARG A 52 -2.505 -1.877 -5.110 1.00 0.00 N ATOM 720 CA ARG A 52 -2.284 -0.447 -5.290 1.00 0.00 C ATOM 721 C ARG A 52 -1.538 0.141 -4.096 1.00 0.00 C ATOM 722 O ARG A 52 -1.762 -0.257 -2.952 1.00 0.00 O ATOM 723 CB ARG A 52 -3.618 0.277 -5.479 1.00 0.00 C ATOM 724 CG ARG A 52 -4.393 -0.186 -6.702 1.00 0.00 C ATOM 725 CD ARG A 52 -5.544 0.756 -7.021 1.00 0.00 C ATOM 726 NE ARG A 52 -5.168 1.767 -8.006 1.00 0.00 N ATOM 727 CZ ARG A 52 -5.011 1.510 -9.299 1.00 0.00 C ATOM 728 NH1 ARG A 52 -5.198 0.282 -9.762 1.00 0.00 N ATOM 729 NH2 ARG A 52 -4.667 2.483 -10.133 1.00 0.00 N ATOM 0 H ARG A 52 -2.723 -2.153 -4.153 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.674 -0.308 -6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.232 0.127 -4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.432 1.348 -5.561 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.722 -0.245 -7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.780 -1.190 -6.530 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.390 0.180 -7.397 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.875 1.247 -6.106 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.018 2.723 -7.683 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.463 -0.469 -9.124 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.077 0.088 -10.756 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.523 3.429 -9.781 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.547 2.285 -11.126 1.00 0.00 H new ATOM 743 N VAL A 53 -0.651 1.094 -4.368 1.00 0.00 N ATOM 744 CA VAL A 53 0.127 1.738 -3.317 1.00 0.00 C ATOM 745 C VAL A 53 -0.124 3.241 -3.291 1.00 0.00 C ATOM 746 O VAL A 53 -0.183 3.888 -4.336 1.00 0.00 O ATOM 747 CB VAL A 53 1.635 1.483 -3.499 1.00 0.00 C ATOM 748 CG1 VAL A 53 2.425 2.126 -2.369 1.00 0.00 C ATOM 749 CG2 VAL A 53 1.918 -0.010 -3.576 1.00 0.00 C ATOM 0 H VAL A 53 -0.454 1.437 -5.308 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.196 1.302 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 53 1.952 1.938 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.488 1.935 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.246 3.201 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.107 1.703 -1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.988 -0.171 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.587 -0.491 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.382 -0.439 -4.423 1.00 0.00 H new ATOM 759 N GLU A 54 -0.270 3.791 -2.089 1.00 0.00 N ATOM 760 CA GLU A 54 -0.515 5.218 -1.928 1.00 0.00 C ATOM 761 C GLU A 54 0.384 5.806 -0.844 1.00 0.00 C ATOM 762 O GLU A 54 0.944 5.076 -0.024 1.00 0.00 O ATOM 763 CB GLU A 54 -1.984 5.470 -1.579 1.00 0.00 C ATOM 764 CG GLU A 54 -2.924 5.324 -2.763 1.00 0.00 C ATOM 765 CD GLU A 54 -4.331 4.943 -2.347 1.00 0.00 C ATOM 766 OE1 GLU A 54 -4.581 3.737 -2.138 1.00 0.00 O ATOM 767 OE2 GLU A 54 -5.183 5.849 -2.229 1.00 0.00 O ATOM 0 H GLU A 54 -0.223 3.269 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.284 5.709 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.287 4.774 -0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.084 6.475 -1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.954 6.263 -3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.532 4.567 -3.442 1.00 0.00 H new ATOM 774 N TYR A 55 0.519 7.128 -0.847 1.00 0.00 N ATOM 775 CA TYR A 55 1.353 7.813 0.133 1.00 0.00 C ATOM 776 C TYR A 55 0.714 9.128 0.568 1.00 0.00 C ATOM 777 O TYR A 55 -0.132 9.683 -0.133 1.00 0.00 O ATOM 778 CB TYR A 55 2.744 8.077 -0.445 1.00 0.00 C ATOM 779 CG TYR A 55 2.724 8.854 -1.741 1.00 0.00 C ATOM 780 CD1 TYR A 55 2.758 10.243 -1.742 1.00 0.00 C ATOM 781 CD2 TYR A 55 2.670 8.200 -2.966 1.00 0.00 C ATOM 782 CE1 TYR A 55 2.740 10.958 -2.924 1.00 0.00 C ATOM 783 CE2 TYR A 55 2.652 8.907 -4.153 1.00 0.00 C ATOM 784 CZ TYR A 55 2.686 10.286 -4.127 1.00 0.00 C ATOM 785 OH TYR A 55 2.667 10.992 -5.307 1.00 0.00 O ATOM 0 H TYR A 55 0.062 7.746 -1.517 1.00 0.00 H new ATOM 0 HA TYR A 55 1.446 7.168 1.007 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.335 8.626 0.289 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.246 7.124 -0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.799 10.773 -0.802 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.642 7.121 -2.991 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.768 12.037 -2.906 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.612 8.383 -5.096 1.00 0.00 H new ATOM 0 HH TYR A 55 2.629 10.367 -6.061 1.00 0.00 H new ATOM 795 N LYS A 56 1.124 9.622 1.731 1.00 0.00 N ATOM 796 CA LYS A 56 0.595 10.872 2.262 1.00 0.00 C ATOM 797 C LYS A 56 1.724 11.799 2.700 1.00 0.00 C ATOM 798 O LYS A 56 2.622 11.394 3.438 1.00 0.00 O ATOM 799 CB LYS A 56 -0.339 10.595 3.442 1.00 0.00 C ATOM 800 CG LYS A 56 -0.851 11.852 4.122 1.00 0.00 C ATOM 801 CD LYS A 56 -2.038 11.557 5.023 1.00 0.00 C ATOM 802 CE LYS A 56 -1.606 10.853 6.301 1.00 0.00 C ATOM 803 NZ LYS A 56 -2.734 10.707 7.262 1.00 0.00 N ATOM 0 H LYS A 56 1.822 9.175 2.325 1.00 0.00 H new ATOM 0 HA LYS A 56 0.032 11.364 1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.189 10.010 3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.188 9.984 4.175 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.050 12.300 4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.140 12.583 3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.547 12.488 5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.756 10.935 4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.208 9.868 6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.799 11.416 6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.399 10.223 8.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.098 11.648 7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.494 10.148 6.823 1.00 0.00 H new ATOM 817 N LYS A 57 1.671 13.045 2.242 1.00 0.00 N ATOM 818 CA LYS A 57 2.688 14.031 2.588 1.00 0.00 C ATOM 819 C LYS A 57 2.433 14.611 3.975 1.00 0.00 C ATOM 820 O LYS A 57 1.383 15.202 4.229 1.00 0.00 O ATOM 821 CB LYS A 57 2.712 15.155 1.550 1.00 0.00 C ATOM 822 CG LYS A 57 3.475 14.801 0.286 1.00 0.00 C ATOM 823 CD LYS A 57 3.199 15.795 -0.830 1.00 0.00 C ATOM 824 CE LYS A 57 1.912 15.462 -1.567 1.00 0.00 C ATOM 825 NZ LYS A 57 1.806 16.196 -2.859 1.00 0.00 N ATOM 0 H LYS A 57 0.934 13.396 1.630 1.00 0.00 H new ATOM 0 HA LYS A 57 3.656 13.531 2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.687 15.415 1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.160 16.042 1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.544 14.780 0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.195 13.799 -0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.132 16.801 -0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.032 15.795 -1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.868 14.389 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.058 15.711 -0.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.915 15.942 -3.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.822 17.220 -2.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.607 15.939 -3.471 1.00 0.00 H new ATOM 839 N LEU A 58 3.401 14.440 4.869 1.00 0.00 N ATOM 840 CA LEU A 58 3.282 14.949 6.232 1.00 0.00 C ATOM 841 C LEU A 58 3.658 16.425 6.297 1.00 0.00 C ATOM 842 O LEU A 58 3.018 17.211 6.997 1.00 0.00 O ATOM 843 CB LEU A 58 4.174 14.141 7.178 1.00 0.00 C ATOM 844 CG LEU A 58 3.996 12.624 7.135 1.00 0.00 C ATOM 845 CD1 LEU A 58 4.900 11.952 8.157 1.00 0.00 C ATOM 846 CD2 LEU A 58 2.541 12.250 7.379 1.00 0.00 C ATOM 0 H LEU A 58 4.276 13.953 4.675 1.00 0.00 H new ATOM 0 HA LEU A 58 2.243 14.844 6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.215 14.371 6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.989 14.480 8.197 1.00 0.00 H new ATOM 0 HG LEU A 58 4.279 12.272 6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.760 10.872 8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.940 12.192 7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.649 12.309 9.156 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.433 11.166 7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.231 12.615 8.358 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.915 12.701 6.609 1.00 0.00 H new ATOM 937 N TRP A 64 -4.196 11.581 0.526 1.00 0.00 N ATOM 938 CA TRP A 64 -3.275 10.558 0.045 1.00 0.00 C ATOM 939 C TRP A 64 -3.146 10.611 -1.473 1.00 0.00 C ATOM 940 O TRP A 64 -4.008 11.161 -2.159 1.00 0.00 O ATOM 941 CB TRP A 64 -3.750 9.169 0.480 1.00 0.00 C ATOM 942 CG TRP A 64 -3.606 8.927 1.951 1.00 0.00 C ATOM 943 CD1 TRP A 64 -4.343 9.491 2.952 1.00 0.00 C ATOM 944 CD2 TRP A 64 -2.664 8.056 2.587 1.00 0.00 C ATOM 945 NE1 TRP A 64 -3.917 9.023 4.172 1.00 0.00 N ATOM 946 CE2 TRP A 64 -2.888 8.142 3.975 1.00 0.00 C ATOM 947 CE3 TRP A 64 -1.653 7.211 2.120 1.00 0.00 C ATOM 948 CZ2 TRP A 64 -2.138 7.415 4.897 1.00 0.00 C ATOM 949 CZ3 TRP A 64 -0.909 6.491 3.035 1.00 0.00 C ATOM 950 CH2 TRP A 64 -1.156 6.596 4.411 1.00 0.00 C ATOM 0 HA TRP A 64 -2.295 10.753 0.481 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.796 9.046 0.199 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.183 8.412 -0.063 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.144 10.201 2.807 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.305 9.289 5.077 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.457 7.122 1.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.325 7.495 5.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.124 5.837 2.684 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -0.559 6.019 5.101 1.00 0.00 H new ATOM 961 N ILE A 65 -2.064 10.039 -1.991 1.00 0.00 N ATOM 962 CA ILE A 65 -1.824 10.022 -3.429 1.00 0.00 C ATOM 963 C ILE A 65 -1.537 8.608 -3.921 1.00 0.00 C ATOM 964 O ILE A 65 -1.171 7.729 -3.140 1.00 0.00 O ATOM 965 CB ILE A 65 -0.647 10.937 -3.814 1.00 0.00 C ATOM 966 CG1 ILE A 65 -0.558 12.123 -2.851 1.00 0.00 C ATOM 967 CG2 ILE A 65 -0.799 11.421 -5.248 1.00 0.00 C ATOM 968 CD1 ILE A 65 -1.651 13.149 -3.054 1.00 0.00 C ATOM 0 H ILE A 65 -1.340 9.582 -1.437 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.732 10.392 -3.905 1.00 0.00 H new ATOM 0 HB ILE A 65 0.278 10.365 -3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.604 11.753 -1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.411 12.607 -2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.041 12.067 -5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.817 10.564 -5.921 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.730 11.980 -5.347 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.526 13.961 -2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.593 13.547 -4.067 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.623 12.680 -2.904 1.00 0.00 H new ATOM 980 N LEU A 66 -1.703 8.395 -5.222 1.00 0.00 N ATOM 981 CA LEU A 66 -1.460 7.087 -5.821 1.00 0.00 C ATOM 982 C LEU A 66 -0.090 7.043 -6.493 1.00 0.00 C ATOM 983 O LEU A 66 0.163 7.763 -7.457 1.00 0.00 O ATOM 984 CB LEU A 66 -2.551 6.760 -6.841 1.00 0.00 C ATOM 985 CG LEU A 66 -2.498 5.361 -7.455 1.00 0.00 C ATOM 986 CD1 LEU A 66 -2.572 4.298 -6.370 1.00 0.00 C ATOM 987 CD2 LEU A 66 -3.624 5.178 -8.462 1.00 0.00 C ATOM 0 H LEU A 66 -2.005 9.111 -5.882 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.480 6.341 -5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.521 6.887 -6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.497 7.491 -7.648 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.548 5.250 -7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.533 3.309 -6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.731 4.416 -5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.506 4.406 -5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.571 4.177 -8.889 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.584 5.309 -7.962 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.525 5.917 -9.257 1.00 0.00 H new ATOM 999 N ALA A 67 0.789 6.189 -5.976 1.00 0.00 N ATOM 1000 CA ALA A 67 2.130 6.047 -6.529 1.00 0.00 C ATOM 1001 C ALA A 67 2.138 5.082 -7.711 1.00 0.00 C ATOM 1002 O ALA A 67 2.325 5.490 -8.857 1.00 0.00 O ATOM 1003 CB ALA A 67 3.096 5.574 -5.454 1.00 0.00 C ATOM 0 H ALA A 67 0.596 5.586 -5.176 1.00 0.00 H new ATOM 0 HA ALA A 67 2.453 7.024 -6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.094 5.472 -5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.121 6.301 -4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.767 4.610 -5.068 1.00 0.00 H new ATOM 1009 N THR A 68 1.933 3.801 -7.424 1.00 0.00 N ATOM 1010 CA THR A 68 1.918 2.778 -8.461 1.00 0.00 C ATOM 1011 C THR A 68 0.657 1.926 -8.377 1.00 0.00 C ATOM 1012 O THR A 68 -0.069 1.972 -7.384 1.00 0.00 O ATOM 1013 CB THR A 68 3.152 1.860 -8.363 1.00 0.00 C ATOM 1014 OG1 THR A 68 3.448 1.300 -9.647 1.00 0.00 O ATOM 1015 CG2 THR A 68 2.915 0.742 -7.359 1.00 0.00 C ATOM 0 H THR A 68 1.775 3.447 -6.481 1.00 0.00 H new ATOM 0 HA THR A 68 1.937 3.299 -9.418 1.00 0.00 H new ATOM 0 HB THR A 68 3.998 2.458 -8.024 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.234 0.719 -9.577 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.799 0.107 -7.307 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.718 1.171 -6.377 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.058 0.146 -7.674 1.00 0.00 H new ATOM 1023 N SER A 69 0.402 1.150 -9.424 1.00 0.00 N ATOM 1024 CA SER A 69 -0.774 0.289 -9.469 1.00 0.00 C ATOM 1025 C SER A 69 -0.612 -0.798 -10.526 1.00 0.00 C ATOM 1026 O SER A 69 0.399 -0.853 -11.226 1.00 0.00 O ATOM 1027 CB SER A 69 -2.028 1.117 -9.760 1.00 0.00 C ATOM 1028 OG SER A 69 -2.469 1.800 -8.600 1.00 0.00 O ATOM 0 H SER A 69 0.994 1.099 -10.253 1.00 0.00 H new ATOM 0 HA SER A 69 -0.881 -0.189 -8.495 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.817 1.836 -10.551 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.821 0.465 -10.125 1.00 0.00 H new ATOM 0 HG SER A 69 -1.770 1.764 -7.914 1.00 0.00 H new ATOM 1034 N ALA A 70 -1.616 -1.662 -10.637 1.00 0.00 N ATOM 1035 CA ALA A 70 -1.587 -2.748 -11.610 1.00 0.00 C ATOM 1036 C ALA A 70 -0.565 -3.809 -11.218 1.00 0.00 C ATOM 1037 O ALA A 70 -0.021 -4.506 -12.074 1.00 0.00 O ATOM 1038 CB ALA A 70 -1.280 -2.204 -12.997 1.00 0.00 C ATOM 0 H ALA A 70 -2.460 -1.631 -10.065 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.571 -3.217 -11.624 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.261 -3.025 -13.714 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.049 -1.488 -13.285 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.309 -1.709 -12.987 1.00 0.00 H new ATOM 1044 N ILE A 71 -0.308 -3.925 -9.920 1.00 0.00 N ATOM 1045 CA ILE A 71 0.649 -4.902 -9.415 1.00 0.00 C ATOM 1046 C ILE A 71 0.040 -6.299 -9.375 1.00 0.00 C ATOM 1047 O ILE A 71 -1.113 -6.489 -8.987 1.00 0.00 O ATOM 1048 CB ILE A 71 1.144 -4.529 -8.005 1.00 0.00 C ATOM 1049 CG1 ILE A 71 1.795 -3.144 -8.019 1.00 0.00 C ATOM 1050 CG2 ILE A 71 2.124 -5.576 -7.494 1.00 0.00 C ATOM 1051 CD1 ILE A 71 2.200 -2.653 -6.646 1.00 0.00 C ATOM 0 H ILE A 71 -0.749 -3.355 -9.199 1.00 0.00 H new ATOM 0 HA ILE A 71 1.496 -4.897 -10.101 1.00 0.00 H new ATOM 0 HB ILE A 71 0.288 -4.500 -7.331 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.676 -3.172 -8.661 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.101 -2.430 -8.461 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.465 -5.299 -6.497 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.630 -6.547 -7.452 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.979 -5.633 -8.167 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.654 -1.666 -6.732 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.319 -2.593 -6.007 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.919 -3.346 -6.209 1.00 0.00 H new ATOM 1063 N PRO A 72 0.831 -7.302 -9.784 1.00 0.00 N ATOM 1064 CA PRO A 72 0.391 -8.701 -9.801 1.00 0.00 C ATOM 1065 C PRO A 72 0.224 -9.274 -8.398 1.00 0.00 C ATOM 1066 O PRO A 72 0.821 -8.798 -7.432 1.00 0.00 O ATOM 1067 CB PRO A 72 1.522 -9.419 -10.541 1.00 0.00 C ATOM 1068 CG PRO A 72 2.722 -8.563 -10.321 1.00 0.00 C ATOM 1069 CD PRO A 72 2.216 -7.148 -10.259 1.00 0.00 C ATOM 0 HA PRO A 72 -0.585 -8.815 -10.272 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.676 -10.424 -10.149 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.298 -9.521 -11.603 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.232 -8.836 -9.397 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.442 -8.685 -11.130 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.809 -6.539 -9.577 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.255 -6.664 -11.235 1.00 0.00 H new ATOM 1077 N PRO A 73 -0.607 -10.320 -8.281 1.00 0.00 N ATOM 1078 CA PRO A 73 -0.870 -10.982 -6.999 1.00 0.00 C ATOM 1079 C PRO A 73 0.338 -11.757 -6.487 1.00 0.00 C ATOM 1080 O PRO A 73 0.414 -12.101 -5.308 1.00 0.00 O ATOM 1081 CB PRO A 73 -2.022 -11.937 -7.323 1.00 0.00 C ATOM 1082 CG PRO A 73 -1.891 -12.205 -8.783 1.00 0.00 C ATOM 1083 CD PRO A 73 -1.351 -10.940 -9.389 1.00 0.00 C ATOM 0 HA PRO A 73 -1.101 -10.266 -6.210 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.949 -12.857 -6.743 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.987 -11.488 -7.088 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.219 -13.044 -8.967 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.855 -12.467 -9.220 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.704 -11.147 -10.241 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.152 -10.293 -9.747 1.00 0.00 H new ATOM 1091 N SER A 74 1.283 -12.032 -7.383 1.00 0.00 N ATOM 1092 CA SER A 74 2.486 -12.771 -7.022 1.00 0.00 C ATOM 1093 C SER A 74 3.572 -11.827 -6.514 1.00 0.00 C ATOM 1094 O SER A 74 4.566 -12.261 -5.933 1.00 0.00 O ATOM 1095 CB SER A 74 3.004 -13.561 -8.224 1.00 0.00 C ATOM 1096 OG SER A 74 2.052 -14.519 -8.653 1.00 0.00 O ATOM 0 H SER A 74 1.237 -11.754 -8.363 1.00 0.00 H new ATOM 0 HA SER A 74 2.229 -13.466 -6.222 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.231 -12.877 -9.042 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.935 -14.062 -7.960 1.00 0.00 H new ATOM 0 HG SER A 74 2.406 -15.010 -9.424 1.00 0.00 H new ATOM 1102 N ARG A 75 3.373 -10.532 -6.739 1.00 0.00 N ATOM 1103 CA ARG A 75 4.335 -9.525 -6.307 1.00 0.00 C ATOM 1104 C ARG A 75 3.868 -8.843 -5.024 1.00 0.00 C ATOM 1105 O ARG A 75 2.966 -8.004 -5.046 1.00 0.00 O ATOM 1106 CB ARG A 75 4.542 -8.480 -7.405 1.00 0.00 C ATOM 1107 CG ARG A 75 5.548 -7.402 -7.039 1.00 0.00 C ATOM 1108 CD ARG A 75 6.246 -6.849 -8.272 1.00 0.00 C ATOM 1109 NE ARG A 75 7.575 -6.331 -7.962 1.00 0.00 N ATOM 1110 CZ ARG A 75 8.412 -5.858 -8.879 1.00 0.00 C ATOM 1111 NH1 ARG A 75 8.057 -5.837 -10.156 1.00 0.00 N ATOM 1112 NH2 ARG A 75 9.605 -5.403 -8.519 1.00 0.00 N ATOM 0 H ARG A 75 2.555 -10.156 -7.218 1.00 0.00 H new ATOM 0 HA ARG A 75 5.282 -10.026 -6.109 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.874 -8.982 -8.314 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.585 -8.010 -7.632 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.041 -6.593 -6.513 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.289 -7.812 -6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.329 -7.634 -9.024 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.639 -6.054 -8.706 1.00 0.00 H new ATOM 0 HE ARG A 75 7.878 -6.332 -6.988 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.140 -6.184 -10.436 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.701 -5.473 -10.858 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.881 -5.416 -7.537 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.247 -5.040 -9.224 1.00 0.00 H new ATOM 1126 N LEU A 76 4.488 -9.208 -3.907 1.00 0.00 N ATOM 1127 CA LEU A 76 4.136 -8.632 -2.613 1.00 0.00 C ATOM 1128 C LEU A 76 5.131 -7.548 -2.211 1.00 0.00 C ATOM 1129 O LEU A 76 5.145 -7.100 -1.065 1.00 0.00 O ATOM 1130 CB LEU A 76 4.092 -9.723 -1.542 1.00 0.00 C ATOM 1131 CG LEU A 76 3.245 -10.954 -1.872 1.00 0.00 C ATOM 1132 CD1 LEU A 76 3.237 -11.924 -0.701 1.00 0.00 C ATOM 1133 CD2 LEU A 76 1.827 -10.543 -2.238 1.00 0.00 C ATOM 0 H LEU A 76 5.237 -9.900 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 76 3.149 -8.178 -2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.112 -10.051 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.714 -9.283 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 76 3.688 -11.458 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.630 -12.794 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.257 -12.243 -0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.818 -11.431 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.239 -11.431 -2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.373 -10.016 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.851 -9.887 -3.108 1.00 0.00 H new ATOM 1145 N SER A 77 5.959 -7.130 -3.163 1.00 0.00 N ATOM 1146 CA SER A 77 6.958 -6.100 -2.907 1.00 0.00 C ATOM 1147 C SER A 77 7.333 -5.374 -4.196 1.00 0.00 C ATOM 1148 O SER A 77 7.605 -6.003 -5.219 1.00 0.00 O ATOM 1149 CB SER A 77 8.208 -6.717 -2.275 1.00 0.00 C ATOM 1150 OG SER A 77 9.360 -5.942 -2.562 1.00 0.00 O ATOM 0 H SER A 77 5.958 -7.489 -4.118 1.00 0.00 H new ATOM 0 HA SER A 77 6.528 -5.377 -2.214 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.075 -6.791 -1.196 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.346 -7.731 -2.649 1.00 0.00 H new ATOM 0 HG SER A 77 9.737 -5.595 -1.727 1.00 0.00 H new ATOM 1156 N VAL A 78 7.343 -4.046 -4.138 1.00 0.00 N ATOM 1157 CA VAL A 78 7.685 -3.233 -5.300 1.00 0.00 C ATOM 1158 C VAL A 78 8.390 -1.947 -4.882 1.00 0.00 C ATOM 1159 O VAL A 78 8.368 -1.568 -3.711 1.00 0.00 O ATOM 1160 CB VAL A 78 6.433 -2.875 -6.122 1.00 0.00 C ATOM 1161 CG1 VAL A 78 5.497 -4.072 -6.216 1.00 0.00 C ATOM 1162 CG2 VAL A 78 5.720 -1.677 -5.514 1.00 0.00 C ATOM 0 H VAL A 78 7.118 -3.510 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 78 8.358 -3.829 -5.917 1.00 0.00 H new ATOM 0 HB VAL A 78 6.746 -2.608 -7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.618 -3.801 -6.800 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.014 -4.901 -6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.189 -4.372 -5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.838 -1.439 -6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.417 -1.913 -4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.393 -0.820 -5.504 1.00 0.00 H new ATOM 1172 N GLU A 79 9.013 -1.280 -5.848 1.00 0.00 N ATOM 1173 CA GLU A 79 9.724 -0.035 -5.580 1.00 0.00 C ATOM 1174 C GLU A 79 8.880 1.171 -5.981 1.00 0.00 C ATOM 1175 O GLU A 79 8.532 1.337 -7.150 1.00 0.00 O ATOM 1176 CB GLU A 79 11.057 -0.013 -6.332 1.00 0.00 C ATOM 1177 CG GLU A 79 11.943 1.166 -5.963 1.00 0.00 C ATOM 1178 CD GLU A 79 13.031 1.421 -6.988 1.00 0.00 C ATOM 1179 OE1 GLU A 79 12.696 1.810 -8.126 1.00 0.00 O ATOM 1180 OE2 GLU A 79 14.219 1.231 -6.651 1.00 0.00 O ATOM 0 H GLU A 79 9.040 -1.580 -6.822 1.00 0.00 H new ATOM 0 HA GLU A 79 9.918 0.021 -4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.595 -0.939 -6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.860 0.012 -7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.328 2.060 -5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.401 0.982 -4.991 1.00 0.00 H new ATOM 1187 N ILE A 80 8.555 2.009 -5.003 1.00 0.00 N ATOM 1188 CA ILE A 80 7.752 3.200 -5.253 1.00 0.00 C ATOM 1189 C ILE A 80 8.630 4.377 -5.666 1.00 0.00 C ATOM 1190 O ILE A 80 9.214 5.057 -4.821 1.00 0.00 O ATOM 1191 CB ILE A 80 6.931 3.597 -4.012 1.00 0.00 C ATOM 1192 CG1 ILE A 80 6.074 2.419 -3.543 1.00 0.00 C ATOM 1193 CG2 ILE A 80 6.059 4.805 -4.318 1.00 0.00 C ATOM 1194 CD1 ILE A 80 4.990 2.032 -4.525 1.00 0.00 C ATOM 0 H ILE A 80 8.835 1.886 -4.030 1.00 0.00 H new ATOM 0 HA ILE A 80 7.069 2.955 -6.066 1.00 0.00 H new ATOM 0 HB ILE A 80 7.619 3.864 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.719 1.558 -3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.614 2.672 -2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.485 5.073 -3.431 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.690 5.645 -4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.376 4.564 -5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.422 1.191 -4.127 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.322 2.879 -4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.444 1.747 -5.474 1.00 0.00 H new ATOM 1206 N THR A 81 8.717 4.614 -6.971 1.00 0.00 N ATOM 1207 CA THR A 81 9.523 5.710 -7.496 1.00 0.00 C ATOM 1208 C THR A 81 8.682 6.966 -7.690 1.00 0.00 C ATOM 1209 O THR A 81 7.464 6.943 -7.517 1.00 0.00 O ATOM 1210 CB THR A 81 10.177 5.332 -8.838 1.00 0.00 C ATOM 1211 OG1 THR A 81 9.178 5.226 -9.859 1.00 0.00 O ATOM 1212 CG2 THR A 81 10.930 4.015 -8.721 1.00 0.00 C ATOM 0 H THR A 81 8.240 4.062 -7.684 1.00 0.00 H new ATOM 0 HA THR A 81 10.304 5.909 -6.762 1.00 0.00 H new ATOM 0 HB THR A 81 10.886 6.116 -9.104 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.603 4.987 -10.709 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.383 3.769 -9.681 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.709 4.107 -7.965 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.237 3.224 -8.433 1.00 0.00 H new ATOM 1220 N GLY A 82 9.340 8.064 -8.051 1.00 0.00 N ATOM 1221 CA GLY A 82 8.636 9.315 -8.263 1.00 0.00 C ATOM 1222 C GLY A 82 8.311 10.026 -6.963 1.00 0.00 C ATOM 1223 O GLY A 82 7.227 10.587 -6.808 1.00 0.00 O ATOM 0 H GLY A 82 10.348 8.109 -8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.244 9.969 -8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.712 9.121 -8.808 1.00 0.00 H new ATOM 1227 N LEU A 83 9.252 9.999 -6.026 1.00 0.00 N ATOM 1228 CA LEU A 83 9.060 10.643 -4.732 1.00 0.00 C ATOM 1229 C LEU A 83 9.771 11.992 -4.684 1.00 0.00 C ATOM 1230 O LEU A 83 10.393 12.410 -5.660 1.00 0.00 O ATOM 1231 CB LEU A 83 9.577 9.741 -3.609 1.00 0.00 C ATOM 1232 CG LEU A 83 8.997 8.328 -3.562 1.00 0.00 C ATOM 1233 CD1 LEU A 83 9.581 7.550 -2.394 1.00 0.00 C ATOM 1234 CD2 LEU A 83 7.478 8.377 -3.467 1.00 0.00 C ATOM 0 H LEU A 83 10.155 9.538 -6.138 1.00 0.00 H new ATOM 0 HA LEU A 83 7.992 10.811 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.660 9.664 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.372 10.228 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 83 9.267 7.815 -4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.156 6.546 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.663 7.484 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.343 8.061 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.083 7.362 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.187 8.909 -2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.076 8.896 -4.337 1.00 0.00 H new ATOM 1246 N GLU A 84 9.678 12.666 -3.542 1.00 0.00 N ATOM 1247 CA GLU A 84 10.313 13.965 -3.368 1.00 0.00 C ATOM 1248 C GLU A 84 11.227 13.966 -2.145 1.00 0.00 C ATOM 1249 O GLU A 84 10.827 13.550 -1.058 1.00 0.00 O ATOM 1250 CB GLU A 84 9.254 15.061 -3.228 1.00 0.00 C ATOM 1251 CG GLU A 84 8.526 15.375 -4.524 1.00 0.00 C ATOM 1252 CD GLU A 84 7.288 16.222 -4.307 1.00 0.00 C ATOM 1253 OE1 GLU A 84 7.345 17.156 -3.480 1.00 0.00 O ATOM 1254 OE2 GLU A 84 6.262 15.953 -4.967 1.00 0.00 O ATOM 0 H GLU A 84 9.168 12.333 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 84 10.918 14.165 -4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.525 14.756 -2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.730 15.970 -2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.204 15.896 -5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.243 14.443 -5.012 1.00 0.00 H new ATOM 1261 N LYS A 85 12.455 14.435 -2.333 1.00 0.00 N ATOM 1262 CA LYS A 85 13.427 14.491 -1.246 1.00 0.00 C ATOM 1263 C LYS A 85 13.064 15.586 -0.248 1.00 0.00 C ATOM 1264 O LYS A 85 12.444 16.586 -0.606 1.00 0.00 O ATOM 1265 CB LYS A 85 14.831 14.738 -1.803 1.00 0.00 C ATOM 1266 CG LYS A 85 15.593 13.462 -2.120 1.00 0.00 C ATOM 1267 CD LYS A 85 16.544 13.656 -3.289 1.00 0.00 C ATOM 1268 CE LYS A 85 15.848 13.413 -4.619 1.00 0.00 C ATOM 1269 NZ LYS A 85 15.175 14.641 -5.125 1.00 0.00 N ATOM 0 H LYS A 85 12.802 14.782 -3.227 1.00 0.00 H new ATOM 0 HA LYS A 85 13.412 13.532 -0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.753 15.339 -2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.402 15.322 -1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.155 13.145 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.888 12.664 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.947 14.669 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.389 12.975 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.577 13.070 -5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.112 12.617 -4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.102 14.595 -6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.222 14.709 -4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.730 15.478 -4.854 1.00 0.00 H new ATOM 1283 N GLY A 86 13.458 15.390 1.007 1.00 0.00 N ATOM 1284 CA GLY A 86 13.167 16.371 2.037 1.00 0.00 C ATOM 1285 C GLY A 86 11.692 16.429 2.381 1.00 0.00 C ATOM 1286 O GLY A 86 11.248 17.335 3.087 1.00 0.00 O ATOM 0 H GLY A 86 13.973 14.570 1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.737 16.131 2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.498 17.354 1.702 1.00 0.00 H new ATOM 1290 N ILE A 87 10.929 15.463 1.879 1.00 0.00 N ATOM 1291 CA ILE A 87 9.496 15.410 2.137 1.00 0.00 C ATOM 1292 C ILE A 87 9.105 14.091 2.796 1.00 0.00 C ATOM 1293 O ILE A 87 9.186 13.029 2.179 1.00 0.00 O ATOM 1294 CB ILE A 87 8.684 15.584 0.840 1.00 0.00 C ATOM 1295 CG1 ILE A 87 8.944 16.964 0.232 1.00 0.00 C ATOM 1296 CG2 ILE A 87 7.200 15.391 1.115 1.00 0.00 C ATOM 1297 CD1 ILE A 87 8.336 18.098 1.026 1.00 0.00 C ATOM 0 H ILE A 87 11.280 14.707 1.291 1.00 0.00 H new ATOM 0 HA ILE A 87 9.266 16.233 2.813 1.00 0.00 H new ATOM 0 HB ILE A 87 9.002 14.826 0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 87 10.020 17.121 0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.545 16.986 -0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.639 15.517 0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.030 14.389 1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.866 16.129 1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.560 19.046 0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.256 17.965 1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.753 18.102 2.033 1.00 0.00 H new ATOM 1309 N SER A 88 8.678 14.167 4.052 1.00 0.00 N ATOM 1310 CA SER A 88 8.275 12.978 4.796 1.00 0.00 C ATOM 1311 C SER A 88 6.876 12.530 4.386 1.00 0.00 C ATOM 1312 O SER A 88 5.978 13.352 4.200 1.00 0.00 O ATOM 1313 CB SER A 88 8.315 13.256 6.300 1.00 0.00 C ATOM 1314 OG SER A 88 9.278 14.247 6.612 1.00 0.00 O ATOM 0 H SER A 88 8.602 15.039 4.576 1.00 0.00 H new ATOM 0 HA SER A 88 8.976 12.177 4.563 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.331 13.582 6.639 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.549 12.336 6.836 1.00 0.00 H new ATOM 0 HG SER A 88 9.282 14.407 7.579 1.00 0.00 H new ATOM 1320 N TYR A 89 6.698 11.221 4.249 1.00 0.00 N ATOM 1321 CA TYR A 89 5.410 10.661 3.859 1.00 0.00 C ATOM 1322 C TYR A 89 5.333 9.178 4.205 1.00 0.00 C ATOM 1323 O TYR A 89 6.354 8.523 4.415 1.00 0.00 O ATOM 1324 CB TYR A 89 5.176 10.860 2.361 1.00 0.00 C ATOM 1325 CG TYR A 89 6.451 10.915 1.551 1.00 0.00 C ATOM 1326 CD1 TYR A 89 7.378 9.880 1.606 1.00 0.00 C ATOM 1327 CD2 TYR A 89 6.731 12.001 0.731 1.00 0.00 C ATOM 1328 CE1 TYR A 89 8.544 9.927 0.869 1.00 0.00 C ATOM 1329 CE2 TYR A 89 7.895 12.055 -0.011 1.00 0.00 C ATOM 1330 CZ TYR A 89 8.798 11.016 0.061 1.00 0.00 C ATOM 1331 OH TYR A 89 9.960 11.067 -0.675 1.00 0.00 O ATOM 0 H TYR A 89 7.430 10.527 4.402 1.00 0.00 H new ATOM 0 HA TYR A 89 4.632 11.185 4.414 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.553 10.047 1.988 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.618 11.784 2.209 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.182 9.025 2.236 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.026 12.817 0.673 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.254 9.115 0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.096 12.907 -0.644 1.00 0.00 H new ATOM 0 HH TYR A 89 10.338 11.970 -0.627 1.00 0.00 H new ATOM 1341 N LYS A 90 4.114 8.652 4.262 1.00 0.00 N ATOM 1342 CA LYS A 90 3.900 7.245 4.580 1.00 0.00 C ATOM 1343 C LYS A 90 3.468 6.467 3.341 1.00 0.00 C ATOM 1344 O LYS A 90 3.289 7.041 2.267 1.00 0.00 O ATOM 1345 CB LYS A 90 2.844 7.104 5.679 1.00 0.00 C ATOM 1346 CG LYS A 90 3.019 8.090 6.821 1.00 0.00 C ATOM 1347 CD LYS A 90 2.168 7.711 8.020 1.00 0.00 C ATOM 1348 CE LYS A 90 2.789 8.197 9.322 1.00 0.00 C ATOM 1349 NZ LYS A 90 1.766 8.403 10.382 1.00 0.00 N ATOM 0 H LYS A 90 3.258 9.180 4.092 1.00 0.00 H new ATOM 0 HA LYS A 90 4.843 6.831 4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.855 7.240 5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.879 6.090 6.077 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.068 8.125 7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.749 9.091 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.171 8.138 7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.049 6.628 8.055 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.526 7.471 9.665 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.320 9.132 9.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.230 8.734 11.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.076 9.114 10.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.276 7.505 10.571 1.00 0.00 H new ATOM 1363 N PHE A 91 3.299 5.158 3.500 1.00 0.00 N ATOM 1364 CA PHE A 91 2.887 4.302 2.394 1.00 0.00 C ATOM 1365 C PHE A 91 1.796 3.330 2.836 1.00 0.00 C ATOM 1366 O PHE A 91 1.642 3.054 4.026 1.00 0.00 O ATOM 1367 CB PHE A 91 4.087 3.526 1.848 1.00 0.00 C ATOM 1368 CG PHE A 91 5.182 4.408 1.320 1.00 0.00 C ATOM 1369 CD1 PHE A 91 6.087 5.002 2.183 1.00 0.00 C ATOM 1370 CD2 PHE A 91 5.306 4.643 -0.040 1.00 0.00 C ATOM 1371 CE1 PHE A 91 7.095 5.815 1.700 1.00 0.00 C ATOM 1372 CE2 PHE A 91 6.312 5.455 -0.529 1.00 0.00 C ATOM 1373 CZ PHE A 91 7.209 6.041 0.342 1.00 0.00 C ATOM 0 H PHE A 91 3.441 4.668 4.383 1.00 0.00 H new ATOM 0 HA PHE A 91 2.485 4.938 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.491 2.893 2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 91 3.749 2.864 1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.004 4.828 3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.608 4.186 -0.726 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.793 6.274 2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.396 5.631 -1.591 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.997 6.674 -0.037 1.00 0.00 H new ATOM 1383 N ARG A 92 1.044 2.815 1.869 1.00 0.00 N ATOM 1384 CA ARG A 92 -0.033 1.876 2.158 1.00 0.00 C ATOM 1385 C ARG A 92 -0.257 0.927 0.985 1.00 0.00 C ATOM 1386 O ARG A 92 0.402 1.037 -0.050 1.00 0.00 O ATOM 1387 CB ARG A 92 -1.326 2.630 2.471 1.00 0.00 C ATOM 1388 CG ARG A 92 -1.868 3.426 1.295 1.00 0.00 C ATOM 1389 CD ARG A 92 -3.381 3.558 1.360 1.00 0.00 C ATOM 1390 NE ARG A 92 -3.796 4.749 2.098 1.00 0.00 N ATOM 1391 CZ ARG A 92 -4.966 5.352 1.921 1.00 0.00 C ATOM 1392 NH1 ARG A 92 -5.833 4.878 1.037 1.00 0.00 N ATOM 1393 NH2 ARG A 92 -5.271 6.431 2.629 1.00 0.00 N ATOM 0 H ARG A 92 1.161 3.032 0.879 1.00 0.00 H new ATOM 0 HA ARG A 92 0.257 1.288 3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.083 1.916 2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.148 3.308 3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.416 4.418 1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.584 2.938 0.363 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.785 3.599 0.348 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.802 2.672 1.835 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.152 5.138 2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.602 4.048 0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.731 5.343 0.903 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.607 6.799 3.310 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.170 6.893 2.492 1.00 0.00 H new ATOM 1407 N VAL A 93 -1.190 -0.005 1.153 1.00 0.00 N ATOM 1408 CA VAL A 93 -1.501 -0.972 0.107 1.00 0.00 C ATOM 1409 C VAL A 93 -2.992 -1.286 0.074 1.00 0.00 C ATOM 1410 O VAL A 93 -3.641 -1.377 1.116 1.00 0.00 O ATOM 1411 CB VAL A 93 -0.716 -2.282 0.304 1.00 0.00 C ATOM 1412 CG1 VAL A 93 -1.112 -3.306 -0.750 1.00 0.00 C ATOM 1413 CG2 VAL A 93 0.781 -2.018 0.266 1.00 0.00 C ATOM 0 H VAL A 93 -1.743 -0.111 2.003 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.208 -0.519 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.965 -2.689 1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.547 -4.225 -0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.178 -3.518 -0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.895 -2.910 -1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.319 -2.955 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.050 -1.586 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.048 -1.323 1.062 1.00 0.00 H new ATOM 1423 N ARG A 94 -3.531 -1.448 -1.130 1.00 0.00 N ATOM 1424 CA ARG A 94 -4.947 -1.750 -1.299 1.00 0.00 C ATOM 1425 C ARG A 94 -5.143 -2.915 -2.265 1.00 0.00 C ATOM 1426 O ARG A 94 -4.411 -3.050 -3.246 1.00 0.00 O ATOM 1427 CB ARG A 94 -5.696 -0.518 -1.810 1.00 0.00 C ATOM 1428 CG ARG A 94 -6.067 0.468 -0.715 1.00 0.00 C ATOM 1429 CD ARG A 94 -7.353 1.208 -1.044 1.00 0.00 C ATOM 1430 NE ARG A 94 -7.786 2.068 0.055 1.00 0.00 N ATOM 1431 CZ ARG A 94 -8.574 3.125 -0.106 1.00 0.00 C ATOM 1432 NH1 ARG A 94 -9.014 3.451 -1.313 1.00 0.00 N ATOM 1433 NH2 ARG A 94 -8.924 3.859 0.943 1.00 0.00 N ATOM 0 H ARG A 94 -3.008 -1.375 -2.003 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.350 -2.034 -0.327 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.079 -0.010 -2.551 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.604 -0.841 -2.319 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.183 -0.063 0.230 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.257 1.185 -0.580 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.205 1.811 -1.940 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.138 0.487 -1.271 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.466 1.844 0.997 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.748 2.889 -2.122 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.619 4.263 -1.433 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.588 3.612 1.874 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.529 4.671 0.818 1.00 0.00 H new ATOM 1447 N ALA A 95 -6.134 -3.753 -1.981 1.00 0.00 N ATOM 1448 CA ALA A 95 -6.427 -4.905 -2.824 1.00 0.00 C ATOM 1449 C ALA A 95 -7.689 -4.676 -3.647 1.00 0.00 C ATOM 1450 O ALA A 95 -8.723 -4.266 -3.118 1.00 0.00 O ATOM 1451 CB ALA A 95 -6.569 -6.159 -1.975 1.00 0.00 C ATOM 0 H ALA A 95 -6.748 -3.655 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.594 -5.040 -3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.788 -7.011 -2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.639 -6.341 -1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.382 -6.025 -1.261 1.00 0.00 H new ATOM 1457 N LEU A 96 -7.600 -4.942 -4.946 1.00 0.00 N ATOM 1458 CA LEU A 96 -8.736 -4.764 -5.844 1.00 0.00 C ATOM 1459 C LEU A 96 -9.045 -6.056 -6.594 1.00 0.00 C ATOM 1460 O LEU A 96 -8.200 -6.582 -7.316 1.00 0.00 O ATOM 1461 CB LEU A 96 -8.452 -3.638 -6.839 1.00 0.00 C ATOM 1462 CG LEU A 96 -8.664 -2.215 -6.321 1.00 0.00 C ATOM 1463 CD1 LEU A 96 -7.568 -1.837 -5.336 1.00 0.00 C ATOM 1464 CD2 LEU A 96 -8.709 -1.227 -7.477 1.00 0.00 C ATOM 0 H LEU A 96 -6.753 -5.282 -5.401 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.606 -4.498 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.420 -3.730 -7.176 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.087 -3.784 -7.713 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.621 -2.177 -5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.735 -0.821 -4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.584 -2.527 -4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.599 -1.892 -5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.861 -0.220 -7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.768 -1.267 -8.026 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.530 -1.486 -8.145 1.00 0.00 H new ATOM 1476 N ASN A 97 -10.262 -6.559 -6.419 1.00 0.00 N ATOM 1477 CA ASN A 97 -10.683 -7.787 -7.082 1.00 0.00 C ATOM 1478 C ASN A 97 -11.943 -7.555 -7.910 1.00 0.00 C ATOM 1479 O ASN A 97 -12.396 -6.422 -8.066 1.00 0.00 O ATOM 1480 CB ASN A 97 -10.935 -8.888 -6.049 1.00 0.00 C ATOM 1481 CG ASN A 97 -12.218 -8.667 -5.270 1.00 0.00 C ATOM 1482 OD1 ASN A 97 -12.807 -7.587 -5.315 1.00 0.00 O ATOM 1483 ND2 ASN A 97 -12.656 -9.692 -4.549 1.00 0.00 N ATOM 0 H ASN A 97 -10.974 -6.135 -5.824 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.882 -8.101 -7.752 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.981 -9.853 -6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.095 -8.931 -5.356 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.513 -9.602 -4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.136 -10.569 -4.541 1.00 0.00 H new ATOM 1490 N MET A 98 -12.504 -8.638 -8.440 1.00 0.00 N ATOM 1491 CA MET A 98 -13.713 -8.550 -9.252 1.00 0.00 C ATOM 1492 C MET A 98 -14.915 -8.160 -8.396 1.00 0.00 C ATOM 1493 O MET A 98 -16.035 -8.046 -8.898 1.00 0.00 O ATOM 1494 CB MET A 98 -13.982 -9.886 -9.949 1.00 0.00 C ATOM 1495 CG MET A 98 -14.068 -11.065 -8.993 1.00 0.00 C ATOM 1496 SD MET A 98 -14.331 -12.632 -9.844 1.00 0.00 S ATOM 1497 CE MET A 98 -16.105 -12.593 -10.086 1.00 0.00 C ATOM 0 H MET A 98 -12.142 -9.584 -8.322 1.00 0.00 H new ATOM 0 HA MET A 98 -13.560 -7.778 -10.006 1.00 0.00 H new ATOM 0 HB2 MET A 98 -14.915 -9.813 -10.508 1.00 0.00 H new ATOM 0 HB3 MET A 98 -13.190 -10.074 -10.674 1.00 0.00 H new ATOM 0 HG2 MET A 98 -13.149 -11.123 -8.410 1.00 0.00 H new ATOM 0 HG3 MET A 98 -14.883 -10.898 -8.288 1.00 0.00 H new ATOM 0 HE1 MET A 98 -16.475 -13.608 -10.229 1.00 0.00 H new ATOM 0 HE2 MET A 98 -16.582 -12.153 -9.210 1.00 0.00 H new ATOM 0 HE3 MET A 98 -16.339 -11.994 -10.966 1.00 0.00 H new ATOM 1507 N LEU A 99 -14.677 -7.956 -7.106 1.00 0.00 N ATOM 1508 CA LEU A 99 -15.739 -7.578 -6.182 1.00 0.00 C ATOM 1509 C LEU A 99 -15.592 -6.123 -5.749 1.00 0.00 C ATOM 1510 O LEU A 99 -16.570 -5.470 -5.388 1.00 0.00 O ATOM 1511 CB LEU A 99 -15.725 -8.492 -4.955 1.00 0.00 C ATOM 1512 CG LEU A 99 -15.786 -9.994 -5.236 1.00 0.00 C ATOM 1513 CD1 LEU A 99 -15.892 -10.776 -3.936 1.00 0.00 C ATOM 1514 CD2 LEU A 99 -16.955 -10.318 -6.154 1.00 0.00 C ATOM 0 H LEU A 99 -13.757 -8.046 -6.676 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.692 -7.689 -6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.820 -8.286 -4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -16.570 -8.227 -4.320 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.865 -10.288 -5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -15.934 -11.843 -4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -15.021 -10.568 -3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -16.796 -10.479 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -16.983 -11.391 -6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -17.887 -10.009 -5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.835 -9.786 -7.098 1.00 0.00 H new ATOM 1526 N GLY A 100 -14.361 -5.621 -5.788 1.00 0.00 N ATOM 1527 CA GLY A 100 -14.109 -4.246 -5.399 1.00 0.00 C ATOM 1528 C GLY A 100 -12.737 -4.060 -4.781 1.00 0.00 C ATOM 1529 O GLY A 100 -11.884 -4.942 -4.874 1.00 0.00 O ATOM 0 H GLY A 100 -13.535 -6.142 -6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.200 -3.602 -6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.871 -3.928 -4.687 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.524 -2.910 -4.149 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.246 -2.612 -3.516 1.00 0.00 C ATOM 1535 C GLU A 101 -11.316 -2.850 -2.010 1.00 0.00 C ATOM 1536 O GLU A 101 -12.397 -2.858 -1.422 1.00 0.00 O ATOM 1537 CB GLU A 101 -10.836 -1.166 -3.797 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.689 -0.139 -3.068 1.00 0.00 C ATOM 1539 CD GLU A 101 -12.925 0.255 -3.854 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -12.771 0.774 -4.979 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -14.044 0.046 -3.343 1.00 0.00 O ATOM 0 H GLU A 101 -13.221 -2.170 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.497 -3.282 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.793 -1.030 -3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.897 -0.982 -4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.991 -0.543 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.090 0.750 -2.869 1.00 0.00 H new ATOM 1548 N SER A 102 -10.154 -3.042 -1.392 1.00 0.00 N ATOM 1549 CA SER A 102 -10.084 -3.284 0.044 1.00 0.00 C ATOM 1550 C SER A 102 -9.813 -1.986 0.801 1.00 0.00 C ATOM 1551 O SER A 102 -9.598 -0.937 0.195 1.00 0.00 O ATOM 1552 CB SER A 102 -8.990 -4.306 0.357 1.00 0.00 C ATOM 1553 OG SER A 102 -7.737 -3.673 0.545 1.00 0.00 O ATOM 0 H SER A 102 -9.249 -3.035 -1.863 1.00 0.00 H new ATOM 0 HA SER A 102 -11.046 -3.680 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.256 -4.865 1.254 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.918 -5.027 -0.458 1.00 0.00 H new ATOM 0 HG SER A 102 -7.024 -4.345 0.522 1.00 0.00 H new ATOM 1559 N GLU A 103 -9.826 -2.068 2.127 1.00 0.00 N ATOM 1560 CA GLU A 103 -9.584 -0.902 2.966 1.00 0.00 C ATOM 1561 C GLU A 103 -8.120 -0.474 2.895 1.00 0.00 C ATOM 1562 O GLU A 103 -7.235 -1.258 2.550 1.00 0.00 O ATOM 1563 CB GLU A 103 -9.969 -1.199 4.417 1.00 0.00 C ATOM 1564 CG GLU A 103 -11.413 -0.859 4.745 1.00 0.00 C ATOM 1565 CD GLU A 103 -11.911 -1.567 5.990 1.00 0.00 C ATOM 1566 OE1 GLU A 103 -11.514 -1.163 7.102 1.00 0.00 O ATOM 1567 OE2 GLU A 103 -12.698 -2.526 5.850 1.00 0.00 O ATOM 0 H GLU A 103 -10.002 -2.930 2.643 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.203 -0.085 2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.798 -2.256 4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.312 -0.637 5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.506 0.218 4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.047 -1.129 3.900 1.00 0.00 H new ATOM 1574 N PRO A 104 -7.859 0.799 3.227 1.00 0.00 N ATOM 1575 CA PRO A 104 -6.505 1.359 3.209 1.00 0.00 C ATOM 1576 C PRO A 104 -5.625 0.787 4.316 1.00 0.00 C ATOM 1577 O PRO A 104 -5.767 1.147 5.484 1.00 0.00 O ATOM 1578 CB PRO A 104 -6.737 2.856 3.432 1.00 0.00 C ATOM 1579 CG PRO A 104 -8.035 2.933 4.159 1.00 0.00 C ATOM 1580 CD PRO A 104 -8.865 1.788 3.648 1.00 0.00 C ATOM 0 HA PRO A 104 -5.982 1.127 2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -5.930 3.299 4.015 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.780 3.395 2.486 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.884 2.856 5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.530 3.887 3.974 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.520 1.390 4.422 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.502 2.092 2.817 1.00 0.00 H new ATOM 1588 N SER A 105 -4.715 -0.107 3.938 1.00 0.00 N ATOM 1589 CA SER A 105 -3.815 -0.732 4.900 1.00 0.00 C ATOM 1590 C SER A 105 -3.251 0.303 5.870 1.00 0.00 C ATOM 1591 O SER A 105 -3.122 1.479 5.533 1.00 0.00 O ATOM 1592 CB SER A 105 -2.671 -1.441 4.172 1.00 0.00 C ATOM 1593 OG SER A 105 -1.671 -0.518 3.773 1.00 0.00 O ATOM 0 H SER A 105 -4.582 -0.414 2.974 1.00 0.00 H new ATOM 0 HA SER A 105 -4.385 -1.466 5.470 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.233 -2.197 4.824 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.060 -1.962 3.297 1.00 0.00 H new ATOM 0 HG SER A 105 -0.927 -0.546 4.410 1.00 0.00 H new ATOM 1599 N ALA A 106 -2.920 -0.145 7.076 1.00 0.00 N ATOM 1600 CA ALA A 106 -2.370 0.740 8.095 1.00 0.00 C ATOM 1601 C ALA A 106 -1.260 1.614 7.522 1.00 0.00 C ATOM 1602 O ALA A 106 -0.427 1.164 6.732 1.00 0.00 O ATOM 1603 CB ALA A 106 -1.851 -0.071 9.274 1.00 0.00 C ATOM 0 H ALA A 106 -3.023 -1.116 7.371 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.169 1.395 8.442 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.443 0.603 10.028 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.668 -0.647 9.707 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.069 -0.750 8.933 1.00 0.00 H new ATOM 1609 N PRO A 107 -1.243 2.893 7.926 1.00 0.00 N ATOM 1610 CA PRO A 107 -0.240 3.855 7.464 1.00 0.00 C ATOM 1611 C PRO A 107 1.149 3.559 8.022 1.00 0.00 C ATOM 1612 O PRO A 107 1.471 3.945 9.145 1.00 0.00 O ATOM 1613 CB PRO A 107 -0.757 5.192 8.001 1.00 0.00 C ATOM 1614 CG PRO A 107 -1.586 4.830 9.185 1.00 0.00 C ATOM 1615 CD PRO A 107 -2.203 3.496 8.866 1.00 0.00 C ATOM 0 HA PRO A 107 -0.122 3.831 6.381 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.065 5.851 8.280 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.347 5.718 7.251 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.975 4.772 10.086 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -2.354 5.581 9.368 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.327 2.886 9.761 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.190 3.607 8.417 1.00 0.00 H new ATOM 1623 N SER A 108 1.966 2.874 7.229 1.00 0.00 N ATOM 1624 CA SER A 108 3.319 2.522 7.645 1.00 0.00 C ATOM 1625 C SER A 108 4.042 3.738 8.219 1.00 0.00 C ATOM 1626 O SER A 108 3.664 4.879 7.958 1.00 0.00 O ATOM 1627 CB SER A 108 4.107 1.955 6.464 1.00 0.00 C ATOM 1628 OG SER A 108 5.503 2.074 6.678 1.00 0.00 O ATOM 0 H SER A 108 1.715 2.551 6.294 1.00 0.00 H new ATOM 0 HA SER A 108 3.249 1.761 8.423 1.00 0.00 H new ATOM 0 HB2 SER A 108 3.846 0.907 6.319 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.830 2.482 5.551 1.00 0.00 H new ATOM 0 HG SER A 108 5.942 1.227 6.452 1.00 0.00 H new ATOM 1634 N ARG A 109 5.086 3.481 9.000 1.00 0.00 N ATOM 1635 CA ARG A 109 5.864 4.552 9.612 1.00 0.00 C ATOM 1636 C ARG A 109 6.308 5.568 8.564 1.00 0.00 C ATOM 1637 O ARG A 109 6.470 5.252 7.385 1.00 0.00 O ATOM 1638 CB ARG A 109 7.086 3.979 10.330 1.00 0.00 C ATOM 1639 CG ARG A 109 7.955 3.098 9.445 1.00 0.00 C ATOM 1640 CD ARG A 109 8.998 3.916 8.700 1.00 0.00 C ATOM 1641 NE ARG A 109 9.967 4.525 9.607 1.00 0.00 N ATOM 1642 CZ ARG A 109 11.137 5.016 9.211 1.00 0.00 C ATOM 1643 NH1 ARG A 109 11.480 4.970 7.931 1.00 0.00 N ATOM 1644 NH2 ARG A 109 11.966 5.554 10.096 1.00 0.00 N ATOM 0 H ARG A 109 5.413 2.541 9.224 1.00 0.00 H new ATOM 0 HA ARG A 109 5.228 5.058 10.339 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.690 4.801 10.715 1.00 0.00 H new ATOM 0 HB3 ARG A 109 6.753 3.399 11.190 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.451 2.343 10.055 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.327 2.567 8.729 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.520 3.276 7.989 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.502 4.696 8.123 1.00 0.00 H new ATOM 0 HE ARG A 109 9.733 4.576 10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.845 4.557 7.247 1.00 0.00 H new ATOM 0 HH12 ARG A 109 12.378 5.348 7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 109 11.706 5.591 11.082 1.00 0.00 H new ATOM 0 HH22 ARG A 109 12.864 5.930 9.791 1.00 0.00 H new ATOM 1658 N PRO A 110 6.507 6.822 9.001 1.00 0.00 N ATOM 1659 CA PRO A 110 6.934 7.910 8.117 1.00 0.00 C ATOM 1660 C PRO A 110 8.373 7.741 7.642 1.00 0.00 C ATOM 1661 O PRO A 110 9.273 7.480 8.442 1.00 0.00 O ATOM 1662 CB PRO A 110 6.803 9.154 8.997 1.00 0.00 C ATOM 1663 CG PRO A 110 6.936 8.647 10.391 1.00 0.00 C ATOM 1664 CD PRO A 110 6.331 7.271 10.392 1.00 0.00 C ATOM 0 HA PRO A 110 6.338 7.952 7.205 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.577 9.886 8.766 1.00 0.00 H new ATOM 0 HB3 PRO A 110 5.843 9.647 8.845 1.00 0.00 H new ATOM 0 HG2 PRO A 110 7.982 8.613 10.696 1.00 0.00 H new ATOM 0 HG3 PRO A 110 6.420 9.300 11.095 1.00 0.00 H new ATOM 0 HD2 PRO A 110 6.837 6.610 11.095 1.00 0.00 H new ATOM 0 HD3 PRO A 110 5.279 7.294 10.677 1.00 0.00 H new ATOM 1672 N TYR A 111 8.584 7.892 6.341 1.00 0.00 N ATOM 1673 CA TYR A 111 9.915 7.755 5.761 1.00 0.00 C ATOM 1674 C TYR A 111 10.367 9.062 5.116 1.00 0.00 C ATOM 1675 O TYR A 111 9.730 9.564 4.190 1.00 0.00 O ATOM 1676 CB TYR A 111 9.928 6.631 4.722 1.00 0.00 C ATOM 1677 CG TYR A 111 11.314 6.280 4.229 1.00 0.00 C ATOM 1678 CD1 TYR A 111 11.957 7.070 3.284 1.00 0.00 C ATOM 1679 CD2 TYR A 111 11.979 5.158 4.707 1.00 0.00 C ATOM 1680 CE1 TYR A 111 13.222 6.752 2.830 1.00 0.00 C ATOM 1681 CE2 TYR A 111 13.245 4.833 4.260 1.00 0.00 C ATOM 1682 CZ TYR A 111 13.861 5.633 3.320 1.00 0.00 C ATOM 1683 OH TYR A 111 15.122 5.314 2.871 1.00 0.00 O ATOM 0 H TYR A 111 7.851 8.110 5.666 1.00 0.00 H new ATOM 0 HA TYR A 111 10.609 7.508 6.564 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.469 5.742 5.155 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.313 6.926 3.872 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.459 7.947 2.898 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.498 4.529 5.441 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.708 7.377 2.095 1.00 0.00 H new ATOM 0 HE2 TYR A 111 13.749 3.958 4.644 1.00 0.00 H new ATOM 0 HH TYR A 111 15.431 4.497 3.316 1.00 0.00 H new ATOM 1693 N VAL A 112 11.471 9.609 5.615 1.00 0.00 N ATOM 1694 CA VAL A 112 12.010 10.857 5.089 1.00 0.00 C ATOM 1695 C VAL A 112 13.090 10.592 4.046 1.00 0.00 C ATOM 1696 O VAL A 112 14.229 10.267 4.383 1.00 0.00 O ATOM 1697 CB VAL A 112 12.599 11.731 6.211 1.00 0.00 C ATOM 1698 CG1 VAL A 112 13.140 13.036 5.645 1.00 0.00 C ATOM 1699 CG2 VAL A 112 11.554 11.998 7.283 1.00 0.00 C ATOM 0 H VAL A 112 12.009 9.207 6.383 1.00 0.00 H new ATOM 0 HA VAL A 112 11.181 11.389 4.623 1.00 0.00 H new ATOM 0 HB VAL A 112 13.427 11.191 6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.552 13.640 6.453 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.923 12.820 4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.333 13.584 5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.988 12.617 8.068 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.703 12.516 6.841 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.221 11.052 7.710 1.00 0.00 H new ATOM 1709 N VAL A 113 12.726 10.735 2.775 1.00 0.00 N ATOM 1710 CA VAL A 113 13.663 10.513 1.681 1.00 0.00 C ATOM 1711 C VAL A 113 14.726 11.606 1.638 1.00 0.00 C ATOM 1712 O VAL A 113 14.450 12.737 1.240 1.00 0.00 O ATOM 1713 CB VAL A 113 12.940 10.461 0.323 1.00 0.00 C ATOM 1714 CG1 VAL A 113 13.931 10.630 -0.818 1.00 0.00 C ATOM 1715 CG2 VAL A 113 12.168 9.158 0.180 1.00 0.00 C ATOM 0 H VAL A 113 11.788 11.004 2.478 1.00 0.00 H new ATOM 0 HA VAL A 113 14.142 9.551 1.865 1.00 0.00 H new ATOM 0 HB VAL A 113 12.229 11.286 0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 113 13.401 10.590 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.435 11.592 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 113 14.669 9.829 -0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.663 9.138 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 113 12.858 8.317 0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.429 9.084 0.977 1.00 0.00 H new ATOM 1725 N SER A 114 15.942 11.259 2.048 1.00 0.00 N ATOM 1726 CA SER A 114 17.046 12.212 2.059 1.00 0.00 C ATOM 1727 C SER A 114 18.128 11.800 1.066 1.00 0.00 C ATOM 1728 O SER A 114 19.308 11.741 1.407 1.00 0.00 O ATOM 1729 CB SER A 114 17.640 12.319 3.464 1.00 0.00 C ATOM 1730 OG SER A 114 18.215 13.597 3.678 1.00 0.00 O ATOM 0 H SER A 114 16.188 10.325 2.377 1.00 0.00 H new ATOM 0 HA SER A 114 16.657 13.186 1.762 1.00 0.00 H new ATOM 0 HB2 SER A 114 16.862 12.138 4.206 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.398 11.548 3.602 1.00 0.00 H new ATOM 0 HG SER A 114 18.587 13.641 4.584 1.00 0.00 H new