USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=27 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 -54:sc= 0.0121 USER MOD Set 1.2: A 111 TYR OH : rot 180:sc= 0.0178 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= -0.842 USER MOD Set 2.2: A 77 SER OG : rot 118:sc= 0.00949 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0765 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 2:sc= 1.11 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -156:sc= -1.79 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.44! C(o=-2.4!,f=-12!) USER MOD Single : A 49 GLN : amide:sc= -0.805 X(o=-0.81,f=-1.1) USER MOD Single : A 50 SER OG : rot -6:sc= 1.06 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.249) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 69 SER OG : rot 180:sc= -0.563! 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+ 144:sc= -0.202 (180deg=-0.924) USER MOD Single : A 88 SER OG : rot 180:sc= -0.774 USER MOD Single : A 89 TYR OH : rot -153:sc= 0.25 USER MOD Single : A 90 LYS NZ :NH3+ -128:sc= 0 (180deg=-1.05) USER MOD Single : A 97 ASN : amide:sc= -5.88! C(o=-5.9!,f=-21!) USER MOD Single : A 98 MET CE :methyl -157:sc= -0.0322 (180deg=-0.983) USER MOD Single : A 102 SER OG : rot 83:sc= 0.883 USER MOD Single : A 105 SER OG : rot 100:sc= 0.957 USER MOD Single : A 108 SER OG : rot 121:sc= -1.21 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 169 N LEU A 15 -20.419 -13.000 -2.588 1.00 0.00 N ATOM 170 CA LEU A 15 -19.103 -12.880 -1.968 1.00 0.00 C ATOM 171 C LEU A 15 -18.850 -11.449 -1.504 1.00 0.00 C ATOM 172 O LEU A 15 -19.732 -10.595 -1.581 1.00 0.00 O ATOM 173 CB LEU A 15 -18.013 -13.311 -2.950 1.00 0.00 C ATOM 174 CG LEU A 15 -17.769 -14.816 -3.064 1.00 0.00 C ATOM 175 CD1 LEU A 15 -17.217 -15.165 -4.438 1.00 0.00 C ATOM 176 CD2 LEU A 15 -16.822 -15.288 -1.970 1.00 0.00 C ATOM 0 HA LEU A 15 -19.077 -13.535 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.270 -12.929 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.078 -12.833 -2.657 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.722 -15.330 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.050 -16.240 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.931 -14.864 -5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.274 -14.641 -4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -16.660 -16.362 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.869 -14.767 -2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -17.258 -15.074 -0.994 1.00 0.00 H new ATOM 188 N SER A 16 -17.637 -11.195 -1.023 1.00 0.00 N ATOM 189 CA SER A 16 -17.266 -9.869 -0.544 1.00 0.00 C ATOM 190 C SER A 16 -15.892 -9.467 -1.070 1.00 0.00 C ATOM 191 O SER A 16 -15.084 -10.303 -1.475 1.00 0.00 O ATOM 192 CB SER A 16 -17.269 -9.835 0.985 1.00 0.00 C ATOM 193 OG SER A 16 -16.931 -11.103 1.523 1.00 0.00 O ATOM 0 H SER A 16 -16.894 -11.891 -0.955 1.00 0.00 H new ATOM 0 HA SER A 16 -18.002 -9.157 -0.917 1.00 0.00 H new ATOM 0 HB2 SER A 16 -16.560 -9.086 1.337 1.00 0.00 H new ATOM 0 HB3 SER A 16 -18.254 -9.535 1.344 1.00 0.00 H new ATOM 0 HG SER A 16 -16.938 -11.055 2.502 1.00 0.00 H new ATOM 199 N PRO A 17 -15.619 -8.153 -1.066 1.00 0.00 N ATOM 200 CA PRO A 17 -14.343 -7.607 -1.539 1.00 0.00 C ATOM 201 C PRO A 17 -13.185 -7.951 -0.608 1.00 0.00 C ATOM 202 O PRO A 17 -13.376 -8.458 0.498 1.00 0.00 O ATOM 203 CB PRO A 17 -14.587 -6.097 -1.555 1.00 0.00 C ATOM 204 CG PRO A 17 -15.662 -5.876 -0.548 1.00 0.00 C ATOM 205 CD PRO A 17 -16.535 -7.100 -0.599 1.00 0.00 C ATOM 0 HA PRO A 17 -14.059 -8.016 -2.509 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.682 -5.547 -1.295 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.895 -5.756 -2.544 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.241 -5.738 0.448 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -16.235 -4.978 -0.779 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.953 -7.336 0.379 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -17.375 -6.966 -1.281 1.00 0.00 H new ATOM 213 N PRO A 18 -11.955 -7.669 -1.063 1.00 0.00 N ATOM 214 CA PRO A 18 -10.743 -7.940 -0.284 1.00 0.00 C ATOM 215 C PRO A 18 -10.613 -7.020 0.924 1.00 0.00 C ATOM 216 O PRO A 18 -11.148 -5.912 0.932 1.00 0.00 O ATOM 217 CB PRO A 18 -9.614 -7.674 -1.284 1.00 0.00 C ATOM 218 CG PRO A 18 -10.196 -6.717 -2.266 1.00 0.00 C ATOM 219 CD PRO A 18 -11.654 -7.066 -2.371 1.00 0.00 C ATOM 0 HA PRO A 18 -10.739 -8.950 0.127 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.739 -7.251 -0.790 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.292 -8.594 -1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.064 -5.688 -1.933 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.703 -6.804 -3.234 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.266 -6.183 -2.557 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.843 -7.763 -3.188 1.00 0.00 H new ATOM 227 N GLU A 19 -9.897 -7.485 1.943 1.00 0.00 N ATOM 228 CA GLU A 19 -9.697 -6.703 3.157 1.00 0.00 C ATOM 229 C GLU A 19 -8.374 -5.944 3.103 1.00 0.00 C ATOM 230 O GLU A 19 -7.585 -6.116 2.176 1.00 0.00 O ATOM 231 CB GLU A 19 -9.726 -7.613 4.387 1.00 0.00 C ATOM 232 CG GLU A 19 -8.399 -8.295 4.671 1.00 0.00 C ATOM 233 CD GLU A 19 -8.403 -9.057 5.982 1.00 0.00 C ATOM 234 OE1 GLU A 19 -8.789 -10.245 5.976 1.00 0.00 O ATOM 235 OE2 GLU A 19 -8.021 -8.466 7.013 1.00 0.00 O ATOM 0 H GLU A 19 -9.446 -8.400 1.952 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.509 -5.979 3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.016 -7.024 5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.494 -8.374 4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.166 -8.981 3.857 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.607 -7.546 4.693 1.00 0.00 H new ATOM 242 N ALA A 20 -8.142 -5.101 4.105 1.00 0.00 N ATOM 243 CA ALA A 20 -6.916 -4.316 4.173 1.00 0.00 C ATOM 244 C ALA A 20 -5.711 -5.205 4.463 1.00 0.00 C ATOM 245 O ALA A 20 -5.656 -5.910 5.471 1.00 0.00 O ATOM 246 CB ALA A 20 -7.041 -3.232 5.234 1.00 0.00 C ATOM 0 H ALA A 20 -8.787 -4.945 4.880 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.762 -3.844 3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.118 -2.654 5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.872 -2.572 4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.223 -3.693 6.205 1.00 0.00 H new ATOM 252 N PRO A 21 -4.721 -5.172 3.559 1.00 0.00 N ATOM 253 CA PRO A 21 -3.498 -5.969 3.696 1.00 0.00 C ATOM 254 C PRO A 21 -2.609 -5.476 4.833 1.00 0.00 C ATOM 255 O PRO A 21 -2.738 -4.339 5.286 1.00 0.00 O ATOM 256 CB PRO A 21 -2.797 -5.779 2.348 1.00 0.00 C ATOM 257 CG PRO A 21 -3.302 -4.472 1.840 1.00 0.00 C ATOM 258 CD PRO A 21 -4.718 -4.355 2.334 1.00 0.00 C ATOM 0 HA PRO A 21 -3.715 -7.010 3.936 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.713 -5.767 2.463 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.035 -6.590 1.660 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.691 -3.648 2.208 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.264 -4.435 0.751 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.987 -3.319 2.541 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.432 -4.729 1.600 1.00 0.00 H new ATOM 266 N ASP A 22 -1.706 -6.338 5.288 1.00 0.00 N ATOM 267 CA ASP A 22 -0.794 -5.989 6.371 1.00 0.00 C ATOM 268 C ASP A 22 -0.119 -4.648 6.102 1.00 0.00 C ATOM 269 O ASP A 22 -0.288 -4.060 5.034 1.00 0.00 O ATOM 270 CB ASP A 22 0.263 -7.080 6.548 1.00 0.00 C ATOM 271 CG ASP A 22 0.754 -7.186 7.978 1.00 0.00 C ATOM 272 OD1 ASP A 22 0.443 -6.279 8.779 1.00 0.00 O ATOM 273 OD2 ASP A 22 1.448 -8.173 8.296 1.00 0.00 O ATOM 0 H ASP A 22 -1.586 -7.283 4.924 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.375 -5.905 7.289 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.153 -8.039 6.238 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.108 -6.873 5.892 1.00 0.00 H new ATOM 278 N ARG A 23 0.644 -4.169 7.079 1.00 0.00 N ATOM 279 CA ARG A 23 1.342 -2.895 6.948 1.00 0.00 C ATOM 280 C ARG A 23 2.620 -3.058 6.130 1.00 0.00 C ATOM 281 O ARG A 23 3.496 -3.860 6.452 1.00 0.00 O ATOM 282 CB ARG A 23 1.679 -2.331 8.330 1.00 0.00 C ATOM 283 CG ARG A 23 2.270 -0.931 8.288 1.00 0.00 C ATOM 284 CD ARG A 23 2.848 -0.530 9.637 1.00 0.00 C ATOM 285 NE ARG A 23 1.811 -0.097 10.569 1.00 0.00 N ATOM 286 CZ ARG A 23 2.014 0.055 11.873 1.00 0.00 C ATOM 287 NH1 ARG A 23 3.208 -0.186 12.395 1.00 0.00 N ATOM 288 NH2 ARG A 23 1.019 0.453 12.658 1.00 0.00 N ATOM 0 H ARG A 23 0.795 -4.643 7.969 1.00 0.00 H new ATOM 0 HA ARG A 23 0.683 -2.199 6.428 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.774 -2.316 8.938 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.384 -2.999 8.824 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.051 -0.887 7.529 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.499 -0.218 7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.390 -1.373 10.064 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.569 0.275 9.498 1.00 0.00 H new ATOM 0 HE ARG A 23 0.881 0.099 10.199 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.975 -0.489 11.795 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.360 -0.068 13.397 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.099 0.642 12.259 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.175 0.570 13.659 1.00 0.00 H new ATOM 302 N PRO A 24 2.729 -2.277 5.044 1.00 0.00 N ATOM 303 CA PRO A 24 3.895 -2.316 4.156 1.00 0.00 C ATOM 304 C PRO A 24 5.144 -1.742 4.815 1.00 0.00 C ATOM 305 O PRO A 24 5.069 -0.786 5.586 1.00 0.00 O ATOM 306 CB PRO A 24 3.467 -1.446 2.972 1.00 0.00 C ATOM 307 CG PRO A 24 2.442 -0.521 3.531 1.00 0.00 C ATOM 308 CD PRO A 24 1.723 -1.297 4.600 1.00 0.00 C ATOM 0 HA PRO A 24 4.163 -3.335 3.879 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.313 -0.896 2.559 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.055 -2.051 2.165 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.908 0.374 3.945 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.750 -0.191 2.756 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.402 -0.652 5.418 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.830 -1.786 4.210 1.00 0.00 H new ATOM 316 N THR A 25 6.295 -2.331 4.505 1.00 0.00 N ATOM 317 CA THR A 25 7.561 -1.879 5.068 1.00 0.00 C ATOM 318 C THR A 25 8.249 -0.882 4.142 1.00 0.00 C ATOM 319 O THR A 25 7.873 -0.740 2.978 1.00 0.00 O ATOM 320 CB THR A 25 8.513 -3.061 5.329 1.00 0.00 C ATOM 321 OG1 THR A 25 9.637 -2.623 6.100 1.00 0.00 O ATOM 322 CG2 THR A 25 8.997 -3.667 4.019 1.00 0.00 C ATOM 0 H THR A 25 6.376 -3.122 3.867 1.00 0.00 H new ATOM 0 HA THR A 25 7.330 -1.392 6.015 1.00 0.00 H new ATOM 0 HB THR A 25 7.966 -3.823 5.884 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.237 -3.381 6.263 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.668 -4.500 4.229 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.142 -4.026 3.446 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.528 -2.910 3.442 1.00 0.00 H new ATOM 330 N ILE A 26 9.258 -0.195 4.665 1.00 0.00 N ATOM 331 CA ILE A 26 9.999 0.788 3.884 1.00 0.00 C ATOM 332 C ILE A 26 11.497 0.499 3.915 1.00 0.00 C ATOM 333 O ILE A 26 12.094 0.380 4.985 1.00 0.00 O ATOM 334 CB ILE A 26 9.753 2.218 4.400 1.00 0.00 C ATOM 335 CG1 ILE A 26 8.283 2.400 4.782 1.00 0.00 C ATOM 336 CG2 ILE A 26 10.163 3.238 3.347 1.00 0.00 C ATOM 337 CD1 ILE A 26 7.321 2.049 3.668 1.00 0.00 C ATOM 0 H ILE A 26 9.582 -0.301 5.627 1.00 0.00 H new ATOM 0 HA ILE A 26 9.638 0.713 2.858 1.00 0.00 H new ATOM 0 HB ILE A 26 10.362 2.378 5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.062 1.780 5.651 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.119 3.436 5.080 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.983 4.244 3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.222 3.120 3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.577 3.081 2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.297 2.202 4.010 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.515 2.687 2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.457 1.005 3.385 1.00 0.00 H new ATOM 349 N SER A 27 12.096 0.388 2.735 1.00 0.00 N ATOM 350 CA SER A 27 13.524 0.112 2.626 1.00 0.00 C ATOM 351 C SER A 27 14.217 1.159 1.759 1.00 0.00 C ATOM 352 O SER A 27 13.577 2.075 1.242 1.00 0.00 O ATOM 353 CB SER A 27 13.752 -1.284 2.041 1.00 0.00 C ATOM 354 OG SER A 27 13.824 -2.260 3.065 1.00 0.00 O ATOM 0 H SER A 27 11.615 0.485 1.840 1.00 0.00 H new ATOM 0 HA SER A 27 13.954 0.154 3.627 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.942 -1.531 1.355 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.675 -1.292 1.461 1.00 0.00 H new ATOM 0 HG SER A 27 13.968 -3.143 2.666 1.00 0.00 H new ATOM 360 N THR A 28 15.529 1.015 1.603 1.00 0.00 N ATOM 361 CA THR A 28 16.309 1.948 0.799 1.00 0.00 C ATOM 362 C THR A 28 16.549 1.398 -0.602 1.00 0.00 C ATOM 363 O THR A 28 17.449 0.588 -0.816 1.00 0.00 O ATOM 364 CB THR A 28 17.668 2.255 1.457 1.00 0.00 C ATOM 365 OG1 THR A 28 17.472 2.681 2.811 1.00 0.00 O ATOM 366 CG2 THR A 28 18.412 3.334 0.683 1.00 0.00 C ATOM 0 H THR A 28 16.074 0.262 2.023 1.00 0.00 H new ATOM 0 HA THR A 28 15.730 2.869 0.731 1.00 0.00 H new ATOM 0 HB THR A 28 18.266 1.344 1.446 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.844 3.433 2.830 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.368 3.534 1.166 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.585 2.995 -0.338 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.816 4.246 0.666 1.00 0.00 H new ATOM 374 N ALA A 29 15.738 1.847 -1.556 1.00 0.00 N ATOM 375 CA ALA A 29 15.864 1.402 -2.937 1.00 0.00 C ATOM 376 C ALA A 29 16.555 2.459 -3.793 1.00 0.00 C ATOM 377 O ALA A 29 17.377 2.136 -4.651 1.00 0.00 O ATOM 378 CB ALA A 29 14.495 1.068 -3.511 1.00 0.00 C ATOM 0 H ALA A 29 14.987 2.519 -1.396 1.00 0.00 H new ATOM 0 HA ALA A 29 16.480 0.503 -2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.604 0.737 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.037 0.273 -2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.861 1.954 -3.479 1.00 0.00 H new ATOM 384 N SER A 30 16.215 3.722 -3.555 1.00 0.00 N ATOM 385 CA SER A 30 16.801 4.825 -4.307 1.00 0.00 C ATOM 386 C SER A 30 16.532 6.157 -3.614 1.00 0.00 C ATOM 387 O SER A 30 15.734 6.233 -2.680 1.00 0.00 O ATOM 388 CB SER A 30 16.238 4.856 -5.729 1.00 0.00 C ATOM 389 OG SER A 30 16.749 3.783 -6.503 1.00 0.00 O ATOM 0 H SER A 30 15.537 4.006 -2.848 1.00 0.00 H new ATOM 0 HA SER A 30 17.879 4.669 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.150 4.798 -5.694 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.492 5.804 -6.203 1.00 0.00 H new ATOM 0 HG SER A 30 17.342 3.233 -5.949 1.00 0.00 H new ATOM 395 N GLU A 31 17.205 7.205 -4.079 1.00 0.00 N ATOM 396 CA GLU A 31 17.040 8.535 -3.503 1.00 0.00 C ATOM 397 C GLU A 31 15.707 9.149 -3.923 1.00 0.00 C ATOM 398 O GLU A 31 15.259 10.143 -3.350 1.00 0.00 O ATOM 399 CB GLU A 31 18.191 9.448 -3.932 1.00 0.00 C ATOM 400 CG GLU A 31 18.092 9.916 -5.374 1.00 0.00 C ATOM 401 CD GLU A 31 19.443 10.265 -5.968 1.00 0.00 C ATOM 402 OE1 GLU A 31 20.182 11.050 -5.339 1.00 0.00 O ATOM 403 OE2 GLU A 31 19.761 9.751 -7.061 1.00 0.00 O ATOM 0 H GLU A 31 17.869 7.159 -4.852 1.00 0.00 H new ATOM 0 HA GLU A 31 17.049 8.436 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.216 10.319 -3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 31 19.134 8.919 -3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.626 9.135 -5.974 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.440 10.788 -5.425 1.00 0.00 H new ATOM 410 N THR A 32 15.077 8.548 -4.928 1.00 0.00 N ATOM 411 CA THR A 32 13.797 9.035 -5.427 1.00 0.00 C ATOM 412 C THR A 32 12.705 7.986 -5.254 1.00 0.00 C ATOM 413 O THR A 32 11.539 8.235 -5.560 1.00 0.00 O ATOM 414 CB THR A 32 13.886 9.426 -6.915 1.00 0.00 C ATOM 415 OG1 THR A 32 14.523 8.381 -7.659 1.00 0.00 O ATOM 416 CG2 THR A 32 14.661 10.724 -7.088 1.00 0.00 C ATOM 0 H THR A 32 15.432 7.724 -5.412 1.00 0.00 H new ATOM 0 HA THR A 32 13.545 9.919 -4.841 1.00 0.00 H new ATOM 0 HB THR A 32 12.873 9.573 -7.291 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.574 8.636 -8.604 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.711 10.980 -8.146 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.157 11.524 -6.545 1.00 0.00 H new ATOM 0 HG23 THR A 32 15.671 10.600 -6.697 1.00 0.00 H new ATOM 424 N SER A 33 13.090 6.814 -4.760 1.00 0.00 N ATOM 425 CA SER A 33 12.142 5.726 -4.549 1.00 0.00 C ATOM 426 C SER A 33 12.529 4.898 -3.328 1.00 0.00 C ATOM 427 O SER A 33 13.553 5.151 -2.691 1.00 0.00 O ATOM 428 CB SER A 33 12.077 4.830 -5.788 1.00 0.00 C ATOM 429 OG SER A 33 13.087 3.836 -5.750 1.00 0.00 O ATOM 0 H SER A 33 14.051 6.593 -4.498 1.00 0.00 H new ATOM 0 HA SER A 33 11.159 6.162 -4.374 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.097 4.356 -5.847 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.192 5.437 -6.686 1.00 0.00 H new ATOM 0 HG SER A 33 13.286 3.537 -6.662 1.00 0.00 H new ATOM 435 N VAL A 34 11.705 3.906 -3.006 1.00 0.00 N ATOM 436 CA VAL A 34 11.960 3.039 -1.863 1.00 0.00 C ATOM 437 C VAL A 34 11.299 1.678 -2.046 1.00 0.00 C ATOM 438 O VAL A 34 10.253 1.566 -2.687 1.00 0.00 O ATOM 439 CB VAL A 34 11.453 3.673 -0.554 1.00 0.00 C ATOM 440 CG1 VAL A 34 12.158 4.994 -0.290 1.00 0.00 C ATOM 441 CG2 VAL A 34 9.944 3.865 -0.605 1.00 0.00 C ATOM 0 H VAL A 34 10.854 3.683 -3.522 1.00 0.00 H new ATOM 0 HA VAL A 34 13.040 2.908 -1.800 1.00 0.00 H new ATOM 0 HB VAL A 34 11.683 2.996 0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.786 5.426 0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.231 4.823 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.963 5.681 -1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.603 4.314 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.689 4.520 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.459 2.899 -0.741 1.00 0.00 H new ATOM 451 N TYR A 35 11.914 0.646 -1.479 1.00 0.00 N ATOM 452 CA TYR A 35 11.386 -0.709 -1.581 1.00 0.00 C ATOM 453 C TYR A 35 10.296 -0.949 -0.540 1.00 0.00 C ATOM 454 O TYR A 35 10.544 -0.879 0.663 1.00 0.00 O ATOM 455 CB TYR A 35 12.509 -1.732 -1.405 1.00 0.00 C ATOM 456 CG TYR A 35 13.337 -1.942 -2.651 1.00 0.00 C ATOM 457 CD1 TYR A 35 12.736 -2.262 -3.863 1.00 0.00 C ATOM 458 CD2 TYR A 35 14.721 -1.822 -2.619 1.00 0.00 C ATOM 459 CE1 TYR A 35 13.489 -2.457 -5.005 1.00 0.00 C ATOM 460 CE2 TYR A 35 15.482 -2.013 -3.756 1.00 0.00 C ATOM 461 CZ TYR A 35 14.862 -2.330 -4.946 1.00 0.00 C ATOM 462 OH TYR A 35 15.615 -2.522 -6.082 1.00 0.00 O ATOM 0 H TYR A 35 12.779 0.722 -0.944 1.00 0.00 H new ATOM 0 HA TYR A 35 10.949 -0.827 -2.572 1.00 0.00 H new ATOM 0 HB2 TYR A 35 13.162 -1.406 -0.596 1.00 0.00 H new ATOM 0 HB3 TYR A 35 12.076 -2.685 -1.101 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.662 -2.360 -3.913 1.00 0.00 H new ATOM 0 HD2 TYR A 35 15.211 -1.575 -1.689 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.006 -2.707 -5.938 1.00 0.00 H new ATOM 0 HE2 TYR A 35 16.557 -1.915 -3.713 1.00 0.00 H new ATOM 0 HH TYR A 35 16.564 -2.395 -5.871 1.00 0.00 H new ATOM 472 N VAL A 36 9.087 -1.233 -1.014 1.00 0.00 N ATOM 473 CA VAL A 36 7.957 -1.485 -0.126 1.00 0.00 C ATOM 474 C VAL A 36 7.492 -2.934 -0.228 1.00 0.00 C ATOM 475 O VAL A 36 7.285 -3.456 -1.324 1.00 0.00 O ATOM 476 CB VAL A 36 6.774 -0.553 -0.446 1.00 0.00 C ATOM 477 CG1 VAL A 36 5.590 -0.866 0.458 1.00 0.00 C ATOM 478 CG2 VAL A 36 7.191 0.903 -0.307 1.00 0.00 C ATOM 0 H VAL A 36 8.864 -1.294 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 36 8.300 -1.287 0.889 1.00 0.00 H new ATOM 0 HB VAL A 36 6.468 -0.722 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.763 -0.198 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.278 -1.899 0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.880 -0.725 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.343 1.548 -0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.523 1.090 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.006 1.116 -0.999 1.00 0.00 H new ATOM 488 N THR A 37 7.328 -3.579 0.923 1.00 0.00 N ATOM 489 CA THR A 37 6.887 -4.967 0.965 1.00 0.00 C ATOM 490 C THR A 37 5.704 -5.141 1.910 1.00 0.00 C ATOM 491 O THR A 37 5.803 -4.851 3.102 1.00 0.00 O ATOM 492 CB THR A 37 8.025 -5.905 1.407 1.00 0.00 C ATOM 493 OG1 THR A 37 9.154 -5.750 0.540 1.00 0.00 O ATOM 494 CG2 THR A 37 7.567 -7.356 1.397 1.00 0.00 C ATOM 0 H THR A 37 7.494 -3.162 1.839 1.00 0.00 H new ATOM 0 HA THR A 37 6.581 -5.231 -0.047 1.00 0.00 H new ATOM 0 HB THR A 37 8.310 -5.638 2.425 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.873 -6.349 0.829 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.388 -7.999 1.713 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.727 -7.477 2.081 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.257 -7.633 0.389 1.00 0.00 H new ATOM 502 N TRP A 38 4.586 -5.614 1.371 1.00 0.00 N ATOM 503 CA TRP A 38 3.383 -5.826 2.168 1.00 0.00 C ATOM 504 C TRP A 38 2.977 -7.296 2.159 1.00 0.00 C ATOM 505 O TRP A 38 3.531 -8.098 1.408 1.00 0.00 O ATOM 506 CB TRP A 38 2.237 -4.964 1.638 1.00 0.00 C ATOM 507 CG TRP A 38 1.773 -5.368 0.270 1.00 0.00 C ATOM 508 CD1 TRP A 38 0.671 -6.114 -0.033 1.00 0.00 C ATOM 509 CD2 TRP A 38 2.400 -5.048 -0.975 1.00 0.00 C ATOM 510 NE1 TRP A 38 0.575 -6.278 -1.395 1.00 0.00 N ATOM 511 CE2 TRP A 38 1.624 -5.632 -1.995 1.00 0.00 C ATOM 512 CE3 TRP A 38 3.541 -4.323 -1.330 1.00 0.00 C ATOM 513 CZ2 TRP A 38 1.954 -5.514 -3.342 1.00 0.00 C ATOM 514 CZ3 TRP A 38 3.867 -4.208 -2.668 1.00 0.00 C ATOM 515 CH2 TRP A 38 3.075 -4.799 -3.661 1.00 0.00 C ATOM 0 H TRP A 38 4.487 -5.858 0.386 1.00 0.00 H new ATOM 0 HA TRP A 38 3.601 -5.535 3.195 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.397 -5.023 2.331 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.557 -3.922 1.612 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -0.023 -6.516 0.690 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -0.158 -6.796 -1.880 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.157 -3.861 -0.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 1.346 -5.971 -4.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.748 -3.653 -2.953 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.355 -4.688 -4.698 1.00 0.00 H new ATOM 526 N ILE A 39 2.007 -7.643 2.999 1.00 0.00 N ATOM 527 CA ILE A 39 1.527 -9.016 3.086 1.00 0.00 C ATOM 528 C ILE A 39 0.003 -9.064 3.116 1.00 0.00 C ATOM 529 O ILE A 39 -0.635 -8.697 4.103 1.00 0.00 O ATOM 530 CB ILE A 39 2.076 -9.726 4.337 1.00 0.00 C ATOM 531 CG1 ILE A 39 3.595 -9.560 4.419 1.00 0.00 C ATOM 532 CG2 ILE A 39 1.701 -11.200 4.317 1.00 0.00 C ATOM 533 CD1 ILE A 39 4.353 -10.435 3.447 1.00 0.00 C ATOM 0 H ILE A 39 1.538 -6.992 3.629 1.00 0.00 H new ATOM 0 HA ILE A 39 1.888 -9.533 2.197 1.00 0.00 H new ATOM 0 HB ILE A 39 1.630 -9.269 5.220 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.849 -8.517 4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.923 -9.789 5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.096 -11.688 5.208 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.616 -11.299 4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.122 -11.671 3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.423 -10.264 3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.129 -11.482 3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.054 -10.190 2.428 1.00 0.00 H new ATOM 545 N PRO A 40 -0.596 -9.530 2.010 1.00 0.00 N ATOM 546 CA PRO A 40 -2.052 -9.641 1.885 1.00 0.00 C ATOM 547 C PRO A 40 -2.629 -10.734 2.777 1.00 0.00 C ATOM 548 O PRO A 40 -2.045 -11.809 2.913 1.00 0.00 O ATOM 549 CB PRO A 40 -2.256 -9.990 0.409 1.00 0.00 C ATOM 550 CG PRO A 40 -0.985 -10.648 -0.003 1.00 0.00 C ATOM 551 CD PRO A 40 0.103 -9.985 0.796 1.00 0.00 C ATOM 0 HA PRO A 40 -2.558 -8.727 2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.108 -10.656 0.274 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.451 -9.098 -0.186 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.018 -11.719 0.196 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.812 -10.528 -1.072 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.909 -10.680 1.033 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.550 -9.152 0.253 1.00 0.00 H new ATOM 559 N ARG A 41 -3.780 -10.455 3.380 1.00 0.00 N ATOM 560 CA ARG A 41 -4.435 -11.415 4.259 1.00 0.00 C ATOM 561 C ARG A 41 -5.702 -11.966 3.613 1.00 0.00 C ATOM 562 O ARG A 41 -5.763 -13.139 3.244 1.00 0.00 O ATOM 563 CB ARG A 41 -4.776 -10.761 5.599 1.00 0.00 C ATOM 564 CG ARG A 41 -3.753 -9.734 6.056 1.00 0.00 C ATOM 565 CD ARG A 41 -2.365 -10.346 6.174 1.00 0.00 C ATOM 566 NE ARG A 41 -2.108 -10.862 7.515 1.00 0.00 N ATOM 567 CZ ARG A 41 -1.233 -11.828 7.776 1.00 0.00 C ATOM 568 NH1 ARG A 41 -0.534 -12.377 6.792 1.00 0.00 N ATOM 569 NH2 ARG A 41 -1.053 -12.244 9.023 1.00 0.00 N ATOM 0 H ARG A 41 -4.278 -9.571 3.275 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.746 -12.242 4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.751 -10.280 5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.864 -11.537 6.360 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.727 -8.905 5.349 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.054 -9.323 7.020 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.262 -11.153 5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.615 -9.595 5.924 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.628 -10.459 8.294 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.667 -12.058 5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.137 -13.118 6.995 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.587 -11.822 9.783 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.381 -12.985 9.221 1.00 0.00 H new ATOM 583 N GLY A 42 -6.714 -11.113 3.480 1.00 0.00 N ATOM 584 CA GLY A 42 -7.965 -11.533 2.879 1.00 0.00 C ATOM 585 C GLY A 42 -8.139 -11.003 1.470 1.00 0.00 C ATOM 586 O GLY A 42 -7.671 -9.912 1.149 1.00 0.00 O ATOM 0 H GLY A 42 -6.689 -10.138 3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.009 -12.622 2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.795 -11.190 3.498 1.00 0.00 H new ATOM 590 N ASN A 43 -8.812 -11.779 0.626 1.00 0.00 N ATOM 591 CA ASN A 43 -9.044 -11.381 -0.758 1.00 0.00 C ATOM 592 C ASN A 43 -10.537 -11.239 -1.039 1.00 0.00 C ATOM 593 O ASN A 43 -10.945 -11.013 -2.177 1.00 0.00 O ATOM 594 CB ASN A 43 -8.428 -12.405 -1.714 1.00 0.00 C ATOM 595 CG ASN A 43 -9.050 -13.781 -1.567 1.00 0.00 C ATOM 596 OD1 ASN A 43 -9.921 -13.994 -0.725 1.00 0.00 O ATOM 597 ND2 ASN A 43 -8.603 -14.721 -2.390 1.00 0.00 N ATOM 0 H ASN A 43 -9.206 -12.686 0.876 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.569 -10.413 -0.918 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.553 -12.061 -2.741 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.356 -12.472 -1.529 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.984 -15.666 -2.340 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.879 -14.499 -3.073 1.00 0.00 H new ATOM 604 N GLY A 44 -11.347 -11.373 0.007 1.00 0.00 N ATOM 605 CA GLY A 44 -12.785 -11.256 -0.150 1.00 0.00 C ATOM 606 C GLY A 44 -13.420 -12.539 -0.646 1.00 0.00 C ATOM 607 O GLY A 44 -14.622 -12.584 -0.908 1.00 0.00 O ATOM 0 H GLY A 44 -11.033 -11.560 0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.230 -10.980 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.007 -10.450 -0.850 1.00 0.00 H new ATOM 611 N GLY A 45 -12.612 -13.587 -0.776 1.00 0.00 N ATOM 612 CA GLY A 45 -13.121 -14.862 -1.246 1.00 0.00 C ATOM 613 C GLY A 45 -12.718 -15.155 -2.678 1.00 0.00 C ATOM 614 O GLY A 45 -12.794 -16.297 -3.132 1.00 0.00 O ATOM 0 H GLY A 45 -11.614 -13.576 -0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.753 -15.658 -0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.208 -14.866 -1.170 1.00 0.00 H new ATOM 618 N PHE A 46 -12.288 -14.120 -3.394 1.00 0.00 N ATOM 619 CA PHE A 46 -11.875 -14.272 -4.783 1.00 0.00 C ATOM 620 C PHE A 46 -10.389 -13.965 -4.945 1.00 0.00 C ATOM 621 O PHE A 46 -9.761 -13.342 -4.089 1.00 0.00 O ATOM 622 CB PHE A 46 -12.699 -13.350 -5.686 1.00 0.00 C ATOM 623 CG PHE A 46 -13.928 -14.004 -6.248 1.00 0.00 C ATOM 624 CD1 PHE A 46 -13.866 -15.277 -6.790 1.00 0.00 C ATOM 625 CD2 PHE A 46 -15.147 -13.345 -6.232 1.00 0.00 C ATOM 626 CE1 PHE A 46 -14.996 -15.880 -7.309 1.00 0.00 C ATOM 627 CE2 PHE A 46 -16.280 -13.944 -6.748 1.00 0.00 C ATOM 628 CZ PHE A 46 -16.206 -15.213 -7.287 1.00 0.00 C ATOM 0 H PHE A 46 -12.217 -13.168 -3.034 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.049 -15.307 -5.077 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.994 -12.468 -5.118 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.072 -13.005 -6.508 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.924 -15.805 -6.807 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -15.212 -12.352 -5.812 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.933 -16.872 -7.732 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.224 -13.419 -6.730 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.091 -15.683 -7.690 1.00 0.00 H new ATOM 638 N PRO A 47 -9.811 -14.415 -6.069 1.00 0.00 N ATOM 639 CA PRO A 47 -8.393 -14.200 -6.371 1.00 0.00 C ATOM 640 C PRO A 47 -8.079 -12.740 -6.676 1.00 0.00 C ATOM 641 O PRO A 47 -8.600 -12.172 -7.637 1.00 0.00 O ATOM 642 CB PRO A 47 -8.159 -15.069 -7.610 1.00 0.00 C ATOM 643 CG PRO A 47 -9.497 -15.177 -8.254 1.00 0.00 C ATOM 644 CD PRO A 47 -10.498 -15.165 -7.134 1.00 0.00 C ATOM 0 HA PRO A 47 -7.753 -14.456 -5.527 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.432 -14.613 -8.282 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.770 -16.050 -7.338 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.668 -14.347 -8.939 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.576 -16.094 -8.838 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.428 -14.680 -7.431 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.754 -16.175 -6.813 1.00 0.00 H new ATOM 652 N ILE A 48 -7.225 -12.138 -5.855 1.00 0.00 N ATOM 653 CA ILE A 48 -6.841 -10.745 -6.040 1.00 0.00 C ATOM 654 C ILE A 48 -6.425 -10.475 -7.483 1.00 0.00 C ATOM 655 O ILE A 48 -5.634 -11.221 -8.060 1.00 0.00 O ATOM 656 CB ILE A 48 -5.684 -10.351 -5.103 1.00 0.00 C ATOM 657 CG1 ILE A 48 -6.156 -10.351 -3.647 1.00 0.00 C ATOM 658 CG2 ILE A 48 -5.134 -8.985 -5.487 1.00 0.00 C ATOM 659 CD1 ILE A 48 -5.037 -10.146 -2.650 1.00 0.00 C ATOM 0 H ILE A 48 -6.786 -12.594 -5.055 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.716 -10.142 -5.798 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.885 -11.085 -5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.899 -9.565 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.653 -11.298 -3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.317 -8.720 -4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.766 -9.016 -6.512 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.925 -8.239 -5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.444 -10.157 -1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.305 -10.946 -2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.555 -9.186 -2.836 1.00 0.00 H new ATOM 671 N GLN A 49 -6.964 -9.405 -8.058 1.00 0.00 N ATOM 672 CA GLN A 49 -6.648 -9.037 -9.432 1.00 0.00 C ATOM 673 C GLN A 49 -5.382 -8.188 -9.492 1.00 0.00 C ATOM 674 O GLN A 49 -4.476 -8.462 -10.279 1.00 0.00 O ATOM 675 CB GLN A 49 -7.817 -8.275 -10.061 1.00 0.00 C ATOM 676 CG GLN A 49 -9.033 -9.145 -10.333 1.00 0.00 C ATOM 677 CD GLN A 49 -10.051 -8.461 -11.225 1.00 0.00 C ATOM 678 OE1 GLN A 49 -9.939 -7.268 -11.513 1.00 0.00 O ATOM 679 NE2 GLN A 49 -11.051 -9.214 -11.667 1.00 0.00 N ATOM 0 H GLN A 49 -7.621 -8.778 -7.594 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.476 -9.954 -9.995 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.106 -7.458 -9.400 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.485 -7.825 -10.997 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.712 -10.076 -10.801 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.504 -9.410 -9.387 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.104 -10.198 -11.403 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.766 -8.809 -12.271 1.00 0.00 H new ATOM 688 N SER A 50 -5.327 -7.157 -8.655 1.00 0.00 N ATOM 689 CA SER A 50 -4.173 -6.266 -8.615 1.00 0.00 C ATOM 690 C SER A 50 -4.143 -5.475 -7.311 1.00 0.00 C ATOM 691 O SER A 50 -5.154 -5.359 -6.618 1.00 0.00 O ATOM 692 CB SER A 50 -4.203 -5.307 -9.806 1.00 0.00 C ATOM 693 OG SER A 50 -3.992 -5.999 -11.024 1.00 0.00 O ATOM 0 H SER A 50 -6.068 -6.918 -7.996 1.00 0.00 H new ATOM 0 HA SER A 50 -3.271 -6.876 -8.670 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.163 -4.792 -9.838 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.436 -4.543 -9.681 1.00 0.00 H new ATOM 0 HG SER A 50 -3.778 -6.936 -10.835 1.00 0.00 H new ATOM 699 N PHE A 51 -2.975 -4.933 -6.983 1.00 0.00 N ATOM 700 CA PHE A 51 -2.811 -4.152 -5.761 1.00 0.00 C ATOM 701 C PHE A 51 -2.612 -2.674 -6.082 1.00 0.00 C ATOM 702 O PHE A 51 -2.445 -2.297 -7.243 1.00 0.00 O ATOM 703 CB PHE A 51 -1.621 -4.675 -4.954 1.00 0.00 C ATOM 704 CG PHE A 51 -1.865 -6.020 -4.329 1.00 0.00 C ATOM 705 CD1 PHE A 51 -2.797 -6.169 -3.316 1.00 0.00 C ATOM 706 CD2 PHE A 51 -1.161 -7.134 -4.756 1.00 0.00 C ATOM 707 CE1 PHE A 51 -3.024 -7.405 -2.739 1.00 0.00 C ATOM 708 CE2 PHE A 51 -1.383 -8.372 -4.183 1.00 0.00 C ATOM 709 CZ PHE A 51 -2.314 -8.507 -3.173 1.00 0.00 C ATOM 0 H PHE A 51 -2.128 -5.020 -7.545 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.719 -4.257 -5.167 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.750 -4.739 -5.606 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.380 -3.957 -4.170 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.353 -5.310 -2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.431 -7.034 -5.545 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.755 -7.508 -1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.828 -9.233 -4.525 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.487 -9.473 -2.723 1.00 0.00 H new ATOM 719 N ARG A 52 -2.632 -1.843 -5.046 1.00 0.00 N ATOM 720 CA ARG A 52 -2.456 -0.405 -5.217 1.00 0.00 C ATOM 721 C ARG A 52 -1.715 0.197 -4.027 1.00 0.00 C ATOM 722 O ARG A 52 -2.028 -0.098 -2.873 1.00 0.00 O ATOM 723 CB ARG A 52 -3.813 0.280 -5.387 1.00 0.00 C ATOM 724 CG ARG A 52 -4.415 0.101 -6.772 1.00 0.00 C ATOM 725 CD ARG A 52 -5.472 1.156 -7.059 1.00 0.00 C ATOM 726 NE ARG A 52 -6.157 0.914 -8.327 1.00 0.00 N ATOM 727 CZ ARG A 52 -7.007 1.773 -8.879 1.00 0.00 C ATOM 728 NH1 ARG A 52 -7.277 2.924 -8.277 1.00 0.00 N ATOM 729 NH2 ARG A 52 -7.590 1.481 -10.034 1.00 0.00 N ATOM 0 H ARG A 52 -2.768 -2.140 -4.080 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.860 -0.241 -6.115 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.506 -0.116 -4.645 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.701 1.345 -5.183 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.627 0.160 -7.523 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.858 -0.891 -6.852 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.202 1.168 -6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.005 2.141 -7.081 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.972 0.038 -8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.832 3.151 -7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.930 3.582 -8.703 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.386 0.596 -10.499 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.242 2.141 -10.457 1.00 0.00 H new ATOM 743 N VAL A 53 -0.732 1.044 -4.315 1.00 0.00 N ATOM 744 CA VAL A 53 0.052 1.689 -3.268 1.00 0.00 C ATOM 745 C VAL A 53 -0.200 3.192 -3.239 1.00 0.00 C ATOM 746 O VAL A 53 -0.223 3.847 -4.280 1.00 0.00 O ATOM 747 CB VAL A 53 1.559 1.436 -3.460 1.00 0.00 C ATOM 748 CG1 VAL A 53 2.355 2.061 -2.323 1.00 0.00 C ATOM 749 CG2 VAL A 53 1.840 -0.055 -3.562 1.00 0.00 C ATOM 0 H VAL A 53 -0.460 1.300 -5.264 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.265 1.253 -2.321 1.00 0.00 H new ATOM 0 HB VAL A 53 1.873 1.906 -4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.418 1.872 -2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.177 3.136 -2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.041 1.623 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.910 -0.215 -3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.512 -0.550 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.300 -0.470 -4.414 1.00 0.00 H new ATOM 759 N GLU A 54 -0.389 3.732 -2.040 1.00 0.00 N ATOM 760 CA GLU A 54 -0.640 5.159 -1.875 1.00 0.00 C ATOM 761 C GLU A 54 0.172 5.725 -0.714 1.00 0.00 C ATOM 762 O GLU A 54 0.405 5.043 0.285 1.00 0.00 O ATOM 763 CB GLU A 54 -2.131 5.414 -1.640 1.00 0.00 C ATOM 764 CG GLU A 54 -3.019 4.906 -2.765 1.00 0.00 C ATOM 765 CD GLU A 54 -3.407 3.451 -2.590 1.00 0.00 C ATOM 766 OE1 GLU A 54 -2.639 2.706 -1.946 1.00 0.00 O ATOM 767 OE2 GLU A 54 -4.477 3.057 -3.099 1.00 0.00 O ATOM 0 H GLU A 54 -0.373 3.203 -1.168 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.332 5.663 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.431 4.936 -0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.293 6.485 -1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.921 5.515 -2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.500 5.028 -3.716 1.00 0.00 H new ATOM 774 N TYR A 55 0.602 6.974 -0.853 1.00 0.00 N ATOM 775 CA TYR A 55 1.391 7.632 0.181 1.00 0.00 C ATOM 776 C TYR A 55 0.737 8.939 0.617 1.00 0.00 C ATOM 777 O TYR A 55 -0.311 9.326 0.099 1.00 0.00 O ATOM 778 CB TYR A 55 2.809 7.900 -0.323 1.00 0.00 C ATOM 779 CG TYR A 55 2.856 8.728 -1.586 1.00 0.00 C ATOM 780 CD1 TYR A 55 2.666 10.105 -1.545 1.00 0.00 C ATOM 781 CD2 TYR A 55 3.088 8.137 -2.821 1.00 0.00 C ATOM 782 CE1 TYR A 55 2.707 10.866 -2.697 1.00 0.00 C ATOM 783 CE2 TYR A 55 3.134 8.890 -3.978 1.00 0.00 C ATOM 784 CZ TYR A 55 2.942 10.255 -3.911 1.00 0.00 C ATOM 785 OH TYR A 55 2.984 11.008 -5.062 1.00 0.00 O ATOM 0 H TYR A 55 0.417 7.552 -1.673 1.00 0.00 H new ATOM 0 HA TYR A 55 1.440 6.967 1.043 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.372 8.411 0.458 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.307 6.948 -0.504 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.483 10.588 -0.596 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.235 7.069 -2.878 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.556 11.934 -2.647 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.319 8.413 -4.929 1.00 0.00 H new ATOM 0 HH TYR A 55 3.160 10.424 -5.829 1.00 0.00 H new ATOM 795 N LYS A 56 1.365 9.618 1.570 1.00 0.00 N ATOM 796 CA LYS A 56 0.849 10.885 2.076 1.00 0.00 C ATOM 797 C LYS A 56 1.986 11.793 2.532 1.00 0.00 C ATOM 798 O LYS A 56 2.923 11.347 3.195 1.00 0.00 O ATOM 799 CB LYS A 56 -0.118 10.638 3.237 1.00 0.00 C ATOM 800 CG LYS A 56 -0.617 11.913 3.893 1.00 0.00 C ATOM 801 CD LYS A 56 -1.772 11.636 4.841 1.00 0.00 C ATOM 802 CE LYS A 56 -1.277 11.160 6.198 1.00 0.00 C ATOM 803 NZ LYS A 56 -0.904 12.297 7.084 1.00 0.00 N ATOM 0 H LYS A 56 2.234 9.312 2.009 1.00 0.00 H new ATOM 0 HA LYS A 56 0.315 11.381 1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.973 10.068 2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.378 10.023 3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.199 12.385 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.936 12.618 3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.366 12.541 4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.428 10.882 4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.053 10.565 6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.414 10.508 6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.387 11.937 7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.300 12.962 6.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.765 12.787 7.400 1.00 0.00 H new ATOM 817 N LYS A 57 1.897 13.069 2.174 1.00 0.00 N ATOM 818 CA LYS A 57 2.917 14.042 2.548 1.00 0.00 C ATOM 819 C LYS A 57 2.660 14.587 3.949 1.00 0.00 C ATOM 820 O LYS A 57 1.615 15.184 4.212 1.00 0.00 O ATOM 821 CB LYS A 57 2.949 15.192 1.540 1.00 0.00 C ATOM 822 CG LYS A 57 3.856 14.933 0.349 1.00 0.00 C ATOM 823 CD LYS A 57 3.701 16.007 -0.715 1.00 0.00 C ATOM 824 CE LYS A 57 4.034 15.472 -2.100 1.00 0.00 C ATOM 825 NZ LYS A 57 5.504 15.370 -2.316 1.00 0.00 N ATOM 0 H LYS A 57 1.129 13.454 1.625 1.00 0.00 H new ATOM 0 HA LYS A 57 3.883 13.538 2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.937 15.378 1.181 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.279 16.099 2.047 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.893 14.897 0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.625 13.958 -0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.679 16.385 -0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.354 16.848 -0.482 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.579 14.490 -2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.600 16.126 -2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.690 15.002 -3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.935 16.311 -2.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.915 14.726 -1.610 1.00 0.00 H new ATOM 839 N LEU A 58 3.621 14.381 4.845 1.00 0.00 N ATOM 840 CA LEU A 58 3.499 14.853 6.220 1.00 0.00 C ATOM 841 C LEU A 58 4.071 16.260 6.365 1.00 0.00 C ATOM 842 O LEU A 58 3.337 17.221 6.590 1.00 0.00 O ATOM 843 CB LEU A 58 4.215 13.897 7.173 1.00 0.00 C ATOM 844 CG LEU A 58 3.944 12.407 6.961 1.00 0.00 C ATOM 845 CD1 LEU A 58 4.885 11.566 7.809 1.00 0.00 C ATOM 846 CD2 LEU A 58 2.494 12.078 7.283 1.00 0.00 C ATOM 0 H LEU A 58 4.492 13.891 4.643 1.00 0.00 H new ATOM 0 HA LEU A 58 2.440 14.884 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.288 14.066 7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.933 14.155 8.194 1.00 0.00 H new ATOM 0 HG LEU A 58 4.125 12.170 5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.677 10.509 7.644 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.916 11.780 7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.737 11.805 8.862 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.319 11.014 7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.286 12.331 8.323 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.837 12.653 6.631 1.00 0.00 H new ATOM 937 N TRP A 64 -3.792 11.935 0.611 1.00 0.00 N ATOM 938 CA TRP A 64 -3.113 10.742 0.118 1.00 0.00 C ATOM 939 C TRP A 64 -3.001 10.770 -1.403 1.00 0.00 C ATOM 940 O TRP A 64 -3.957 11.116 -2.097 1.00 0.00 O ATOM 941 CB TRP A 64 -3.858 9.484 0.565 1.00 0.00 C ATOM 942 CG TRP A 64 -3.692 9.181 2.023 1.00 0.00 C ATOM 943 CD1 TRP A 64 -4.457 9.654 3.050 1.00 0.00 C ATOM 944 CD2 TRP A 64 -2.697 8.340 2.616 1.00 0.00 C ATOM 945 NE1 TRP A 64 -3.998 9.158 4.246 1.00 0.00 N ATOM 946 CE2 TRP A 64 -2.919 8.348 4.007 1.00 0.00 C ATOM 947 CE3 TRP A 64 -1.640 7.579 2.107 1.00 0.00 C ATOM 948 CZ2 TRP A 64 -2.123 7.626 4.891 1.00 0.00 C ATOM 949 CZ3 TRP A 64 -0.852 6.863 2.987 1.00 0.00 C ATOM 950 CH2 TRP A 64 -1.096 6.889 4.366 1.00 0.00 C ATOM 0 HA TRP A 64 -2.107 10.727 0.538 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.919 9.601 0.344 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.503 8.634 -0.018 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.300 10.320 2.939 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.396 9.360 5.163 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.443 7.552 1.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.309 7.646 5.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.033 6.272 2.605 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -0.462 6.317 5.027 1.00 0.00 H new ATOM 961 N ILE A 65 -1.830 10.402 -1.913 1.00 0.00 N ATOM 962 CA ILE A 65 -1.597 10.383 -3.351 1.00 0.00 C ATOM 963 C ILE A 65 -1.352 8.963 -3.850 1.00 0.00 C ATOM 964 O ILE A 65 -0.998 8.073 -3.076 1.00 0.00 O ATOM 965 CB ILE A 65 -0.394 11.264 -3.737 1.00 0.00 C ATOM 966 CG1 ILE A 65 -0.348 12.516 -2.858 1.00 0.00 C ATOM 967 CG2 ILE A 65 -0.468 11.646 -5.208 1.00 0.00 C ATOM 968 CD1 ILE A 65 -1.502 13.464 -3.097 1.00 0.00 C ATOM 0 H ILE A 65 -1.029 10.113 -1.352 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.496 10.781 -3.822 1.00 0.00 H new ATOM 0 HB ILE A 65 0.521 10.695 -3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.347 12.215 -1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.589 13.043 -3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.389 12.269 -5.466 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.458 10.744 -5.819 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.388 12.200 -5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.405 14.328 -2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.492 13.794 -4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.442 12.953 -2.888 1.00 0.00 H new ATOM 980 N LEU A 66 -1.543 8.757 -5.149 1.00 0.00 N ATOM 981 CA LEU A 66 -1.341 7.444 -5.753 1.00 0.00 C ATOM 982 C LEU A 66 0.075 7.311 -6.305 1.00 0.00 C ATOM 983 O LEU A 66 0.518 8.131 -7.108 1.00 0.00 O ATOM 984 CB LEU A 66 -2.360 7.214 -6.870 1.00 0.00 C ATOM 985 CG LEU A 66 -2.265 5.873 -7.598 1.00 0.00 C ATOM 986 CD1 LEU A 66 -2.215 4.725 -6.601 1.00 0.00 C ATOM 987 CD2 LEU A 66 -3.438 5.700 -8.554 1.00 0.00 C ATOM 0 H LEU A 66 -1.837 9.482 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.482 6.689 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.360 7.305 -6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.251 8.012 -7.604 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.343 5.863 -8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.148 3.779 -7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.343 4.840 -5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.119 4.733 -5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.354 4.740 -9.063 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.372 5.733 -7.993 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.429 6.504 -9.290 1.00 0.00 H new ATOM 999 N ALA A 67 0.778 6.271 -5.870 1.00 0.00 N ATOM 1000 CA ALA A 67 2.142 6.026 -6.324 1.00 0.00 C ATOM 1001 C ALA A 67 2.163 5.065 -7.507 1.00 0.00 C ATOM 1002 O ALA A 67 2.465 5.456 -8.634 1.00 0.00 O ATOM 1003 CB ALA A 67 2.988 5.482 -5.183 1.00 0.00 C ATOM 0 H ALA A 67 0.426 5.584 -5.203 1.00 0.00 H new ATOM 0 HA ALA A 67 2.565 6.975 -6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.004 5.304 -5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.009 6.206 -4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.559 4.546 -4.826 1.00 0.00 H new ATOM 1009 N THR A 68 1.840 3.802 -7.243 1.00 0.00 N ATOM 1010 CA THR A 68 1.824 2.784 -8.285 1.00 0.00 C ATOM 1011 C THR A 68 0.534 1.972 -8.241 1.00 0.00 C ATOM 1012 O THR A 68 -0.276 2.125 -7.327 1.00 0.00 O ATOM 1013 CB THR A 68 3.024 1.827 -8.154 1.00 0.00 C ATOM 1014 OG1 THR A 68 3.218 1.113 -9.380 1.00 0.00 O ATOM 1015 CG2 THR A 68 2.807 0.839 -7.016 1.00 0.00 C ATOM 0 H THR A 68 1.586 3.461 -6.316 1.00 0.00 H new ATOM 0 HA THR A 68 1.888 3.307 -9.239 1.00 0.00 H new ATOM 0 HB THR A 68 3.911 2.421 -7.935 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.984 0.508 -9.289 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.667 0.174 -6.943 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.689 1.383 -6.079 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.910 0.252 -7.210 1.00 0.00 H new ATOM 1023 N SER A 69 0.350 1.108 -9.234 1.00 0.00 N ATOM 1024 CA SER A 69 -0.845 0.274 -9.310 1.00 0.00 C ATOM 1025 C SER A 69 -0.690 -0.798 -10.384 1.00 0.00 C ATOM 1026 O SER A 69 0.314 -0.842 -11.094 1.00 0.00 O ATOM 1027 CB SER A 69 -2.075 1.134 -9.604 1.00 0.00 C ATOM 1028 OG SER A 69 -3.146 0.343 -10.090 1.00 0.00 O ATOM 0 H SER A 69 1.012 0.967 -9.997 1.00 0.00 H new ATOM 0 HA SER A 69 -0.978 -0.218 -8.346 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.385 1.653 -8.697 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.821 1.899 -10.338 1.00 0.00 H new ATOM 0 HG SER A 69 -3.921 0.916 -10.269 1.00 0.00 H new ATOM 1034 N ALA A 70 -1.695 -1.662 -10.497 1.00 0.00 N ATOM 1035 CA ALA A 70 -1.672 -2.734 -11.485 1.00 0.00 C ATOM 1036 C ALA A 70 -0.630 -3.787 -11.128 1.00 0.00 C ATOM 1037 O ALA A 70 -0.081 -4.453 -12.008 1.00 0.00 O ATOM 1038 CB ALA A 70 -1.402 -2.168 -12.871 1.00 0.00 C ATOM 0 H ALA A 70 -2.534 -1.640 -9.917 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.650 -3.215 -11.486 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.388 -2.979 -13.599 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.187 -1.459 -13.134 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.438 -1.660 -12.875 1.00 0.00 H new ATOM 1044 N ILE A 71 -0.362 -3.934 -9.836 1.00 0.00 N ATOM 1045 CA ILE A 71 0.615 -4.908 -9.364 1.00 0.00 C ATOM 1046 C ILE A 71 0.015 -6.309 -9.313 1.00 0.00 C ATOM 1047 O ILE A 71 -1.123 -6.509 -8.890 1.00 0.00 O ATOM 1048 CB ILE A 71 1.149 -4.540 -7.967 1.00 0.00 C ATOM 1049 CG1 ILE A 71 1.771 -3.143 -7.987 1.00 0.00 C ATOM 1050 CG2 ILE A 71 2.164 -5.571 -7.500 1.00 0.00 C ATOM 1051 CD1 ILE A 71 2.193 -2.650 -6.621 1.00 0.00 C ATOM 0 H ILE A 71 -0.808 -3.391 -9.096 1.00 0.00 H new ATOM 0 HA ILE A 71 1.441 -4.894 -10.075 1.00 0.00 H new ATOM 0 HB ILE A 71 0.315 -4.536 -7.265 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.639 -3.150 -8.646 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.054 -2.441 -8.412 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.532 -5.297 -6.511 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.691 -6.552 -7.452 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.998 -5.604 -8.201 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.625 -1.654 -6.711 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.324 -2.610 -5.964 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.934 -3.330 -6.202 1.00 0.00 H new ATOM 1063 N PRO A 72 0.797 -7.305 -9.755 1.00 0.00 N ATOM 1064 CA PRO A 72 0.366 -8.705 -9.768 1.00 0.00 C ATOM 1065 C PRO A 72 0.247 -9.289 -8.364 1.00 0.00 C ATOM 1066 O PRO A 72 0.850 -8.798 -7.410 1.00 0.00 O ATOM 1067 CB PRO A 72 1.476 -9.412 -10.549 1.00 0.00 C ATOM 1068 CG PRO A 72 2.678 -8.551 -10.362 1.00 0.00 C ATOM 1069 CD PRO A 72 2.166 -7.140 -10.274 1.00 0.00 C ATOM 0 HA PRO A 72 -0.624 -8.822 -10.209 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.648 -10.419 -10.169 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.218 -9.509 -11.604 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.219 -8.827 -9.457 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.372 -8.663 -11.195 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.778 -6.531 -9.608 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.170 -6.650 -11.247 1.00 0.00 H new ATOM 1077 N PRO A 73 -0.548 -10.362 -8.233 1.00 0.00 N ATOM 1078 CA PRO A 73 -0.763 -11.036 -6.949 1.00 0.00 C ATOM 1079 C PRO A 73 0.482 -11.776 -6.467 1.00 0.00 C ATOM 1080 O PRO A 73 0.630 -12.049 -5.276 1.00 0.00 O ATOM 1081 CB PRO A 73 -1.890 -12.026 -7.252 1.00 0.00 C ATOM 1082 CG PRO A 73 -1.783 -12.283 -8.716 1.00 0.00 C ATOM 1083 CD PRO A 73 -1.296 -11.000 -9.328 1.00 0.00 C ATOM 0 HA PRO A 73 -1.000 -10.330 -6.153 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.774 -12.946 -6.679 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.863 -11.610 -6.993 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.090 -13.100 -8.919 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.748 -12.572 -9.133 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.661 -11.184 -10.195 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.124 -10.376 -9.666 1.00 0.00 H new ATOM 1091 N SER A 74 1.372 -12.096 -7.401 1.00 0.00 N ATOM 1092 CA SER A 74 2.601 -12.807 -7.071 1.00 0.00 C ATOM 1093 C SER A 74 3.665 -11.844 -6.552 1.00 0.00 C ATOM 1094 O SER A 74 4.664 -12.262 -5.968 1.00 0.00 O ATOM 1095 CB SER A 74 3.128 -13.554 -8.299 1.00 0.00 C ATOM 1096 OG SER A 74 2.222 -14.561 -8.711 1.00 0.00 O ATOM 0 H SER A 74 1.265 -11.874 -8.391 1.00 0.00 H new ATOM 0 HA SER A 74 2.375 -13.527 -6.285 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.290 -12.850 -9.115 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.095 -14.002 -8.069 1.00 0.00 H new ATOM 0 HG SER A 74 2.581 -15.022 -9.498 1.00 0.00 H new ATOM 1102 N ARG A 75 3.441 -10.553 -6.771 1.00 0.00 N ATOM 1103 CA ARG A 75 4.379 -9.529 -6.328 1.00 0.00 C ATOM 1104 C ARG A 75 3.881 -8.850 -5.055 1.00 0.00 C ATOM 1105 O ARG A 75 2.929 -8.070 -5.086 1.00 0.00 O ATOM 1106 CB ARG A 75 4.585 -8.484 -7.427 1.00 0.00 C ATOM 1107 CG ARG A 75 5.557 -7.381 -7.044 1.00 0.00 C ATOM 1108 CD ARG A 75 6.267 -6.816 -8.264 1.00 0.00 C ATOM 1109 NE ARG A 75 7.594 -6.300 -7.935 1.00 0.00 N ATOM 1110 CZ ARG A 75 8.492 -5.946 -8.847 1.00 0.00 C ATOM 1111 NH1 ARG A 75 8.207 -6.050 -10.138 1.00 0.00 N ATOM 1112 NH2 ARG A 75 9.677 -5.485 -8.469 1.00 0.00 N ATOM 0 H ARG A 75 2.618 -10.191 -7.253 1.00 0.00 H new ATOM 0 HA ARG A 75 5.331 -10.014 -6.114 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.949 -8.981 -8.326 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.623 -8.038 -7.677 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.020 -6.583 -6.532 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.293 -7.771 -6.341 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.358 -7.593 -9.023 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.664 -6.017 -8.697 1.00 0.00 H new ATOM 0 HE ARG A 75 7.844 -6.207 -6.951 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.296 -6.403 -10.432 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.899 -5.777 -10.837 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.899 -5.402 -7.477 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.366 -5.213 -9.170 1.00 0.00 H new ATOM 1126 N LEU A 76 4.531 -9.153 -3.937 1.00 0.00 N ATOM 1127 CA LEU A 76 4.155 -8.573 -2.652 1.00 0.00 C ATOM 1128 C LEU A 76 5.135 -7.479 -2.241 1.00 0.00 C ATOM 1129 O LEU A 76 5.116 -7.010 -1.102 1.00 0.00 O ATOM 1130 CB LEU A 76 4.104 -9.659 -1.575 1.00 0.00 C ATOM 1131 CG LEU A 76 3.237 -10.878 -1.893 1.00 0.00 C ATOM 1132 CD1 LEU A 76 3.193 -11.825 -0.703 1.00 0.00 C ATOM 1133 CD2 LEU A 76 1.833 -10.446 -2.285 1.00 0.00 C ATOM 0 H LEU A 76 5.321 -9.797 -3.894 1.00 0.00 H new ATOM 0 HA LEU A 76 3.166 -8.128 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.121 -10.001 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.740 -9.210 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 76 3.681 -11.407 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.572 -12.687 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.203 -12.161 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.773 -11.307 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.230 -11.326 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.379 -9.894 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.882 -9.807 -3.167 1.00 0.00 H new ATOM 1145 N SER A 77 5.988 -7.074 -3.176 1.00 0.00 N ATOM 1146 CA SER A 77 6.976 -6.036 -2.909 1.00 0.00 C ATOM 1147 C SER A 77 7.352 -5.303 -4.194 1.00 0.00 C ATOM 1148 O SER A 77 7.631 -5.925 -5.219 1.00 0.00 O ATOM 1149 CB SER A 77 8.227 -6.644 -2.271 1.00 0.00 C ATOM 1150 OG SER A 77 9.375 -5.860 -2.551 1.00 0.00 O ATOM 0 H SER A 77 6.015 -7.449 -4.124 1.00 0.00 H new ATOM 0 HA SER A 77 6.536 -5.319 -2.216 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.089 -6.720 -1.192 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.374 -7.657 -2.645 1.00 0.00 H new ATOM 0 HG SER A 77 9.752 -5.521 -1.712 1.00 0.00 H new ATOM 1156 N VAL A 78 7.358 -3.974 -4.130 1.00 0.00 N ATOM 1157 CA VAL A 78 7.701 -3.155 -5.286 1.00 0.00 C ATOM 1158 C VAL A 78 8.433 -1.886 -4.862 1.00 0.00 C ATOM 1159 O VAL A 78 8.438 -1.524 -3.687 1.00 0.00 O ATOM 1160 CB VAL A 78 6.446 -2.766 -6.090 1.00 0.00 C ATOM 1161 CG1 VAL A 78 5.502 -3.952 -6.214 1.00 0.00 C ATOM 1162 CG2 VAL A 78 5.745 -1.582 -5.443 1.00 0.00 C ATOM 0 H VAL A 78 7.129 -3.443 -3.290 1.00 0.00 H new ATOM 0 HA VAL A 78 8.356 -3.756 -5.917 1.00 0.00 H new ATOM 0 HB VAL A 78 6.755 -2.472 -7.093 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.621 -3.658 -6.785 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.010 -4.769 -6.726 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.197 -4.280 -5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.861 -1.321 -6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.447 -1.846 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.424 -0.730 -5.412 1.00 0.00 H new ATOM 1172 N GLU A 79 9.051 -1.215 -5.830 1.00 0.00 N ATOM 1173 CA GLU A 79 9.788 0.013 -5.556 1.00 0.00 C ATOM 1174 C GLU A 79 8.979 1.236 -5.977 1.00 0.00 C ATOM 1175 O GLU A 79 8.794 1.492 -7.168 1.00 0.00 O ATOM 1176 CB GLU A 79 11.133 0.000 -6.286 1.00 0.00 C ATOM 1177 CG GLU A 79 12.009 1.200 -5.966 1.00 0.00 C ATOM 1178 CD GLU A 79 13.273 1.239 -6.804 1.00 0.00 C ATOM 1179 OE1 GLU A 79 14.164 0.396 -6.571 1.00 0.00 O ATOM 1180 OE2 GLU A 79 13.370 2.112 -7.692 1.00 0.00 O ATOM 0 H GLU A 79 9.056 -1.501 -6.809 1.00 0.00 H new ATOM 0 HA GLU A 79 9.967 0.069 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.670 -0.912 -6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.954 -0.032 -7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.440 2.115 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.278 1.178 -4.910 1.00 0.00 H new ATOM 1187 N ILE A 80 8.500 1.989 -4.992 1.00 0.00 N ATOM 1188 CA ILE A 80 7.712 3.186 -5.261 1.00 0.00 C ATOM 1189 C ILE A 80 8.607 4.359 -5.645 1.00 0.00 C ATOM 1190 O ILE A 80 9.245 4.975 -4.790 1.00 0.00 O ATOM 1191 CB ILE A 80 6.859 3.583 -4.041 1.00 0.00 C ATOM 1192 CG1 ILE A 80 6.031 2.390 -3.560 1.00 0.00 C ATOM 1193 CG2 ILE A 80 5.956 4.757 -4.386 1.00 0.00 C ATOM 1194 CD1 ILE A 80 4.889 2.034 -4.487 1.00 0.00 C ATOM 0 H ILE A 80 8.644 1.792 -4.002 1.00 0.00 H new ATOM 0 HA ILE A 80 7.051 2.949 -6.095 1.00 0.00 H new ATOM 0 HB ILE A 80 7.525 3.887 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.684 1.524 -3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.630 2.611 -2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.360 5.026 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.566 5.609 -4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.294 4.478 -5.206 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.346 1.180 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.213 2.885 -4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.284 1.781 -5.471 1.00 0.00 H new ATOM 1206 N THR A 81 8.649 4.666 -6.937 1.00 0.00 N ATOM 1207 CA THR A 81 9.466 5.765 -7.436 1.00 0.00 C ATOM 1208 C THR A 81 8.610 6.988 -7.746 1.00 0.00 C ATOM 1209 O THR A 81 7.383 6.906 -7.783 1.00 0.00 O ATOM 1210 CB THR A 81 10.240 5.360 -8.704 1.00 0.00 C ATOM 1211 OG1 THR A 81 9.336 5.216 -9.805 1.00 0.00 O ATOM 1212 CG2 THR A 81 10.993 4.056 -8.485 1.00 0.00 C ATOM 0 H THR A 81 8.126 4.169 -7.658 1.00 0.00 H new ATOM 0 HA THR A 81 10.178 6.012 -6.649 1.00 0.00 H new ATOM 0 HB THR A 81 10.962 6.145 -8.928 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.836 4.960 -10.608 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.532 3.790 -9.394 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.701 4.178 -7.666 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.286 3.264 -8.238 1.00 0.00 H new ATOM 1220 N GLY A 82 9.267 8.123 -7.969 1.00 0.00 N ATOM 1221 CA GLY A 82 8.549 9.347 -8.274 1.00 0.00 C ATOM 1222 C GLY A 82 8.174 10.125 -7.027 1.00 0.00 C ATOM 1223 O GLY A 82 7.102 10.726 -6.961 1.00 0.00 O ATOM 0 H GLY A 82 10.282 8.216 -7.944 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.164 9.975 -8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.645 9.105 -8.833 1.00 0.00 H new ATOM 1227 N LEU A 83 9.058 10.112 -6.035 1.00 0.00 N ATOM 1228 CA LEU A 83 8.814 10.820 -4.784 1.00 0.00 C ATOM 1229 C LEU A 83 9.623 12.111 -4.722 1.00 0.00 C ATOM 1230 O LEU A 83 10.346 12.448 -5.660 1.00 0.00 O ATOM 1231 CB LEU A 83 9.165 9.928 -3.593 1.00 0.00 C ATOM 1232 CG LEU A 83 8.758 8.458 -3.711 1.00 0.00 C ATOM 1233 CD1 LEU A 83 9.461 7.622 -2.655 1.00 0.00 C ATOM 1234 CD2 LEU A 83 7.247 8.312 -3.592 1.00 0.00 C ATOM 0 H LEU A 83 9.950 9.619 -6.073 1.00 0.00 H new ATOM 0 HA LEU A 83 7.755 11.074 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.243 9.974 -3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.694 10.344 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 83 9.062 8.095 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.158 6.580 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.540 7.701 -2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.190 7.985 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.975 7.260 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.920 8.693 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.763 8.878 -4.388 1.00 0.00 H new ATOM 1246 N GLU A 84 9.497 12.830 -3.611 1.00 0.00 N ATOM 1247 CA GLU A 84 10.218 14.084 -3.427 1.00 0.00 C ATOM 1248 C GLU A 84 11.161 13.999 -2.229 1.00 0.00 C ATOM 1249 O GLU A 84 10.748 13.648 -1.124 1.00 0.00 O ATOM 1250 CB GLU A 84 9.235 15.241 -3.235 1.00 0.00 C ATOM 1251 CG GLU A 84 8.845 15.930 -4.532 1.00 0.00 C ATOM 1252 CD GLU A 84 9.764 17.087 -4.875 1.00 0.00 C ATOM 1253 OE1 GLU A 84 10.167 17.820 -3.948 1.00 0.00 O ATOM 1254 OE2 GLU A 84 10.078 17.260 -6.071 1.00 0.00 O ATOM 0 H GLU A 84 8.903 12.566 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 84 10.811 14.266 -4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.335 14.865 -2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.678 15.975 -2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.862 15.204 -5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.821 16.295 -4.452 1.00 0.00 H new ATOM 1261 N LYS A 85 12.428 14.323 -2.458 1.00 0.00 N ATOM 1262 CA LYS A 85 13.431 14.285 -1.400 1.00 0.00 C ATOM 1263 C LYS A 85 13.161 15.362 -0.355 1.00 0.00 C ATOM 1264 O LYS A 85 12.552 16.389 -0.652 1.00 0.00 O ATOM 1265 CB LYS A 85 14.831 14.471 -1.989 1.00 0.00 C ATOM 1266 CG LYS A 85 15.509 13.166 -2.371 1.00 0.00 C ATOM 1267 CD LYS A 85 16.438 13.348 -3.559 1.00 0.00 C ATOM 1268 CE LYS A 85 15.661 13.494 -4.859 1.00 0.00 C ATOM 1269 NZ LYS A 85 16.546 13.375 -6.050 1.00 0.00 N ATOM 0 H LYS A 85 12.786 14.615 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 85 13.374 13.311 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.763 15.107 -2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.454 14.996 -1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.075 12.786 -1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.753 12.418 -2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.059 14.230 -3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.111 12.493 -3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.885 12.730 -4.906 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.158 14.461 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.037 12.886 -6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.824 14.324 -6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.396 12.832 -5.798 1.00 0.00 H new ATOM 1283 N GLY A 86 13.617 15.120 0.870 1.00 0.00 N ATOM 1284 CA GLY A 86 13.416 16.080 1.940 1.00 0.00 C ATOM 1285 C GLY A 86 11.961 16.198 2.346 1.00 0.00 C ATOM 1286 O GLY A 86 11.585 17.116 3.075 1.00 0.00 O ATOM 0 H GLY A 86 14.122 14.276 1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.009 15.784 2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.782 17.056 1.622 1.00 0.00 H new ATOM 1290 N ILE A 87 11.138 15.269 1.871 1.00 0.00 N ATOM 1291 CA ILE A 87 9.716 15.273 2.189 1.00 0.00 C ATOM 1292 C ILE A 87 9.285 13.946 2.805 1.00 0.00 C ATOM 1293 O ILE A 87 9.287 12.911 2.138 1.00 0.00 O ATOM 1294 CB ILE A 87 8.860 15.547 0.939 1.00 0.00 C ATOM 1295 CG1 ILE A 87 9.195 16.923 0.357 1.00 0.00 C ATOM 1296 CG2 ILE A 87 7.381 15.456 1.278 1.00 0.00 C ATOM 1297 CD1 ILE A 87 8.688 18.074 1.198 1.00 0.00 C ATOM 0 H ILE A 87 11.432 14.504 1.264 1.00 0.00 H new ATOM 0 HA ILE A 87 9.558 16.074 2.911 1.00 0.00 H new ATOM 0 HB ILE A 87 9.087 14.790 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 87 10.276 17.010 0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.769 16.999 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.790 15.652 0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.154 14.457 1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.137 16.193 2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.961 19.018 0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.603 18.012 1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.134 18.023 2.191 1.00 0.00 H new ATOM 1309 N SER A 88 8.914 13.984 4.081 1.00 0.00 N ATOM 1310 CA SER A 88 8.483 12.784 4.787 1.00 0.00 C ATOM 1311 C SER A 88 7.083 12.367 4.345 1.00 0.00 C ATOM 1312 O SER A 88 6.215 13.210 4.115 1.00 0.00 O ATOM 1313 CB SER A 88 8.503 13.021 6.299 1.00 0.00 C ATOM 1314 OG SER A 88 9.483 13.983 6.650 1.00 0.00 O ATOM 0 H SER A 88 8.903 14.833 4.646 1.00 0.00 H new ATOM 0 HA SER A 88 9.177 11.980 4.543 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.521 13.359 6.631 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.708 12.083 6.815 1.00 0.00 H new ATOM 0 HG SER A 88 9.475 14.119 7.621 1.00 0.00 H new ATOM 1320 N TYR A 89 6.872 11.061 4.228 1.00 0.00 N ATOM 1321 CA TYR A 89 5.578 10.530 3.812 1.00 0.00 C ATOM 1322 C TYR A 89 5.449 9.057 4.182 1.00 0.00 C ATOM 1323 O TYR A 89 6.442 8.384 4.462 1.00 0.00 O ATOM 1324 CB TYR A 89 5.394 10.706 2.303 1.00 0.00 C ATOM 1325 CG TYR A 89 6.696 10.796 1.540 1.00 0.00 C ATOM 1326 CD1 TYR A 89 7.698 9.849 1.724 1.00 0.00 C ATOM 1327 CD2 TYR A 89 6.926 11.826 0.637 1.00 0.00 C ATOM 1328 CE1 TYR A 89 8.889 9.927 1.029 1.00 0.00 C ATOM 1329 CE2 TYR A 89 8.114 11.911 -0.063 1.00 0.00 C ATOM 1330 CZ TYR A 89 9.093 10.959 0.137 1.00 0.00 C ATOM 1331 OH TYR A 89 10.279 11.041 -0.557 1.00 0.00 O ATOM 0 H TYR A 89 7.579 10.350 4.415 1.00 0.00 H new ATOM 0 HA TYR A 89 4.800 11.086 4.335 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.813 9.869 1.916 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.812 11.609 2.119 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.542 9.039 2.422 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.163 12.574 0.479 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.657 9.183 1.183 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.276 12.718 -0.763 1.00 0.00 H new ATOM 0 HH TYR A 89 10.458 11.976 -0.790 1.00 0.00 H new ATOM 1341 N LYS A 90 4.217 8.559 4.183 1.00 0.00 N ATOM 1342 CA LYS A 90 3.954 7.165 4.518 1.00 0.00 C ATOM 1343 C LYS A 90 3.572 6.370 3.273 1.00 0.00 C ATOM 1344 O LYS A 90 3.591 6.893 2.159 1.00 0.00 O ATOM 1345 CB LYS A 90 2.837 7.071 5.559 1.00 0.00 C ATOM 1346 CG LYS A 90 2.963 8.087 6.680 1.00 0.00 C ATOM 1347 CD LYS A 90 2.266 7.612 7.944 1.00 0.00 C ATOM 1348 CE LYS A 90 2.924 8.183 9.191 1.00 0.00 C ATOM 1349 NZ LYS A 90 2.340 9.498 9.575 1.00 0.00 N ATOM 0 H LYS A 90 3.384 9.101 3.955 1.00 0.00 H new ATOM 0 HA LYS A 90 4.867 6.739 4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.877 7.208 5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.834 6.069 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.017 8.269 6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.533 9.037 6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.218 7.909 7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.288 6.523 7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.809 7.480 10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.994 8.298 9.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.103 10.195 9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.690 9.820 8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.819 9.398 10.469 1.00 0.00 H new ATOM 1363 N PHE A 91 3.225 5.102 3.470 1.00 0.00 N ATOM 1364 CA PHE A 91 2.838 4.235 2.364 1.00 0.00 C ATOM 1365 C PHE A 91 1.761 3.245 2.800 1.00 0.00 C ATOM 1366 O PHE A 91 1.688 2.866 3.969 1.00 0.00 O ATOM 1367 CB PHE A 91 4.057 3.478 1.831 1.00 0.00 C ATOM 1368 CG PHE A 91 5.142 4.379 1.314 1.00 0.00 C ATOM 1369 CD1 PHE A 91 6.043 4.969 2.186 1.00 0.00 C ATOM 1370 CD2 PHE A 91 5.263 4.633 -0.042 1.00 0.00 C ATOM 1371 CE1 PHE A 91 7.042 5.800 1.714 1.00 0.00 C ATOM 1372 CE2 PHE A 91 6.260 5.462 -0.520 1.00 0.00 C ATOM 1373 CZ PHE A 91 7.152 6.045 0.359 1.00 0.00 C ATOM 0 H PHE A 91 3.204 4.653 4.385 1.00 0.00 H new ATOM 0 HA PHE A 91 2.431 4.861 1.570 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.463 2.853 2.626 1.00 0.00 H new ATOM 0 HB3 PHE A 91 3.739 2.810 1.031 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.964 4.778 3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.570 4.178 -0.734 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.736 6.257 2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.342 5.654 -1.580 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.934 6.691 -0.012 1.00 0.00 H new ATOM 1383 N ARG A 92 0.927 2.830 1.851 1.00 0.00 N ATOM 1384 CA ARG A 92 -0.146 1.886 2.135 1.00 0.00 C ATOM 1385 C ARG A 92 -0.360 0.936 0.962 1.00 0.00 C ATOM 1386 O ARG A 92 0.287 1.061 -0.078 1.00 0.00 O ATOM 1387 CB ARG A 92 -1.444 2.636 2.443 1.00 0.00 C ATOM 1388 CG ARG A 92 -1.998 3.407 1.255 1.00 0.00 C ATOM 1389 CD ARG A 92 -3.504 3.588 1.363 1.00 0.00 C ATOM 1390 NE ARG A 92 -3.859 4.752 2.171 1.00 0.00 N ATOM 1391 CZ ARG A 92 -5.012 5.401 2.056 1.00 0.00 C ATOM 1392 NH1 ARG A 92 -5.917 5.002 1.172 1.00 0.00 N ATOM 1393 NH2 ARG A 92 -5.263 6.451 2.828 1.00 0.00 N ATOM 0 H ARG A 92 0.975 3.134 0.878 1.00 0.00 H new ATOM 0 HA ARG A 92 0.142 1.298 3.007 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.194 1.922 2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.267 3.330 3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.516 4.383 1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.759 2.878 0.333 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.929 3.696 0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.946 2.694 1.802 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.185 5.084 2.861 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.728 4.195 0.578 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.802 5.503 1.086 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.570 6.760 3.510 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.149 6.949 2.739 1.00 0.00 H new ATOM 1407 N VAL A 93 -1.272 -0.015 1.136 1.00 0.00 N ATOM 1408 CA VAL A 93 -1.572 -0.987 0.091 1.00 0.00 C ATOM 1409 C VAL A 93 -3.060 -1.318 0.059 1.00 0.00 C ATOM 1410 O VAL A 93 -3.698 -1.455 1.103 1.00 0.00 O ATOM 1411 CB VAL A 93 -0.773 -2.288 0.289 1.00 0.00 C ATOM 1412 CG1 VAL A 93 -1.119 -3.298 -0.794 1.00 0.00 C ATOM 1413 CG2 VAL A 93 0.721 -1.998 0.300 1.00 0.00 C ATOM 0 H VAL A 93 -1.816 -0.133 1.991 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.283 -0.532 -0.857 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.045 -2.718 1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.544 -4.211 -0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.184 -3.527 -0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.877 -2.881 -1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.271 -2.928 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.011 -1.545 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.953 -1.313 1.115 1.00 0.00 H new ATOM 1423 N ARG A 94 -3.607 -1.446 -1.146 1.00 0.00 N ATOM 1424 CA ARG A 94 -5.020 -1.760 -1.313 1.00 0.00 C ATOM 1425 C ARG A 94 -5.207 -2.933 -2.272 1.00 0.00 C ATOM 1426 O ARG A 94 -4.515 -3.034 -3.285 1.00 0.00 O ATOM 1427 CB ARG A 94 -5.779 -0.537 -1.832 1.00 0.00 C ATOM 1428 CG ARG A 94 -6.185 0.437 -0.739 1.00 0.00 C ATOM 1429 CD ARG A 94 -7.415 1.239 -1.135 1.00 0.00 C ATOM 1430 NE ARG A 94 -7.877 2.103 -0.052 1.00 0.00 N ATOM 1431 CZ ARG A 94 -8.589 3.207 -0.247 1.00 0.00 C ATOM 1432 NH1 ARG A 94 -8.920 3.579 -1.476 1.00 0.00 N ATOM 1433 NH2 ARG A 94 -8.972 3.942 0.790 1.00 0.00 N ATOM 0 H ARG A 94 -3.093 -1.337 -2.020 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.421 -2.041 -0.339 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.156 -0.015 -2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.673 -0.871 -2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.388 -0.111 0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.358 1.116 -0.530 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.185 1.846 -2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.216 0.557 -1.421 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.640 1.845 0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.628 3.017 -2.275 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.467 4.427 -1.622 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.719 3.659 1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.519 4.790 0.640 1.00 0.00 H new ATOM 1447 N ALA A 95 -6.144 -3.815 -1.945 1.00 0.00 N ATOM 1448 CA ALA A 95 -6.422 -4.979 -2.778 1.00 0.00 C ATOM 1449 C ALA A 95 -7.668 -4.760 -3.630 1.00 0.00 C ATOM 1450 O ALA A 95 -8.722 -4.380 -3.119 1.00 0.00 O ATOM 1451 CB ALA A 95 -6.583 -6.220 -1.914 1.00 0.00 C ATOM 0 H ALA A 95 -6.724 -3.746 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.576 -5.124 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.790 -7.081 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.665 -6.395 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.410 -6.075 -1.219 1.00 0.00 H new ATOM 1457 N LEU A 96 -7.539 -4.999 -4.930 1.00 0.00 N ATOM 1458 CA LEU A 96 -8.656 -4.827 -5.853 1.00 0.00 C ATOM 1459 C LEU A 96 -8.953 -6.126 -6.596 1.00 0.00 C ATOM 1460 O LEU A 96 -8.101 -6.657 -7.305 1.00 0.00 O ATOM 1461 CB LEU A 96 -8.348 -3.714 -6.855 1.00 0.00 C ATOM 1462 CG LEU A 96 -8.528 -2.283 -6.346 1.00 0.00 C ATOM 1463 CD1 LEU A 96 -7.396 -1.905 -5.403 1.00 0.00 C ATOM 1464 CD2 LEU A 96 -8.603 -1.307 -7.510 1.00 0.00 C ATOM 0 H LEU A 96 -6.673 -5.312 -5.369 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.536 -4.552 -5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.318 -3.831 -7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.987 -3.851 -7.727 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.466 -2.231 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.541 -0.884 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.390 -2.585 -4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.445 -1.975 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.731 -0.294 -7.128 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.682 -1.362 -8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.449 -1.564 -8.147 1.00 0.00 H new ATOM 1476 N ASN A 97 -10.171 -6.632 -6.428 1.00 0.00 N ATOM 1477 CA ASN A 97 -10.583 -7.869 -7.083 1.00 0.00 C ATOM 1478 C ASN A 97 -11.835 -7.647 -7.926 1.00 0.00 C ATOM 1479 O ASN A 97 -12.290 -6.516 -8.092 1.00 0.00 O ATOM 1480 CB ASN A 97 -10.841 -8.960 -6.043 1.00 0.00 C ATOM 1481 CG ASN A 97 -12.132 -8.736 -5.279 1.00 0.00 C ATOM 1482 OD1 ASN A 97 -12.724 -7.658 -5.341 1.00 0.00 O ATOM 1483 ND2 ASN A 97 -12.575 -9.756 -4.553 1.00 0.00 N ATOM 0 H ASN A 97 -10.890 -6.205 -5.844 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.775 -8.189 -7.741 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.879 -9.930 -6.539 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.008 -8.994 -5.341 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.438 -9.664 -4.018 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.052 -10.631 -4.531 1.00 0.00 H new ATOM 1490 N MET A 98 -12.385 -8.734 -8.456 1.00 0.00 N ATOM 1491 CA MET A 98 -13.586 -8.658 -9.280 1.00 0.00 C ATOM 1492 C MET A 98 -14.797 -8.264 -8.442 1.00 0.00 C ATOM 1493 O MET A 98 -15.912 -8.158 -8.954 1.00 0.00 O ATOM 1494 CB MET A 98 -13.843 -10.000 -9.969 1.00 0.00 C ATOM 1495 CG MET A 98 -13.937 -11.171 -9.003 1.00 0.00 C ATOM 1496 SD MET A 98 -14.119 -12.754 -9.847 1.00 0.00 S ATOM 1497 CE MET A 98 -15.897 -12.821 -10.059 1.00 0.00 C ATOM 0 H MET A 98 -12.019 -9.678 -8.330 1.00 0.00 H new ATOM 0 HA MET A 98 -13.427 -7.892 -10.039 1.00 0.00 H new ATOM 0 HB2 MET A 98 -14.770 -9.935 -10.539 1.00 0.00 H new ATOM 0 HB3 MET A 98 -13.042 -10.192 -10.683 1.00 0.00 H new ATOM 0 HG2 MET A 98 -13.043 -11.196 -8.380 1.00 0.00 H new ATOM 0 HG3 MET A 98 -14.786 -11.020 -8.336 1.00 0.00 H new ATOM 0 HE1 MET A 98 -16.211 -13.858 -10.177 1.00 0.00 H new ATOM 0 HE2 MET A 98 -16.384 -12.392 -9.184 1.00 0.00 H new ATOM 0 HE3 MET A 98 -16.179 -12.254 -10.946 1.00 0.00 H new ATOM 1507 N LEU A 99 -14.572 -8.048 -7.151 1.00 0.00 N ATOM 1508 CA LEU A 99 -15.646 -7.664 -6.241 1.00 0.00 C ATOM 1509 C LEU A 99 -15.509 -6.204 -5.822 1.00 0.00 C ATOM 1510 O LEU A 99 -16.495 -5.551 -5.481 1.00 0.00 O ATOM 1511 CB LEU A 99 -15.638 -8.564 -5.004 1.00 0.00 C ATOM 1512 CG LEU A 99 -15.688 -10.070 -5.269 1.00 0.00 C ATOM 1513 CD1 LEU A 99 -15.839 -10.836 -3.964 1.00 0.00 C ATOM 1514 CD2 LEU A 99 -16.827 -10.405 -6.220 1.00 0.00 C ATOM 0 H LEU A 99 -13.656 -8.132 -6.710 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.594 -7.785 -6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.739 -8.347 -4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -16.490 -8.297 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.750 -10.370 -5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -15.873 -11.905 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.991 -10.619 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -16.762 -10.533 -3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -16.848 -11.480 -6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -17.773 -10.091 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.677 -9.884 -7.165 1.00 0.00 H new ATOM 1526 N GLY A 100 -14.281 -5.697 -5.852 1.00 0.00 N ATOM 1527 CA GLY A 100 -14.038 -4.317 -5.475 1.00 0.00 C ATOM 1528 C GLY A 100 -12.672 -4.118 -4.849 1.00 0.00 C ATOM 1529 O GLY A 100 -11.819 -5.002 -4.914 1.00 0.00 O ATOM 0 H GLY A 100 -13.449 -6.218 -6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.126 -3.682 -6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.807 -3.995 -4.772 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.464 -2.954 -4.242 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.191 -2.641 -3.605 1.00 0.00 C ATOM 1535 C GLU A 101 -11.261 -2.886 -2.100 1.00 0.00 C ATOM 1536 O GLU A 101 -12.344 -2.905 -1.514 1.00 0.00 O ATOM 1537 CB GLU A 101 -10.801 -1.187 -3.877 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.709 -0.175 -3.200 1.00 0.00 C ATOM 1539 CD GLU A 101 -13.007 0.040 -3.954 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -12.959 0.599 -5.069 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -14.071 -0.352 -3.428 1.00 0.00 O ATOM 0 H GLU A 101 -13.161 -2.212 -4.178 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.432 -3.298 -4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.777 -1.026 -3.540 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.814 -1.012 -4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.933 -0.513 -2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.184 0.776 -3.110 1.00 0.00 H new ATOM 1548 N SER A 102 -10.100 -3.074 -1.482 1.00 0.00 N ATOM 1549 CA SER A 102 -10.029 -3.321 -0.047 1.00 0.00 C ATOM 1550 C SER A 102 -9.807 -2.020 0.720 1.00 0.00 C ATOM 1551 O SER A 102 -9.626 -0.961 0.122 1.00 0.00 O ATOM 1552 CB SER A 102 -8.904 -4.309 0.266 1.00 0.00 C ATOM 1553 OG SER A 102 -7.669 -3.637 0.445 1.00 0.00 O ATOM 0 H SER A 102 -9.195 -3.060 -1.953 1.00 0.00 H new ATOM 0 HA SER A 102 -10.980 -3.750 0.270 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.150 -4.871 1.167 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.814 -5.031 -0.545 1.00 0.00 H new ATOM 0 HG SER A 102 -7.611 -3.298 1.363 1.00 0.00 H new ATOM 1559 N GLU A 103 -9.823 -2.112 2.045 1.00 0.00 N ATOM 1560 CA GLU A 103 -9.623 -0.942 2.893 1.00 0.00 C ATOM 1561 C GLU A 103 -8.171 -0.475 2.844 1.00 0.00 C ATOM 1562 O GLU A 103 -7.260 -1.232 2.507 1.00 0.00 O ATOM 1563 CB GLU A 103 -10.020 -1.259 4.337 1.00 0.00 C ATOM 1564 CG GLU A 103 -11.484 -0.989 4.638 1.00 0.00 C ATOM 1565 CD GLU A 103 -11.880 -1.416 6.039 1.00 0.00 C ATOM 1566 OE1 GLU A 103 -11.562 -0.679 6.996 1.00 0.00 O ATOM 1567 OE2 GLU A 103 -12.508 -2.486 6.177 1.00 0.00 O ATOM 0 H GLU A 103 -9.972 -2.983 2.555 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.257 -0.139 2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.803 -2.307 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.403 -0.667 5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.686 0.075 4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.104 -1.516 3.913 1.00 0.00 H new ATOM 1574 N PRO A 104 -7.949 0.802 3.188 1.00 0.00 N ATOM 1575 CA PRO A 104 -6.611 1.400 3.190 1.00 0.00 C ATOM 1576 C PRO A 104 -5.730 0.843 4.305 1.00 0.00 C ATOM 1577 O PRO A 104 -5.875 1.218 5.469 1.00 0.00 O ATOM 1578 CB PRO A 104 -6.887 2.888 3.420 1.00 0.00 C ATOM 1579 CG PRO A 104 -8.196 2.925 4.130 1.00 0.00 C ATOM 1580 CD PRO A 104 -8.988 1.761 3.600 1.00 0.00 C ATOM 0 HA PRO A 104 -6.070 1.191 2.267 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.100 3.349 4.017 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.933 3.433 2.477 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.058 2.844 5.208 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.714 3.866 3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.644 1.340 4.362 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.620 2.053 2.762 1.00 0.00 H new ATOM 1588 N SER A 105 -4.817 -0.051 3.942 1.00 0.00 N ATOM 1589 CA SER A 105 -3.916 -0.661 4.912 1.00 0.00 C ATOM 1590 C SER A 105 -3.319 0.395 5.838 1.00 0.00 C ATOM 1591 O SER A 105 -3.216 1.566 5.476 1.00 0.00 O ATOM 1592 CB SER A 105 -2.796 -1.416 4.194 1.00 0.00 C ATOM 1593 OG SER A 105 -1.791 -0.527 3.738 1.00 0.00 O ATOM 0 H SER A 105 -4.681 -0.369 2.982 1.00 0.00 H new ATOM 0 HA SER A 105 -4.492 -1.364 5.514 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.357 -2.150 4.870 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.209 -1.967 3.349 1.00 0.00 H new ATOM 0 HG SER A 105 -1.036 -0.539 4.362 1.00 0.00 H new ATOM 1599 N ALA A 106 -2.930 -0.030 7.035 1.00 0.00 N ATOM 1600 CA ALA A 106 -2.342 0.878 8.013 1.00 0.00 C ATOM 1601 C ALA A 106 -1.266 1.751 7.376 1.00 0.00 C ATOM 1602 O ALA A 106 -0.515 1.313 6.504 1.00 0.00 O ATOM 1603 CB ALA A 106 -1.764 0.092 9.181 1.00 0.00 C ATOM 0 H ALA A 106 -3.011 -0.996 7.351 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.130 1.533 8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.328 0.782 9.904 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.556 -0.483 9.660 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -0.993 -0.587 8.817 1.00 0.00 H new ATOM 1609 N PRO A 107 -1.189 3.014 7.818 1.00 0.00 N ATOM 1610 CA PRO A 107 -0.209 3.975 7.304 1.00 0.00 C ATOM 1611 C PRO A 107 1.215 3.636 7.732 1.00 0.00 C ATOM 1612 O PRO A 107 1.663 4.038 8.804 1.00 0.00 O ATOM 1613 CB PRO A 107 -0.652 5.302 7.926 1.00 0.00 C ATOM 1614 CG PRO A 107 -1.385 4.914 9.164 1.00 0.00 C ATOM 1615 CD PRO A 107 -2.054 3.603 8.855 1.00 0.00 C ATOM 0 HA PRO A 107 -0.184 3.987 6.214 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.204 5.937 8.155 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.293 5.864 7.246 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.702 4.814 10.007 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -2.119 5.672 9.437 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.115 2.965 9.737 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.073 3.747 8.494 1.00 0.00 H new ATOM 1623 N SER A 108 1.920 2.892 6.886 1.00 0.00 N ATOM 1624 CA SER A 108 3.293 2.496 7.178 1.00 0.00 C ATOM 1625 C SER A 108 4.068 3.647 7.810 1.00 0.00 C ATOM 1626 O SER A 108 3.833 4.814 7.496 1.00 0.00 O ATOM 1627 CB SER A 108 3.995 2.032 5.900 1.00 0.00 C ATOM 1628 OG SER A 108 5.399 2.197 6.002 1.00 0.00 O ATOM 0 H SER A 108 1.563 2.551 5.993 1.00 0.00 H new ATOM 0 HA SER A 108 3.264 1.669 7.888 1.00 0.00 H new ATOM 0 HB2 SER A 108 3.761 0.984 5.713 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.620 2.599 5.048 1.00 0.00 H new ATOM 0 HG SER A 108 5.840 1.330 5.881 1.00 0.00 H new ATOM 1634 N ARG A 109 4.993 3.310 8.701 1.00 0.00 N ATOM 1635 CA ARG A 109 5.803 4.316 9.379 1.00 0.00 C ATOM 1636 C ARG A 109 6.304 5.366 8.391 1.00 0.00 C ATOM 1637 O ARG A 109 6.514 5.093 7.210 1.00 0.00 O ATOM 1638 CB ARG A 109 6.992 3.655 10.082 1.00 0.00 C ATOM 1639 CG ARG A 109 6.591 2.756 11.241 1.00 0.00 C ATOM 1640 CD ARG A 109 7.588 1.626 11.440 1.00 0.00 C ATOM 1641 NE ARG A 109 7.749 0.819 10.233 1.00 0.00 N ATOM 1642 CZ ARG A 109 8.487 -0.284 10.180 1.00 0.00 C ATOM 1643 NH1 ARG A 109 9.128 -0.709 11.259 1.00 0.00 N ATOM 1644 NH2 ARG A 109 8.584 -0.964 9.044 1.00 0.00 N ATOM 0 H ARG A 109 5.201 2.349 8.971 1.00 0.00 H new ATOM 0 HA ARG A 109 5.177 4.810 10.123 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.553 3.068 9.355 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.663 4.431 10.450 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.522 3.347 12.154 1.00 0.00 H new ATOM 0 HG3 ARG A 109 5.601 2.340 11.055 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.553 2.041 11.730 1.00 0.00 H new ATOM 0 HD3 ARG A 109 7.256 0.989 12.260 1.00 0.00 H new ATOM 0 HE ARG A 109 7.268 1.119 9.385 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.055 -0.189 12.133 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.694 -1.556 11.215 1.00 0.00 H new ATOM 0 HH21 ARG A 109 8.092 -0.639 8.212 1.00 0.00 H new ATOM 0 HH22 ARG A 109 9.151 -1.811 9.003 1.00 0.00 H new ATOM 1658 N PRO A 110 6.498 6.598 8.886 1.00 0.00 N ATOM 1659 CA PRO A 110 6.975 7.714 8.065 1.00 0.00 C ATOM 1660 C PRO A 110 8.432 7.546 7.648 1.00 0.00 C ATOM 1661 O PRO A 110 9.314 7.380 8.491 1.00 0.00 O ATOM 1662 CB PRO A 110 6.820 8.926 8.988 1.00 0.00 C ATOM 1663 CG PRO A 110 6.888 8.363 10.366 1.00 0.00 C ATOM 1664 CD PRO A 110 6.267 6.995 10.286 1.00 0.00 C ATOM 0 HA PRO A 110 6.420 7.798 7.131 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.611 9.656 8.819 1.00 0.00 H new ATOM 0 HB3 PRO A 110 5.873 9.437 8.815 1.00 0.00 H new ATOM 0 HG2 PRO A 110 7.920 8.304 10.713 1.00 0.00 H new ATOM 0 HG3 PRO A 110 6.350 8.995 11.073 1.00 0.00 H new ATOM 0 HD2 PRO A 110 6.734 6.300 10.983 1.00 0.00 H new ATOM 0 HD3 PRO A 110 5.204 7.021 10.526 1.00 0.00 H new ATOM 1672 N TYR A 111 8.677 7.590 6.343 1.00 0.00 N ATOM 1673 CA TYR A 111 10.027 7.439 5.813 1.00 0.00 C ATOM 1674 C TYR A 111 10.488 8.721 5.125 1.00 0.00 C ATOM 1675 O TYR A 111 9.865 9.184 4.170 1.00 0.00 O ATOM 1676 CB TYR A 111 10.086 6.269 4.830 1.00 0.00 C ATOM 1677 CG TYR A 111 11.477 5.980 4.314 1.00 0.00 C ATOM 1678 CD1 TYR A 111 12.330 5.126 5.002 1.00 0.00 C ATOM 1679 CD2 TYR A 111 11.939 6.562 3.140 1.00 0.00 C ATOM 1680 CE1 TYR A 111 13.603 4.860 4.535 1.00 0.00 C ATOM 1681 CE2 TYR A 111 13.209 6.299 2.664 1.00 0.00 C ATOM 1682 CZ TYR A 111 14.037 5.449 3.366 1.00 0.00 C ATOM 1683 OH TYR A 111 15.304 5.186 2.896 1.00 0.00 O ATOM 0 H TYR A 111 7.958 7.729 5.633 1.00 0.00 H new ATOM 0 HA TYR A 111 10.697 7.235 6.648 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.696 5.376 5.318 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.431 6.482 3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.992 4.662 5.917 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.294 7.232 2.590 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.254 4.195 5.082 1.00 0.00 H new ATOM 0 HE2 TYR A 111 13.551 6.756 1.747 1.00 0.00 H new ATOM 0 HH TYR A 111 15.452 5.679 2.062 1.00 0.00 H new ATOM 1693 N VAL A 112 11.585 9.287 5.618 1.00 0.00 N ATOM 1694 CA VAL A 112 12.132 10.514 5.050 1.00 0.00 C ATOM 1695 C VAL A 112 13.201 10.208 4.006 1.00 0.00 C ATOM 1696 O VAL A 112 14.310 9.793 4.340 1.00 0.00 O ATOM 1697 CB VAL A 112 12.740 11.415 6.141 1.00 0.00 C ATOM 1698 CG1 VAL A 112 13.279 12.701 5.533 1.00 0.00 C ATOM 1699 CG2 VAL A 112 11.709 11.716 7.218 1.00 0.00 C ATOM 0 H VAL A 112 12.112 8.916 6.409 1.00 0.00 H new ATOM 0 HA VAL A 112 11.303 11.039 4.575 1.00 0.00 H new ATOM 0 HB VAL A 112 13.572 10.884 6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.705 13.325 6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 112 14.051 12.462 4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.468 13.239 5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.155 12.354 7.981 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.856 12.227 6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.376 10.784 7.674 1.00 0.00 H new ATOM 1709 N VAL A 113 12.858 10.416 2.738 1.00 0.00 N ATOM 1710 CA VAL A 113 13.788 10.164 1.644 1.00 0.00 C ATOM 1711 C VAL A 113 14.884 11.223 1.599 1.00 0.00 C ATOM 1712 O VAL A 113 14.662 12.342 1.136 1.00 0.00 O ATOM 1713 CB VAL A 113 13.062 10.135 0.286 1.00 0.00 C ATOM 1714 CG1 VAL A 113 14.054 10.310 -0.854 1.00 0.00 C ATOM 1715 CG2 VAL A 113 12.279 8.840 0.128 1.00 0.00 C ATOM 0 H VAL A 113 11.943 10.758 2.444 1.00 0.00 H new ATOM 0 HA VAL A 113 14.237 9.188 1.829 1.00 0.00 H new ATOM 0 HB VAL A 113 12.357 10.966 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 113 13.523 10.287 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.566 11.266 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 113 14.785 9.502 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.772 8.837 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 113 12.963 7.993 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.540 8.762 0.926 1.00 0.00 H new ATOM 1725 N SER A 114 16.067 10.861 2.083 1.00 0.00 N ATOM 1726 CA SER A 114 17.199 11.782 2.101 1.00 0.00 C ATOM 1727 C SER A 114 18.034 11.643 0.832 1.00 0.00 C ATOM 1728 O SER A 114 18.194 12.597 0.072 1.00 0.00 O ATOM 1729 CB SER A 114 18.072 11.525 3.331 1.00 0.00 C ATOM 1730 OG SER A 114 18.930 12.624 3.586 1.00 0.00 O ATOM 0 H SER A 114 16.268 9.938 2.468 1.00 0.00 H new ATOM 0 HA SER A 114 16.808 12.798 2.147 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.438 11.345 4.199 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.666 10.624 3.178 1.00 0.00 H new ATOM 0 HG SER A 114 19.476 12.436 4.378 1.00 0.00 H new