USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 668 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 59 LYS NZ :NH3+ -122:sc= 0.0744 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.161 USER MOD Set 2.1: A 43 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 64 MET CE :methyl -152:sc= -0.0152 (180deg=-1.39) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -69:sc= 0.596 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.195 X(o=0.19,f=-0.0015) USER MOD Single : A 78 MET CE :methyl 167:sc= -0.188 (180deg=-0.531) USER MOD Single : A 80 GLN : amide:sc= 0.428 K(o=0.43,f=-2.1!) USER MOD Single : A 81 TYR OH : rot -159:sc= 0.482 USER MOD Single : A 84 ASN : amide:sc= -0.0575 X(o=-0.057,f=-0.057) USER MOD Single : A 86 HIS : no HD1:sc= -0.0901 X(o=-0.09,f=-0.52) USER MOD Single : A 91 LYS NZ :NH3+ -179:sc= 1.03 (180deg=1.03) USER MOD Single : A 93 LYS NZ :NH3+ 164:sc= 1.11 (180deg=0.898) USER MOD ----------------------------------------------------------------- ATOM 174 N LEU A 14 -2.224 15.138 -15.729 1.00 0.00 N ATOM 175 CA LEU A 14 -2.958 15.717 -16.857 1.00 0.00 C ATOM 176 C LEU A 14 -4.474 15.766 -16.584 1.00 0.00 C ATOM 177 O LEU A 14 -5.231 16.286 -17.407 1.00 0.00 O ATOM 178 CB LEU A 14 -2.629 14.895 -18.120 1.00 0.00 C ATOM 179 CG LEU A 14 -1.108 14.741 -18.387 1.00 0.00 C ATOM 180 CD1 LEU A 14 -0.694 13.266 -18.302 1.00 0.00 C ATOM 181 CD2 LEU A 14 -0.730 15.315 -19.759 1.00 0.00 C ATOM 0 HA LEU A 14 -2.647 16.751 -17.005 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.074 13.905 -18.024 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.094 15.371 -18.983 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.574 15.302 -17.620 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.376 13.177 -18.492 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.919 12.882 -17.307 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.244 12.690 -19.046 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.341 15.194 -19.921 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.277 14.785 -20.539 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.985 16.374 -19.793 1.00 0.00 H new ATOM 193 N LEU A 15 -4.916 15.220 -15.442 1.00 0.00 N ATOM 194 CA LEU A 15 -6.324 15.131 -15.044 1.00 0.00 C ATOM 195 C LEU A 15 -6.786 16.358 -14.243 1.00 0.00 C ATOM 196 O LEU A 15 -6.030 17.285 -13.949 1.00 0.00 O ATOM 197 CB LEU A 15 -6.580 13.832 -14.245 1.00 0.00 C ATOM 198 CG LEU A 15 -6.031 12.529 -14.861 1.00 0.00 C ATOM 199 CD1 LEU A 15 -6.456 11.338 -13.991 1.00 0.00 C ATOM 200 CD2 LEU A 15 -6.505 12.310 -16.305 1.00 0.00 C ATOM 0 H LEU A 15 -4.283 14.817 -14.751 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.915 15.108 -15.960 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.146 13.950 -13.252 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.656 13.720 -14.111 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.945 12.614 -14.891 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.070 10.415 -14.424 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.057 11.462 -12.984 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.544 11.290 -13.946 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.088 11.378 -16.687 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.593 12.256 -16.326 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.170 13.140 -16.928 1.00 0.00 H new ATOM 212 N SER A 16 -8.055 16.323 -13.854 1.00 0.00 N ATOM 213 CA SER A 16 -8.718 17.293 -12.991 1.00 0.00 C ATOM 214 C SER A 16 -8.647 16.880 -11.510 1.00 0.00 C ATOM 215 O SER A 16 -8.561 15.683 -11.212 1.00 0.00 O ATOM 216 CB SER A 16 -10.181 17.379 -13.437 1.00 0.00 C ATOM 217 OG SER A 16 -10.329 18.217 -14.574 1.00 0.00 O ATOM 0 H SER A 16 -8.684 15.576 -14.149 1.00 0.00 H new ATOM 0 HA SER A 16 -8.219 18.258 -13.078 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.551 16.380 -13.669 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.790 17.763 -12.619 1.00 0.00 H new ATOM 0 HG SER A 16 -11.273 18.250 -14.835 1.00 0.00 H new ATOM 223 N PRO A 17 -8.775 17.840 -10.572 1.00 0.00 N ATOM 224 CA PRO A 17 -8.772 17.579 -9.131 1.00 0.00 C ATOM 225 C PRO A 17 -9.924 16.668 -8.682 1.00 0.00 C ATOM 226 O PRO A 17 -9.812 16.005 -7.653 1.00 0.00 O ATOM 227 CB PRO A 17 -8.843 18.962 -8.473 1.00 0.00 C ATOM 228 CG PRO A 17 -9.553 19.824 -9.518 1.00 0.00 C ATOM 229 CD PRO A 17 -9.050 19.244 -10.835 1.00 0.00 C ATOM 0 HA PRO A 17 -7.876 17.032 -8.837 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -9.398 18.931 -7.535 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.850 19.348 -8.243 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -10.637 19.752 -9.432 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.295 20.878 -9.416 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.796 19.355 -11.621 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.152 19.762 -11.172 1.00 0.00 H new ATOM 237 N GLU A 18 -11.002 16.586 -9.469 1.00 0.00 N ATOM 238 CA GLU A 18 -12.142 15.702 -9.216 1.00 0.00 C ATOM 239 C GLU A 18 -11.854 14.243 -9.618 1.00 0.00 C ATOM 240 O GLU A 18 -12.344 13.322 -8.968 1.00 0.00 O ATOM 241 CB GLU A 18 -13.373 16.207 -9.993 1.00 0.00 C ATOM 242 CG GLU A 18 -13.750 17.673 -9.725 1.00 0.00 C ATOM 243 CD GLU A 18 -14.104 17.936 -8.251 1.00 0.00 C ATOM 244 OE1 GLU A 18 -15.135 17.412 -7.770 1.00 0.00 O ATOM 245 OE2 GLU A 18 -13.369 18.694 -7.574 1.00 0.00 O ATOM 0 H GLU A 18 -11.107 17.144 -10.316 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.332 15.720 -8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.187 16.084 -11.060 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.226 15.576 -9.744 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.919 18.316 -10.015 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.599 17.946 -10.352 1.00 0.00 H new ATOM 252 N GLU A 19 -11.044 14.016 -10.659 1.00 0.00 N ATOM 253 CA GLU A 19 -10.766 12.691 -11.239 1.00 0.00 C ATOM 254 C GLU A 19 -9.905 11.827 -10.310 1.00 0.00 C ATOM 255 O GLU A 19 -10.207 10.663 -10.042 1.00 0.00 O ATOM 256 CB GLU A 19 -10.002 12.874 -12.559 1.00 0.00 C ATOM 257 CG GLU A 19 -10.875 13.253 -13.757 1.00 0.00 C ATOM 258 CD GLU A 19 -11.856 12.136 -14.150 1.00 0.00 C ATOM 259 OE1 GLU A 19 -11.415 11.113 -14.723 1.00 0.00 O ATOM 260 OE2 GLU A 19 -13.077 12.287 -13.908 1.00 0.00 O ATOM 0 H GLU A 19 -10.548 14.769 -11.137 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.722 12.191 -11.393 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.245 13.646 -12.420 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.475 11.948 -12.789 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.436 14.158 -13.522 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.236 13.486 -14.608 1.00 0.00 H new ATOM 267 N LEU A 20 -8.822 12.427 -9.819 1.00 0.00 N ATOM 268 CA LEU A 20 -7.816 11.806 -8.952 1.00 0.00 C ATOM 269 C LEU A 20 -8.447 11.398 -7.618 1.00 0.00 C ATOM 270 O LEU A 20 -8.216 10.299 -7.113 1.00 0.00 O ATOM 271 CB LEU A 20 -6.681 12.819 -8.719 1.00 0.00 C ATOM 272 CG LEU A 20 -6.041 13.362 -10.019 1.00 0.00 C ATOM 273 CD1 LEU A 20 -5.740 14.851 -9.837 1.00 0.00 C ATOM 274 CD2 LEU A 20 -4.789 12.566 -10.403 1.00 0.00 C ATOM 0 H LEU A 20 -8.610 13.404 -10.023 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.419 10.909 -9.427 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.070 13.657 -8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.906 12.347 -8.115 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.741 13.242 -10.846 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.288 15.245 -10.747 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.666 15.387 -9.630 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.050 14.984 -9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.365 12.974 -11.321 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.054 12.635 -9.601 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.056 11.521 -10.561 1.00 0.00 H new ATOM 286 N LYS A 21 -9.302 12.274 -7.083 1.00 0.00 N ATOM 287 CA LYS A 21 -10.163 11.970 -5.933 1.00 0.00 C ATOM 288 C LYS A 21 -11.193 10.869 -6.258 1.00 0.00 C ATOM 289 O LYS A 21 -11.318 9.914 -5.486 1.00 0.00 O ATOM 290 CB LYS A 21 -10.836 13.264 -5.435 1.00 0.00 C ATOM 291 CG LYS A 21 -10.012 14.051 -4.397 1.00 0.00 C ATOM 292 CD LYS A 21 -8.560 14.353 -4.809 1.00 0.00 C ATOM 293 CE LYS A 21 -7.896 15.401 -3.902 1.00 0.00 C ATOM 294 NZ LYS A 21 -7.693 14.915 -2.510 1.00 0.00 N ATOM 0 H LYS A 21 -9.418 13.223 -7.438 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.543 11.572 -5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.032 13.910 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.802 13.012 -4.998 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.519 14.994 -4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.999 13.488 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.978 13.432 -4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.545 14.707 -5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.933 15.684 -4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.512 16.300 -3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.242 15.662 -1.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.612 14.670 -2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.082 14.073 -2.522 1.00 0.00 H new ATOM 308 N ALA A 22 -11.888 10.938 -7.399 1.00 0.00 N ATOM 309 CA ALA A 22 -12.929 9.970 -7.778 1.00 0.00 C ATOM 310 C ALA A 22 -12.401 8.539 -7.989 1.00 0.00 C ATOM 311 O ALA A 22 -13.129 7.583 -7.717 1.00 0.00 O ATOM 312 CB ALA A 22 -13.676 10.476 -9.019 1.00 0.00 C ATOM 0 H ALA A 22 -11.744 11.672 -8.092 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.618 9.899 -6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.447 9.757 -9.298 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.139 11.438 -8.798 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.973 10.593 -9.844 1.00 0.00 H new ATOM 391 N GLU A 29 -12.848 2.164 -0.509 1.00 0.00 N ATOM 392 CA GLU A 29 -11.984 1.099 0.010 1.00 0.00 C ATOM 393 C GLU A 29 -10.499 1.396 -0.237 1.00 0.00 C ATOM 394 O GLU A 29 -10.153 2.438 -0.788 1.00 0.00 O ATOM 395 CB GLU A 29 -12.379 -0.233 -0.647 1.00 0.00 C ATOM 396 CG GLU A 29 -12.803 -1.294 0.380 1.00 0.00 C ATOM 397 CD GLU A 29 -14.028 -0.861 1.206 1.00 0.00 C ATOM 398 OE1 GLU A 29 -15.131 -0.709 0.631 1.00 0.00 O ATOM 399 OE2 GLU A 29 -13.894 -0.688 2.439 1.00 0.00 O ATOM 0 HA GLU A 29 -12.123 1.038 1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.198 -0.061 -1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.538 -0.611 -1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.030 -2.226 -0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.969 -1.497 1.052 1.00 0.00 H new ATOM 406 N TYR A 30 -9.625 0.460 0.149 1.00 0.00 N ATOM 407 CA TYR A 30 -8.168 0.522 -0.007 1.00 0.00 C ATOM 408 C TYR A 30 -7.490 -0.801 0.372 1.00 0.00 C ATOM 409 O TYR A 30 -7.985 -1.564 1.207 1.00 0.00 O ATOM 410 CB TYR A 30 -7.568 1.656 0.836 1.00 0.00 C ATOM 411 CG TYR A 30 -7.661 1.400 2.327 1.00 0.00 C ATOM 412 CD1 TYR A 30 -8.904 1.509 2.982 1.00 0.00 C ATOM 413 CD2 TYR A 30 -6.527 0.962 3.035 1.00 0.00 C ATOM 414 CE1 TYR A 30 -9.002 1.226 4.359 1.00 0.00 C ATOM 415 CE2 TYR A 30 -6.621 0.662 4.408 1.00 0.00 C ATOM 416 CZ TYR A 30 -7.857 0.807 5.076 1.00 0.00 C ATOM 417 OH TYR A 30 -7.942 0.529 6.408 1.00 0.00 O ATOM 0 H TYR A 30 -9.929 -0.403 0.600 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.980 0.716 -1.063 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.522 1.791 0.561 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.083 2.588 0.600 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.781 1.809 2.429 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.581 0.855 2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.950 1.329 4.866 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.750 0.322 4.949 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.842 0.202 6.617 1.00 0.00 H new ATOM 427 N ALA A 31 -6.324 -1.039 -0.221 1.00 0.00 N ATOM 428 CA ALA A 31 -5.451 -2.176 0.035 1.00 0.00 C ATOM 429 C ALA A 31 -3.995 -1.808 -0.279 1.00 0.00 C ATOM 430 O ALA A 31 -3.726 -0.956 -1.128 1.00 0.00 O ATOM 431 CB ALA A 31 -5.937 -3.368 -0.802 1.00 0.00 C ATOM 0 H ALA A 31 -5.945 -0.411 -0.929 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.489 -2.454 1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.292 -4.227 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.960 -3.617 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.904 -3.107 -1.860 1.00 0.00 H new ATOM 437 N TRP A 32 -3.067 -2.475 0.403 1.00 0.00 N ATOM 438 CA TRP A 32 -1.627 -2.377 0.162 1.00 0.00 C ATOM 439 C TRP A 32 -1.078 -3.746 -0.245 1.00 0.00 C ATOM 440 O TRP A 32 -1.540 -4.778 0.241 1.00 0.00 O ATOM 441 CB TRP A 32 -0.913 -1.834 1.409 1.00 0.00 C ATOM 442 CG TRP A 32 -1.073 -0.368 1.673 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.219 0.256 2.029 1.00 0.00 C ATOM 444 CD2 TRP A 32 -0.057 0.682 1.599 1.00 0.00 C ATOM 445 NE1 TRP A 32 -1.990 1.609 2.171 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.666 1.924 1.959 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.318 0.714 1.271 1.00 0.00 C ATOM 448 CZ2 TRP A 32 0.057 3.124 2.013 1.00 0.00 C ATOM 449 CZ3 TRP A 32 2.047 1.918 1.315 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.422 3.121 1.692 1.00 0.00 C ATOM 0 H TRP A 32 -3.301 -3.117 1.160 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.443 -1.678 -0.654 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.277 -2.381 2.279 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.151 -2.052 1.318 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.171 -0.232 2.180 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.712 2.291 2.404 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.817 -0.199 0.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.433 4.043 2.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.096 1.918 1.057 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.991 4.038 1.734 1.00 0.00 H new ATOM 461 N TYR A 33 -0.070 -3.750 -1.115 1.00 0.00 N ATOM 462 CA TYR A 33 0.555 -4.958 -1.666 1.00 0.00 C ATOM 463 C TYR A 33 2.088 -4.836 -1.693 1.00 0.00 C ATOM 464 O TYR A 33 2.623 -3.731 -1.739 1.00 0.00 O ATOM 465 CB TYR A 33 0.031 -5.219 -3.089 1.00 0.00 C ATOM 466 CG TYR A 33 -1.430 -5.615 -3.226 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.451 -4.647 -3.120 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.765 -6.950 -3.531 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.800 -5.014 -3.277 1.00 0.00 C ATOM 470 CE2 TYR A 33 -3.114 -7.323 -3.694 1.00 0.00 C ATOM 471 CZ TYR A 33 -4.137 -6.356 -3.561 1.00 0.00 C ATOM 472 OH TYR A 33 -5.443 -6.706 -3.716 1.00 0.00 O ATOM 0 H TYR A 33 0.349 -2.890 -1.468 1.00 0.00 H new ATOM 0 HA TYR A 33 0.292 -5.795 -1.019 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.194 -4.318 -3.680 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.638 -6.007 -3.534 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.195 -3.618 -2.917 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.985 -7.689 -3.640 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.577 -4.270 -3.180 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.367 -8.348 -3.921 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.504 -7.665 -3.908 1.00 0.00 H new ATOM 482 N TYR A 34 2.794 -5.969 -1.721 1.00 0.00 N ATOM 483 CA TYR A 34 4.257 -6.061 -1.840 1.00 0.00 C ATOM 484 C TYR A 34 4.671 -7.152 -2.844 1.00 0.00 C ATOM 485 O TYR A 34 3.958 -8.146 -2.993 1.00 0.00 O ATOM 486 CB TYR A 34 4.877 -6.331 -0.459 1.00 0.00 C ATOM 487 CG TYR A 34 4.544 -7.680 0.158 1.00 0.00 C ATOM 488 CD1 TYR A 34 3.344 -7.853 0.880 1.00 0.00 C ATOM 489 CD2 TYR A 34 5.436 -8.761 0.020 1.00 0.00 C ATOM 490 CE1 TYR A 34 3.034 -9.097 1.459 1.00 0.00 C ATOM 491 CE2 TYR A 34 5.135 -10.009 0.601 1.00 0.00 C ATOM 492 CZ TYR A 34 3.934 -10.179 1.324 1.00 0.00 C ATOM 493 OH TYR A 34 3.650 -11.387 1.892 1.00 0.00 O ATOM 0 H TYR A 34 2.348 -6.884 -1.659 1.00 0.00 H new ATOM 0 HA TYR A 34 4.631 -5.109 -2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.960 -6.248 -0.545 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.551 -5.548 0.225 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.659 -7.025 0.989 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.355 -8.633 -0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.111 -9.225 2.005 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.822 -10.835 0.493 1.00 0.00 H new ATOM 0 HH TYR A 34 4.375 -12.017 1.700 1.00 0.00 H new ATOM 503 N GLU A 35 5.809 -6.986 -3.529 1.00 0.00 N ATOM 504 CA GLU A 35 6.324 -7.991 -4.473 1.00 0.00 C ATOM 505 C GLU A 35 6.945 -9.188 -3.737 1.00 0.00 C ATOM 506 O GLU A 35 8.140 -9.198 -3.429 1.00 0.00 O ATOM 507 CB GLU A 35 7.336 -7.388 -5.462 1.00 0.00 C ATOM 508 CG GLU A 35 6.691 -6.414 -6.445 1.00 0.00 C ATOM 509 CD GLU A 35 7.605 -6.173 -7.657 1.00 0.00 C ATOM 510 OE1 GLU A 35 8.607 -5.431 -7.529 1.00 0.00 O ATOM 511 OE2 GLU A 35 7.340 -6.740 -8.744 1.00 0.00 O ATOM 0 H GLU A 35 6.397 -6.157 -3.447 1.00 0.00 H new ATOM 0 HA GLU A 35 5.468 -8.346 -5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.118 -6.871 -4.905 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.818 -8.192 -6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.733 -6.811 -6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.487 -5.468 -5.944 1.00 0.00 H new ATOM 518 N GLY A 36 6.135 -10.216 -3.478 1.00 0.00 N ATOM 519 CA GLY A 36 6.575 -11.493 -2.908 1.00 0.00 C ATOM 520 C GLY A 36 7.150 -12.444 -3.962 1.00 0.00 C ATOM 521 O GLY A 36 7.240 -12.119 -5.149 1.00 0.00 O ATOM 0 H GLY A 36 5.132 -10.184 -3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.330 -11.305 -2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.732 -11.974 -2.412 1.00 0.00 H new ATOM 525 N ARG A 37 7.532 -13.649 -3.518 1.00 0.00 N ATOM 526 CA ARG A 37 8.272 -14.638 -4.326 1.00 0.00 C ATOM 527 C ARG A 37 7.530 -15.090 -5.599 1.00 0.00 C ATOM 528 O ARG A 37 8.167 -15.350 -6.621 1.00 0.00 O ATOM 529 CB ARG A 37 8.614 -15.863 -3.458 1.00 0.00 C ATOM 530 CG ARG A 37 9.507 -15.508 -2.257 1.00 0.00 C ATOM 531 CD ARG A 37 9.895 -16.765 -1.470 1.00 0.00 C ATOM 532 NE ARG A 37 10.749 -16.422 -0.322 1.00 0.00 N ATOM 533 CZ ARG A 37 11.706 -17.161 0.217 1.00 0.00 C ATOM 534 NH1 ARG A 37 12.009 -18.380 -0.179 1.00 0.00 N ATOM 535 NH2 ARG A 37 12.391 -16.638 1.195 1.00 0.00 N ATOM 0 H ARG A 37 7.334 -13.973 -2.571 1.00 0.00 H new ATOM 0 HA ARG A 37 9.179 -14.139 -4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.691 -16.317 -3.098 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.118 -16.609 -4.072 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.407 -15.001 -2.606 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.982 -14.812 -1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.996 -17.272 -1.121 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.420 -17.461 -2.124 1.00 0.00 H new ATOM 0 HE ARG A 37 10.585 -15.511 0.107 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.493 -18.810 -0.946 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.760 -18.894 0.282 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.181 -15.693 1.517 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.137 -17.174 1.638 1.00 0.00 H new ATOM 549 N ASN A 38 6.195 -15.168 -5.539 1.00 0.00 N ATOM 550 CA ASN A 38 5.324 -15.629 -6.636 1.00 0.00 C ATOM 551 C ASN A 38 4.487 -14.515 -7.317 1.00 0.00 C ATOM 552 O ASN A 38 3.840 -14.773 -8.336 1.00 0.00 O ATOM 553 CB ASN A 38 4.431 -16.766 -6.103 1.00 0.00 C ATOM 554 CG ASN A 38 5.220 -18.013 -5.697 1.00 0.00 C ATOM 555 OD1 ASN A 38 6.162 -18.430 -6.360 1.00 0.00 O ATOM 556 ND2 ASN A 38 4.863 -18.642 -4.592 1.00 0.00 N ATOM 0 H ASN A 38 5.672 -14.905 -4.703 1.00 0.00 H new ATOM 0 HA ASN A 38 5.973 -15.989 -7.435 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.868 -16.404 -5.243 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.704 -17.037 -6.868 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.371 -19.474 -4.292 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.079 -18.296 -4.039 1.00 0.00 H new ATOM 563 N GLY A 39 4.501 -13.284 -6.784 1.00 0.00 N ATOM 564 CA GLY A 39 3.781 -12.109 -7.304 1.00 0.00 C ATOM 565 C GLY A 39 3.414 -11.105 -6.208 1.00 0.00 C ATOM 566 O GLY A 39 3.857 -11.233 -5.066 1.00 0.00 O ATOM 0 H GLY A 39 5.037 -13.070 -5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.398 -11.613 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.872 -12.439 -7.807 1.00 0.00 H new ATOM 570 N TRP A 40 2.603 -10.100 -6.547 1.00 0.00 N ATOM 571 CA TRP A 40 2.034 -9.163 -5.574 1.00 0.00 C ATOM 572 C TRP A 40 1.101 -9.874 -4.581 1.00 0.00 C ATOM 573 O TRP A 40 0.143 -10.530 -4.997 1.00 0.00 O ATOM 574 CB TRP A 40 1.267 -8.053 -6.303 1.00 0.00 C ATOM 575 CG TRP A 40 2.091 -7.167 -7.178 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.223 -7.296 -8.515 1.00 0.00 C ATOM 577 CD2 TRP A 40 2.899 -6.005 -6.806 1.00 0.00 C ATOM 578 NE1 TRP A 40 3.047 -6.303 -8.999 1.00 0.00 N ATOM 579 CE2 TRP A 40 3.468 -5.455 -7.995 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.198 -5.354 -5.589 1.00 0.00 C ATOM 581 CZ2 TRP A 40 4.262 -4.298 -7.981 1.00 0.00 C ATOM 582 CZ3 TRP A 40 4.012 -4.204 -5.564 1.00 0.00 C ATOM 583 CH2 TRP A 40 4.529 -3.665 -6.754 1.00 0.00 C ATOM 0 H TRP A 40 2.321 -9.912 -7.509 1.00 0.00 H new ATOM 0 HA TRP A 40 2.859 -8.729 -5.008 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.489 -8.513 -6.912 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.765 -7.434 -5.559 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.754 -8.062 -9.115 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.313 -6.207 -9.979 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.797 -5.743 -4.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.663 -3.899 -8.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.241 -3.732 -4.620 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.129 -2.768 -6.727 1.00 0.00 H new ATOM 594 N TRP A 41 1.339 -9.686 -3.279 1.00 0.00 N ATOM 595 CA TRP A 41 0.494 -10.208 -2.197 1.00 0.00 C ATOM 596 C TRP A 41 0.041 -9.090 -1.257 1.00 0.00 C ATOM 597 O TRP A 41 0.781 -8.136 -1.012 1.00 0.00 O ATOM 598 CB TRP A 41 1.221 -11.337 -1.450 1.00 0.00 C ATOM 599 CG TRP A 41 1.607 -12.495 -2.317 1.00 0.00 C ATOM 600 CD1 TRP A 41 2.851 -13.003 -2.458 1.00 0.00 C ATOM 601 CD2 TRP A 41 0.757 -13.273 -3.213 1.00 0.00 C ATOM 602 NE1 TRP A 41 2.839 -14.000 -3.414 1.00 0.00 N ATOM 603 CE2 TRP A 41 1.582 -14.173 -3.952 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.626 -13.293 -3.493 1.00 0.00 C ATOM 605 CZ2 TRP A 41 1.071 -14.994 -4.968 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -1.152 -14.128 -4.493 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.308 -14.970 -5.240 1.00 0.00 C ATOM 0 H TRP A 41 2.141 -9.156 -2.939 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.410 -10.631 -2.635 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.119 -10.931 -0.984 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.580 -11.697 -0.645 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.722 -12.679 -1.907 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.659 -14.541 -3.688 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.291 -12.656 -2.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 1.729 -15.637 -5.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.214 -14.123 -4.690 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.718 -15.595 -6.019 1.00 0.00 H new ATOM 618 N GLN A 42 -1.200 -9.185 -0.777 1.00 0.00 N ATOM 619 CA GLN A 42 -1.853 -8.132 0.000 1.00 0.00 C ATOM 620 C GLN A 42 -1.434 -8.187 1.481 1.00 0.00 C ATOM 621 O GLN A 42 -1.372 -9.261 2.083 1.00 0.00 O ATOM 622 CB GLN A 42 -3.379 -8.269 -0.151 1.00 0.00 C ATOM 623 CG GLN A 42 -4.120 -6.975 0.233 1.00 0.00 C ATOM 624 CD GLN A 42 -5.643 -7.144 0.269 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.250 -7.863 -0.517 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.326 -6.499 1.195 1.00 0.00 N ATOM 0 H GLN A 42 -1.787 -10.007 -0.919 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.539 -7.161 -0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.618 -8.530 -1.182 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.732 -9.088 0.476 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.774 -6.642 1.211 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.864 -6.191 -0.480 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.841 -5.896 1.859 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.339 -6.604 1.247 1.00 0.00 H new ATOM 635 N TYR A 43 -1.185 -7.021 2.082 1.00 0.00 N ATOM 636 CA TYR A 43 -1.001 -6.873 3.531 1.00 0.00 C ATOM 637 C TYR A 43 -2.318 -7.111 4.306 1.00 0.00 C ATOM 638 O TYR A 43 -3.415 -6.835 3.813 1.00 0.00 O ATOM 639 CB TYR A 43 -0.446 -5.472 3.834 1.00 0.00 C ATOM 640 CG TYR A 43 1.030 -5.287 3.547 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.988 -5.732 4.479 1.00 0.00 C ATOM 642 CD2 TYR A 43 1.451 -4.633 2.373 1.00 0.00 C ATOM 643 CE1 TYR A 43 3.358 -5.528 4.237 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.818 -4.418 2.128 1.00 0.00 C ATOM 645 CZ TYR A 43 3.779 -4.876 3.055 1.00 0.00 C ATOM 646 OH TYR A 43 5.105 -4.704 2.800 1.00 0.00 O ATOM 0 H TYR A 43 -1.104 -6.142 1.572 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.291 -7.630 3.864 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.007 -4.742 3.251 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.626 -5.247 4.885 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.669 -6.231 5.382 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.718 -4.294 1.656 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.089 -5.870 4.955 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.133 -3.903 1.232 1.00 0.00 H new ATOM 0 HH TYR A 43 5.614 -5.436 3.207 1.00 0.00 H new ATOM 656 N ASP A 44 -2.200 -7.595 5.545 1.00 0.00 N ATOM 657 CA ASP A 44 -3.314 -7.816 6.481 1.00 0.00 C ATOM 658 C ASP A 44 -4.107 -6.525 6.783 1.00 0.00 C ATOM 659 O ASP A 44 -3.562 -5.423 6.710 1.00 0.00 O ATOM 660 CB ASP A 44 -2.731 -8.442 7.755 1.00 0.00 C ATOM 661 CG ASP A 44 -3.791 -8.632 8.845 1.00 0.00 C ATOM 662 OD1 ASP A 44 -4.609 -9.573 8.732 1.00 0.00 O ATOM 663 OD2 ASP A 44 -3.832 -7.786 9.764 1.00 0.00 O ATOM 0 H ASP A 44 -1.296 -7.854 5.941 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.041 -8.490 6.027 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.285 -9.407 7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.931 -7.808 8.136 1.00 0.00 H new ATOM 668 N GLU A 45 -5.388 -6.642 7.153 1.00 0.00 N ATOM 669 CA GLU A 45 -6.299 -5.508 7.369 1.00 0.00 C ATOM 670 C GLU A 45 -5.929 -4.656 8.594 1.00 0.00 C ATOM 671 O GLU A 45 -6.317 -3.490 8.668 1.00 0.00 O ATOM 672 CB GLU A 45 -7.755 -6.012 7.453 1.00 0.00 C ATOM 673 CG GLU A 45 -7.966 -7.181 8.434 1.00 0.00 C ATOM 674 CD GLU A 45 -9.453 -7.485 8.670 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.168 -7.848 7.706 1.00 0.00 O ATOM 676 OE2 GLU A 45 -9.904 -7.385 9.837 1.00 0.00 O ATOM 0 H GLU A 45 -5.831 -7.546 7.314 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.197 -4.845 6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.397 -5.183 7.750 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.077 -6.324 6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.473 -8.072 8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.491 -6.944 9.386 1.00 0.00 H new ATOM 683 N ARG A 46 -5.144 -5.204 9.532 1.00 0.00 N ATOM 684 CA ARG A 46 -4.634 -4.488 10.711 1.00 0.00 C ATOM 685 C ARG A 46 -3.221 -3.927 10.479 1.00 0.00 C ATOM 686 O ARG A 46 -2.757 -3.103 11.271 1.00 0.00 O ATOM 687 CB ARG A 46 -4.659 -5.401 11.952 1.00 0.00 C ATOM 688 CG ARG A 46 -5.918 -6.280 12.122 1.00 0.00 C ATOM 689 CD ARG A 46 -7.240 -5.520 11.928 1.00 0.00 C ATOM 690 NE ARG A 46 -8.408 -6.410 11.997 1.00 0.00 N ATOM 691 CZ ARG A 46 -9.025 -6.905 13.057 1.00 0.00 C ATOM 692 NH1 ARG A 46 -8.635 -6.666 14.293 1.00 0.00 N ATOM 693 NH2 ARG A 46 -10.074 -7.664 12.842 1.00 0.00 N ATOM 0 H ARG A 46 -4.839 -6.177 9.492 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.295 -3.639 10.886 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.787 -6.054 11.916 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.553 -4.777 12.840 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.875 -7.102 11.407 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.908 -6.723 13.118 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.328 -4.748 12.692 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.228 -5.014 10.963 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.800 -6.686 11.096 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.822 -6.075 14.466 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.146 -7.072 15.077 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.382 -7.850 11.888 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.581 -8.068 13.629 1.00 0.00 H new ATOM 707 N THR A 47 -2.551 -4.347 9.395 1.00 0.00 N ATOM 708 CA THR A 47 -1.221 -3.875 8.976 1.00 0.00 C ATOM 709 C THR A 47 -1.330 -2.795 7.910 1.00 0.00 C ATOM 710 O THR A 47 -0.818 -1.698 8.095 1.00 0.00 O ATOM 711 CB THR A 47 -0.346 -5.043 8.507 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.182 -5.937 9.585 1.00 0.00 O ATOM 713 CG2 THR A 47 1.044 -4.564 8.089 1.00 0.00 C ATOM 0 H THR A 47 -2.934 -5.050 8.763 1.00 0.00 H new ATOM 0 HA THR A 47 -0.735 -3.427 9.843 1.00 0.00 H new ATOM 0 HB THR A 47 -0.833 -5.515 7.654 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.375 -6.692 9.302 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.639 -5.416 7.762 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.952 -3.850 7.271 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.533 -4.083 8.936 1.00 0.00 H new ATOM 721 N SER A 48 -2.047 -3.057 6.818 1.00 0.00 N ATOM 722 CA SER A 48 -2.236 -2.109 5.706 1.00 0.00 C ATOM 723 C SER A 48 -2.870 -0.783 6.143 1.00 0.00 C ATOM 724 O SER A 48 -2.523 0.275 5.613 1.00 0.00 O ATOM 725 CB SER A 48 -3.081 -2.737 4.590 1.00 0.00 C ATOM 726 OG SER A 48 -4.362 -3.150 5.041 1.00 0.00 O ATOM 0 H SER A 48 -2.523 -3.947 6.673 1.00 0.00 H new ATOM 0 HA SER A 48 -1.237 -1.884 5.333 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.200 -2.017 3.780 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.551 -3.596 4.178 1.00 0.00 H new ATOM 0 HG SER A 48 -4.265 -3.918 5.642 1.00 0.00 H new ATOM 732 N ARG A 49 -3.716 -0.811 7.181 1.00 0.00 N ATOM 733 CA ARG A 49 -4.294 0.398 7.766 1.00 0.00 C ATOM 734 C ARG A 49 -3.236 1.326 8.371 1.00 0.00 C ATOM 735 O ARG A 49 -3.444 2.533 8.393 1.00 0.00 O ATOM 736 CB ARG A 49 -5.413 0.031 8.753 1.00 0.00 C ATOM 737 CG ARG A 49 -4.944 -0.485 10.127 1.00 0.00 C ATOM 738 CD ARG A 49 -4.496 0.563 11.168 1.00 0.00 C ATOM 739 NE ARG A 49 -5.396 1.729 11.254 1.00 0.00 N ATOM 740 CZ ARG A 49 -5.017 2.988 11.466 1.00 0.00 C ATOM 741 NH1 ARG A 49 -3.795 3.320 11.814 1.00 0.00 N ATOM 742 NH2 ARG A 49 -5.871 3.977 11.330 1.00 0.00 N ATOM 0 H ARG A 49 -4.016 -1.673 7.636 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.746 0.979 6.962 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.039 0.910 8.909 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.043 -0.731 8.294 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.757 -1.066 10.563 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.114 -1.172 9.963 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.435 0.088 12.147 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.492 0.906 10.917 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.395 1.556 11.141 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.085 2.598 11.934 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.556 4.300 11.964 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.835 3.784 11.059 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.570 4.937 11.495 1.00 0.00 H new ATOM 756 N GLU A 50 -2.096 0.795 8.832 1.00 0.00 N ATOM 757 CA GLU A 50 -1.018 1.609 9.416 1.00 0.00 C ATOM 758 C GLU A 50 -0.291 2.387 8.308 1.00 0.00 C ATOM 759 O GLU A 50 0.028 3.567 8.456 1.00 0.00 O ATOM 760 CB GLU A 50 0.002 0.730 10.171 1.00 0.00 C ATOM 761 CG GLU A 50 -0.578 -0.102 11.324 1.00 0.00 C ATOM 762 CD GLU A 50 -0.830 0.745 12.580 1.00 0.00 C ATOM 763 OE1 GLU A 50 -1.790 1.548 12.583 1.00 0.00 O ATOM 764 OE2 GLU A 50 -0.075 0.608 13.572 1.00 0.00 O ATOM 0 H GLU A 50 -1.894 -0.205 8.812 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.470 2.303 10.124 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.473 0.054 9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.788 1.373 10.568 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.513 -0.561 11.004 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.109 -0.913 11.566 1.00 0.00 H new ATOM 771 N LEU A 51 -0.096 1.722 7.165 1.00 0.00 N ATOM 772 CA LEU A 51 0.516 2.266 5.956 1.00 0.00 C ATOM 773 C LEU A 51 -0.378 3.351 5.339 1.00 0.00 C ATOM 774 O LEU A 51 0.096 4.434 4.998 1.00 0.00 O ATOM 775 CB LEU A 51 0.763 1.107 4.968 1.00 0.00 C ATOM 776 CG LEU A 51 1.428 -0.157 5.552 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.551 -1.237 4.472 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.799 0.163 6.148 1.00 0.00 C ATOM 0 H LEU A 51 -0.374 0.747 7.056 1.00 0.00 H new ATOM 0 HA LEU A 51 1.468 2.738 6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.193 0.820 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.387 1.477 4.155 1.00 0.00 H new ATOM 0 HG LEU A 51 0.795 -0.532 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.022 -2.124 4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.559 -1.495 4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.160 -0.861 3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.242 -0.748 6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.447 0.569 5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.686 0.896 6.947 1.00 0.00 H new ATOM 790 N GLU A 52 -1.685 3.075 5.269 1.00 0.00 N ATOM 791 CA GLU A 52 -2.721 3.998 4.802 1.00 0.00 C ATOM 792 C GLU A 52 -2.842 5.260 5.681 1.00 0.00 C ATOM 793 O GLU A 52 -3.165 6.337 5.179 1.00 0.00 O ATOM 794 CB GLU A 52 -4.062 3.241 4.766 1.00 0.00 C ATOM 795 CG GLU A 52 -5.200 3.982 4.046 1.00 0.00 C ATOM 796 CD GLU A 52 -5.030 4.068 2.523 1.00 0.00 C ATOM 797 OE1 GLU A 52 -4.072 3.496 1.952 1.00 0.00 O ATOM 798 OE2 GLU A 52 -5.868 4.733 1.872 1.00 0.00 O ATOM 0 H GLU A 52 -2.062 2.169 5.547 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.444 4.347 3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.907 2.279 4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.373 3.032 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.142 3.481 4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.274 4.992 4.450 1.00 0.00 H new ATOM 805 N ASP A 53 -2.560 5.159 6.984 1.00 0.00 N ATOM 806 CA ASP A 53 -2.645 6.280 7.927 1.00 0.00 C ATOM 807 C ASP A 53 -1.393 7.161 7.839 1.00 0.00 C ATOM 808 O ASP A 53 -1.471 8.380 7.911 1.00 0.00 O ATOM 809 CB ASP A 53 -2.822 5.718 9.349 1.00 0.00 C ATOM 810 CG ASP A 53 -3.499 6.653 10.366 1.00 0.00 C ATOM 811 OD1 ASP A 53 -3.777 7.835 10.063 1.00 0.00 O ATOM 812 OD2 ASP A 53 -3.791 6.157 11.481 1.00 0.00 O ATOM 0 H ASP A 53 -2.263 4.286 7.419 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.501 6.905 7.675 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.406 4.800 9.285 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.840 5.445 9.735 1.00 0.00 H new ATOM 817 N ALA A 54 -0.229 6.545 7.630 1.00 0.00 N ATOM 818 CA ALA A 54 1.077 7.205 7.632 1.00 0.00 C ATOM 819 C ALA A 54 1.244 8.271 6.536 1.00 0.00 C ATOM 820 O ALA A 54 1.616 9.406 6.852 1.00 0.00 O ATOM 821 CB ALA A 54 2.137 6.110 7.556 1.00 0.00 C ATOM 0 H ALA A 54 -0.167 5.543 7.449 1.00 0.00 H new ATOM 0 HA ALA A 54 1.185 7.778 8.553 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.128 6.563 7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.040 5.450 8.418 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.000 5.534 6.641 1.00 0.00 H new ATOM 827 N PHE A 55 0.913 7.958 5.275 1.00 0.00 N ATOM 828 CA PHE A 55 0.976 8.949 4.188 1.00 0.00 C ATOM 829 C PHE A 55 -0.108 10.034 4.334 1.00 0.00 C ATOM 830 O PHE A 55 0.012 11.127 3.780 1.00 0.00 O ATOM 831 CB PHE A 55 0.936 8.265 2.809 1.00 0.00 C ATOM 832 CG PHE A 55 -0.439 8.080 2.199 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.218 6.962 2.540 1.00 0.00 C ATOM 834 CD2 PHE A 55 -0.935 9.026 1.282 1.00 0.00 C ATOM 835 CE1 PHE A 55 -2.486 6.788 1.958 1.00 0.00 C ATOM 836 CE2 PHE A 55 -2.203 8.850 0.699 1.00 0.00 C ATOM 837 CZ PHE A 55 -2.980 7.728 1.038 1.00 0.00 C ATOM 0 H PHE A 55 0.600 7.032 4.982 1.00 0.00 H new ATOM 0 HA PHE A 55 1.935 9.462 4.266 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.543 8.850 2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.407 7.286 2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.844 6.237 3.248 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.340 9.890 1.025 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.083 5.927 2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.579 9.575 -0.008 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.954 7.589 0.592 1.00 0.00 H new ATOM 847 N SER A 56 -1.145 9.741 5.120 1.00 0.00 N ATOM 848 CA SER A 56 -2.229 10.670 5.462 1.00 0.00 C ATOM 849 C SER A 56 -1.862 11.604 6.635 1.00 0.00 C ATOM 850 O SER A 56 -2.276 12.767 6.668 1.00 0.00 O ATOM 851 CB SER A 56 -3.497 9.862 5.782 1.00 0.00 C ATOM 852 OG SER A 56 -4.668 10.649 5.602 1.00 0.00 O ATOM 0 H SER A 56 -1.259 8.823 5.550 1.00 0.00 H new ATOM 0 HA SER A 56 -2.406 11.317 4.603 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.544 8.984 5.138 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.452 9.502 6.810 1.00 0.00 H new ATOM 0 HG SER A 56 -5.460 10.110 5.811 1.00 0.00 H new ATOM 858 N LYS A 57 -1.024 11.138 7.574 1.00 0.00 N ATOM 859 CA LYS A 57 -0.494 11.922 8.698 1.00 0.00 C ATOM 860 C LYS A 57 0.574 12.927 8.236 1.00 0.00 C ATOM 861 O LYS A 57 0.585 14.074 8.691 1.00 0.00 O ATOM 862 CB LYS A 57 0.124 10.964 9.731 1.00 0.00 C ATOM 863 CG LYS A 57 -0.913 10.229 10.597 1.00 0.00 C ATOM 864 CD LYS A 57 -0.347 8.904 11.132 1.00 0.00 C ATOM 865 CE LYS A 57 0.991 9.052 11.878 1.00 0.00 C ATOM 866 NZ LYS A 57 0.794 9.385 13.316 1.00 0.00 N ATOM 0 H LYS A 57 -0.687 10.175 7.571 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.317 12.484 9.139 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.735 10.227 9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.792 11.528 10.382 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.211 10.864 11.431 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.810 10.034 10.009 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.078 8.453 11.803 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.212 8.215 10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.557 8.124 11.795 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.586 9.832 11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.720 9.476 13.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.276 10.283 13.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.248 8.629 13.776 1.00 0.00 H new ATOM 880 N GLY A 58 1.466 12.487 7.338 1.00 0.00 N ATOM 881 CA GLY A 58 2.554 13.291 6.772 1.00 0.00 C ATOM 882 C GLY A 58 3.939 12.678 6.946 1.00 0.00 C ATOM 883 O GLY A 58 4.898 13.206 6.382 1.00 0.00 O ATOM 0 H GLY A 58 1.449 11.534 6.976 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.366 13.440 5.709 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.544 14.276 7.239 1.00 0.00 H new ATOM 887 N LYS A 59 4.077 11.579 7.703 1.00 0.00 N ATOM 888 CA LYS A 59 5.350 10.859 7.793 1.00 0.00 C ATOM 889 C LYS A 59 5.764 10.225 6.452 1.00 0.00 C ATOM 890 O LYS A 59 4.938 9.844 5.620 1.00 0.00 O ATOM 891 CB LYS A 59 5.349 9.839 8.950 1.00 0.00 C ATOM 892 CG LYS A 59 4.101 8.952 9.003 1.00 0.00 C ATOM 893 CD LYS A 59 4.300 7.705 9.873 1.00 0.00 C ATOM 894 CE LYS A 59 4.767 7.993 11.309 1.00 0.00 C ATOM 895 NZ LYS A 59 4.994 6.732 12.068 1.00 0.00 N ATOM 0 H LYS A 59 3.324 11.173 8.259 1.00 0.00 H new ATOM 0 HA LYS A 59 6.115 11.600 8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.230 9.203 8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.439 10.377 9.894 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.264 9.532 9.392 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.834 8.646 7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.361 7.154 9.914 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.030 7.055 9.391 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.688 8.576 11.284 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.020 8.599 11.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.394 6.725 12.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.753 5.917 11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.993 6.671 12.349 1.00 0.00 H new ATOM 909 N LYS A 60 7.077 10.088 6.274 1.00 0.00 N ATOM 910 CA LYS A 60 7.721 9.607 5.037 1.00 0.00 C ATOM 911 C LYS A 60 8.107 8.119 5.097 1.00 0.00 C ATOM 912 O LYS A 60 8.635 7.563 4.136 1.00 0.00 O ATOM 913 CB LYS A 60 8.891 10.553 4.698 1.00 0.00 C ATOM 914 CG LYS A 60 10.183 10.332 5.498 1.00 0.00 C ATOM 915 CD LYS A 60 11.251 11.406 5.229 1.00 0.00 C ATOM 916 CE LYS A 60 10.851 12.780 5.789 1.00 0.00 C ATOM 917 NZ LYS A 60 11.912 13.797 5.565 1.00 0.00 N ATOM 0 H LYS A 60 7.750 10.314 7.006 1.00 0.00 H new ATOM 0 HA LYS A 60 7.005 9.642 4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.121 10.450 3.637 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.560 11.580 4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.947 10.321 6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.592 9.352 5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.196 11.095 5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.418 11.488 4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.926 13.110 5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.650 12.693 6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.605 14.710 5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.788 13.495 6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.086 13.898 4.545 1.00 0.00 H new ATOM 931 N ASN A 61 7.829 7.466 6.229 1.00 0.00 N ATOM 932 CA ASN A 61 8.044 6.044 6.498 1.00 0.00 C ATOM 933 C ASN A 61 7.398 5.672 7.836 1.00 0.00 C ATOM 934 O ASN A 61 7.346 6.496 8.753 1.00 0.00 O ATOM 935 CB ASN A 61 9.537 5.651 6.491 1.00 0.00 C ATOM 936 CG ASN A 61 10.333 6.292 7.619 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.656 7.560 7.464 1.00 0.00 O flip ATOM 938 ND2 ASN A 61 10.651 5.674 8.627 1.00 0.00 N flip ATOM 0 H ASN A 61 7.423 7.948 7.031 1.00 0.00 H new ATOM 0 HA ASN A 61 7.574 5.484 5.689 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.621 4.567 6.567 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.977 5.939 5.536 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.391 4.693 8.727 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.176 6.140 9.367 1.00 0.00 H new ATOM 945 N THR A 62 6.916 4.435 7.939 1.00 0.00 N ATOM 946 CA THR A 62 6.295 3.881 9.159 1.00 0.00 C ATOM 947 C THR A 62 6.774 2.460 9.442 1.00 0.00 C ATOM 948 O THR A 62 7.602 1.930 8.709 1.00 0.00 O ATOM 949 CB THR A 62 4.771 4.037 9.090 1.00 0.00 C ATOM 950 OG1 THR A 62 4.280 3.985 10.410 1.00 0.00 O ATOM 951 CG2 THR A 62 4.079 2.980 8.226 1.00 0.00 C ATOM 0 H THR A 62 6.943 3.770 7.166 1.00 0.00 H new ATOM 0 HA THR A 62 6.623 4.455 10.026 1.00 0.00 H new ATOM 0 HB THR A 62 4.549 4.990 8.610 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.305 4.084 10.401 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.003 3.157 8.227 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.456 3.041 7.205 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.284 1.989 8.630 1.00 0.00 H new ATOM 959 N GLU A 63 6.291 1.855 10.522 1.00 0.00 N ATOM 960 CA GLU A 63 6.756 0.579 11.063 1.00 0.00 C ATOM 961 C GLU A 63 5.594 -0.390 11.299 1.00 0.00 C ATOM 962 O GLU A 63 4.484 0.011 11.662 1.00 0.00 O ATOM 963 CB GLU A 63 7.500 0.838 12.381 1.00 0.00 C ATOM 964 CG GLU A 63 8.868 1.469 12.118 1.00 0.00 C ATOM 965 CD GLU A 63 9.617 1.765 13.421 1.00 0.00 C ATOM 966 OE1 GLU A 63 9.226 2.705 14.152 1.00 0.00 O ATOM 967 OE2 GLU A 63 10.617 1.070 13.709 1.00 0.00 O ATOM 0 H GLU A 63 5.531 2.257 11.070 1.00 0.00 H new ATOM 0 HA GLU A 63 7.425 0.117 10.337 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.907 1.497 13.015 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.625 -0.099 12.923 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.465 0.799 11.500 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.740 2.393 11.554 1.00 0.00 H new ATOM 974 N MET A 64 5.871 -1.681 11.111 1.00 0.00 N ATOM 975 CA MET A 64 4.887 -2.769 11.166 1.00 0.00 C ATOM 976 C MET A 64 5.521 -4.099 11.587 1.00 0.00 C ATOM 977 O MET A 64 6.672 -4.394 11.261 1.00 0.00 O ATOM 978 CB MET A 64 4.167 -2.911 9.812 1.00 0.00 C ATOM 979 CG MET A 64 5.142 -2.996 8.631 1.00 0.00 C ATOM 980 SD MET A 64 4.401 -3.401 7.036 1.00 0.00 S ATOM 981 CE MET A 64 5.929 -3.799 6.151 1.00 0.00 C ATOM 0 H MET A 64 6.815 -2.011 10.910 1.00 0.00 H new ATOM 0 HA MET A 64 4.154 -2.509 11.929 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.543 -3.805 9.828 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.501 -2.060 9.668 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.658 -2.040 8.540 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.899 -3.746 8.861 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.797 -3.596 5.088 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.744 -3.188 6.539 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.167 -4.853 6.292 1.00 0.00 H new ATOM 991 N LEU A 65 4.742 -4.907 12.307 1.00 0.00 N ATOM 992 CA LEU A 65 5.103 -6.241 12.785 1.00 0.00 C ATOM 993 C LEU A 65 4.453 -7.307 11.898 1.00 0.00 C ATOM 994 O LEU A 65 3.310 -7.160 11.458 1.00 0.00 O ATOM 995 CB LEU A 65 4.657 -6.382 14.260 1.00 0.00 C ATOM 996 CG LEU A 65 5.662 -7.050 15.218 1.00 0.00 C ATOM 997 CD1 LEU A 65 6.038 -8.486 14.848 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.916 -6.184 15.357 1.00 0.00 C ATOM 0 H LEU A 65 3.799 -4.636 12.585 1.00 0.00 H new ATOM 0 HA LEU A 65 6.183 -6.382 12.732 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.427 -5.388 14.644 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.730 -6.955 14.283 1.00 0.00 H new ATOM 0 HG LEU A 65 5.150 -7.125 16.177 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.749 -8.875 15.577 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.143 -9.108 14.847 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.491 -8.500 13.857 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.618 -6.667 16.037 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.383 -6.061 14.380 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.641 -5.207 15.754 1.00 0.00 H new ATOM 1010 N ILE A 66 5.187 -8.390 11.659 1.00 0.00 N ATOM 1011 CA ILE A 66 4.765 -9.527 10.816 1.00 0.00 C ATOM 1012 C ILE A 66 4.788 -10.858 11.598 1.00 0.00 C ATOM 1013 O ILE A 66 4.647 -10.863 12.820 1.00 0.00 O ATOM 1014 CB ILE A 66 5.568 -9.537 9.499 1.00 0.00 C ATOM 1015 CG1 ILE A 66 7.066 -9.845 9.723 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.359 -8.215 8.737 1.00 0.00 C ATOM 1017 CD1 ILE A 66 7.526 -11.089 8.959 1.00 0.00 C ATOM 0 H ILE A 66 6.120 -8.514 12.053 1.00 0.00 H new ATOM 0 HA ILE A 66 3.720 -9.401 10.532 1.00 0.00 H new ATOM 0 HB ILE A 66 5.185 -10.351 8.883 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.661 -8.988 9.409 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.250 -9.987 10.788 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.931 -8.235 7.810 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.301 -8.091 8.508 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.697 -7.382 9.354 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.585 -11.262 9.150 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.951 -11.953 9.292 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.370 -10.939 7.891 1.00 0.00 H new ATOM 1029 N ALA A 67 4.980 -11.992 10.918 1.00 0.00 N ATOM 1030 CA ALA A 67 5.064 -13.331 11.511 1.00 0.00 C ATOM 1031 C ALA A 67 6.193 -13.531 12.552 1.00 0.00 C ATOM 1032 O ALA A 67 6.152 -14.503 13.309 1.00 0.00 O ATOM 1033 CB ALA A 67 5.244 -14.317 10.352 1.00 0.00 C ATOM 0 H ALA A 67 5.085 -12.004 9.903 1.00 0.00 H new ATOM 0 HA ALA A 67 4.148 -13.494 12.078 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.312 -15.332 10.745 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.391 -14.245 9.677 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.158 -14.077 9.808 1.00 0.00 H new ATOM 1039 N GLY A 68 7.185 -12.632 12.607 1.00 0.00 N ATOM 1040 CA GLY A 68 8.299 -12.701 13.565 1.00 0.00 C ATOM 1041 C GLY A 68 9.347 -11.585 13.488 1.00 0.00 C ATOM 1042 O GLY A 68 10.435 -11.754 14.040 1.00 0.00 O ATOM 0 H GLY A 68 7.238 -11.828 11.982 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.881 -12.706 14.572 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.808 -13.655 13.426 1.00 0.00 H new ATOM 1046 N PHE A 69 9.053 -10.467 12.807 1.00 0.00 N ATOM 1047 CA PHE A 69 10.020 -9.412 12.466 1.00 0.00 C ATOM 1048 C PHE A 69 9.356 -8.028 12.381 1.00 0.00 C ATOM 1049 O PHE A 69 8.167 -7.915 12.075 1.00 0.00 O ATOM 1050 CB PHE A 69 10.701 -9.739 11.120 1.00 0.00 C ATOM 1051 CG PHE A 69 11.530 -11.012 11.089 1.00 0.00 C ATOM 1052 CD1 PHE A 69 12.871 -10.984 11.510 1.00 0.00 C ATOM 1053 CD2 PHE A 69 10.967 -12.223 10.635 1.00 0.00 C ATOM 1054 CE1 PHE A 69 13.649 -12.156 11.478 1.00 0.00 C ATOM 1055 CE2 PHE A 69 11.742 -13.395 10.604 1.00 0.00 C ATOM 1056 CZ PHE A 69 13.084 -13.363 11.024 1.00 0.00 C ATOM 0 H PHE A 69 8.112 -10.266 12.469 1.00 0.00 H new ATOM 0 HA PHE A 69 10.763 -9.379 13.263 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.930 -9.811 10.353 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.344 -8.902 10.847 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.306 -10.059 11.859 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.937 -12.250 10.310 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.679 -12.130 11.802 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.307 -14.321 10.257 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.680 -14.263 10.998 1.00 0.00 H new ATOM 1066 N LEU A 70 10.148 -6.975 12.608 1.00 0.00 N ATOM 1067 CA LEU A 70 9.763 -5.582 12.367 1.00 0.00 C ATOM 1068 C LEU A 70 10.256 -5.187 10.970 1.00 0.00 C ATOM 1069 O LEU A 70 11.451 -5.260 10.673 1.00 0.00 O ATOM 1070 CB LEU A 70 10.372 -4.688 13.470 1.00 0.00 C ATOM 1071 CG LEU A 70 9.833 -3.248 13.643 1.00 0.00 C ATOM 1072 CD1 LEU A 70 9.838 -2.398 12.368 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.424 -3.217 14.246 1.00 0.00 C ATOM 0 H LEU A 70 11.096 -7.071 12.973 1.00 0.00 H new ATOM 0 HA LEU A 70 8.681 -5.455 12.403 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.245 -5.205 14.421 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.444 -4.619 13.285 1.00 0.00 H new ATOM 0 HG LEU A 70 10.547 -2.801 14.335 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.443 -1.407 12.590 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.858 -2.307 11.996 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.216 -2.875 11.610 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.094 -2.183 14.346 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.737 -3.756 13.594 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.438 -3.690 15.228 1.00 0.00 H new ATOM 1085 N TYR A 71 9.334 -4.722 10.134 1.00 0.00 N ATOM 1086 CA TYR A 71 9.626 -4.106 8.837 1.00 0.00 C ATOM 1087 C TYR A 71 9.271 -2.611 8.832 1.00 0.00 C ATOM 1088 O TYR A 71 8.177 -2.206 9.224 1.00 0.00 O ATOM 1089 CB TYR A 71 8.914 -4.868 7.707 1.00 0.00 C ATOM 1090 CG TYR A 71 9.387 -6.293 7.467 1.00 0.00 C ATOM 1091 CD1 TYR A 71 10.758 -6.627 7.481 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.438 -7.302 7.214 1.00 0.00 C ATOM 1093 CE1 TYR A 71 11.172 -7.960 7.301 1.00 0.00 C ATOM 1094 CE2 TYR A 71 8.841 -8.636 7.060 1.00 0.00 C ATOM 1095 CZ TYR A 71 10.210 -8.974 7.104 1.00 0.00 C ATOM 1096 OH TYR A 71 10.606 -10.268 6.959 1.00 0.00 O ATOM 0 H TYR A 71 8.336 -4.762 10.341 1.00 0.00 H new ATOM 0 HA TYR A 71 10.699 -4.174 8.660 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.847 -4.892 7.927 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.036 -4.305 6.782 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.496 -5.853 7.631 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.391 -7.046 7.138 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.223 -8.207 7.314 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.101 -9.408 6.907 1.00 0.00 H new ATOM 0 HH TYR A 71 9.819 -10.839 6.833 1.00 0.00 H new ATOM 1106 N VAL A 72 10.217 -1.797 8.367 1.00 0.00 N ATOM 1107 CA VAL A 72 10.038 -0.378 8.066 1.00 0.00 C ATOM 1108 C VAL A 72 9.450 -0.296 6.658 1.00 0.00 C ATOM 1109 O VAL A 72 10.052 -0.786 5.701 1.00 0.00 O ATOM 1110 CB VAL A 72 11.364 0.416 8.139 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.123 1.929 8.000 1.00 0.00 C ATOM 1112 CG2 VAL A 72 12.124 0.157 9.450 1.00 0.00 C ATOM 0 H VAL A 72 11.166 -2.121 8.182 1.00 0.00 H new ATOM 0 HA VAL A 72 9.378 0.071 8.808 1.00 0.00 H new ATOM 0 HB VAL A 72 11.970 0.064 7.304 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.076 2.456 8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.650 2.135 7.040 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.472 2.269 8.806 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.048 0.736 9.455 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.504 0.456 10.295 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.360 -0.904 9.530 1.00 0.00 H new ATOM 1122 N ALA A 73 8.269 0.301 6.537 1.00 0.00 N ATOM 1123 CA ALA A 73 7.654 0.644 5.265 1.00 0.00 C ATOM 1124 C ALA A 73 8.072 2.071 4.893 1.00 0.00 C ATOM 1125 O ALA A 73 7.647 3.044 5.515 1.00 0.00 O ATOM 1126 CB ALA A 73 6.138 0.479 5.393 1.00 0.00 C ATOM 0 H ALA A 73 7.701 0.565 7.342 1.00 0.00 H new ATOM 0 HA ALA A 73 7.985 -0.015 4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.663 0.733 4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.905 -0.554 5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.765 1.140 6.175 1.00 0.00 H new ATOM 1132 N ASP A 74 8.933 2.189 3.888 1.00 0.00 N ATOM 1133 CA ASP A 74 9.408 3.448 3.327 1.00 0.00 C ATOM 1134 C ASP A 74 8.371 3.977 2.327 1.00 0.00 C ATOM 1135 O ASP A 74 8.154 3.380 1.268 1.00 0.00 O ATOM 1136 CB ASP A 74 10.776 3.198 2.681 1.00 0.00 C ATOM 1137 CG ASP A 74 11.490 4.484 2.254 1.00 0.00 C ATOM 1138 OD1 ASP A 74 10.903 5.259 1.465 1.00 0.00 O ATOM 1139 OD2 ASP A 74 12.650 4.692 2.676 1.00 0.00 O ATOM 0 H ASP A 74 9.336 1.376 3.423 1.00 0.00 H new ATOM 0 HA ASP A 74 9.530 4.210 4.096 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.408 2.656 3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.646 2.556 1.809 1.00 0.00 H new ATOM 1144 N LEU A 75 7.724 5.092 2.684 1.00 0.00 N ATOM 1145 CA LEU A 75 6.665 5.735 1.900 1.00 0.00 C ATOM 1146 C LEU A 75 7.223 6.723 0.854 1.00 0.00 C ATOM 1147 O LEU A 75 6.462 7.180 0.000 1.00 0.00 O ATOM 1148 CB LEU A 75 5.660 6.418 2.859 1.00 0.00 C ATOM 1149 CG LEU A 75 4.549 5.528 3.456 1.00 0.00 C ATOM 1150 CD1 LEU A 75 5.002 4.303 4.254 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.666 6.400 4.361 1.00 0.00 C ATOM 0 H LEU A 75 7.929 5.586 3.552 1.00 0.00 H new ATOM 0 HA LEU A 75 6.145 4.965 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.222 6.857 3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.185 7.240 2.323 1.00 0.00 H new ATOM 0 HG LEU A 75 4.024 5.118 2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.128 3.763 4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.592 3.648 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.609 4.624 5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.873 5.789 4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.273 6.826 5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.224 7.204 3.773 1.00 0.00 H new ATOM 1163 N GLU A 76 8.527 7.029 0.868 1.00 0.00 N ATOM 1164 CA GLU A 76 9.179 7.840 -0.170 1.00 0.00 C ATOM 1165 C GLU A 76 9.467 7.001 -1.425 1.00 0.00 C ATOM 1166 O GLU A 76 9.097 7.360 -2.543 1.00 0.00 O ATOM 1167 CB GLU A 76 10.529 8.396 0.311 1.00 0.00 C ATOM 1168 CG GLU A 76 10.507 9.254 1.569 1.00 0.00 C ATOM 1169 CD GLU A 76 11.845 9.984 1.736 1.00 0.00 C ATOM 1170 OE1 GLU A 76 12.013 11.081 1.155 1.00 0.00 O ATOM 1171 OE2 GLU A 76 12.739 9.469 2.445 1.00 0.00 O ATOM 0 H GLU A 76 9.163 6.720 1.603 1.00 0.00 H new ATOM 0 HA GLU A 76 8.490 8.655 -0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.201 7.555 0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.960 8.987 -0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.694 9.978 1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.314 8.629 2.441 1.00 0.00 H new ATOM 1178 N ASN A 77 10.137 5.867 -1.212 1.00 0.00 N ATOM 1179 CA ASN A 77 10.659 4.964 -2.236 1.00 0.00 C ATOM 1180 C ASN A 77 9.680 3.817 -2.552 1.00 0.00 C ATOM 1181 O ASN A 77 9.898 3.059 -3.498 1.00 0.00 O ATOM 1182 CB ASN A 77 11.995 4.394 -1.730 1.00 0.00 C ATOM 1183 CG ASN A 77 13.071 5.456 -1.518 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.889 5.716 -2.394 1.00 0.00 O ATOM 1185 ND2 ASN A 77 13.125 6.083 -0.354 1.00 0.00 N ATOM 0 H ASN A 77 10.340 5.537 -0.268 1.00 0.00 H new ATOM 0 HA ASN A 77 10.798 5.522 -3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.824 3.869 -0.790 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.360 3.657 -2.445 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.847 6.783 -0.185 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.444 5.866 0.374 1.00 0.00 H new ATOM 1192 N MET A 78 8.626 3.679 -1.734 1.00 0.00 N ATOM 1193 CA MET A 78 7.635 2.590 -1.753 1.00 0.00 C ATOM 1194 C MET A 78 8.312 1.215 -1.620 1.00 0.00 C ATOM 1195 O MET A 78 8.233 0.387 -2.524 1.00 0.00 O ATOM 1196 CB MET A 78 6.724 2.675 -2.993 1.00 0.00 C ATOM 1197 CG MET A 78 5.858 3.941 -3.057 1.00 0.00 C ATOM 1198 SD MET A 78 4.157 3.747 -2.451 1.00 0.00 S ATOM 1199 CE MET A 78 4.390 4.085 -0.691 1.00 0.00 C ATOM 0 H MET A 78 8.430 4.361 -1.001 1.00 0.00 H new ATOM 0 HA MET A 78 6.991 2.712 -0.882 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.344 2.628 -3.888 1.00 0.00 H new ATOM 0 HB3 MET A 78 6.072 1.802 -3.010 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.346 4.725 -2.478 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.821 4.285 -4.091 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.420 4.234 -0.217 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.897 3.241 -0.222 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.994 4.984 -0.570 1.00 0.00 H new ATOM 1209 N VAL A 79 8.949 0.938 -0.483 1.00 0.00 N ATOM 1210 CA VAL A 79 9.617 -0.359 -0.219 1.00 0.00 C ATOM 1211 C VAL A 79 9.463 -0.807 1.235 1.00 0.00 C ATOM 1212 O VAL A 79 9.306 0.023 2.126 1.00 0.00 O ATOM 1213 CB VAL A 79 11.128 -0.372 -0.588 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.408 -0.282 -2.096 1.00 0.00 C ATOM 1215 CG2 VAL A 79 11.924 0.728 0.129 1.00 0.00 C ATOM 0 H VAL A 79 9.023 1.600 0.289 1.00 0.00 H new ATOM 0 HA VAL A 79 9.102 -1.061 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 79 11.466 -1.349 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.484 -0.297 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.948 -1.130 -2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.991 0.645 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.972 0.671 -0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.523 1.704 -0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.843 0.591 1.207 1.00 0.00 H new ATOM 1225 N GLN A 80 9.533 -2.117 1.479 1.00 0.00 N ATOM 1226 CA GLN A 80 9.656 -2.692 2.824 1.00 0.00 C ATOM 1227 C GLN A 80 11.116 -3.100 3.082 1.00 0.00 C ATOM 1228 O GLN A 80 11.791 -3.549 2.157 1.00 0.00 O ATOM 1229 CB GLN A 80 8.696 -3.884 3.014 1.00 0.00 C ATOM 1230 CG GLN A 80 8.927 -5.052 2.031 1.00 0.00 C ATOM 1231 CD GLN A 80 8.382 -6.399 2.502 1.00 0.00 C ATOM 1232 OE1 GLN A 80 7.644 -7.079 1.804 1.00 0.00 O ATOM 1233 NE2 GLN A 80 8.762 -6.887 3.665 1.00 0.00 N ATOM 0 H GLN A 80 9.506 -2.819 0.740 1.00 0.00 H new ATOM 0 HA GLN A 80 9.371 -1.936 3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.797 -4.257 4.033 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.671 -3.530 2.904 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.465 -4.802 1.076 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.997 -5.151 1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.378 -6.343 4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.441 -7.809 3.961 1.00 0.00 H new ATOM 1242 N TYR A 81 11.596 -2.982 4.325 1.00 0.00 N ATOM 1243 CA TYR A 81 12.904 -3.495 4.772 1.00 0.00 C ATOM 1244 C TYR A 81 13.027 -3.634 6.300 1.00 0.00 C ATOM 1245 O TYR A 81 12.285 -3.006 7.056 1.00 0.00 O ATOM 1246 CB TYR A 81 14.057 -2.656 4.197 1.00 0.00 C ATOM 1247 CG TYR A 81 13.991 -1.150 4.368 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.197 -0.549 5.627 1.00 0.00 C ATOM 1249 CD2 TYR A 81 13.796 -0.339 3.235 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.197 0.853 5.749 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.805 1.063 3.344 1.00 0.00 C ATOM 1252 CZ TYR A 81 13.995 1.665 4.609 1.00 0.00 C ATOM 1253 OH TYR A 81 13.986 3.022 4.743 1.00 0.00 O ATOM 0 H TYR A 81 11.076 -2.517 5.069 1.00 0.00 H new ATOM 0 HA TYR A 81 12.976 -4.507 4.374 1.00 0.00 H new ATOM 0 HB2 TYR A 81 14.984 -3.004 4.653 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.126 -2.869 3.130 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.355 -1.166 6.499 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.638 -0.798 2.271 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.352 1.310 6.715 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.667 1.677 2.466 1.00 0.00 H new ATOM 0 HH TYR A 81 13.525 3.423 3.977 1.00 0.00 H new ATOM 1263 N ARG A 82 13.980 -4.445 6.769 1.00 0.00 N ATOM 1264 CA ARG A 82 14.283 -4.656 8.196 1.00 0.00 C ATOM 1265 C ARG A 82 15.128 -3.500 8.762 1.00 0.00 C ATOM 1266 O ARG A 82 16.092 -3.079 8.124 1.00 0.00 O ATOM 1267 CB ARG A 82 14.983 -6.024 8.313 1.00 0.00 C ATOM 1268 CG ARG A 82 15.488 -6.369 9.722 1.00 0.00 C ATOM 1269 CD ARG A 82 16.064 -7.789 9.748 1.00 0.00 C ATOM 1270 NE ARG A 82 16.705 -8.076 11.044 1.00 0.00 N ATOM 1271 CZ ARG A 82 17.885 -8.655 11.252 1.00 0.00 C ATOM 1272 NH1 ARG A 82 18.685 -9.038 10.279 1.00 0.00 N ATOM 1273 NH2 ARG A 82 18.288 -8.858 12.488 1.00 0.00 N ATOM 0 H ARG A 82 14.582 -4.991 6.152 1.00 0.00 H new ATOM 0 HA ARG A 82 13.372 -4.663 8.795 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.289 -6.800 7.990 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.827 -6.045 7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.252 -5.654 10.027 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.671 -6.288 10.439 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.269 -8.511 9.564 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.792 -7.905 8.945 1.00 0.00 H new ATOM 0 HE ARG A 82 16.185 -7.799 11.876 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.410 -8.895 9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.579 -9.477 10.497 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.698 -8.573 13.270 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.190 -9.301 12.664 1.00 0.00 H new ATOM 1287 N ARG A 83 14.809 -3.015 9.974 1.00 0.00 N ATOM 1288 CA ARG A 83 15.454 -1.850 10.630 1.00 0.00 C ATOM 1289 C ARG A 83 16.995 -1.869 10.596 1.00 0.00 C ATOM 1290 O ARG A 83 17.623 -0.860 10.279 1.00 0.00 O ATOM 1291 CB ARG A 83 15.017 -1.765 12.105 1.00 0.00 C ATOM 1292 CG ARG A 83 13.593 -1.229 12.311 1.00 0.00 C ATOM 1293 CD ARG A 83 13.151 -1.321 13.783 1.00 0.00 C ATOM 1294 NE ARG A 83 14.095 -0.663 14.707 1.00 0.00 N ATOM 1295 CZ ARG A 83 14.085 0.603 15.115 1.00 0.00 C ATOM 1296 NH1 ARG A 83 13.131 1.450 14.796 1.00 0.00 N ATOM 1297 NH2 ARG A 83 15.064 1.043 15.875 1.00 0.00 N ATOM 0 H ARG A 83 14.074 -3.431 10.547 1.00 0.00 H new ATOM 0 HA ARG A 83 15.126 -0.985 10.054 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.087 -2.757 12.551 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.716 -1.124 12.643 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.545 -0.191 11.982 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.899 -1.793 11.688 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.167 -0.865 13.891 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.049 -2.370 14.062 1.00 0.00 H new ATOM 0 HE ARG A 83 14.844 -1.248 15.077 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.353 1.145 14.210 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.169 2.412 15.134 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.821 0.415 16.146 1.00 0.00 H new ATOM 0 HH22 ARG A 83 15.066 2.012 16.194 1.00 0.00 H new ATOM 1311 N ASN A 84 17.597 -3.020 10.913 1.00 0.00 N ATOM 1312 CA ASN A 84 19.052 -3.208 11.023 1.00 0.00 C ATOM 1313 C ASN A 84 19.720 -3.693 9.711 1.00 0.00 C ATOM 1314 O ASN A 84 20.926 -3.936 9.676 1.00 0.00 O ATOM 1315 CB ASN A 84 19.314 -4.162 12.202 1.00 0.00 C ATOM 1316 CG ASN A 84 20.765 -4.111 12.677 1.00 0.00 C ATOM 1317 OD1 ASN A 84 21.265 -3.077 13.105 1.00 0.00 O ATOM 1318 ND2 ASN A 84 21.481 -5.219 12.621 1.00 0.00 N ATOM 0 H ASN A 84 17.072 -3.873 11.106 1.00 0.00 H new ATOM 0 HA ASN A 84 19.518 -2.240 11.209 1.00 0.00 H new ATOM 0 HB2 ASN A 84 18.654 -3.903 13.030 1.00 0.00 H new ATOM 0 HB3 ASN A 84 19.067 -5.181 11.904 1.00 0.00 H new ATOM 0 HD21 ASN A 84 22.452 -5.215 12.934 1.00 0.00 H new ATOM 0 HD22 ASN A 84 21.063 -6.079 12.265 1.00 0.00 H new ATOM 1325 N GLU A 85 18.939 -3.878 8.642 1.00 0.00 N ATOM 1326 CA GLU A 85 19.343 -4.530 7.392 1.00 0.00 C ATOM 1327 C GLU A 85 18.582 -3.898 6.208 1.00 0.00 C ATOM 1328 O GLU A 85 17.945 -4.567 5.398 1.00 0.00 O ATOM 1329 CB GLU A 85 19.137 -6.045 7.557 1.00 0.00 C ATOM 1330 CG GLU A 85 19.848 -6.888 6.492 1.00 0.00 C ATOM 1331 CD GLU A 85 19.726 -8.398 6.769 1.00 0.00 C ATOM 1332 OE1 GLU A 85 18.780 -8.830 7.473 1.00 0.00 O ATOM 1333 OE2 GLU A 85 20.591 -9.165 6.285 1.00 0.00 O ATOM 0 H GLU A 85 17.968 -3.565 8.623 1.00 0.00 H new ATOM 0 HA GLU A 85 20.399 -4.377 7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 85 19.494 -6.345 8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.069 -6.262 7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.425 -6.665 5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 85 20.902 -6.611 6.455 1.00 0.00 H new ATOM 1340 N HIS A 86 18.611 -2.565 6.141 1.00 0.00 N ATOM 1341 CA HIS A 86 17.789 -1.747 5.240 1.00 0.00 C ATOM 1342 C HIS A 86 18.080 -1.941 3.736 1.00 0.00 C ATOM 1343 O HIS A 86 17.251 -1.611 2.884 1.00 0.00 O ATOM 1344 CB HIS A 86 17.956 -0.280 5.657 1.00 0.00 C ATOM 1345 CG HIS A 86 19.373 0.220 5.565 1.00 0.00 C ATOM 1346 ND1 HIS A 86 20.313 0.183 6.599 1.00 0.00 N ATOM 1347 CD2 HIS A 86 19.965 0.727 4.445 1.00 0.00 C ATOM 1348 CE1 HIS A 86 21.446 0.681 6.075 1.00 0.00 C ATOM 1349 NE2 HIS A 86 21.268 1.018 4.784 1.00 0.00 N ATOM 0 H HIS A 86 19.227 -2.005 6.731 1.00 0.00 H new ATOM 0 HA HIS A 86 16.756 -2.077 5.347 1.00 0.00 H new ATOM 0 HB2 HIS A 86 17.320 0.342 5.027 1.00 0.00 H new ATOM 0 HB3 HIS A 86 17.604 -0.161 6.682 1.00 0.00 H new ATOM 0 HD2 HIS A 86 19.502 0.872 3.480 1.00 0.00 H new ATOM 0 HE1 HIS A 86 22.374 0.795 6.616 1.00 0.00 H new ATOM 0 HE2 HIS A 86 21.974 1.418 4.166 1.00 0.00 H new ATOM 1357 N GLY A 87 19.248 -2.509 3.410 1.00 0.00 N ATOM 1358 CA GLY A 87 19.659 -2.863 2.046 1.00 0.00 C ATOM 1359 C GLY A 87 18.809 -3.988 1.448 1.00 0.00 C ATOM 1360 O GLY A 87 18.457 -3.916 0.270 1.00 0.00 O ATOM 0 H GLY A 87 19.954 -2.742 4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 87 19.588 -1.981 1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.705 -3.168 2.053 1.00 0.00 H new ATOM 1364 N ARG A 88 18.413 -4.977 2.264 1.00 0.00 N ATOM 1365 CA ARG A 88 17.428 -6.004 1.895 1.00 0.00 C ATOM 1366 C ARG A 88 16.033 -5.375 1.824 1.00 0.00 C ATOM 1367 O ARG A 88 15.402 -5.144 2.856 1.00 0.00 O ATOM 1368 CB ARG A 88 17.445 -7.165 2.913 1.00 0.00 C ATOM 1369 CG ARG A 88 18.487 -8.255 2.618 1.00 0.00 C ATOM 1370 CD ARG A 88 18.233 -9.041 1.315 1.00 0.00 C ATOM 1371 NE ARG A 88 16.848 -9.546 1.203 1.00 0.00 N ATOM 1372 CZ ARG A 88 16.296 -10.553 1.875 1.00 0.00 C ATOM 1373 NH1 ARG A 88 16.957 -11.305 2.724 1.00 0.00 N ATOM 1374 NH2 ARG A 88 15.028 -10.846 1.715 1.00 0.00 N ATOM 0 H ARG A 88 18.773 -5.087 3.212 1.00 0.00 H new ATOM 0 HA ARG A 88 17.688 -6.409 0.917 1.00 0.00 H new ATOM 0 HB2 ARG A 88 17.635 -6.758 3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.456 -7.623 2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 88 19.473 -7.793 2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 88 18.509 -8.956 3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 88 18.449 -8.398 0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 88 18.925 -9.882 1.264 1.00 0.00 H new ATOM 0 HE ARG A 88 16.246 -9.067 0.533 1.00 0.00 H new ATOM 0 HH11 ARG A 88 17.947 -11.130 2.897 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.481 -12.064 3.211 1.00 0.00 H new ATOM 0 HH21 ARG A 88 14.456 -10.300 1.071 1.00 0.00 H new ATOM 0 HH22 ARG A 88 14.614 -11.620 2.235 1.00 0.00 H new ATOM 1388 N ARG A 89 15.560 -5.113 0.601 1.00 0.00 N ATOM 1389 CA ARG A 89 14.294 -4.417 0.328 1.00 0.00 C ATOM 1390 C ARG A 89 13.587 -4.912 -0.939 1.00 0.00 C ATOM 1391 O ARG A 89 14.203 -5.541 -1.802 1.00 0.00 O ATOM 1392 CB ARG A 89 14.522 -2.890 0.307 1.00 0.00 C ATOM 1393 CG ARG A 89 15.224 -2.381 -0.961 1.00 0.00 C ATOM 1394 CD ARG A 89 15.744 -0.954 -0.767 1.00 0.00 C ATOM 1395 NE ARG A 89 16.463 -0.461 -1.956 1.00 0.00 N ATOM 1396 CZ ARG A 89 17.701 -0.767 -2.337 1.00 0.00 C ATOM 1397 NH1 ARG A 89 18.443 -1.653 -1.706 1.00 0.00 N ATOM 1398 NH2 ARG A 89 18.218 -0.170 -3.390 1.00 0.00 N ATOM 0 H ARG A 89 16.057 -5.384 -0.247 1.00 0.00 H new ATOM 0 HA ARG A 89 13.612 -4.657 1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.559 -2.388 0.404 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.116 -2.610 1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.053 -3.043 -1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.529 -2.407 -1.801 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.908 -0.290 -0.548 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.409 -0.925 0.096 1.00 0.00 H new ATOM 0 HE ARG A 89 15.954 0.189 -2.555 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.074 -2.138 -0.888 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.387 -1.855 -2.035 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.671 0.520 -3.905 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.166 -0.397 -3.691 1.00 0.00 H new ATOM 1412 N ARG A 90 12.296 -4.587 -1.049 1.00 0.00 N ATOM 1413 CA ARG A 90 11.423 -4.899 -2.194 1.00 0.00 C ATOM 1414 C ARG A 90 10.216 -3.960 -2.246 1.00 0.00 C ATOM 1415 O ARG A 90 9.757 -3.465 -1.215 1.00 0.00 O ATOM 1416 CB ARG A 90 10.982 -6.376 -2.189 1.00 0.00 C ATOM 1417 CG ARG A 90 10.407 -6.835 -0.841 1.00 0.00 C ATOM 1418 CD ARG A 90 9.693 -8.181 -0.967 1.00 0.00 C ATOM 1419 NE ARG A 90 9.542 -8.814 0.348 1.00 0.00 N ATOM 1420 CZ ARG A 90 10.338 -9.737 0.871 1.00 0.00 C ATOM 1421 NH1 ARG A 90 11.340 -10.307 0.242 1.00 0.00 N ATOM 1422 NH2 ARG A 90 10.159 -10.139 2.096 1.00 0.00 N ATOM 0 H ARG A 90 11.806 -4.078 -0.314 1.00 0.00 H new ATOM 0 HA ARG A 90 12.008 -4.738 -3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.232 -6.526 -2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.836 -7.004 -2.444 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.211 -6.915 -0.109 1.00 0.00 H new ATOM 0 HG3 ARG A 90 9.710 -6.085 -0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.713 -8.037 -1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.258 -8.837 -1.629 1.00 0.00 H new ATOM 0 HE ARG A 90 8.748 -8.515 0.915 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.552 -10.046 -0.721 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.906 -11.010 0.716 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.404 -9.744 2.657 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.773 -10.849 2.495 1.00 0.00 H new ATOM 1436 N LYS A 91 9.727 -3.704 -3.461 1.00 0.00 N ATOM 1437 CA LYS A 91 8.681 -2.723 -3.771 1.00 0.00 C ATOM 1438 C LYS A 91 7.313 -3.049 -3.148 1.00 0.00 C ATOM 1439 O LYS A 91 6.889 -4.208 -3.093 1.00 0.00 O ATOM 1440 CB LYS A 91 8.582 -2.573 -5.308 1.00 0.00 C ATOM 1441 CG LYS A 91 9.095 -1.221 -5.836 1.00 0.00 C ATOM 1442 CD LYS A 91 8.047 -0.101 -5.720 1.00 0.00 C ATOM 1443 CE LYS A 91 6.972 -0.192 -6.810 1.00 0.00 C ATOM 1444 NZ LYS A 91 5.811 0.685 -6.499 1.00 0.00 N ATOM 0 H LYS A 91 10.062 -4.194 -4.291 1.00 0.00 H new ATOM 0 HA LYS A 91 8.971 -1.776 -3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.150 -3.375 -5.779 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.542 -2.699 -5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.989 -0.935 -5.282 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.389 -1.331 -6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.572 -0.151 -4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.545 0.867 -5.784 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.400 0.095 -7.771 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.635 -1.224 -6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.093 0.589 -7.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.400 0.406 -5.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.127 1.674 -6.448 1.00 0.00 H new ATOM 1458 N ILE A 92 6.596 -1.994 -2.750 1.00 0.00 N ATOM 1459 CA ILE A 92 5.187 -2.020 -2.315 1.00 0.00 C ATOM 1460 C ILE A 92 4.332 -1.083 -3.186 1.00 0.00 C ATOM 1461 O ILE A 92 4.861 -0.305 -3.983 1.00 0.00 O ATOM 1462 CB ILE A 92 5.053 -1.734 -0.793 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.217 -0.234 -0.476 1.00 0.00 C ATOM 1464 CG2 ILE A 92 6.005 -2.628 0.020 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.363 0.135 1.004 1.00 0.00 C ATOM 0 H ILE A 92 6.994 -1.056 -2.719 1.00 0.00 H new ATOM 0 HA ILE A 92 4.797 -3.027 -2.462 1.00 0.00 H new ATOM 0 HB ILE A 92 4.040 -1.993 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.094 0.134 -1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.354 0.297 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.892 -2.409 1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.764 -3.675 -0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.034 -2.434 -0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.471 1.215 1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.477 -0.191 1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.244 -0.356 1.416 1.00 0.00 H new ATOM 1477 N LYS A 93 3.010 -1.152 -3.035 1.00 0.00 N ATOM 1478 CA LYS A 93 2.041 -0.296 -3.736 1.00 0.00 C ATOM 1479 C LYS A 93 0.702 -0.159 -2.985 1.00 0.00 C ATOM 1480 O LYS A 93 0.396 -0.966 -2.102 1.00 0.00 O ATOM 1481 CB LYS A 93 1.815 -0.816 -5.177 1.00 0.00 C ATOM 1482 CG LYS A 93 1.074 -2.164 -5.225 1.00 0.00 C ATOM 1483 CD LYS A 93 0.640 -2.534 -6.647 1.00 0.00 C ATOM 1484 CE LYS A 93 -0.093 -3.883 -6.633 1.00 0.00 C ATOM 1485 NZ LYS A 93 -0.984 -4.036 -7.807 1.00 0.00 N ATOM 0 H LYS A 93 2.567 -1.821 -2.406 1.00 0.00 H new ATOM 0 HA LYS A 93 2.471 0.705 -3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.246 -0.075 -5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.779 -0.921 -5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.721 -2.947 -4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.197 -2.118 -4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.012 -1.760 -7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.511 -2.590 -7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.636 -4.693 -6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.679 -3.969 -5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.248 -5.036 -7.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.842 -3.464 -7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.488 -3.715 -8.663 1.00 0.00 H new ATOM 1499 N ARG A 94 -0.111 0.822 -3.397 1.00 0.00 N ATOM 1500 CA ARG A 94 -1.522 0.984 -3.009 1.00 0.00 C ATOM 1501 C ARG A 94 -2.451 0.548 -4.151 1.00 0.00 C ATOM 1502 O ARG A 94 -2.107 0.668 -5.329 1.00 0.00 O ATOM 1503 CB ARG A 94 -1.830 2.445 -2.645 1.00 0.00 C ATOM 1504 CG ARG A 94 -1.244 2.845 -1.286 1.00 0.00 C ATOM 1505 CD ARG A 94 -1.635 4.272 -0.865 1.00 0.00 C ATOM 1506 NE ARG A 94 -3.070 4.393 -0.543 1.00 0.00 N ATOM 1507 CZ ARG A 94 -4.028 4.918 -1.295 1.00 0.00 C ATOM 1508 NH1 ARG A 94 -3.810 5.373 -2.513 1.00 0.00 N ATOM 1509 NH2 ARG A 94 -5.247 4.991 -0.816 1.00 0.00 N ATOM 0 H ARG A 94 0.206 1.553 -4.034 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.695 0.354 -2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.429 3.101 -3.418 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.910 2.593 -2.630 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.585 2.141 -0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.157 2.768 -1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.045 4.566 0.003 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.387 4.965 -1.668 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.359 4.030 0.365 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.873 5.329 -2.914 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.578 5.769 -3.055 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.447 4.647 0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.994 5.392 -1.382 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.651 0.100 -3.797 1.00 0.00 N ATOM 1524 CA ASP A 95 -4.757 -0.234 -4.702 1.00 0.00 C ATOM 1525 C ASP A 95 -6.117 -0.002 -4.018 1.00 0.00 C ATOM 1526 O ASP A 95 -6.196 0.211 -2.807 1.00 0.00 O ATOM 1527 CB ASP A 95 -4.613 -1.687 -5.211 1.00 0.00 C ATOM 1528 CG ASP A 95 -4.169 -1.754 -6.680 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -4.899 -1.213 -7.546 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -3.119 -2.377 -6.972 1.00 0.00 O ATOM 0 H ASP A 95 -3.896 -0.050 -2.818 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.714 0.429 -5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.889 -2.216 -4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -5.566 -2.204 -5.099 1.00 0.00 H new ATOM 1535 N ILE A 96 -7.199 -0.041 -4.801 1.00 0.00 N ATOM 1536 CA ILE A 96 -8.587 0.164 -4.353 1.00 0.00 C ATOM 1537 C ILE A 96 -9.425 -1.051 -4.751 1.00 0.00 C ATOM 1538 O ILE A 96 -9.351 -1.537 -5.882 1.00 0.00 O ATOM 1539 CB ILE A 96 -9.184 1.457 -4.960 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -8.330 2.703 -4.653 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -10.633 1.679 -4.472 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -8.328 3.088 -3.175 1.00 0.00 C ATOM 0 H ILE A 96 -7.134 -0.223 -5.803 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.597 0.276 -3.269 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.186 1.318 -6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.305 2.520 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.703 3.543 -5.239 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -11.029 2.594 -4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.252 0.834 -4.773 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.642 1.767 -3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.708 3.973 -3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.347 3.303 -2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.928 2.264 -2.585 1.00 0.00 H new ATOM 1554 N ILE A 97 -10.236 -1.528 -3.813 1.00 0.00 N ATOM 1555 CA ILE A 97 -11.193 -2.627 -4.039 1.00 0.00 C ATOM 1556 C ILE A 97 -12.513 -2.086 -4.609 1.00 0.00 C ATOM 1557 O ILE A 97 -13.009 -1.051 -4.163 1.00 0.00 O ATOM 1558 CB ILE A 97 -11.450 -3.420 -2.745 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -10.170 -4.024 -2.144 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -12.480 -4.534 -2.989 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.453 -3.067 -1.189 1.00 0.00 C ATOM 0 H ILE A 97 -10.254 -1.164 -2.860 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.752 -3.308 -4.767 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.841 -2.704 -2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.422 -4.941 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.491 -4.301 -2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.648 -5.083 -2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.419 -4.094 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -12.105 -5.216 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.557 -3.548 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.173 -2.160 -1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.118 -2.810 -0.364 1.00 0.00 H new ATOM 1573 N ASP A 98 -13.109 -2.824 -5.550 1.00 0.00 N ATOM 1574 CA ASP A 98 -14.362 -2.447 -6.221 1.00 0.00 C ATOM 1575 C ASP A 98 -15.633 -3.128 -5.665 1.00 0.00 C ATOM 1576 O ASP A 98 -16.723 -2.578 -5.813 1.00 0.00 O ATOM 1577 CB ASP A 98 -14.203 -2.688 -7.730 1.00 0.00 C ATOM 1578 CG ASP A 98 -15.383 -2.146 -8.559 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -15.606 -0.912 -8.561 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -16.054 -2.955 -9.245 1.00 0.00 O ATOM 0 H ASP A 98 -12.731 -3.714 -5.874 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.527 -1.389 -6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.281 -2.217 -8.071 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.101 -3.758 -7.912 1.00 0.00 H new ATOM 1585 N ILE A 99 -15.475 -4.279 -4.989 1.00 0.00 N ATOM 1586 CA ILE A 99 -16.499 -5.099 -4.292 1.00 0.00 C ATOM 1587 C ILE A 99 -17.376 -5.908 -5.290 1.00 0.00 C ATOM 1588 O ILE A 99 -17.931 -5.325 -6.229 1.00 0.00 O ATOM 1589 CB ILE A 99 -17.359 -4.266 -3.298 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.520 -3.429 -2.299 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -18.367 -5.134 -2.525 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.728 -4.243 -1.266 1.00 0.00 C ATOM 0 H ILE A 99 -14.551 -4.702 -4.905 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.953 -5.824 -3.689 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.906 -3.568 -3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.822 -2.812 -2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -17.188 -2.750 -1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.942 -4.505 -1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -19.043 -5.621 -3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.831 -5.892 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -15.175 -3.565 -0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.416 -4.840 -0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -15.029 -4.902 -1.781 1.00 0.00 H new