USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 864 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 120 SER OG : rot 60:sc= 0.403 USER MOD Set 1.2: A 124 GLN : amide:sc=-0.00933 K(o=0.39,f=-2.5!) USER MOD Set 2.1: A 74 ASN : amide:sc= 0.849 K(o=1.4,f=-3.5!) USER MOD Set 2.2: A 76 SER OG : rot 87:sc= 0.569 USER MOD Set 3.1: A 69 ASN : amide:sc= -1.39! C(o=-2.3!,f=-5.9!) USER MOD Set 3.2: A 77 GLN : amide:sc= -0.898 K(o=-2.3,f=-12!) USER MOD Set 4.1: A 36 HIS : no HD1:sc= -1.77 K(o=-3.8,f=-7.7!) USER MOD Set 4.2: A 55 GLN : amide:sc= -2.01 K(o=-3.8,f=-3) USER MOD Single : A 19 GLN : amide:sc= -0.0886 K(o=-0.089,f=-2.3!) USER MOD Single : A 20 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.503) USER MOD Single : A 23 TYR OH : rot 165:sc= -0.509 USER MOD Single : A 24 THR OG1 : rot 68:sc= 1.01 USER MOD Single : A 28 ASN : amide:sc= -5.59! C(o=-5.6!,f=-5.7!) USER MOD Single : A 29 HIS : no HD1:sc=-0.00836 X(o=-0.0084,f=-0.16) USER MOD Single : A 30 TYR OH : rot -150:sc= -0.132 USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.028 (180deg=-0.231) USER MOD Single : A 34 SER OG : rot -53:sc= 0.211 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -6.16! C(o=-6.2!,f=-5.2!) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 48 THR OG1 : rot 65:sc= 0.085 USER MOD Single : A 58 GLN : amide:sc= -0.788 K(o=-0.79,f=-2.5) USER MOD Single : A 62 ASN : amide:sc= -0.788 X(o=-0.79,f=-0.4) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -134:sc= -1.46 (180deg=-4.89!) USER MOD Single : A 81 ASN : amide:sc= -2.17 K(o=-2.2,f=-8.7!) USER MOD Single : A 85 CYS SG : rot 67:sc= 0.0366 USER MOD Single : A 87 ASN : amide:sc= 0.616 K(o=0.62,f=-0.44) USER MOD Single : A 92 LYS NZ :NH3+ -164:sc= 0.236 (180deg=0.0046) USER MOD Single : A 100 SER OG : rot 21:sc= 0.603 USER MOD Single : A 106 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.11) USER MOD Single : A 108 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.3!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot -77:sc= 0.307 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N GLY A 15 1.859 17.188 -5.106 1.00 0.00 N ATOM 202 CA GLY A 15 0.982 17.444 -3.978 1.00 0.00 C ATOM 203 C GLY A 15 0.497 16.167 -3.320 1.00 0.00 C ATOM 204 O GLY A 15 0.408 15.122 -3.966 1.00 0.00 O ATOM 0 HA2 GLY A 15 1.509 18.051 -3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.123 18.025 -4.314 1.00 0.00 H new ATOM 208 N LEU A 16 0.185 16.250 -2.032 1.00 0.00 N ATOM 209 CA LEU A 16 -0.292 15.091 -1.284 1.00 0.00 C ATOM 210 C LEU A 16 -1.201 14.222 -2.148 1.00 0.00 C ATOM 211 O LEU A 16 -1.035 13.005 -2.210 1.00 0.00 O ATOM 212 CB LEU A 16 -1.042 15.542 -0.030 1.00 0.00 C ATOM 213 CG LEU A 16 -0.248 16.403 0.954 1.00 0.00 C ATOM 214 CD1 LEU A 16 -1.167 16.983 2.018 1.00 0.00 C ATOM 215 CD2 LEU A 16 0.867 15.590 1.595 1.00 0.00 C ATOM 0 H LEU A 16 0.253 17.107 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 16 0.574 14.499 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.925 16.101 -0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.395 14.655 0.497 1.00 0.00 H new ATOM 0 HG LEU A 16 0.202 17.229 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.585 17.592 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.929 17.601 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.647 16.172 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.421 16.219 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.438 14.744 2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.542 15.224 0.821 1.00 0.00 H new ATOM 227 N GLU A 17 -2.159 14.857 -2.816 1.00 0.00 N ATOM 228 CA GLU A 17 -3.092 14.141 -3.678 1.00 0.00 C ATOM 229 C GLU A 17 -2.368 13.530 -4.874 1.00 0.00 C ATOM 230 O GLU A 17 -2.697 12.429 -5.316 1.00 0.00 O ATOM 231 CB GLU A 17 -4.198 15.081 -4.162 1.00 0.00 C ATOM 232 CG GLU A 17 -5.104 15.580 -3.049 1.00 0.00 C ATOM 233 CD GLU A 17 -6.021 14.497 -2.515 1.00 0.00 C ATOM 234 OE1 GLU A 17 -6.790 13.922 -3.314 1.00 0.00 O ATOM 235 OE2 GLU A 17 -5.970 14.224 -1.297 1.00 0.00 O ATOM 0 H GLU A 17 -2.309 15.865 -2.777 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.540 13.335 -3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.743 15.937 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.803 14.563 -4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.493 15.968 -2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.705 16.410 -3.420 1.00 0.00 H new ATOM 242 N ASP A 18 -1.383 14.254 -5.394 1.00 0.00 N ATOM 243 CA ASP A 18 -0.611 13.784 -6.539 1.00 0.00 C ATOM 244 C ASP A 18 0.133 12.496 -6.202 1.00 0.00 C ATOM 245 O ASP A 18 0.239 11.594 -7.032 1.00 0.00 O ATOM 246 CB ASP A 18 0.381 14.858 -6.988 1.00 0.00 C ATOM 247 CG ASP A 18 -0.207 15.790 -8.029 1.00 0.00 C ATOM 248 OD1 ASP A 18 -1.390 16.168 -7.888 1.00 0.00 O ATOM 249 OD2 ASP A 18 0.515 16.144 -8.984 1.00 0.00 O ATOM 0 H ASP A 18 -1.100 15.168 -5.041 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.305 13.578 -7.354 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.699 15.439 -6.123 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.271 14.379 -7.395 1.00 0.00 H new ATOM 254 N GLN A 19 0.646 12.418 -4.978 1.00 0.00 N ATOM 255 CA GLN A 19 1.382 11.241 -4.533 1.00 0.00 C ATOM 256 C GLN A 19 0.512 9.991 -4.616 1.00 0.00 C ATOM 257 O GLN A 19 0.909 8.983 -5.201 1.00 0.00 O ATOM 258 CB GLN A 19 1.878 11.436 -3.099 1.00 0.00 C ATOM 259 CG GLN A 19 2.826 12.614 -2.938 1.00 0.00 C ATOM 260 CD GLN A 19 3.525 12.621 -1.593 1.00 0.00 C ATOM 261 OE1 GLN A 19 2.945 12.237 -0.577 1.00 0.00 O ATOM 262 NE2 GLN A 19 4.779 13.059 -1.579 1.00 0.00 N ATOM 0 H GLN A 19 0.565 13.155 -4.278 1.00 0.00 H new ATOM 0 HA GLN A 19 2.240 11.109 -5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.020 11.579 -2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.382 10.527 -2.771 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.573 12.585 -3.731 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.269 13.543 -3.058 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.221 13.368 -2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.300 13.086 -0.702 1.00 0.00 H new ATOM 271 N LYS A 20 -0.677 10.064 -4.027 1.00 0.00 N ATOM 272 CA LYS A 20 -1.605 8.939 -4.035 1.00 0.00 C ATOM 273 C LYS A 20 -1.495 8.152 -5.337 1.00 0.00 C ATOM 274 O LYS A 20 -1.363 6.928 -5.324 1.00 0.00 O ATOM 275 CB LYS A 20 -3.041 9.435 -3.847 1.00 0.00 C ATOM 276 CG LYS A 20 -4.090 8.362 -4.083 1.00 0.00 C ATOM 277 CD LYS A 20 -5.431 8.969 -4.463 1.00 0.00 C ATOM 278 CE LYS A 20 -6.563 7.966 -4.297 1.00 0.00 C ATOM 279 NZ LYS A 20 -7.862 8.512 -4.779 1.00 0.00 N ATOM 0 H LYS A 20 -1.021 10.891 -3.538 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.343 8.279 -3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.153 9.824 -2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.222 10.265 -4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.755 7.692 -4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.204 7.759 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.625 9.844 -3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.396 9.313 -5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.325 7.055 -4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.652 7.690 -3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.643 8.040 -4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.900 9.534 -4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.951 8.344 -5.801 1.00 0.00 H new ATOM 293 N ARG A 21 -1.547 8.862 -6.459 1.00 0.00 N ATOM 294 CA ARG A 21 -1.453 8.229 -7.769 1.00 0.00 C ATOM 295 C ARG A 21 -0.155 7.438 -7.899 1.00 0.00 C ATOM 296 O ARG A 21 -0.174 6.221 -8.084 1.00 0.00 O ATOM 297 CB ARG A 21 -1.533 9.283 -8.875 1.00 0.00 C ATOM 298 CG ARG A 21 -1.768 8.698 -10.258 1.00 0.00 C ATOM 299 CD ARG A 21 -2.526 9.667 -11.152 1.00 0.00 C ATOM 300 NE ARG A 21 -2.636 9.176 -12.523 1.00 0.00 N ATOM 301 CZ ARG A 21 -3.510 9.647 -13.405 1.00 0.00 C ATOM 302 NH1 ARG A 21 -4.347 10.617 -13.061 1.00 0.00 N ATOM 303 NH2 ARG A 21 -3.549 9.149 -14.634 1.00 0.00 N ATOM 0 H ARG A 21 -1.654 9.876 -6.487 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.291 7.539 -7.872 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.338 9.980 -8.643 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.607 9.858 -8.885 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.811 8.451 -10.717 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.329 7.768 -10.170 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.524 9.831 -10.745 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.019 10.632 -11.152 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.007 8.430 -12.820 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.320 11.003 -12.117 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.017 10.977 -13.740 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.907 8.403 -14.903 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.221 9.512 -15.310 1.00 0.00 H new ATOM 317 N ILE A 22 0.971 8.138 -7.800 1.00 0.00 N ATOM 318 CA ILE A 22 2.277 7.501 -7.906 1.00 0.00 C ATOM 319 C ILE A 22 2.266 6.115 -7.271 1.00 0.00 C ATOM 320 O ILE A 22 2.797 5.158 -7.835 1.00 0.00 O ATOM 321 CB ILE A 22 3.374 8.351 -7.237 1.00 0.00 C ATOM 322 CG1 ILE A 22 3.483 9.714 -7.924 1.00 0.00 C ATOM 323 CG2 ILE A 22 4.708 7.622 -7.278 1.00 0.00 C ATOM 324 CD1 ILE A 22 4.287 10.725 -7.136 1.00 0.00 C ATOM 0 H ILE A 22 1.004 9.146 -7.647 1.00 0.00 H new ATOM 0 HA ILE A 22 2.498 7.409 -8.969 1.00 0.00 H new ATOM 0 HB ILE A 22 3.103 8.512 -6.194 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.941 9.582 -8.904 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.481 10.109 -8.091 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.473 8.235 -6.802 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.621 6.674 -6.748 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.988 7.433 -8.314 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.322 11.667 -7.683 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.818 10.886 -6.165 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.301 10.351 -6.992 1.00 0.00 H new ATOM 336 N TYR A 23 1.656 6.014 -6.095 1.00 0.00 N ATOM 337 CA TYR A 23 1.576 4.744 -5.383 1.00 0.00 C ATOM 338 C TYR A 23 0.536 3.827 -6.019 1.00 0.00 C ATOM 339 O TYR A 23 0.811 2.661 -6.305 1.00 0.00 O ATOM 340 CB TYR A 23 1.230 4.982 -3.912 1.00 0.00 C ATOM 341 CG TYR A 23 2.257 5.811 -3.174 1.00 0.00 C ATOM 342 CD1 TYR A 23 3.612 5.513 -3.262 1.00 0.00 C ATOM 343 CD2 TYR A 23 1.874 6.891 -2.389 1.00 0.00 C ATOM 344 CE1 TYR A 23 4.554 6.267 -2.590 1.00 0.00 C ATOM 345 CE2 TYR A 23 2.809 7.652 -1.715 1.00 0.00 C ATOM 346 CZ TYR A 23 4.148 7.336 -1.818 1.00 0.00 C ATOM 347 OH TYR A 23 5.083 8.090 -1.146 1.00 0.00 O ATOM 0 H TYR A 23 1.210 6.796 -5.615 1.00 0.00 H new ATOM 0 HA TYR A 23 2.550 4.258 -5.447 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.262 5.480 -3.851 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.125 4.019 -3.412 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.934 4.678 -3.866 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.827 7.140 -2.304 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.603 6.021 -2.668 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.494 8.490 -1.111 1.00 0.00 H new ATOM 0 HH TYR A 23 4.674 8.930 -0.850 1.00 0.00 H new ATOM 357 N THR A 24 -0.660 4.363 -6.240 1.00 0.00 N ATOM 358 CA THR A 24 -1.743 3.595 -6.842 1.00 0.00 C ATOM 359 C THR A 24 -1.228 2.717 -7.977 1.00 0.00 C ATOM 360 O THR A 24 -1.576 1.540 -8.071 1.00 0.00 O ATOM 361 CB THR A 24 -2.852 4.516 -7.382 1.00 0.00 C ATOM 362 OG1 THR A 24 -3.416 5.284 -6.313 1.00 0.00 O ATOM 363 CG2 THR A 24 -3.945 3.705 -8.062 1.00 0.00 C ATOM 0 H THR A 24 -0.903 5.327 -6.011 1.00 0.00 H new ATOM 0 HA THR A 24 -2.158 2.963 -6.057 1.00 0.00 H new ATOM 0 HB THR A 24 -2.409 5.188 -8.117 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.748 5.918 -5.978 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.718 4.377 -8.436 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.518 3.145 -8.894 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.383 3.011 -7.344 1.00 0.00 H new ATOM 371 N ASP A 25 -0.398 3.297 -8.837 1.00 0.00 N ATOM 372 CA ASP A 25 0.166 2.566 -9.966 1.00 0.00 C ATOM 373 C ASP A 25 1.149 1.502 -9.488 1.00 0.00 C ATOM 374 O ASP A 25 1.209 0.405 -10.043 1.00 0.00 O ATOM 375 CB ASP A 25 0.865 3.529 -10.927 1.00 0.00 C ATOM 376 CG ASP A 25 1.351 2.840 -12.186 1.00 0.00 C ATOM 377 OD1 ASP A 25 2.095 1.843 -12.068 1.00 0.00 O ATOM 378 OD2 ASP A 25 0.988 3.297 -13.290 1.00 0.00 O ATOM 0 H ASP A 25 -0.101 4.271 -8.774 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.651 2.071 -10.491 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.177 4.330 -11.197 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.711 3.993 -10.420 1.00 0.00 H new ATOM 383 N TRP A 26 1.917 1.834 -8.458 1.00 0.00 N ATOM 384 CA TRP A 26 2.899 0.907 -7.906 1.00 0.00 C ATOM 385 C TRP A 26 2.241 -0.411 -7.512 1.00 0.00 C ATOM 386 O TRP A 26 2.623 -1.475 -7.999 1.00 0.00 O ATOM 387 CB TRP A 26 3.592 1.529 -6.692 1.00 0.00 C ATOM 388 CG TRP A 26 4.737 0.709 -6.178 1.00 0.00 C ATOM 389 CD1 TRP A 26 5.939 0.504 -6.793 1.00 0.00 C ATOM 390 CD2 TRP A 26 4.786 -0.015 -4.944 1.00 0.00 C ATOM 391 NE1 TRP A 26 6.732 -0.305 -6.016 1.00 0.00 N ATOM 392 CE2 TRP A 26 6.049 -0.636 -4.876 1.00 0.00 C ATOM 393 CE3 TRP A 26 3.888 -0.198 -3.889 1.00 0.00 C ATOM 394 CZ2 TRP A 26 6.432 -1.426 -3.795 1.00 0.00 C ATOM 395 CZ3 TRP A 26 4.270 -0.983 -2.818 1.00 0.00 C ATOM 396 CH2 TRP A 26 5.533 -1.588 -2.777 1.00 0.00 C ATOM 0 H TRP A 26 1.879 2.738 -7.987 1.00 0.00 H new ATOM 0 HA TRP A 26 3.644 0.704 -8.676 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.956 2.521 -6.959 1.00 0.00 H new ATOM 0 HB3 TRP A 26 2.862 1.661 -5.894 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.224 0.917 -7.749 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.677 -0.610 -6.250 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.913 0.266 -3.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.405 -1.894 -3.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.583 -1.133 -1.998 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.802 -2.194 -1.925 1.00 0.00 H new ATOM 407 N ALA A 27 1.252 -0.333 -6.629 1.00 0.00 N ATOM 408 CA ALA A 27 0.540 -1.520 -6.172 1.00 0.00 C ATOM 409 C ALA A 27 -0.149 -2.228 -7.333 1.00 0.00 C ATOM 410 O ALA A 27 0.062 -3.418 -7.561 1.00 0.00 O ATOM 411 CB ALA A 27 -0.474 -1.148 -5.101 1.00 0.00 C ATOM 0 H ALA A 27 0.925 0.540 -6.215 1.00 0.00 H new ATOM 0 HA ALA A 27 1.269 -2.208 -5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.998 -2.044 -4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.041 -0.694 -4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.193 -0.438 -5.511 1.00 0.00 H new ATOM 417 N ASN A 28 -0.976 -1.487 -8.065 1.00 0.00 N ATOM 418 CA ASN A 28 -1.698 -2.045 -9.203 1.00 0.00 C ATOM 419 C ASN A 28 -0.857 -3.099 -9.916 1.00 0.00 C ATOM 420 O ASN A 28 -1.315 -4.217 -10.154 1.00 0.00 O ATOM 421 CB ASN A 28 -2.083 -0.935 -10.183 1.00 0.00 C ATOM 422 CG ASN A 28 -3.423 -0.308 -9.850 1.00 0.00 C ATOM 423 OD1 ASN A 28 -4.314 -0.236 -10.696 1.00 0.00 O ATOM 424 ND2 ASN A 28 -3.572 0.147 -8.611 1.00 0.00 N ATOM 0 H ASN A 28 -1.162 -0.500 -7.890 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.605 -2.521 -8.829 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.312 -0.164 -10.175 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.117 -1.342 -11.194 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.453 0.577 -8.328 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.806 0.066 -7.942 1.00 0.00 H new ATOM 431 N HIS A 29 0.376 -2.736 -10.255 1.00 0.00 N ATOM 432 CA HIS A 29 1.281 -3.651 -10.941 1.00 0.00 C ATOM 433 C HIS A 29 1.303 -5.012 -10.252 1.00 0.00 C ATOM 434 O HIS A 29 1.113 -6.046 -10.892 1.00 0.00 O ATOM 435 CB HIS A 29 2.693 -3.067 -10.985 1.00 0.00 C ATOM 436 CG HIS A 29 3.751 -4.079 -11.304 1.00 0.00 C ATOM 437 ND1 HIS A 29 3.665 -4.945 -12.373 1.00 0.00 N ATOM 438 CD2 HIS A 29 4.923 -4.359 -10.687 1.00 0.00 C ATOM 439 CE1 HIS A 29 4.738 -5.715 -12.400 1.00 0.00 C ATOM 440 NE2 HIS A 29 5.518 -5.379 -11.387 1.00 0.00 N ATOM 0 H HIS A 29 0.771 -1.815 -10.066 1.00 0.00 H new ATOM 0 HA HIS A 29 0.919 -3.785 -11.960 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.725 -2.272 -11.730 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.918 -2.610 -10.022 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.317 -3.871 -9.808 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.943 -6.488 -13.126 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.416 -5.808 -11.162 1.00 0.00 H new ATOM 449 N TYR A 30 1.535 -5.004 -8.944 1.00 0.00 N ATOM 450 CA TYR A 30 1.584 -6.238 -8.169 1.00 0.00 C ATOM 451 C TYR A 30 0.251 -6.977 -8.236 1.00 0.00 C ATOM 452 O TYR A 30 0.213 -8.204 -8.338 1.00 0.00 O ATOM 453 CB TYR A 30 1.939 -5.935 -6.712 1.00 0.00 C ATOM 454 CG TYR A 30 3.355 -5.440 -6.524 1.00 0.00 C ATOM 455 CD1 TYR A 30 4.435 -6.309 -6.621 1.00 0.00 C ATOM 456 CD2 TYR A 30 3.614 -4.103 -6.248 1.00 0.00 C ATOM 457 CE1 TYR A 30 5.730 -5.861 -6.449 1.00 0.00 C ATOM 458 CE2 TYR A 30 4.906 -3.646 -6.076 1.00 0.00 C ATOM 459 CZ TYR A 30 5.961 -4.529 -6.178 1.00 0.00 C ATOM 460 OH TYR A 30 7.249 -4.078 -6.006 1.00 0.00 O ATOM 0 H TYR A 30 1.692 -4.157 -8.398 1.00 0.00 H new ATOM 0 HA TYR A 30 2.355 -6.877 -8.599 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.247 -5.186 -6.326 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.796 -6.837 -6.117 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.259 -7.353 -6.835 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.791 -3.409 -6.167 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.558 -6.551 -6.526 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.089 -2.603 -5.863 1.00 0.00 H new ATOM 0 HH TYR A 30 7.250 -3.318 -5.388 1.00 0.00 H new ATOM 470 N LEU A 31 -0.840 -6.222 -8.180 1.00 0.00 N ATOM 471 CA LEU A 31 -2.177 -6.804 -8.235 1.00 0.00 C ATOM 472 C LEU A 31 -2.437 -7.442 -9.596 1.00 0.00 C ATOM 473 O LEU A 31 -3.198 -8.403 -9.707 1.00 0.00 O ATOM 474 CB LEU A 31 -3.232 -5.734 -7.951 1.00 0.00 C ATOM 475 CG LEU A 31 -3.580 -5.508 -6.480 1.00 0.00 C ATOM 476 CD1 LEU A 31 -4.743 -4.537 -6.349 1.00 0.00 C ATOM 477 CD2 LEU A 31 -3.907 -6.829 -5.800 1.00 0.00 C ATOM 0 H LEU A 31 -0.826 -5.206 -8.097 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.241 -7.580 -7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.885 -4.790 -8.371 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.145 -6.003 -8.482 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.712 -5.072 -5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.976 -4.389 -5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.472 -3.582 -6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.616 -4.944 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.152 -6.649 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.759 -7.293 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.045 -7.493 -5.861 1.00 0.00 H new ATOM 489 N ALA A 32 -1.797 -6.903 -10.629 1.00 0.00 N ATOM 490 CA ALA A 32 -1.956 -7.422 -11.982 1.00 0.00 C ATOM 491 C ALA A 32 -1.090 -8.658 -12.200 1.00 0.00 C ATOM 492 O ALA A 32 -1.575 -9.699 -12.645 1.00 0.00 O ATOM 493 CB ALA A 32 -1.613 -6.348 -13.003 1.00 0.00 C ATOM 0 H ALA A 32 -1.164 -6.107 -10.554 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.998 -7.713 -12.114 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.736 -6.750 -14.009 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.277 -5.494 -12.870 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.580 -6.030 -12.863 1.00 0.00 H new ATOM 499 N LYS A 33 0.195 -8.537 -11.885 1.00 0.00 N ATOM 500 CA LYS A 33 1.131 -9.644 -12.046 1.00 0.00 C ATOM 501 C LYS A 33 0.666 -10.868 -11.262 1.00 0.00 C ATOM 502 O LYS A 33 0.861 -12.004 -11.693 1.00 0.00 O ATOM 503 CB LYS A 33 2.529 -9.230 -11.583 1.00 0.00 C ATOM 504 CG LYS A 33 2.709 -9.278 -10.075 1.00 0.00 C ATOM 505 CD LYS A 33 4.077 -8.762 -9.661 1.00 0.00 C ATOM 506 CE LYS A 33 5.135 -9.851 -9.754 1.00 0.00 C ATOM 507 NZ LYS A 33 4.956 -10.890 -8.702 1.00 0.00 N ATOM 0 H LYS A 33 0.613 -7.683 -11.516 1.00 0.00 H new ATOM 0 HA LYS A 33 1.168 -9.904 -13.104 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.266 -9.884 -12.050 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.734 -8.218 -11.933 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.933 -8.681 -9.596 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.584 -10.303 -9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.359 -7.924 -10.298 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.031 -8.384 -8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.089 -10.319 -10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.125 -9.405 -9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.837 -11.432 -8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.721 -10.432 -7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.185 -11.532 -8.976 1.00 0.00 H new ATOM 521 N SER A 34 0.048 -10.627 -10.110 1.00 0.00 N ATOM 522 CA SER A 34 -0.442 -11.709 -9.265 1.00 0.00 C ATOM 523 C SER A 34 -1.824 -12.169 -9.720 1.00 0.00 C ATOM 524 O SER A 34 -2.620 -12.663 -8.922 1.00 0.00 O ATOM 525 CB SER A 34 -0.497 -11.259 -7.804 1.00 0.00 C ATOM 526 OG SER A 34 -0.607 -12.371 -6.932 1.00 0.00 O ATOM 0 H SER A 34 -0.125 -9.692 -9.741 1.00 0.00 H new ATOM 0 HA SER A 34 0.249 -12.548 -9.353 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.400 -10.690 -7.561 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.347 -10.592 -7.657 1.00 0.00 H new ATOM 0 HG SER A 34 -1.360 -12.933 -7.212 1.00 0.00 H new ATOM 532 N GLY A 35 -2.102 -12.003 -11.009 1.00 0.00 N ATOM 533 CA GLY A 35 -3.388 -12.405 -11.549 1.00 0.00 C ATOM 534 C GLY A 35 -4.538 -12.064 -10.622 1.00 0.00 C ATOM 535 O GLY A 35 -5.147 -12.951 -10.023 1.00 0.00 O ATOM 0 H GLY A 35 -1.460 -11.597 -11.690 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.544 -11.916 -12.511 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.381 -13.479 -11.735 1.00 0.00 H new ATOM 539 N HIS A 36 -4.836 -10.774 -10.502 1.00 0.00 N ATOM 540 CA HIS A 36 -5.921 -10.317 -9.640 1.00 0.00 C ATOM 541 C HIS A 36 -7.016 -9.639 -10.458 1.00 0.00 C ATOM 542 O HIS A 36 -6.733 -8.864 -11.372 1.00 0.00 O ATOM 543 CB HIS A 36 -5.387 -9.351 -8.582 1.00 0.00 C ATOM 544 CG HIS A 36 -6.198 -9.334 -7.323 1.00 0.00 C ATOM 545 ND1 HIS A 36 -7.152 -8.375 -7.055 1.00 0.00 N ATOM 546 CD2 HIS A 36 -6.195 -10.167 -6.256 1.00 0.00 C ATOM 547 CE1 HIS A 36 -7.699 -8.618 -5.878 1.00 0.00 C ATOM 548 NE2 HIS A 36 -7.137 -9.701 -5.372 1.00 0.00 N ATOM 0 H HIS A 36 -4.342 -10.027 -10.990 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.349 -11.188 -9.144 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.360 -9.623 -8.339 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.360 -8.345 -9.001 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.568 -11.037 -6.124 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.474 -8.031 -5.409 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.365 -10.122 -4.472 1.00 0.00 H new ATOM 557 N LYS A 37 -8.267 -9.937 -10.124 1.00 0.00 N ATOM 558 CA LYS A 37 -9.405 -9.356 -10.827 1.00 0.00 C ATOM 559 C LYS A 37 -9.913 -8.112 -10.106 1.00 0.00 C ATOM 560 O LYS A 37 -11.117 -7.946 -9.907 1.00 0.00 O ATOM 561 CB LYS A 37 -10.533 -10.384 -10.949 1.00 0.00 C ATOM 562 CG LYS A 37 -11.145 -10.777 -9.615 1.00 0.00 C ATOM 563 CD LYS A 37 -12.593 -11.211 -9.772 1.00 0.00 C ATOM 564 CE LYS A 37 -12.702 -12.707 -10.023 1.00 0.00 C ATOM 565 NZ LYS A 37 -14.117 -13.171 -10.002 1.00 0.00 N ATOM 0 H LYS A 37 -8.519 -10.577 -9.371 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.075 -9.066 -11.825 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.314 -9.979 -11.592 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.147 -11.278 -11.440 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.567 -11.589 -9.173 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.089 -9.934 -8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.152 -10.950 -8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.049 -10.668 -10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.255 -12.947 -10.988 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.132 -13.245 -9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.149 -14.196 -10.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.536 -12.965 -9.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.655 -12.677 -10.742 1.00 0.00 H new ATOM 579 N ARG A 38 -8.988 -7.240 -9.718 1.00 0.00 N ATOM 580 CA ARG A 38 -9.343 -6.010 -9.019 1.00 0.00 C ATOM 581 C ARG A 38 -8.118 -5.120 -8.830 1.00 0.00 C ATOM 582 O ARG A 38 -7.024 -5.604 -8.539 1.00 0.00 O ATOM 583 CB ARG A 38 -9.967 -6.333 -7.660 1.00 0.00 C ATOM 584 CG ARG A 38 -10.161 -5.113 -6.774 1.00 0.00 C ATOM 585 CD ARG A 38 -10.651 -5.503 -5.389 1.00 0.00 C ATOM 586 NE ARG A 38 -12.070 -5.850 -5.388 1.00 0.00 N ATOM 587 CZ ARG A 38 -13.046 -4.952 -5.306 1.00 0.00 C ATOM 588 NH1 ARG A 38 -12.757 -3.660 -5.221 1.00 0.00 N ATOM 589 NH2 ARG A 38 -14.313 -5.345 -5.311 1.00 0.00 N ATOM 0 H ARG A 38 -7.988 -7.362 -9.876 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.071 -5.473 -9.627 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.932 -6.814 -7.818 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.334 -7.052 -7.140 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.219 -4.571 -6.689 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.878 -4.436 -7.238 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.070 -6.350 -5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.479 -4.678 -4.698 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.326 -6.835 -5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.784 -3.354 -5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.508 -2.973 -5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.539 -6.337 -5.378 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.061 -4.655 -5.248 1.00 0.00 H new ATOM 603 N LEU A 39 -8.310 -3.816 -8.998 1.00 0.00 N ATOM 604 CA LEU A 39 -7.221 -2.857 -8.846 1.00 0.00 C ATOM 605 C LEU A 39 -7.500 -1.894 -7.697 1.00 0.00 C ATOM 606 O LEU A 39 -8.489 -2.040 -6.977 1.00 0.00 O ATOM 607 CB LEU A 39 -7.021 -2.074 -10.145 1.00 0.00 C ATOM 608 CG LEU A 39 -6.437 -2.861 -11.319 1.00 0.00 C ATOM 609 CD1 LEU A 39 -6.537 -2.054 -12.605 1.00 0.00 C ATOM 610 CD2 LEU A 39 -4.991 -3.244 -11.039 1.00 0.00 C ATOM 0 H LEU A 39 -9.209 -3.399 -9.239 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.310 -3.411 -8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.984 -1.664 -10.451 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.366 -1.228 -9.939 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.017 -3.776 -11.442 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.117 -2.630 -13.430 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.583 -1.831 -12.814 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.983 -1.122 -12.494 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.592 -3.803 -11.885 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.398 -2.342 -10.889 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.945 -3.862 -10.142 1.00 0.00 H new ATOM 622 N ILE A 40 -6.624 -0.908 -7.532 1.00 0.00 N ATOM 623 CA ILE A 40 -6.779 0.081 -6.472 1.00 0.00 C ATOM 624 C ILE A 40 -7.307 1.400 -7.024 1.00 0.00 C ATOM 625 O ILE A 40 -6.592 2.127 -7.714 1.00 0.00 O ATOM 626 CB ILE A 40 -5.446 0.339 -5.745 1.00 0.00 C ATOM 627 CG1 ILE A 40 -5.002 -0.915 -4.988 1.00 0.00 C ATOM 628 CG2 ILE A 40 -5.581 1.519 -4.794 1.00 0.00 C ATOM 629 CD1 ILE A 40 -3.636 -0.784 -4.350 1.00 0.00 C ATOM 0 H ILE A 40 -5.800 -0.773 -8.118 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.498 -0.327 -5.762 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.685 0.581 -6.487 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.735 -1.141 -4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.993 -1.761 -5.676 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.631 1.689 -4.288 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.856 2.411 -5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.353 1.304 -4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.387 -1.709 -3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.891 -0.589 -5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.645 0.041 -3.637 1.00 0.00 H new ATOM 641 N ARG A 41 -8.564 1.703 -6.715 1.00 0.00 N ATOM 642 CA ARG A 41 -9.189 2.936 -7.179 1.00 0.00 C ATOM 643 C ARG A 41 -8.839 4.103 -6.261 1.00 0.00 C ATOM 644 O ARG A 41 -8.198 5.066 -6.681 1.00 0.00 O ATOM 645 CB ARG A 41 -10.707 2.767 -7.252 1.00 0.00 C ATOM 646 CG ARG A 41 -11.194 2.186 -8.569 1.00 0.00 C ATOM 647 CD ARG A 41 -11.086 3.199 -9.698 1.00 0.00 C ATOM 648 NE ARG A 41 -11.220 2.572 -11.011 1.00 0.00 N ATOM 649 CZ ARG A 41 -10.728 3.095 -12.128 1.00 0.00 C ATOM 650 NH1 ARG A 41 -10.072 4.247 -12.093 1.00 0.00 N ATOM 651 NH2 ARG A 41 -10.891 2.465 -13.285 1.00 0.00 N ATOM 0 H ARG A 41 -9.169 1.112 -6.145 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.806 3.154 -8.176 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.031 2.119 -6.437 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.180 3.737 -7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.609 1.300 -8.816 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.230 1.864 -8.465 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.859 3.959 -9.579 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.125 3.709 -9.636 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.719 1.684 -11.073 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.944 4.734 -11.206 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.695 4.646 -12.953 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.395 1.578 -13.316 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.513 2.867 -14.143 1.00 0.00 H new ATOM 665 N ASP A 42 -9.264 4.009 -5.006 1.00 0.00 N ATOM 666 CA ASP A 42 -8.996 5.056 -4.027 1.00 0.00 C ATOM 667 C ASP A 42 -8.048 4.555 -2.941 1.00 0.00 C ATOM 668 O ASP A 42 -8.468 3.891 -1.993 1.00 0.00 O ATOM 669 CB ASP A 42 -10.302 5.541 -3.396 1.00 0.00 C ATOM 670 CG ASP A 42 -11.263 6.110 -4.421 1.00 0.00 C ATOM 671 OD1 ASP A 42 -10.789 6.676 -5.428 1.00 0.00 O ATOM 672 OD2 ASP A 42 -12.490 5.992 -4.215 1.00 0.00 O ATOM 0 H ASP A 42 -9.796 3.218 -4.642 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.520 5.889 -4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.780 4.712 -2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.080 6.302 -2.648 1.00 0.00 H new ATOM 677 N LEU A 43 -6.767 4.876 -3.088 1.00 0.00 N ATOM 678 CA LEU A 43 -5.758 4.458 -2.120 1.00 0.00 C ATOM 679 C LEU A 43 -6.238 4.702 -0.693 1.00 0.00 C ATOM 680 O LEU A 43 -5.955 3.916 0.210 1.00 0.00 O ATOM 681 CB LEU A 43 -4.447 5.207 -2.365 1.00 0.00 C ATOM 682 CG LEU A 43 -3.180 4.533 -1.838 1.00 0.00 C ATOM 683 CD1 LEU A 43 -2.962 3.195 -2.527 1.00 0.00 C ATOM 684 CD2 LEU A 43 -1.973 5.439 -2.033 1.00 0.00 C ATOM 0 H LEU A 43 -6.403 5.424 -3.867 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.588 3.389 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.334 5.359 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.525 6.194 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.304 4.353 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.056 2.730 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.815 2.544 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.859 3.351 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.080 4.943 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.845 5.651 -3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.128 6.373 -1.492 1.00 0.00 H new ATOM 696 N GLN A 44 -6.967 5.797 -0.499 1.00 0.00 N ATOM 697 CA GLN A 44 -7.487 6.143 0.819 1.00 0.00 C ATOM 698 C GLN A 44 -8.569 5.159 1.253 1.00 0.00 C ATOM 699 O GLN A 44 -8.582 4.703 2.396 1.00 0.00 O ATOM 700 CB GLN A 44 -8.049 7.566 0.811 1.00 0.00 C ATOM 701 CG GLN A 44 -6.980 8.642 0.708 1.00 0.00 C ATOM 702 CD GLN A 44 -7.472 9.888 -0.002 1.00 0.00 C ATOM 703 OE1 GLN A 44 -7.913 9.829 -1.150 1.00 0.00 O ATOM 704 NE2 GLN A 44 -7.401 11.025 0.680 1.00 0.00 N ATOM 0 H GLN A 44 -7.210 6.458 -1.236 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.665 6.088 1.532 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.739 7.670 -0.026 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.626 7.725 1.722 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.641 8.909 1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.117 8.242 0.175 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.028 11.028 1.629 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.719 11.896 0.254 1.00 0.00 H new ATOM 713 N GLN A 45 -9.473 4.838 0.334 1.00 0.00 N ATOM 714 CA GLN A 45 -10.559 3.909 0.623 1.00 0.00 C ATOM 715 C GLN A 45 -10.204 2.497 0.167 1.00 0.00 C ATOM 716 O GLN A 45 -11.065 1.620 0.102 1.00 0.00 O ATOM 717 CB GLN A 45 -11.848 4.369 -0.060 1.00 0.00 C ATOM 718 CG GLN A 45 -12.367 5.702 0.455 1.00 0.00 C ATOM 719 CD GLN A 45 -13.627 6.152 -0.257 1.00 0.00 C ATOM 720 OE1 GLN A 45 -14.005 5.593 -1.287 1.00 0.00 O ATOM 721 NE2 GLN A 45 -14.285 7.169 0.288 1.00 0.00 N ATOM 0 H GLN A 45 -9.475 5.207 -0.617 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.713 3.895 1.702 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.673 4.447 -1.133 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.616 3.609 0.083 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.567 5.621 1.523 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.594 6.461 0.332 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.936 7.603 1.143 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.139 7.516 -0.148 1.00 0.00 H new ATOM 730 N ASP A 46 -8.931 2.286 -0.148 1.00 0.00 N ATOM 731 CA ASP A 46 -8.461 0.980 -0.597 1.00 0.00 C ATOM 732 C ASP A 46 -7.732 0.249 0.525 1.00 0.00 C ATOM 733 O ASP A 46 -7.788 -0.977 0.621 1.00 0.00 O ATOM 734 CB ASP A 46 -7.537 1.135 -1.806 1.00 0.00 C ATOM 735 CG ASP A 46 -8.288 1.065 -3.121 1.00 0.00 C ATOM 736 OD1 ASP A 46 -8.856 2.096 -3.537 1.00 0.00 O ATOM 737 OD2 ASP A 46 -8.306 -0.022 -3.736 1.00 0.00 O ATOM 0 H ASP A 46 -8.206 3.002 -0.101 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.330 0.389 -0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.014 2.089 -1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.778 0.353 -1.782 1.00 0.00 H new ATOM 742 N VAL A 47 -7.046 1.009 1.373 1.00 0.00 N ATOM 743 CA VAL A 47 -6.306 0.434 2.489 1.00 0.00 C ATOM 744 C VAL A 47 -7.009 0.706 3.814 1.00 0.00 C ATOM 745 O VAL A 47 -6.365 0.971 4.830 1.00 0.00 O ATOM 746 CB VAL A 47 -4.871 0.991 2.558 1.00 0.00 C ATOM 747 CG1 VAL A 47 -4.102 0.645 1.292 1.00 0.00 C ATOM 748 CG2 VAL A 47 -4.895 2.496 2.783 1.00 0.00 C ATOM 0 H VAL A 47 -6.988 2.025 1.308 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.263 -0.642 2.318 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.360 0.528 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.091 1.047 1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.055 -0.438 1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.608 1.078 0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.873 2.873 2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.423 2.978 1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.406 2.716 3.721 1.00 0.00 H new ATOM 758 N THR A 48 -8.337 0.639 3.798 1.00 0.00 N ATOM 759 CA THR A 48 -9.129 0.879 4.997 1.00 0.00 C ATOM 760 C THR A 48 -9.420 -0.424 5.733 1.00 0.00 C ATOM 761 O THR A 48 -9.462 -0.457 6.963 1.00 0.00 O ATOM 762 CB THR A 48 -10.462 1.574 4.661 1.00 0.00 C ATOM 763 OG1 THR A 48 -11.122 0.880 3.597 1.00 0.00 O ATOM 764 CG2 THR A 48 -10.230 3.024 4.260 1.00 0.00 C ATOM 0 H THR A 48 -8.886 0.420 2.967 1.00 0.00 H new ATOM 0 HA THR A 48 -8.539 1.533 5.639 1.00 0.00 H new ATOM 0 HB THR A 48 -11.091 1.555 5.551 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.377 -0.017 3.900 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.185 3.494 4.027 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.754 3.557 5.083 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.585 3.060 3.382 1.00 0.00 H new ATOM 772 N ASP A 49 -9.620 -1.495 4.973 1.00 0.00 N ATOM 773 CA ASP A 49 -9.906 -2.802 5.554 1.00 0.00 C ATOM 774 C ASP A 49 -8.624 -3.610 5.731 1.00 0.00 C ATOM 775 O ASP A 49 -8.586 -4.571 6.498 1.00 0.00 O ATOM 776 CB ASP A 49 -10.891 -3.571 4.672 1.00 0.00 C ATOM 777 CG ASP A 49 -12.135 -2.766 4.354 1.00 0.00 C ATOM 778 OD1 ASP A 49 -13.110 -2.848 5.130 1.00 0.00 O ATOM 779 OD2 ASP A 49 -12.134 -2.052 3.330 1.00 0.00 O ATOM 0 H ASP A 49 -9.589 -1.484 3.954 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.354 -2.646 6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.397 -3.853 3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.178 -4.495 5.174 1.00 0.00 H new ATOM 784 N GLY A 50 -7.576 -3.212 5.016 1.00 0.00 N ATOM 785 CA GLY A 50 -6.308 -3.911 5.108 1.00 0.00 C ATOM 786 C GLY A 50 -6.240 -5.113 4.187 1.00 0.00 C ATOM 787 O GLY A 50 -5.162 -5.496 3.733 1.00 0.00 O ATOM 0 H GLY A 50 -7.583 -2.418 4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.499 -3.223 4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.150 -4.236 6.136 1.00 0.00 H new ATOM 791 N VAL A 51 -7.394 -5.712 3.913 1.00 0.00 N ATOM 792 CA VAL A 51 -7.462 -6.879 3.041 1.00 0.00 C ATOM 793 C VAL A 51 -6.771 -6.610 1.708 1.00 0.00 C ATOM 794 O VAL A 51 -5.750 -7.222 1.391 1.00 0.00 O ATOM 795 CB VAL A 51 -8.920 -7.297 2.775 1.00 0.00 C ATOM 796 CG1 VAL A 51 -8.971 -8.474 1.813 1.00 0.00 C ATOM 797 CG2 VAL A 51 -9.623 -7.635 4.081 1.00 0.00 C ATOM 0 H VAL A 51 -8.295 -5.409 4.282 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.948 -7.690 3.557 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.442 -6.459 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.009 -8.755 1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.506 -8.192 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.434 -9.319 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.652 -7.928 3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.103 -8.457 4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.618 -6.762 4.733 1.00 0.00 H new ATOM 807 N LEU A 52 -7.334 -5.691 0.932 1.00 0.00 N ATOM 808 CA LEU A 52 -6.772 -5.339 -0.368 1.00 0.00 C ATOM 809 C LEU A 52 -5.302 -4.953 -0.239 1.00 0.00 C ATOM 810 O LEU A 52 -4.479 -5.308 -1.084 1.00 0.00 O ATOM 811 CB LEU A 52 -7.561 -4.187 -0.992 1.00 0.00 C ATOM 812 CG LEU A 52 -7.618 -4.163 -2.520 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.538 -3.052 -3.002 1.00 0.00 C ATOM 814 CD2 LEU A 52 -6.223 -3.993 -3.103 1.00 0.00 C ATOM 0 H LEU A 52 -8.179 -5.176 1.180 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.844 -6.213 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.582 -4.224 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.126 -3.248 -0.650 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.020 -5.116 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.566 -3.050 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.543 -3.217 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.165 -2.091 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.283 -3.978 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.793 -3.056 -2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.592 -4.823 -2.786 1.00 0.00 H new ATOM 826 N LEU A 53 -4.978 -4.224 0.824 1.00 0.00 N ATOM 827 CA LEU A 53 -3.606 -3.791 1.065 1.00 0.00 C ATOM 828 C LEU A 53 -2.653 -4.982 1.075 1.00 0.00 C ATOM 829 O LEU A 53 -1.678 -5.015 0.325 1.00 0.00 O ATOM 830 CB LEU A 53 -3.515 -3.039 2.394 1.00 0.00 C ATOM 831 CG LEU A 53 -2.148 -3.050 3.079 1.00 0.00 C ATOM 832 CD1 LEU A 53 -1.091 -2.441 2.170 1.00 0.00 C ATOM 833 CD2 LEU A 53 -2.209 -2.304 4.404 1.00 0.00 C ATOM 0 H LEU A 53 -5.647 -3.921 1.532 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.314 -3.123 0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.805 -2.002 2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.247 -3.465 3.081 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.872 -4.085 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.125 -2.457 2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.029 -3.018 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.361 -1.411 1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.227 -2.322 4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.507 -1.271 4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.936 -2.784 5.059 1.00 0.00 H new ATOM 845 N ALA A 54 -2.943 -5.958 1.929 1.00 0.00 N ATOM 846 CA ALA A 54 -2.114 -7.153 2.033 1.00 0.00 C ATOM 847 C ALA A 54 -1.939 -7.820 0.673 1.00 0.00 C ATOM 848 O ALA A 54 -0.836 -8.229 0.311 1.00 0.00 O ATOM 849 CB ALA A 54 -2.721 -8.131 3.028 1.00 0.00 C ATOM 0 H ALA A 54 -3.745 -5.945 2.559 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.129 -6.852 2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.092 -9.019 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.788 -7.658 4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.718 -8.418 2.694 1.00 0.00 H new ATOM 855 N GLN A 55 -3.033 -7.926 -0.075 1.00 0.00 N ATOM 856 CA GLN A 55 -2.998 -8.545 -1.394 1.00 0.00 C ATOM 857 C GLN A 55 -1.740 -8.139 -2.154 1.00 0.00 C ATOM 858 O GLN A 55 -1.198 -8.918 -2.938 1.00 0.00 O ATOM 859 CB GLN A 55 -4.241 -8.154 -2.197 1.00 0.00 C ATOM 860 CG GLN A 55 -5.547 -8.536 -1.520 1.00 0.00 C ATOM 861 CD GLN A 55 -6.726 -8.516 -2.473 1.00 0.00 C ATOM 862 OE1 GLN A 55 -7.480 -9.484 -2.567 1.00 0.00 O ATOM 863 NE2 GLN A 55 -6.892 -7.408 -3.186 1.00 0.00 N ATOM 0 H GLN A 55 -3.953 -7.591 0.210 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.985 -9.627 -1.259 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.230 -7.077 -2.366 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.196 -8.631 -3.176 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.450 -9.532 -1.089 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.739 -7.849 -0.696 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.243 -6.629 -3.076 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.669 -7.336 -3.843 1.00 0.00 H new ATOM 872 N ILE A 56 -1.280 -6.915 -1.916 1.00 0.00 N ATOM 873 CA ILE A 56 -0.085 -6.406 -2.577 1.00 0.00 C ATOM 874 C ILE A 56 1.172 -6.763 -1.791 1.00 0.00 C ATOM 875 O ILE A 56 2.127 -7.310 -2.343 1.00 0.00 O ATOM 876 CB ILE A 56 -0.148 -4.878 -2.757 1.00 0.00 C ATOM 877 CG1 ILE A 56 -1.348 -4.494 -3.625 1.00 0.00 C ATOM 878 CG2 ILE A 56 1.144 -4.363 -3.371 1.00 0.00 C ATOM 879 CD1 ILE A 56 -2.608 -4.226 -2.832 1.00 0.00 C ATOM 0 H ILE A 56 -1.717 -6.258 -1.270 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.043 -6.877 -3.559 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.270 -4.416 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.097 -3.605 -4.204 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.541 -5.295 -4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.084 -3.281 -3.492 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.981 -4.609 -2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.295 -4.829 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.417 -3.960 -3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.884 -5.121 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.433 -3.404 -2.137 1.00 0.00 H new ATOM 891 N ILE A 57 1.164 -6.451 -0.499 1.00 0.00 N ATOM 892 CA ILE A 57 2.302 -6.741 0.363 1.00 0.00 C ATOM 893 C ILE A 57 2.748 -8.192 0.215 1.00 0.00 C ATOM 894 O ILE A 57 3.910 -8.466 -0.086 1.00 0.00 O ATOM 895 CB ILE A 57 1.972 -6.466 1.842 1.00 0.00 C ATOM 896 CG1 ILE A 57 1.501 -5.021 2.022 1.00 0.00 C ATOM 897 CG2 ILE A 57 3.186 -6.745 2.717 1.00 0.00 C ATOM 898 CD1 ILE A 57 0.980 -4.724 3.411 1.00 0.00 C ATOM 0 H ILE A 57 0.382 -5.997 -0.027 1.00 0.00 H new ATOM 0 HA ILE A 57 3.111 -6.081 0.050 1.00 0.00 H new ATOM 0 HB ILE A 57 1.166 -7.133 2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.329 -4.347 1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.716 -4.810 1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.937 -6.546 3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.481 -7.788 2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.010 -6.101 2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.664 -3.682 3.466 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.131 -5.373 3.628 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.769 -4.903 4.141 1.00 0.00 H new ATOM 910 N GLN A 58 1.817 -9.116 0.428 1.00 0.00 N ATOM 911 CA GLN A 58 2.115 -10.539 0.317 1.00 0.00 C ATOM 912 C GLN A 58 2.826 -10.845 -0.997 1.00 0.00 C ATOM 913 O GLN A 58 3.602 -11.797 -1.088 1.00 0.00 O ATOM 914 CB GLN A 58 0.828 -11.360 0.417 1.00 0.00 C ATOM 915 CG GLN A 58 0.160 -11.278 1.780 1.00 0.00 C ATOM 916 CD GLN A 58 -1.267 -11.790 1.762 1.00 0.00 C ATOM 917 OE1 GLN A 58 -2.217 -11.010 1.676 1.00 0.00 O ATOM 918 NE2 GLN A 58 -1.426 -13.106 1.841 1.00 0.00 N ATOM 0 H GLN A 58 0.851 -8.905 0.678 1.00 0.00 H new ATOM 0 HA GLN A 58 2.777 -10.811 1.139 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.127 -11.016 -0.343 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.054 -12.403 0.194 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.740 -11.855 2.500 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.166 -10.243 2.122 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.611 -13.715 1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.363 -13.508 1.832 1.00 0.00 H new ATOM 927 N VAL A 59 2.556 -10.033 -2.014 1.00 0.00 N ATOM 928 CA VAL A 59 3.170 -10.217 -3.323 1.00 0.00 C ATOM 929 C VAL A 59 4.574 -9.621 -3.360 1.00 0.00 C ATOM 930 O VAL A 59 5.566 -10.347 -3.437 1.00 0.00 O ATOM 931 CB VAL A 59 2.322 -9.573 -4.437 1.00 0.00 C ATOM 932 CG1 VAL A 59 3.070 -9.600 -5.761 1.00 0.00 C ATOM 933 CG2 VAL A 59 0.981 -10.280 -4.559 1.00 0.00 C ATOM 0 H VAL A 59 1.916 -9.241 -1.956 1.00 0.00 H new ATOM 0 HA VAL A 59 3.229 -11.291 -3.497 1.00 0.00 H new ATOM 0 HB VAL A 59 2.137 -8.532 -4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.455 -9.141 -6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.004 -9.046 -5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.288 -10.632 -6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.394 -9.813 -5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.144 -11.330 -4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.442 -10.204 -3.615 1.00 0.00 H new ATOM 943 N VAL A 60 4.650 -8.296 -3.304 1.00 0.00 N ATOM 944 CA VAL A 60 5.932 -7.602 -3.330 1.00 0.00 C ATOM 945 C VAL A 60 6.896 -8.191 -2.307 1.00 0.00 C ATOM 946 O VAL A 60 8.112 -8.161 -2.495 1.00 0.00 O ATOM 947 CB VAL A 60 5.761 -6.097 -3.050 1.00 0.00 C ATOM 948 CG1 VAL A 60 5.075 -5.877 -1.711 1.00 0.00 C ATOM 949 CG2 VAL A 60 7.108 -5.391 -3.091 1.00 0.00 C ATOM 0 H VAL A 60 3.839 -7.681 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 60 6.343 -7.734 -4.331 1.00 0.00 H new ATOM 0 HB VAL A 60 5.129 -5.670 -3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.963 -4.808 -1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.092 -6.348 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.678 -6.318 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.968 -4.329 -2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.766 -5.819 -2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.556 -5.519 -4.076 1.00 0.00 H new ATOM 959 N ALA A 61 6.345 -8.728 -1.223 1.00 0.00 N ATOM 960 CA ALA A 61 7.156 -9.328 -0.171 1.00 0.00 C ATOM 961 C ALA A 61 7.349 -10.821 -0.410 1.00 0.00 C ATOM 962 O ALA A 61 8.338 -11.407 0.028 1.00 0.00 O ATOM 963 CB ALA A 61 6.517 -9.087 1.189 1.00 0.00 C ATOM 0 H ALA A 61 5.340 -8.760 -1.051 1.00 0.00 H new ATOM 0 HA ALA A 61 8.138 -8.855 -0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.133 -9.540 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.437 -8.015 1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.523 -9.533 1.208 1.00 0.00 H new ATOM 969 N ASN A 62 6.397 -11.432 -1.107 1.00 0.00 N ATOM 970 CA ASN A 62 6.462 -12.859 -1.403 1.00 0.00 C ATOM 971 C ASN A 62 6.204 -13.687 -0.149 1.00 0.00 C ATOM 972 O ASN A 62 6.844 -14.715 0.070 1.00 0.00 O ATOM 973 CB ASN A 62 7.828 -13.216 -1.993 1.00 0.00 C ATOM 974 CG ASN A 62 8.292 -12.211 -3.030 1.00 0.00 C ATOM 975 OD1 ASN A 62 7.794 -12.190 -4.155 1.00 0.00 O ATOM 976 ND2 ASN A 62 9.250 -11.373 -2.653 1.00 0.00 N ATOM 0 H ASN A 62 5.571 -10.962 -1.478 1.00 0.00 H new ATOM 0 HA ASN A 62 5.687 -13.089 -2.134 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.564 -13.272 -1.191 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.777 -14.205 -2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.603 -10.674 -3.307 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.633 -11.428 -1.709 1.00 0.00 H new ATOM 983 N GLU A 63 5.263 -13.232 0.672 1.00 0.00 N ATOM 984 CA GLU A 63 4.921 -13.931 1.905 1.00 0.00 C ATOM 985 C GLU A 63 3.431 -13.803 2.208 1.00 0.00 C ATOM 986 O GLU A 63 2.746 -12.940 1.659 1.00 0.00 O ATOM 987 CB GLU A 63 5.740 -13.380 3.074 1.00 0.00 C ATOM 988 CG GLU A 63 6.077 -14.423 4.126 1.00 0.00 C ATOM 989 CD GLU A 63 7.395 -15.122 3.853 1.00 0.00 C ATOM 990 OE1 GLU A 63 8.440 -14.438 3.851 1.00 0.00 O ATOM 991 OE2 GLU A 63 7.381 -16.353 3.642 1.00 0.00 O ATOM 0 H GLU A 63 4.724 -12.382 0.506 1.00 0.00 H new ATOM 0 HA GLU A 63 5.157 -14.987 1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.666 -12.953 2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.186 -12.568 3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.119 -13.946 5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.279 -15.164 4.167 1.00 0.00 H new ATOM 998 N LYS A 64 2.936 -14.668 3.087 1.00 0.00 N ATOM 999 CA LYS A 64 1.528 -14.652 3.466 1.00 0.00 C ATOM 1000 C LYS A 64 1.358 -14.197 4.911 1.00 0.00 C ATOM 1001 O LYS A 64 2.100 -14.622 5.797 1.00 0.00 O ATOM 1002 CB LYS A 64 0.914 -16.042 3.282 1.00 0.00 C ATOM 1003 CG LYS A 64 -0.488 -16.168 3.853 1.00 0.00 C ATOM 1004 CD LYS A 64 -0.773 -17.585 4.323 1.00 0.00 C ATOM 1005 CE LYS A 64 -1.755 -17.599 5.484 1.00 0.00 C ATOM 1006 NZ LYS A 64 -3.169 -17.624 5.015 1.00 0.00 N ATOM 0 H LYS A 64 3.489 -15.389 3.550 1.00 0.00 H new ATOM 0 HA LYS A 64 1.011 -13.944 2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.887 -16.280 2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.559 -16.781 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.606 -15.476 4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.218 -15.881 3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.177 -18.170 3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.158 -18.063 4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.565 -18.471 6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.594 -16.719 6.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.807 -17.633 5.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.359 -16.779 4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.330 -18.477 4.442 1.00 0.00 H new ATOM 1020 N ILE A 65 0.376 -13.332 5.143 1.00 0.00 N ATOM 1021 CA ILE A 65 0.109 -12.821 6.481 1.00 0.00 C ATOM 1022 C ILE A 65 -1.000 -13.617 7.162 1.00 0.00 C ATOM 1023 O ILE A 65 -2.154 -13.582 6.735 1.00 0.00 O ATOM 1024 CB ILE A 65 -0.290 -11.334 6.448 1.00 0.00 C ATOM 1025 CG1 ILE A 65 0.697 -10.539 5.590 1.00 0.00 C ATOM 1026 CG2 ILE A 65 -0.348 -10.769 7.859 1.00 0.00 C ATOM 1027 CD1 ILE A 65 0.124 -9.248 5.049 1.00 0.00 C ATOM 0 H ILE A 65 -0.248 -12.971 4.421 1.00 0.00 H new ATOM 0 HA ILE A 65 1.033 -12.928 7.049 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.281 -11.248 6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.582 -10.313 6.184 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.023 -11.160 4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.631 -9.717 7.818 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.085 -11.321 8.442 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.631 -10.863 8.329 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.879 -8.737 4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.744 -9.467 4.428 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.176 -8.607 5.878 1.00 0.00 H new ATOM 1039 N GLU A 66 -0.642 -14.333 8.223 1.00 0.00 N ATOM 1040 CA GLU A 66 -1.607 -15.137 8.963 1.00 0.00 C ATOM 1041 C GLU A 66 -2.483 -14.256 9.850 1.00 0.00 C ATOM 1042 O GLU A 66 -3.605 -14.625 10.196 1.00 0.00 O ATOM 1043 CB GLU A 66 -0.886 -16.182 9.817 1.00 0.00 C ATOM 1044 CG GLU A 66 -0.024 -17.137 9.009 1.00 0.00 C ATOM 1045 CD GLU A 66 0.363 -18.377 9.792 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -0.546 -19.072 10.291 1.00 0.00 O ATOM 1047 OE2 GLU A 66 1.577 -18.652 9.904 1.00 0.00 O ATOM 0 H GLU A 66 0.309 -14.373 8.589 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.246 -15.646 8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.260 -15.672 10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.626 -16.756 10.375 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.562 -17.433 8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.879 -16.620 8.685 1.00 0.00 H new ATOM 1054 N ASP A 67 -1.961 -13.090 10.215 1.00 0.00 N ATOM 1055 CA ASP A 67 -2.694 -12.155 11.061 1.00 0.00 C ATOM 1056 C ASP A 67 -3.662 -11.317 10.232 1.00 0.00 C ATOM 1057 O ASP A 67 -3.762 -10.104 10.417 1.00 0.00 O ATOM 1058 CB ASP A 67 -1.722 -11.243 11.810 1.00 0.00 C ATOM 1059 CG ASP A 67 -1.199 -11.876 13.085 1.00 0.00 C ATOM 1060 OD1 ASP A 67 -0.645 -12.992 13.008 1.00 0.00 O ATOM 1061 OD2 ASP A 67 -1.345 -11.256 14.159 1.00 0.00 O ATOM 0 H ASP A 67 -1.033 -12.770 9.938 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.270 -12.732 11.785 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.883 -10.998 11.159 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.222 -10.305 12.052 1.00 0.00 H new ATOM 1066 N ILE A 68 -4.372 -11.972 9.320 1.00 0.00 N ATOM 1067 CA ILE A 68 -5.332 -11.286 8.464 1.00 0.00 C ATOM 1068 C ILE A 68 -6.744 -11.821 8.682 1.00 0.00 C ATOM 1069 O ILE A 68 -7.041 -12.968 8.354 1.00 0.00 O ATOM 1070 CB ILE A 68 -4.965 -11.434 6.975 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -3.569 -10.864 6.713 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -5.999 -10.737 6.103 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -3.490 -9.362 6.869 1.00 0.00 C ATOM 0 H ILE A 68 -4.301 -12.976 9.155 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.299 -10.231 8.736 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.959 -12.494 6.721 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.861 -11.330 7.398 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.259 -11.133 5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.726 -10.850 5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.979 -11.183 6.273 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.034 -9.677 6.356 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.472 -9.028 6.668 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.173 -8.887 6.165 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.768 -9.087 7.886 1.00 0.00 H new ATOM 1085 N ASN A 69 -7.610 -10.979 9.238 1.00 0.00 N ATOM 1086 CA ASN A 69 -8.991 -11.366 9.499 1.00 0.00 C ATOM 1087 C ASN A 69 -9.765 -11.536 8.195 1.00 0.00 C ATOM 1088 O ASN A 69 -10.281 -12.614 7.904 1.00 0.00 O ATOM 1089 CB ASN A 69 -9.678 -10.320 10.380 1.00 0.00 C ATOM 1090 CG ASN A 69 -11.185 -10.486 10.407 1.00 0.00 C ATOM 1091 OD1 ASN A 69 -11.728 -11.422 9.819 1.00 0.00 O ATOM 1092 ND2 ASN A 69 -11.868 -9.576 11.091 1.00 0.00 N ATOM 0 H ASN A 69 -7.379 -10.025 9.516 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.981 -12.322 10.022 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.289 -10.393 11.396 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.432 -9.323 10.015 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.885 -9.636 11.145 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.376 -8.817 11.563 1.00 0.00 H new ATOM 1099 N GLY A 70 -9.840 -10.463 7.414 1.00 0.00 N ATOM 1100 CA GLY A 70 -10.551 -10.514 6.150 1.00 0.00 C ATOM 1101 C GLY A 70 -12.056 -10.463 6.329 1.00 0.00 C ATOM 1102 O GLY A 70 -12.624 -11.248 7.089 1.00 0.00 O ATOM 0 H GLY A 70 -9.421 -9.559 7.634 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.234 -9.680 5.524 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.282 -11.429 5.622 1.00 0.00 H new ATOM 1106 N CYS A 71 -12.701 -9.536 5.630 1.00 0.00 N ATOM 1107 CA CYS A 71 -14.150 -9.383 5.718 1.00 0.00 C ATOM 1108 C CYS A 71 -14.563 -8.903 7.105 1.00 0.00 C ATOM 1109 O CYS A 71 -15.384 -9.521 7.784 1.00 0.00 O ATOM 1110 CB CYS A 71 -14.843 -10.707 5.396 1.00 0.00 C ATOM 1111 SG CYS A 71 -14.351 -11.433 3.814 1.00 0.00 S ATOM 0 H CYS A 71 -12.245 -8.879 4.997 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.457 -8.634 4.988 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.629 -11.420 6.193 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.921 -10.548 5.391 1.00 0.00 H new ATOM 0 HG CYS A 71 -14.989 -12.551 3.632 1.00 0.00 H new ATOM 1117 N PRO A 72 -13.981 -7.775 7.539 1.00 0.00 N ATOM 1118 CA PRO A 72 -14.272 -7.188 8.850 1.00 0.00 C ATOM 1119 C PRO A 72 -15.679 -6.606 8.925 1.00 0.00 C ATOM 1120 O PRO A 72 -16.212 -6.112 7.930 1.00 0.00 O ATOM 1121 CB PRO A 72 -13.227 -6.077 8.982 1.00 0.00 C ATOM 1122 CG PRO A 72 -12.880 -5.716 7.579 1.00 0.00 C ATOM 1123 CD PRO A 72 -12.993 -6.987 6.783 1.00 0.00 C ATOM 0 HA PRO A 72 -14.228 -7.930 9.647 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.626 -5.220 9.524 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.350 -6.421 9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.557 -4.953 7.194 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.871 -5.307 7.520 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -13.327 -6.795 5.764 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -12.036 -7.504 6.712 1.00 0.00 H new ATOM 1131 N LYS A 73 -16.278 -6.666 10.110 1.00 0.00 N ATOM 1132 CA LYS A 73 -17.623 -6.143 10.316 1.00 0.00 C ATOM 1133 C LYS A 73 -17.613 -4.993 11.317 1.00 0.00 C ATOM 1134 O LYS A 73 -18.256 -3.966 11.103 1.00 0.00 O ATOM 1135 CB LYS A 73 -18.554 -7.254 10.808 1.00 0.00 C ATOM 1136 CG LYS A 73 -19.178 -8.066 9.687 1.00 0.00 C ATOM 1137 CD LYS A 73 -20.450 -8.761 10.144 1.00 0.00 C ATOM 1138 CE LYS A 73 -21.170 -9.427 8.981 1.00 0.00 C ATOM 1139 NZ LYS A 73 -22.343 -10.222 9.437 1.00 0.00 N ATOM 0 H LYS A 73 -15.852 -7.072 10.943 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.989 -5.766 9.361 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -17.994 -7.923 11.461 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -19.348 -6.811 11.410 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -19.402 -7.412 8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -18.463 -8.809 9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -20.206 -9.509 10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -21.113 -8.036 10.616 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -21.500 -8.666 8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -20.476 -10.077 8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -22.806 -10.660 8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -22.025 -10.965 10.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -23.018 -9.598 9.923 1.00 0.00 H new ATOM 1153 N ASN A 74 -16.877 -5.171 12.409 1.00 0.00 N ATOM 1154 CA ASN A 74 -16.782 -4.147 13.442 1.00 0.00 C ATOM 1155 C ASN A 74 -15.719 -3.112 13.087 1.00 0.00 C ATOM 1156 O ASN A 74 -14.606 -3.461 12.693 1.00 0.00 O ATOM 1157 CB ASN A 74 -16.456 -4.785 14.794 1.00 0.00 C ATOM 1158 CG ASN A 74 -16.528 -3.790 15.936 1.00 0.00 C ATOM 1159 OD1 ASN A 74 -15.505 -3.281 16.395 1.00 0.00 O ATOM 1160 ND2 ASN A 74 -17.739 -3.508 16.400 1.00 0.00 N ATOM 0 H ASN A 74 -16.338 -6.015 12.601 1.00 0.00 H new ATOM 0 HA ASN A 74 -17.746 -3.643 13.508 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -17.151 -5.603 14.984 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.457 -5.219 14.756 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -17.850 -2.845 17.168 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -18.559 -3.954 15.989 1.00 0.00 H new ATOM 1167 N ARG A 75 -16.069 -1.838 13.230 1.00 0.00 N ATOM 1168 CA ARG A 75 -15.146 -0.752 12.924 1.00 0.00 C ATOM 1169 C ARG A 75 -13.729 -1.102 13.368 1.00 0.00 C ATOM 1170 O ARG A 75 -12.752 -0.683 12.748 1.00 0.00 O ATOM 1171 CB ARG A 75 -15.601 0.540 13.604 1.00 0.00 C ATOM 1172 CG ARG A 75 -14.563 1.649 13.561 1.00 0.00 C ATOM 1173 CD ARG A 75 -13.657 1.612 14.781 1.00 0.00 C ATOM 1174 NE ARG A 75 -14.404 1.790 16.023 1.00 0.00 N ATOM 1175 CZ ARG A 75 -13.851 2.192 17.163 1.00 0.00 C ATOM 1176 NH1 ARG A 75 -12.553 2.455 17.217 1.00 0.00 N ATOM 1177 NH2 ARG A 75 -14.598 2.330 18.251 1.00 0.00 N ATOM 0 H ARG A 75 -16.986 -1.532 13.556 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.144 -0.604 11.844 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.515 0.891 13.124 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.849 0.326 14.644 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.962 1.551 12.657 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -15.064 2.616 13.508 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.127 0.660 14.810 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.903 2.394 14.696 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.405 1.595 16.015 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.976 2.349 16.383 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.131 2.763 18.093 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.597 2.128 18.213 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.173 2.638 19.126 1.00 0.00 H new ATOM 1191 N SER A 76 -13.626 -1.872 14.447 1.00 0.00 N ATOM 1192 CA SER A 76 -12.328 -2.274 14.978 1.00 0.00 C ATOM 1193 C SER A 76 -11.773 -3.468 14.207 1.00 0.00 C ATOM 1194 O SER A 76 -10.587 -3.512 13.881 1.00 0.00 O ATOM 1195 CB SER A 76 -12.447 -2.622 16.463 1.00 0.00 C ATOM 1196 OG SER A 76 -13.258 -1.680 17.144 1.00 0.00 O ATOM 0 H SER A 76 -14.425 -2.230 14.970 1.00 0.00 H new ATOM 0 HA SER A 76 -11.640 -1.437 14.862 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.872 -3.620 16.573 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.455 -2.647 16.915 1.00 0.00 H new ATOM 0 HG SER A 76 -14.198 -1.950 17.079 1.00 0.00 H new ATOM 1202 N GLN A 77 -12.640 -4.434 13.920 1.00 0.00 N ATOM 1203 CA GLN A 77 -12.237 -5.629 13.189 1.00 0.00 C ATOM 1204 C GLN A 77 -11.301 -5.273 12.038 1.00 0.00 C ATOM 1205 O GLN A 77 -10.473 -6.085 11.625 1.00 0.00 O ATOM 1206 CB GLN A 77 -13.466 -6.365 12.653 1.00 0.00 C ATOM 1207 CG GLN A 77 -13.999 -7.429 13.599 1.00 0.00 C ATOM 1208 CD GLN A 77 -14.661 -8.580 12.869 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -14.552 -8.701 11.648 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -15.353 -9.435 13.614 1.00 0.00 N ATOM 0 H GLN A 77 -13.625 -4.412 14.183 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.704 -6.283 13.879 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -14.255 -5.640 12.454 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -13.213 -6.831 11.701 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -13.180 -7.813 14.207 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -14.717 -6.976 14.282 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -15.417 -9.297 14.623 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -15.820 -10.230 13.177 1.00 0.00 H new ATOM 1219 N MET A 78 -11.439 -4.055 11.525 1.00 0.00 N ATOM 1220 CA MET A 78 -10.605 -3.592 10.422 1.00 0.00 C ATOM 1221 C MET A 78 -9.198 -3.259 10.907 1.00 0.00 C ATOM 1222 O MET A 78 -8.209 -3.627 10.271 1.00 0.00 O ATOM 1223 CB MET A 78 -11.233 -2.364 9.760 1.00 0.00 C ATOM 1224 CG MET A 78 -12.582 -2.643 9.117 1.00 0.00 C ATOM 1225 SD MET A 78 -13.963 -2.317 10.230 1.00 0.00 S ATOM 1226 CE MET A 78 -15.281 -3.202 9.402 1.00 0.00 C ATOM 0 H MET A 78 -12.120 -3.371 11.855 1.00 0.00 H new ATOM 0 HA MET A 78 -10.537 -4.396 9.689 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.351 -1.579 10.507 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.550 -1.981 9.001 1.00 0.00 H new ATOM 0 HG2 MET A 78 -12.688 -2.028 8.223 1.00 0.00 H new ATOM 0 HG3 MET A 78 -12.618 -3.684 8.795 1.00 0.00 H new ATOM 0 HE1 MET A 78 -16.171 -2.574 9.361 1.00 0.00 H new ATOM 0 HE2 MET A 78 -14.969 -3.456 8.389 1.00 0.00 H new ATOM 0 HE3 MET A 78 -15.507 -4.116 9.952 1.00 0.00 H new ATOM 1236 N ILE A 79 -9.115 -2.562 12.035 1.00 0.00 N ATOM 1237 CA ILE A 79 -7.828 -2.181 12.604 1.00 0.00 C ATOM 1238 C ILE A 79 -6.823 -3.323 12.503 1.00 0.00 C ATOM 1239 O ILE A 79 -5.741 -3.162 11.940 1.00 0.00 O ATOM 1240 CB ILE A 79 -7.968 -1.763 14.080 1.00 0.00 C ATOM 1241 CG1 ILE A 79 -8.951 -0.598 14.212 1.00 0.00 C ATOM 1242 CG2 ILE A 79 -6.610 -1.385 14.654 1.00 0.00 C ATOM 1243 CD1 ILE A 79 -8.615 0.580 13.324 1.00 0.00 C ATOM 0 H ILE A 79 -9.923 -2.250 12.573 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.466 -1.330 12.027 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.358 -2.609 14.647 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -9.954 -0.950 13.970 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.971 -0.266 15.250 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.725 -1.092 15.698 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.937 -2.240 14.589 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.194 -0.552 14.087 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.354 1.368 13.470 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.625 0.958 13.580 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.623 0.263 12.281 1.00 0.00 H new ATOM 1255 N GLU A 80 -7.189 -4.477 13.052 1.00 0.00 N ATOM 1256 CA GLU A 80 -6.319 -5.646 13.022 1.00 0.00 C ATOM 1257 C GLU A 80 -5.705 -5.833 11.638 1.00 0.00 C ATOM 1258 O GLU A 80 -4.486 -5.815 11.480 1.00 0.00 O ATOM 1259 CB GLU A 80 -7.099 -6.901 13.420 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.183 -7.115 14.922 1.00 0.00 C ATOM 1261 CD GLU A 80 -7.893 -8.404 15.289 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -9.068 -8.566 14.898 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -7.274 -9.250 15.967 1.00 0.00 O ATOM 0 H GLU A 80 -8.081 -4.627 13.522 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.514 -5.485 13.739 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.108 -6.835 13.014 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.628 -7.771 12.963 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.177 -7.127 15.340 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.707 -6.274 15.376 1.00 0.00 H new ATOM 1270 N ASN A 81 -6.562 -6.014 10.637 1.00 0.00 N ATOM 1271 CA ASN A 81 -6.105 -6.205 9.265 1.00 0.00 C ATOM 1272 C ASN A 81 -4.891 -5.330 8.969 1.00 0.00 C ATOM 1273 O ASN A 81 -3.787 -5.834 8.756 1.00 0.00 O ATOM 1274 CB ASN A 81 -7.231 -5.884 8.281 1.00 0.00 C ATOM 1275 CG ASN A 81 -8.411 -6.826 8.425 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -8.688 -7.330 9.514 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -9.112 -7.069 7.324 1.00 0.00 N ATOM 0 H ASN A 81 -7.575 -6.032 10.751 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.815 -7.249 9.147 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.567 -4.859 8.439 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.847 -5.940 7.263 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.916 -7.695 7.359 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.846 -6.629 6.443 1.00 0.00 H new ATOM 1284 N ILE A 82 -5.102 -4.019 8.958 1.00 0.00 N ATOM 1285 CA ILE A 82 -4.025 -3.074 8.690 1.00 0.00 C ATOM 1286 C ILE A 82 -2.863 -3.276 9.656 1.00 0.00 C ATOM 1287 O ILE A 82 -1.698 -3.207 9.265 1.00 0.00 O ATOM 1288 CB ILE A 82 -4.515 -1.617 8.792 1.00 0.00 C ATOM 1289 CG1 ILE A 82 -5.639 -1.362 7.786 1.00 0.00 C ATOM 1290 CG2 ILE A 82 -3.362 -0.653 8.562 1.00 0.00 C ATOM 1291 CD1 ILE A 82 -6.546 -0.214 8.170 1.00 0.00 C ATOM 0 H ILE A 82 -6.009 -3.586 9.132 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.685 -3.264 7.672 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.907 -1.451 9.795 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.201 -1.157 6.809 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.237 -2.268 7.684 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.724 0.372 8.637 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.591 -0.822 9.314 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.943 -0.818 7.569 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.319 -0.091 7.411 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.012 -0.425 9.132 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.961 0.703 8.244 1.00 0.00 H new ATOM 1303 N ASP A 83 -3.188 -3.529 10.919 1.00 0.00 N ATOM 1304 CA ASP A 83 -2.171 -3.745 11.942 1.00 0.00 C ATOM 1305 C ASP A 83 -1.200 -4.842 11.519 1.00 0.00 C ATOM 1306 O ASP A 83 0.015 -4.649 11.533 1.00 0.00 O ATOM 1307 CB ASP A 83 -2.827 -4.112 13.274 1.00 0.00 C ATOM 1308 CG ASP A 83 -2.012 -3.653 14.467 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -2.153 -2.478 14.864 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -1.232 -4.468 15.002 1.00 0.00 O ATOM 0 H ASP A 83 -4.148 -3.590 11.259 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.612 -2.818 12.065 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.820 -3.665 13.322 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.962 -5.193 13.324 1.00 0.00 H new ATOM 1315 N ALA A 84 -1.745 -5.996 11.145 1.00 0.00 N ATOM 1316 CA ALA A 84 -0.927 -7.124 10.718 1.00 0.00 C ATOM 1317 C ALA A 84 0.096 -6.695 9.671 1.00 0.00 C ATOM 1318 O ALA A 84 1.254 -7.111 9.714 1.00 0.00 O ATOM 1319 CB ALA A 84 -1.808 -8.238 10.172 1.00 0.00 C ATOM 0 H ALA A 84 -2.749 -6.173 11.129 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.385 -7.497 11.587 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.184 -9.074 9.857 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.496 -8.571 10.949 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.376 -7.867 9.319 1.00 0.00 H new ATOM 1325 N CYS A 85 -0.340 -5.863 8.731 1.00 0.00 N ATOM 1326 CA CYS A 85 0.538 -5.379 7.672 1.00 0.00 C ATOM 1327 C CYS A 85 1.662 -4.523 8.246 1.00 0.00 C ATOM 1328 O CYS A 85 2.832 -4.707 7.906 1.00 0.00 O ATOM 1329 CB CYS A 85 -0.261 -4.573 6.647 1.00 0.00 C ATOM 1330 SG CYS A 85 -1.662 -5.467 5.934 1.00 0.00 S ATOM 0 H CYS A 85 -1.296 -5.510 8.681 1.00 0.00 H new ATOM 0 HA CYS A 85 0.981 -6.244 7.178 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.628 -3.663 7.122 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.407 -4.265 5.843 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.560 -5.670 6.852 1.00 0.00 H new ATOM 1336 N LEU A 86 1.300 -3.586 9.115 1.00 0.00 N ATOM 1337 CA LEU A 86 2.278 -2.699 9.736 1.00 0.00 C ATOM 1338 C LEU A 86 3.347 -3.499 10.474 1.00 0.00 C ATOM 1339 O LEU A 86 4.542 -3.257 10.308 1.00 0.00 O ATOM 1340 CB LEU A 86 1.584 -1.740 10.704 1.00 0.00 C ATOM 1341 CG LEU A 86 0.498 -0.848 10.101 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -0.293 -0.153 11.199 1.00 0.00 C ATOM 1343 CD2 LEU A 86 1.111 0.174 9.155 1.00 0.00 C ATOM 0 H LEU A 86 0.336 -3.421 9.406 1.00 0.00 H new ATOM 0 HA LEU A 86 2.761 -2.122 8.947 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.140 -2.326 11.509 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.342 -1.100 11.156 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.186 -1.477 9.531 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.061 0.477 10.751 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.764 -0.901 11.837 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.379 0.463 11.797 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.323 0.800 8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.818 0.798 9.702 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.632 -0.343 8.349 1.00 0.00 H new ATOM 1355 N ASN A 87 2.908 -4.453 11.288 1.00 0.00 N ATOM 1356 CA ASN A 87 3.828 -5.290 12.050 1.00 0.00 C ATOM 1357 C ASN A 87 4.601 -6.229 11.128 1.00 0.00 C ATOM 1358 O ASN A 87 5.805 -6.426 11.294 1.00 0.00 O ATOM 1359 CB ASN A 87 3.063 -6.102 13.097 1.00 0.00 C ATOM 1360 CG ASN A 87 2.422 -5.224 14.154 1.00 0.00 C ATOM 1361 OD1 ASN A 87 3.094 -4.735 15.063 1.00 0.00 O ATOM 1362 ND2 ASN A 87 1.115 -5.019 14.040 1.00 0.00 N ATOM 0 H ASN A 87 1.922 -4.666 11.437 1.00 0.00 H new ATOM 0 HA ASN A 87 4.540 -4.637 12.555 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.292 -6.693 12.602 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.744 -6.805 13.577 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.629 -4.437 14.722 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.597 -5.444 13.271 1.00 0.00 H new ATOM 1369 N PHE A 88 3.901 -6.804 10.157 1.00 0.00 N ATOM 1370 CA PHE A 88 4.520 -7.722 9.208 1.00 0.00 C ATOM 1371 C PHE A 88 5.613 -7.020 8.407 1.00 0.00 C ATOM 1372 O PHE A 88 6.666 -7.597 8.133 1.00 0.00 O ATOM 1373 CB PHE A 88 3.466 -8.298 8.260 1.00 0.00 C ATOM 1374 CG PHE A 88 4.050 -8.954 7.042 1.00 0.00 C ATOM 1375 CD1 PHE A 88 4.301 -8.218 5.895 1.00 0.00 C ATOM 1376 CD2 PHE A 88 4.349 -10.307 7.044 1.00 0.00 C ATOM 1377 CE1 PHE A 88 4.838 -8.819 4.772 1.00 0.00 C ATOM 1378 CE2 PHE A 88 4.887 -10.913 5.924 1.00 0.00 C ATOM 1379 CZ PHE A 88 5.131 -10.169 4.787 1.00 0.00 C ATOM 0 H PHE A 88 2.904 -6.651 10.006 1.00 0.00 H new ATOM 0 HA PHE A 88 4.974 -8.537 9.772 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.862 -9.026 8.801 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.795 -7.498 7.946 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.074 -7.162 5.878 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.160 -10.895 7.930 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.028 -8.234 3.884 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.116 -11.968 5.938 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.550 -10.641 3.911 1.00 0.00 H new ATOM 1389 N LEU A 89 5.354 -5.772 8.032 1.00 0.00 N ATOM 1390 CA LEU A 89 6.314 -4.990 7.261 1.00 0.00 C ATOM 1391 C LEU A 89 7.542 -4.653 8.101 1.00 0.00 C ATOM 1392 O LEU A 89 8.676 -4.850 7.667 1.00 0.00 O ATOM 1393 CB LEU A 89 5.662 -3.704 6.752 1.00 0.00 C ATOM 1394 CG LEU A 89 4.637 -3.870 5.629 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.000 -2.532 5.286 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.289 -4.483 4.398 1.00 0.00 C ATOM 0 H LEU A 89 4.487 -5.280 8.249 1.00 0.00 H new ATOM 0 HA LEU A 89 6.633 -5.590 6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.174 -3.211 7.592 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.449 -3.035 6.403 1.00 0.00 H new ATOM 0 HG LEU A 89 3.854 -4.545 5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.274 -2.670 4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.498 -2.132 6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.772 -1.835 4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.545 -4.594 3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.092 -3.834 4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.697 -5.461 4.652 1.00 0.00 H new ATOM 1408 N ALA A 90 7.307 -4.146 9.307 1.00 0.00 N ATOM 1409 CA ALA A 90 8.393 -3.787 10.210 1.00 0.00 C ATOM 1410 C ALA A 90 9.464 -4.871 10.239 1.00 0.00 C ATOM 1411 O ALA A 90 10.645 -4.597 10.024 1.00 0.00 O ATOM 1412 CB ALA A 90 7.854 -3.536 11.610 1.00 0.00 C ATOM 0 H ALA A 90 6.374 -3.975 9.681 1.00 0.00 H new ATOM 0 HA ALA A 90 8.852 -2.870 9.840 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.676 -3.269 12.274 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.131 -2.720 11.581 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.368 -4.439 11.980 1.00 0.00 H new ATOM 1418 N ALA A 91 9.045 -6.103 10.508 1.00 0.00 N ATOM 1419 CA ALA A 91 9.969 -7.229 10.564 1.00 0.00 C ATOM 1420 C ALA A 91 10.856 -7.274 9.324 1.00 0.00 C ATOM 1421 O ALA A 91 12.013 -7.690 9.390 1.00 0.00 O ATOM 1422 CB ALA A 91 9.202 -8.535 10.715 1.00 0.00 C ATOM 0 H ALA A 91 8.072 -6.347 10.691 1.00 0.00 H new ATOM 0 HA ALA A 91 10.612 -7.096 11.434 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.905 -9.367 10.755 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.617 -8.509 11.634 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.534 -8.665 9.863 1.00 0.00 H new ATOM 1428 N LYS A 92 10.306 -6.844 8.193 1.00 0.00 N ATOM 1429 CA LYS A 92 11.046 -6.835 6.937 1.00 0.00 C ATOM 1430 C LYS A 92 12.127 -5.758 6.951 1.00 0.00 C ATOM 1431 O LYS A 92 13.136 -5.870 6.256 1.00 0.00 O ATOM 1432 CB LYS A 92 10.094 -6.602 5.762 1.00 0.00 C ATOM 1433 CG LYS A 92 8.936 -7.584 5.713 1.00 0.00 C ATOM 1434 CD LYS A 92 9.404 -8.979 5.334 1.00 0.00 C ATOM 1435 CE LYS A 92 8.315 -10.015 5.568 1.00 0.00 C ATOM 1436 NZ LYS A 92 8.020 -10.191 7.017 1.00 0.00 N ATOM 0 H LYS A 92 9.350 -6.497 8.121 1.00 0.00 H new ATOM 0 HA LYS A 92 11.526 -7.806 6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.698 -5.588 5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.656 -6.670 4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.443 -7.616 6.685 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.195 -7.239 4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.701 -8.992 4.285 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.287 -9.239 5.918 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.407 -9.712 5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.624 -10.969 5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.487 -11.073 7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.912 -10.237 7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.455 -9.387 7.356 1.00 0.00 H new ATOM 1450 N GLY A 93 11.908 -4.717 7.748 1.00 0.00 N ATOM 1451 CA GLY A 93 12.873 -3.636 7.837 1.00 0.00 C ATOM 1452 C GLY A 93 12.285 -2.299 7.434 1.00 0.00 C ATOM 1453 O GLY A 93 12.997 -1.425 6.937 1.00 0.00 O ATOM 0 H GLY A 93 11.081 -4.603 8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.248 -3.571 8.858 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.726 -3.862 7.198 1.00 0.00 H new ATOM 1457 N ILE A 94 10.983 -2.138 7.646 1.00 0.00 N ATOM 1458 CA ILE A 94 10.301 -0.898 7.299 1.00 0.00 C ATOM 1459 C ILE A 94 9.811 -0.173 8.548 1.00 0.00 C ATOM 1460 O ILE A 94 9.567 -0.793 9.583 1.00 0.00 O ATOM 1461 CB ILE A 94 9.103 -1.156 6.366 1.00 0.00 C ATOM 1462 CG1 ILE A 94 9.557 -1.911 5.115 1.00 0.00 C ATOM 1463 CG2 ILE A 94 8.435 0.157 5.987 1.00 0.00 C ATOM 1464 CD1 ILE A 94 8.418 -2.538 4.341 1.00 0.00 C ATOM 0 H ILE A 94 10.380 -2.851 8.056 1.00 0.00 H new ATOM 0 HA ILE A 94 11.027 -0.273 6.780 1.00 0.00 H new ATOM 0 HB ILE A 94 8.375 -1.772 6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 94 10.095 -1.224 4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.260 -2.691 5.406 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.590 -0.042 5.327 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.082 0.659 6.888 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.154 0.796 5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 94 8.814 -3.056 3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.893 -3.250 4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.726 -1.760 4.019 1.00 0.00 H new ATOM 1526 N GLY A 98 5.727 5.483 13.072 1.00 0.00 N ATOM 1527 CA GLY A 98 5.138 6.745 12.665 1.00 0.00 C ATOM 1528 C GLY A 98 3.712 6.588 12.175 1.00 0.00 C ATOM 1529 O GLY A 98 2.826 7.349 12.566 1.00 0.00 O ATOM 0 HA2 GLY A 98 5.156 7.439 13.506 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.744 7.187 11.874 1.00 0.00 H new ATOM 1533 N LEU A 99 3.489 5.600 11.316 1.00 0.00 N ATOM 1534 CA LEU A 99 2.160 5.346 10.770 1.00 0.00 C ATOM 1535 C LEU A 99 1.164 5.037 11.884 1.00 0.00 C ATOM 1536 O LEU A 99 1.531 4.964 13.056 1.00 0.00 O ATOM 1537 CB LEU A 99 2.208 4.184 9.777 1.00 0.00 C ATOM 1538 CG LEU A 99 3.190 4.335 8.614 1.00 0.00 C ATOM 1539 CD1 LEU A 99 3.283 3.041 7.822 1.00 0.00 C ATOM 1540 CD2 LEU A 99 2.774 5.487 7.711 1.00 0.00 C ATOM 0 H LEU A 99 4.211 4.961 10.982 1.00 0.00 H new ATOM 0 HA LEU A 99 1.830 6.246 10.251 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.460 3.275 10.324 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.208 4.042 9.366 1.00 0.00 H new ATOM 0 HG LEU A 99 4.176 4.558 9.023 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.986 3.168 6.999 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.629 2.239 8.474 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.301 2.787 7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.484 5.580 6.889 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.779 5.294 7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.761 6.413 8.285 1.00 0.00 H new ATOM 1552 N SER A 100 -0.098 4.854 11.508 1.00 0.00 N ATOM 1553 CA SER A 100 -1.147 4.553 12.475 1.00 0.00 C ATOM 1554 C SER A 100 -2.308 3.822 11.807 1.00 0.00 C ATOM 1555 O SER A 100 -2.940 4.344 10.890 1.00 0.00 O ATOM 1556 CB SER A 100 -1.650 5.841 13.130 1.00 0.00 C ATOM 1557 OG SER A 100 -0.794 6.245 14.184 1.00 0.00 O ATOM 0 H SER A 100 -0.418 4.909 10.541 1.00 0.00 H new ATOM 0 HA SER A 100 -0.725 3.904 13.242 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.711 6.633 12.383 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.658 5.687 13.515 1.00 0.00 H new ATOM 0 HG SER A 100 0.086 5.829 14.069 1.00 0.00 H new ATOM 1563 N ALA A 101 -2.582 2.609 12.276 1.00 0.00 N ATOM 1564 CA ALA A 101 -3.667 1.805 11.727 1.00 0.00 C ATOM 1565 C ALA A 101 -4.984 2.574 11.747 1.00 0.00 C ATOM 1566 O ALA A 101 -5.680 2.658 10.736 1.00 0.00 O ATOM 1567 CB ALA A 101 -3.802 0.502 12.500 1.00 0.00 C ATOM 0 H ALA A 101 -2.068 2.162 13.035 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.427 1.575 10.689 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.616 -0.088 12.079 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.871 -0.061 12.429 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.016 0.720 13.546 1.00 0.00 H new ATOM 1573 N GLU A 102 -5.320 3.132 12.906 1.00 0.00 N ATOM 1574 CA GLU A 102 -6.556 3.892 13.057 1.00 0.00 C ATOM 1575 C GLU A 102 -6.687 4.941 11.957 1.00 0.00 C ATOM 1576 O GLU A 102 -7.689 4.986 11.244 1.00 0.00 O ATOM 1577 CB GLU A 102 -6.600 4.567 14.429 1.00 0.00 C ATOM 1578 CG GLU A 102 -7.984 5.057 14.822 1.00 0.00 C ATOM 1579 CD GLU A 102 -7.947 6.068 15.952 1.00 0.00 C ATOM 1580 OE1 GLU A 102 -7.479 5.710 17.053 1.00 0.00 O ATOM 1581 OE2 GLU A 102 -8.385 7.217 15.733 1.00 0.00 O ATOM 0 H GLU A 102 -4.755 3.072 13.753 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.392 3.198 12.974 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.245 3.863 15.182 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.911 5.411 14.432 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.466 5.506 13.954 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.595 4.206 15.121 1.00 0.00 H new ATOM 1588 N GLU A 103 -5.667 5.784 11.826 1.00 0.00 N ATOM 1589 CA GLU A 103 -5.669 6.834 10.814 1.00 0.00 C ATOM 1590 C GLU A 103 -5.853 6.244 9.419 1.00 0.00 C ATOM 1591 O GLU A 103 -6.643 6.748 8.620 1.00 0.00 O ATOM 1592 CB GLU A 103 -4.365 7.633 10.874 1.00 0.00 C ATOM 1593 CG GLU A 103 -4.096 8.259 12.232 1.00 0.00 C ATOM 1594 CD GLU A 103 -4.837 9.567 12.429 1.00 0.00 C ATOM 1595 OE1 GLU A 103 -5.971 9.689 11.919 1.00 0.00 O ATOM 1596 OE2 GLU A 103 -4.283 10.469 13.092 1.00 0.00 O ATOM 0 H GLU A 103 -4.829 5.760 12.408 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.506 7.501 11.021 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.534 6.976 10.615 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.396 8.420 10.120 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.388 7.559 13.015 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.026 8.432 12.342 1.00 0.00 H new ATOM 1603 N ILE A 104 -5.119 5.174 9.134 1.00 0.00 N ATOM 1604 CA ILE A 104 -5.201 4.516 7.836 1.00 0.00 C ATOM 1605 C ILE A 104 -6.623 4.047 7.547 1.00 0.00 C ATOM 1606 O ILE A 104 -7.174 4.322 6.481 1.00 0.00 O ATOM 1607 CB ILE A 104 -4.248 3.308 7.755 1.00 0.00 C ATOM 1608 CG1 ILE A 104 -2.792 3.776 7.808 1.00 0.00 C ATOM 1609 CG2 ILE A 104 -4.509 2.512 6.486 1.00 0.00 C ATOM 1610 CD1 ILE A 104 -1.793 2.640 7.813 1.00 0.00 C ATOM 0 H ILE A 104 -4.461 4.744 9.784 1.00 0.00 H new ATOM 0 HA ILE A 104 -4.904 5.253 7.090 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.433 2.659 8.611 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.594 4.420 6.951 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.646 4.382 8.702 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.828 1.662 6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.538 2.153 6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.348 3.150 5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.782 3.045 7.852 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.964 2.009 8.685 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.912 2.047 6.906 1.00 0.00 H new ATOM 1622 N ARG A 105 -7.213 3.339 8.505 1.00 0.00 N ATOM 1623 CA ARG A 105 -8.572 2.832 8.353 1.00 0.00 C ATOM 1624 C ARG A 105 -9.532 3.956 7.972 1.00 0.00 C ATOM 1625 O ARG A 105 -10.454 3.756 7.183 1.00 0.00 O ATOM 1626 CB ARG A 105 -9.038 2.166 9.649 1.00 0.00 C ATOM 1627 CG ARG A 105 -10.348 1.409 9.508 1.00 0.00 C ATOM 1628 CD ARG A 105 -10.953 1.085 10.865 1.00 0.00 C ATOM 1629 NE ARG A 105 -12.413 1.062 10.821 1.00 0.00 N ATOM 1630 CZ ARG A 105 -13.155 2.114 10.495 1.00 0.00 C ATOM 1631 NH1 ARG A 105 -12.577 3.267 10.184 1.00 0.00 N ATOM 1632 NH2 ARG A 105 -14.478 2.015 10.478 1.00 0.00 N ATOM 0 H ARG A 105 -6.772 3.104 9.394 1.00 0.00 H new ATOM 0 HA ARG A 105 -8.570 2.092 7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -8.266 1.478 9.992 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -9.150 2.929 10.420 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.053 2.004 8.927 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.178 0.486 8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.585 0.117 11.204 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -10.624 1.825 11.595 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.889 0.190 11.053 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.560 3.347 10.195 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.149 4.073 9.934 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.926 1.130 10.716 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.047 2.824 10.227 1.00 0.00 H new ATOM 1646 N ASN A 106 -9.307 5.136 8.540 1.00 0.00 N ATOM 1647 CA ASN A 106 -10.153 6.291 8.261 1.00 0.00 C ATOM 1648 C ASN A 106 -9.972 6.763 6.821 1.00 0.00 C ATOM 1649 O ASN A 106 -10.885 7.330 6.223 1.00 0.00 O ATOM 1650 CB ASN A 106 -9.829 7.432 9.227 1.00 0.00 C ATOM 1651 CG ASN A 106 -10.276 7.133 10.645 1.00 0.00 C ATOM 1652 OD1 ASN A 106 -11.461 6.924 10.904 1.00 0.00 O ATOM 1653 ND2 ASN A 106 -9.325 7.112 11.572 1.00 0.00 N ATOM 0 H ASN A 106 -8.547 5.318 9.196 1.00 0.00 H new ATOM 0 HA ASN A 106 -11.192 5.991 8.399 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.755 7.617 9.219 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.313 8.346 8.881 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.565 6.917 12.544 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.355 7.291 11.312 1.00 0.00 H new ATOM 1660 N GLY A 107 -8.786 6.523 6.270 1.00 0.00 N ATOM 1661 CA GLY A 107 -8.506 6.929 4.905 1.00 0.00 C ATOM 1662 C GLY A 107 -7.788 8.262 4.832 1.00 0.00 C ATOM 1663 O GLY A 107 -7.924 8.995 3.853 1.00 0.00 O ATOM 0 H GLY A 107 -8.014 6.055 6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.898 6.165 4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.441 6.993 4.349 1.00 0.00 H new ATOM 1667 N ASN A 108 -7.023 8.578 5.871 1.00 0.00 N ATOM 1668 CA ASN A 108 -6.282 9.833 5.922 1.00 0.00 C ATOM 1669 C ASN A 108 -5.080 9.794 4.983 1.00 0.00 C ATOM 1670 O ASN A 108 -4.073 9.147 5.272 1.00 0.00 O ATOM 1671 CB ASN A 108 -5.817 10.118 7.351 1.00 0.00 C ATOM 1672 CG ASN A 108 -5.678 11.602 7.629 1.00 0.00 C ATOM 1673 OD1 ASN A 108 -6.439 12.417 7.106 1.00 0.00 O ATOM 1674 ND2 ASN A 108 -4.703 11.960 8.457 1.00 0.00 N ATOM 0 H ASN A 108 -6.900 7.982 6.690 1.00 0.00 H new ATOM 0 HA ASN A 108 -6.949 10.632 5.598 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -6.528 9.684 8.055 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -4.859 9.628 7.523 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.561 12.945 8.682 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -4.096 11.250 8.867 1.00 0.00 H new ATOM 1681 N LEU A 109 -5.194 10.491 3.857 1.00 0.00 N ATOM 1682 CA LEU A 109 -4.116 10.537 2.874 1.00 0.00 C ATOM 1683 C LEU A 109 -2.755 10.582 3.561 1.00 0.00 C ATOM 1684 O LEU A 109 -1.855 9.809 3.231 1.00 0.00 O ATOM 1685 CB LEU A 109 -4.282 11.755 1.964 1.00 0.00 C ATOM 1686 CG LEU A 109 -3.748 11.605 0.539 1.00 0.00 C ATOM 1687 CD1 LEU A 109 -4.583 10.600 -0.240 1.00 0.00 C ATOM 1688 CD2 LEU A 109 -3.733 12.952 -0.170 1.00 0.00 C ATOM 0 H LEU A 109 -6.021 11.031 3.602 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.168 9.631 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.342 12.001 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.782 12.603 2.431 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.725 11.234 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.189 10.506 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.543 9.631 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.617 10.942 -0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.350 12.826 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.746 13.352 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.092 13.644 0.377 1.00 0.00 H new ATOM 1700 N LYS A 110 -2.611 11.491 4.519 1.00 0.00 N ATOM 1701 CA LYS A 110 -1.361 11.636 5.255 1.00 0.00 C ATOM 1702 C LYS A 110 -0.853 10.281 5.737 1.00 0.00 C ATOM 1703 O LYS A 110 0.341 9.991 5.657 1.00 0.00 O ATOM 1704 CB LYS A 110 -1.554 12.574 6.449 1.00 0.00 C ATOM 1705 CG LYS A 110 -1.286 14.033 6.126 1.00 0.00 C ATOM 1706 CD LYS A 110 0.179 14.272 5.801 1.00 0.00 C ATOM 1707 CE LYS A 110 0.539 15.747 5.901 1.00 0.00 C ATOM 1708 NZ LYS A 110 2.009 15.953 6.008 1.00 0.00 N ATOM 0 H LYS A 110 -3.345 12.139 4.804 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.619 12.064 4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.575 12.474 6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.892 12.262 7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.902 14.338 5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.578 14.654 6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.803 13.697 6.485 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.393 13.912 4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.161 16.273 5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.047 16.183 6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.213 16.971 6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 2.366 15.472 6.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 2.477 15.560 5.166 1.00 0.00 H new ATOM 1722 N ALA A 111 -1.767 9.454 6.234 1.00 0.00 N ATOM 1723 CA ALA A 111 -1.411 8.128 6.725 1.00 0.00 C ATOM 1724 C ALA A 111 -1.075 7.188 5.572 1.00 0.00 C ATOM 1725 O ALA A 111 0.058 6.723 5.449 1.00 0.00 O ATOM 1726 CB ALA A 111 -2.544 7.555 7.564 1.00 0.00 C ATOM 0 H ALA A 111 -2.759 9.679 6.307 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.523 8.224 7.350 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.265 6.565 7.924 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.735 8.210 8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.445 7.479 6.955 1.00 0.00 H new ATOM 1732 N ILE A 112 -2.067 6.913 4.731 1.00 0.00 N ATOM 1733 CA ILE A 112 -1.875 6.029 3.589 1.00 0.00 C ATOM 1734 C ILE A 112 -0.564 6.332 2.873 1.00 0.00 C ATOM 1735 O ILE A 112 0.318 5.476 2.781 1.00 0.00 O ATOM 1736 CB ILE A 112 -3.036 6.149 2.583 1.00 0.00 C ATOM 1737 CG1 ILE A 112 -4.349 5.708 3.231 1.00 0.00 C ATOM 1738 CG2 ILE A 112 -2.748 5.320 1.340 1.00 0.00 C ATOM 1739 CD1 ILE A 112 -5.097 6.835 3.910 1.00 0.00 C ATOM 0 H ILE A 112 -3.011 7.290 4.820 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.846 5.012 3.979 1.00 0.00 H new ATOM 0 HB ILE A 112 -3.132 7.193 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.990 5.265 2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.139 4.929 3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.577 5.415 0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.832 5.677 0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.628 4.274 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -6.018 6.449 4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.474 7.264 4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.338 7.605 3.177 1.00 0.00 H new ATOM 1751 N LEU A 113 -0.440 7.554 2.368 1.00 0.00 N ATOM 1752 CA LEU A 113 0.766 7.972 1.662 1.00 0.00 C ATOM 1753 C LEU A 113 2.018 7.510 2.401 1.00 0.00 C ATOM 1754 O LEU A 113 2.977 7.043 1.787 1.00 0.00 O ATOM 1755 CB LEU A 113 0.786 9.493 1.502 1.00 0.00 C ATOM 1756 CG LEU A 113 -0.350 10.096 0.675 1.00 0.00 C ATOM 1757 CD1 LEU A 113 -0.297 11.615 0.723 1.00 0.00 C ATOM 1758 CD2 LEU A 113 -0.283 9.603 -0.763 1.00 0.00 C ATOM 0 H LEU A 113 -1.160 8.273 2.434 1.00 0.00 H new ATOM 0 HA LEU A 113 0.758 7.509 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.764 9.943 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.733 9.778 1.044 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.298 9.772 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.113 12.026 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.395 11.950 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.655 11.959 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.099 10.042 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 113 0.670 9.896 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.372 8.517 -0.780 1.00 0.00 H new ATOM 1770 N GLY A 114 2.000 7.642 3.724 1.00 0.00 N ATOM 1771 CA GLY A 114 3.139 7.232 4.525 1.00 0.00 C ATOM 1772 C GLY A 114 3.437 5.752 4.394 1.00 0.00 C ATOM 1773 O GLY A 114 4.586 5.358 4.192 1.00 0.00 O ATOM 0 H GLY A 114 1.218 8.025 4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.016 7.804 4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.948 7.470 5.571 1.00 0.00 H new ATOM 1777 N LEU A 115 2.401 4.929 4.511 1.00 0.00 N ATOM 1778 CA LEU A 115 2.557 3.482 4.406 1.00 0.00 C ATOM 1779 C LEU A 115 3.234 3.102 3.093 1.00 0.00 C ATOM 1780 O LEU A 115 4.285 2.461 3.088 1.00 0.00 O ATOM 1781 CB LEU A 115 1.195 2.793 4.509 1.00 0.00 C ATOM 1782 CG LEU A 115 1.095 1.406 3.874 1.00 0.00 C ATOM 1783 CD1 LEU A 115 0.101 0.542 4.633 1.00 0.00 C ATOM 1784 CD2 LEU A 115 0.697 1.519 2.409 1.00 0.00 C ATOM 0 H LEU A 115 1.444 5.239 4.679 1.00 0.00 H new ATOM 0 HA LEU A 115 3.189 3.149 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 115 0.932 2.708 5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.448 3.438 4.045 1.00 0.00 H new ATOM 0 HG LEU A 115 2.074 0.930 3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.043 -0.441 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.428 0.434 5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.882 1.013 4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.630 0.523 1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.271 2.014 2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.446 2.101 1.872 1.00 0.00 H new ATOM 1796 N PHE A 116 2.625 3.502 1.982 1.00 0.00 N ATOM 1797 CA PHE A 116 3.170 3.204 0.662 1.00 0.00 C ATOM 1798 C PHE A 116 4.494 3.930 0.444 1.00 0.00 C ATOM 1799 O PHE A 116 5.350 3.468 -0.311 1.00 0.00 O ATOM 1800 CB PHE A 116 2.171 3.603 -0.426 1.00 0.00 C ATOM 1801 CG PHE A 116 1.223 2.500 -0.803 1.00 0.00 C ATOM 1802 CD1 PHE A 116 1.610 1.508 -1.688 1.00 0.00 C ATOM 1803 CD2 PHE A 116 -0.056 2.457 -0.271 1.00 0.00 C ATOM 1804 CE1 PHE A 116 0.739 0.492 -2.036 1.00 0.00 C ATOM 1805 CE2 PHE A 116 -0.930 1.444 -0.615 1.00 0.00 C ATOM 1806 CZ PHE A 116 -0.533 0.461 -1.500 1.00 0.00 C ATOM 0 H PHE A 116 1.754 4.033 1.969 1.00 0.00 H new ATOM 0 HA PHE A 116 3.351 2.131 0.604 1.00 0.00 H new ATOM 0 HB2 PHE A 116 1.597 4.463 -0.083 1.00 0.00 H new ATOM 0 HB3 PHE A 116 2.719 3.919 -1.313 1.00 0.00 H new ATOM 0 HD1 PHE A 116 2.603 1.528 -2.111 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -0.373 3.224 0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 116 1.053 -0.277 -2.726 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -1.923 1.421 -0.192 1.00 0.00 H new ATOM 0 HZ PHE A 116 -1.216 -0.330 -1.772 1.00 0.00 H new ATOM 1816 N PHE A 117 4.655 5.068 1.110 1.00 0.00 N ATOM 1817 CA PHE A 117 5.874 5.860 0.988 1.00 0.00 C ATOM 1818 C PHE A 117 7.077 5.092 1.527 1.00 0.00 C ATOM 1819 O PHE A 117 8.177 5.178 0.983 1.00 0.00 O ATOM 1820 CB PHE A 117 5.723 7.185 1.736 1.00 0.00 C ATOM 1821 CG PHE A 117 7.020 7.919 1.923 1.00 0.00 C ATOM 1822 CD1 PHE A 117 7.984 7.440 2.795 1.00 0.00 C ATOM 1823 CD2 PHE A 117 7.276 9.089 1.225 1.00 0.00 C ATOM 1824 CE1 PHE A 117 9.179 8.113 2.969 1.00 0.00 C ATOM 1825 CE2 PHE A 117 8.469 9.766 1.394 1.00 0.00 C ATOM 1826 CZ PHE A 117 9.421 9.278 2.268 1.00 0.00 C ATOM 0 H PHE A 117 3.957 5.463 1.740 1.00 0.00 H new ATOM 0 HA PHE A 117 6.041 6.065 -0.069 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.029 7.824 1.190 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.279 6.993 2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 117 7.800 6.529 3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.535 9.476 0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 117 9.922 7.728 3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 117 8.657 10.676 0.843 1.00 0.00 H new ATOM 0 HZ PHE A 117 10.353 9.807 2.403 1.00 0.00 H new ATOM 1836 N SER A 118 6.859 4.341 2.602 1.00 0.00 N ATOM 1837 CA SER A 118 7.925 3.560 3.219 1.00 0.00 C ATOM 1838 C SER A 118 7.969 2.149 2.641 1.00 0.00 C ATOM 1839 O SER A 118 9.030 1.656 2.257 1.00 0.00 O ATOM 1840 CB SER A 118 7.728 3.498 4.735 1.00 0.00 C ATOM 1841 OG SER A 118 6.411 3.091 5.062 1.00 0.00 O ATOM 0 H SER A 118 5.953 4.257 3.064 1.00 0.00 H new ATOM 0 HA SER A 118 8.874 4.051 3.003 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.445 2.802 5.170 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.928 4.477 5.171 1.00 0.00 H new ATOM 0 HG SER A 118 5.795 3.843 4.936 1.00 0.00 H new ATOM 1847 N LEU A 119 6.809 1.504 2.584 1.00 0.00 N ATOM 1848 CA LEU A 119 6.713 0.148 2.053 1.00 0.00 C ATOM 1849 C LEU A 119 7.552 -0.002 0.788 1.00 0.00 C ATOM 1850 O LEU A 119 8.480 -0.809 0.738 1.00 0.00 O ATOM 1851 CB LEU A 119 5.254 -0.202 1.757 1.00 0.00 C ATOM 1852 CG LEU A 119 5.027 -1.377 0.804 1.00 0.00 C ATOM 1853 CD1 LEU A 119 5.521 -2.673 1.428 1.00 0.00 C ATOM 1854 CD2 LEU A 119 3.554 -1.487 0.436 1.00 0.00 C ATOM 0 H LEU A 119 5.922 1.898 2.899 1.00 0.00 H new ATOM 0 HA LEU A 119 7.099 -0.539 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.755 -0.424 2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.767 0.679 1.339 1.00 0.00 H new ATOM 0 HG LEU A 119 5.597 -1.197 -0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.351 -3.498 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.587 -2.591 1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.979 -2.860 2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.410 -2.328 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.964 -1.644 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.231 -0.568 -0.052 1.00 0.00 H new ATOM 1866 N SER A 120 7.220 0.782 -0.232 1.00 0.00 N ATOM 1867 CA SER A 120 7.941 0.736 -1.499 1.00 0.00 C ATOM 1868 C SER A 120 9.435 0.531 -1.266 1.00 0.00 C ATOM 1869 O SER A 120 10.042 -0.384 -1.823 1.00 0.00 O ATOM 1870 CB SER A 120 7.709 2.024 -2.290 1.00 0.00 C ATOM 1871 OG SER A 120 8.029 1.847 -3.659 1.00 0.00 O ATOM 0 H SER A 120 6.456 1.457 -0.206 1.00 0.00 H new ATOM 0 HA SER A 120 7.561 -0.108 -2.074 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.668 2.331 -2.194 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.318 2.826 -1.872 1.00 0.00 H new ATOM 0 HG SER A 120 7.464 1.142 -4.039 1.00 0.00 H new ATOM 1877 N ARG A 121 10.021 1.390 -0.439 1.00 0.00 N ATOM 1878 CA ARG A 121 11.444 1.306 -0.132 1.00 0.00 C ATOM 1879 C ARG A 121 11.890 -0.149 -0.018 1.00 0.00 C ATOM 1880 O ARG A 121 12.924 -0.536 -0.563 1.00 0.00 O ATOM 1881 CB ARG A 121 11.752 2.048 1.169 1.00 0.00 C ATOM 1882 CG ARG A 121 11.357 3.515 1.142 1.00 0.00 C ATOM 1883 CD ARG A 121 11.875 4.255 2.366 1.00 0.00 C ATOM 1884 NE ARG A 121 11.335 3.705 3.606 1.00 0.00 N ATOM 1885 CZ ARG A 121 11.939 3.819 4.784 1.00 0.00 C ATOM 1886 NH1 ARG A 121 13.096 4.459 4.881 1.00 0.00 N ATOM 1887 NH2 ARG A 121 11.384 3.292 5.869 1.00 0.00 N ATOM 0 H ARG A 121 9.533 2.152 0.031 1.00 0.00 H new ATOM 0 HA ARG A 121 11.994 1.775 -0.948 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.231 1.555 1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.819 1.972 1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 121 11.751 3.982 0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 121 10.271 3.600 1.097 1.00 0.00 H new ATOM 0 HD2 ARG A 121 12.963 4.201 2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 121 11.610 5.310 2.291 1.00 0.00 H new ATOM 0 HE ARG A 121 10.446 3.206 3.566 1.00 0.00 H new ATOM 0 HH11 ARG A 121 13.525 4.866 4.050 1.00 0.00 H new ATOM 0 HH12 ARG A 121 13.557 4.545 5.787 1.00 0.00 H new ATOM 0 HH21 ARG A 121 10.494 2.799 5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 121 11.848 3.380 6.773 1.00 0.00 H new ATOM 1901 N TYR A 122 11.104 -0.950 0.693 1.00 0.00 N ATOM 1902 CA TYR A 122 11.420 -2.361 0.881 1.00 0.00 C ATOM 1903 C TYR A 122 11.927 -2.983 -0.417 1.00 0.00 C ATOM 1904 O TYR A 122 13.026 -3.536 -0.466 1.00 0.00 O ATOM 1905 CB TYR A 122 10.186 -3.119 1.374 1.00 0.00 C ATOM 1906 CG TYR A 122 10.327 -4.622 1.294 1.00 0.00 C ATOM 1907 CD1 TYR A 122 10.879 -5.346 2.344 1.00 0.00 C ATOM 1908 CD2 TYR A 122 9.908 -5.319 0.167 1.00 0.00 C ATOM 1909 CE1 TYR A 122 11.011 -6.719 2.274 1.00 0.00 C ATOM 1910 CE2 TYR A 122 10.034 -6.693 0.089 1.00 0.00 C ATOM 1911 CZ TYR A 122 10.586 -7.388 1.145 1.00 0.00 C ATOM 1912 OH TYR A 122 10.714 -8.756 1.072 1.00 0.00 O ATOM 0 H TYR A 122 10.243 -0.646 1.149 1.00 0.00 H new ATOM 0 HA TYR A 122 12.208 -2.435 1.630 1.00 0.00 H new ATOM 0 HB2 TYR A 122 9.985 -2.836 2.407 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.322 -2.812 0.785 1.00 0.00 H new ATOM 0 HD1 TYR A 122 11.211 -4.826 3.230 1.00 0.00 H new ATOM 0 HD2 TYR A 122 9.477 -4.778 -0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 122 11.444 -7.266 3.098 1.00 0.00 H new ATOM 0 HE2 TYR A 122 9.702 -7.220 -0.794 1.00 0.00 H new ATOM 0 HH TYR A 122 10.366 -9.072 0.212 1.00 0.00 H new ATOM 1922 N LYS A 123 11.119 -2.888 -1.467 1.00 0.00 N ATOM 1923 CA LYS A 123 11.484 -3.439 -2.766 1.00 0.00 C ATOM 1924 C LYS A 123 12.467 -2.523 -3.488 1.00 0.00 C ATOM 1925 O LYS A 123 13.540 -2.957 -3.907 1.00 0.00 O ATOM 1926 CB LYS A 123 10.235 -3.642 -3.626 1.00 0.00 C ATOM 1927 CG LYS A 123 10.446 -4.594 -4.791 1.00 0.00 C ATOM 1928 CD LYS A 123 10.307 -6.044 -4.359 1.00 0.00 C ATOM 1929 CE LYS A 123 9.797 -6.918 -5.495 1.00 0.00 C ATOM 1930 NZ LYS A 123 10.824 -7.102 -6.557 1.00 0.00 N ATOM 0 H LYS A 123 10.206 -2.434 -1.444 1.00 0.00 H new ATOM 0 HA LYS A 123 11.965 -4.403 -2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 123 9.430 -4.023 -2.998 1.00 0.00 H new ATOM 0 HB3 LYS A 123 9.909 -2.676 -4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.721 -4.376 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 123 11.436 -4.434 -5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 123 11.272 -6.417 -4.017 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.622 -6.109 -3.513 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.504 -7.891 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.904 -6.467 -5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.438 -7.703 -7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 11.086 -6.176 -6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 11.667 -7.556 -6.150 1.00 0.00 H new ATOM 1944 N GLN A 124 12.094 -1.255 -3.629 1.00 0.00 N ATOM 1945 CA GLN A 124 12.944 -0.279 -4.300 1.00 0.00 C ATOM 1946 C GLN A 124 14.417 -0.552 -4.013 1.00 0.00 C ATOM 1947 O GLN A 124 14.838 -0.583 -2.857 1.00 0.00 O ATOM 1948 CB GLN A 124 12.579 1.138 -3.855 1.00 0.00 C ATOM 1949 CG GLN A 124 11.513 1.792 -4.719 1.00 0.00 C ATOM 1950 CD GLN A 124 10.987 3.082 -4.120 1.00 0.00 C ATOM 1951 OE1 GLN A 124 11.183 3.355 -2.935 1.00 0.00 O ATOM 1952 NE2 GLN A 124 10.314 3.883 -4.937 1.00 0.00 N ATOM 0 H GLN A 124 11.209 -0.880 -3.288 1.00 0.00 H new ATOM 0 HA GLN A 124 12.779 -0.368 -5.374 1.00 0.00 H new ATOM 0 HB2 GLN A 124 12.230 1.107 -2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 124 13.476 1.757 -3.869 1.00 0.00 H new ATOM 0 HG2 GLN A 124 11.926 1.996 -5.707 1.00 0.00 H new ATOM 0 HG3 GLN A 124 10.686 1.096 -4.857 1.00 0.00 H new ATOM 0 HE21 GLN A 124 10.175 3.617 -5.912 1.00 0.00 H new ATOM 0 HE22 GLN A 124 9.936 4.764 -4.590 1.00 0.00 H new