USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 618 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 20 ASN : amide:sc= -0.263 K(o=-0.8,f=-2.2!) USER MOD Set 1.2: A 85 GLN : amide:sc= -0.532 K(o=-0.8,f=-0.22) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 68:sc= -2.51! USER MOD Single : A 15 ASN : amide:sc= -3.22! C(o=-3.2!,f=-9.3!) USER MOD Single : A 17 TYR OH : rot 152:sc= -6.77! USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.653 USER MOD Single : A 26 THR OG1 : rot 137:sc= -4.14! USER MOD Single : A 29 GLN : amide:sc= -8.9! C(o=-8.9!,f=-15!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 3:sc= -0.404! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.125 K(o=-0.13,f=-2.7!) USER MOD Single : A 43 LYS NZ :NH3+ 135:sc= -2.36! (180deg=-5.6!) USER MOD Single : A 44 ASN : amide:sc= -0.0212 K(o=-0.021,f=-4.1!) USER MOD Single : A 62 TYR OH : rot -19:sc= -0.664 USER MOD Single : A 63 ASN : amide:sc= -2.66 X(o=-2.7,f=-2.6!) USER MOD Single : A 64 LYS NZ :NH3+ -151:sc= -0.0456 (180deg=-0.383) USER MOD Single : A 69 GLN : amide:sc= -0.34 K(o=-0.34,f=-2.7!) USER MOD Single : A 73 SER OG : rot -41:sc= 0.137 USER MOD Single : A 76 ASN : amide:sc= -3.78! C(o=-3.8!,f=-9.7!) USER MOD Single : A 77 ASN : amide:sc= -3.83! C(o=-3.8!,f=-3.5!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -0.412 K(o=-0.41,f=-1.4) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 12 -9.283 0.341 -11.603 1.00 0.00 N ATOM 160 CA LYS A 12 -10.585 -0.366 -11.767 1.00 0.00 C ATOM 161 C LYS A 12 -10.999 -1.068 -10.468 1.00 0.00 C ATOM 162 O LYS A 12 -11.816 -1.966 -10.492 1.00 0.00 O ATOM 163 CB LYS A 12 -10.450 -1.409 -12.876 1.00 0.00 C ATOM 164 CG LYS A 12 -11.833 -1.746 -13.437 1.00 0.00 C ATOM 165 CD LYS A 12 -12.144 -0.823 -14.617 1.00 0.00 C ATOM 166 CE LYS A 12 -11.758 -1.519 -15.925 1.00 0.00 C ATOM 167 NZ LYS A 12 -12.975 -1.720 -16.761 1.00 0.00 N ATOM 0 HA LYS A 12 -11.348 0.369 -12.022 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.807 -1.029 -13.670 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.976 -2.310 -12.486 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.863 -2.787 -13.758 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.590 -1.630 -12.661 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.204 -0.571 -14.626 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.595 0.113 -14.515 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.027 -0.918 -16.467 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.287 -2.479 -15.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.712 -2.193 -17.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.658 -2.310 -16.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.406 -0.798 -16.974 1.00 0.00 H new ATOM 181 N ASP A 13 -10.465 -0.680 -9.333 1.00 0.00 N ATOM 182 CA ASP A 13 -10.870 -1.365 -8.073 1.00 0.00 C ATOM 183 C ASP A 13 -10.598 -0.470 -6.844 1.00 0.00 C ATOM 184 O ASP A 13 -11.322 0.473 -6.594 1.00 0.00 O ATOM 185 CB ASP A 13 -10.107 -2.682 -7.951 1.00 0.00 C ATOM 186 CG ASP A 13 -10.252 -3.491 -9.241 1.00 0.00 C ATOM 187 OD1 ASP A 13 -11.281 -4.125 -9.406 1.00 0.00 O ATOM 188 OD2 ASP A 13 -9.335 -3.459 -10.044 1.00 0.00 O ATOM 0 H ASP A 13 -9.779 0.068 -9.229 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.941 -1.565 -8.107 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.054 -2.485 -7.752 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.489 -3.256 -7.107 1.00 0.00 H new ATOM 193 N THR A 14 -9.579 -0.761 -6.061 1.00 0.00 N ATOM 194 CA THR A 14 -9.302 0.072 -4.849 1.00 0.00 C ATOM 195 C THR A 14 -7.842 -0.103 -4.401 1.00 0.00 C ATOM 196 O THR A 14 -7.520 -0.988 -3.633 1.00 0.00 O ATOM 197 CB THR A 14 -10.229 -0.369 -3.715 1.00 0.00 C ATOM 198 OG1 THR A 14 -11.120 -1.364 -4.196 1.00 0.00 O ATOM 199 CG2 THR A 14 -11.027 0.835 -3.208 1.00 0.00 C ATOM 0 H THR A 14 -8.933 -1.536 -6.211 1.00 0.00 H new ATOM 0 HA THR A 14 -9.475 1.120 -5.093 1.00 0.00 H new ATOM 0 HB THR A 14 -9.636 -0.777 -2.897 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.618 -2.179 -4.405 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.687 0.520 -2.400 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.341 1.597 -2.839 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.622 1.246 -4.023 1.00 0.00 H new ATOM 207 N ASN A 15 -6.963 0.745 -4.868 1.00 0.00 N ATOM 208 CA ASN A 15 -5.520 0.651 -4.472 1.00 0.00 C ATOM 209 C ASN A 15 -5.308 1.364 -3.130 1.00 0.00 C ATOM 210 O ASN A 15 -6.164 2.083 -2.668 1.00 0.00 O ATOM 211 CB ASN A 15 -4.664 1.337 -5.542 1.00 0.00 C ATOM 212 CG ASN A 15 -5.028 2.823 -5.609 1.00 0.00 C ATOM 213 OD1 ASN A 15 -6.125 3.209 -5.256 1.00 0.00 O ATOM 214 ND2 ASN A 15 -4.146 3.682 -6.042 1.00 0.00 N ATOM 0 H ASN A 15 -7.182 1.505 -5.512 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.235 -0.397 -4.378 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.606 1.221 -5.307 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.829 0.867 -6.512 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.378 4.674 -6.083 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.224 3.361 -6.339 1.00 0.00 H new ATOM 221 N LEU A 16 -4.168 1.200 -2.503 1.00 0.00 N ATOM 222 CA LEU A 16 -3.945 1.913 -1.206 1.00 0.00 C ATOM 223 C LEU A 16 -2.553 2.548 -1.178 1.00 0.00 C ATOM 224 O LEU A 16 -1.535 1.889 -1.318 1.00 0.00 O ATOM 225 CB LEU A 16 -4.142 0.973 0.005 1.00 0.00 C ATOM 226 CG LEU A 16 -3.106 -0.163 0.041 1.00 0.00 C ATOM 227 CD1 LEU A 16 -3.455 -1.111 1.191 1.00 0.00 C ATOM 228 CD2 LEU A 16 -3.160 -0.949 -1.264 1.00 0.00 C ATOM 0 H LEU A 16 -3.396 0.616 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.692 2.703 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.074 1.552 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.144 0.546 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.110 0.258 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.727 -1.922 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.435 -0.563 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.451 -1.524 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.425 -1.753 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.156 -1.373 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.938 -0.284 -2.099 1.00 0.00 H new ATOM 240 N TYR A 17 -2.513 3.841 -0.988 1.00 0.00 N ATOM 241 CA TYR A 17 -1.213 4.562 -0.939 1.00 0.00 C ATOM 242 C TYR A 17 -0.593 4.327 0.433 1.00 0.00 C ATOM 243 O TYR A 17 -1.268 4.377 1.440 1.00 0.00 O ATOM 244 CB TYR A 17 -1.466 6.058 -1.143 1.00 0.00 C ATOM 245 CG TYR A 17 -0.228 6.846 -0.788 1.00 0.00 C ATOM 246 CD1 TYR A 17 1.020 6.464 -1.294 1.00 0.00 C ATOM 247 CD2 TYR A 17 -0.333 7.968 0.044 1.00 0.00 C ATOM 248 CE1 TYR A 17 2.164 7.204 -0.967 1.00 0.00 C ATOM 249 CE2 TYR A 17 0.809 8.706 0.370 1.00 0.00 C ATOM 250 CZ TYR A 17 2.057 8.325 -0.134 1.00 0.00 C ATOM 251 OH TYR A 17 3.181 9.057 0.188 1.00 0.00 O ATOM 0 H TYR A 17 -3.336 4.431 -0.864 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.541 4.203 -1.719 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.744 6.250 -2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.303 6.381 -0.523 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.101 5.599 -1.936 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.296 8.263 0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.127 6.910 -1.357 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.727 9.571 1.012 1.00 0.00 H new ATOM 0 HH TYR A 17 2.926 9.986 0.366 1.00 0.00 H new ATOM 261 N VAL A 18 0.674 4.042 0.488 1.00 0.00 N ATOM 262 CA VAL A 18 1.291 3.776 1.809 1.00 0.00 C ATOM 263 C VAL A 18 2.354 4.826 2.139 1.00 0.00 C ATOM 264 O VAL A 18 3.023 5.350 1.270 1.00 0.00 O ATOM 265 CB VAL A 18 1.920 2.387 1.796 1.00 0.00 C ATOM 266 CG1 VAL A 18 0.941 1.386 1.180 1.00 0.00 C ATOM 267 CG2 VAL A 18 3.201 2.419 0.967 1.00 0.00 C ATOM 0 H VAL A 18 1.301 3.982 -0.314 1.00 0.00 H new ATOM 0 HA VAL A 18 0.517 3.827 2.575 1.00 0.00 H new ATOM 0 HB VAL A 18 2.152 2.085 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.392 0.394 1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.025 1.363 1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.707 1.687 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.652 1.427 0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.967 2.722 -0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.900 3.131 1.405 1.00 0.00 H new ATOM 277 N THR A 19 2.513 5.131 3.400 1.00 0.00 N ATOM 278 CA THR A 19 3.534 6.140 3.811 1.00 0.00 C ATOM 279 C THR A 19 4.369 5.577 4.965 1.00 0.00 C ATOM 280 O THR A 19 4.138 4.482 5.436 1.00 0.00 O ATOM 281 CB THR A 19 2.832 7.421 4.272 1.00 0.00 C ATOM 282 OG1 THR A 19 2.191 7.187 5.517 1.00 0.00 O ATOM 283 CG2 THR A 19 1.792 7.842 3.232 1.00 0.00 C ATOM 0 H THR A 19 1.977 4.723 4.166 1.00 0.00 H new ATOM 0 HA THR A 19 4.183 6.365 2.964 1.00 0.00 H new ATOM 0 HB THR A 19 3.569 8.216 4.386 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.743 8.007 5.813 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.295 8.754 3.563 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.285 8.024 2.277 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.054 7.049 3.114 1.00 0.00 H new ATOM 291 N ASN A 20 5.335 6.321 5.427 1.00 0.00 N ATOM 292 CA ASN A 20 6.182 5.835 6.555 1.00 0.00 C ATOM 293 C ASN A 20 6.836 4.499 6.189 1.00 0.00 C ATOM 294 O ASN A 20 6.285 3.442 6.420 1.00 0.00 O ATOM 295 CB ASN A 20 5.311 5.653 7.801 1.00 0.00 C ATOM 296 CG ASN A 20 6.086 6.117 9.036 1.00 0.00 C ATOM 297 OD1 ASN A 20 7.286 6.299 8.982 1.00 0.00 O ATOM 298 ND2 ASN A 20 5.446 6.318 10.156 1.00 0.00 N ATOM 0 H ASN A 20 5.576 7.246 5.072 1.00 0.00 H new ATOM 0 HA ASN A 20 6.964 6.568 6.755 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.389 6.226 7.700 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.026 4.607 7.909 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.953 6.628 10.985 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.439 6.165 10.202 1.00 0.00 H new ATOM 305 N LEU A 21 8.016 4.540 5.628 1.00 0.00 N ATOM 306 CA LEU A 21 8.717 3.276 5.255 1.00 0.00 C ATOM 307 C LEU A 21 9.905 3.063 6.200 1.00 0.00 C ATOM 308 O LEU A 21 10.197 3.908 7.021 1.00 0.00 O ATOM 309 CB LEU A 21 9.228 3.381 3.816 1.00 0.00 C ATOM 310 CG LEU A 21 8.077 3.133 2.842 1.00 0.00 C ATOM 311 CD1 LEU A 21 8.444 3.693 1.466 1.00 0.00 C ATOM 312 CD2 LEU A 21 7.825 1.629 2.728 1.00 0.00 C ATOM 0 H LEU A 21 8.526 5.397 5.412 1.00 0.00 H new ATOM 0 HA LEU A 21 8.026 2.437 5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.657 4.368 3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.023 2.654 3.648 1.00 0.00 H new ATOM 0 HG LEU A 21 7.177 3.628 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.623 3.516 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.627 4.764 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.343 3.198 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.004 1.449 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.725 1.136 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.566 1.228 3.708 1.00 0.00 H new ATOM 324 N PRO A 22 10.558 1.939 6.050 1.00 0.00 N ATOM 325 CA PRO A 22 11.720 1.684 6.932 1.00 0.00 C ATOM 326 C PRO A 22 13.014 1.644 6.137 1.00 0.00 C ATOM 327 O PRO A 22 14.071 1.338 6.649 1.00 0.00 O ATOM 328 CB PRO A 22 11.437 0.326 7.567 1.00 0.00 C ATOM 329 CG PRO A 22 10.450 -0.390 6.626 1.00 0.00 C ATOM 330 CD PRO A 22 9.779 0.705 5.778 1.00 0.00 C ATOM 0 HA PRO A 22 11.845 2.471 7.675 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.355 -0.250 7.680 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.010 0.443 8.563 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.971 -1.107 5.991 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.707 -0.949 7.196 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.801 0.451 4.718 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.732 0.831 6.054 1.00 0.00 H new ATOM 338 N ARG A 23 12.928 1.961 4.897 1.00 0.00 N ATOM 339 CA ARG A 23 14.133 1.959 4.030 1.00 0.00 C ATOM 340 C ARG A 23 13.702 1.962 2.559 1.00 0.00 C ATOM 341 O ARG A 23 13.393 2.994 1.996 1.00 0.00 O ATOM 342 CB ARG A 23 14.996 0.718 4.329 1.00 0.00 C ATOM 343 CG ARG A 23 14.110 -0.512 4.606 1.00 0.00 C ATOM 344 CD ARG A 23 14.628 -1.253 5.843 1.00 0.00 C ATOM 345 NE ARG A 23 16.104 -1.422 5.735 1.00 0.00 N ATOM 346 CZ ARG A 23 16.605 -2.155 4.778 1.00 0.00 C ATOM 347 NH1 ARG A 23 15.852 -3.028 4.165 1.00 0.00 N ATOM 348 NH2 ARG A 23 17.857 -2.021 4.437 1.00 0.00 N ATOM 0 H ARG A 23 12.062 2.228 4.428 1.00 0.00 H new ATOM 0 HA ARG A 23 14.726 2.851 4.232 1.00 0.00 H new ATOM 0 HB2 ARG A 23 15.654 0.515 3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 23 15.635 0.913 5.190 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.077 -0.201 4.763 1.00 0.00 H new ATOM 0 HG3 ARG A 23 14.115 -1.178 3.743 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.380 -0.695 6.746 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.144 -2.226 5.927 1.00 0.00 H new ATOM 0 HE ARG A 23 16.721 -0.966 6.407 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.874 -3.136 4.434 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.242 -3.602 3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 23 18.447 -1.342 4.918 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.246 -2.595 3.689 1.00 0.00 H new ATOM 362 N THR A 24 13.678 0.822 1.932 1.00 0.00 N ATOM 363 CA THR A 24 13.266 0.761 0.501 1.00 0.00 C ATOM 364 C THR A 24 12.902 -0.679 0.137 1.00 0.00 C ATOM 365 O THR A 24 11.913 -0.933 -0.524 1.00 0.00 O ATOM 366 CB THR A 24 14.423 1.232 -0.382 1.00 0.00 C ATOM 367 OG1 THR A 24 15.397 1.880 0.423 1.00 0.00 O ATOM 368 CG2 THR A 24 13.901 2.206 -1.440 1.00 0.00 C ATOM 0 H THR A 24 13.927 -0.075 2.349 1.00 0.00 H new ATOM 0 HA THR A 24 12.401 1.406 0.343 1.00 0.00 H new ATOM 0 HB THR A 24 14.874 0.372 -0.878 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.140 2.181 -0.141 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.728 2.539 -2.067 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.155 1.706 -2.058 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.447 3.067 -0.949 1.00 0.00 H new ATOM 376 N ILE A 25 13.702 -1.624 0.551 1.00 0.00 N ATOM 377 CA ILE A 25 13.413 -3.047 0.216 1.00 0.00 C ATOM 378 C ILE A 25 13.101 -3.151 -1.276 1.00 0.00 C ATOM 379 O ILE A 25 13.206 -2.187 -2.008 1.00 0.00 O ATOM 380 CB ILE A 25 12.209 -3.538 1.023 1.00 0.00 C ATOM 381 CG1 ILE A 25 12.147 -2.795 2.359 1.00 0.00 C ATOM 382 CG2 ILE A 25 12.353 -5.038 1.284 1.00 0.00 C ATOM 383 CD1 ILE A 25 11.110 -3.463 3.264 1.00 0.00 C ATOM 0 H ILE A 25 14.543 -1.472 1.107 1.00 0.00 H new ATOM 0 HA ILE A 25 14.279 -3.662 0.460 1.00 0.00 H new ATOM 0 HB ILE A 25 11.295 -3.348 0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.125 -2.805 2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.883 -1.750 2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.497 -5.391 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.396 -5.570 0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.268 -5.223 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.064 -2.935 4.216 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.132 -3.430 2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.394 -4.501 3.438 1.00 0.00 H new ATOM 395 N THR A 26 12.718 -4.307 -1.736 1.00 0.00 N ATOM 396 CA THR A 26 12.402 -4.455 -3.184 1.00 0.00 C ATOM 397 C THR A 26 10.884 -4.409 -3.379 1.00 0.00 C ATOM 398 O THR A 26 10.125 -4.900 -2.564 1.00 0.00 O ATOM 399 CB THR A 26 12.947 -5.790 -3.702 1.00 0.00 C ATOM 400 OG1 THR A 26 11.954 -6.795 -3.559 1.00 0.00 O ATOM 401 CG2 THR A 26 14.194 -6.182 -2.907 1.00 0.00 C ATOM 0 H THR A 26 12.610 -5.153 -1.176 1.00 0.00 H new ATOM 0 HA THR A 26 12.867 -3.641 -3.740 1.00 0.00 H new ATOM 0 HB THR A 26 13.211 -5.688 -4.755 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.931 -7.350 -4.367 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.579 -7.132 -3.278 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.956 -5.412 -3.023 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.937 -6.282 -1.853 1.00 0.00 H new ATOM 409 N ASP A 27 10.437 -3.820 -4.454 1.00 0.00 N ATOM 410 CA ASP A 27 8.972 -3.740 -4.705 1.00 0.00 C ATOM 411 C ASP A 27 8.385 -5.152 -4.734 1.00 0.00 C ATOM 412 O ASP A 27 7.551 -5.505 -3.927 1.00 0.00 O ATOM 413 CB ASP A 27 8.722 -3.053 -6.050 1.00 0.00 C ATOM 414 CG ASP A 27 9.659 -1.852 -6.191 1.00 0.00 C ATOM 415 OD1 ASP A 27 10.193 -1.421 -5.184 1.00 0.00 O ATOM 416 OD2 ASP A 27 9.823 -1.383 -7.306 1.00 0.00 O ATOM 0 H ASP A 27 11.024 -3.391 -5.169 1.00 0.00 H new ATOM 0 HA ASP A 27 8.496 -3.165 -3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.889 -3.756 -6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.684 -2.728 -6.117 1.00 0.00 H new ATOM 421 N ASP A 28 8.817 -5.965 -5.659 1.00 0.00 N ATOM 422 CA ASP A 28 8.284 -7.355 -5.745 1.00 0.00 C ATOM 423 C ASP A 28 8.368 -8.043 -4.377 1.00 0.00 C ATOM 424 O ASP A 28 7.712 -9.037 -4.140 1.00 0.00 O ATOM 425 CB ASP A 28 9.104 -8.153 -6.761 1.00 0.00 C ATOM 426 CG ASP A 28 10.595 -7.917 -6.513 1.00 0.00 C ATOM 427 OD1 ASP A 28 11.130 -6.983 -7.086 1.00 0.00 O ATOM 428 OD2 ASP A 28 11.178 -8.677 -5.756 1.00 0.00 O ATOM 0 H ASP A 28 9.518 -5.726 -6.361 1.00 0.00 H new ATOM 0 HA ASP A 28 7.241 -7.313 -6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.874 -9.215 -6.676 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.841 -7.850 -7.775 1.00 0.00 H new ATOM 433 N GLN A 29 9.173 -7.539 -3.481 1.00 0.00 N ATOM 434 CA GLN A 29 9.287 -8.195 -2.146 1.00 0.00 C ATOM 435 C GLN A 29 8.053 -7.890 -1.296 1.00 0.00 C ATOM 436 O GLN A 29 7.336 -8.786 -0.903 1.00 0.00 O ATOM 437 CB GLN A 29 10.543 -7.698 -1.426 1.00 0.00 C ATOM 438 CG GLN A 29 11.683 -8.697 -1.647 1.00 0.00 C ATOM 439 CD GLN A 29 12.960 -8.173 -0.988 1.00 0.00 C ATOM 440 OE1 GLN A 29 12.943 -7.159 -0.319 1.00 0.00 O ATOM 441 NE2 GLN A 29 14.079 -8.829 -1.150 1.00 0.00 N ATOM 0 H GLN A 29 9.752 -6.709 -3.613 1.00 0.00 H new ATOM 0 HA GLN A 29 9.357 -9.273 -2.293 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.827 -6.715 -1.803 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.344 -7.585 -0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.417 -9.667 -1.227 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.847 -8.846 -2.714 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.094 -9.680 -1.711 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.937 -8.489 -0.715 1.00 0.00 H new ATOM 450 N LEU A 30 7.800 -6.643 -0.997 1.00 0.00 N ATOM 451 CA LEU A 30 6.607 -6.320 -0.157 1.00 0.00 C ATOM 452 C LEU A 30 5.398 -7.123 -0.646 1.00 0.00 C ATOM 453 O LEU A 30 4.482 -7.400 0.102 1.00 0.00 O ATOM 454 CB LEU A 30 6.300 -4.822 -0.235 1.00 0.00 C ATOM 455 CG LEU A 30 6.302 -4.231 1.178 1.00 0.00 C ATOM 456 CD1 LEU A 30 7.579 -4.654 1.909 1.00 0.00 C ATOM 457 CD2 LEU A 30 6.249 -2.704 1.089 1.00 0.00 C ATOM 0 H LEU A 30 8.359 -5.843 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 30 6.820 -6.584 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.043 -4.318 -0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.331 -4.662 -0.707 1.00 0.00 H new ATOM 0 HG LEU A 30 5.433 -4.596 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.579 -4.233 2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.619 -5.741 1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.449 -4.289 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.250 -2.281 2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.119 -2.341 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.340 -2.401 0.569 1.00 0.00 H new ATOM 469 N ASP A 31 5.390 -7.513 -1.890 1.00 0.00 N ATOM 470 CA ASP A 31 4.243 -8.311 -2.410 1.00 0.00 C ATOM 471 C ASP A 31 4.204 -9.656 -1.680 1.00 0.00 C ATOM 472 O ASP A 31 3.200 -10.040 -1.098 1.00 0.00 O ATOM 473 CB ASP A 31 4.430 -8.552 -3.910 1.00 0.00 C ATOM 474 CG ASP A 31 3.425 -7.709 -4.696 1.00 0.00 C ATOM 475 OD1 ASP A 31 2.632 -7.027 -4.067 1.00 0.00 O ATOM 476 OD2 ASP A 31 3.465 -7.759 -5.914 1.00 0.00 O ATOM 0 H ASP A 31 6.126 -7.315 -2.568 1.00 0.00 H new ATOM 0 HA ASP A 31 3.310 -7.772 -2.244 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.447 -8.293 -4.206 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.291 -9.609 -4.139 1.00 0.00 H new ATOM 481 N THR A 32 5.295 -10.374 -1.701 1.00 0.00 N ATOM 482 CA THR A 32 5.341 -11.689 -1.007 1.00 0.00 C ATOM 483 C THR A 32 5.122 -11.472 0.490 1.00 0.00 C ATOM 484 O THR A 32 4.497 -12.270 1.158 1.00 0.00 O ATOM 485 CB THR A 32 6.708 -12.337 -1.235 1.00 0.00 C ATOM 486 OG1 THR A 32 7.006 -12.336 -2.625 1.00 0.00 O ATOM 487 CG2 THR A 32 6.687 -13.775 -0.716 1.00 0.00 C ATOM 0 H THR A 32 6.159 -10.103 -2.171 1.00 0.00 H new ATOM 0 HA THR A 32 4.562 -12.341 -1.401 1.00 0.00 H new ATOM 0 HB THR A 32 7.471 -11.772 -0.700 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.882 -12.749 -2.772 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.662 -14.235 -0.879 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.460 -13.774 0.350 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.924 -14.343 -1.248 1.00 0.00 H new ATOM 495 N ILE A 33 5.630 -10.392 1.022 1.00 0.00 N ATOM 496 CA ILE A 33 5.445 -10.124 2.475 1.00 0.00 C ATOM 497 C ILE A 33 3.947 -9.997 2.763 1.00 0.00 C ATOM 498 O ILE A 33 3.484 -10.279 3.851 1.00 0.00 O ATOM 499 CB ILE A 33 6.200 -8.835 2.863 1.00 0.00 C ATOM 500 CG1 ILE A 33 6.749 -8.987 4.283 1.00 0.00 C ATOM 501 CG2 ILE A 33 5.275 -7.611 2.807 1.00 0.00 C ATOM 502 CD1 ILE A 33 7.724 -7.846 4.578 1.00 0.00 C ATOM 0 H ILE A 33 6.163 -9.687 0.514 1.00 0.00 H new ATOM 0 HA ILE A 33 5.850 -10.943 3.070 1.00 0.00 H new ATOM 0 HB ILE A 33 7.013 -8.683 2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.931 -8.976 5.004 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.254 -9.947 4.388 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.835 -6.718 3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.886 -7.495 1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.446 -7.750 3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.115 -7.954 5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.548 -7.878 3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.205 -6.892 4.490 1.00 0.00 H new ATOM 514 N PHE A 34 3.186 -9.583 1.785 1.00 0.00 N ATOM 515 CA PHE A 34 1.719 -9.450 1.993 1.00 0.00 C ATOM 516 C PHE A 34 1.100 -10.845 2.051 1.00 0.00 C ATOM 517 O PHE A 34 0.655 -11.293 3.090 1.00 0.00 O ATOM 518 CB PHE A 34 1.102 -8.672 0.829 1.00 0.00 C ATOM 519 CG PHE A 34 1.837 -7.368 0.645 1.00 0.00 C ATOM 520 CD1 PHE A 34 2.419 -6.728 1.746 1.00 0.00 C ATOM 521 CD2 PHE A 34 1.933 -6.796 -0.628 1.00 0.00 C ATOM 522 CE1 PHE A 34 3.101 -5.518 1.572 1.00 0.00 C ATOM 523 CE2 PHE A 34 2.615 -5.586 -0.802 1.00 0.00 C ATOM 524 CZ PHE A 34 3.199 -4.947 0.297 1.00 0.00 C ATOM 0 H PHE A 34 3.518 -9.332 0.854 1.00 0.00 H new ATOM 0 HA PHE A 34 1.527 -8.917 2.924 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.155 -9.263 -0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.047 -8.482 1.025 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.342 -7.168 2.729 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.481 -7.288 -1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.551 -5.025 2.421 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.690 -5.146 -1.785 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.725 -4.014 0.162 1.00 0.00 H new ATOM 534 N GLY A 35 1.071 -11.539 0.947 1.00 0.00 N ATOM 535 CA GLY A 35 0.481 -12.907 0.950 1.00 0.00 C ATOM 536 C GLY A 35 0.005 -13.268 -0.456 1.00 0.00 C ATOM 537 O GLY A 35 0.750 -13.793 -1.256 1.00 0.00 O ATOM 0 H GLY A 35 1.429 -11.220 0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.221 -13.631 1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.354 -12.951 1.649 1.00 0.00 H new ATOM 541 N LYS A 36 -1.233 -12.992 -0.763 1.00 0.00 N ATOM 542 CA LYS A 36 -1.757 -13.326 -2.118 1.00 0.00 C ATOM 543 C LYS A 36 -3.281 -13.154 -2.143 1.00 0.00 C ATOM 544 O LYS A 36 -4.002 -14.032 -2.575 1.00 0.00 O ATOM 545 CB LYS A 36 -1.408 -14.782 -2.454 1.00 0.00 C ATOM 546 CG LYS A 36 -0.206 -14.822 -3.401 1.00 0.00 C ATOM 547 CD LYS A 36 0.767 -15.913 -2.945 1.00 0.00 C ATOM 548 CE LYS A 36 1.556 -16.433 -4.148 1.00 0.00 C ATOM 549 NZ LYS A 36 2.981 -16.639 -3.757 1.00 0.00 N ATOM 0 H LYS A 36 -1.904 -12.550 -0.135 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.305 -12.659 -2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.181 -15.331 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.264 -15.273 -2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.539 -15.019 -4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.295 -13.854 -3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.450 -15.515 -2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.219 -16.730 -2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.126 -17.370 -4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.493 -15.723 -4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.518 -16.993 -4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.388 -15.736 -3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.032 -17.332 -2.983 1.00 0.00 H new ATOM 563 N TYR A 37 -3.781 -12.034 -1.689 1.00 0.00 N ATOM 564 CA TYR A 37 -5.263 -11.826 -1.699 1.00 0.00 C ATOM 565 C TYR A 37 -5.660 -11.093 -2.988 1.00 0.00 C ATOM 566 O TYR A 37 -5.993 -11.710 -3.981 1.00 0.00 O ATOM 567 CB TYR A 37 -5.715 -11.013 -0.469 1.00 0.00 C ATOM 568 CG TYR A 37 -4.551 -10.773 0.468 1.00 0.00 C ATOM 569 CD1 TYR A 37 -3.814 -11.855 0.964 1.00 0.00 C ATOM 570 CD2 TYR A 37 -4.211 -9.467 0.841 1.00 0.00 C ATOM 571 CE1 TYR A 37 -2.738 -11.632 1.829 1.00 0.00 C ATOM 572 CE2 TYR A 37 -3.134 -9.244 1.707 1.00 0.00 C ATOM 573 CZ TYR A 37 -2.397 -10.325 2.201 1.00 0.00 C ATOM 574 OH TYR A 37 -1.337 -10.104 3.053 1.00 0.00 O ATOM 0 H TYR A 37 -3.234 -11.259 -1.314 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.755 -12.798 -1.659 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.133 -10.059 -0.790 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.507 -11.547 0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.077 -12.863 0.678 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.780 -8.631 0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.170 -12.468 2.210 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.872 -8.236 1.994 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.905 -10.957 3.265 1.00 0.00 H new ATOM 584 N GLY A 38 -5.613 -9.786 -2.991 1.00 0.00 N ATOM 585 CA GLY A 38 -5.973 -9.030 -4.228 1.00 0.00 C ATOM 586 C GLY A 38 -4.837 -9.175 -5.231 1.00 0.00 C ATOM 587 O GLY A 38 -3.710 -9.438 -4.865 1.00 0.00 O ATOM 0 H GLY A 38 -5.342 -9.211 -2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.902 -9.414 -4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.140 -7.979 -3.994 1.00 0.00 H new ATOM 591 N SER A 39 -5.110 -8.996 -6.489 1.00 0.00 N ATOM 592 CA SER A 39 -4.024 -9.112 -7.495 1.00 0.00 C ATOM 593 C SER A 39 -3.230 -7.812 -7.479 1.00 0.00 C ATOM 594 O SER A 39 -3.435 -6.947 -8.307 1.00 0.00 O ATOM 595 CB SER A 39 -4.624 -9.328 -8.884 1.00 0.00 C ATOM 596 OG SER A 39 -3.579 -9.560 -9.818 1.00 0.00 O ATOM 0 H SER A 39 -6.033 -8.776 -6.863 1.00 0.00 H new ATOM 0 HA SER A 39 -3.379 -9.958 -7.259 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.308 -10.176 -8.869 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.205 -8.455 -9.181 1.00 0.00 H new ATOM 0 HG SER A 39 -3.962 -9.700 -10.709 1.00 0.00 H new ATOM 602 N ILE A 40 -2.347 -7.658 -6.520 1.00 0.00 N ATOM 603 CA ILE A 40 -1.550 -6.397 -6.418 1.00 0.00 C ATOM 604 C ILE A 40 -1.249 -5.868 -7.817 1.00 0.00 C ATOM 605 O ILE A 40 -0.573 -6.499 -8.606 1.00 0.00 O ATOM 606 CB ILE A 40 -0.231 -6.625 -5.658 1.00 0.00 C ATOM 607 CG1 ILE A 40 0.008 -8.125 -5.404 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.288 -5.868 -4.329 1.00 0.00 C ATOM 609 CD1 ILE A 40 -0.706 -8.576 -4.122 1.00 0.00 C ATOM 0 H ILE A 40 -2.145 -8.354 -5.803 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.139 -5.668 -5.862 1.00 0.00 H new ATOM 0 HB ILE A 40 0.597 -6.254 -6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.355 -8.705 -6.252 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.077 -8.319 -5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.642 -6.023 -3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.423 -4.804 -4.522 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.124 -6.238 -3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.525 -9.639 -3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.323 -8.009 -3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.777 -8.401 -4.221 1.00 0.00 H new ATOM 621 N VAL A 41 -1.769 -4.715 -8.130 1.00 0.00 N ATOM 622 CA VAL A 41 -1.547 -4.124 -9.476 1.00 0.00 C ATOM 623 C VAL A 41 -0.179 -3.423 -9.527 1.00 0.00 C ATOM 624 O VAL A 41 -0.035 -2.384 -10.139 1.00 0.00 O ATOM 625 CB VAL A 41 -2.667 -3.123 -9.772 1.00 0.00 C ATOM 626 CG1 VAL A 41 -3.958 -3.880 -10.090 1.00 0.00 C ATOM 627 CG2 VAL A 41 -2.903 -2.252 -8.547 1.00 0.00 C ATOM 0 H VAL A 41 -2.344 -4.152 -7.503 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.557 -4.913 -10.228 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.380 -2.504 -10.622 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.755 -3.167 -10.301 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.801 -4.517 -10.961 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.238 -4.496 -9.236 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.700 -1.539 -8.756 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.190 -2.880 -7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.988 -1.712 -8.303 1.00 0.00 H new ATOM 637 N GLN A 42 0.821 -4.006 -8.896 1.00 0.00 N ATOM 638 CA GLN A 42 2.202 -3.427 -8.900 1.00 0.00 C ATOM 639 C GLN A 42 2.413 -2.500 -7.699 1.00 0.00 C ATOM 640 O GLN A 42 1.949 -1.377 -7.672 1.00 0.00 O ATOM 641 CB GLN A 42 2.454 -2.661 -10.202 1.00 0.00 C ATOM 642 CG GLN A 42 3.896 -2.896 -10.657 1.00 0.00 C ATOM 643 CD GLN A 42 4.340 -1.747 -11.563 1.00 0.00 C ATOM 644 OE1 GLN A 42 3.628 -0.775 -11.723 1.00 0.00 O ATOM 645 NE2 GLN A 42 5.495 -1.817 -12.165 1.00 0.00 N ATOM 0 H GLN A 42 0.731 -4.875 -8.370 1.00 0.00 H new ATOM 0 HA GLN A 42 2.912 -4.251 -8.827 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.759 -2.993 -10.973 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.277 -1.596 -10.051 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.555 -2.966 -9.791 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.970 -3.843 -11.191 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.092 -2.633 -12.030 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.801 -1.056 -12.771 1.00 0.00 H new ATOM 654 N LYS A 43 3.143 -2.965 -6.716 1.00 0.00 N ATOM 655 CA LYS A 43 3.433 -2.126 -5.515 1.00 0.00 C ATOM 656 C LYS A 43 4.840 -1.543 -5.673 1.00 0.00 C ATOM 657 O LYS A 43 5.684 -2.129 -6.323 1.00 0.00 O ATOM 658 CB LYS A 43 3.376 -2.996 -4.253 1.00 0.00 C ATOM 659 CG LYS A 43 4.194 -4.274 -4.468 1.00 0.00 C ATOM 660 CD LYS A 43 5.088 -4.530 -3.249 1.00 0.00 C ATOM 661 CE LYS A 43 6.162 -3.441 -3.165 1.00 0.00 C ATOM 662 NZ LYS A 43 5.670 -2.316 -2.319 1.00 0.00 N ATOM 0 H LYS A 43 3.554 -3.898 -6.695 1.00 0.00 H new ATOM 0 HA LYS A 43 2.698 -1.326 -5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.767 -2.442 -3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.342 -3.250 -4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.527 -5.121 -4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.805 -4.179 -5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.488 -4.535 -2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.556 -5.511 -3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.079 -3.852 -2.743 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.405 -3.079 -4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.420 -2.024 -1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.410 -1.513 -2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.837 -2.626 -1.780 1.00 0.00 H new ATOM 676 N ASN A 44 5.113 -0.397 -5.108 1.00 0.00 N ATOM 677 CA ASN A 44 6.481 0.184 -5.273 1.00 0.00 C ATOM 678 C ASN A 44 6.911 0.940 -4.014 1.00 0.00 C ATOM 679 O ASN A 44 6.158 1.090 -3.071 1.00 0.00 O ATOM 680 CB ASN A 44 6.482 1.144 -6.464 1.00 0.00 C ATOM 681 CG ASN A 44 7.694 0.853 -7.349 1.00 0.00 C ATOM 682 OD1 ASN A 44 8.821 1.069 -6.948 1.00 0.00 O ATOM 683 ND2 ASN A 44 7.510 0.367 -8.547 1.00 0.00 N ATOM 0 H ASN A 44 4.463 0.155 -4.549 1.00 0.00 H new ATOM 0 HA ASN A 44 7.185 -0.631 -5.445 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.563 1.030 -7.038 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.513 2.176 -6.114 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.312 0.169 -9.146 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.565 0.186 -8.884 1.00 0.00 H new ATOM 690 N ILE A 45 8.129 1.421 -4.004 1.00 0.00 N ATOM 691 CA ILE A 45 8.643 2.178 -2.824 1.00 0.00 C ATOM 692 C ILE A 45 9.544 3.317 -3.322 1.00 0.00 C ATOM 693 O ILE A 45 10.380 3.124 -4.182 1.00 0.00 O ATOM 694 CB ILE A 45 9.457 1.237 -1.925 1.00 0.00 C ATOM 695 CG1 ILE A 45 8.513 0.298 -1.167 1.00 0.00 C ATOM 696 CG2 ILE A 45 10.261 2.061 -0.919 1.00 0.00 C ATOM 697 CD1 ILE A 45 9.329 -0.713 -0.357 1.00 0.00 C ATOM 0 H ILE A 45 8.794 1.320 -4.770 1.00 0.00 H new ATOM 0 HA ILE A 45 7.809 2.586 -2.253 1.00 0.00 H new ATOM 0 HB ILE A 45 10.134 0.649 -2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.868 0.874 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.863 -0.224 -1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.839 1.393 -0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.938 2.728 -1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.580 2.651 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.654 -1.379 0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.955 -1.298 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.960 -0.183 0.357 1.00 0.00 H new ATOM 709 N LEU A 46 9.383 4.502 -2.794 1.00 0.00 N ATOM 710 CA LEU A 46 10.234 5.639 -3.252 1.00 0.00 C ATOM 711 C LEU A 46 10.411 6.649 -2.114 1.00 0.00 C ATOM 712 O LEU A 46 9.561 6.786 -1.256 1.00 0.00 O ATOM 713 CB LEU A 46 9.562 6.328 -4.444 1.00 0.00 C ATOM 714 CG LEU A 46 8.356 7.132 -3.956 1.00 0.00 C ATOM 715 CD1 LEU A 46 8.666 8.627 -4.053 1.00 0.00 C ATOM 716 CD2 LEU A 46 7.139 6.807 -4.826 1.00 0.00 C ATOM 0 H LEU A 46 8.703 4.731 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 46 11.211 5.259 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.272 6.986 -4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.245 5.585 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 46 8.142 6.871 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.807 9.200 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.532 8.860 -3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.881 8.888 -5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.280 7.380 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.353 7.067 -5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.917 5.742 -4.758 1.00 0.00 H new ATOM 728 N ARG A 47 11.509 7.360 -2.100 1.00 0.00 N ATOM 729 CA ARG A 47 11.735 8.360 -1.017 1.00 0.00 C ATOM 730 C ARG A 47 12.438 9.600 -1.581 1.00 0.00 C ATOM 731 O ARG A 47 12.190 10.710 -1.155 1.00 0.00 O ATOM 732 CB ARG A 47 12.604 7.742 0.081 1.00 0.00 C ATOM 733 CG ARG A 47 13.982 7.390 -0.486 1.00 0.00 C ATOM 734 CD ARG A 47 14.981 8.492 -0.125 1.00 0.00 C ATOM 735 NE ARG A 47 15.280 8.429 1.333 1.00 0.00 N ATOM 736 CZ ARG A 47 14.982 9.435 2.107 1.00 0.00 C ATOM 737 NH1 ARG A 47 15.768 10.477 2.157 1.00 0.00 N ATOM 738 NH2 ARG A 47 13.897 9.402 2.832 1.00 0.00 N ATOM 0 H ARG A 47 12.257 7.291 -2.790 1.00 0.00 H new ATOM 0 HA ARG A 47 10.771 8.653 -0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.710 8.441 0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.124 6.847 0.477 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.318 6.434 -0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.924 7.278 -1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.898 8.370 -0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.571 9.469 -0.382 1.00 0.00 H new ATOM 0 HE ARG A 47 15.719 7.597 1.727 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.616 10.504 1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.534 11.264 2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.282 8.589 2.793 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.664 10.189 3.437 1.00 0.00 H new ATOM 888 N GLY A 56 9.986 9.232 2.231 1.00 0.00 N ATOM 889 CA GLY A 56 9.959 7.742 2.279 1.00 0.00 C ATOM 890 C GLY A 56 8.512 7.251 2.216 1.00 0.00 C ATOM 891 O GLY A 56 7.951 6.817 3.201 1.00 0.00 O ATOM 0 HA2 GLY A 56 10.529 7.331 1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.433 7.389 3.195 1.00 0.00 H new ATOM 895 N VAL A 57 7.904 7.310 1.062 1.00 0.00 N ATOM 896 CA VAL A 57 6.494 6.841 0.939 1.00 0.00 C ATOM 897 C VAL A 57 6.395 5.811 -0.187 1.00 0.00 C ATOM 898 O VAL A 57 7.018 5.947 -1.222 1.00 0.00 O ATOM 899 CB VAL A 57 5.579 8.028 0.623 1.00 0.00 C ATOM 900 CG1 VAL A 57 5.053 8.630 1.928 1.00 0.00 C ATOM 901 CG2 VAL A 57 6.361 9.095 -0.151 1.00 0.00 C ATOM 0 H VAL A 57 8.322 7.662 0.201 1.00 0.00 H new ATOM 0 HA VAL A 57 6.184 6.386 1.880 1.00 0.00 H new ATOM 0 HB VAL A 57 4.742 7.683 0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.402 9.475 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.490 7.874 2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.891 8.970 2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.705 9.937 -0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.202 9.439 0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.733 8.669 -1.083 1.00 0.00 H new ATOM 911 N ALA A 58 5.612 4.783 0.000 1.00 0.00 N ATOM 912 CA ALA A 58 5.475 3.752 -1.068 1.00 0.00 C ATOM 913 C ALA A 58 4.052 3.775 -1.618 1.00 0.00 C ATOM 914 O ALA A 58 3.249 4.616 -1.261 1.00 0.00 O ATOM 915 CB ALA A 58 5.773 2.364 -0.497 1.00 0.00 C ATOM 0 H ALA A 58 5.063 4.613 0.843 1.00 0.00 H new ATOM 0 HA ALA A 58 6.183 3.972 -1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.670 1.617 -1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.790 2.342 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.071 2.143 0.307 1.00 0.00 H new ATOM 921 N PHE A 59 3.730 2.857 -2.483 1.00 0.00 N ATOM 922 CA PHE A 59 2.358 2.834 -3.052 1.00 0.00 C ATOM 923 C PHE A 59 1.897 1.392 -3.249 1.00 0.00 C ATOM 924 O PHE A 59 2.209 0.766 -4.244 1.00 0.00 O ATOM 925 CB PHE A 59 2.354 3.541 -4.409 1.00 0.00 C ATOM 926 CG PHE A 59 2.168 5.026 -4.212 1.00 0.00 C ATOM 927 CD1 PHE A 59 3.278 5.844 -3.981 1.00 0.00 C ATOM 928 CD2 PHE A 59 0.884 5.584 -4.265 1.00 0.00 C ATOM 929 CE1 PHE A 59 3.108 7.222 -3.803 1.00 0.00 C ATOM 930 CE2 PHE A 59 0.713 6.962 -4.086 1.00 0.00 C ATOM 931 CZ PHE A 59 1.825 7.781 -3.856 1.00 0.00 C ATOM 0 H PHE A 59 4.355 2.125 -2.819 1.00 0.00 H new ATOM 0 HA PHE A 59 1.684 3.343 -2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.291 3.349 -4.932 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.553 3.145 -5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.267 5.412 -3.940 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.027 4.952 -4.444 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.966 7.854 -3.625 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.276 7.393 -4.125 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.693 8.844 -3.719 1.00 0.00 H new ATOM 941 N VAL A 60 1.116 0.870 -2.342 1.00 0.00 N ATOM 942 CA VAL A 60 0.598 -0.508 -2.536 1.00 0.00 C ATOM 943 C VAL A 60 -0.656 -0.340 -3.377 1.00 0.00 C ATOM 944 O VAL A 60 -1.317 0.675 -3.289 1.00 0.00 O ATOM 945 CB VAL A 60 0.252 -1.146 -1.178 1.00 0.00 C ATOM 946 CG1 VAL A 60 -0.682 -2.349 -1.376 1.00 0.00 C ATOM 947 CG2 VAL A 60 1.533 -1.628 -0.493 1.00 0.00 C ATOM 0 H VAL A 60 0.818 1.335 -1.484 1.00 0.00 H new ATOM 0 HA VAL A 60 1.329 -1.159 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.245 -0.397 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.918 -2.790 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.602 -2.020 -1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.190 -3.093 -2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.284 -2.079 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.027 -2.367 -1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.201 -0.782 -0.334 1.00 0.00 H new ATOM 957 N ARG A 61 -1.004 -1.269 -4.208 1.00 0.00 N ATOM 958 CA ARG A 61 -2.220 -1.032 -5.020 1.00 0.00 C ATOM 959 C ARG A 61 -3.088 -2.282 -5.100 1.00 0.00 C ATOM 960 O ARG A 61 -3.105 -2.975 -6.090 1.00 0.00 O ATOM 961 CB ARG A 61 -1.809 -0.587 -6.421 1.00 0.00 C ATOM 962 CG ARG A 61 -1.165 0.797 -6.348 1.00 0.00 C ATOM 963 CD ARG A 61 -0.276 1.011 -7.574 1.00 0.00 C ATOM 964 NE ARG A 61 0.909 1.828 -7.191 1.00 0.00 N ATOM 965 CZ ARG A 61 1.423 2.672 -8.042 1.00 0.00 C ATOM 966 NH1 ARG A 61 1.943 2.239 -9.158 1.00 0.00 N ATOM 967 NH2 ARG A 61 1.413 3.950 -7.779 1.00 0.00 N ATOM 0 H ARG A 61 -0.520 -2.154 -4.360 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.810 -0.251 -4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.109 -1.303 -6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.680 -0.560 -7.076 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.936 1.567 -6.306 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.574 0.887 -5.437 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.046 0.050 -7.975 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.838 1.513 -8.361 1.00 0.00 H new ATOM 0 HE ARG A 61 1.319 1.727 -6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.947 1.240 -9.365 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.345 2.899 -9.823 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.003 4.288 -6.908 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.815 4.611 -8.444 1.00 0.00 H new ATOM 981 N TYR A 62 -3.847 -2.555 -4.079 1.00 0.00 N ATOM 982 CA TYR A 62 -4.743 -3.735 -4.136 1.00 0.00 C ATOM 983 C TYR A 62 -5.954 -3.332 -4.965 1.00 0.00 C ATOM 984 O TYR A 62 -6.212 -2.159 -5.147 1.00 0.00 O ATOM 985 CB TYR A 62 -5.181 -4.125 -2.725 1.00 0.00 C ATOM 986 CG TYR A 62 -4.130 -5.015 -2.116 1.00 0.00 C ATOM 987 CD1 TYR A 62 -2.852 -4.508 -1.863 1.00 0.00 C ATOM 988 CD2 TYR A 62 -4.431 -6.343 -1.809 1.00 0.00 C ATOM 989 CE1 TYR A 62 -1.871 -5.330 -1.301 1.00 0.00 C ATOM 990 CE2 TYR A 62 -3.452 -7.168 -1.247 1.00 0.00 C ATOM 991 CZ TYR A 62 -2.170 -6.664 -0.991 1.00 0.00 C ATOM 992 OH TYR A 62 -1.205 -7.478 -0.437 1.00 0.00 O ATOM 0 H TYR A 62 -3.885 -2.016 -3.214 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.235 -4.591 -4.579 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.320 -3.233 -2.114 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.140 -4.642 -2.757 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.622 -3.480 -2.102 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -5.419 -6.733 -2.005 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.884 -4.938 -1.106 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.684 -8.196 -1.010 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.319 -7.093 -0.602 1.00 0.00 H new ATOM 1002 N ASN A 63 -6.692 -4.259 -5.496 1.00 0.00 N ATOM 1003 CA ASN A 63 -7.853 -3.837 -6.321 1.00 0.00 C ATOM 1004 C ASN A 63 -9.166 -4.005 -5.552 1.00 0.00 C ATOM 1005 O ASN A 63 -9.617 -3.102 -4.877 1.00 0.00 O ATOM 1006 CB ASN A 63 -7.947 -4.649 -7.608 1.00 0.00 C ATOM 1007 CG ASN A 63 -7.131 -5.937 -7.488 1.00 0.00 C ATOM 1008 OD1 ASN A 63 -7.684 -7.018 -7.429 1.00 0.00 O ATOM 1009 ND2 ASN A 63 -5.829 -5.868 -7.449 1.00 0.00 N ATOM 0 H ASN A 63 -6.550 -5.264 -5.400 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.697 -2.786 -6.563 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.989 -4.890 -7.818 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.581 -4.056 -8.447 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.275 -6.721 -7.369 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.365 -4.961 -7.499 1.00 0.00 H new ATOM 1016 N LYS A 64 -9.796 -5.153 -5.703 1.00 0.00 N ATOM 1017 CA LYS A 64 -11.111 -5.426 -5.044 1.00 0.00 C ATOM 1018 C LYS A 64 -11.283 -4.582 -3.788 1.00 0.00 C ATOM 1019 O LYS A 64 -10.377 -4.443 -3.000 1.00 0.00 O ATOM 1020 CB LYS A 64 -11.191 -6.905 -4.672 1.00 0.00 C ATOM 1021 CG LYS A 64 -12.036 -7.646 -5.710 1.00 0.00 C ATOM 1022 CD LYS A 64 -11.314 -8.926 -6.138 1.00 0.00 C ATOM 1023 CE LYS A 64 -11.114 -8.920 -7.654 1.00 0.00 C ATOM 1024 NZ LYS A 64 -12.443 -8.917 -8.329 1.00 0.00 N ATOM 0 H LYS A 64 -9.442 -5.925 -6.268 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.906 -5.168 -5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.190 -7.335 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.631 -7.019 -3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.013 -7.889 -5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.210 -7.007 -6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.350 -8.998 -5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.894 -9.800 -5.841 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.540 -8.043 -7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.541 -9.795 -7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.364 -9.389 -9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.133 -9.424 -7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.760 -7.936 -8.467 1.00 0.00 H new ATOM 1038 N ARG A 65 -12.445 -4.020 -3.593 1.00 0.00 N ATOM 1039 CA ARG A 65 -12.673 -3.192 -2.378 1.00 0.00 C ATOM 1040 C ARG A 65 -12.238 -3.999 -1.158 1.00 0.00 C ATOM 1041 O ARG A 65 -11.462 -3.544 -0.341 1.00 0.00 O ATOM 1042 CB ARG A 65 -14.159 -2.849 -2.263 1.00 0.00 C ATOM 1043 CG ARG A 65 -14.421 -1.482 -2.901 1.00 0.00 C ATOM 1044 CD ARG A 65 -13.988 -1.507 -4.368 1.00 0.00 C ATOM 1045 NE ARG A 65 -15.089 -2.066 -5.204 1.00 0.00 N ATOM 1046 CZ ARG A 65 -14.831 -2.529 -6.397 1.00 0.00 C ATOM 1047 NH1 ARG A 65 -14.650 -1.705 -7.393 1.00 0.00 N ATOM 1048 NH2 ARG A 65 -14.756 -3.817 -6.594 1.00 0.00 N ATOM 0 H ARG A 65 -13.244 -4.099 -4.222 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.100 -2.267 -2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.758 -3.613 -2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.460 -2.836 -1.215 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -15.480 -1.233 -2.828 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.874 -0.708 -2.363 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -13.740 -0.500 -4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.088 -2.111 -4.482 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.043 -2.087 -4.844 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -14.710 -0.698 -7.240 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.448 -2.068 -8.325 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -14.899 -4.461 -5.816 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.554 -4.180 -7.526 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.718 -5.207 -1.039 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.316 -6.052 0.116 1.00 0.00 C ATOM 1064 C GLU A 66 -10.814 -6.310 0.026 1.00 0.00 C ATOM 1065 O GLU A 66 -10.121 -6.371 1.022 1.00 0.00 O ATOM 1066 CB GLU A 66 -13.072 -7.382 0.068 1.00 0.00 C ATOM 1067 CG GLU A 66 -14.393 -7.247 0.830 1.00 0.00 C ATOM 1068 CD GLU A 66 -14.987 -8.637 1.072 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -14.233 -9.531 1.415 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -16.188 -8.781 0.908 1.00 0.00 O ATOM 0 H GLU A 66 -13.370 -5.643 -1.691 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.553 -5.546 1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.264 -7.666 -0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.465 -8.173 0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.227 -6.740 1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.093 -6.635 0.261 1.00 0.00 H new ATOM 1077 N GLU A 67 -10.303 -6.449 -1.169 1.00 0.00 N ATOM 1078 CA GLU A 67 -8.843 -6.686 -1.336 1.00 0.00 C ATOM 1079 C GLU A 67 -8.084 -5.490 -0.764 1.00 0.00 C ATOM 1080 O GLU A 67 -6.969 -5.610 -0.292 1.00 0.00 O ATOM 1081 CB GLU A 67 -8.516 -6.841 -2.822 1.00 0.00 C ATOM 1082 CG GLU A 67 -8.580 -8.320 -3.207 1.00 0.00 C ATOM 1083 CD GLU A 67 -9.913 -8.911 -2.743 1.00 0.00 C ATOM 1084 OE1 GLU A 67 -10.154 -8.914 -1.548 1.00 0.00 O ATOM 1085 OE2 GLU A 67 -10.671 -9.351 -3.594 1.00 0.00 O ATOM 0 H GLU A 67 -10.837 -6.408 -2.037 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.551 -7.596 -0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.222 -6.267 -3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.523 -6.443 -3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.477 -8.430 -4.287 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.751 -8.862 -2.751 1.00 0.00 H new ATOM 1092 N ALA A 68 -8.694 -4.336 -0.780 1.00 0.00 N ATOM 1093 CA ALA A 68 -8.028 -3.138 -0.218 1.00 0.00 C ATOM 1094 C ALA A 68 -8.101 -3.247 1.298 1.00 0.00 C ATOM 1095 O ALA A 68 -7.132 -3.027 1.996 1.00 0.00 O ATOM 1096 CB ALA A 68 -8.747 -1.870 -0.694 1.00 0.00 C ATOM 0 H ALA A 68 -9.627 -4.176 -1.160 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.990 -3.081 -0.547 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.252 -0.993 -0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.716 -1.821 -1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.785 -1.894 -0.361 1.00 0.00 H new ATOM 1102 N GLN A 69 -9.241 -3.624 1.810 1.00 0.00 N ATOM 1103 CA GLN A 69 -9.378 -3.789 3.281 1.00 0.00 C ATOM 1104 C GLN A 69 -8.385 -4.859 3.729 1.00 0.00 C ATOM 1105 O GLN A 69 -8.002 -4.928 4.878 1.00 0.00 O ATOM 1106 CB GLN A 69 -10.804 -4.227 3.620 1.00 0.00 C ATOM 1107 CG GLN A 69 -11.688 -2.991 3.796 1.00 0.00 C ATOM 1108 CD GLN A 69 -11.521 -2.441 5.214 1.00 0.00 C ATOM 1109 OE1 GLN A 69 -10.471 -1.941 5.563 1.00 0.00 O ATOM 1110 NE2 GLN A 69 -12.521 -2.510 6.049 1.00 0.00 N ATOM 0 H GLN A 69 -10.083 -3.825 1.271 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.174 -2.847 3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.200 -4.860 2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.806 -4.822 4.533 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -11.416 -2.230 3.065 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -12.732 -3.249 3.615 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.403 -2.930 5.755 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.421 -2.144 6.996 1.00 0.00 H new ATOM 1119 N GLU A 70 -7.953 -5.684 2.814 1.00 0.00 N ATOM 1120 CA GLU A 70 -6.962 -6.738 3.164 1.00 0.00 C ATOM 1121 C GLU A 70 -5.628 -6.059 3.432 1.00 0.00 C ATOM 1122 O GLU A 70 -5.086 -6.118 4.519 1.00 0.00 O ATOM 1123 CB GLU A 70 -6.792 -7.695 1.982 1.00 0.00 C ATOM 1124 CG GLU A 70 -7.669 -8.933 2.187 1.00 0.00 C ATOM 1125 CD GLU A 70 -9.126 -8.584 1.874 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -9.813 -8.133 2.775 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -9.529 -8.774 0.738 1.00 0.00 O ATOM 0 H GLU A 70 -8.245 -5.672 1.837 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.301 -7.294 4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.066 -7.193 1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.747 -7.990 1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.331 -9.742 1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.581 -9.288 3.214 1.00 0.00 H new ATOM 1134 N ALA A 71 -5.103 -5.401 2.438 1.00 0.00 N ATOM 1135 CA ALA A 71 -3.807 -4.699 2.607 1.00 0.00 C ATOM 1136 C ALA A 71 -3.990 -3.516 3.557 1.00 0.00 C ATOM 1137 O ALA A 71 -3.047 -2.848 3.929 1.00 0.00 O ATOM 1138 CB ALA A 71 -3.322 -4.202 1.249 1.00 0.00 C ATOM 0 H ALA A 71 -5.520 -5.320 1.511 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.069 -5.384 3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.370 -3.686 1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.192 -5.050 0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.057 -3.515 0.829 1.00 0.00 H new ATOM 1144 N ILE A 72 -5.193 -3.250 3.965 1.00 0.00 N ATOM 1145 CA ILE A 72 -5.410 -2.122 4.901 1.00 0.00 C ATOM 1146 C ILE A 72 -5.209 -2.637 6.323 1.00 0.00 C ATOM 1147 O ILE A 72 -4.342 -2.190 7.042 1.00 0.00 O ATOM 1148 CB ILE A 72 -6.829 -1.584 4.726 1.00 0.00 C ATOM 1149 CG1 ILE A 72 -6.922 -0.871 3.357 1.00 0.00 C ATOM 1150 CG2 ILE A 72 -7.159 -0.627 5.881 1.00 0.00 C ATOM 1151 CD1 ILE A 72 -7.021 0.652 3.525 1.00 0.00 C ATOM 0 H ILE A 72 -6.032 -3.762 3.692 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.706 -1.314 4.700 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.555 -2.397 4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.046 -1.116 2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.793 -1.236 2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.171 -0.243 5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.087 -1.162 6.828 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.453 0.203 5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.085 1.123 2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.912 0.897 4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.137 1.019 4.047 1.00 0.00 H new ATOM 1163 N SER A 73 -5.994 -3.591 6.728 1.00 0.00 N ATOM 1164 CA SER A 73 -5.843 -4.149 8.098 1.00 0.00 C ATOM 1165 C SER A 73 -4.613 -5.060 8.155 1.00 0.00 C ATOM 1166 O SER A 73 -4.287 -5.607 9.189 1.00 0.00 O ATOM 1167 CB SER A 73 -7.088 -4.962 8.449 1.00 0.00 C ATOM 1168 OG SER A 73 -7.134 -5.166 9.854 1.00 0.00 O ATOM 0 H SER A 73 -6.736 -4.010 6.168 1.00 0.00 H new ATOM 0 HA SER A 73 -5.720 -3.332 8.809 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.984 -4.438 8.116 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.068 -5.921 7.931 1.00 0.00 H new ATOM 0 HG SER A 73 -6.235 -5.372 10.184 1.00 0.00 H new ATOM 1174 N ALA A 74 -3.930 -5.237 7.053 1.00 0.00 N ATOM 1175 CA ALA A 74 -2.731 -6.126 7.064 1.00 0.00 C ATOM 1176 C ALA A 74 -1.507 -5.378 6.520 1.00 0.00 C ATOM 1177 O ALA A 74 -0.439 -5.424 7.099 1.00 0.00 O ATOM 1178 CB ALA A 74 -3.001 -7.355 6.193 1.00 0.00 C ATOM 0 H ALA A 74 -4.149 -4.808 6.154 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.531 -6.435 8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.126 -8.005 6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.860 -7.898 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.209 -7.038 5.171 1.00 0.00 H new ATOM 1184 N LEU A 75 -1.643 -4.706 5.406 1.00 0.00 N ATOM 1185 CA LEU A 75 -0.471 -3.979 4.829 1.00 0.00 C ATOM 1186 C LEU A 75 -0.320 -2.598 5.480 1.00 0.00 C ATOM 1187 O LEU A 75 0.747 -2.017 5.458 1.00 0.00 O ATOM 1188 CB LEU A 75 -0.646 -3.819 3.313 1.00 0.00 C ATOM 1189 CG LEU A 75 0.275 -4.798 2.582 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -0.403 -6.165 2.497 1.00 0.00 C ATOM 1191 CD2 LEU A 75 0.548 -4.290 1.164 1.00 0.00 C ATOM 0 H LEU A 75 -2.509 -4.629 4.873 1.00 0.00 H new ATOM 0 HA LEU A 75 0.428 -4.562 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.684 -4.004 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.414 -2.796 3.016 1.00 0.00 H new ATOM 0 HG LEU A 75 1.215 -4.882 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.252 -6.864 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.603 -6.535 3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.342 -6.072 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.204 -4.990 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.393 -4.205 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.027 -3.312 1.214 1.00 0.00 H new ATOM 1203 N ASN A 76 -1.361 -2.059 6.070 1.00 0.00 N ATOM 1204 CA ASN A 76 -1.219 -0.719 6.717 1.00 0.00 C ATOM 1205 C ASN A 76 0.047 -0.707 7.570 1.00 0.00 C ATOM 1206 O ASN A 76 0.618 0.325 7.850 1.00 0.00 O ATOM 1207 CB ASN A 76 -2.419 -0.428 7.618 1.00 0.00 C ATOM 1208 CG ASN A 76 -2.512 -1.506 8.697 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -2.129 -2.638 8.477 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -3.006 -1.202 9.866 1.00 0.00 N ATOM 0 H ASN A 76 -2.287 -2.482 6.131 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.164 0.041 5.938 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.314 0.555 8.077 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.335 -0.408 7.028 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.070 -1.914 10.593 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.328 -0.252 10.052 1.00 0.00 H new ATOM 1217 N ASN A 77 0.478 -1.859 7.981 1.00 0.00 N ATOM 1218 CA ASN A 77 1.703 -1.966 8.815 1.00 0.00 C ATOM 1219 C ASN A 77 2.465 -3.234 8.422 1.00 0.00 C ATOM 1220 O ASN A 77 2.292 -4.280 9.017 1.00 0.00 O ATOM 1221 CB ASN A 77 1.313 -2.043 10.295 1.00 0.00 C ATOM 1222 CG ASN A 77 1.185 -0.630 10.864 1.00 0.00 C ATOM 1223 OD1 ASN A 77 2.003 -0.204 11.654 1.00 0.00 O ATOM 1224 ND2 ASN A 77 0.184 0.122 10.492 1.00 0.00 N ATOM 0 H ASN A 77 0.026 -2.749 7.771 1.00 0.00 H new ATOM 0 HA ASN A 77 2.333 -1.091 8.655 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.370 -2.578 10.406 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.064 -2.604 10.851 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.090 1.067 10.865 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.503 -0.235 9.828 1.00 0.00 H new ATOM 1231 N VAL A 78 3.310 -3.153 7.430 1.00 0.00 N ATOM 1232 CA VAL A 78 4.082 -4.360 7.015 1.00 0.00 C ATOM 1233 C VAL A 78 5.240 -4.566 7.993 1.00 0.00 C ATOM 1234 O VAL A 78 6.333 -4.073 7.797 1.00 0.00 O ATOM 1235 CB VAL A 78 4.635 -4.173 5.595 1.00 0.00 C ATOM 1236 CG1 VAL A 78 5.288 -2.797 5.470 1.00 0.00 C ATOM 1237 CG2 VAL A 78 5.680 -5.256 5.309 1.00 0.00 C ATOM 0 H VAL A 78 3.499 -2.308 6.891 1.00 0.00 H new ATOM 0 HA VAL A 78 3.426 -5.231 7.023 1.00 0.00 H new ATOM 0 HB VAL A 78 3.817 -4.251 4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.679 -2.670 4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.548 -2.023 5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.104 -2.715 6.188 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.074 -5.125 4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.494 -5.176 6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.217 -6.239 5.392 1.00 0.00 H new ATOM 1247 N ILE A 79 4.998 -5.287 9.053 1.00 0.00 N ATOM 1248 CA ILE A 79 6.070 -5.530 10.062 1.00 0.00 C ATOM 1249 C ILE A 79 5.870 -6.912 10.680 1.00 0.00 C ATOM 1250 O ILE A 79 5.023 -7.669 10.250 1.00 0.00 O ATOM 1251 CB ILE A 79 5.996 -4.474 11.175 1.00 0.00 C ATOM 1252 CG1 ILE A 79 4.614 -3.809 11.178 1.00 0.00 C ATOM 1253 CG2 ILE A 79 7.065 -3.410 10.944 1.00 0.00 C ATOM 1254 CD1 ILE A 79 3.565 -4.812 11.659 1.00 0.00 C ATOM 0 H ILE A 79 4.100 -5.721 9.265 1.00 0.00 H new ATOM 0 HA ILE A 79 7.042 -5.471 9.572 1.00 0.00 H new ATOM 0 HB ILE A 79 6.163 -4.961 12.136 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.621 -2.934 11.829 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.365 -3.459 10.176 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.011 -2.662 11.735 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.050 -3.876 10.953 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.899 -2.931 9.979 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.583 -4.339 11.661 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.552 -5.673 10.991 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.812 -5.140 12.669 1.00 0.00 H new ATOM 1266 N PRO A 80 6.652 -7.191 11.687 1.00 0.00 N ATOM 1267 CA PRO A 80 6.516 -8.500 12.356 1.00 0.00 C ATOM 1268 C PRO A 80 5.758 -8.322 13.673 1.00 0.00 C ATOM 1269 O PRO A 80 5.884 -9.111 14.589 1.00 0.00 O ATOM 1270 CB PRO A 80 7.952 -8.954 12.612 1.00 0.00 C ATOM 1271 CG PRO A 80 8.811 -7.676 12.614 1.00 0.00 C ATOM 1272 CD PRO A 80 8.000 -6.601 11.872 1.00 0.00 C ATOM 0 HA PRO A 80 5.963 -9.228 11.763 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.031 -9.478 13.565 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.285 -9.646 11.839 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.033 -7.360 13.633 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.767 -7.851 12.120 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.950 -5.677 12.449 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.457 -6.354 10.914 1.00 0.00 H new ATOM 1280 N GLU A 81 4.972 -7.285 13.771 1.00 0.00 N ATOM 1281 CA GLU A 81 4.202 -7.040 15.023 1.00 0.00 C ATOM 1282 C GLU A 81 5.147 -6.551 16.122 1.00 0.00 C ATOM 1283 O GLU A 81 6.013 -7.272 16.576 1.00 0.00 O ATOM 1284 CB GLU A 81 3.534 -8.342 15.474 1.00 0.00 C ATOM 1285 CG GLU A 81 2.343 -8.014 16.377 1.00 0.00 C ATOM 1286 CD GLU A 81 2.487 -8.759 17.705 1.00 0.00 C ATOM 1287 OE1 GLU A 81 3.258 -8.306 18.535 1.00 0.00 O ATOM 1288 OE2 GLU A 81 1.825 -9.770 17.870 1.00 0.00 O ATOM 0 H GLU A 81 4.830 -6.594 13.034 1.00 0.00 H new ATOM 0 HA GLU A 81 3.441 -6.283 14.835 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.201 -8.913 14.607 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.250 -8.965 16.010 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.293 -6.940 16.554 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.412 -8.300 15.887 1.00 0.00 H new ATOM 1295 N GLY A 82 4.988 -5.330 16.557 1.00 0.00 N ATOM 1296 CA GLY A 82 5.877 -4.801 17.628 1.00 0.00 C ATOM 1297 C GLY A 82 6.043 -3.290 17.457 1.00 0.00 C ATOM 1298 O GLY A 82 6.434 -2.592 18.371 1.00 0.00 O ATOM 0 H GLY A 82 4.282 -4.678 16.217 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.454 -5.022 18.608 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.849 -5.291 17.583 1.00 0.00 H new ATOM 1302 N GLY A 83 5.751 -2.780 16.294 1.00 0.00 N ATOM 1303 CA GLY A 83 5.894 -1.317 16.067 1.00 0.00 C ATOM 1304 C GLY A 83 6.530 -1.071 14.699 1.00 0.00 C ATOM 1305 O GLY A 83 6.334 -1.832 13.772 1.00 0.00 O ATOM 0 H GLY A 83 5.419 -3.314 15.491 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.918 -0.834 16.118 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.510 -0.876 16.850 1.00 0.00 H new ATOM 1309 N SER A 84 7.281 -0.008 14.571 1.00 0.00 N ATOM 1310 CA SER A 84 7.940 0.317 13.267 1.00 0.00 C ATOM 1311 C SER A 84 6.956 1.069 12.359 1.00 0.00 C ATOM 1312 O SER A 84 7.354 1.862 11.528 1.00 0.00 O ATOM 1313 CB SER A 84 8.406 -0.967 12.581 1.00 0.00 C ATOM 1314 OG SER A 84 9.370 -0.646 11.586 1.00 0.00 O ATOM 0 H SER A 84 7.469 0.657 15.321 1.00 0.00 H new ATOM 0 HA SER A 84 8.807 0.951 13.456 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.837 -1.649 13.314 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.557 -1.480 12.129 1.00 0.00 H new ATOM 0 HG SER A 84 9.672 -1.468 11.146 1.00 0.00 H new ATOM 1320 N GLN A 85 5.676 0.838 12.520 1.00 0.00 N ATOM 1321 CA GLN A 85 4.659 1.544 11.683 1.00 0.00 C ATOM 1322 C GLN A 85 5.153 1.694 10.239 1.00 0.00 C ATOM 1323 O GLN A 85 5.802 2.665 9.907 1.00 0.00 O ATOM 1324 CB GLN A 85 4.381 2.934 12.270 1.00 0.00 C ATOM 1325 CG GLN A 85 5.594 3.419 13.067 1.00 0.00 C ATOM 1326 CD GLN A 85 5.268 4.761 13.728 1.00 0.00 C ATOM 1327 OE1 GLN A 85 5.662 5.009 14.850 1.00 0.00 O ATOM 1328 NE2 GLN A 85 4.561 5.642 13.075 1.00 0.00 N ATOM 0 H GLN A 85 5.290 0.185 13.202 1.00 0.00 H new ATOM 0 HA GLN A 85 3.744 0.952 11.682 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.157 3.638 11.468 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.503 2.896 12.915 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.862 2.684 13.826 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.456 3.526 12.408 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.230 5.434 12.133 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.339 6.539 13.507 1.00 0.00 H new ATOM 1337 N PRO A 86 4.803 0.734 9.420 1.00 0.00 N ATOM 1338 CA PRO A 86 5.214 0.821 8.001 1.00 0.00 C ATOM 1339 C PRO A 86 3.978 0.807 7.094 1.00 0.00 C ATOM 1340 O PRO A 86 2.862 0.758 7.563 1.00 0.00 O ATOM 1341 CB PRO A 86 6.069 -0.420 7.763 1.00 0.00 C ATOM 1342 CG PRO A 86 5.660 -1.435 8.839 1.00 0.00 C ATOM 1343 CD PRO A 86 4.994 -0.632 9.972 1.00 0.00 C ATOM 0 HA PRO A 86 5.759 1.739 7.781 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.901 -0.823 6.764 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.130 -0.182 7.836 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.971 -2.175 8.432 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.529 -1.979 9.209 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.042 -1.076 10.263 1.00 0.00 H new ATOM 0 HD3 PRO A 86 5.622 -0.613 10.863 1.00 0.00 H new ATOM 1351 N LEU A 87 4.192 0.857 5.801 1.00 0.00 N ATOM 1352 CA LEU A 87 3.063 0.859 4.811 1.00 0.00 C ATOM 1353 C LEU A 87 1.769 1.404 5.420 1.00 0.00 C ATOM 1354 O LEU A 87 0.805 0.682 5.563 1.00 0.00 O ATOM 1355 CB LEU A 87 2.773 -0.559 4.297 1.00 0.00 C ATOM 1356 CG LEU A 87 3.907 -1.043 3.393 1.00 0.00 C ATOM 1357 CD1 LEU A 87 3.619 -2.481 2.954 1.00 0.00 C ATOM 1358 CD2 LEU A 87 3.983 -0.147 2.154 1.00 0.00 C ATOM 0 H LEU A 87 5.120 0.897 5.380 1.00 0.00 H new ATOM 0 HA LEU A 87 3.383 1.503 3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.655 -1.241 5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.832 -0.567 3.746 1.00 0.00 H new ATOM 0 HG LEU A 87 4.852 -1.003 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.424 -2.833 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.551 -3.123 3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.676 -2.513 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.791 -0.489 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.039 -0.195 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.174 0.882 2.460 1.00 0.00 H new ATOM 1370 N SER A 88 1.701 2.665 5.740 1.00 0.00 N ATOM 1371 CA SER A 88 0.421 3.194 6.285 1.00 0.00 C ATOM 1372 C SER A 88 -0.505 3.361 5.086 1.00 0.00 C ATOM 1373 O SER A 88 -0.353 4.263 4.292 1.00 0.00 O ATOM 1374 CB SER A 88 0.649 4.545 6.969 1.00 0.00 C ATOM 1375 OG SER A 88 1.775 4.453 7.831 1.00 0.00 O ATOM 0 H SER A 88 2.460 3.341 5.651 1.00 0.00 H new ATOM 0 HA SER A 88 -0.003 2.522 7.031 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.812 5.321 6.221 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.236 4.831 7.538 1.00 0.00 H new ATOM 0 HG SER A 88 1.924 5.317 8.268 1.00 0.00 H new ATOM 1381 N VAL A 89 -1.412 2.443 4.922 1.00 0.00 N ATOM 1382 CA VAL A 89 -2.309 2.451 3.729 1.00 0.00 C ATOM 1383 C VAL A 89 -3.443 3.472 3.836 1.00 0.00 C ATOM 1384 O VAL A 89 -3.758 3.984 4.891 1.00 0.00 O ATOM 1385 CB VAL A 89 -2.916 1.060 3.584 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -1.835 0.076 3.133 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -3.480 0.614 4.933 1.00 0.00 C ATOM 0 H VAL A 89 -1.575 1.674 5.572 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.707 2.731 2.864 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.715 1.085 2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.269 -0.919 3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.429 0.396 2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.036 0.048 3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.915 -0.380 4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.679 0.588 5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.249 1.316 5.256 1.00 0.00 H new ATOM 1397 N ARG A 90 -4.047 3.751 2.705 1.00 0.00 N ATOM 1398 CA ARG A 90 -5.172 4.726 2.624 1.00 0.00 C ATOM 1399 C ARG A 90 -5.478 4.965 1.141 1.00 0.00 C ATOM 1400 O ARG A 90 -4.727 5.630 0.456 1.00 0.00 O ATOM 1401 CB ARG A 90 -4.759 6.049 3.274 1.00 0.00 C ATOM 1402 CG ARG A 90 -5.990 6.740 3.860 1.00 0.00 C ATOM 1403 CD ARG A 90 -5.540 7.871 4.786 1.00 0.00 C ATOM 1404 NE ARG A 90 -6.318 7.815 6.055 1.00 0.00 N ATOM 1405 CZ ARG A 90 -5.770 8.206 7.175 1.00 0.00 C ATOM 1406 NH1 ARG A 90 -4.574 7.790 7.496 1.00 0.00 N ATOM 1407 NH2 ARG A 90 -6.417 9.010 7.973 1.00 0.00 N ATOM 0 H ARG A 90 -3.796 3.329 1.811 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.048 4.337 3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.024 5.866 4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.284 6.695 2.536 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.615 7.136 3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.597 6.022 4.412 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.474 7.781 4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.688 8.835 4.299 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.278 7.471 6.050 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.069 7.160 6.873 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.146 8.095 8.370 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.351 9.334 7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.989 9.315 8.847 1.00 0.00 H new ATOM 1421 N LEU A 91 -6.565 4.415 0.640 1.00 0.00 N ATOM 1422 CA LEU A 91 -6.922 4.600 -0.808 1.00 0.00 C ATOM 1423 C LEU A 91 -6.475 5.995 -1.269 1.00 0.00 C ATOM 1424 O LEU A 91 -6.556 6.952 -0.527 1.00 0.00 O ATOM 1425 CB LEU A 91 -8.443 4.466 -0.973 1.00 0.00 C ATOM 1426 CG LEU A 91 -8.805 3.150 -1.683 1.00 0.00 C ATOM 1427 CD1 LEU A 91 -8.395 3.219 -3.155 1.00 0.00 C ATOM 1428 CD2 LEU A 91 -8.091 1.967 -1.015 1.00 0.00 C ATOM 0 H LEU A 91 -7.221 3.845 1.174 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.421 3.843 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.923 4.500 0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.826 5.310 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.883 3.006 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.655 2.283 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.918 4.043 -3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.319 3.380 -3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.358 1.044 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.012 2.115 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.395 1.901 0.030 1.00 0.00 H new ATOM 1440 N ALA A 92 -5.982 6.120 -2.473 1.00 0.00 N ATOM 1441 CA ALA A 92 -5.516 7.461 -2.941 1.00 0.00 C ATOM 1442 C ALA A 92 -5.917 7.682 -4.403 1.00 0.00 C ATOM 1443 O ALA A 92 -6.518 6.833 -5.030 1.00 0.00 O ATOM 1444 CB ALA A 92 -3.993 7.538 -2.820 1.00 0.00 C ATOM 0 H ALA A 92 -5.882 5.361 -3.147 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.979 8.232 -2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.650 8.515 -3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.703 7.394 -1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.539 6.760 -3.434 1.00 0.00 H new ATOM 1450 N GLU A 93 -5.583 8.823 -4.947 1.00 0.00 N ATOM 1451 CA GLU A 93 -5.938 9.110 -6.368 1.00 0.00 C ATOM 1452 C GLU A 93 -4.664 9.442 -7.147 1.00 0.00 C ATOM 1453 O GLU A 93 -4.109 10.515 -7.017 1.00 0.00 O ATOM 1454 CB GLU A 93 -6.900 10.306 -6.446 1.00 0.00 C ATOM 1455 CG GLU A 93 -7.528 10.574 -5.075 1.00 0.00 C ATOM 1456 CD GLU A 93 -8.305 9.340 -4.619 1.00 0.00 C ATOM 1457 OE1 GLU A 93 -9.046 8.802 -5.424 1.00 0.00 O ATOM 1458 OE2 GLU A 93 -8.145 8.953 -3.473 1.00 0.00 O ATOM 0 H GLU A 93 -5.079 9.569 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.424 8.233 -6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.363 11.191 -6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.682 10.105 -7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.752 10.817 -4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.193 11.436 -5.130 1.00 0.00 H new ATOM 1465 N GLU A 94 -4.195 8.533 -7.958 1.00 0.00 N ATOM 1466 CA GLU A 94 -2.957 8.802 -8.743 1.00 0.00 C ATOM 1467 C GLU A 94 -3.340 9.219 -10.165 1.00 0.00 C ATOM 1468 O GLU A 94 -4.469 9.579 -10.434 1.00 0.00 O ATOM 1469 CB GLU A 94 -2.099 7.536 -8.792 1.00 0.00 C ATOM 1470 CG GLU A 94 -0.633 7.896 -8.539 1.00 0.00 C ATOM 1471 CD GLU A 94 0.034 6.782 -7.730 1.00 0.00 C ATOM 1472 OE1 GLU A 94 -0.686 5.957 -7.192 1.00 0.00 O ATOM 1473 OE2 GLU A 94 1.251 6.773 -7.662 1.00 0.00 O ATOM 0 H GLU A 94 -4.615 7.616 -8.111 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.390 9.604 -8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.443 6.823 -8.043 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.202 7.052 -9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.112 8.033 -9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.567 8.841 -8.000 1.00 0.00 H new ATOM 1480 N HIS A 95 -2.408 9.176 -11.079 1.00 0.00 N ATOM 1481 CA HIS A 95 -2.722 9.572 -12.481 1.00 0.00 C ATOM 1482 C HIS A 95 -2.742 8.327 -13.369 1.00 0.00 C ATOM 1483 O HIS A 95 -2.426 8.385 -14.542 1.00 0.00 O ATOM 1484 CB HIS A 95 -1.655 10.546 -12.986 1.00 0.00 C ATOM 1485 CG HIS A 95 -0.291 10.001 -12.666 1.00 0.00 C ATOM 1486 ND1 HIS A 95 0.277 8.961 -13.384 1.00 0.00 N ATOM 1487 CD2 HIS A 95 0.631 10.342 -11.706 1.00 0.00 C ATOM 1488 CE1 HIS A 95 1.488 8.714 -12.851 1.00 0.00 C ATOM 1489 NE2 HIS A 95 1.753 9.527 -11.826 1.00 0.00 N ATOM 0 H HIS A 95 -1.444 8.884 -10.915 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.698 10.056 -12.514 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.758 10.690 -14.061 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.788 11.522 -12.519 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -0.146 8.472 -14.173 1.00 0.00 H new ATOM 0 HD2 HIS A 95 0.504 11.123 -10.971 1.00 0.00 H new ATOM 0 HE1 HIS A 95 2.163 7.951 -13.209 1.00 0.00 H new ATOM 1497 N GLY A 96 -3.107 7.200 -12.821 1.00 0.00 N ATOM 1498 CA GLY A 96 -3.145 5.952 -13.632 1.00 0.00 C ATOM 1499 C GLY A 96 -3.650 4.798 -12.766 1.00 0.00 C ATOM 1500 O GLY A 96 -4.323 3.903 -13.237 1.00 0.00 O ATOM 0 H GLY A 96 -3.381 7.091 -11.845 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.797 6.086 -14.495 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.151 5.725 -14.016 1.00 0.00 H new ATOM 1504 N LYS A 97 -3.332 4.811 -11.499 1.00 0.00 N ATOM 1505 CA LYS A 97 -3.796 3.715 -10.604 1.00 0.00 C ATOM 1506 C LYS A 97 -4.186 4.294 -9.243 1.00 0.00 C ATOM 1507 O LYS A 97 -4.683 3.541 -8.422 1.00 0.00 O ATOM 1508 CB LYS A 97 -2.670 2.697 -10.419 1.00 0.00 C ATOM 1509 CG LYS A 97 -2.324 2.074 -11.772 1.00 0.00 C ATOM 1510 CD LYS A 97 -1.117 2.798 -12.372 1.00 0.00 C ATOM 1511 CE LYS A 97 -0.587 2.005 -13.567 1.00 0.00 C ATOM 1512 NZ LYS A 97 0.397 0.992 -13.094 1.00 0.00 N ATOM 1513 OXT LYS A 97 -3.979 5.479 -9.044 1.00 0.00 O ATOM 0 H LYS A 97 -2.771 5.533 -11.047 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.661 3.225 -11.051 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.792 3.183 -9.994 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.977 1.922 -9.717 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.102 1.014 -11.650 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.177 2.146 -12.447 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.401 3.802 -12.686 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.336 2.909 -11.620 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.411 1.513 -14.085 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.116 2.678 -14.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.758 0.452 -13.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.188 1.472 -12.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.066 0.343 -12.426 1.00 0.00 H new