USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 526 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 75 THR OG1 : rot -122:sc= 1.29 USER MOD Set 1.2: A 77 HIS : no HD1:sc= -0.799 K(o=0.49,f=-5.5!) USER MOD Single : A 15 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.47) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -103:sc= -1.42 (180deg=-2.87!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -138:sc= 0.392 (180deg=-1.51!) USER MOD Single : A 27 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.1!) USER MOD Single : A 29 MET CE :methyl -134:sc= -0.211 (180deg=-0.894) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 42:sc= -0.735 USER MOD Single : A 42 HIS : no HD1:sc= -2.04 K(o=-2,f=-0.043) USER MOD Single : A 45 LYS NZ :NH3+ 148:sc= -0.554 (180deg=-1.55) USER MOD Single : A 47 HIS : no HE2:sc= 0.192 K(o=0.19,f=-3.9!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -96:sc= 0.437 USER MOD Single : A 63 SER OG : rot -113:sc= -0.485 USER MOD Single : A 67 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-1.8) USER MOD Single : A 72 CYS SG : rot 180:sc= 0.0379 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.0299 K(o=-0.03,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 14 15.035 0.624 -1.007 1.00 0.00 N ATOM 158 CA PHE A 14 13.838 -0.210 -1.003 1.00 0.00 C ATOM 159 C PHE A 14 14.172 -1.639 -0.587 1.00 0.00 C ATOM 160 O PHE A 14 15.340 -1.991 -0.420 1.00 0.00 O ATOM 161 CB PHE A 14 13.185 -0.208 -2.386 1.00 0.00 C ATOM 162 CG PHE A 14 12.570 1.111 -2.758 1.00 0.00 C ATOM 163 CD1 PHE A 14 13.357 2.243 -2.894 1.00 0.00 C ATOM 164 CD2 PHE A 14 11.205 1.219 -2.970 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.794 3.459 -3.236 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.637 2.431 -3.312 1.00 0.00 C ATOM 167 CZ PHE A 14 11.432 3.553 -3.444 1.00 0.00 C ATOM 0 HA PHE A 14 13.138 0.206 -0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.933 -0.474 -3.132 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.416 -0.980 -2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.422 2.175 -2.731 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.578 0.346 -2.867 1.00 0.00 H new ATOM 0 HE1 PHE A 14 13.419 4.334 -3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.572 2.501 -3.476 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.989 4.502 -3.709 1.00 0.00 H new ATOM 177 N GLN A 15 13.139 -2.458 -0.422 1.00 0.00 N ATOM 178 CA GLN A 15 13.322 -3.849 -0.024 1.00 0.00 C ATOM 179 C GLN A 15 12.234 -4.734 -0.622 1.00 0.00 C ATOM 180 O GLN A 15 11.191 -4.246 -1.059 1.00 0.00 O ATOM 181 CB GLN A 15 13.315 -3.971 1.500 1.00 0.00 C ATOM 182 CG GLN A 15 14.395 -3.147 2.182 1.00 0.00 C ATOM 183 CD GLN A 15 14.099 -2.893 3.647 1.00 0.00 C ATOM 184 OE1 GLN A 15 12.976 -2.544 4.014 1.00 0.00 O ATOM 185 NE2 GLN A 15 15.106 -3.068 4.494 1.00 0.00 N ATOM 0 H GLN A 15 12.166 -2.183 -0.558 1.00 0.00 H new ATOM 0 HA GLN A 15 14.287 -4.185 -0.403 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.341 -3.660 1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.443 -5.019 1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.351 -3.663 2.093 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.499 -2.193 1.666 1.00 0.00 H new ATOM 0 HE21 GLN A 15 16.020 -3.358 4.147 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.966 -2.913 5.492 1.00 0.00 H new ATOM 194 N LYS A 16 12.482 -6.039 -0.639 1.00 0.00 N ATOM 195 CA LYS A 16 11.524 -6.994 -1.183 1.00 0.00 C ATOM 196 C LYS A 16 10.566 -7.480 -0.100 1.00 0.00 C ATOM 197 O LYS A 16 10.908 -7.498 1.083 1.00 0.00 O ATOM 198 CB LYS A 16 12.256 -8.186 -1.803 1.00 0.00 C ATOM 199 CG LYS A 16 12.769 -7.921 -3.208 1.00 0.00 C ATOM 200 CD LYS A 16 13.917 -8.849 -3.567 1.00 0.00 C ATOM 201 CE LYS A 16 15.202 -8.446 -2.859 1.00 0.00 C ATOM 202 NZ LYS A 16 16.207 -9.544 -2.868 1.00 0.00 N ATOM 0 H LYS A 16 13.340 -6.460 -0.282 1.00 0.00 H new ATOM 0 HA LYS A 16 10.945 -6.489 -1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.096 -8.458 -1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.583 -9.043 -1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.957 -8.052 -3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.099 -6.885 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.657 -9.872 -3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.075 -8.834 -4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.623 -7.565 -3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.977 -8.167 -1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.068 -9.230 -2.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.816 -10.377 -2.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.441 -9.793 -3.850 1.00 0.00 H new ATOM 216 N LYS A 17 9.366 -7.875 -0.511 1.00 0.00 N ATOM 217 CA LYS A 17 8.359 -8.365 0.423 1.00 0.00 C ATOM 218 C LYS A 17 7.887 -7.248 1.349 1.00 0.00 C ATOM 219 O LYS A 17 7.421 -7.504 2.458 1.00 0.00 O ATOM 220 CB LYS A 17 8.922 -9.523 1.250 1.00 0.00 C ATOM 221 CG LYS A 17 9.560 -10.616 0.410 1.00 0.00 C ATOM 222 CD LYS A 17 9.775 -11.886 1.217 1.00 0.00 C ATOM 223 CE LYS A 17 10.287 -13.021 0.345 1.00 0.00 C ATOM 224 NZ LYS A 17 9.848 -14.351 0.850 1.00 0.00 N ATOM 0 H LYS A 17 9.067 -7.865 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 17 7.505 -8.720 -0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.663 -9.133 1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.119 -9.957 1.846 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.925 -10.833 -0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.516 -10.265 0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.487 -11.692 2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.838 -12.182 1.688 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.930 -12.884 -0.676 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.376 -12.988 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.218 -15.098 0.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.210 -14.493 1.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.809 -14.393 0.861 1.00 0.00 H new ATOM 238 N MET A 18 8.011 -6.009 0.884 1.00 0.00 N ATOM 239 CA MET A 18 7.594 -4.853 1.670 1.00 0.00 C ATOM 240 C MET A 18 6.397 -4.161 1.025 1.00 0.00 C ATOM 241 O MET A 18 5.998 -4.498 -0.089 1.00 0.00 O ATOM 242 CB MET A 18 8.752 -3.865 1.817 1.00 0.00 C ATOM 243 CG MET A 18 8.888 -2.909 0.643 1.00 0.00 C ATOM 244 SD MET A 18 10.184 -1.680 0.894 1.00 0.00 S ATOM 245 CE MET A 18 9.686 -0.420 -0.277 1.00 0.00 C ATOM 0 H MET A 18 8.396 -5.780 -0.032 1.00 0.00 H new ATOM 0 HA MET A 18 7.299 -5.204 2.659 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.612 -3.288 2.731 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.682 -4.422 1.931 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.103 -3.478 -0.261 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.937 -2.401 0.481 1.00 0.00 H new ATOM 0 HE1 MET A 18 10.320 -0.474 -1.162 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.647 -0.581 -0.565 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.787 0.564 0.182 1.00 0.00 H new ATOM 255 N LYS A 19 5.829 -3.190 1.733 1.00 0.00 N ATOM 256 CA LYS A 19 4.679 -2.449 1.231 1.00 0.00 C ATOM 257 C LYS A 19 5.058 -1.006 0.912 1.00 0.00 C ATOM 258 O LYS A 19 5.995 -0.457 1.494 1.00 0.00 O ATOM 259 CB LYS A 19 3.542 -2.474 2.255 1.00 0.00 C ATOM 260 CG LYS A 19 2.897 -3.840 2.415 1.00 0.00 C ATOM 261 CD LYS A 19 2.258 -4.309 1.119 1.00 0.00 C ATOM 262 CE LYS A 19 1.059 -5.208 1.382 1.00 0.00 C ATOM 263 NZ LYS A 19 1.463 -6.510 1.981 1.00 0.00 N ATOM 0 H LYS A 19 6.147 -2.898 2.657 1.00 0.00 H new ATOM 0 HA LYS A 19 4.343 -2.930 0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.927 -2.148 3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.780 -1.754 1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.648 -4.563 2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.142 -3.797 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.945 -3.445 0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.995 -4.848 0.523 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.364 -4.700 2.051 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.528 -5.387 0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.618 -7.094 2.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.106 -7.006 1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.948 -6.341 2.885 1.00 0.00 H new ATOM 277 N LEU A 20 4.325 -0.397 -0.013 1.00 0.00 N ATOM 278 CA LEU A 20 4.584 0.983 -0.408 1.00 0.00 C ATOM 279 C LEU A 20 3.468 1.513 -1.302 1.00 0.00 C ATOM 280 O LEU A 20 2.937 0.787 -2.143 1.00 0.00 O ATOM 281 CB LEU A 20 5.926 1.083 -1.135 1.00 0.00 C ATOM 282 CG LEU A 20 5.875 0.967 -2.659 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.704 2.338 -3.294 1.00 0.00 C ATOM 284 CD2 LEU A 20 7.130 0.286 -3.184 1.00 0.00 C ATOM 0 H LEU A 20 3.546 -0.837 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 20 4.621 1.592 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.385 2.038 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.582 0.301 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 20 5.014 0.355 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.670 2.235 -4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.776 2.788 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.544 2.975 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.076 0.212 -4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.006 0.871 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.208 -0.713 -2.756 1.00 0.00 H new ATOM 296 N GLU A 21 3.118 2.782 -1.116 1.00 0.00 N ATOM 297 CA GLU A 21 2.066 3.408 -1.908 1.00 0.00 C ATOM 298 C GLU A 21 2.600 3.859 -3.264 1.00 0.00 C ATOM 299 O GLU A 21 3.482 4.714 -3.343 1.00 0.00 O ATOM 300 CB GLU A 21 1.475 4.603 -1.157 1.00 0.00 C ATOM 301 CG GLU A 21 0.782 4.225 0.141 1.00 0.00 C ATOM 302 CD GLU A 21 -0.068 5.350 0.698 1.00 0.00 C ATOM 303 OE1 GLU A 21 0.122 6.506 0.266 1.00 0.00 O ATOM 304 OE2 GLU A 21 -0.924 5.074 1.565 1.00 0.00 O ATOM 0 H GLU A 21 3.547 3.396 -0.424 1.00 0.00 H new ATOM 0 HA GLU A 21 1.283 2.668 -2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.272 5.315 -0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.761 5.112 -1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.154 3.350 -0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.532 3.941 0.880 1.00 0.00 H new ATOM 311 N VAL A 22 2.060 3.276 -4.330 1.00 0.00 N ATOM 312 CA VAL A 22 2.481 3.617 -5.683 1.00 0.00 C ATOM 313 C VAL A 22 1.374 4.345 -6.437 1.00 0.00 C ATOM 314 O VAL A 22 0.211 3.943 -6.393 1.00 0.00 O ATOM 315 CB VAL A 22 2.888 2.362 -6.478 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.299 2.735 -7.894 1.00 0.00 C ATOM 317 CG2 VAL A 22 4.011 1.622 -5.766 1.00 0.00 C ATOM 0 H VAL A 22 1.330 2.565 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 22 3.345 4.274 -5.588 1.00 0.00 H new ATOM 0 HB VAL A 22 2.026 1.697 -6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.583 1.835 -8.439 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.463 3.218 -8.400 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.146 3.420 -7.858 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.286 0.738 -6.341 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.877 2.278 -5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.676 1.319 -4.774 1.00 0.00 H new ATOM 327 N VAL A 23 1.742 5.418 -7.128 1.00 0.00 N ATOM 328 CA VAL A 23 0.780 6.202 -7.893 1.00 0.00 C ATOM 329 C VAL A 23 0.451 5.526 -9.219 1.00 0.00 C ATOM 330 O VAL A 23 1.339 5.257 -10.028 1.00 0.00 O ATOM 331 CB VAL A 23 1.307 7.623 -8.171 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.323 8.399 -9.032 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.578 8.354 -6.865 1.00 0.00 C ATOM 0 H VAL A 23 2.700 5.765 -7.174 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.124 6.270 -7.288 1.00 0.00 H new ATOM 0 HB VAL A 23 2.246 7.543 -8.718 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.713 9.400 -9.218 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.184 7.882 -9.981 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.634 8.472 -8.515 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.950 9.356 -7.079 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.655 8.425 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.324 7.806 -6.289 1.00 0.00 H new ATOM 343 N ASP A 24 -0.831 5.254 -9.436 1.00 0.00 N ATOM 344 CA ASP A 24 -1.279 4.611 -10.666 1.00 0.00 C ATOM 345 C ASP A 24 -0.864 5.424 -11.887 1.00 0.00 C ATOM 346 O ASP A 24 -1.398 6.505 -12.138 1.00 0.00 O ATOM 347 CB ASP A 24 -2.798 4.431 -10.649 1.00 0.00 C ATOM 348 CG ASP A 24 -3.261 3.330 -11.582 1.00 0.00 C ATOM 349 OD1 ASP A 24 -3.318 3.574 -12.806 1.00 0.00 O ATOM 350 OD2 ASP A 24 -3.566 2.224 -11.089 1.00 0.00 O ATOM 0 H ASP A 24 -1.579 5.469 -8.776 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.806 3.631 -10.727 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.123 4.203 -9.634 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.275 5.369 -10.933 1.00 0.00 H new ATOM 355 N LYS A 25 0.093 4.899 -12.645 1.00 0.00 N ATOM 356 CA LYS A 25 0.581 5.575 -13.841 1.00 0.00 C ATOM 357 C LYS A 25 -0.575 6.171 -14.638 1.00 0.00 C ATOM 358 O LYS A 25 -0.612 7.376 -14.888 1.00 0.00 O ATOM 359 CB LYS A 25 1.370 4.600 -14.717 1.00 0.00 C ATOM 360 CG LYS A 25 2.060 3.498 -13.932 1.00 0.00 C ATOM 361 CD LYS A 25 2.850 4.058 -12.761 1.00 0.00 C ATOM 362 CE LYS A 25 4.236 4.514 -13.191 1.00 0.00 C ATOM 363 NZ LYS A 25 5.190 3.375 -13.285 1.00 0.00 N ATOM 0 H LYS A 25 0.546 4.006 -12.452 1.00 0.00 H new ATOM 0 HA LYS A 25 1.239 6.385 -13.528 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.694 4.149 -15.443 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.119 5.156 -15.281 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.316 2.791 -13.565 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.728 2.944 -14.591 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.309 4.897 -12.324 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.940 3.298 -11.985 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.170 5.013 -14.158 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.615 5.247 -12.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.107 3.656 -12.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.814 2.562 -12.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.317 3.110 -14.283 1.00 0.00 H new ATOM 377 N ARG A 26 -1.516 5.320 -15.034 1.00 0.00 N ATOM 378 CA ARG A 26 -2.672 5.764 -15.802 1.00 0.00 C ATOM 379 C ARG A 26 -3.512 6.753 -15.000 1.00 0.00 C ATOM 380 O ARG A 26 -4.165 7.629 -15.565 1.00 0.00 O ATOM 381 CB ARG A 26 -3.530 4.565 -16.211 1.00 0.00 C ATOM 382 CG ARG A 26 -2.747 3.266 -16.324 1.00 0.00 C ATOM 383 CD ARG A 26 -3.348 2.344 -17.373 1.00 0.00 C ATOM 384 NE ARG A 26 -4.753 2.050 -17.104 1.00 0.00 N ATOM 385 CZ ARG A 26 -5.162 1.236 -16.136 1.00 0.00 C ATOM 386 NH1 ARG A 26 -4.277 0.639 -15.351 1.00 0.00 N ATOM 387 NH2 ARG A 26 -6.458 1.020 -15.953 1.00 0.00 N ATOM 0 H ARG A 26 -1.500 4.320 -14.836 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.309 6.266 -16.699 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.329 4.435 -15.481 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.004 4.778 -17.169 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.711 3.485 -16.581 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.735 2.761 -15.358 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.256 2.805 -18.356 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.782 1.413 -17.404 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.459 2.494 -17.691 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.280 0.804 -15.489 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.593 0.015 -14.609 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.142 1.479 -16.555 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.771 0.395 -15.210 1.00 0.00 H new ATOM 401 N ASN A 27 -3.489 6.606 -13.679 1.00 0.00 N ATOM 402 CA ASN A 27 -4.249 7.486 -12.799 1.00 0.00 C ATOM 403 C ASN A 27 -3.346 8.104 -11.736 1.00 0.00 C ATOM 404 O ASN A 27 -3.125 7.535 -10.666 1.00 0.00 O ATOM 405 CB ASN A 27 -5.388 6.713 -12.130 1.00 0.00 C ATOM 406 CG ASN A 27 -6.669 6.754 -12.940 1.00 0.00 C ATOM 407 OD1 ASN A 27 -6.986 7.763 -13.570 1.00 0.00 O ATOM 408 ND2 ASN A 27 -7.412 5.653 -12.928 1.00 0.00 N ATOM 0 H ASN A 27 -2.953 5.886 -13.195 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.670 8.289 -13.404 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.085 5.676 -11.987 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.574 7.130 -11.140 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.284 5.621 -13.455 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.110 4.840 -12.391 1.00 0.00 H new ATOM 415 N PRO A 28 -2.810 9.296 -12.035 1.00 0.00 N ATOM 416 CA PRO A 28 -1.924 10.019 -11.118 1.00 0.00 C ATOM 417 C PRO A 28 -2.662 10.548 -9.893 1.00 0.00 C ATOM 418 O PRO A 28 -2.047 10.879 -8.881 1.00 0.00 O ATOM 419 CB PRO A 28 -1.401 11.178 -11.970 1.00 0.00 C ATOM 420 CG PRO A 28 -2.450 11.390 -13.006 1.00 0.00 C ATOM 421 CD PRO A 28 -3.030 10.032 -13.291 1.00 0.00 C ATOM 0 HA PRO A 28 -1.139 9.377 -10.720 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.251 12.075 -11.369 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.440 10.934 -12.423 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.218 12.076 -12.649 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.025 11.830 -13.908 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.089 10.092 -13.541 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.531 9.550 -14.132 1.00 0.00 H new ATOM 429 N MET A 29 -3.985 10.623 -9.993 1.00 0.00 N ATOM 430 CA MET A 29 -4.808 11.111 -8.892 1.00 0.00 C ATOM 431 C MET A 29 -5.313 9.953 -8.037 1.00 0.00 C ATOM 432 O MET A 29 -6.232 10.116 -7.234 1.00 0.00 O ATOM 433 CB MET A 29 -5.991 11.918 -9.429 1.00 0.00 C ATOM 434 CG MET A 29 -5.587 13.236 -10.069 1.00 0.00 C ATOM 435 SD MET A 29 -6.948 14.027 -10.948 1.00 0.00 S ATOM 436 CE MET A 29 -7.251 12.832 -12.248 1.00 0.00 C ATOM 0 H MET A 29 -4.510 10.352 -10.825 1.00 0.00 H new ATOM 0 HA MET A 29 -4.191 11.758 -8.269 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.527 11.316 -10.163 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.685 12.118 -8.612 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.216 13.911 -9.298 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.764 13.062 -10.762 1.00 0.00 H new ATOM 0 HE1 MET A 29 -7.354 13.350 -13.202 1.00 0.00 H new ATOM 0 HE2 MET A 29 -6.416 12.134 -12.302 1.00 0.00 H new ATOM 0 HE3 MET A 29 -8.168 12.284 -12.032 1.00 0.00 H new ATOM 446 N PHE A 30 -4.707 8.784 -8.214 1.00 0.00 N ATOM 447 CA PHE A 30 -5.097 7.598 -7.460 1.00 0.00 C ATOM 448 C PHE A 30 -3.869 6.850 -6.950 1.00 0.00 C ATOM 449 O PHE A 30 -2.920 6.611 -7.698 1.00 0.00 O ATOM 450 CB PHE A 30 -5.949 6.671 -8.330 1.00 0.00 C ATOM 451 CG PHE A 30 -7.301 7.235 -8.661 1.00 0.00 C ATOM 452 CD1 PHE A 30 -7.422 8.341 -9.486 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.451 6.658 -8.147 1.00 0.00 C ATOM 454 CE1 PHE A 30 -8.665 8.862 -9.791 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.697 7.175 -8.449 1.00 0.00 C ATOM 456 CZ PHE A 30 -9.804 8.278 -9.273 1.00 0.00 C ATOM 0 H PHE A 30 -3.944 8.632 -8.873 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.686 7.921 -6.602 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.414 6.463 -9.257 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.077 5.719 -7.815 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.535 8.801 -9.895 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.373 5.794 -7.503 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.746 9.726 -10.434 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.586 6.717 -8.041 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.776 8.683 -9.512 1.00 0.00 H new ATOM 466 N ILE A 31 -3.895 6.483 -5.673 1.00 0.00 N ATOM 467 CA ILE A 31 -2.784 5.762 -5.064 1.00 0.00 C ATOM 468 C ILE A 31 -3.271 4.503 -4.353 1.00 0.00 C ATOM 469 O ILE A 31 -4.331 4.502 -3.727 1.00 0.00 O ATOM 470 CB ILE A 31 -2.024 6.645 -4.057 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.380 7.834 -4.773 1.00 0.00 C ATOM 472 CG2 ILE A 31 -0.971 5.827 -3.325 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.115 9.015 -3.865 1.00 0.00 C ATOM 0 H ILE A 31 -4.673 6.673 -5.041 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.108 5.483 -5.872 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.734 7.028 -3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.440 7.512 -5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.029 8.152 -5.589 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.442 6.465 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.453 5.010 -2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.262 5.419 -4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.658 9.820 -4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.055 9.363 -3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.441 8.714 -3.063 1.00 0.00 H new ATOM 485 N ARG A 32 -2.488 3.434 -4.453 1.00 0.00 N ATOM 486 CA ARG A 32 -2.838 2.169 -3.819 1.00 0.00 C ATOM 487 C ARG A 32 -1.596 1.473 -3.272 1.00 0.00 C ATOM 488 O ARG A 32 -0.472 1.785 -3.665 1.00 0.00 O ATOM 489 CB ARG A 32 -3.550 1.254 -4.818 1.00 0.00 C ATOM 490 CG ARG A 32 -4.748 1.902 -5.491 1.00 0.00 C ATOM 491 CD ARG A 32 -5.796 0.870 -5.878 1.00 0.00 C ATOM 492 NE ARG A 32 -6.798 1.422 -6.787 1.00 0.00 N ATOM 493 CZ ARG A 32 -7.904 0.776 -7.140 1.00 0.00 C ATOM 494 NH1 ARG A 32 -8.149 -0.436 -6.663 1.00 0.00 N ATOM 495 NH2 ARG A 32 -8.768 1.344 -7.972 1.00 0.00 N ATOM 0 H ARG A 32 -1.607 3.419 -4.967 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.510 2.382 -2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.839 0.942 -5.583 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.878 0.352 -4.302 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.191 2.637 -4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.420 2.440 -6.380 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.308 0.018 -6.351 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.288 0.498 -4.979 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.640 2.354 -7.171 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.488 -0.875 -6.023 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.999 -0.929 -6.936 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.583 2.277 -8.341 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.617 0.848 -8.243 1.00 0.00 H new ATOM 509 N VAL A 33 -1.806 0.528 -2.361 1.00 0.00 N ATOM 510 CA VAL A 33 -0.704 -0.213 -1.759 1.00 0.00 C ATOM 511 C VAL A 33 0.003 -1.082 -2.792 1.00 0.00 C ATOM 512 O VAL A 33 -0.618 -1.575 -3.734 1.00 0.00 O ATOM 513 CB VAL A 33 -1.193 -1.105 -0.602 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.041 -1.918 -0.031 1.00 0.00 C ATOM 515 CG2 VAL A 33 -1.849 -0.261 0.480 1.00 0.00 C ATOM 0 H VAL A 33 -2.730 0.257 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.003 0.525 -1.368 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.938 -1.799 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.405 -2.542 0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.380 -2.551 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.729 -1.244 0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.189 -0.907 1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.128 0.458 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.702 0.272 0.059 1.00 0.00 H new ATOM 525 N ALA A 34 1.306 -1.267 -2.610 1.00 0.00 N ATOM 526 CA ALA A 34 2.098 -2.079 -3.525 1.00 0.00 C ATOM 527 C ALA A 34 2.995 -3.049 -2.763 1.00 0.00 C ATOM 528 O ALA A 34 3.225 -2.888 -1.564 1.00 0.00 O ATOM 529 CB ALA A 34 2.933 -1.189 -4.434 1.00 0.00 C ATOM 0 H ALA A 34 1.836 -0.865 -1.837 1.00 0.00 H new ATOM 0 HA ALA A 34 1.412 -2.664 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.519 -1.809 -5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.275 -0.541 -5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.604 -0.579 -3.829 1.00 0.00 H new ATOM 535 N THR A 35 3.499 -4.059 -3.466 1.00 0.00 N ATOM 536 CA THR A 35 4.368 -5.057 -2.856 1.00 0.00 C ATOM 537 C THR A 35 5.627 -5.272 -3.688 1.00 0.00 C ATOM 538 O THR A 35 5.581 -5.889 -4.752 1.00 0.00 O ATOM 539 CB THR A 35 3.643 -6.405 -2.684 1.00 0.00 C ATOM 540 OG1 THR A 35 2.477 -6.233 -1.870 1.00 0.00 O ATOM 541 CG2 THR A 35 4.562 -7.437 -2.050 1.00 0.00 C ATOM 0 H THR A 35 3.320 -4.207 -4.459 1.00 0.00 H new ATOM 0 HA THR A 35 4.646 -4.675 -1.874 1.00 0.00 H new ATOM 0 HB THR A 35 3.348 -6.762 -3.671 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.020 -7.094 -1.767 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.028 -8.381 -1.939 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.434 -7.587 -2.686 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.884 -7.085 -1.070 1.00 0.00 H new ATOM 549 N VAL A 36 6.751 -4.761 -3.197 1.00 0.00 N ATOM 550 CA VAL A 36 8.023 -4.899 -3.895 1.00 0.00 C ATOM 551 C VAL A 36 8.396 -6.367 -4.072 1.00 0.00 C ATOM 552 O VAL A 36 8.844 -7.022 -3.131 1.00 0.00 O ATOM 553 CB VAL A 36 9.158 -4.180 -3.141 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.441 -4.204 -3.959 1.00 0.00 C ATOM 555 CG2 VAL A 36 8.754 -2.751 -2.809 1.00 0.00 C ATOM 0 H VAL A 36 6.806 -4.247 -2.318 1.00 0.00 H new ATOM 0 HA VAL A 36 7.898 -4.438 -4.875 1.00 0.00 H new ATOM 0 HB VAL A 36 9.342 -4.708 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.232 -3.692 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.737 -5.237 -4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.275 -3.700 -4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.567 -2.257 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.542 -2.209 -3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.863 -2.761 -2.181 1.00 0.00 H new ATOM 565 N ALA A 37 8.208 -6.877 -5.284 1.00 0.00 N ATOM 566 CA ALA A 37 8.527 -8.267 -5.586 1.00 0.00 C ATOM 567 C ALA A 37 10.021 -8.447 -5.832 1.00 0.00 C ATOM 568 O ALA A 37 10.666 -9.288 -5.206 1.00 0.00 O ATOM 569 CB ALA A 37 7.731 -8.742 -6.792 1.00 0.00 C ATOM 0 H ALA A 37 7.836 -6.349 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 37 8.252 -8.872 -4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.980 -9.782 -7.006 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.665 -8.660 -6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.977 -8.125 -7.656 1.00 0.00 H new ATOM 575 N ASP A 38 10.565 -7.652 -6.747 1.00 0.00 N ATOM 576 CA ASP A 38 11.984 -7.723 -7.075 1.00 0.00 C ATOM 577 C ASP A 38 12.593 -6.326 -7.157 1.00 0.00 C ATOM 578 O ASP A 38 12.058 -5.441 -7.825 1.00 0.00 O ATOM 579 CB ASP A 38 12.186 -8.459 -8.400 1.00 0.00 C ATOM 580 CG ASP A 38 13.549 -9.118 -8.494 1.00 0.00 C ATOM 581 OD1 ASP A 38 14.498 -8.612 -7.860 1.00 0.00 O ATOM 582 OD2 ASP A 38 13.665 -10.140 -9.202 1.00 0.00 O ATOM 0 H ASP A 38 10.045 -6.951 -7.275 1.00 0.00 H new ATOM 0 HA ASP A 38 12.489 -8.274 -6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.411 -9.217 -8.513 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.068 -7.756 -9.225 1.00 0.00 H new ATOM 587 N THR A 39 13.717 -6.135 -6.472 1.00 0.00 N ATOM 588 CA THR A 39 14.398 -4.847 -6.465 1.00 0.00 C ATOM 589 C THR A 39 15.586 -4.848 -7.419 1.00 0.00 C ATOM 590 O THR A 39 16.568 -5.559 -7.203 1.00 0.00 O ATOM 591 CB THR A 39 14.889 -4.479 -5.052 1.00 0.00 C ATOM 592 OG1 THR A 39 15.534 -5.606 -4.449 1.00 0.00 O ATOM 593 CG2 THR A 39 13.731 -4.023 -4.178 1.00 0.00 C ATOM 0 H THR A 39 14.174 -6.857 -5.915 1.00 0.00 H new ATOM 0 HA THR A 39 13.672 -4.104 -6.794 1.00 0.00 H new ATOM 0 HB THR A 39 15.601 -3.658 -5.141 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.097 -6.055 -5.114 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.103 -3.769 -3.185 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.261 -3.147 -4.625 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.998 -4.826 -4.096 1.00 0.00 H new ATOM 601 N ASP A 40 15.492 -4.047 -8.475 1.00 0.00 N ATOM 602 CA ASP A 40 16.561 -3.954 -9.463 1.00 0.00 C ATOM 603 C ASP A 40 17.719 -3.114 -8.933 1.00 0.00 C ATOM 604 O ASP A 40 17.717 -2.698 -7.774 1.00 0.00 O ATOM 605 CB ASP A 40 16.031 -3.351 -10.764 1.00 0.00 C ATOM 606 CG ASP A 40 16.818 -3.807 -11.977 1.00 0.00 C ATOM 607 OD1 ASP A 40 17.476 -4.865 -11.894 1.00 0.00 O ATOM 608 OD2 ASP A 40 16.777 -3.105 -13.009 1.00 0.00 O ATOM 0 H ASP A 40 14.686 -3.453 -8.669 1.00 0.00 H new ATOM 0 HA ASP A 40 16.927 -4.961 -9.662 1.00 0.00 H new ATOM 0 HB2 ASP A 40 14.984 -3.627 -10.889 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.068 -2.264 -10.698 1.00 0.00 H new ATOM 613 N ASP A 41 18.706 -2.871 -9.788 1.00 0.00 N ATOM 614 CA ASP A 41 19.871 -2.081 -9.406 1.00 0.00 C ATOM 615 C ASP A 41 19.495 -0.614 -9.220 1.00 0.00 C ATOM 616 O ASP A 41 20.010 0.061 -8.328 1.00 0.00 O ATOM 617 CB ASP A 41 20.969 -2.209 -10.463 1.00 0.00 C ATOM 618 CG ASP A 41 21.893 -3.381 -10.199 1.00 0.00 C ATOM 619 OD1 ASP A 41 22.796 -3.244 -9.348 1.00 0.00 O ATOM 620 OD2 ASP A 41 21.713 -4.436 -10.844 1.00 0.00 O ATOM 0 H ASP A 41 18.723 -3.210 -10.750 1.00 0.00 H new ATOM 0 HA ASP A 41 20.245 -2.465 -8.457 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.512 -2.325 -11.446 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.553 -1.289 -10.490 1.00 0.00 H new ATOM 625 N HIS A 42 18.595 -0.126 -10.068 1.00 0.00 N ATOM 626 CA HIS A 42 18.151 1.261 -9.997 1.00 0.00 C ATOM 627 C HIS A 42 16.629 1.349 -10.071 1.00 0.00 C ATOM 628 O HIS A 42 16.067 2.434 -10.222 1.00 0.00 O ATOM 629 CB HIS A 42 18.776 2.077 -11.128 1.00 0.00 C ATOM 630 CG HIS A 42 19.067 1.273 -12.358 1.00 0.00 C ATOM 631 ND1 HIS A 42 20.132 1.534 -13.194 1.00 0.00 N ATOM 632 CD2 HIS A 42 18.425 0.207 -12.890 1.00 0.00 C ATOM 633 CE1 HIS A 42 20.132 0.664 -14.188 1.00 0.00 C ATOM 634 NE2 HIS A 42 19.106 -0.153 -14.027 1.00 0.00 N ATOM 0 H HIS A 42 18.159 -0.671 -10.812 1.00 0.00 H new ATOM 0 HA HIS A 42 18.475 1.672 -9.041 1.00 0.00 H new ATOM 0 HB2 HIS A 42 18.104 2.895 -11.389 1.00 0.00 H new ATOM 0 HB3 HIS A 42 19.702 2.527 -10.771 1.00 0.00 H new ATOM 0 HD2 HIS A 42 17.541 -0.272 -12.494 1.00 0.00 H new ATOM 0 HE1 HIS A 42 20.849 0.627 -14.995 1.00 0.00 H new ATOM 0 HE2 HIS A 42 18.860 -0.925 -14.646 1.00 0.00 H new ATOM 643 N ARG A 43 15.969 0.200 -9.966 1.00 0.00 N ATOM 644 CA ARG A 43 14.513 0.147 -10.023 1.00 0.00 C ATOM 645 C ARG A 43 13.970 -0.919 -9.077 1.00 0.00 C ATOM 646 O ARG A 43 14.732 -1.609 -8.399 1.00 0.00 O ATOM 647 CB ARG A 43 14.048 -0.139 -11.452 1.00 0.00 C ATOM 648 CG ARG A 43 14.688 0.764 -12.494 1.00 0.00 C ATOM 649 CD ARG A 43 13.786 0.945 -13.704 1.00 0.00 C ATOM 650 NE ARG A 43 14.541 1.313 -14.899 1.00 0.00 N ATOM 651 CZ ARG A 43 15.134 0.430 -15.695 1.00 0.00 C ATOM 652 NH1 ARG A 43 15.059 -0.866 -15.425 1.00 0.00 N ATOM 653 NH2 ARG A 43 15.802 0.843 -16.764 1.00 0.00 N ATOM 0 H ARG A 43 16.419 -0.707 -9.841 1.00 0.00 H new ATOM 0 HA ARG A 43 14.127 1.117 -9.709 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.272 -1.177 -11.697 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.965 -0.026 -11.502 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.904 1.736 -12.051 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.641 0.339 -12.809 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.240 0.020 -13.891 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.045 1.716 -13.492 1.00 0.00 H new ATOM 0 HE ARG A 43 14.617 2.302 -15.135 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.545 -1.187 -14.605 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.515 -1.542 -16.038 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.861 1.839 -16.975 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.257 0.164 -17.375 1.00 0.00 H new ATOM 667 N VAL A 44 12.648 -1.048 -9.035 1.00 0.00 N ATOM 668 CA VAL A 44 12.002 -2.030 -8.172 1.00 0.00 C ATOM 669 C VAL A 44 10.611 -2.382 -8.685 1.00 0.00 C ATOM 670 O VAL A 44 9.745 -1.516 -8.810 1.00 0.00 O ATOM 671 CB VAL A 44 11.889 -1.518 -6.724 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.270 -1.298 -6.126 1.00 0.00 C ATOM 673 CG2 VAL A 44 11.068 -0.238 -6.676 1.00 0.00 C ATOM 0 H VAL A 44 12.003 -0.484 -9.589 1.00 0.00 H new ATOM 0 HA VAL A 44 12.628 -2.922 -8.186 1.00 0.00 H new ATOM 0 HB VAL A 44 11.378 -2.274 -6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.170 -0.936 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.821 -2.239 -6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.811 -0.561 -6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.998 0.111 -5.646 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.550 0.526 -7.286 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.067 -0.433 -7.062 1.00 0.00 H new ATOM 683 N LYS A 45 10.401 -3.660 -8.982 1.00 0.00 N ATOM 684 CA LYS A 45 9.114 -4.129 -9.480 1.00 0.00 C ATOM 685 C LYS A 45 8.032 -3.986 -8.414 1.00 0.00 C ATOM 686 O LYS A 45 8.131 -4.568 -7.333 1.00 0.00 O ATOM 687 CB LYS A 45 9.217 -5.590 -9.924 1.00 0.00 C ATOM 688 CG LYS A 45 8.079 -6.034 -10.827 1.00 0.00 C ATOM 689 CD LYS A 45 8.445 -7.280 -11.615 1.00 0.00 C ATOM 690 CE LYS A 45 7.736 -7.317 -12.960 1.00 0.00 C ATOM 691 NZ LYS A 45 6.298 -7.676 -12.819 1.00 0.00 N ATOM 0 H LYS A 45 11.107 -4.390 -8.886 1.00 0.00 H new ATOM 0 HA LYS A 45 8.839 -3.514 -10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.162 -5.736 -10.447 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.239 -6.229 -9.041 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.192 -6.231 -10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.825 -5.229 -11.516 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.523 -7.310 -11.770 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.181 -8.167 -11.039 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.822 -6.343 -13.443 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.229 -8.040 -13.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.747 -7.198 -13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.186 -8.706 -12.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.955 -7.375 -11.884 1.00 0.00 H new ATOM 705 N VAL A 46 6.999 -3.210 -8.726 1.00 0.00 N ATOM 706 CA VAL A 46 5.898 -2.993 -7.795 1.00 0.00 C ATOM 707 C VAL A 46 4.670 -3.802 -8.198 1.00 0.00 C ATOM 708 O VAL A 46 4.090 -3.582 -9.262 1.00 0.00 O ATOM 709 CB VAL A 46 5.514 -1.503 -7.717 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.556 -0.724 -6.928 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.347 -0.923 -9.113 1.00 0.00 C ATOM 0 H VAL A 46 6.902 -2.721 -9.616 1.00 0.00 H new ATOM 0 HA VAL A 46 6.242 -3.324 -6.815 1.00 0.00 H new ATOM 0 HB VAL A 46 4.560 -1.418 -7.196 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.268 0.326 -6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.622 -1.126 -5.917 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.526 -0.814 -7.418 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.076 0.130 -9.039 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.284 -1.019 -9.661 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.561 -1.464 -9.640 1.00 0.00 H new ATOM 721 N HIS A 47 4.279 -4.739 -7.341 1.00 0.00 N ATOM 722 CA HIS A 47 3.118 -5.582 -7.607 1.00 0.00 C ATOM 723 C HIS A 47 1.950 -5.199 -6.702 1.00 0.00 C ATOM 724 O HIS A 47 2.022 -5.348 -5.482 1.00 0.00 O ATOM 725 CB HIS A 47 3.473 -7.055 -7.405 1.00 0.00 C ATOM 726 CG HIS A 47 2.290 -7.971 -7.468 1.00 0.00 C ATOM 727 ND1 HIS A 47 1.987 -8.734 -8.576 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.333 -8.246 -6.551 1.00 0.00 C ATOM 729 CE1 HIS A 47 0.894 -9.436 -8.339 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.478 -9.159 -7.116 1.00 0.00 N ATOM 0 H HIS A 47 4.748 -4.934 -6.457 1.00 0.00 H new ATOM 0 HA HIS A 47 2.818 -5.428 -8.643 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.194 -7.354 -8.166 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.962 -7.173 -6.438 1.00 0.00 H new ATOM 0 HD1 HIS A 47 2.523 -8.753 -9.443 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.256 -7.825 -5.559 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.421 -10.120 -9.028 1.00 0.00 H new ATOM 739 N PHE A 48 0.876 -4.705 -7.308 1.00 0.00 N ATOM 740 CA PHE A 48 -0.307 -4.299 -6.557 1.00 0.00 C ATOM 741 C PHE A 48 -1.076 -5.518 -6.055 1.00 0.00 C ATOM 742 O PHE A 48 -1.759 -6.194 -6.825 1.00 0.00 O ATOM 743 CB PHE A 48 -1.217 -3.431 -7.428 1.00 0.00 C ATOM 744 CG PHE A 48 -0.711 -2.028 -7.611 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.593 -1.796 -8.018 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.539 -0.943 -7.375 1.00 0.00 C ATOM 747 CE1 PHE A 48 1.062 -0.506 -8.188 1.00 0.00 C ATOM 748 CE2 PHE A 48 -1.075 0.349 -7.543 1.00 0.00 C ATOM 749 CZ PHE A 48 0.227 0.567 -7.949 1.00 0.00 C ATOM 0 H PHE A 48 0.800 -4.576 -8.317 1.00 0.00 H new ATOM 0 HA PHE A 48 0.021 -3.718 -5.695 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.326 -3.900 -8.406 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.210 -3.395 -6.979 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.251 -2.632 -8.205 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.558 -1.108 -7.056 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.080 -0.338 -8.507 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.730 1.187 -7.357 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.591 1.575 -8.079 1.00 0.00 H new ATOM 759 N ASP A 49 -0.961 -5.790 -4.760 1.00 0.00 N ATOM 760 CA ASP A 49 -1.645 -6.926 -4.154 1.00 0.00 C ATOM 761 C ASP A 49 -3.009 -7.147 -4.801 1.00 0.00 C ATOM 762 O ASP A 49 -3.853 -6.252 -4.815 1.00 0.00 O ATOM 763 CB ASP A 49 -1.811 -6.706 -2.649 1.00 0.00 C ATOM 764 CG ASP A 49 -2.338 -7.936 -1.938 1.00 0.00 C ATOM 765 OD1 ASP A 49 -1.884 -9.052 -2.268 1.00 0.00 O ATOM 766 OD2 ASP A 49 -3.204 -7.783 -1.052 1.00 0.00 O ATOM 0 H ASP A 49 -0.401 -5.239 -4.110 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.036 -7.815 -4.318 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.850 -6.425 -2.218 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.493 -5.872 -2.480 1.00 0.00 H new ATOM 771 N GLY A 50 -3.217 -8.346 -5.337 1.00 0.00 N ATOM 772 CA GLY A 50 -4.479 -8.662 -5.980 1.00 0.00 C ATOM 773 C GLY A 50 -4.451 -8.404 -7.473 1.00 0.00 C ATOM 774 O GLY A 50 -4.602 -9.328 -8.272 1.00 0.00 O ATOM 0 H GLY A 50 -2.534 -9.104 -5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.722 -9.709 -5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.273 -8.068 -5.527 1.00 0.00 H new ATOM 778 N TRP A 51 -4.258 -7.145 -7.850 1.00 0.00 N ATOM 779 CA TRP A 51 -4.212 -6.768 -9.258 1.00 0.00 C ATOM 780 C TRP A 51 -3.525 -7.847 -10.089 1.00 0.00 C ATOM 781 O TRP A 51 -2.642 -8.551 -9.600 1.00 0.00 O ATOM 782 CB TRP A 51 -3.481 -5.435 -9.427 1.00 0.00 C ATOM 783 CG TRP A 51 -4.292 -4.254 -8.987 1.00 0.00 C ATOM 784 CD1 TRP A 51 -4.661 -3.943 -7.710 1.00 0.00 C ATOM 785 CD2 TRP A 51 -4.835 -3.228 -9.825 1.00 0.00 C ATOM 786 NE1 TRP A 51 -5.401 -2.785 -7.703 1.00 0.00 N ATOM 787 CE2 TRP A 51 -5.521 -2.326 -8.988 1.00 0.00 C ATOM 788 CE3 TRP A 51 -4.806 -2.981 -11.201 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -6.172 -1.200 -9.484 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -5.453 -1.863 -11.691 1.00 0.00 C ATOM 791 CH2 TRP A 51 -6.128 -0.983 -10.834 1.00 0.00 C ATOM 0 H TRP A 51 -4.131 -6.369 -7.201 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.237 -6.660 -9.613 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.553 -5.463 -8.856 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.207 -5.309 -10.474 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.408 -4.522 -6.834 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -5.797 -2.340 -6.875 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.287 -3.652 -11.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -6.694 -0.521 -8.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.438 -1.664 -12.752 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.623 -0.117 -11.247 1.00 0.00 H new ATOM 841 N TYR A 55 -0.512 -6.203 -14.769 1.00 0.00 N ATOM 842 CA TYR A 55 -0.469 -4.800 -14.372 1.00 0.00 C ATOM 843 C TYR A 55 0.923 -4.414 -13.883 1.00 0.00 C ATOM 844 O TYR A 55 1.444 -3.354 -14.232 1.00 0.00 O ATOM 845 CB TYR A 55 -1.500 -4.528 -13.275 1.00 0.00 C ATOM 846 CG TYR A 55 -2.923 -4.462 -13.784 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.352 -3.399 -14.569 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.838 -5.462 -13.479 1.00 0.00 C ATOM 849 CE1 TYR A 55 -4.650 -3.334 -15.036 1.00 0.00 C ATOM 850 CE2 TYR A 55 -5.138 -5.406 -13.942 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.539 -4.340 -14.720 1.00 0.00 C ATOM 852 OH TYR A 55 -6.834 -4.280 -15.182 1.00 0.00 O ATOM 0 HA TYR A 55 -0.708 -4.194 -15.246 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.429 -5.310 -12.519 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.255 -3.587 -12.783 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.658 -2.610 -14.818 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.527 -6.298 -12.869 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.967 -2.500 -15.645 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.836 -6.192 -13.696 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.329 -5.066 -14.871 1.00 0.00 H new ATOM 862 N ASP A 56 1.521 -5.283 -13.075 1.00 0.00 N ATOM 863 CA ASP A 56 2.855 -5.035 -12.539 1.00 0.00 C ATOM 864 C ASP A 56 3.735 -4.338 -13.572 1.00 0.00 C ATOM 865 O ASP A 56 3.600 -4.568 -14.774 1.00 0.00 O ATOM 866 CB ASP A 56 3.504 -6.349 -12.101 1.00 0.00 C ATOM 867 CG ASP A 56 2.547 -7.239 -11.332 1.00 0.00 C ATOM 868 OD1 ASP A 56 1.504 -6.730 -10.871 1.00 0.00 O ATOM 869 OD2 ASP A 56 2.841 -8.444 -11.193 1.00 0.00 O ATOM 0 H ASP A 56 1.104 -6.165 -12.777 1.00 0.00 H new ATOM 0 HA ASP A 56 2.756 -4.381 -11.673 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.866 -6.883 -12.980 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.373 -6.132 -11.480 1.00 0.00 H new ATOM 874 N TYR A 57 4.636 -3.486 -13.096 1.00 0.00 N ATOM 875 CA TYR A 57 5.536 -2.753 -13.978 1.00 0.00 C ATOM 876 C TYR A 57 6.794 -2.317 -13.233 1.00 0.00 C ATOM 877 O TYR A 57 6.757 -2.053 -12.031 1.00 0.00 O ATOM 878 CB TYR A 57 4.827 -1.530 -14.562 1.00 0.00 C ATOM 879 CG TYR A 57 4.071 -0.719 -13.534 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.743 -0.029 -12.533 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.683 -0.643 -13.564 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.056 0.712 -11.591 1.00 0.00 C ATOM 883 CE2 TYR A 57 1.988 0.097 -12.627 1.00 0.00 C ATOM 884 CZ TYR A 57 2.679 0.772 -11.643 1.00 0.00 C ATOM 885 OH TYR A 57 1.990 1.510 -10.707 1.00 0.00 O ATOM 0 H TYR A 57 4.762 -3.286 -12.104 1.00 0.00 H new ATOM 0 HA TYR A 57 5.829 -3.418 -14.790 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.565 -0.890 -15.046 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.133 -1.858 -15.336 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.821 -0.073 -12.490 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.139 -1.171 -14.333 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.594 1.241 -10.818 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.910 0.147 -12.665 1.00 0.00 H new ATOM 0 HH TYR A 57 1.688 0.921 -9.984 1.00 0.00 H new ATOM 895 N TRP A 58 7.906 -2.245 -13.955 1.00 0.00 N ATOM 896 CA TRP A 58 9.176 -1.841 -13.364 1.00 0.00 C ATOM 897 C TRP A 58 9.231 -0.330 -13.170 1.00 0.00 C ATOM 898 O TRP A 58 9.397 0.422 -14.131 1.00 0.00 O ATOM 899 CB TRP A 58 10.340 -2.297 -14.245 1.00 0.00 C ATOM 900 CG TRP A 58 10.778 -3.704 -13.971 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.552 -4.800 -14.754 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.515 -4.166 -12.834 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.104 -5.915 -14.172 1.00 0.00 N ATOM 904 CE2 TRP A 58 11.701 -5.553 -12.993 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.037 -3.543 -11.697 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.386 -6.324 -12.058 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.716 -4.309 -10.770 1.00 0.00 C ATOM 908 CH2 TRP A 58 12.886 -5.688 -10.955 1.00 0.00 C ATOM 0 H TRP A 58 7.954 -2.461 -14.951 1.00 0.00 H new ATOM 0 HA TRP A 58 9.261 -2.317 -12.387 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.049 -2.212 -15.292 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.185 -1.625 -14.094 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.018 -4.791 -15.693 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.074 -6.860 -14.555 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.912 -2.481 -11.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.518 -7.387 -12.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.123 -3.838 -9.888 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.422 -6.260 -10.212 1.00 0.00 H new ATOM 919 N ILE A 59 9.089 0.108 -11.924 1.00 0.00 N ATOM 920 CA ILE A 59 9.124 1.530 -11.606 1.00 0.00 C ATOM 921 C ILE A 59 10.429 1.907 -10.913 1.00 0.00 C ATOM 922 O ILE A 59 10.946 1.154 -10.088 1.00 0.00 O ATOM 923 CB ILE A 59 7.943 1.934 -10.704 1.00 0.00 C ATOM 924 CG1 ILE A 59 7.768 3.454 -10.705 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.158 1.421 -9.288 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.427 3.909 -10.174 1.00 0.00 C ATOM 0 H ILE A 59 8.949 -0.501 -11.118 1.00 0.00 H new ATOM 0 HA ILE A 59 9.049 2.066 -12.552 1.00 0.00 H new ATOM 0 HB ILE A 59 7.033 1.482 -11.099 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.559 3.903 -10.104 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.891 3.825 -11.722 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.315 1.715 -8.663 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.237 0.334 -9.303 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.076 1.846 -8.882 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.374 4.997 -10.204 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.631 3.489 -10.789 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.308 3.569 -9.145 1.00 0.00 H new ATOM 938 N ASP A 60 10.956 3.078 -11.254 1.00 0.00 N ATOM 939 CA ASP A 60 12.200 3.557 -10.663 1.00 0.00 C ATOM 940 C ASP A 60 12.048 3.751 -9.158 1.00 0.00 C ATOM 941 O ASP A 60 11.088 4.365 -8.695 1.00 0.00 O ATOM 942 CB ASP A 60 12.628 4.872 -11.318 1.00 0.00 C ATOM 943 CG ASP A 60 13.074 4.685 -12.755 1.00 0.00 C ATOM 944 OD1 ASP A 60 14.155 4.096 -12.968 1.00 0.00 O ATOM 945 OD2 ASP A 60 12.342 5.125 -13.665 1.00 0.00 O ATOM 0 H ASP A 60 10.541 3.713 -11.936 1.00 0.00 H new ATOM 0 HA ASP A 60 12.969 2.805 -10.838 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.797 5.577 -11.287 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.442 5.313 -10.743 1.00 0.00 H new ATOM 950 N ALA A 61 13.002 3.221 -8.399 1.00 0.00 N ATOM 951 CA ALA A 61 12.974 3.336 -6.946 1.00 0.00 C ATOM 952 C ALA A 61 13.132 4.787 -6.507 1.00 0.00 C ATOM 953 O ALA A 61 12.715 5.163 -5.411 1.00 0.00 O ATOM 954 CB ALA A 61 14.065 2.474 -6.327 1.00 0.00 C ATOM 0 H ALA A 61 13.803 2.708 -8.766 1.00 0.00 H new ATOM 0 HA ALA A 61 12.004 2.982 -6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.032 2.570 -5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.907 1.432 -6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.039 2.802 -6.691 1.00 0.00 H new ATOM 960 N ASP A 62 13.736 5.599 -7.368 1.00 0.00 N ATOM 961 CA ASP A 62 13.948 7.010 -7.069 1.00 0.00 C ATOM 962 C ASP A 62 12.906 7.877 -7.770 1.00 0.00 C ATOM 963 O ASP A 62 13.133 9.062 -8.014 1.00 0.00 O ATOM 964 CB ASP A 62 15.354 7.437 -7.494 1.00 0.00 C ATOM 965 CG ASP A 62 16.438 6.662 -6.770 1.00 0.00 C ATOM 966 OD1 ASP A 62 16.861 7.108 -5.684 1.00 0.00 O ATOM 967 OD2 ASP A 62 16.863 5.610 -7.291 1.00 0.00 O ATOM 0 H ASP A 62 14.087 5.304 -8.279 1.00 0.00 H new ATOM 0 HA ASP A 62 13.844 7.148 -5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.465 7.293 -8.569 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.481 8.502 -7.300 1.00 0.00 H new ATOM 972 N SER A 63 11.765 7.277 -8.092 1.00 0.00 N ATOM 973 CA SER A 63 10.690 7.993 -8.770 1.00 0.00 C ATOM 974 C SER A 63 9.884 8.827 -7.779 1.00 0.00 C ATOM 975 O SER A 63 9.621 8.413 -6.649 1.00 0.00 O ATOM 976 CB SER A 63 9.769 7.007 -9.492 1.00 0.00 C ATOM 977 OG SER A 63 8.880 7.685 -10.363 1.00 0.00 O ATOM 0 H SER A 63 11.561 6.297 -7.895 1.00 0.00 H new ATOM 0 HA SER A 63 11.138 8.664 -9.503 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.367 6.295 -10.060 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.200 6.433 -8.760 1.00 0.00 H new ATOM 0 HG SER A 63 7.963 7.597 -10.028 1.00 0.00 H new ATOM 983 N PRO A 64 9.481 10.031 -8.211 1.00 0.00 N ATOM 984 CA PRO A 64 8.698 10.949 -7.378 1.00 0.00 C ATOM 985 C PRO A 64 7.277 10.450 -7.142 1.00 0.00 C ATOM 986 O PRO A 64 6.621 10.846 -6.179 1.00 0.00 O ATOM 987 CB PRO A 64 8.681 12.243 -8.196 1.00 0.00 C ATOM 988 CG PRO A 64 8.871 11.802 -9.606 1.00 0.00 C ATOM 989 CD PRO A 64 9.758 10.589 -9.545 1.00 0.00 C ATOM 0 HA PRO A 64 9.128 11.063 -6.383 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.739 12.778 -8.072 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.476 12.920 -7.882 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.915 11.563 -10.072 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.329 12.591 -10.203 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.520 9.877 -10.336 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.809 10.854 -9.660 1.00 0.00 H new ATOM 997 N ASP A 65 6.807 9.577 -8.027 1.00 0.00 N ATOM 998 CA ASP A 65 5.463 9.022 -7.914 1.00 0.00 C ATOM 999 C ASP A 65 5.388 8.008 -6.778 1.00 0.00 C ATOM 1000 O ASP A 65 4.354 7.869 -6.124 1.00 0.00 O ATOM 1001 CB ASP A 65 5.048 8.364 -9.231 1.00 0.00 C ATOM 1002 CG ASP A 65 5.607 9.086 -10.441 1.00 0.00 C ATOM 1003 OD1 ASP A 65 5.201 10.242 -10.683 1.00 0.00 O ATOM 1004 OD2 ASP A 65 6.452 8.495 -11.146 1.00 0.00 O ATOM 0 H ASP A 65 7.337 9.239 -8.830 1.00 0.00 H new ATOM 0 HA ASP A 65 4.776 9.839 -7.693 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.389 7.329 -9.240 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.960 8.342 -9.296 1.00 0.00 H new ATOM 1009 N ILE A 66 6.490 7.300 -6.550 1.00 0.00 N ATOM 1010 CA ILE A 66 6.548 6.298 -5.493 1.00 0.00 C ATOM 1011 C ILE A 66 6.439 6.945 -4.116 1.00 0.00 C ATOM 1012 O ILE A 66 7.176 7.878 -3.796 1.00 0.00 O ATOM 1013 CB ILE A 66 7.852 5.482 -5.562 1.00 0.00 C ATOM 1014 CG1 ILE A 66 7.850 4.581 -6.799 1.00 0.00 C ATOM 1015 CG2 ILE A 66 8.027 4.655 -4.297 1.00 0.00 C ATOM 1016 CD1 ILE A 66 9.144 3.822 -6.996 1.00 0.00 C ATOM 0 H ILE A 66 7.354 7.402 -7.083 1.00 0.00 H new ATOM 0 HA ILE A 66 5.701 5.629 -5.646 1.00 0.00 H new ATOM 0 HB ILE A 66 8.692 6.172 -5.640 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.029 3.869 -6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.658 5.190 -7.682 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.953 4.084 -4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.068 5.317 -3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.185 3.971 -4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.071 3.204 -7.891 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.967 4.528 -7.109 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.328 3.186 -6.130 1.00 0.00 H new ATOM 1028 N HIS A 67 5.515 6.441 -3.303 1.00 0.00 N ATOM 1029 CA HIS A 67 5.310 6.968 -1.959 1.00 0.00 C ATOM 1030 C HIS A 67 5.328 5.845 -0.927 1.00 0.00 C ATOM 1031 O HIS A 67 4.852 4.736 -1.172 1.00 0.00 O ATOM 1032 CB HIS A 67 3.985 7.727 -1.882 1.00 0.00 C ATOM 1033 CG HIS A 67 3.925 8.922 -2.783 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.740 10.023 -2.628 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.143 9.183 -3.856 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.460 10.911 -3.565 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.494 10.425 -4.324 1.00 0.00 N ATOM 0 H HIS A 67 4.897 5.669 -3.552 1.00 0.00 H new ATOM 0 HA HIS A 67 6.126 7.655 -1.736 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.172 7.048 -2.138 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.820 8.049 -0.854 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.384 8.535 -4.268 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.939 11.871 -3.689 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.077 10.896 -5.127 1.00 0.00 H new ATOM 1046 N PRO A 68 5.890 6.136 0.256 1.00 0.00 N ATOM 1047 CA PRO A 68 5.983 5.164 1.349 1.00 0.00 C ATOM 1048 C PRO A 68 4.624 4.849 1.962 1.00 0.00 C ATOM 1049 O PRO A 68 3.662 5.597 1.784 1.00 0.00 O ATOM 1050 CB PRO A 68 6.882 5.864 2.371 1.00 0.00 C ATOM 1051 CG PRO A 68 6.704 7.318 2.099 1.00 0.00 C ATOM 1052 CD PRO A 68 6.478 7.437 0.617 1.00 0.00 C ATOM 0 HA PRO A 68 6.370 4.204 1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.591 5.614 3.391 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.923 5.564 2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.857 7.719 2.656 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.584 7.883 2.406 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.807 8.262 0.378 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.410 7.619 0.082 1.00 0.00 H new ATOM 1060 N VAL A 69 4.549 3.736 2.687 1.00 0.00 N ATOM 1061 CA VAL A 69 3.307 3.323 3.328 1.00 0.00 C ATOM 1062 C VAL A 69 2.883 4.322 4.399 1.00 0.00 C ATOM 1063 O VAL A 69 3.286 4.216 5.556 1.00 0.00 O ATOM 1064 CB VAL A 69 3.442 1.929 3.968 1.00 0.00 C ATOM 1065 CG1 VAL A 69 2.326 1.692 4.974 1.00 0.00 C ATOM 1066 CG2 VAL A 69 3.442 0.849 2.895 1.00 0.00 C ATOM 0 H VAL A 69 5.335 3.105 2.844 1.00 0.00 H new ATOM 0 HA VAL A 69 2.546 3.285 2.548 1.00 0.00 H new ATOM 0 HB VAL A 69 4.393 1.883 4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.438 0.702 5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.377 2.447 5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.362 1.757 4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.538 -0.130 3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.508 0.893 2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.280 1.010 2.217 1.00 0.00 H new ATOM 1076 N GLY A 70 2.065 5.293 4.004 1.00 0.00 N ATOM 1077 CA GLY A 70 1.599 6.298 4.942 1.00 0.00 C ATOM 1078 C GLY A 70 1.737 7.706 4.399 1.00 0.00 C ATOM 1079 O GLY A 70 1.816 8.668 5.164 1.00 0.00 O ATOM 0 H GLY A 70 1.717 5.402 3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.554 6.107 5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.163 6.213 5.871 1.00 0.00 H new ATOM 1083 N TRP A 71 1.767 7.829 3.077 1.00 0.00 N ATOM 1084 CA TRP A 71 1.899 9.131 2.433 1.00 0.00 C ATOM 1085 C TRP A 71 0.541 9.811 2.298 1.00 0.00 C ATOM 1086 O TRP A 71 0.459 10.992 1.958 1.00 0.00 O ATOM 1087 CB TRP A 71 2.545 8.978 1.056 1.00 0.00 C ATOM 1088 CG TRP A 71 2.285 10.140 0.145 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.175 11.110 -0.221 1.00 0.00 C ATOM 1090 CD2 TRP A 71 1.053 10.455 -0.512 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.569 12.008 -1.066 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.268 11.628 -1.261 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.211 9.858 -0.543 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.266 12.215 -2.029 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.204 10.442 -1.305 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -0.962 11.610 -2.041 1.00 0.00 C ATOM 0 H TRP A 71 1.702 7.043 2.430 1.00 0.00 H new ATOM 0 HA TRP A 71 2.537 9.755 3.059 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.621 8.856 1.179 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.172 8.067 0.587 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.203 11.163 0.106 1.00 0.00 H new ATOM 0 HE1 TRP A 71 3.016 12.826 -1.481 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.407 8.957 0.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.451 13.116 -2.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.185 9.990 -1.334 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.759 12.041 -2.629 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.521 9.060 2.568 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.877 9.592 2.475 1.00 0.00 C ATOM 1109 C CYS A 72 -2.207 10.452 3.691 1.00 0.00 C ATOM 1110 O CYS A 72 -3.068 11.329 3.627 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.887 8.450 2.353 1.00 0.00 C ATOM 1112 SG CYS A 72 -2.846 7.278 3.729 1.00 0.00 S ATOM 0 H CYS A 72 -0.470 8.082 2.853 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.937 10.217 1.584 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.889 8.872 2.279 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.699 7.911 1.425 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.737 6.351 3.536 1.00 0.00 H new ATOM 1118 N SER A 73 -1.517 10.193 4.797 1.00 0.00 N ATOM 1119 CA SER A 73 -1.741 10.940 6.030 1.00 0.00 C ATOM 1120 C SER A 73 -0.895 12.210 6.057 1.00 0.00 C ATOM 1121 O SER A 73 -1.417 13.315 6.201 1.00 0.00 O ATOM 1122 CB SER A 73 -1.415 10.070 7.245 1.00 0.00 C ATOM 1123 OG SER A 73 -2.013 10.590 8.420 1.00 0.00 O ATOM 0 H SER A 73 -0.799 9.472 4.865 1.00 0.00 H new ATOM 0 HA SER A 73 -2.793 11.224 6.068 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.768 9.053 7.073 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.334 10.015 7.377 1.00 0.00 H new ATOM 0 HG SER A 73 -1.791 10.015 9.182 1.00 0.00 H new ATOM 1129 N LYS A 74 0.416 12.042 5.918 1.00 0.00 N ATOM 1130 CA LYS A 74 1.337 13.172 5.925 1.00 0.00 C ATOM 1131 C LYS A 74 0.699 14.399 5.281 1.00 0.00 C ATOM 1132 O LYS A 74 0.907 15.527 5.727 1.00 0.00 O ATOM 1133 CB LYS A 74 2.628 12.809 5.187 1.00 0.00 C ATOM 1134 CG LYS A 74 2.462 12.719 3.680 1.00 0.00 C ATOM 1135 CD LYS A 74 3.660 12.051 3.026 1.00 0.00 C ATOM 1136 CE LYS A 74 4.772 13.050 2.746 1.00 0.00 C ATOM 1137 NZ LYS A 74 5.994 12.385 2.216 1.00 0.00 N ATOM 0 H LYS A 74 0.864 11.134 5.799 1.00 0.00 H new ATOM 0 HA LYS A 74 1.573 13.409 6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.390 13.554 5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.994 11.853 5.562 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.558 12.157 3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.332 13.719 3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.035 11.260 3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.350 11.579 2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.422 13.792 2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.019 13.585 3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.728 13.099 2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.343 11.695 2.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.765 11.895 1.328 1.00 0.00 H new ATOM 1151 N THR A 75 -0.082 14.170 4.229 1.00 0.00 N ATOM 1152 CA THR A 75 -0.751 15.256 3.524 1.00 0.00 C ATOM 1153 C THR A 75 -2.264 15.173 3.694 1.00 0.00 C ATOM 1154 O THR A 75 -2.926 16.178 3.947 1.00 0.00 O ATOM 1155 CB THR A 75 -0.414 15.242 2.021 1.00 0.00 C ATOM 1156 OG1 THR A 75 -1.524 15.738 1.265 1.00 0.00 O ATOM 1157 CG2 THR A 75 -0.066 13.836 1.558 1.00 0.00 C ATOM 0 H THR A 75 -0.266 13.242 3.847 1.00 0.00 H new ATOM 0 HA THR A 75 -0.389 16.186 3.962 1.00 0.00 H new ATOM 0 HB THR A 75 0.451 15.885 1.859 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.810 15.058 0.620 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.168 13.851 0.494 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.798 13.473 2.115 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.915 13.175 1.733 1.00 0.00 H new ATOM 1165 N GLY A 76 -2.805 13.966 3.555 1.00 0.00 N ATOM 1166 CA GLY A 76 -4.236 13.774 3.698 1.00 0.00 C ATOM 1167 C GLY A 76 -4.913 13.458 2.379 1.00 0.00 C ATOM 1168 O GLY A 76 -6.033 13.903 2.125 1.00 0.00 O ATOM 0 H GLY A 76 -2.278 13.118 3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.422 12.963 4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.679 14.674 4.124 1.00 0.00 H new ATOM 1172 N HIS A 77 -4.232 12.689 1.535 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.775 12.315 0.234 1.00 0.00 C ATOM 1174 C HIS A 77 -5.535 10.995 0.322 1.00 0.00 C ATOM 1175 O HIS A 77 -5.265 10.151 1.176 1.00 0.00 O ATOM 1176 CB HIS A 77 -3.651 12.202 -0.797 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.373 13.482 -1.522 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -2.944 14.629 -0.887 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -3.462 13.793 -2.836 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -2.784 15.590 -1.779 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -3.091 15.109 -2.970 1.00 0.00 N ATOM 0 H HIS A 77 -3.304 12.313 1.729 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.470 13.094 -0.080 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.741 11.873 -0.296 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -3.911 11.432 -1.523 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.768 13.130 -3.632 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -2.458 16.598 -1.570 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -3.058 15.630 -3.846 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.510 10.812 -0.581 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.329 9.597 -0.626 1.00 0.00 C ATOM 1192 C PRO A 78 -6.537 8.380 -1.090 1.00 0.00 C ATOM 1193 O PRO A 78 -5.599 8.501 -1.879 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.421 9.943 -1.642 1.00 0.00 C ATOM 1195 CG PRO A 78 -7.811 10.986 -2.513 1.00 0.00 C ATOM 1196 CD PRO A 78 -6.887 11.776 -1.628 1.00 0.00 C ATOM 0 HA PRO A 78 -7.712 9.328 0.358 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.716 9.067 -2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.318 10.315 -1.148 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.266 10.533 -3.341 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.577 11.627 -2.949 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.016 12.135 -2.176 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.383 12.651 -1.209 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.919 7.208 -0.596 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.244 5.967 -0.960 1.00 0.00 C ATOM 1206 C LEU A 79 -7.255 4.880 -1.310 1.00 0.00 C ATOM 1207 O LEU A 79 -8.257 4.705 -0.618 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.347 5.495 0.186 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.395 4.344 -0.137 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.208 4.843 -0.945 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.925 3.666 1.142 1.00 0.00 C ATOM 0 H LEU A 79 -7.693 7.091 0.058 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.628 6.162 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.756 6.343 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.983 5.191 1.017 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.933 3.610 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.541 4.009 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.562 5.281 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.669 5.597 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.248 2.849 0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.404 4.391 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.786 3.272 1.682 1.00 0.00 H new ATOM 1223 N GLN A 80 -6.983 4.151 -2.388 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.868 3.080 -2.829 1.00 0.00 C ATOM 1225 C GLN A 80 -7.289 1.714 -2.475 1.00 0.00 C ATOM 1226 O GLN A 80 -6.139 1.401 -2.786 1.00 0.00 O ATOM 1227 CB GLN A 80 -8.104 3.172 -4.337 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.850 4.426 -4.761 1.00 0.00 C ATOM 1229 CD GLN A 80 -10.341 4.335 -4.501 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -10.942 3.270 -4.642 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -10.945 5.454 -4.120 1.00 0.00 N ATOM 0 H GLN A 80 -6.157 4.283 -2.972 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.821 3.195 -2.312 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.142 3.141 -4.849 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.667 2.297 -4.662 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.444 5.284 -4.226 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.681 4.603 -5.823 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.407 6.314 -4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.947 5.454 -3.931 1.00 0.00 H new ATOM 1240 N PRO A 81 -8.101 0.880 -1.809 1.00 0.00 N ATOM 1241 CA PRO A 81 -7.690 -0.466 -1.399 1.00 0.00 C ATOM 1242 C PRO A 81 -7.532 -1.411 -2.585 1.00 0.00 C ATOM 1243 O PRO A 81 -8.131 -1.222 -3.644 1.00 0.00 O ATOM 1244 CB PRO A 81 -8.838 -0.927 -0.497 1.00 0.00 C ATOM 1245 CG PRO A 81 -10.019 -0.145 -0.956 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.484 1.187 -1.406 1.00 0.00 C ATOM 0 HA PRO A 81 -6.717 -0.463 -0.907 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.011 -1.999 -0.594 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.619 -0.733 0.553 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.532 -0.655 -1.771 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.743 -0.023 -0.151 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.063 1.594 -2.235 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.515 1.924 -0.604 1.00 0.00 H new ATOM 1254 N PRO A 82 -6.707 -2.453 -2.407 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.451 -3.448 -3.452 1.00 0.00 C ATOM 1256 C PRO A 82 -7.666 -4.330 -3.721 1.00 0.00 C ATOM 1257 O PRO A 82 -8.726 -4.144 -3.123 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.303 -4.281 -2.876 1.00 0.00 C ATOM 1259 CG PRO A 82 -5.428 -4.127 -1.399 1.00 0.00 C ATOM 1260 CD PRO A 82 -5.960 -2.740 -1.171 1.00 0.00 C ATOM 0 HA PRO A 82 -6.219 -2.983 -4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.384 -5.326 -3.173 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.337 -3.923 -3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.102 -4.877 -0.984 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.463 -4.260 -0.910 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.604 -2.696 -0.293 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.155 -2.022 -1.012 1.00 0.00 H new