USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 621 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 18 GLN : amide:sc= -3.99! C(o=-4.6!,f=-4.4!) USER MOD Set 1.2: A 20 THR OG1 : rot 180:sc= -0.56 USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= -0.0634 (180deg=-0.361) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -150:sc= -0.682 USER MOD Single : A 36 SER OG : rot 42:sc= 0.0822 USER MOD Single : A 41 GLN : amide:sc= -0.619 K(o=-0.62,f=-3.7!) USER MOD Single : A 45 SER OG : rot 33:sc= 0.532 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.275 K(o=-0.28,f=-4!) USER MOD Single : A 64 ASN : amide:sc= -0.25 X(o=-0.25,f=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.352 F(o=-1,f=-0.35) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.564 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot -97:sc= 1.07 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 143 N GLY A 14 10.041 -1.838 10.678 1.00 0.00 N ATOM 144 CA GLY A 14 9.044 -1.198 9.840 1.00 0.00 C ATOM 145 C GLY A 14 7.724 -0.999 10.559 1.00 0.00 C ATOM 146 O GLY A 14 7.483 -1.600 11.605 1.00 0.00 O ATOM 0 HA2 GLY A 14 9.421 -0.232 9.505 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.881 -1.803 8.948 1.00 0.00 H new ATOM 150 N GLU A 15 6.868 -0.152 9.997 1.00 0.00 N ATOM 151 CA GLU A 15 5.566 0.126 10.593 1.00 0.00 C ATOM 152 C GLU A 15 4.495 0.272 9.516 1.00 0.00 C ATOM 153 O GLU A 15 4.790 0.617 8.372 1.00 0.00 O ATOM 154 CB GLU A 15 5.630 1.398 11.441 1.00 0.00 C ATOM 155 CG GLU A 15 6.024 2.636 10.652 1.00 0.00 C ATOM 156 CD GLU A 15 5.697 3.923 11.385 1.00 0.00 C ATOM 157 OE1 GLU A 15 4.807 3.899 12.259 1.00 0.00 O ATOM 158 OE2 GLU A 15 6.333 4.955 11.083 1.00 0.00 O ATOM 0 H GLU A 15 7.052 0.354 9.130 1.00 0.00 H new ATOM 0 HA GLU A 15 5.300 -0.715 11.233 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.657 1.566 11.903 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.346 1.250 12.250 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.093 2.603 10.442 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.510 2.629 9.691 1.00 0.00 H new ATOM 165 N LYS A 16 3.248 0.007 9.891 1.00 0.00 N ATOM 166 CA LYS A 16 2.130 0.109 8.960 1.00 0.00 C ATOM 167 C LYS A 16 1.708 1.563 8.774 1.00 0.00 C ATOM 168 O LYS A 16 1.351 2.245 9.736 1.00 0.00 O ATOM 169 CB LYS A 16 0.944 -0.717 9.463 1.00 0.00 C ATOM 170 CG LYS A 16 0.978 -2.167 9.012 1.00 0.00 C ATOM 171 CD LYS A 16 -0.363 -2.848 9.224 1.00 0.00 C ATOM 172 CE LYS A 16 -0.453 -3.487 10.601 1.00 0.00 C ATOM 173 NZ LYS A 16 0.479 -4.640 10.739 1.00 0.00 N ATOM 0 H LYS A 16 2.986 -0.280 10.834 1.00 0.00 H new ATOM 0 HA LYS A 16 2.455 -0.283 7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.925 -0.684 10.552 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.019 -0.258 9.114 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.249 -2.215 7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.750 -2.703 9.564 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.165 -2.119 9.107 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.510 -3.609 8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.224 -2.742 11.363 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.475 -3.822 10.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.139 -5.273 11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.522 -5.161 9.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.428 -4.292 10.983 1.00 0.00 H new ATOM 187 N LEU A 17 1.750 2.032 7.532 1.00 0.00 N ATOM 188 CA LEU A 17 1.370 3.405 7.219 1.00 0.00 C ATOM 189 C LEU A 17 0.354 3.444 6.082 1.00 0.00 C ATOM 190 O LEU A 17 0.477 2.708 5.103 1.00 0.00 O ATOM 191 CB LEU A 17 2.606 4.224 6.842 1.00 0.00 C ATOM 192 CG LEU A 17 3.750 4.218 7.856 1.00 0.00 C ATOM 193 CD1 LEU A 17 5.068 4.554 7.176 1.00 0.00 C ATOM 194 CD2 LEU A 17 3.466 5.198 8.985 1.00 0.00 C ATOM 0 H LEU A 17 2.043 1.482 6.725 1.00 0.00 H new ATOM 0 HA LEU A 17 0.910 3.840 8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.988 3.852 5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.297 5.257 6.679 1.00 0.00 H new ATOM 0 HG LEU A 17 3.829 3.217 8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.871 4.545 7.913 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.277 3.815 6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.002 5.543 6.724 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.291 5.181 9.698 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.360 6.203 8.576 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.543 4.913 9.491 1.00 0.00 H new ATOM 206 N GLN A 18 -0.647 4.307 6.219 1.00 0.00 N ATOM 207 CA GLN A 18 -1.683 4.442 5.202 1.00 0.00 C ATOM 208 C GLN A 18 -1.343 5.561 4.223 1.00 0.00 C ATOM 209 O GLN A 18 -0.726 6.559 4.597 1.00 0.00 O ATOM 210 CB GLN A 18 -3.038 4.716 5.857 1.00 0.00 C ATOM 211 CG GLN A 18 -4.157 4.967 4.859 1.00 0.00 C ATOM 212 CD GLN A 18 -5.283 5.798 5.442 1.00 0.00 C ATOM 213 OE1 GLN A 18 -5.472 6.957 5.070 1.00 0.00 O ATOM 214 NE2 GLN A 18 -6.039 5.210 6.362 1.00 0.00 N ATOM 0 H GLN A 18 -0.763 4.923 7.024 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.738 3.504 4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.307 3.867 6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.947 5.582 6.513 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.751 5.475 3.984 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.555 4.012 4.517 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.847 4.248 6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.811 5.721 6.790 1.00 0.00 H new ATOM 223 N ILE A 19 -1.749 5.388 2.970 1.00 0.00 N ATOM 224 CA ILE A 19 -1.488 6.384 1.939 1.00 0.00 C ATOM 225 C ILE A 19 -2.756 6.715 1.159 1.00 0.00 C ATOM 226 O ILE A 19 -3.262 5.891 0.396 1.00 0.00 O ATOM 227 CB ILE A 19 -0.404 5.905 0.955 1.00 0.00 C ATOM 228 CG1 ILE A 19 0.870 5.524 1.711 1.00 0.00 C ATOM 229 CG2 ILE A 19 -0.112 6.983 -0.078 1.00 0.00 C ATOM 230 CD1 ILE A 19 1.650 6.717 2.219 1.00 0.00 C ATOM 0 H ILE A 19 -2.260 4.567 2.644 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.134 7.280 2.449 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.772 5.021 0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.605 4.887 2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.510 4.934 1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.656 6.629 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.021 7.209 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.239 7.884 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.540 6.372 2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.945 7.344 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.027 7.295 2.901 1.00 0.00 H new ATOM 242 N THR A 20 -3.265 7.927 1.355 1.00 0.00 N ATOM 243 CA THR A 20 -4.474 8.368 0.670 1.00 0.00 C ATOM 244 C THR A 20 -4.152 8.919 -0.714 1.00 0.00 C ATOM 245 O THR A 20 -3.687 10.051 -0.849 1.00 0.00 O ATOM 246 CB THR A 20 -5.217 9.447 1.480 1.00 0.00 C ATOM 247 OG1 THR A 20 -5.578 8.932 2.767 1.00 0.00 O ATOM 248 CG2 THR A 20 -6.465 9.912 0.746 1.00 0.00 C ATOM 0 H THR A 20 -2.859 8.621 1.983 1.00 0.00 H new ATOM 0 HA THR A 20 -5.117 7.493 0.569 1.00 0.00 H new ATOM 0 HB THR A 20 -4.550 10.300 1.604 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.048 9.625 3.276 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.973 10.674 1.338 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.184 10.331 -0.220 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.134 9.065 0.594 1.00 0.00 H new ATOM 256 N ILE A 21 -4.403 8.112 -1.740 1.00 0.00 N ATOM 257 CA ILE A 21 -4.141 8.521 -3.114 1.00 0.00 C ATOM 258 C ILE A 21 -5.361 9.202 -3.727 1.00 0.00 C ATOM 259 O ILE A 21 -6.499 8.816 -3.460 1.00 0.00 O ATOM 260 CB ILE A 21 -3.742 7.321 -3.992 1.00 0.00 C ATOM 261 CG1 ILE A 21 -2.524 6.610 -3.399 1.00 0.00 C ATOM 262 CG2 ILE A 21 -3.454 7.778 -5.415 1.00 0.00 C ATOM 263 CD1 ILE A 21 -2.241 5.266 -4.031 1.00 0.00 C ATOM 0 H ILE A 21 -4.787 7.172 -1.645 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.312 9.228 -3.080 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.574 6.617 -4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.648 7.249 -3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.679 6.474 -2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.173 6.918 -6.023 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.345 8.244 -5.835 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.637 8.499 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.364 4.820 -3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.100 4.610 -3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.054 5.397 -5.097 1.00 0.00 H new ATOM 275 N ARG A 22 -5.114 10.214 -4.552 1.00 0.00 N ATOM 276 CA ARG A 22 -6.192 10.948 -5.204 1.00 0.00 C ATOM 277 C ARG A 22 -6.100 10.815 -6.721 1.00 0.00 C ATOM 278 O ARG A 22 -5.170 11.328 -7.343 1.00 0.00 O ATOM 279 CB ARG A 22 -6.146 12.425 -4.806 1.00 0.00 C ATOM 280 CG ARG A 22 -7.488 13.129 -4.920 1.00 0.00 C ATOM 281 CD ARG A 22 -7.321 14.638 -4.991 1.00 0.00 C ATOM 282 NE ARG A 22 -8.582 15.315 -5.285 1.00 0.00 N ATOM 283 CZ ARG A 22 -8.666 16.595 -5.629 1.00 0.00 C ATOM 284 NH1 ARG A 22 -7.568 17.334 -5.720 1.00 0.00 N ATOM 285 NH2 ARG A 22 -9.849 17.140 -5.881 1.00 0.00 N ATOM 0 H ARG A 22 -4.177 10.544 -4.785 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.139 10.520 -4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.790 12.505 -3.779 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.421 12.940 -5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.010 12.777 -5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.110 12.871 -4.063 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.925 15.004 -4.044 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.589 14.886 -5.759 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.445 14.775 -5.223 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.657 16.919 -5.526 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.635 18.317 -5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.696 16.576 -5.811 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.912 18.123 -6.145 1.00 0.00 H new ATOM 299 N ARG A 23 -7.071 10.124 -7.309 1.00 0.00 N ATOM 300 CA ARG A 23 -7.099 9.923 -8.753 1.00 0.00 C ATOM 301 C ARG A 23 -6.713 11.203 -9.488 1.00 0.00 C ATOM 302 O ARG A 23 -7.412 12.212 -9.408 1.00 0.00 O ATOM 303 CB ARG A 23 -8.489 9.465 -9.199 1.00 0.00 C ATOM 304 CG ARG A 23 -8.476 8.627 -10.467 1.00 0.00 C ATOM 305 CD ARG A 23 -9.886 8.349 -10.964 1.00 0.00 C ATOM 306 NE ARG A 23 -10.328 9.340 -11.941 1.00 0.00 N ATOM 307 CZ ARG A 23 -10.058 9.263 -13.240 1.00 0.00 C ATOM 308 NH1 ARG A 23 -9.353 8.246 -13.715 1.00 0.00 N ATOM 309 NH2 ARG A 23 -10.495 10.205 -14.066 1.00 0.00 N ATOM 0 H ARG A 23 -7.849 9.694 -6.808 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.372 9.149 -9.001 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.947 8.887 -8.396 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.117 10.341 -9.359 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.911 9.146 -11.242 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.963 7.684 -10.276 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.923 7.356 -11.413 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.574 8.342 -10.118 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.874 10.135 -11.608 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.016 7.520 -13.083 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.147 8.190 -14.712 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.038 10.989 -13.704 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.288 10.145 -15.063 1.00 0.00 H new ATOM 371 N PHE A 28 -5.195 6.121 -11.179 1.00 0.00 N ATOM 372 CA PHE A 28 -4.113 5.920 -10.222 1.00 0.00 C ATOM 373 C PHE A 28 -2.790 5.669 -10.941 1.00 0.00 C ATOM 374 O PHE A 28 -2.454 4.531 -11.267 1.00 0.00 O ATOM 375 CB PHE A 28 -4.433 4.745 -9.296 1.00 0.00 C ATOM 376 CG PHE A 28 -5.732 4.902 -8.557 1.00 0.00 C ATOM 377 CD1 PHE A 28 -6.041 6.091 -7.917 1.00 0.00 C ATOM 378 CD2 PHE A 28 -6.643 3.859 -8.503 1.00 0.00 C ATOM 379 CE1 PHE A 28 -7.235 6.237 -7.236 1.00 0.00 C ATOM 380 CE2 PHE A 28 -7.838 4.000 -7.823 1.00 0.00 C ATOM 381 CZ PHE A 28 -8.135 5.191 -7.190 1.00 0.00 C ATOM 0 HA PHE A 28 -4.017 6.827 -9.626 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.467 3.828 -9.884 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.625 4.631 -8.574 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.341 6.913 -7.950 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.417 2.926 -8.998 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.464 7.169 -6.740 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.539 3.179 -7.787 1.00 0.00 H new ATOM 0 HZ PHE A 28 -9.069 5.304 -6.660 1.00 0.00 H new ATOM 391 N GLY A 29 -2.044 6.742 -11.187 1.00 0.00 N ATOM 392 CA GLY A 29 -0.768 6.618 -11.866 1.00 0.00 C ATOM 393 C GLY A 29 0.013 5.399 -11.416 1.00 0.00 C ATOM 394 O GLY A 29 0.865 4.894 -12.147 1.00 0.00 O ATOM 0 H GLY A 29 -2.301 7.695 -10.928 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.936 6.561 -12.941 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.174 7.514 -11.683 1.00 0.00 H new ATOM 398 N PHE A 30 -0.277 4.925 -10.209 1.00 0.00 N ATOM 399 CA PHE A 30 0.406 3.760 -9.661 1.00 0.00 C ATOM 400 C PHE A 30 -0.342 2.477 -10.011 1.00 0.00 C ATOM 401 O PHE A 30 -1.569 2.469 -10.122 1.00 0.00 O ATOM 402 CB PHE A 30 0.538 3.887 -8.142 1.00 0.00 C ATOM 403 CG PHE A 30 -0.682 3.433 -7.393 1.00 0.00 C ATOM 404 CD1 PHE A 30 -1.741 4.300 -7.178 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.770 2.140 -6.905 1.00 0.00 C ATOM 406 CE1 PHE A 30 -2.865 3.885 -6.489 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.892 1.719 -6.215 1.00 0.00 C ATOM 408 CZ PHE A 30 -2.941 2.593 -6.008 1.00 0.00 C ATOM 0 H PHE A 30 -0.981 5.330 -9.592 1.00 0.00 H new ATOM 0 HA PHE A 30 1.401 3.713 -10.103 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.396 3.303 -7.810 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.743 4.927 -7.889 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.688 5.311 -7.553 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.047 1.452 -7.065 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.683 4.571 -6.327 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.948 0.708 -5.839 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.819 2.267 -5.471 1.00 0.00 H new ATOM 418 N THR A 31 0.406 1.391 -10.185 1.00 0.00 N ATOM 419 CA THR A 31 -0.184 0.103 -10.525 1.00 0.00 C ATOM 420 C THR A 31 0.282 -0.986 -9.565 1.00 0.00 C ATOM 421 O THR A 31 1.431 -0.984 -9.121 1.00 0.00 O ATOM 422 CB THR A 31 0.168 -0.314 -11.965 1.00 0.00 C ATOM 423 OG1 THR A 31 0.102 0.822 -12.834 1.00 0.00 O ATOM 424 CG2 THR A 31 -0.780 -1.395 -12.463 1.00 0.00 C ATOM 0 H THR A 31 1.422 1.379 -10.096 1.00 0.00 H new ATOM 0 HA THR A 31 -1.265 0.219 -10.442 1.00 0.00 H new ATOM 0 HB THR A 31 1.182 -0.714 -11.966 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.329 0.549 -13.747 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.511 -1.673 -13.482 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.706 -2.270 -11.817 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.802 -1.018 -12.447 1.00 0.00 H new ATOM 432 N ILE A 32 -0.615 -1.913 -9.249 1.00 0.00 N ATOM 433 CA ILE A 32 -0.294 -3.009 -8.342 1.00 0.00 C ATOM 434 C ILE A 32 -0.860 -4.329 -8.854 1.00 0.00 C ATOM 435 O ILE A 32 -2.033 -4.414 -9.217 1.00 0.00 O ATOM 436 CB ILE A 32 -0.837 -2.745 -6.925 1.00 0.00 C ATOM 437 CG1 ILE A 32 -2.322 -2.381 -6.985 1.00 0.00 C ATOM 438 CG2 ILE A 32 -0.042 -1.637 -6.251 1.00 0.00 C ATOM 439 CD1 ILE A 32 -3.100 -2.814 -5.762 1.00 0.00 C ATOM 0 H ILE A 32 -1.570 -1.928 -9.607 1.00 0.00 H new ATOM 0 HA ILE A 32 0.793 -3.075 -8.299 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.728 -3.655 -6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.419 -1.302 -7.104 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.765 -2.840 -7.869 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.438 -1.462 -5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.005 -1.932 -6.181 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.123 -0.722 -6.838 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.145 -2.523 -5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.034 -3.897 -5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.683 -2.334 -4.877 1.00 0.00 H new ATOM 451 N CYS A 33 -0.018 -5.357 -8.877 1.00 0.00 N ATOM 452 CA CYS A 33 -0.435 -6.675 -9.343 1.00 0.00 C ATOM 453 C CYS A 33 0.380 -7.773 -8.666 1.00 0.00 C ATOM 454 O CYS A 33 1.608 -7.793 -8.757 1.00 0.00 O ATOM 455 CB CYS A 33 -0.284 -6.774 -10.861 1.00 0.00 C ATOM 456 SG CYS A 33 -1.111 -8.204 -11.594 1.00 0.00 S ATOM 0 H CYS A 33 0.956 -5.303 -8.579 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.484 -6.811 -9.081 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.681 -5.866 -11.315 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.777 -6.816 -11.108 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.928 -8.199 -12.881 1.00 0.00 H new ATOM 462 N CYS A 34 -0.311 -8.683 -7.988 1.00 0.00 N ATOM 463 CA CYS A 34 0.348 -9.783 -7.294 1.00 0.00 C ATOM 464 C CYS A 34 -0.676 -10.718 -6.660 1.00 0.00 C ATOM 465 O CYS A 34 -1.801 -10.314 -6.364 1.00 0.00 O ATOM 466 CB CYS A 34 1.295 -9.242 -6.221 1.00 0.00 C ATOM 467 SG CYS A 34 2.695 -10.327 -5.857 1.00 0.00 S ATOM 0 H CYS A 34 -1.328 -8.680 -7.904 1.00 0.00 H new ATOM 0 HA CYS A 34 0.924 -10.348 -8.026 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.675 -8.272 -6.542 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.730 -9.075 -5.304 1.00 0.00 H new ATOM 0 HG CYS A 34 3.054 -10.171 -4.617 1.00 0.00 H new ATOM 473 N ASP A 35 -0.281 -11.970 -6.458 1.00 0.00 N ATOM 474 CA ASP A 35 -1.165 -12.964 -5.860 1.00 0.00 C ATOM 475 C ASP A 35 -1.074 -12.926 -4.338 1.00 0.00 C ATOM 476 O ASP A 35 0.018 -12.952 -3.770 1.00 0.00 O ATOM 477 CB ASP A 35 -0.814 -14.362 -6.370 1.00 0.00 C ATOM 478 CG ASP A 35 0.659 -14.505 -6.701 1.00 0.00 C ATOM 479 OD1 ASP A 35 1.438 -14.866 -5.794 1.00 0.00 O ATOM 480 OD2 ASP A 35 1.031 -14.257 -7.867 1.00 0.00 O ATOM 0 H ASP A 35 0.646 -12.321 -6.700 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.188 -12.726 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.087 -15.100 -5.616 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.406 -14.581 -7.259 1.00 0.00 H new ATOM 485 N SER A 36 -2.229 -12.864 -3.682 1.00 0.00 N ATOM 486 CA SER A 36 -2.280 -12.818 -2.226 1.00 0.00 C ATOM 487 C SER A 36 -1.102 -13.573 -1.617 1.00 0.00 C ATOM 488 O SER A 36 -0.915 -14.769 -1.842 1.00 0.00 O ATOM 489 CB SER A 36 -3.596 -13.412 -1.721 1.00 0.00 C ATOM 490 OG SER A 36 -3.873 -14.650 -2.354 1.00 0.00 O ATOM 0 H SER A 36 -3.142 -12.844 -4.137 1.00 0.00 H new ATOM 0 HA SER A 36 -2.219 -11.774 -1.918 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.543 -13.556 -0.642 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.411 -12.713 -1.910 1.00 0.00 H new ATOM 0 HG SER A 36 -3.051 -15.180 -2.410 1.00 0.00 H new ATOM 496 N PRO A 37 -0.287 -12.858 -0.827 1.00 0.00 N ATOM 497 CA PRO A 37 -0.499 -11.434 -0.553 1.00 0.00 C ATOM 498 C PRO A 37 -0.237 -10.563 -1.776 1.00 0.00 C ATOM 499 O PRO A 37 0.565 -10.914 -2.641 1.00 0.00 O ATOM 500 CB PRO A 37 0.519 -11.129 0.549 1.00 0.00 C ATOM 501 CG PRO A 37 1.591 -12.147 0.365 1.00 0.00 C ATOM 502 CD PRO A 37 0.904 -13.385 -0.141 1.00 0.00 C ATOM 0 HA PRO A 37 -1.530 -11.223 -0.270 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.913 -10.117 0.455 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.067 -11.204 1.538 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.342 -11.799 -0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.108 -12.344 1.304 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.542 -13.949 -0.821 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.634 -14.056 0.674 1.00 0.00 H new ATOM 510 N VAL A 38 -0.919 -9.424 -1.843 1.00 0.00 N ATOM 511 CA VAL A 38 -0.759 -8.501 -2.961 1.00 0.00 C ATOM 512 C VAL A 38 0.477 -7.627 -2.779 1.00 0.00 C ATOM 513 O VAL A 38 0.953 -7.432 -1.660 1.00 0.00 O ATOM 514 CB VAL A 38 -1.995 -7.596 -3.123 1.00 0.00 C ATOM 515 CG1 VAL A 38 -1.770 -6.579 -4.232 1.00 0.00 C ATOM 516 CG2 VAL A 38 -3.235 -8.432 -3.398 1.00 0.00 C ATOM 0 H VAL A 38 -1.588 -9.118 -1.136 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.642 -9.108 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.151 -7.053 -2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.653 -5.948 -4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.907 -5.959 -3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.588 -7.100 -5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.099 -7.776 -3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.092 -9.004 -4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.404 -9.116 -2.567 1.00 0.00 H new ATOM 526 N ARG A 39 0.992 -7.103 -3.886 1.00 0.00 N ATOM 527 CA ARG A 39 2.174 -6.250 -3.849 1.00 0.00 C ATOM 528 C ARG A 39 2.077 -5.141 -4.893 1.00 0.00 C ATOM 529 O ARG A 39 1.095 -5.053 -5.631 1.00 0.00 O ATOM 530 CB ARG A 39 3.436 -7.081 -4.088 1.00 0.00 C ATOM 531 CG ARG A 39 4.043 -7.647 -2.815 1.00 0.00 C ATOM 532 CD ARG A 39 5.452 -8.166 -3.053 1.00 0.00 C ATOM 533 NE ARG A 39 5.458 -9.573 -3.446 1.00 0.00 N ATOM 534 CZ ARG A 39 6.439 -10.138 -4.141 1.00 0.00 C ATOM 535 NH1 ARG A 39 7.489 -9.420 -4.515 1.00 0.00 N ATOM 536 NH2 ARG A 39 6.372 -11.424 -4.461 1.00 0.00 N ATOM 0 H ARG A 39 0.610 -7.254 -4.819 1.00 0.00 H new ATOM 0 HA ARG A 39 2.230 -5.792 -2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.197 -7.903 -4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.179 -6.461 -4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.064 -6.875 -2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.415 -8.455 -2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.931 -7.571 -3.830 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.043 -8.041 -2.146 1.00 0.00 H new ATOM 0 HE ARG A 39 4.665 -10.153 -3.172 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.545 -8.432 -4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.241 -9.856 -5.049 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.567 -11.980 -4.173 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.126 -11.857 -4.995 1.00 0.00 H new ATOM 550 N VAL A 40 3.102 -4.296 -4.948 1.00 0.00 N ATOM 551 CA VAL A 40 3.132 -3.193 -5.901 1.00 0.00 C ATOM 552 C VAL A 40 3.861 -3.591 -7.180 1.00 0.00 C ATOM 553 O VAL A 40 4.844 -4.331 -7.140 1.00 0.00 O ATOM 554 CB VAL A 40 3.815 -1.950 -5.300 1.00 0.00 C ATOM 555 CG1 VAL A 40 3.880 -0.828 -6.324 1.00 0.00 C ATOM 556 CG2 VAL A 40 3.084 -1.496 -4.045 1.00 0.00 C ATOM 0 H VAL A 40 3.922 -4.354 -4.344 1.00 0.00 H new ATOM 0 HA VAL A 40 2.096 -2.951 -6.137 1.00 0.00 H new ATOM 0 HB VAL A 40 4.835 -2.216 -5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.366 0.041 -5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.451 -1.160 -7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.870 -0.560 -6.635 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.580 -0.617 -3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.052 -1.247 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.096 -2.298 -3.307 1.00 0.00 H new ATOM 566 N GLN A 41 3.374 -3.095 -8.312 1.00 0.00 N ATOM 567 CA GLN A 41 3.980 -3.399 -9.603 1.00 0.00 C ATOM 568 C GLN A 41 4.967 -2.311 -10.011 1.00 0.00 C ATOM 569 O GLN A 41 6.096 -2.599 -10.405 1.00 0.00 O ATOM 570 CB GLN A 41 2.899 -3.552 -10.674 1.00 0.00 C ATOM 571 CG GLN A 41 3.454 -3.769 -12.072 1.00 0.00 C ATOM 572 CD GLN A 41 2.449 -4.414 -13.006 1.00 0.00 C ATOM 573 OE1 GLN A 41 1.568 -5.156 -12.572 1.00 0.00 O ATOM 574 NE2 GLN A 41 2.576 -4.133 -14.298 1.00 0.00 N ATOM 0 H GLN A 41 2.561 -2.481 -8.362 1.00 0.00 H new ATOM 0 HA GLN A 41 4.523 -4.339 -9.509 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.257 -4.393 -10.413 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.272 -2.660 -10.675 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.767 -2.811 -12.487 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.343 -4.396 -12.012 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.321 -3.512 -14.614 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.928 -4.538 -14.974 1.00 0.00 H new ATOM 583 N ALA A 42 4.532 -1.058 -9.915 1.00 0.00 N ATOM 584 CA ALA A 42 5.378 0.073 -10.273 1.00 0.00 C ATOM 585 C ALA A 42 4.728 1.393 -9.871 1.00 0.00 C ATOM 586 O ALA A 42 3.504 1.522 -9.878 1.00 0.00 O ATOM 587 CB ALA A 42 5.671 0.061 -11.766 1.00 0.00 C ATOM 0 H ALA A 42 3.599 -0.802 -9.592 1.00 0.00 H new ATOM 0 HA ALA A 42 6.318 -0.021 -9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.304 0.911 -12.019 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.184 -0.864 -12.029 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.735 0.127 -12.321 1.00 0.00 H new ATOM 593 N VAL A 43 5.556 2.371 -9.518 1.00 0.00 N ATOM 594 CA VAL A 43 5.062 3.682 -9.113 1.00 0.00 C ATOM 595 C VAL A 43 5.457 4.754 -10.122 1.00 0.00 C ATOM 596 O VAL A 43 6.623 4.865 -10.501 1.00 0.00 O ATOM 597 CB VAL A 43 5.597 4.078 -7.724 1.00 0.00 C ATOM 598 CG1 VAL A 43 5.070 5.446 -7.318 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.224 3.026 -6.690 1.00 0.00 C ATOM 0 H VAL A 43 6.572 2.280 -9.504 1.00 0.00 H new ATOM 0 HA VAL A 43 3.975 3.611 -9.069 1.00 0.00 H new ATOM 0 HB VAL A 43 6.684 4.135 -7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.459 5.708 -6.334 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.392 6.191 -8.046 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.981 5.421 -7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.610 3.322 -5.714 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.139 2.935 -6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.656 2.067 -6.975 1.00 0.00 H new ATOM 609 N ASP A 44 4.478 5.543 -10.552 1.00 0.00 N ATOM 610 CA ASP A 44 4.723 6.609 -11.516 1.00 0.00 C ATOM 611 C ASP A 44 5.344 7.825 -10.836 1.00 0.00 C ATOM 612 O ASP A 44 4.659 8.579 -10.145 1.00 0.00 O ATOM 613 CB ASP A 44 3.419 7.007 -12.210 1.00 0.00 C ATOM 614 CG ASP A 44 3.657 7.677 -13.549 1.00 0.00 C ATOM 615 OD1 ASP A 44 4.630 8.452 -13.660 1.00 0.00 O ATOM 616 OD2 ASP A 44 2.871 7.426 -14.487 1.00 0.00 O ATOM 0 H ASP A 44 3.508 5.464 -10.248 1.00 0.00 H new ATOM 0 HA ASP A 44 5.424 6.236 -12.263 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.803 6.120 -12.355 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.858 7.682 -11.564 1.00 0.00 H new ATOM 621 N SER A 45 6.645 8.009 -11.036 1.00 0.00 N ATOM 622 CA SER A 45 7.359 9.130 -10.438 1.00 0.00 C ATOM 623 C SER A 45 6.691 10.454 -10.798 1.00 0.00 C ATOM 624 O SER A 45 6.710 10.878 -11.953 1.00 0.00 O ATOM 625 CB SER A 45 8.817 9.140 -10.902 1.00 0.00 C ATOM 626 OG SER A 45 9.638 9.850 -9.991 1.00 0.00 O ATOM 0 H SER A 45 7.226 7.396 -11.608 1.00 0.00 H new ATOM 0 HA SER A 45 7.330 9.010 -9.355 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.178 8.116 -10.999 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.884 9.597 -11.889 1.00 0.00 H new ATOM 0 HG SER A 45 9.294 9.732 -9.081 1.00 0.00 H new ATOM 632 N GLY A 46 6.100 11.102 -9.799 1.00 0.00 N ATOM 633 CA GLY A 46 5.433 12.371 -10.029 1.00 0.00 C ATOM 634 C GLY A 46 3.926 12.263 -9.914 1.00 0.00 C ATOM 635 O GLY A 46 3.243 13.254 -9.658 1.00 0.00 O ATOM 0 H GLY A 46 6.071 10.771 -8.835 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.797 13.105 -9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.693 12.740 -11.021 1.00 0.00 H new ATOM 639 N GLY A 47 3.404 11.055 -10.107 1.00 0.00 N ATOM 640 CA GLY A 47 1.971 10.844 -10.021 1.00 0.00 C ATOM 641 C GLY A 47 1.416 11.179 -8.651 1.00 0.00 C ATOM 642 O GLY A 47 2.149 11.553 -7.735 1.00 0.00 O ATOM 0 H GLY A 47 3.948 10.219 -10.321 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.471 11.456 -10.772 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.745 9.804 -10.256 1.00 0.00 H new ATOM 646 N PRO A 48 0.090 11.046 -8.496 1.00 0.00 N ATOM 647 CA PRO A 48 -0.591 11.333 -7.230 1.00 0.00 C ATOM 648 C PRO A 48 -0.264 10.309 -6.150 1.00 0.00 C ATOM 649 O PRO A 48 -0.475 10.555 -4.963 1.00 0.00 O ATOM 650 CB PRO A 48 -2.074 11.262 -7.602 1.00 0.00 C ATOM 651 CG PRO A 48 -2.124 10.365 -8.791 1.00 0.00 C ATOM 652 CD PRO A 48 -0.845 10.604 -9.544 1.00 0.00 C ATOM 0 HA PRO A 48 -0.287 12.293 -6.812 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.670 10.864 -6.780 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.472 12.250 -7.834 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.210 9.321 -8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.991 10.589 -9.413 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.495 9.698 -10.039 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.970 11.362 -10.317 1.00 0.00 H new ATOM 660 N ALA A 49 0.255 9.159 -6.568 1.00 0.00 N ATOM 661 CA ALA A 49 0.614 8.098 -5.636 1.00 0.00 C ATOM 662 C ALA A 49 1.945 8.394 -4.954 1.00 0.00 C ATOM 663 O ALA A 49 2.068 8.277 -3.735 1.00 0.00 O ATOM 664 CB ALA A 49 0.674 6.759 -6.356 1.00 0.00 C ATOM 0 H ALA A 49 0.436 8.939 -7.547 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.156 8.049 -4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.943 5.976 -5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.300 6.535 -6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.422 6.805 -7.147 1.00 0.00 H new ATOM 670 N GLU A 50 2.940 8.777 -5.749 1.00 0.00 N ATOM 671 CA GLU A 50 4.263 9.088 -5.221 1.00 0.00 C ATOM 672 C GLU A 50 4.202 10.280 -4.270 1.00 0.00 C ATOM 673 O GLU A 50 4.694 10.214 -3.143 1.00 0.00 O ATOM 674 CB GLU A 50 5.236 9.383 -6.364 1.00 0.00 C ATOM 675 CG GLU A 50 6.695 9.183 -5.988 1.00 0.00 C ATOM 676 CD GLU A 50 7.631 10.064 -6.793 1.00 0.00 C ATOM 677 OE1 GLU A 50 7.275 11.234 -7.046 1.00 0.00 O ATOM 678 OE2 GLU A 50 8.719 9.582 -7.171 1.00 0.00 O ATOM 0 H GLU A 50 2.855 8.879 -6.760 1.00 0.00 H new ATOM 0 HA GLU A 50 4.618 8.220 -4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.996 8.739 -7.210 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.093 10.411 -6.696 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.825 9.395 -4.927 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.965 8.138 -6.140 1.00 0.00 H new ATOM 685 N ARG A 51 3.597 11.369 -4.732 1.00 0.00 N ATOM 686 CA ARG A 51 3.474 12.576 -3.924 1.00 0.00 C ATOM 687 C ARG A 51 3.044 12.235 -2.500 1.00 0.00 C ATOM 688 O ARG A 51 3.546 12.811 -1.535 1.00 0.00 O ATOM 689 CB ARG A 51 2.466 13.538 -4.556 1.00 0.00 C ATOM 690 CG ARG A 51 1.047 12.994 -4.596 1.00 0.00 C ATOM 691 CD ARG A 51 0.063 14.041 -5.092 1.00 0.00 C ATOM 692 NE ARG A 51 0.069 15.238 -4.255 1.00 0.00 N ATOM 693 CZ ARG A 51 0.920 16.245 -4.419 1.00 0.00 C ATOM 694 NH1 ARG A 51 1.827 16.200 -5.385 1.00 0.00 N ATOM 695 NH2 ARG A 51 0.864 17.301 -3.617 1.00 0.00 N ATOM 0 H ARG A 51 3.184 11.440 -5.662 1.00 0.00 H new ATOM 0 HA ARG A 51 4.451 13.058 -3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.471 14.474 -3.998 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.786 13.770 -5.572 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.009 12.120 -5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.755 12.662 -3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.311 14.315 -6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.941 13.616 -5.109 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.618 15.304 -3.504 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.873 15.391 -6.004 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.479 16.974 -5.509 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.167 17.340 -2.873 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.518 18.073 -3.744 1.00 0.00 H new ATOM 709 N ALA A 52 2.111 11.297 -2.378 1.00 0.00 N ATOM 710 CA ALA A 52 1.614 10.879 -1.073 1.00 0.00 C ATOM 711 C ALA A 52 2.689 10.131 -0.290 1.00 0.00 C ATOM 712 O ALA A 52 3.090 10.555 0.793 1.00 0.00 O ATOM 713 CB ALA A 52 0.375 10.011 -1.232 1.00 0.00 C ATOM 0 H ALA A 52 1.684 10.812 -3.167 1.00 0.00 H new ATOM 0 HA ALA A 52 1.347 11.774 -0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.015 9.707 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.403 10.578 -1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.624 9.126 -1.818 1.00 0.00 H new ATOM 719 N GLY A 53 3.151 9.015 -0.846 1.00 0.00 N ATOM 720 CA GLY A 53 4.174 8.225 -0.186 1.00 0.00 C ATOM 721 C GLY A 53 4.124 6.763 -0.583 1.00 0.00 C ATOM 722 O GLY A 53 4.358 5.880 0.243 1.00 0.00 O ATOM 0 H GLY A 53 2.835 8.644 -1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.156 8.631 -0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.053 8.309 0.894 1.00 0.00 H new ATOM 726 N LEU A 54 3.818 6.506 -1.850 1.00 0.00 N ATOM 727 CA LEU A 54 3.737 5.140 -2.355 1.00 0.00 C ATOM 728 C LEU A 54 5.109 4.638 -2.791 1.00 0.00 C ATOM 729 O LEU A 54 5.857 5.351 -3.460 1.00 0.00 O ATOM 730 CB LEU A 54 2.758 5.066 -3.528 1.00 0.00 C ATOM 731 CG LEU A 54 2.033 3.733 -3.714 1.00 0.00 C ATOM 732 CD1 LEU A 54 0.685 3.947 -4.386 1.00 0.00 C ATOM 733 CD2 LEU A 54 2.888 2.770 -4.525 1.00 0.00 C ATOM 0 H LEU A 54 3.622 7.225 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 54 3.377 4.502 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.010 5.849 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.303 5.291 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 54 1.860 3.295 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.184 2.987 -4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.070 4.600 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.834 4.407 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.356 1.826 -4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.092 3.202 -5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.829 2.591 -4.004 1.00 0.00 H new ATOM 745 N GLN A 55 5.432 3.406 -2.409 1.00 0.00 N ATOM 746 CA GLN A 55 6.714 2.809 -2.763 1.00 0.00 C ATOM 747 C GLN A 55 6.516 1.548 -3.597 1.00 0.00 C ATOM 748 O GLN A 55 5.407 1.023 -3.690 1.00 0.00 O ATOM 749 CB GLN A 55 7.513 2.479 -1.500 1.00 0.00 C ATOM 750 CG GLN A 55 8.925 1.994 -1.783 1.00 0.00 C ATOM 751 CD GLN A 55 9.803 2.001 -0.547 1.00 0.00 C ATOM 752 OE1 GLN A 55 10.681 2.851 -0.399 1.00 0.00 O ATOM 753 NE2 GLN A 55 9.569 1.050 0.350 1.00 0.00 N ATOM 0 H GLN A 55 4.824 2.803 -1.855 1.00 0.00 H new ATOM 0 HA GLN A 55 7.271 3.533 -3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.562 3.366 -0.869 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.982 1.714 -0.934 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.883 0.983 -2.189 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.376 2.626 -2.548 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.831 0.365 0.187 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.128 1.004 1.202 1.00 0.00 H new ATOM 762 N GLN A 56 7.598 1.068 -4.202 1.00 0.00 N ATOM 763 CA GLN A 56 7.541 -0.131 -5.030 1.00 0.00 C ATOM 764 C GLN A 56 7.880 -1.373 -4.212 1.00 0.00 C ATOM 765 O GLN A 56 8.634 -1.303 -3.240 1.00 0.00 O ATOM 766 CB GLN A 56 8.504 -0.006 -6.212 1.00 0.00 C ATOM 767 CG GLN A 56 8.273 -1.046 -7.297 1.00 0.00 C ATOM 768 CD GLN A 56 9.497 -1.265 -8.165 1.00 0.00 C ATOM 769 OE1 GLN A 56 10.420 -1.986 -7.786 1.00 0.00 O ATOM 770 NE2 GLN A 56 9.510 -0.641 -9.337 1.00 0.00 N ATOM 0 H GLN A 56 8.524 1.491 -4.134 1.00 0.00 H new ATOM 0 HA GLN A 56 6.524 -0.233 -5.408 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.405 0.989 -6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.527 -0.095 -5.847 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.986 -1.991 -6.835 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.439 -0.732 -7.924 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.723 -0.053 -9.610 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.307 -0.750 -9.964 1.00 0.00 H new ATOM 779 N LEU A 57 7.319 -2.509 -4.612 1.00 0.00 N ATOM 780 CA LEU A 57 7.562 -3.768 -3.916 1.00 0.00 C ATOM 781 C LEU A 57 6.935 -3.752 -2.526 1.00 0.00 C ATOM 782 O LEU A 57 7.410 -4.425 -1.611 1.00 0.00 O ATOM 783 CB LEU A 57 9.065 -4.032 -3.807 1.00 0.00 C ATOM 784 CG LEU A 57 9.875 -3.841 -5.090 1.00 0.00 C ATOM 785 CD1 LEU A 57 11.364 -3.961 -4.804 1.00 0.00 C ATOM 786 CD2 LEU A 57 9.449 -4.852 -6.144 1.00 0.00 C ATOM 0 H LEU A 57 6.693 -2.584 -5.414 1.00 0.00 H new ATOM 0 HA LEU A 57 7.100 -4.569 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.475 -3.373 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.210 -5.055 -3.459 1.00 0.00 H new ATOM 0 HG LEU A 57 9.680 -2.840 -5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.924 -3.822 -5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.659 -3.198 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.578 -4.949 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.036 -4.702 -7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.615 -5.862 -5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.391 -4.718 -6.370 1.00 0.00 H new ATOM 798 N ASP A 58 5.864 -2.980 -2.375 1.00 0.00 N ATOM 799 CA ASP A 58 5.169 -2.878 -1.097 1.00 0.00 C ATOM 800 C ASP A 58 3.998 -3.853 -1.036 1.00 0.00 C ATOM 801 O ASP A 58 3.293 -4.057 -2.025 1.00 0.00 O ATOM 802 CB ASP A 58 4.671 -1.449 -0.875 1.00 0.00 C ATOM 803 CG ASP A 58 5.754 -0.536 -0.334 1.00 0.00 C ATOM 804 OD1 ASP A 58 6.866 -0.532 -0.903 1.00 0.00 O ATOM 805 OD2 ASP A 58 5.489 0.175 0.658 1.00 0.00 O ATOM 0 H ASP A 58 5.458 -2.416 -3.122 1.00 0.00 H new ATOM 0 HA ASP A 58 5.874 -3.135 -0.307 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.298 -1.047 -1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.832 -1.464 -0.180 1.00 0.00 H new ATOM 810 N THR A 59 3.795 -4.454 0.132 1.00 0.00 N ATOM 811 CA THR A 59 2.711 -5.410 0.322 1.00 0.00 C ATOM 812 C THR A 59 1.451 -4.718 0.829 1.00 0.00 C ATOM 813 O THR A 59 1.488 -3.983 1.816 1.00 0.00 O ATOM 814 CB THR A 59 3.107 -6.520 1.313 1.00 0.00 C ATOM 815 OG1 THR A 59 4.322 -7.147 0.886 1.00 0.00 O ATOM 816 CG2 THR A 59 2.006 -7.563 1.426 1.00 0.00 C ATOM 0 H THR A 59 4.367 -4.296 0.961 1.00 0.00 H new ATOM 0 HA THR A 59 2.511 -5.858 -0.651 1.00 0.00 H new ATOM 0 HB THR A 59 3.257 -6.065 2.292 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.568 -7.851 1.522 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.309 -8.337 2.132 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.090 -7.089 1.779 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.829 -8.012 0.449 1.00 0.00 H new ATOM 824 N VAL A 60 0.334 -4.959 0.149 1.00 0.00 N ATOM 825 CA VAL A 60 -0.939 -4.360 0.532 1.00 0.00 C ATOM 826 C VAL A 60 -1.536 -5.067 1.743 1.00 0.00 C ATOM 827 O VAL A 60 -2.120 -6.145 1.620 1.00 0.00 O ATOM 828 CB VAL A 60 -1.952 -4.405 -0.628 1.00 0.00 C ATOM 829 CG1 VAL A 60 -3.202 -3.613 -0.276 1.00 0.00 C ATOM 830 CG2 VAL A 60 -1.320 -3.880 -1.908 1.00 0.00 C ATOM 0 H VAL A 60 0.285 -5.565 -0.670 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.736 -3.320 0.786 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.243 -5.442 -0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.906 -3.656 -1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.665 -4.040 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.932 -2.575 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.050 -3.919 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.999 -2.849 -1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.458 -4.495 -2.167 1.00 0.00 H new ATOM 840 N LEU A 61 -1.388 -4.454 2.912 1.00 0.00 N ATOM 841 CA LEU A 61 -1.914 -5.024 4.147 1.00 0.00 C ATOM 842 C LEU A 61 -3.439 -5.000 4.152 1.00 0.00 C ATOM 843 O LEU A 61 -4.086 -6.045 4.217 1.00 0.00 O ATOM 844 CB LEU A 61 -1.377 -4.257 5.356 1.00 0.00 C ATOM 845 CG LEU A 61 0.009 -4.672 5.853 1.00 0.00 C ATOM 846 CD1 LEU A 61 -0.107 -5.767 6.902 1.00 0.00 C ATOM 847 CD2 LEU A 61 0.876 -5.134 4.690 1.00 0.00 C ATOM 0 H LEU A 61 -0.908 -3.562 3.031 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.585 -6.061 4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.348 -3.197 5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.085 -4.371 6.177 1.00 0.00 H new ATOM 0 HG LEU A 61 0.484 -3.806 6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.888 -6.050 7.244 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.691 -5.401 7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.602 -6.636 6.468 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.858 -5.425 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.405 -5.987 4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.986 -4.321 3.973 1.00 0.00 H new ATOM 859 N GLN A 62 -4.007 -3.800 4.081 1.00 0.00 N ATOM 860 CA GLN A 62 -5.456 -3.640 4.076 1.00 0.00 C ATOM 861 C GLN A 62 -5.866 -2.415 3.266 1.00 0.00 C ATOM 862 O GLN A 62 -5.252 -1.352 3.374 1.00 0.00 O ATOM 863 CB GLN A 62 -5.982 -3.519 5.507 1.00 0.00 C ATOM 864 CG GLN A 62 -5.612 -2.208 6.183 1.00 0.00 C ATOM 865 CD GLN A 62 -6.048 -2.156 7.634 1.00 0.00 C ATOM 866 OE1 GLN A 62 -5.222 -2.027 8.538 1.00 0.00 O ATOM 867 NE2 GLN A 62 -7.352 -2.255 7.864 1.00 0.00 N ATOM 0 H GLN A 62 -3.486 -2.925 4.026 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.892 -4.524 3.610 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.067 -3.619 5.496 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.592 -4.346 6.100 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.533 -2.067 6.127 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.071 -1.382 5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.001 -2.361 7.084 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.705 -2.225 8.821 1.00 0.00 H new ATOM 876 N LEU A 63 -6.906 -2.569 2.454 1.00 0.00 N ATOM 877 CA LEU A 63 -7.398 -1.475 1.624 1.00 0.00 C ATOM 878 C LEU A 63 -8.850 -1.148 1.959 1.00 0.00 C ATOM 879 O LEU A 63 -9.694 -2.039 2.040 1.00 0.00 O ATOM 880 CB LEU A 63 -7.273 -1.835 0.143 1.00 0.00 C ATOM 881 CG LEU A 63 -8.087 -0.979 -0.827 1.00 0.00 C ATOM 882 CD1 LEU A 63 -7.284 0.236 -1.268 1.00 0.00 C ATOM 883 CD2 LEU A 63 -8.518 -1.801 -2.033 1.00 0.00 C ATOM 0 H LEU A 63 -7.425 -3.441 2.353 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.790 -0.594 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.222 -1.768 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.572 -2.876 0.016 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.982 -0.631 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.879 0.834 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.026 0.837 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.371 -0.092 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.096 -1.175 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.636 -2.179 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.131 -2.639 -1.702 1.00 0.00 H new ATOM 895 N ASN A 64 -9.133 0.136 2.151 1.00 0.00 N ATOM 896 CA ASN A 64 -10.484 0.581 2.475 1.00 0.00 C ATOM 897 C ASN A 64 -10.951 -0.018 3.798 1.00 0.00 C ATOM 898 O ASN A 64 -12.016 -0.630 3.871 1.00 0.00 O ATOM 899 CB ASN A 64 -11.453 0.194 1.356 1.00 0.00 C ATOM 900 CG ASN A 64 -11.573 1.272 0.296 1.00 0.00 C ATOM 901 OD1 ASN A 64 -12.676 1.649 -0.100 1.00 0.00 O ATOM 902 ND2 ASN A 64 -10.434 1.774 -0.168 1.00 0.00 N ATOM 0 H ASN A 64 -8.445 0.887 2.088 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.469 1.666 2.573 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.116 -0.733 0.891 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.436 -0.003 1.783 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.451 2.502 -0.882 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.542 1.431 0.190 1.00 0.00 H new ATOM 909 N GLU A 65 -10.147 0.163 4.841 1.00 0.00 N ATOM 910 CA GLU A 65 -10.479 -0.360 6.160 1.00 0.00 C ATOM 911 C GLU A 65 -10.928 -1.816 6.071 1.00 0.00 C ATOM 912 O GLU A 65 -11.734 -2.278 6.879 1.00 0.00 O ATOM 913 CB GLU A 65 -11.578 0.485 6.807 1.00 0.00 C ATOM 914 CG GLU A 65 -12.915 0.396 6.092 1.00 0.00 C ATOM 915 CD GLU A 65 -14.068 0.886 6.946 1.00 0.00 C ATOM 916 OE1 GLU A 65 -14.113 0.531 8.143 1.00 0.00 O ATOM 917 OE2 GLU A 65 -14.925 1.625 6.418 1.00 0.00 O ATOM 0 H GLU A 65 -9.262 0.668 4.798 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.582 -0.311 6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.707 0.167 7.842 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.257 1.526 6.831 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.872 0.984 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.098 -0.638 5.800 1.00 0.00 H new ATOM 924 N ARG A 66 -10.400 -2.533 5.084 1.00 0.00 N ATOM 925 CA ARG A 66 -10.748 -3.935 4.888 1.00 0.00 C ATOM 926 C ARG A 66 -9.495 -4.783 4.690 1.00 0.00 C ATOM 927 O ARG A 66 -8.549 -4.387 4.009 1.00 0.00 O ATOM 928 CB ARG A 66 -11.676 -4.088 3.681 1.00 0.00 C ATOM 929 CG ARG A 66 -13.105 -3.647 3.952 1.00 0.00 C ATOM 930 CD ARG A 66 -14.073 -4.246 2.944 1.00 0.00 C ATOM 931 NE ARG A 66 -14.490 -5.594 3.321 1.00 0.00 N ATOM 932 CZ ARG A 66 -15.600 -6.172 2.875 1.00 0.00 C ATOM 933 NH1 ARG A 66 -16.400 -5.523 2.040 1.00 0.00 N ATOM 934 NH2 ARG A 66 -15.911 -7.402 3.263 1.00 0.00 N ATOM 0 H ARG A 66 -9.730 -2.166 4.408 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.265 -4.284 5.782 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.277 -3.506 2.850 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.680 -5.132 3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.395 -3.947 4.959 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.165 -2.559 3.914 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.951 -3.605 2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.602 -4.274 1.961 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.896 -6.121 3.962 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.164 -4.578 1.739 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.252 -5.969 1.699 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.298 -7.905 3.904 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.763 -7.845 2.920 1.00 0.00 H new ATOM 948 N PRO A 67 -9.486 -5.977 5.300 1.00 0.00 N ATOM 949 CA PRO A 67 -8.356 -6.906 5.206 1.00 0.00 C ATOM 950 C PRO A 67 -8.214 -7.507 3.812 1.00 0.00 C ATOM 951 O PRO A 67 -9.103 -8.214 3.336 1.00 0.00 O ATOM 952 CB PRO A 67 -8.705 -7.994 6.225 1.00 0.00 C ATOM 953 CG PRO A 67 -10.191 -7.952 6.329 1.00 0.00 C ATOM 954 CD PRO A 67 -10.579 -6.514 6.128 1.00 0.00 C ATOM 0 HA PRO A 67 -7.404 -6.411 5.400 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.359 -8.973 5.893 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.235 -7.799 7.189 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.653 -8.590 5.576 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.525 -8.314 7.301 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.543 -6.424 5.628 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.662 -5.984 7.077 1.00 0.00 H new ATOM 962 N VAL A 68 -7.090 -7.223 3.162 1.00 0.00 N ATOM 963 CA VAL A 68 -6.831 -7.737 1.822 1.00 0.00 C ATOM 964 C VAL A 68 -5.462 -8.405 1.745 1.00 0.00 C ATOM 965 O VAL A 68 -4.970 -8.709 0.659 1.00 0.00 O ATOM 966 CB VAL A 68 -6.904 -6.617 0.767 1.00 0.00 C ATOM 967 CG1 VAL A 68 -8.174 -5.799 0.944 1.00 0.00 C ATOM 968 CG2 VAL A 68 -5.672 -5.729 0.847 1.00 0.00 C ATOM 0 H VAL A 68 -6.344 -6.640 3.541 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.605 -8.475 1.611 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.930 -7.074 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.208 -5.013 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.043 -6.447 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.182 -5.350 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.740 -4.943 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.612 -5.279 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.779 -6.328 0.666 1.00 0.00 H new ATOM 978 N GLU A 69 -4.853 -8.630 2.905 1.00 0.00 N ATOM 979 CA GLU A 69 -3.541 -9.261 2.968 1.00 0.00 C ATOM 980 C GLU A 69 -3.551 -10.610 2.253 1.00 0.00 C ATOM 981 O GLU A 69 -2.508 -11.107 1.828 1.00 0.00 O ATOM 982 CB GLU A 69 -3.108 -9.447 4.424 1.00 0.00 C ATOM 983 CG GLU A 69 -1.603 -9.399 4.622 1.00 0.00 C ATOM 984 CD GLU A 69 -0.950 -10.758 4.460 1.00 0.00 C ATOM 985 OE1 GLU A 69 -1.497 -11.746 4.991 1.00 0.00 O ATOM 986 OE2 GLU A 69 0.109 -10.833 3.801 1.00 0.00 O ATOM 0 H GLU A 69 -5.247 -8.385 3.813 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.828 -8.607 2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.571 -8.671 5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.483 -10.404 4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.168 -8.703 3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.383 -9.011 5.616 1.00 0.00 H new ATOM 993 N HIS A 70 -4.737 -11.196 2.125 1.00 0.00 N ATOM 994 CA HIS A 70 -4.884 -12.487 1.462 1.00 0.00 C ATOM 995 C HIS A 70 -5.774 -12.366 0.229 1.00 0.00 C ATOM 996 O HIS A 70 -6.480 -13.308 -0.133 1.00 0.00 O ATOM 997 CB HIS A 70 -5.469 -13.517 2.429 1.00 0.00 C ATOM 998 CG HIS A 70 -4.502 -13.970 3.479 1.00 0.00 C ATOM 999 ND1 HIS A 70 -3.804 -15.123 3.602 1.00 0.00 N flip ATOM 1000 CD2 HIS A 70 -4.159 -13.198 4.570 1.00 0.00 C flip ATOM 1001 CE1 HIS A 70 -3.060 -15.028 4.752 1.00 0.00 C flip ATOM 1002 NE2 HIS A 70 -3.292 -13.857 5.317 1.00 0.00 N flip ATOM 0 H HIS A 70 -5.610 -10.798 2.471 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.896 -12.819 1.144 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.346 -13.090 2.915 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.809 -14.384 1.862 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.540 -12.210 4.780 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.393 -15.788 5.133 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.873 -13.519 6.183 1.00 0.00 H new ATOM 1011 N TRP A 71 -5.736 -11.203 -0.410 1.00 0.00 N ATOM 1012 CA TRP A 71 -6.541 -10.959 -1.602 1.00 0.00 C ATOM 1013 C TRP A 71 -5.671 -10.961 -2.855 1.00 0.00 C ATOM 1014 O TRP A 71 -4.486 -10.632 -2.801 1.00 0.00 O ATOM 1015 CB TRP A 71 -7.279 -9.625 -1.481 1.00 0.00 C ATOM 1016 CG TRP A 71 -8.333 -9.624 -0.415 1.00 0.00 C ATOM 1017 CD1 TRP A 71 -8.529 -10.576 0.544 1.00 0.00 C ATOM 1018 CD2 TRP A 71 -9.337 -8.625 -0.204 1.00 0.00 C ATOM 1019 NE1 TRP A 71 -9.594 -10.229 1.340 1.00 0.00 N ATOM 1020 CE2 TRP A 71 -10.106 -9.036 0.902 1.00 0.00 C ATOM 1021 CE3 TRP A 71 -9.659 -7.423 -0.839 1.00 0.00 C ATOM 1022 CZ2 TRP A 71 -11.177 -8.287 1.383 1.00 0.00 C ATOM 1023 CZ3 TRP A 71 -10.722 -6.681 -0.361 1.00 0.00 C ATOM 1024 CH2 TRP A 71 -11.470 -7.114 0.742 1.00 0.00 C ATOM 0 H TRP A 71 -5.157 -10.414 -0.123 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.272 -11.763 -1.687 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.557 -8.836 -1.269 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.741 -9.385 -2.439 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -7.934 -11.470 0.660 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -9.946 -10.771 2.129 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.087 -7.080 -1.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.756 -8.620 2.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.981 -5.751 -0.846 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.294 -6.510 1.093 1.00 0.00 H new ATOM 1035 N LYS A 72 -6.267 -11.334 -3.983 1.00 0.00 N ATOM 1036 CA LYS A 72 -5.548 -11.377 -5.250 1.00 0.00 C ATOM 1037 C LYS A 72 -5.835 -10.131 -6.082 1.00 0.00 C ATOM 1038 O LYS A 72 -6.922 -9.557 -6.002 1.00 0.00 O ATOM 1039 CB LYS A 72 -5.938 -12.630 -6.038 1.00 0.00 C ATOM 1040 CG LYS A 72 -5.816 -13.915 -5.237 1.00 0.00 C ATOM 1041 CD LYS A 72 -5.958 -15.140 -6.124 1.00 0.00 C ATOM 1042 CE LYS A 72 -6.541 -16.318 -5.358 1.00 0.00 C ATOM 1043 NZ LYS A 72 -8.025 -16.237 -5.261 1.00 0.00 N ATOM 0 H LYS A 72 -7.247 -11.611 -4.045 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.480 -11.409 -5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.966 -12.525 -6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.307 -12.703 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.850 -13.940 -4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.582 -13.935 -4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.599 -14.903 -6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.983 -15.414 -6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.260 -17.248 -5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.113 -16.348 -4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.384 -17.058 -4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.293 -15.362 -4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.436 -16.235 -6.216 1.00 0.00 H new ATOM 1057 N CYS A 73 -4.856 -9.719 -6.879 1.00 0.00 N ATOM 1058 CA CYS A 73 -5.004 -8.541 -7.726 1.00 0.00 C ATOM 1059 C CYS A 73 -6.450 -8.380 -8.185 1.00 0.00 C ATOM 1060 O CYS A 73 -6.988 -7.272 -8.200 1.00 0.00 O ATOM 1061 CB CYS A 73 -4.079 -8.640 -8.939 1.00 0.00 C ATOM 1062 SG CYS A 73 -4.431 -10.043 -10.023 1.00 0.00 S ATOM 0 H CYS A 73 -3.951 -10.183 -6.957 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.728 -7.665 -7.139 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.156 -7.719 -9.517 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.048 -8.713 -8.592 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.598 -10.040 -11.021 1.00 0.00 H new ATOM 1068 N VAL A 74 -7.073 -9.492 -8.561 1.00 0.00 N ATOM 1069 CA VAL A 74 -8.456 -9.474 -9.022 1.00 0.00 C ATOM 1070 C VAL A 74 -9.407 -9.090 -7.893 1.00 0.00 C ATOM 1071 O VAL A 74 -10.208 -8.167 -8.031 1.00 0.00 O ATOM 1072 CB VAL A 74 -8.876 -10.844 -9.589 1.00 0.00 C ATOM 1073 CG1 VAL A 74 -8.090 -11.163 -10.850 1.00 0.00 C ATOM 1074 CG2 VAL A 74 -8.689 -11.933 -8.543 1.00 0.00 C ATOM 0 H VAL A 74 -6.642 -10.416 -8.555 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.516 -8.727 -9.814 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.933 -10.802 -9.850 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.400 -12.134 -11.236 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.280 -10.396 -11.601 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.025 -11.188 -10.619 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.990 -12.894 -8.960 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.641 -11.978 -8.248 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.302 -11.708 -7.670 1.00 0.00 H new ATOM 1084 N GLU A 75 -9.310 -9.806 -6.777 1.00 0.00 N ATOM 1085 CA GLU A 75 -10.162 -9.539 -5.624 1.00 0.00 C ATOM 1086 C GLU A 75 -9.957 -8.116 -5.113 1.00 0.00 C ATOM 1087 O GLU A 75 -10.920 -7.398 -4.837 1.00 0.00 O ATOM 1088 CB GLU A 75 -9.872 -10.541 -4.505 1.00 0.00 C ATOM 1089 CG GLU A 75 -10.455 -11.922 -4.758 1.00 0.00 C ATOM 1090 CD GLU A 75 -11.959 -11.894 -4.952 1.00 0.00 C ATOM 1091 OE1 GLU A 75 -12.617 -11.010 -4.364 1.00 0.00 O ATOM 1092 OE2 GLU A 75 -12.477 -12.756 -5.693 1.00 0.00 O ATOM 0 H GLU A 75 -8.651 -10.574 -6.647 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.200 -9.647 -5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.793 -10.629 -4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.272 -10.153 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.986 -12.354 -5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.213 -12.574 -3.919 1.00 0.00 H new ATOM 1099 N LEU A 76 -8.697 -7.714 -4.989 1.00 0.00 N ATOM 1100 CA LEU A 76 -8.364 -6.377 -4.511 1.00 0.00 C ATOM 1101 C LEU A 76 -8.740 -5.320 -5.544 1.00 0.00 C ATOM 1102 O LEU A 76 -9.592 -4.468 -5.293 1.00 0.00 O ATOM 1103 CB LEU A 76 -6.871 -6.286 -4.191 1.00 0.00 C ATOM 1104 CG LEU A 76 -6.408 -4.999 -3.507 1.00 0.00 C ATOM 1105 CD1 LEU A 76 -7.350 -4.631 -2.371 1.00 0.00 C ATOM 1106 CD2 LEU A 76 -4.984 -5.150 -2.994 1.00 0.00 C ATOM 0 H LEU A 76 -7.889 -8.295 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.936 -6.190 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.605 -7.129 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.313 -6.401 -5.120 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.424 -4.193 -4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.005 -3.713 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.355 -4.480 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.366 -5.436 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.671 -4.225 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.941 -5.968 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.317 -5.366 -3.829 1.00 0.00 H new ATOM 1118 N ALA A 77 -8.100 -5.382 -6.707 1.00 0.00 N ATOM 1119 CA ALA A 77 -8.371 -4.433 -7.779 1.00 0.00 C ATOM 1120 C ALA A 77 -9.838 -4.016 -7.786 1.00 0.00 C ATOM 1121 O ALA A 77 -10.161 -2.852 -8.025 1.00 0.00 O ATOM 1122 CB ALA A 77 -7.984 -5.032 -9.124 1.00 0.00 C ATOM 0 H ALA A 77 -7.390 -6.080 -6.931 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.768 -3.542 -7.603 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.192 -4.313 -9.916 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.921 -5.273 -9.123 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.562 -5.940 -9.298 1.00 0.00 H new ATOM 1128 N HIS A 78 -10.722 -4.973 -7.524 1.00 0.00 N ATOM 1129 CA HIS A 78 -12.155 -4.704 -7.499 1.00 0.00 C ATOM 1130 C HIS A 78 -12.481 -3.582 -6.518 1.00 0.00 C ATOM 1131 O HIS A 78 -13.150 -2.612 -6.871 1.00 0.00 O ATOM 1132 CB HIS A 78 -12.927 -5.969 -7.121 1.00 0.00 C ATOM 1133 CG HIS A 78 -14.264 -5.693 -6.506 1.00 0.00 C ATOM 1134 ND1 HIS A 78 -15.350 -5.252 -7.232 1.00 0.00 N ATOM 1135 CD2 HIS A 78 -14.688 -5.800 -5.225 1.00 0.00 C ATOM 1136 CE1 HIS A 78 -16.384 -5.098 -6.425 1.00 0.00 C ATOM 1137 NE2 HIS A 78 -16.009 -5.424 -5.201 1.00 0.00 N ATOM 0 H HIS A 78 -10.471 -5.942 -7.326 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.457 -4.388 -8.498 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -13.066 -6.580 -8.013 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -12.329 -6.555 -6.423 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -14.098 -6.121 -4.379 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -17.368 -4.763 -6.716 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -16.604 -5.400 -4.373 1.00 0.00 H new ATOM 1146 N GLU A 79 -12.004 -3.724 -5.285 1.00 0.00 N ATOM 1147 CA GLU A 79 -12.247 -2.723 -4.253 1.00 0.00 C ATOM 1148 C GLU A 79 -11.641 -1.378 -4.646 1.00 0.00 C ATOM 1149 O GLU A 79 -12.246 -0.327 -4.433 1.00 0.00 O ATOM 1150 CB GLU A 79 -11.666 -3.185 -2.916 1.00 0.00 C ATOM 1151 CG GLU A 79 -12.644 -3.982 -2.070 1.00 0.00 C ATOM 1152 CD GLU A 79 -13.956 -3.253 -1.852 1.00 0.00 C ATOM 1153 OE1 GLU A 79 -14.008 -2.377 -0.964 1.00 0.00 O ATOM 1154 OE2 GLU A 79 -14.930 -3.559 -2.571 1.00 0.00 O ATOM 0 H GLU A 79 -11.448 -4.522 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.325 -2.600 -4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.782 -3.794 -3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.337 -2.312 -2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.840 -4.939 -2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.189 -4.200 -1.104 1.00 0.00 H new ATOM 1161 N ILE A 80 -10.443 -1.421 -5.219 1.00 0.00 N ATOM 1162 CA ILE A 80 -9.755 -0.208 -5.642 1.00 0.00 C ATOM 1163 C ILE A 80 -10.545 0.524 -6.722 1.00 0.00 C ATOM 1164 O ILE A 80 -10.783 1.728 -6.623 1.00 0.00 O ATOM 1165 CB ILE A 80 -8.344 -0.517 -6.175 1.00 0.00 C ATOM 1166 CG1 ILE A 80 -7.446 -1.021 -5.043 1.00 0.00 C ATOM 1167 CG2 ILE A 80 -7.740 0.719 -6.826 1.00 0.00 C ATOM 1168 CD1 ILE A 80 -6.150 -1.633 -5.526 1.00 0.00 C ATOM 0 H ILE A 80 -9.929 -2.283 -5.401 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.670 0.429 -4.762 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.421 -1.300 -6.929 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.219 -0.191 -4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.993 -1.762 -4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.743 0.484 -7.198 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.371 1.038 -7.656 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.674 1.522 -6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.565 -1.968 -4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.368 -2.484 -6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.582 -0.889 -6.085 1.00 0.00 H new ATOM 1180 N ARG A 81 -10.950 -0.212 -7.752 1.00 0.00 N ATOM 1181 CA ARG A 81 -11.714 0.367 -8.850 1.00 0.00 C ATOM 1182 C ARG A 81 -13.096 0.809 -8.378 1.00 0.00 C ATOM 1183 O ARG A 81 -13.748 1.633 -9.019 1.00 0.00 O ATOM 1184 CB ARG A 81 -11.852 -0.642 -9.991 1.00 0.00 C ATOM 1185 CG ARG A 81 -12.880 -1.729 -9.723 1.00 0.00 C ATOM 1186 CD ARG A 81 -13.423 -2.315 -11.017 1.00 0.00 C ATOM 1187 NE ARG A 81 -14.018 -3.633 -10.813 1.00 0.00 N ATOM 1188 CZ ARG A 81 -13.312 -4.756 -10.750 1.00 0.00 C ATOM 1189 NH1 ARG A 81 -11.993 -4.722 -10.873 1.00 0.00 N ATOM 1190 NH2 ARG A 81 -13.927 -5.917 -10.563 1.00 0.00 N ATOM 0 H ARG A 81 -10.762 -1.210 -7.849 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.175 1.243 -9.211 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.126 -0.111 -10.903 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -10.883 -1.107 -10.172 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -12.427 -2.520 -9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.701 -1.318 -9.136 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.170 -1.641 -11.435 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -12.617 -2.390 -11.747 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.031 -3.694 -10.713 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.517 -3.831 -11.017 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.454 -5.586 -10.824 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.942 -5.947 -10.468 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.385 -6.779 -10.515 1.00 0.00 H new ATOM 1204 N SER A 82 -13.537 0.254 -7.253 1.00 0.00 N ATOM 1205 CA SER A 82 -14.843 0.587 -6.697 1.00 0.00 C ATOM 1206 C SER A 82 -14.938 2.078 -6.389 1.00 0.00 C ATOM 1207 O SER A 82 -15.990 2.694 -6.566 1.00 0.00 O ATOM 1208 CB SER A 82 -15.103 -0.226 -5.427 1.00 0.00 C ATOM 1209 OG SER A 82 -14.575 0.428 -4.286 1.00 0.00 O ATOM 0 H SER A 82 -13.009 -0.428 -6.709 1.00 0.00 H new ATOM 0 HA SER A 82 -15.601 0.338 -7.440 1.00 0.00 H new ATOM 0 HB2 SER A 82 -16.175 -0.376 -5.301 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.652 -1.214 -5.525 1.00 0.00 H new ATOM 0 HG SER A 82 -13.696 0.052 -4.071 1.00 0.00 H new ATOM 1215 N CYS A 83 -13.833 2.651 -5.926 1.00 0.00 N ATOM 1216 CA CYS A 83 -13.790 4.070 -5.591 1.00 0.00 C ATOM 1217 C CYS A 83 -12.830 4.817 -6.511 1.00 0.00 C ATOM 1218 O CYS A 83 -11.613 4.796 -6.327 1.00 0.00 O ATOM 1219 CB CYS A 83 -13.370 4.259 -4.133 1.00 0.00 C ATOM 1220 SG CYS A 83 -14.749 4.285 -2.964 1.00 0.00 S ATOM 0 H CYS A 83 -12.955 2.155 -5.774 1.00 0.00 H new ATOM 0 HA CYS A 83 -14.790 4.481 -5.729 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -12.688 3.455 -3.856 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -12.815 5.193 -4.044 1.00 0.00 H new ATOM 0 HG CYS A 83 -14.292 4.447 -1.758 1.00 0.00 H new ATOM 1226 N PRO A 84 -13.388 5.493 -7.526 1.00 0.00 N ATOM 1227 CA PRO A 84 -12.599 6.258 -8.496 1.00 0.00 C ATOM 1228 C PRO A 84 -11.975 7.506 -7.880 1.00 0.00 C ATOM 1229 O PRO A 84 -10.776 7.747 -8.023 1.00 0.00 O ATOM 1230 CB PRO A 84 -13.626 6.645 -9.563 1.00 0.00 C ATOM 1231 CG PRO A 84 -14.934 6.640 -8.849 1.00 0.00 C ATOM 1232 CD PRO A 84 -14.832 5.562 -7.806 1.00 0.00 C ATOM 0 HA PRO A 84 -11.759 5.681 -8.883 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.409 7.627 -9.984 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.624 5.935 -10.390 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.132 7.609 -8.391 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.754 6.440 -9.538 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.403 5.813 -6.912 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.216 4.610 -8.173 1.00 0.00 H new ATOM 1240 N SER A 85 -12.795 8.295 -7.193 1.00 0.00 N ATOM 1241 CA SER A 85 -12.324 9.519 -6.558 1.00 0.00 C ATOM 1242 C SER A 85 -10.984 9.291 -5.864 1.00 0.00 C ATOM 1243 O SER A 85 -9.939 9.712 -6.358 1.00 0.00 O ATOM 1244 CB SER A 85 -13.355 10.024 -5.546 1.00 0.00 C ATOM 1245 OG SER A 85 -14.536 10.460 -6.196 1.00 0.00 O ATOM 0 H SER A 85 -13.789 8.108 -7.062 1.00 0.00 H new ATOM 0 HA SER A 85 -12.188 10.272 -7.335 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.597 9.229 -4.841 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.930 10.845 -4.968 1.00 0.00 H new ATOM 0 HG SER A 85 -15.179 10.776 -5.528 1.00 0.00 H new ATOM 1251 N GLU A 86 -11.025 8.621 -4.717 1.00 0.00 N ATOM 1252 CA GLU A 86 -9.815 8.337 -3.955 1.00 0.00 C ATOM 1253 C GLU A 86 -9.837 6.912 -3.410 1.00 0.00 C ATOM 1254 O GLU A 86 -10.884 6.266 -3.375 1.00 0.00 O ATOM 1255 CB GLU A 86 -9.665 9.333 -2.803 1.00 0.00 C ATOM 1256 CG GLU A 86 -8.936 10.608 -3.192 1.00 0.00 C ATOM 1257 CD GLU A 86 -9.400 11.812 -2.395 1.00 0.00 C ATOM 1258 OE1 GLU A 86 -9.153 11.845 -1.171 1.00 0.00 O ATOM 1259 OE2 GLU A 86 -10.009 12.722 -2.995 1.00 0.00 O ATOM 0 H GLU A 86 -11.883 8.265 -4.295 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.962 8.438 -4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.655 9.591 -2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.128 8.852 -1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.865 10.469 -3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.088 10.799 -4.254 1.00 0.00 H new ATOM 1266 N ILE A 87 -8.674 6.429 -2.986 1.00 0.00 N ATOM 1267 CA ILE A 87 -8.559 5.082 -2.442 1.00 0.00 C ATOM 1268 C ILE A 87 -7.591 5.044 -1.265 1.00 0.00 C ATOM 1269 O ILE A 87 -6.480 5.571 -1.345 1.00 0.00 O ATOM 1270 CB ILE A 87 -8.087 4.081 -3.513 1.00 0.00 C ATOM 1271 CG1 ILE A 87 -6.836 4.607 -4.218 1.00 0.00 C ATOM 1272 CG2 ILE A 87 -9.198 3.819 -4.519 1.00 0.00 C ATOM 1273 CD1 ILE A 87 -5.917 3.513 -4.715 1.00 0.00 C ATOM 0 H ILE A 87 -7.798 6.951 -3.009 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.553 4.794 -2.100 1.00 0.00 H new ATOM 0 HB ILE A 87 -7.837 3.140 -3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.138 5.228 -5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.285 5.249 -3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.849 3.110 -5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.065 3.405 -4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.477 4.754 -5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.051 3.959 -5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.585 2.906 -3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.452 2.884 -5.427 1.00 0.00 H new ATOM 1285 N ILE A 88 -8.018 4.418 -0.174 1.00 0.00 N ATOM 1286 CA ILE A 88 -7.187 4.309 1.019 1.00 0.00 C ATOM 1287 C ILE A 88 -6.531 2.935 1.109 1.00 0.00 C ATOM 1288 O ILE A 88 -7.173 1.952 1.484 1.00 0.00 O ATOM 1289 CB ILE A 88 -8.004 4.560 2.299 1.00 0.00 C ATOM 1290 CG1 ILE A 88 -8.713 5.914 2.221 1.00 0.00 C ATOM 1291 CG2 ILE A 88 -7.103 4.498 3.524 1.00 0.00 C ATOM 1292 CD1 ILE A 88 -7.766 7.083 2.063 1.00 0.00 C ATOM 0 H ILE A 88 -8.935 3.978 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.414 5.073 0.936 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.760 3.780 2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -9.408 5.903 1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -9.307 6.057 3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.696 4.678 4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.640 3.513 3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.327 5.259 3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -8.337 8.010 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.087 7.119 2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -7.190 6.963 1.145 1.00 0.00 H new ATOM 1304 N LEU A 89 -5.250 2.873 0.764 1.00 0.00 N ATOM 1305 CA LEU A 89 -4.506 1.619 0.807 1.00 0.00 C ATOM 1306 C LEU A 89 -3.416 1.669 1.873 1.00 0.00 C ATOM 1307 O LEU A 89 -2.638 2.623 1.937 1.00 0.00 O ATOM 1308 CB LEU A 89 -3.885 1.324 -0.559 1.00 0.00 C ATOM 1309 CG LEU A 89 -2.933 2.386 -1.108 1.00 0.00 C ATOM 1310 CD1 LEU A 89 -1.951 1.767 -2.091 1.00 0.00 C ATOM 1311 CD2 LEU A 89 -3.714 3.512 -1.770 1.00 0.00 C ATOM 0 H LEU A 89 -4.705 3.676 0.451 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.203 0.821 1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.345 0.380 -0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.691 1.181 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.367 2.804 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.282 2.539 -2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.368 0.997 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.499 1.321 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.020 4.259 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.307 3.110 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.376 3.975 -1.038 1.00 0.00 H new ATOM 1323 N LEU A 90 -3.363 0.637 2.707 1.00 0.00 N ATOM 1324 CA LEU A 90 -2.366 0.562 3.770 1.00 0.00 C ATOM 1325 C LEU A 90 -1.352 -0.543 3.488 1.00 0.00 C ATOM 1326 O LEU A 90 -1.717 -1.707 3.322 1.00 0.00 O ATOM 1327 CB LEU A 90 -3.046 0.314 5.117 1.00 0.00 C ATOM 1328 CG LEU A 90 -2.114 0.084 6.307 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -1.673 1.411 6.905 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -2.796 -0.777 7.360 1.00 0.00 C ATOM 0 H LEU A 90 -3.999 -0.160 2.668 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.837 1.514 3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.685 1.168 5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.697 -0.554 5.018 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.228 -0.443 5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.010 1.227 7.751 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.144 1.993 6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.548 1.966 7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.118 -0.930 8.200 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.699 -0.277 7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.060 -1.741 6.926 1.00 0.00 H new ATOM 1342 N VAL A 91 -0.077 -0.170 3.438 1.00 0.00 N ATOM 1343 CA VAL A 91 0.990 -1.129 3.180 1.00 0.00 C ATOM 1344 C VAL A 91 2.027 -1.111 4.297 1.00 0.00 C ATOM 1345 O VAL A 91 2.011 -0.231 5.158 1.00 0.00 O ATOM 1346 CB VAL A 91 1.691 -0.842 1.839 1.00 0.00 C ATOM 1347 CG1 VAL A 91 0.726 -1.039 0.679 1.00 0.00 C ATOM 1348 CG2 VAL A 91 2.268 0.565 1.830 1.00 0.00 C ATOM 0 H VAL A 91 0.242 0.789 3.573 1.00 0.00 H new ATOM 0 HA VAL A 91 0.526 -2.114 3.135 1.00 0.00 H new ATOM 0 HB VAL A 91 2.513 -1.548 1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.239 -0.832 -0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.366 -2.068 0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.119 -0.359 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.760 0.751 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.465 1.288 1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.994 0.666 2.637 1.00 0.00 H new ATOM 1358 N TRP A 92 2.928 -2.086 4.276 1.00 0.00 N ATOM 1359 CA TRP A 92 3.974 -2.182 5.288 1.00 0.00 C ATOM 1360 C TRP A 92 5.320 -1.740 4.723 1.00 0.00 C ATOM 1361 O TRP A 92 5.723 -2.174 3.643 1.00 0.00 O ATOM 1362 CB TRP A 92 4.074 -3.614 5.814 1.00 0.00 C ATOM 1363 CG TRP A 92 5.358 -3.895 6.535 1.00 0.00 C ATOM 1364 CD1 TRP A 92 6.549 -4.261 5.975 1.00 0.00 C ATOM 1365 CD2 TRP A 92 5.578 -3.833 7.948 1.00 0.00 C ATOM 1366 NE1 TRP A 92 7.496 -4.430 6.956 1.00 0.00 N ATOM 1367 CE2 TRP A 92 6.927 -4.173 8.175 1.00 0.00 C ATOM 1368 CE3 TRP A 92 4.769 -3.522 9.044 1.00 0.00 C ATOM 1369 CZ2 TRP A 92 7.480 -4.212 9.452 1.00 0.00 C ATOM 1370 CZ3 TRP A 92 5.320 -3.561 10.311 1.00 0.00 C ATOM 1371 CH2 TRP A 92 6.665 -3.903 10.506 1.00 0.00 C ATOM 0 H TRP A 92 2.956 -2.821 3.570 1.00 0.00 H new ATOM 0 HA TRP A 92 3.710 -1.518 6.111 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.238 -3.805 6.487 1.00 0.00 H new ATOM 0 HB3 TRP A 92 3.975 -4.308 4.979 1.00 0.00 H new ATOM 0 HD1 TRP A 92 6.721 -4.397 4.918 1.00 0.00 H new ATOM 0 HE1 TRP A 92 8.467 -4.703 6.801 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.732 -3.256 8.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 8.516 -4.477 9.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 4.703 -3.324 11.165 1.00 0.00 H new ATOM 0 HH2 TRP A 92 7.066 -3.923 11.509 1.00 0.00 H new ATOM 1382 N ARG A 93 6.011 -0.876 5.459 1.00 0.00 N ATOM 1383 CA ARG A 93 7.311 -0.375 5.029 1.00 0.00 C ATOM 1384 C ARG A 93 8.338 -0.495 6.152 1.00 0.00 C ATOM 1385 O ARG A 93 8.000 -0.384 7.331 1.00 0.00 O ATOM 1386 CB ARG A 93 7.197 1.083 4.581 1.00 0.00 C ATOM 1387 CG ARG A 93 8.277 1.504 3.598 1.00 0.00 C ATOM 1388 CD ARG A 93 7.930 2.819 2.918 1.00 0.00 C ATOM 1389 NE ARG A 93 6.767 2.693 2.044 1.00 0.00 N ATOM 1390 CZ ARG A 93 6.340 3.663 1.244 1.00 0.00 C ATOM 1391 NH1 ARG A 93 6.976 4.826 1.209 1.00 0.00 N ATOM 1392 NH2 ARG A 93 5.274 3.472 0.478 1.00 0.00 N ATOM 0 H ARG A 93 5.693 -0.508 6.356 1.00 0.00 H new ATOM 0 HA ARG A 93 7.646 -0.981 4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.220 1.238 4.123 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.244 1.729 5.458 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.228 1.604 4.121 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.408 0.727 2.845 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.734 3.578 3.675 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.785 3.163 2.336 1.00 0.00 H new ATOM 0 HE ARG A 93 6.254 1.811 2.048 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.795 4.977 1.797 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.646 5.569 0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.781 2.579 0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.947 4.218 -0.136 1.00 0.00 H new ATOM 1406 N VAL A 94 9.593 -0.723 5.778 1.00 0.00 N ATOM 1407 CA VAL A 94 10.669 -0.858 6.753 1.00 0.00 C ATOM 1408 C VAL A 94 11.638 0.316 6.667 1.00 0.00 C ATOM 1409 O VAL A 94 12.238 0.563 5.621 1.00 0.00 O ATOM 1410 CB VAL A 94 11.449 -2.170 6.549 1.00 0.00 C ATOM 1411 CG1 VAL A 94 12.593 -2.271 7.547 1.00 0.00 C ATOM 1412 CG2 VAL A 94 10.518 -3.367 6.669 1.00 0.00 C ATOM 0 H VAL A 94 9.890 -0.818 4.807 1.00 0.00 H new ATOM 0 HA VAL A 94 10.204 -0.870 7.739 1.00 0.00 H new ATOM 0 HB VAL A 94 11.873 -2.169 5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.133 -3.204 7.388 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.273 -1.430 7.408 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.194 -2.251 8.561 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.086 -4.286 6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.063 -3.376 7.659 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.737 -3.298 5.912 1.00 0.00 H new