USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 393 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 33 GLN : amide:sc= -0.0299 K(o=-0.047,f=-7.1!) USER MOD Set 1.2: A 60 LYS NZ :NH3+ -166:sc= -0.0167 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.379 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot 57:sc= 0.0306 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0576 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -76:sc= 0.286 USER MOD Single : A 67 SER OG : rot 180:sc=-0.00233 USER MOD Single : A 75 LYS NZ :NH3+ -158:sc= 0.242 (180deg=0.0909) USER MOD ----------------------------------------------------------------- ATOM 168 N PHE A 14 8.884 0.877 -21.415 1.00 0.00 N ATOM 169 CA PHE A 14 9.499 0.226 -20.264 1.00 0.00 C ATOM 170 C PHE A 14 8.488 -0.649 -19.529 1.00 0.00 C ATOM 171 O PHE A 14 7.336 -0.258 -19.340 1.00 0.00 O ATOM 172 CB PHE A 14 10.076 1.273 -19.308 1.00 0.00 C ATOM 173 CG PHE A 14 11.442 1.756 -19.701 1.00 0.00 C ATOM 174 CD1 PHE A 14 11.646 2.381 -20.921 1.00 0.00 C ATOM 175 CD2 PHE A 14 12.523 1.585 -18.851 1.00 0.00 C ATOM 176 CE1 PHE A 14 12.903 2.826 -21.285 1.00 0.00 C ATOM 177 CE2 PHE A 14 13.782 2.028 -19.210 1.00 0.00 C ATOM 178 CZ PHE A 14 13.972 2.650 -20.428 1.00 0.00 C ATOM 0 HA PHE A 14 10.307 -0.410 -20.626 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.397 2.125 -19.263 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.124 0.850 -18.305 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.814 2.522 -21.595 1.00 0.00 H new ATOM 0 HD2 PHE A 14 12.380 1.100 -17.897 1.00 0.00 H new ATOM 0 HE1 PHE A 14 13.049 3.311 -22.239 1.00 0.00 H new ATOM 0 HE2 PHE A 14 14.616 1.888 -18.539 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.955 2.998 -20.710 1.00 0.00 H new ATOM 188 N ILE A 15 8.928 -1.833 -19.118 1.00 0.00 N ATOM 189 CA ILE A 15 8.062 -2.763 -18.404 1.00 0.00 C ATOM 190 C ILE A 15 8.498 -2.914 -16.950 1.00 0.00 C ATOM 191 O ILE A 15 9.690 -2.910 -16.644 1.00 0.00 O ATOM 192 CB ILE A 15 8.053 -4.151 -19.072 1.00 0.00 C ATOM 193 CG1 ILE A 15 7.058 -5.074 -18.367 1.00 0.00 C ATOM 194 CG2 ILE A 15 9.449 -4.756 -19.054 1.00 0.00 C ATOM 195 CD1 ILE A 15 6.902 -6.421 -19.038 1.00 0.00 C ATOM 0 H ILE A 15 9.879 -2.171 -19.267 1.00 0.00 H new ATOM 0 HA ILE A 15 7.055 -2.346 -18.438 1.00 0.00 H new ATOM 0 HB ILE A 15 7.741 -4.036 -20.110 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.382 -5.226 -17.337 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.086 -4.583 -18.326 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.427 -5.737 -19.529 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.135 -4.105 -19.597 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.787 -4.860 -18.023 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.181 -7.022 -18.484 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.548 -6.280 -20.059 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.864 -6.933 -19.055 1.00 0.00 H new ATOM 207 N THR A 16 7.522 -3.048 -16.057 1.00 0.00 N ATOM 208 CA THR A 16 7.804 -3.201 -14.635 1.00 0.00 C ATOM 209 C THR A 16 8.483 -4.535 -14.350 1.00 0.00 C ATOM 210 O THR A 16 8.255 -5.521 -15.049 1.00 0.00 O ATOM 211 CB THR A 16 6.517 -3.102 -13.794 1.00 0.00 C ATOM 212 OG1 THR A 16 5.373 -3.057 -14.653 1.00 0.00 O ATOM 213 CG2 THR A 16 6.543 -1.865 -12.909 1.00 0.00 C ATOM 0 H THR A 16 6.530 -3.054 -16.293 1.00 0.00 H new ATOM 0 HA THR A 16 8.475 -2.389 -14.356 1.00 0.00 H new ATOM 0 HB THR A 16 6.457 -3.984 -13.156 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.559 -2.996 -14.111 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.624 -1.816 -12.325 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.399 -1.917 -12.236 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.625 -0.974 -13.531 1.00 0.00 H new ATOM 221 N GLY A 17 9.320 -4.560 -13.316 1.00 0.00 N ATOM 222 CA GLY A 17 10.019 -5.779 -12.956 1.00 0.00 C ATOM 223 C GLY A 17 9.073 -6.933 -12.690 1.00 0.00 C ATOM 224 O GLY A 17 9.061 -7.918 -13.428 1.00 0.00 O ATOM 0 H GLY A 17 9.526 -3.757 -12.722 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.704 -6.052 -13.759 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.625 -5.598 -12.068 1.00 0.00 H new ATOM 228 N VAL A 18 8.279 -6.813 -11.631 1.00 0.00 N ATOM 229 CA VAL A 18 7.325 -7.854 -11.268 1.00 0.00 C ATOM 230 C VAL A 18 6.442 -8.228 -12.454 1.00 0.00 C ATOM 231 O VAL A 18 6.158 -9.403 -12.683 1.00 0.00 O ATOM 232 CB VAL A 18 6.431 -7.412 -10.095 1.00 0.00 C ATOM 233 CG1 VAL A 18 5.441 -8.510 -9.735 1.00 0.00 C ATOM 234 CG2 VAL A 18 7.280 -7.033 -8.891 1.00 0.00 C ATOM 0 H VAL A 18 8.278 -6.005 -11.009 1.00 0.00 H new ATOM 0 HA VAL A 18 7.907 -8.724 -10.963 1.00 0.00 H new ATOM 0 HB VAL A 18 5.866 -6.532 -10.403 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.818 -8.180 -8.904 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.811 -8.729 -10.597 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.985 -9.409 -9.446 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.631 -6.723 -8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.873 -7.893 -8.579 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.944 -6.211 -9.158 1.00 0.00 H new ATOM 244 N ARG A 19 6.011 -7.219 -13.204 1.00 0.00 N ATOM 245 CA ARG A 19 5.159 -7.441 -14.366 1.00 0.00 C ATOM 246 C ARG A 19 5.818 -8.408 -15.346 1.00 0.00 C ATOM 247 O ARG A 19 5.137 -9.148 -16.056 1.00 0.00 O ATOM 248 CB ARG A 19 4.859 -6.115 -15.066 1.00 0.00 C ATOM 249 CG ARG A 19 3.444 -5.610 -14.835 1.00 0.00 C ATOM 250 CD ARG A 19 2.420 -6.477 -15.550 1.00 0.00 C ATOM 251 NE ARG A 19 1.065 -6.245 -15.055 1.00 0.00 N ATOM 252 CZ ARG A 19 -0.029 -6.637 -15.697 1.00 0.00 C ATOM 253 NH1 ARG A 19 0.070 -7.278 -16.853 1.00 0.00 N ATOM 254 NH2 ARG A 19 -1.227 -6.389 -15.182 1.00 0.00 N ATOM 0 H ARG A 19 6.238 -6.240 -13.028 1.00 0.00 H new ATOM 0 HA ARG A 19 4.224 -7.881 -14.021 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.566 -5.362 -14.717 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.023 -6.234 -16.137 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.230 -5.599 -13.766 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.361 -4.582 -15.187 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.455 -6.272 -16.620 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.679 -7.528 -15.418 1.00 0.00 H new ATOM 0 HE ARG A 19 0.953 -5.755 -14.167 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.989 -7.471 -17.252 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.772 -7.578 -17.344 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.308 -5.897 -14.292 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.067 -6.691 -15.676 1.00 0.00 H new ATOM 268 N ALA A 20 7.146 -8.396 -15.379 1.00 0.00 N ATOM 269 CA ALA A 20 7.896 -9.272 -16.270 1.00 0.00 C ATOM 270 C ALA A 20 8.106 -10.645 -15.641 1.00 0.00 C ATOM 271 O ALA A 20 8.224 -11.649 -16.345 1.00 0.00 O ATOM 272 CB ALA A 20 9.235 -8.642 -16.626 1.00 0.00 C ATOM 0 H ALA A 20 7.725 -7.789 -14.799 1.00 0.00 H new ATOM 0 HA ALA A 20 7.315 -9.404 -17.183 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.785 -9.307 -17.292 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.067 -7.687 -17.124 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.814 -8.480 -15.717 1.00 0.00 H new ATOM 278 N ILE A 21 8.153 -10.682 -14.314 1.00 0.00 N ATOM 279 CA ILE A 21 8.349 -11.932 -13.591 1.00 0.00 C ATOM 280 C ILE A 21 7.103 -12.809 -13.662 1.00 0.00 C ATOM 281 O ILE A 21 7.185 -14.031 -13.550 1.00 0.00 O ATOM 282 CB ILE A 21 8.701 -11.679 -12.113 1.00 0.00 C ATOM 283 CG1 ILE A 21 9.966 -10.825 -12.007 1.00 0.00 C ATOM 284 CG2 ILE A 21 8.883 -12.999 -11.379 1.00 0.00 C ATOM 285 CD1 ILE A 21 10.177 -10.226 -10.634 1.00 0.00 C ATOM 0 H ILE A 21 8.058 -9.860 -13.717 1.00 0.00 H new ATOM 0 HA ILE A 21 9.181 -12.447 -14.071 1.00 0.00 H new ATOM 0 HB ILE A 21 7.879 -11.137 -11.646 1.00 0.00 H new ATOM 0 HG12 ILE A 21 10.830 -11.437 -12.264 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.915 -10.021 -12.741 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.131 -12.804 -10.336 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.959 -13.574 -11.430 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.690 -13.566 -11.844 1.00 0.00 H new ATOM 0 HD11 ILE A 21 11.092 -9.634 -10.632 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.331 -9.587 -10.382 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.261 -11.025 -9.897 1.00 0.00 H new ATOM 297 N ASN A 22 5.950 -12.175 -13.851 1.00 0.00 N ATOM 298 CA ASN A 22 4.686 -12.898 -13.939 1.00 0.00 C ATOM 299 C ASN A 22 4.359 -13.248 -15.387 1.00 0.00 C ATOM 300 O ASN A 22 3.653 -14.219 -15.657 1.00 0.00 O ATOM 301 CB ASN A 22 3.555 -12.063 -13.336 1.00 0.00 C ATOM 302 CG ASN A 22 3.403 -12.286 -11.844 1.00 0.00 C ATOM 303 OD1 ASN A 22 2.477 -12.962 -11.397 1.00 0.00 O ATOM 304 ND2 ASN A 22 4.316 -11.716 -11.065 1.00 0.00 N ATOM 0 H ASN A 22 5.865 -11.163 -13.946 1.00 0.00 H new ATOM 0 HA ASN A 22 4.786 -13.825 -13.374 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.747 -11.007 -13.525 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.618 -12.311 -13.835 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.266 -11.831 -10.053 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.067 -11.164 -11.479 1.00 0.00 H new ATOM 311 N GLU A 23 4.878 -12.449 -16.315 1.00 0.00 N ATOM 312 CA GLU A 23 4.640 -12.675 -17.736 1.00 0.00 C ATOM 313 C GLU A 23 5.691 -13.614 -18.321 1.00 0.00 C ATOM 314 O GLU A 23 5.366 -14.680 -18.844 1.00 0.00 O ATOM 315 CB GLU A 23 4.649 -11.347 -18.495 1.00 0.00 C ATOM 316 CG GLU A 23 3.482 -10.438 -18.145 1.00 0.00 C ATOM 317 CD GLU A 23 2.453 -10.356 -19.256 1.00 0.00 C ATOM 318 OE1 GLU A 23 2.850 -10.122 -20.416 1.00 0.00 O ATOM 319 OE2 GLU A 23 1.251 -10.525 -18.964 1.00 0.00 O ATOM 0 H GLU A 23 5.465 -11.641 -16.108 1.00 0.00 H new ATOM 0 HA GLU A 23 3.660 -13.141 -17.844 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.582 -10.824 -18.284 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.632 -11.550 -19.566 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.002 -10.802 -17.237 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.858 -9.438 -17.928 1.00 0.00 H new ATOM 326 N PHE A 24 6.954 -13.210 -18.228 1.00 0.00 N ATOM 327 CA PHE A 24 8.054 -14.014 -18.749 1.00 0.00 C ATOM 328 C PHE A 24 8.319 -15.219 -17.852 1.00 0.00 C ATOM 329 O PHE A 24 8.990 -16.171 -18.254 1.00 0.00 O ATOM 330 CB PHE A 24 9.321 -13.165 -18.869 1.00 0.00 C ATOM 331 CG PHE A 24 9.213 -12.069 -19.890 1.00 0.00 C ATOM 332 CD1 PHE A 24 8.673 -10.839 -19.551 1.00 0.00 C ATOM 333 CD2 PHE A 24 9.652 -12.268 -21.189 1.00 0.00 C ATOM 334 CE1 PHE A 24 8.572 -9.828 -20.489 1.00 0.00 C ATOM 335 CE2 PHE A 24 9.554 -11.261 -22.131 1.00 0.00 C ATOM 336 CZ PHE A 24 9.014 -10.039 -21.780 1.00 0.00 C ATOM 0 H PHE A 24 7.241 -12.331 -17.797 1.00 0.00 H new ATOM 0 HA PHE A 24 7.771 -14.375 -19.738 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.547 -12.725 -17.898 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.159 -13.812 -19.129 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.327 -10.668 -18.542 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.076 -13.221 -21.469 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.148 -8.874 -20.212 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.899 -11.430 -23.140 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.938 -9.250 -22.514 1.00 0.00 H new ATOM 346 N CYS A 25 7.789 -15.171 -16.635 1.00 0.00 N ATOM 347 CA CYS A 25 7.969 -16.258 -15.679 1.00 0.00 C ATOM 348 C CYS A 25 9.450 -16.494 -15.396 1.00 0.00 C ATOM 349 O CYS A 25 9.978 -17.576 -15.658 1.00 0.00 O ATOM 350 CB CYS A 25 7.328 -17.542 -16.207 1.00 0.00 C ATOM 351 SG CYS A 25 5.551 -17.406 -16.516 1.00 0.00 S ATOM 0 H CYS A 25 7.231 -14.391 -16.287 1.00 0.00 H new ATOM 0 HA CYS A 25 7.480 -15.973 -14.747 1.00 0.00 H new ATOM 0 HB2 CYS A 25 7.826 -17.830 -17.133 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.501 -18.344 -15.489 1.00 0.00 H new ATOM 0 HG CYS A 25 5.329 -16.439 -17.356 1.00 0.00 H new ATOM 357 N LEU A 26 10.114 -15.475 -14.863 1.00 0.00 N ATOM 358 CA LEU A 26 11.535 -15.571 -14.546 1.00 0.00 C ATOM 359 C LEU A 26 11.760 -15.540 -13.037 1.00 0.00 C ATOM 360 O LEU A 26 10.811 -15.609 -12.256 1.00 0.00 O ATOM 361 CB LEU A 26 12.304 -14.428 -15.211 1.00 0.00 C ATOM 362 CG LEU A 26 12.004 -14.189 -16.691 1.00 0.00 C ATOM 363 CD1 LEU A 26 12.347 -12.760 -17.082 1.00 0.00 C ATOM 364 CD2 LEU A 26 12.769 -15.179 -17.557 1.00 0.00 C ATOM 0 H LEU A 26 9.692 -14.573 -14.641 1.00 0.00 H new ATOM 0 HA LEU A 26 11.904 -16.522 -14.930 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.093 -13.509 -14.665 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.371 -14.624 -15.104 1.00 0.00 H new ATOM 0 HG LEU A 26 10.937 -14.342 -16.855 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.127 -12.609 -18.139 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.754 -12.067 -16.485 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.407 -12.578 -16.903 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.543 -14.994 -18.607 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.839 -15.058 -17.389 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.473 -16.195 -17.296 1.00 0.00 H new ATOM 376 N LYS A 27 13.022 -15.434 -12.635 1.00 0.00 N ATOM 377 CA LYS A 27 13.373 -15.390 -11.220 1.00 0.00 C ATOM 378 C LYS A 27 13.810 -13.987 -10.811 1.00 0.00 C ATOM 379 O LYS A 27 14.185 -13.173 -11.655 1.00 0.00 O ATOM 380 CB LYS A 27 14.490 -16.392 -10.920 1.00 0.00 C ATOM 381 CG LYS A 27 13.983 -17.768 -10.526 1.00 0.00 C ATOM 382 CD LYS A 27 14.412 -18.828 -11.528 1.00 0.00 C ATOM 383 CE LYS A 27 13.508 -20.050 -11.468 1.00 0.00 C ATOM 384 NZ LYS A 27 13.904 -20.979 -10.374 1.00 0.00 N ATOM 0 H LYS A 27 13.819 -15.377 -13.269 1.00 0.00 H new ATOM 0 HA LYS A 27 12.488 -15.658 -10.643 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.127 -16.487 -11.799 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.112 -15.999 -10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.361 -18.027 -9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.895 -17.750 -10.457 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.392 -18.409 -12.534 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.441 -19.125 -11.327 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.476 -19.732 -11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.544 -20.576 -12.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.264 -21.799 -10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.880 -21.303 -10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.845 -20.485 -9.461 1.00 0.00 H new ATOM 398 N SER A 28 13.760 -13.712 -9.512 1.00 0.00 N ATOM 399 CA SER A 28 14.149 -12.406 -8.992 1.00 0.00 C ATOM 400 C SER A 28 15.619 -12.121 -9.284 1.00 0.00 C ATOM 401 O SER A 28 16.002 -10.979 -9.541 1.00 0.00 O ATOM 402 CB SER A 28 13.895 -12.338 -7.485 1.00 0.00 C ATOM 403 OG SER A 28 12.586 -11.868 -7.209 1.00 0.00 O ATOM 0 H SER A 28 13.454 -14.376 -8.800 1.00 0.00 H new ATOM 0 HA SER A 28 13.544 -11.649 -9.490 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.030 -13.326 -7.045 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.627 -11.679 -7.019 1.00 0.00 H new ATOM 0 HG SER A 28 12.448 -11.835 -6.239 1.00 0.00 H new ATOM 409 N SER A 29 16.438 -13.167 -9.243 1.00 0.00 N ATOM 410 CA SER A 29 17.867 -13.029 -9.499 1.00 0.00 C ATOM 411 C SER A 29 18.128 -12.736 -10.974 1.00 0.00 C ATOM 412 O SER A 29 19.136 -12.123 -11.327 1.00 0.00 O ATOM 413 CB SER A 29 18.606 -14.302 -9.082 1.00 0.00 C ATOM 414 OG SER A 29 17.843 -15.055 -8.156 1.00 0.00 O ATOM 0 H SER A 29 16.137 -14.119 -9.035 1.00 0.00 H new ATOM 0 HA SER A 29 18.238 -12.192 -8.908 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.817 -14.909 -9.963 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.566 -14.040 -8.638 1.00 0.00 H new ATOM 0 HG SER A 29 18.337 -15.864 -7.907 1.00 0.00 H new ATOM 420 N ASP A 30 17.214 -13.178 -11.830 1.00 0.00 N ATOM 421 CA ASP A 30 17.343 -12.963 -13.266 1.00 0.00 C ATOM 422 C ASP A 30 17.082 -11.503 -13.622 1.00 0.00 C ATOM 423 O ASP A 30 17.903 -10.855 -14.273 1.00 0.00 O ATOM 424 CB ASP A 30 16.375 -13.868 -14.028 1.00 0.00 C ATOM 425 CG ASP A 30 16.696 -15.339 -13.851 1.00 0.00 C ATOM 426 OD1 ASP A 30 17.536 -15.663 -12.985 1.00 0.00 O ATOM 427 OD2 ASP A 30 16.107 -16.166 -14.578 1.00 0.00 O ATOM 0 H ASP A 30 16.375 -13.688 -11.554 1.00 0.00 H new ATOM 0 HA ASP A 30 18.364 -13.212 -13.556 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.358 -13.677 -13.685 1.00 0.00 H new ATOM 0 HB3 ASP A 30 16.406 -13.617 -15.088 1.00 0.00 H new ATOM 432 N LEU A 31 15.934 -10.991 -13.193 1.00 0.00 N ATOM 433 CA LEU A 31 15.563 -9.607 -13.468 1.00 0.00 C ATOM 434 C LEU A 31 16.662 -8.649 -13.018 1.00 0.00 C ATOM 435 O LEU A 31 17.132 -7.820 -13.797 1.00 0.00 O ATOM 436 CB LEU A 31 14.250 -9.261 -12.763 1.00 0.00 C ATOM 437 CG LEU A 31 12.969 -9.602 -13.526 1.00 0.00 C ATOM 438 CD1 LEU A 31 12.814 -8.700 -14.740 1.00 0.00 C ATOM 439 CD2 LEU A 31 12.971 -11.066 -13.943 1.00 0.00 C ATOM 0 H LEU A 31 15.244 -11.513 -12.653 1.00 0.00 H new ATOM 0 HA LEU A 31 15.430 -9.499 -14.545 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.228 -9.780 -11.805 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.247 -8.193 -12.547 1.00 0.00 H new ATOM 0 HG LEU A 31 12.119 -9.434 -12.864 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.897 -8.958 -15.270 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.766 -7.660 -14.417 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.667 -8.835 -15.405 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.052 -11.291 -14.485 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.829 -11.260 -14.587 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.033 -11.697 -13.056 1.00 0.00 H new ATOM 451 N GLU A 32 17.068 -8.772 -11.758 1.00 0.00 N ATOM 452 CA GLU A 32 18.113 -7.918 -11.207 1.00 0.00 C ATOM 453 C GLU A 32 19.379 -7.989 -12.056 1.00 0.00 C ATOM 454 O GLU A 32 20.153 -7.034 -12.115 1.00 0.00 O ATOM 455 CB GLU A 32 18.429 -8.326 -9.766 1.00 0.00 C ATOM 456 CG GLU A 32 18.996 -9.730 -9.642 1.00 0.00 C ATOM 457 CD GLU A 32 19.532 -10.022 -8.254 1.00 0.00 C ATOM 458 OE1 GLU A 32 19.117 -9.332 -7.300 1.00 0.00 O ATOM 459 OE2 GLU A 32 20.365 -10.943 -8.122 1.00 0.00 O ATOM 0 H GLU A 32 16.689 -9.454 -11.101 1.00 0.00 H new ATOM 0 HA GLU A 32 17.748 -6.891 -11.215 1.00 0.00 H new ATOM 0 HB2 GLU A 32 19.141 -7.617 -9.344 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.519 -8.257 -9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.219 -10.454 -9.887 1.00 0.00 H new ATOM 0 HG3 GLU A 32 19.796 -9.861 -10.371 1.00 0.00 H new ATOM 466 N GLN A 33 19.581 -9.127 -12.712 1.00 0.00 N ATOM 467 CA GLN A 33 20.753 -9.323 -13.558 1.00 0.00 C ATOM 468 C GLN A 33 20.737 -8.362 -14.742 1.00 0.00 C ATOM 469 O GLN A 33 21.785 -8.012 -15.285 1.00 0.00 O ATOM 470 CB GLN A 33 20.811 -10.767 -14.058 1.00 0.00 C ATOM 471 CG GLN A 33 22.192 -11.192 -14.530 1.00 0.00 C ATOM 472 CD GLN A 33 22.393 -12.694 -14.469 1.00 0.00 C ATOM 473 OE1 GLN A 33 21.887 -13.434 -15.313 1.00 0.00 O ATOM 474 NE2 GLN A 33 23.135 -13.152 -13.467 1.00 0.00 N ATOM 0 H GLN A 33 18.949 -9.927 -12.674 1.00 0.00 H new ATOM 0 HA GLN A 33 21.640 -9.117 -12.959 1.00 0.00 H new ATOM 0 HB2 GLN A 33 20.489 -11.433 -13.258 1.00 0.00 H new ATOM 0 HB3 GLN A 33 20.103 -10.888 -14.878 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.343 -10.850 -15.554 1.00 0.00 H new ATOM 0 HG3 GLN A 33 22.948 -10.703 -13.916 1.00 0.00 H new ATOM 0 HE21 GLN A 33 23.535 -12.502 -12.790 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.305 -14.153 -13.375 1.00 0.00 H new ATOM 483 N LEU A 34 19.541 -7.939 -15.138 1.00 0.00 N ATOM 484 CA LEU A 34 19.388 -7.018 -16.259 1.00 0.00 C ATOM 485 C LEU A 34 19.785 -5.601 -15.858 1.00 0.00 C ATOM 486 O LEU A 34 20.246 -5.368 -14.741 1.00 0.00 O ATOM 487 CB LEU A 34 17.944 -7.033 -16.763 1.00 0.00 C ATOM 488 CG LEU A 34 17.400 -8.392 -17.203 1.00 0.00 C ATOM 489 CD1 LEU A 34 15.889 -8.337 -17.362 1.00 0.00 C ATOM 490 CD2 LEU A 34 18.059 -8.834 -18.502 1.00 0.00 C ATOM 0 H LEU A 34 18.664 -8.219 -14.700 1.00 0.00 H new ATOM 0 HA LEU A 34 20.049 -7.347 -17.061 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.301 -6.645 -15.973 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.867 -6.344 -17.604 1.00 0.00 H new ATOM 0 HG LEU A 34 17.636 -9.124 -16.431 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.520 -9.314 -17.676 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.433 -8.065 -16.410 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.629 -7.592 -18.114 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.660 -9.803 -18.801 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.853 -8.101 -19.282 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.136 -8.915 -18.355 1.00 0.00 H new ATOM 502 N ARG A 35 19.599 -4.658 -16.776 1.00 0.00 N ATOM 503 CA ARG A 35 19.937 -3.263 -16.517 1.00 0.00 C ATOM 504 C ARG A 35 19.002 -2.663 -15.471 1.00 0.00 C ATOM 505 O ARG A 35 17.809 -2.488 -15.716 1.00 0.00 O ATOM 506 CB ARG A 35 19.861 -2.450 -17.811 1.00 0.00 C ATOM 507 CG ARG A 35 20.184 -0.977 -17.623 1.00 0.00 C ATOM 508 CD ARG A 35 20.305 -0.259 -18.958 1.00 0.00 C ATOM 509 NE ARG A 35 20.058 1.175 -18.833 1.00 0.00 N ATOM 510 CZ ARG A 35 20.926 2.027 -18.299 1.00 0.00 C ATOM 511 NH1 ARG A 35 22.093 1.591 -17.843 1.00 0.00 N ATOM 512 NH2 ARG A 35 20.629 3.317 -18.220 1.00 0.00 N ATOM 0 H ARG A 35 19.216 -4.834 -17.705 1.00 0.00 H new ATOM 0 HA ARG A 35 20.956 -3.227 -16.132 1.00 0.00 H new ATOM 0 HB2 ARG A 35 20.552 -2.875 -18.539 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.859 -2.543 -18.231 1.00 0.00 H new ATOM 0 HG2 ARG A 35 19.404 -0.506 -17.024 1.00 0.00 H new ATOM 0 HG3 ARG A 35 21.117 -0.876 -17.068 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.302 -0.421 -19.367 1.00 0.00 H new ATOM 0 HD3 ARG A 35 19.596 -0.688 -19.666 1.00 0.00 H new ATOM 0 HE ARG A 35 19.170 1.543 -19.175 1.00 0.00 H new ATOM 0 HH11 ARG A 35 22.325 0.600 -17.902 1.00 0.00 H new ATOM 0 HH12 ARG A 35 22.758 2.247 -17.433 1.00 0.00 H new ATOM 0 HH21 ARG A 35 19.733 3.656 -18.570 1.00 0.00 H new ATOM 0 HH22 ARG A 35 21.297 3.970 -17.810 1.00 0.00 H new ATOM 526 N LYS A 36 19.554 -2.350 -14.303 1.00 0.00 N ATOM 527 CA LYS A 36 18.771 -1.768 -13.219 1.00 0.00 C ATOM 528 C LYS A 36 18.756 -0.246 -13.314 1.00 0.00 C ATOM 529 O LYS A 36 19.518 0.436 -12.628 1.00 0.00 O ATOM 530 CB LYS A 36 19.339 -2.199 -11.865 1.00 0.00 C ATOM 531 CG LYS A 36 19.064 -3.654 -11.525 1.00 0.00 C ATOM 532 CD LYS A 36 18.638 -3.818 -10.076 1.00 0.00 C ATOM 533 CE LYS A 36 19.819 -4.167 -9.183 1.00 0.00 C ATOM 534 NZ LYS A 36 19.412 -4.316 -7.758 1.00 0.00 N ATOM 0 H LYS A 36 20.540 -2.490 -14.083 1.00 0.00 H new ATOM 0 HA LYS A 36 17.747 -2.130 -13.309 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.416 -2.031 -11.862 1.00 0.00 H new ATOM 0 HB3 LYS A 36 18.916 -1.566 -11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 36 18.283 -4.040 -12.180 1.00 0.00 H new ATOM 0 HG3 LYS A 36 19.959 -4.247 -11.711 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.176 -2.895 -9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.883 -4.601 -10.004 1.00 0.00 H new ATOM 0 HE2 LYS A 36 20.275 -5.095 -9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 36 20.578 -3.389 -9.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.245 -4.554 -7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 19.000 -3.423 -7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.706 -5.076 -7.676 1.00 0.00 H new ATOM 782 N VAL A 51 12.890 -0.911 -12.957 1.00 0.00 N ATOM 783 CA VAL A 51 12.271 -1.181 -14.249 1.00 0.00 C ATOM 784 C VAL A 51 13.278 -1.776 -15.227 1.00 0.00 C ATOM 785 O VAL A 51 14.489 -1.643 -15.045 1.00 0.00 O ATOM 786 CB VAL A 51 11.672 0.099 -14.862 1.00 0.00 C ATOM 787 CG1 VAL A 51 10.486 0.580 -14.040 1.00 0.00 C ATOM 788 CG2 VAL A 51 12.731 1.185 -14.970 1.00 0.00 C ATOM 0 HA VAL A 51 11.471 -1.900 -14.073 1.00 0.00 H new ATOM 0 HB VAL A 51 11.318 -0.132 -15.867 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.076 1.485 -14.488 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.719 -0.194 -14.020 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.812 0.795 -13.022 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.290 2.082 -15.405 1.00 0.00 H new ATOM 0 HG22 VAL A 51 13.118 1.416 -13.977 1.00 0.00 H new ATOM 0 HG23 VAL A 51 13.546 0.837 -15.605 1.00 0.00 H new ATOM 798 N TYR A 52 12.770 -2.432 -16.264 1.00 0.00 N ATOM 799 CA TYR A 52 13.624 -3.050 -17.271 1.00 0.00 C ATOM 800 C TYR A 52 13.085 -2.794 -18.675 1.00 0.00 C ATOM 801 O TYR A 52 11.993 -2.249 -18.844 1.00 0.00 O ATOM 802 CB TYR A 52 13.736 -4.555 -17.021 1.00 0.00 C ATOM 803 CG TYR A 52 14.070 -4.909 -15.590 1.00 0.00 C ATOM 804 CD1 TYR A 52 15.342 -4.685 -15.078 1.00 0.00 C ATOM 805 CD2 TYR A 52 13.115 -5.468 -14.750 1.00 0.00 C ATOM 806 CE1 TYR A 52 15.653 -5.006 -13.771 1.00 0.00 C ATOM 807 CE2 TYR A 52 13.417 -5.791 -13.441 1.00 0.00 C ATOM 808 CZ TYR A 52 14.687 -5.559 -12.956 1.00 0.00 C ATOM 809 OH TYR A 52 14.992 -5.882 -11.654 1.00 0.00 O ATOM 0 H TYR A 52 11.770 -2.550 -16.429 1.00 0.00 H new ATOM 0 HA TYR A 52 14.615 -2.601 -17.195 1.00 0.00 H new ATOM 0 HB2 TYR A 52 12.794 -5.031 -17.294 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.503 -4.967 -17.677 1.00 0.00 H new ATOM 0 HD1 TYR A 52 16.101 -4.252 -15.713 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.120 -5.653 -15.127 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.647 -4.825 -13.389 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.662 -6.223 -12.801 1.00 0.00 H new ATOM 0 HH TYR A 52 14.201 -6.260 -11.217 1.00 0.00 H new ATOM 819 N LEU A 53 13.857 -3.192 -19.680 1.00 0.00 N ATOM 820 CA LEU A 53 13.459 -3.008 -21.071 1.00 0.00 C ATOM 821 C LEU A 53 12.855 -4.288 -21.638 1.00 0.00 C ATOM 822 O LEU A 53 13.405 -5.376 -21.465 1.00 0.00 O ATOM 823 CB LEU A 53 14.661 -2.580 -21.914 1.00 0.00 C ATOM 824 CG LEU A 53 14.519 -1.253 -22.660 1.00 0.00 C ATOM 825 CD1 LEU A 53 15.662 -0.315 -22.303 1.00 0.00 C ATOM 826 CD2 LEU A 53 14.470 -1.488 -24.163 1.00 0.00 C ATOM 0 H LEU A 53 14.763 -3.645 -19.557 1.00 0.00 H new ATOM 0 HA LEU A 53 12.702 -2.225 -21.106 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.532 -2.516 -21.262 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.866 -3.364 -22.643 1.00 0.00 H new ATOM 0 HG LEU A 53 13.583 -0.785 -22.355 1.00 0.00 H new ATOM 0 HD11 LEU A 53 15.544 0.624 -22.843 1.00 0.00 H new ATOM 0 HD12 LEU A 53 15.652 -0.120 -21.231 1.00 0.00 H new ATOM 0 HD13 LEU A 53 16.611 -0.776 -22.579 1.00 0.00 H new ATOM 0 HD21 LEU A 53 14.369 -0.532 -24.678 1.00 0.00 H new ATOM 0 HD22 LEU A 53 15.389 -1.978 -24.485 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.617 -2.122 -24.404 1.00 0.00 H new ATOM 838 N ARG A 54 11.721 -4.151 -22.319 1.00 0.00 N ATOM 839 CA ARG A 54 11.043 -5.297 -22.913 1.00 0.00 C ATOM 840 C ARG A 54 11.993 -6.085 -23.811 1.00 0.00 C ATOM 841 O ARG A 54 11.956 -7.315 -23.842 1.00 0.00 O ATOM 842 CB ARG A 54 9.828 -4.835 -23.719 1.00 0.00 C ATOM 843 CG ARG A 54 8.691 -5.845 -23.739 1.00 0.00 C ATOM 844 CD ARG A 54 7.445 -5.267 -24.390 1.00 0.00 C ATOM 845 NE ARG A 54 7.406 -5.530 -25.826 1.00 0.00 N ATOM 846 CZ ARG A 54 7.083 -6.708 -26.349 1.00 0.00 C ATOM 847 NH1 ARG A 54 6.773 -7.726 -25.558 1.00 0.00 N ATOM 848 NH2 ARG A 54 7.070 -6.869 -27.666 1.00 0.00 N ATOM 0 H ARG A 54 11.253 -3.258 -22.473 1.00 0.00 H new ATOM 0 HA ARG A 54 10.709 -5.949 -22.106 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.462 -3.896 -23.303 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.139 -4.630 -24.743 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.005 -6.738 -24.280 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.460 -6.155 -22.720 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.559 -5.693 -23.919 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.412 -4.191 -24.217 1.00 0.00 H new ATOM 0 HE ARG A 54 7.639 -4.768 -26.462 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.782 -7.606 -24.545 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.525 -8.629 -25.962 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.308 -6.088 -28.278 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.822 -7.774 -28.067 1.00 0.00 H new ATOM 862 N SER A 55 12.842 -5.367 -24.540 1.00 0.00 N ATOM 863 CA SER A 55 13.798 -5.999 -25.442 1.00 0.00 C ATOM 864 C SER A 55 14.834 -6.801 -24.660 1.00 0.00 C ATOM 865 O SER A 55 15.273 -7.863 -25.100 1.00 0.00 O ATOM 866 CB SER A 55 14.496 -4.942 -26.300 1.00 0.00 C ATOM 867 OG SER A 55 15.782 -4.638 -25.789 1.00 0.00 O ATOM 0 H SER A 55 12.887 -4.348 -24.524 1.00 0.00 H new ATOM 0 HA SER A 55 13.251 -6.682 -26.092 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.584 -5.302 -27.325 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.890 -4.036 -26.331 1.00 0.00 H new ATOM 0 HG SER A 55 16.208 -3.961 -26.356 1.00 0.00 H new ATOM 873 N ASP A 56 15.219 -6.284 -23.499 1.00 0.00 N ATOM 874 CA ASP A 56 16.203 -6.951 -22.654 1.00 0.00 C ATOM 875 C ASP A 56 15.598 -8.180 -21.982 1.00 0.00 C ATOM 876 O ASP A 56 16.153 -9.276 -22.052 1.00 0.00 O ATOM 877 CB ASP A 56 16.736 -5.985 -21.594 1.00 0.00 C ATOM 878 CG ASP A 56 17.969 -5.237 -22.061 1.00 0.00 C ATOM 879 OD1 ASP A 56 18.921 -5.897 -22.529 1.00 0.00 O ATOM 880 OD2 ASP A 56 17.984 -3.993 -21.957 1.00 0.00 O ATOM 0 H ASP A 56 14.865 -5.405 -23.121 1.00 0.00 H new ATOM 0 HA ASP A 56 17.029 -7.275 -23.287 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.956 -5.269 -21.334 1.00 0.00 H new ATOM 0 HB3 ASP A 56 16.973 -6.540 -20.687 1.00 0.00 H new ATOM 885 N VAL A 57 14.456 -7.988 -21.329 1.00 0.00 N ATOM 886 CA VAL A 57 13.775 -9.081 -20.643 1.00 0.00 C ATOM 887 C VAL A 57 13.452 -10.218 -21.607 1.00 0.00 C ATOM 888 O VAL A 57 13.483 -11.389 -21.231 1.00 0.00 O ATOM 889 CB VAL A 57 12.471 -8.600 -19.979 1.00 0.00 C ATOM 890 CG1 VAL A 57 11.778 -9.752 -19.268 1.00 0.00 C ATOM 891 CG2 VAL A 57 12.754 -7.459 -19.014 1.00 0.00 C ATOM 0 H VAL A 57 13.983 -7.087 -21.260 1.00 0.00 H new ATOM 0 HA VAL A 57 14.455 -9.444 -19.872 1.00 0.00 H new ATOM 0 HB VAL A 57 11.803 -8.230 -20.756 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.859 -9.393 -18.805 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.540 -10.534 -19.989 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.438 -10.155 -18.500 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.822 -7.132 -18.554 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.441 -7.800 -18.239 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.203 -6.627 -19.556 1.00 0.00 H new ATOM 901 N GLU A 58 13.144 -9.863 -22.850 1.00 0.00 N ATOM 902 CA GLU A 58 12.816 -10.855 -23.867 1.00 0.00 C ATOM 903 C GLU A 58 13.927 -11.893 -23.993 1.00 0.00 C ATOM 904 O GLU A 58 13.679 -13.096 -23.914 1.00 0.00 O ATOM 905 CB GLU A 58 12.583 -10.175 -25.218 1.00 0.00 C ATOM 906 CG GLU A 58 12.125 -11.129 -26.309 1.00 0.00 C ATOM 907 CD GLU A 58 12.187 -10.507 -27.691 1.00 0.00 C ATOM 908 OE1 GLU A 58 11.858 -9.309 -27.818 1.00 0.00 O ATOM 909 OE2 GLU A 58 12.564 -11.219 -28.645 1.00 0.00 O ATOM 0 H GLU A 58 13.115 -8.897 -23.177 1.00 0.00 H new ATOM 0 HA GLU A 58 11.901 -11.363 -23.561 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.836 -9.390 -25.096 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.506 -9.690 -25.535 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.747 -12.024 -26.289 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.103 -11.447 -26.103 1.00 0.00 H new ATOM 916 N ALA A 59 15.153 -11.419 -24.190 1.00 0.00 N ATOM 917 CA ALA A 59 16.302 -12.305 -24.326 1.00 0.00 C ATOM 918 C ALA A 59 16.516 -13.125 -23.058 1.00 0.00 C ATOM 919 O ALA A 59 16.868 -14.303 -23.120 1.00 0.00 O ATOM 920 CB ALA A 59 17.552 -11.501 -24.654 1.00 0.00 C ATOM 0 H ALA A 59 15.376 -10.426 -24.259 1.00 0.00 H new ATOM 0 HA ALA A 59 16.102 -12.996 -25.145 1.00 0.00 H new ATOM 0 HB1 ALA A 59 18.403 -12.175 -24.753 1.00 0.00 H new ATOM 0 HB2 ALA A 59 17.404 -10.964 -25.591 1.00 0.00 H new ATOM 0 HB3 ALA A 59 17.746 -10.787 -23.853 1.00 0.00 H new ATOM 926 N LYS A 60 16.301 -12.494 -21.908 1.00 0.00 N ATOM 927 CA LYS A 60 16.470 -13.165 -20.624 1.00 0.00 C ATOM 928 C LYS A 60 15.606 -14.420 -20.549 1.00 0.00 C ATOM 929 O LYS A 60 15.929 -15.364 -19.828 1.00 0.00 O ATOM 930 CB LYS A 60 16.110 -12.216 -19.479 1.00 0.00 C ATOM 931 CG LYS A 60 16.297 -12.828 -18.101 1.00 0.00 C ATOM 932 CD LYS A 60 17.737 -13.252 -17.870 1.00 0.00 C ATOM 933 CE LYS A 60 18.678 -12.057 -17.876 1.00 0.00 C ATOM 934 NZ LYS A 60 19.978 -12.371 -17.220 1.00 0.00 N ATOM 0 H LYS A 60 16.009 -11.519 -21.839 1.00 0.00 H new ATOM 0 HA LYS A 60 17.515 -13.458 -20.530 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.724 -11.319 -19.555 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.072 -11.903 -19.591 1.00 0.00 H new ATOM 0 HG2 LYS A 60 16.002 -12.107 -17.339 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.641 -13.692 -17.993 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.815 -13.773 -16.916 1.00 0.00 H new ATOM 0 HD3 LYS A 60 18.038 -13.958 -18.644 1.00 0.00 H new ATOM 0 HE2 LYS A 60 18.857 -11.741 -18.904 1.00 0.00 H new ATOM 0 HE3 LYS A 60 18.205 -11.220 -17.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 20.494 -11.488 -17.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.803 -12.869 -16.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 20.546 -12.976 -17.847 1.00 0.00 H new ATOM 948 N SER A 61 14.509 -14.424 -21.299 1.00 0.00 N ATOM 949 CA SER A 61 13.598 -15.563 -21.315 1.00 0.00 C ATOM 950 C SER A 61 14.099 -16.646 -22.264 1.00 0.00 C ATOM 951 O SER A 61 13.796 -17.828 -22.093 1.00 0.00 O ATOM 952 CB SER A 61 12.195 -15.115 -21.729 1.00 0.00 C ATOM 953 OG SER A 61 11.946 -15.413 -23.091 1.00 0.00 O ATOM 0 H SER A 61 14.229 -13.652 -21.904 1.00 0.00 H new ATOM 0 HA SER A 61 13.557 -15.978 -20.308 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.452 -15.610 -21.103 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.088 -14.043 -21.563 1.00 0.00 H new ATOM 0 HG SER A 61 12.419 -14.769 -23.659 1.00 0.00 H new ATOM 959 N LEU A 62 14.868 -16.236 -23.267 1.00 0.00 N ATOM 960 CA LEU A 62 15.413 -17.170 -24.245 1.00 0.00 C ATOM 961 C LEU A 62 16.693 -17.817 -23.727 1.00 0.00 C ATOM 962 O LEU A 62 16.979 -18.976 -24.026 1.00 0.00 O ATOM 963 CB LEU A 62 15.690 -16.451 -25.567 1.00 0.00 C ATOM 964 CG LEU A 62 14.589 -15.514 -26.065 1.00 0.00 C ATOM 965 CD1 LEU A 62 14.943 -14.956 -27.435 1.00 0.00 C ATOM 966 CD2 LEU A 62 13.252 -16.240 -26.113 1.00 0.00 C ATOM 0 H LEU A 62 15.128 -15.262 -23.424 1.00 0.00 H new ATOM 0 HA LEU A 62 14.674 -17.954 -24.412 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.609 -15.874 -25.458 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.874 -17.203 -26.335 1.00 0.00 H new ATOM 0 HG LEU A 62 14.503 -14.682 -25.367 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.148 -14.291 -27.774 1.00 0.00 H new ATOM 0 HD12 LEU A 62 15.878 -14.400 -27.371 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.057 -15.776 -28.144 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.480 -15.558 -26.470 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.324 -17.092 -26.790 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.993 -16.591 -25.114 1.00 0.00 H new ATOM 978 N GLU A 63 17.458 -17.060 -22.946 1.00 0.00 N ATOM 979 CA GLU A 63 18.707 -17.561 -22.385 1.00 0.00 C ATOM 980 C GLU A 63 18.438 -18.546 -21.251 1.00 0.00 C ATOM 981 O GLU A 63 19.264 -19.409 -20.954 1.00 0.00 O ATOM 982 CB GLU A 63 19.565 -16.401 -21.875 1.00 0.00 C ATOM 983 CG GLU A 63 19.057 -15.794 -20.578 1.00 0.00 C ATOM 984 CD GLU A 63 19.857 -16.243 -19.371 1.00 0.00 C ATOM 985 OE1 GLU A 63 19.929 -17.466 -19.128 1.00 0.00 O ATOM 986 OE2 GLU A 63 20.412 -15.371 -18.669 1.00 0.00 O ATOM 0 H GLU A 63 17.235 -16.099 -22.688 1.00 0.00 H new ATOM 0 HA GLU A 63 19.247 -18.082 -23.176 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.586 -16.753 -21.727 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.603 -15.625 -22.639 1.00 0.00 H new ATOM 0 HG2 GLU A 63 19.095 -14.707 -20.651 1.00 0.00 H new ATOM 0 HG3 GLU A 63 18.011 -16.068 -20.438 1.00 0.00 H new ATOM 993 N VAL A 64 17.276 -18.410 -20.621 1.00 0.00 N ATOM 994 CA VAL A 64 16.896 -19.288 -19.520 1.00 0.00 C ATOM 995 C VAL A 64 16.119 -20.499 -20.025 1.00 0.00 C ATOM 996 O VAL A 64 16.640 -21.614 -20.054 1.00 0.00 O ATOM 997 CB VAL A 64 16.041 -18.542 -18.478 1.00 0.00 C ATOM 998 CG1 VAL A 64 15.609 -19.487 -17.367 1.00 0.00 C ATOM 999 CG2 VAL A 64 16.807 -17.356 -17.912 1.00 0.00 C ATOM 0 H VAL A 64 16.581 -17.700 -20.854 1.00 0.00 H new ATOM 0 HA VAL A 64 17.820 -19.624 -19.049 1.00 0.00 H new ATOM 0 HB VAL A 64 15.145 -18.165 -18.971 1.00 0.00 H new ATOM 0 HG11 VAL A 64 15.006 -18.943 -16.640 1.00 0.00 H new ATOM 0 HG12 VAL A 64 15.020 -20.301 -17.790 1.00 0.00 H new ATOM 0 HG13 VAL A 64 16.491 -19.896 -16.873 1.00 0.00 H new ATOM 0 HG21 VAL A 64 16.188 -16.840 -17.178 1.00 0.00 H new ATOM 0 HG22 VAL A 64 17.721 -17.708 -17.434 1.00 0.00 H new ATOM 0 HG23 VAL A 64 17.061 -16.669 -18.719 1.00 0.00 H new ATOM 1009 N TRP A 65 14.873 -20.271 -20.422 1.00 0.00 N ATOM 1010 CA TRP A 65 14.024 -21.345 -20.927 1.00 0.00 C ATOM 1011 C TRP A 65 14.639 -21.988 -22.165 1.00 0.00 C ATOM 1012 O TRP A 65 14.377 -23.152 -22.467 1.00 0.00 O ATOM 1013 CB TRP A 65 12.629 -20.809 -21.255 1.00 0.00 C ATOM 1014 CG TRP A 65 11.741 -20.689 -20.054 1.00 0.00 C ATOM 1015 CD1 TRP A 65 11.514 -19.566 -19.311 1.00 0.00 C ATOM 1016 CD2 TRP A 65 10.964 -21.732 -19.456 1.00 0.00 C ATOM 1017 NE1 TRP A 65 10.642 -19.848 -18.287 1.00 0.00 N ATOM 1018 CE2 TRP A 65 10.289 -21.170 -18.354 1.00 0.00 C ATOM 1019 CE3 TRP A 65 10.771 -23.086 -19.744 1.00 0.00 C ATOM 1020 CZ2 TRP A 65 9.438 -21.916 -17.543 1.00 0.00 C ATOM 1021 CZ3 TRP A 65 9.926 -23.825 -18.938 1.00 0.00 C ATOM 1022 CH2 TRP A 65 9.267 -23.239 -17.849 1.00 0.00 C ATOM 0 H TRP A 65 14.428 -19.354 -20.404 1.00 0.00 H new ATOM 0 HA TRP A 65 13.940 -22.104 -20.150 1.00 0.00 H new ATOM 0 HB2 TRP A 65 12.725 -19.831 -21.726 1.00 0.00 H new ATOM 0 HB3 TRP A 65 12.156 -21.468 -21.983 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.955 -18.598 -19.500 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.311 -19.181 -17.590 1.00 0.00 H new ATOM 0 HE3 TRP A 65 11.273 -23.547 -20.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 8.931 -21.467 -16.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.771 -24.872 -19.151 1.00 0.00 H new ATOM 0 HH2 TRP A 65 8.611 -23.843 -17.239 1.00 0.00 H new ATOM 1033 N GLY A 66 15.458 -21.223 -22.880 1.00 0.00 N ATOM 1034 CA GLY A 66 16.097 -21.737 -24.077 1.00 0.00 C ATOM 1035 C GLY A 66 15.497 -21.164 -25.346 1.00 0.00 C ATOM 1036 O GLY A 66 16.204 -20.935 -26.327 1.00 0.00 O ATOM 0 H GLY A 66 15.690 -20.256 -22.652 1.00 0.00 H new ATOM 0 HA2 GLY A 66 17.162 -21.505 -24.045 1.00 0.00 H new ATOM 0 HA3 GLY A 66 16.008 -22.823 -24.095 1.00 0.00 H new ATOM 1040 N SER A 67 14.188 -20.934 -25.328 1.00 0.00 N ATOM 1041 CA SER A 67 13.491 -20.390 -26.488 1.00 0.00 C ATOM 1042 C SER A 67 12.186 -19.719 -26.072 1.00 0.00 C ATOM 1043 O SER A 67 11.647 -19.966 -24.993 1.00 0.00 O ATOM 1044 CB SER A 67 13.207 -21.498 -27.505 1.00 0.00 C ATOM 1045 OG SER A 67 13.508 -22.774 -26.966 1.00 0.00 O ATOM 0 H SER A 67 13.589 -21.116 -24.523 1.00 0.00 H new ATOM 0 HA SER A 67 14.134 -19.640 -26.949 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.159 -21.463 -27.802 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.799 -21.331 -28.405 1.00 0.00 H new ATOM 0 HG SER A 67 13.317 -23.465 -27.634 1.00 0.00 H new ATOM 1051 N PRO A 68 11.664 -18.849 -26.949 1.00 0.00 N ATOM 1052 CA PRO A 68 10.415 -18.124 -26.696 1.00 0.00 C ATOM 1053 C PRO A 68 9.196 -19.039 -26.730 1.00 0.00 C ATOM 1054 O PRO A 68 8.145 -18.709 -26.182 1.00 0.00 O ATOM 1055 CB PRO A 68 10.355 -17.111 -27.843 1.00 0.00 C ATOM 1056 CG PRO A 68 11.160 -17.726 -28.934 1.00 0.00 C ATOM 1057 CD PRO A 68 12.252 -18.506 -28.255 1.00 0.00 C ATOM 0 HA PRO A 68 10.401 -17.669 -25.705 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.328 -16.933 -28.161 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.767 -16.148 -27.542 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.544 -18.377 -29.554 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.577 -16.962 -29.590 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.521 -19.398 -28.821 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.160 -17.913 -28.144 1.00 0.00 H new ATOM 1065 N GLU A 69 9.344 -20.191 -27.377 1.00 0.00 N ATOM 1066 CA GLU A 69 8.254 -21.154 -27.482 1.00 0.00 C ATOM 1067 C GLU A 69 7.962 -21.795 -26.128 1.00 0.00 C ATOM 1068 O GLU A 69 6.805 -21.944 -25.736 1.00 0.00 O ATOM 1069 CB GLU A 69 8.596 -22.236 -28.507 1.00 0.00 C ATOM 1070 CG GLU A 69 7.397 -22.722 -29.303 1.00 0.00 C ATOM 1071 CD GLU A 69 7.558 -24.149 -29.789 1.00 0.00 C ATOM 1072 OE1 GLU A 69 8.312 -24.364 -30.761 1.00 0.00 O ATOM 1073 OE2 GLU A 69 6.929 -25.051 -29.196 1.00 0.00 O ATOM 0 H GLU A 69 10.208 -20.480 -27.836 1.00 0.00 H new ATOM 0 HA GLU A 69 7.363 -20.620 -27.812 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.346 -21.847 -29.196 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.047 -23.084 -27.991 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.502 -22.652 -28.684 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.244 -22.066 -30.160 1.00 0.00 H new ATOM 1080 N ALA A 70 9.021 -22.172 -25.418 1.00 0.00 N ATOM 1081 CA ALA A 70 8.879 -22.795 -24.108 1.00 0.00 C ATOM 1082 C ALA A 70 8.038 -21.930 -23.176 1.00 0.00 C ATOM 1083 O ALA A 70 7.241 -22.441 -22.389 1.00 0.00 O ATOM 1084 CB ALA A 70 10.248 -23.056 -23.497 1.00 0.00 C ATOM 0 H ALA A 70 9.986 -22.057 -25.728 1.00 0.00 H new ATOM 0 HA ALA A 70 8.364 -23.747 -24.240 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.127 -23.521 -22.519 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.816 -23.721 -24.148 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.783 -22.113 -23.386 1.00 0.00 H new ATOM 1090 N LEU A 71 8.221 -20.617 -23.269 1.00 0.00 N ATOM 1091 CA LEU A 71 7.479 -19.680 -22.434 1.00 0.00 C ATOM 1092 C LEU A 71 6.063 -19.481 -22.964 1.00 0.00 C ATOM 1093 O LEU A 71 5.106 -19.403 -22.194 1.00 0.00 O ATOM 1094 CB LEU A 71 8.206 -18.335 -22.372 1.00 0.00 C ATOM 1095 CG LEU A 71 7.429 -17.180 -21.739 1.00 0.00 C ATOM 1096 CD1 LEU A 71 7.186 -17.446 -20.262 1.00 0.00 C ATOM 1097 CD2 LEU A 71 8.174 -15.867 -21.932 1.00 0.00 C ATOM 0 H LEU A 71 8.877 -20.178 -23.915 1.00 0.00 H new ATOM 0 HA LEU A 71 7.416 -20.099 -21.430 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.133 -18.471 -21.815 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.483 -18.047 -23.386 1.00 0.00 H new ATOM 0 HG LEU A 71 6.462 -17.102 -22.236 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.632 -16.613 -19.829 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.610 -18.364 -20.148 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.142 -17.552 -19.749 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.607 -15.056 -21.475 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.155 -15.933 -21.462 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.295 -15.670 -22.997 1.00 0.00 H new ATOM 1109 N ALA A 72 5.937 -19.402 -24.285 1.00 0.00 N ATOM 1110 CA ALA A 72 4.637 -19.217 -24.918 1.00 0.00 C ATOM 1111 C ALA A 72 3.666 -20.321 -24.513 1.00 0.00 C ATOM 1112 O ALA A 72 2.454 -20.111 -24.474 1.00 0.00 O ATOM 1113 CB ALA A 72 4.789 -19.174 -26.431 1.00 0.00 C ATOM 0 H ALA A 72 6.719 -19.463 -24.937 1.00 0.00 H new ATOM 0 HA ALA A 72 4.227 -18.266 -24.577 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.811 -19.035 -26.891 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.441 -18.345 -26.708 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.225 -20.110 -26.780 1.00 0.00 H new ATOM 1119 N ARG A 73 4.208 -21.497 -24.212 1.00 0.00 N ATOM 1120 CA ARG A 73 3.389 -22.634 -23.811 1.00 0.00 C ATOM 1121 C ARG A 73 2.494 -22.271 -22.630 1.00 0.00 C ATOM 1122 O ARG A 73 1.371 -22.761 -22.517 1.00 0.00 O ATOM 1123 CB ARG A 73 4.276 -23.825 -23.445 1.00 0.00 C ATOM 1124 CG ARG A 73 5.124 -24.331 -24.601 1.00 0.00 C ATOM 1125 CD ARG A 73 4.587 -25.643 -25.153 1.00 0.00 C ATOM 1126 NE ARG A 73 3.543 -25.430 -26.151 1.00 0.00 N ATOM 1127 CZ ARG A 73 3.162 -26.355 -27.024 1.00 0.00 C ATOM 1128 NH1 ARG A 73 3.736 -27.550 -27.022 1.00 0.00 N ATOM 1129 NH2 ARG A 73 2.204 -26.086 -27.902 1.00 0.00 N ATOM 0 H ARG A 73 5.210 -21.687 -24.238 1.00 0.00 H new ATOM 0 HA ARG A 73 2.755 -22.907 -24.654 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.932 -23.540 -22.622 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.647 -24.638 -23.084 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.145 -23.583 -25.393 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.152 -24.469 -24.266 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.404 -26.210 -25.599 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.190 -26.245 -24.336 1.00 0.00 H new ATOM 0 HE ARG A 73 3.081 -24.521 -26.179 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.472 -27.761 -26.349 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.441 -28.259 -27.694 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.760 -25.168 -27.907 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.912 -26.797 -28.572 1.00 0.00 H new ATOM 1143 N GLU A 74 3.000 -21.409 -21.754 1.00 0.00 N ATOM 1144 CA GLU A 74 2.246 -20.982 -20.581 1.00 0.00 C ATOM 1145 C GLU A 74 1.476 -19.696 -20.868 1.00 0.00 C ATOM 1146 O GLU A 74 0.402 -19.465 -20.313 1.00 0.00 O ATOM 1147 CB GLU A 74 3.186 -20.772 -19.392 1.00 0.00 C ATOM 1148 CG GLU A 74 3.824 -22.055 -18.886 1.00 0.00 C ATOM 1149 CD GLU A 74 2.801 -23.059 -18.390 1.00 0.00 C ATOM 1150 OE1 GLU A 74 1.881 -22.650 -17.651 1.00 0.00 O ATOM 1151 OE2 GLU A 74 2.921 -24.251 -18.739 1.00 0.00 O ATOM 0 H GLU A 74 3.928 -20.993 -21.834 1.00 0.00 H new ATOM 0 HA GLU A 74 1.530 -21.767 -20.335 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.972 -20.074 -19.680 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.630 -20.307 -18.578 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.411 -22.505 -19.687 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.516 -21.818 -18.078 1.00 0.00 H new ATOM 1158 N LYS A 75 2.034 -18.861 -21.738 1.00 0.00 N ATOM 1159 CA LYS A 75 1.402 -17.598 -22.100 1.00 0.00 C ATOM 1160 C LYS A 75 0.108 -17.839 -22.870 1.00 0.00 C ATOM 1161 O LYS A 75 -0.863 -17.095 -22.722 1.00 0.00 O ATOM 1162 CB LYS A 75 2.358 -16.749 -22.941 1.00 0.00 C ATOM 1163 CG LYS A 75 3.663 -16.423 -22.236 1.00 0.00 C ATOM 1164 CD LYS A 75 4.120 -15.005 -22.536 1.00 0.00 C ATOM 1165 CE LYS A 75 3.775 -14.056 -21.399 1.00 0.00 C ATOM 1166 NZ LYS A 75 3.021 -12.865 -21.881 1.00 0.00 N ATOM 0 H LYS A 75 2.923 -19.036 -22.206 1.00 0.00 H new ATOM 0 HA LYS A 75 1.163 -17.063 -21.181 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.578 -17.277 -23.869 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.860 -15.819 -23.214 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.537 -16.546 -21.160 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.433 -17.128 -22.549 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.197 -14.997 -22.704 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.651 -14.657 -23.456 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.182 -14.584 -20.652 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.691 -13.731 -20.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.124 -12.089 -21.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.397 -12.566 -22.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.015 -13.108 -21.980 1.00 0.00 H new