USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 530 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 36 LYS NZ :NH3+ -121:sc= 0.0711 (180deg=-0.65) USER MOD Set 1.2: A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= 0.977 (180deg=0.949) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.112 F(o=-1.6,f=-0.11) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 90:sc= 0.251 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.207 F(o=-0.72,f=-0.21) USER MOD Single : A 75 MET CE :methyl 147:sc= -4.11! (180deg=-7.35!) USER MOD Single : A 88 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD ----------------------------------------------------------------- ATOM 144 N ILE A 14 5.021 12.391 -4.692 1.00 0.00 N ATOM 145 CA ILE A 14 3.700 11.795 -4.537 1.00 0.00 C ATOM 146 C ILE A 14 3.709 10.712 -3.463 1.00 0.00 C ATOM 147 O ILE A 14 4.541 9.805 -3.486 1.00 0.00 O ATOM 148 CB ILE A 14 3.198 11.186 -5.860 1.00 0.00 C ATOM 149 CG1 ILE A 14 3.040 12.277 -6.921 1.00 0.00 C ATOM 150 CG2 ILE A 14 1.881 10.457 -5.641 1.00 0.00 C ATOM 151 CD1 ILE A 14 1.975 13.298 -6.584 1.00 0.00 C ATOM 0 HA ILE A 14 3.025 12.597 -4.237 1.00 0.00 H new ATOM 0 HB ILE A 14 3.935 10.465 -6.214 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.994 12.788 -7.050 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.796 11.811 -7.876 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.539 10.032 -6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.024 9.658 -4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.135 11.158 -5.267 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.918 14.041 -7.380 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.011 12.799 -6.484 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.228 13.791 -5.645 1.00 0.00 H new ATOM 163 N THR A 15 2.775 10.812 -2.522 1.00 0.00 N ATOM 164 CA THR A 15 2.673 9.842 -1.439 1.00 0.00 C ATOM 165 C THR A 15 1.345 9.097 -1.492 1.00 0.00 C ATOM 166 O THR A 15 0.283 9.708 -1.615 1.00 0.00 O ATOM 167 CB THR A 15 2.816 10.519 -0.063 1.00 0.00 C ATOM 168 OG1 THR A 15 4.013 11.303 -0.024 1.00 0.00 O ATOM 169 CG2 THR A 15 2.845 9.482 1.050 1.00 0.00 C ATOM 0 H THR A 15 2.078 11.556 -2.488 1.00 0.00 H new ATOM 0 HA THR A 15 3.489 9.132 -1.572 1.00 0.00 H new ATOM 0 HB THR A 15 1.953 11.168 0.089 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.095 11.731 0.854 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.947 9.984 2.012 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.919 8.908 1.036 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.691 8.811 0.900 1.00 0.00 H new ATOM 177 N LEU A 16 1.410 7.773 -1.397 1.00 0.00 N ATOM 178 CA LEU A 16 0.211 6.943 -1.432 1.00 0.00 C ATOM 179 C LEU A 16 -0.006 6.243 -0.095 1.00 0.00 C ATOM 180 O LEU A 16 0.902 5.605 0.439 1.00 0.00 O ATOM 181 CB LEU A 16 0.317 5.907 -2.553 1.00 0.00 C ATOM 182 CG LEU A 16 0.079 6.426 -3.971 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.630 5.448 -4.997 1.00 0.00 C ATOM 184 CD2 LEU A 16 -1.404 6.671 -4.208 1.00 0.00 C ATOM 0 H LEU A 16 2.281 7.251 -1.295 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.644 7.591 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.310 5.459 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.400 5.111 -2.354 1.00 0.00 H new ATOM 0 HG LEU A 16 0.606 7.374 -4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.451 5.834 -6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.702 5.323 -4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.132 4.485 -4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.554 7.040 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.952 5.738 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.769 7.410 -3.495 1.00 0.00 H new ATOM 196 N LYS A 17 -1.216 6.363 0.441 1.00 0.00 N ATOM 197 CA LYS A 17 -1.555 5.739 1.714 1.00 0.00 C ATOM 198 C LYS A 17 -2.223 4.385 1.496 1.00 0.00 C ATOM 199 O LYS A 17 -3.163 4.265 0.709 1.00 0.00 O ATOM 200 CB LYS A 17 -2.480 6.652 2.522 1.00 0.00 C ATOM 201 CG LYS A 17 -2.781 6.131 3.917 1.00 0.00 C ATOM 202 CD LYS A 17 -3.035 7.267 4.894 1.00 0.00 C ATOM 203 CE LYS A 17 -2.764 6.840 6.328 1.00 0.00 C ATOM 204 NZ LYS A 17 -3.896 6.058 6.898 1.00 0.00 N ATOM 0 H LYS A 17 -1.979 6.887 0.013 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.631 5.583 2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.024 7.639 2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.417 6.777 1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.653 5.478 3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.945 5.527 4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.400 8.116 4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.068 7.603 4.802 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.855 6.240 6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.587 7.723 6.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.718 5.873 7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.778 6.599 6.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.984 5.154 6.391 1.00 0.00 H new ATOM 218 N VAL A 18 -1.733 3.369 2.197 1.00 0.00 N ATOM 219 CA VAL A 18 -2.284 2.024 2.082 1.00 0.00 C ATOM 220 C VAL A 18 -2.709 1.485 3.443 1.00 0.00 C ATOM 221 O VAL A 18 -1.874 1.248 4.317 1.00 0.00 O ATOM 222 CB VAL A 18 -1.268 1.053 1.452 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.834 -0.358 1.408 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.875 1.522 0.060 1.00 0.00 C ATOM 0 H VAL A 18 -0.955 3.451 2.851 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.158 2.095 1.434 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.372 1.040 2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.102 -1.030 0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.060 -0.691 2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.746 -0.366 0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.157 0.824 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.761 1.566 -0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.425 2.513 0.123 1.00 0.00 H new ATOM 234 N ASP A 19 -4.012 1.294 3.618 1.00 0.00 N ATOM 235 CA ASP A 19 -4.548 0.781 4.873 1.00 0.00 C ATOM 236 C ASP A 19 -4.901 -0.698 4.749 1.00 0.00 C ATOM 237 O ASP A 19 -4.842 -1.271 3.663 1.00 0.00 O ATOM 238 CB ASP A 19 -5.785 1.580 5.288 1.00 0.00 C ATOM 239 CG ASP A 19 -5.430 2.841 6.050 1.00 0.00 C ATOM 240 OD1 ASP A 19 -4.437 3.502 5.677 1.00 0.00 O ATOM 241 OD2 ASP A 19 -6.145 3.169 7.020 1.00 0.00 O ATOM 0 H ASP A 19 -4.717 1.487 2.906 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.780 0.890 5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.358 1.845 4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.428 0.954 5.907 1.00 0.00 H new ATOM 246 N ASN A 20 -5.266 -1.310 5.871 1.00 0.00 N ATOM 247 CA ASN A 20 -5.626 -2.723 5.889 1.00 0.00 C ATOM 248 C ASN A 20 -4.474 -3.584 5.381 1.00 0.00 C ATOM 249 O ASN A 20 -4.647 -4.398 4.472 1.00 0.00 O ATOM 250 CB ASN A 20 -6.873 -2.963 5.035 1.00 0.00 C ATOM 251 CG ASN A 20 -7.539 -4.290 5.345 1.00 0.00 C ATOM 252 OD1 ASN A 20 -7.337 -5.271 4.474 1.00 0.00 O flip ATOM 253 ND2 ASN A 20 -8.227 -4.430 6.357 1.00 0.00 N flip ATOM 0 H ASN A 20 -5.320 -0.849 6.779 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.840 -3.006 6.920 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.585 -2.155 5.201 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.599 -2.935 3.980 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.355 -3.648 6.999 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.669 -5.328 6.553 1.00 0.00 H new ATOM 260 N LEU A 21 -3.299 -3.400 5.973 1.00 0.00 N ATOM 261 CA LEU A 21 -2.118 -4.161 5.581 1.00 0.00 C ATOM 262 C LEU A 21 -1.761 -5.197 6.642 1.00 0.00 C ATOM 263 O LEU A 21 -1.256 -4.857 7.713 1.00 0.00 O ATOM 264 CB LEU A 21 -0.934 -3.220 5.352 1.00 0.00 C ATOM 265 CG LEU A 21 -0.926 -2.463 4.024 1.00 0.00 C ATOM 266 CD1 LEU A 21 0.189 -1.429 4.005 1.00 0.00 C ATOM 267 CD2 LEU A 21 -0.777 -3.431 2.859 1.00 0.00 C ATOM 0 H LEU A 21 -3.139 -2.731 6.726 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.344 -4.683 4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.912 -2.492 6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.015 -3.802 5.421 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.878 -1.943 3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.179 -0.900 3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.039 -0.717 4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.150 -1.928 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.773 -2.875 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.160 -3.979 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.611 -4.133 2.861 1.00 0.00 H new ATOM 279 N THR A 22 -2.024 -6.464 6.338 1.00 0.00 N ATOM 280 CA THR A 22 -1.729 -7.550 7.264 1.00 0.00 C ATOM 281 C THR A 22 -0.282 -7.490 7.740 1.00 0.00 C ATOM 282 O THR A 22 0.635 -7.284 6.945 1.00 0.00 O ATOM 283 CB THR A 22 -1.989 -8.925 6.619 1.00 0.00 C ATOM 284 OG1 THR A 22 -1.473 -9.964 7.458 1.00 0.00 O ATOM 285 CG2 THR A 22 -1.343 -9.008 5.244 1.00 0.00 C ATOM 0 H THR A 22 -2.441 -6.763 5.457 1.00 0.00 H new ATOM 0 HA THR A 22 -2.395 -7.426 8.118 1.00 0.00 H new ATOM 0 HB THR A 22 -3.066 -9.052 6.505 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.643 -10.835 7.042 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.540 -9.987 4.808 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.759 -8.234 4.599 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.267 -8.862 5.338 1.00 0.00 H new ATOM 293 N TYR A 23 -0.084 -7.671 9.041 1.00 0.00 N ATOM 294 CA TYR A 23 1.252 -7.635 9.623 1.00 0.00 C ATOM 295 C TYR A 23 2.262 -8.326 8.711 1.00 0.00 C ATOM 296 O TYR A 23 3.363 -7.821 8.491 1.00 0.00 O ATOM 297 CB TYR A 23 1.250 -8.304 10.999 1.00 0.00 C ATOM 298 CG TYR A 23 1.058 -9.803 10.943 1.00 0.00 C ATOM 299 CD1 TYR A 23 2.086 -10.639 10.526 1.00 0.00 C ATOM 300 CD2 TYR A 23 -0.151 -10.382 11.307 1.00 0.00 C ATOM 301 CE1 TYR A 23 1.915 -12.009 10.474 1.00 0.00 C ATOM 302 CE2 TYR A 23 -0.330 -11.751 11.259 1.00 0.00 C ATOM 303 CZ TYR A 23 0.706 -12.560 10.841 1.00 0.00 C ATOM 304 OH TYR A 23 0.531 -13.924 10.790 1.00 0.00 O ATOM 0 H TYR A 23 -0.832 -7.844 9.713 1.00 0.00 H new ATOM 0 HA TYR A 23 1.544 -6.591 9.734 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.192 -8.085 11.501 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.457 -7.867 11.605 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.035 -10.211 10.238 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.965 -9.751 11.633 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.725 -12.645 10.147 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.276 -12.185 11.547 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.377 -14.148 11.082 1.00 0.00 H new ATOM 314 N ARG A 24 1.878 -9.483 8.183 1.00 0.00 N ATOM 315 CA ARG A 24 2.748 -10.244 7.295 1.00 0.00 C ATOM 316 C ARG A 24 3.399 -9.333 6.259 1.00 0.00 C ATOM 317 O ARG A 24 4.594 -9.442 5.982 1.00 0.00 O ATOM 318 CB ARG A 24 1.957 -11.349 6.593 1.00 0.00 C ATOM 319 CG ARG A 24 1.882 -12.643 7.387 1.00 0.00 C ATOM 320 CD ARG A 24 1.685 -13.845 6.476 1.00 0.00 C ATOM 321 NE ARG A 24 1.694 -15.102 7.218 1.00 0.00 N ATOM 322 CZ ARG A 24 0.626 -15.604 7.827 1.00 0.00 C ATOM 323 NH1 ARG A 24 -0.531 -14.959 7.782 1.00 0.00 N ATOM 324 NH2 ARG A 24 0.714 -16.754 8.483 1.00 0.00 N ATOM 0 H ARG A 24 0.970 -9.914 8.355 1.00 0.00 H new ATOM 0 HA ARG A 24 3.533 -10.698 7.899 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.945 -10.993 6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.415 -11.553 5.625 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.797 -12.770 7.966 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.059 -12.587 8.100 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.739 -13.745 5.944 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.474 -13.863 5.724 1.00 0.00 H new ATOM 0 HE ARG A 24 2.569 -15.624 7.272 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.603 -14.075 7.279 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.350 -15.347 8.251 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.603 -17.253 8.520 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.107 -17.139 8.950 1.00 0.00 H new ATOM 338 N THR A 25 2.604 -8.433 5.687 1.00 0.00 N ATOM 339 CA THR A 25 3.101 -7.504 4.680 1.00 0.00 C ATOM 340 C THR A 25 4.513 -7.035 5.014 1.00 0.00 C ATOM 341 O THR A 25 4.904 -6.996 6.180 1.00 0.00 O ATOM 342 CB THR A 25 2.182 -6.275 4.547 1.00 0.00 C ATOM 343 OG1 THR A 25 0.880 -6.682 4.111 1.00 0.00 O ATOM 344 CG2 THR A 25 2.761 -5.271 3.563 1.00 0.00 C ATOM 0 H THR A 25 1.613 -8.328 5.905 1.00 0.00 H new ATOM 0 HA THR A 25 3.114 -8.042 3.732 1.00 0.00 H new ATOM 0 HB THR A 25 2.105 -5.799 5.524 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.320 -6.877 4.891 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.095 -4.412 3.486 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.739 -4.941 3.913 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.865 -5.739 2.584 1.00 0.00 H new ATOM 352 N SER A 26 5.272 -6.680 3.983 1.00 0.00 N ATOM 353 CA SER A 26 6.643 -6.216 4.167 1.00 0.00 C ATOM 354 C SER A 26 7.030 -5.221 3.078 1.00 0.00 C ATOM 355 O SER A 26 6.453 -5.195 1.991 1.00 0.00 O ATOM 356 CB SER A 26 7.610 -7.401 4.159 1.00 0.00 C ATOM 357 OG SER A 26 7.449 -8.199 5.319 1.00 0.00 O ATOM 0 H SER A 26 4.962 -6.704 3.012 1.00 0.00 H new ATOM 0 HA SER A 26 6.704 -5.713 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.439 -8.008 3.270 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.636 -7.037 4.104 1.00 0.00 H new ATOM 0 HG SER A 26 8.077 -8.951 5.289 1.00 0.00 H new ATOM 363 N PRO A 27 8.032 -4.380 3.375 1.00 0.00 N ATOM 364 CA PRO A 27 8.521 -3.367 2.435 1.00 0.00 C ATOM 365 C PRO A 27 8.701 -3.922 1.026 1.00 0.00 C ATOM 366 O PRO A 27 8.340 -3.276 0.043 1.00 0.00 O ATOM 367 CB PRO A 27 9.872 -2.957 3.026 1.00 0.00 C ATOM 368 CG PRO A 27 9.737 -3.206 4.488 1.00 0.00 C ATOM 369 CD PRO A 27 8.766 -4.354 4.652 1.00 0.00 C ATOM 0 HA PRO A 27 7.820 -2.540 2.326 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.685 -3.543 2.598 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.092 -1.909 2.822 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.703 -3.452 4.928 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.371 -2.315 4.999 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.286 -5.295 4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.095 -4.193 5.496 1.00 0.00 H new ATOM 377 N ASP A 28 9.262 -5.123 0.936 1.00 0.00 N ATOM 378 CA ASP A 28 9.490 -5.766 -0.352 1.00 0.00 C ATOM 379 C ASP A 28 8.188 -5.882 -1.139 1.00 0.00 C ATOM 380 O ASP A 28 8.017 -5.238 -2.174 1.00 0.00 O ATOM 381 CB ASP A 28 10.105 -7.153 -0.153 1.00 0.00 C ATOM 382 CG ASP A 28 11.589 -7.089 0.148 1.00 0.00 C ATOM 383 OD1 ASP A 28 12.265 -6.187 -0.387 1.00 0.00 O ATOM 384 OD2 ASP A 28 12.075 -7.943 0.920 1.00 0.00 O ATOM 0 H ASP A 28 9.567 -5.671 1.740 1.00 0.00 H new ATOM 0 HA ASP A 28 10.184 -5.148 -0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.593 -7.661 0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.944 -7.751 -1.050 1.00 0.00 H new ATOM 389 N SER A 29 7.273 -6.708 -0.641 1.00 0.00 N ATOM 390 CA SER A 29 5.988 -6.912 -1.300 1.00 0.00 C ATOM 391 C SER A 29 5.303 -5.578 -1.579 1.00 0.00 C ATOM 392 O SER A 29 5.027 -5.237 -2.730 1.00 0.00 O ATOM 393 CB SER A 29 5.083 -7.793 -0.437 1.00 0.00 C ATOM 394 OG SER A 29 4.022 -8.339 -1.202 1.00 0.00 O ATOM 0 H SER A 29 7.398 -7.247 0.216 1.00 0.00 H new ATOM 0 HA SER A 29 6.170 -7.413 -2.251 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.669 -8.599 0.005 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.677 -7.206 0.387 1.00 0.00 H new ATOM 0 HG SER A 29 3.459 -8.899 -0.628 1.00 0.00 H new ATOM 400 N LEU A 30 5.031 -4.827 -0.518 1.00 0.00 N ATOM 401 CA LEU A 30 4.377 -3.529 -0.647 1.00 0.00 C ATOM 402 C LEU A 30 4.960 -2.739 -1.815 1.00 0.00 C ATOM 403 O LEU A 30 4.245 -2.007 -2.500 1.00 0.00 O ATOM 404 CB LEU A 30 4.527 -2.729 0.649 1.00 0.00 C ATOM 405 CG LEU A 30 3.816 -1.376 0.688 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.346 -1.535 0.332 1.00 0.00 C ATOM 407 CD2 LEU A 30 3.969 -0.734 2.060 1.00 0.00 C ATOM 0 H LEU A 30 5.253 -5.094 0.441 1.00 0.00 H new ATOM 0 HA LEU A 30 3.318 -3.701 -0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.154 -3.337 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.589 -2.564 0.830 1.00 0.00 H new ATOM 0 HG LEU A 30 4.278 -0.722 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.856 -0.562 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.258 -1.952 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.869 -2.206 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.457 0.228 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.533 -1.385 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.027 -0.585 2.276 1.00 0.00 H new ATOM 419 N ARG A 31 6.260 -2.895 -2.038 1.00 0.00 N ATOM 420 CA ARG A 31 6.939 -2.198 -3.124 1.00 0.00 C ATOM 421 C ARG A 31 6.629 -2.853 -4.467 1.00 0.00 C ATOM 422 O ARG A 31 6.363 -2.168 -5.456 1.00 0.00 O ATOM 423 CB ARG A 31 8.450 -2.187 -2.886 1.00 0.00 C ATOM 424 CG ARG A 31 9.159 -1.009 -3.534 1.00 0.00 C ATOM 425 CD ARG A 31 10.657 -1.050 -3.276 1.00 0.00 C ATOM 426 NE ARG A 31 11.409 -0.324 -4.295 1.00 0.00 N ATOM 427 CZ ARG A 31 12.624 0.174 -4.097 1.00 0.00 C ATOM 428 NH1 ARG A 31 13.223 0.024 -2.923 1.00 0.00 N ATOM 429 NH2 ARG A 31 13.244 0.823 -5.074 1.00 0.00 N ATOM 0 H ARG A 31 6.865 -3.498 -1.481 1.00 0.00 H new ATOM 0 HA ARG A 31 6.575 -1.171 -3.147 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.640 -2.169 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.877 -3.113 -3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.973 -1.017 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.747 -0.077 -3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.868 -0.621 -2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.992 -2.087 -3.249 1.00 0.00 H new ATOM 0 HE ARG A 31 10.977 -0.192 -5.210 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.750 -0.475 -2.169 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.156 0.408 -2.774 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.787 0.940 -5.979 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.177 1.205 -4.921 1.00 0.00 H new ATOM 443 N ARG A 32 6.666 -4.181 -4.495 1.00 0.00 N ATOM 444 CA ARG A 32 6.392 -4.927 -5.717 1.00 0.00 C ATOM 445 C ARG A 32 4.939 -4.747 -6.149 1.00 0.00 C ATOM 446 O ARG A 32 4.561 -5.119 -7.260 1.00 0.00 O ATOM 447 CB ARG A 32 6.693 -6.413 -5.511 1.00 0.00 C ATOM 448 CG ARG A 32 8.123 -6.798 -5.854 1.00 0.00 C ATOM 449 CD ARG A 32 9.063 -6.547 -4.685 1.00 0.00 C ATOM 450 NE ARG A 32 10.455 -6.445 -5.115 1.00 0.00 N ATOM 451 CZ ARG A 32 11.480 -6.368 -4.274 1.00 0.00 C ATOM 452 NH1 ARG A 32 11.270 -6.381 -2.965 1.00 0.00 N ATOM 453 NH2 ARG A 32 12.719 -6.277 -4.742 1.00 0.00 N ATOM 0 H ARG A 32 6.883 -4.762 -3.685 1.00 0.00 H new ATOM 0 HA ARG A 32 7.039 -4.538 -6.503 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.495 -6.675 -4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.010 -7.002 -6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.161 -7.851 -6.133 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.457 -6.227 -6.720 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.772 -5.628 -4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.965 -7.356 -3.961 1.00 0.00 H new ATOM 0 HE ARG A 32 10.651 -6.432 -6.116 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.319 -6.450 -2.602 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.059 -6.322 -2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.884 -6.266 -5.748 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.505 -6.218 -4.095 1.00 0.00 H new ATOM 467 N VAL A 33 4.130 -4.175 -5.263 1.00 0.00 N ATOM 468 CA VAL A 33 2.720 -3.944 -5.553 1.00 0.00 C ATOM 469 C VAL A 33 2.543 -2.804 -6.549 1.00 0.00 C ATOM 470 O VAL A 33 1.677 -2.858 -7.423 1.00 0.00 O ATOM 471 CB VAL A 33 1.929 -3.620 -4.272 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.596 -2.975 -4.616 1.00 0.00 C ATOM 473 CG2 VAL A 33 1.725 -4.877 -3.440 1.00 0.00 C ATOM 0 H VAL A 33 4.427 -3.863 -4.338 1.00 0.00 H new ATOM 0 HA VAL A 33 2.332 -4.865 -5.987 1.00 0.00 H new ATOM 0 HB VAL A 33 2.506 -2.910 -3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.051 -2.753 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.770 -2.051 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.009 -3.658 -5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.164 -4.630 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.170 -5.613 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.694 -5.291 -3.162 1.00 0.00 H new ATOM 483 N PHE A 34 3.368 -1.772 -6.412 1.00 0.00 N ATOM 484 CA PHE A 34 3.303 -0.617 -7.299 1.00 0.00 C ATOM 485 C PHE A 34 4.376 -0.700 -8.380 1.00 0.00 C ATOM 486 O PHE A 34 4.158 -0.287 -9.519 1.00 0.00 O ATOM 487 CB PHE A 34 3.467 0.678 -6.500 1.00 0.00 C ATOM 488 CG PHE A 34 2.488 0.813 -5.370 1.00 0.00 C ATOM 489 CD1 PHE A 34 1.130 0.647 -5.589 1.00 0.00 C ATOM 490 CD2 PHE A 34 2.925 1.105 -4.088 1.00 0.00 C ATOM 491 CE1 PHE A 34 0.225 0.771 -4.551 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.025 1.230 -3.046 1.00 0.00 C ATOM 493 CZ PHE A 34 0.674 1.063 -3.278 1.00 0.00 C ATOM 0 H PHE A 34 4.090 -1.712 -5.694 1.00 0.00 H new ATOM 0 HA PHE A 34 2.325 -0.616 -7.781 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.480 0.723 -6.100 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.352 1.528 -7.173 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.774 0.418 -6.583 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.980 1.236 -3.901 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.831 0.640 -4.735 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.378 1.458 -2.051 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.030 1.161 -2.465 1.00 0.00 H new ATOM 503 N GLU A 35 5.536 -1.237 -8.014 1.00 0.00 N ATOM 504 CA GLU A 35 6.644 -1.374 -8.952 1.00 0.00 C ATOM 505 C GLU A 35 6.155 -1.898 -10.299 1.00 0.00 C ATOM 506 O GLU A 35 6.669 -1.517 -11.351 1.00 0.00 O ATOM 507 CB GLU A 35 7.710 -2.312 -8.384 1.00 0.00 C ATOM 508 CG GLU A 35 8.612 -1.655 -7.352 1.00 0.00 C ATOM 509 CD GLU A 35 9.797 -0.947 -7.979 1.00 0.00 C ATOM 510 OE1 GLU A 35 10.172 -1.311 -9.114 1.00 0.00 O ATOM 511 OE2 GLU A 35 10.349 -0.030 -7.337 1.00 0.00 O ATOM 0 H GLU A 35 5.733 -1.584 -7.075 1.00 0.00 H new ATOM 0 HA GLU A 35 7.082 -0.387 -9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.220 -3.173 -7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.323 -2.689 -9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.031 -0.938 -6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.973 -2.412 -6.656 1.00 0.00 H new ATOM 518 N LYS A 36 5.158 -2.776 -10.259 1.00 0.00 N ATOM 519 CA LYS A 36 4.598 -3.354 -11.475 1.00 0.00 C ATOM 520 C LYS A 36 4.292 -2.268 -12.502 1.00 0.00 C ATOM 521 O LYS A 36 4.511 -2.454 -13.700 1.00 0.00 O ATOM 522 CB LYS A 36 3.324 -4.138 -11.151 1.00 0.00 C ATOM 523 CG LYS A 36 3.589 -5.540 -10.631 1.00 0.00 C ATOM 524 CD LYS A 36 2.331 -6.393 -10.663 1.00 0.00 C ATOM 525 CE LYS A 36 1.474 -6.167 -9.427 1.00 0.00 C ATOM 526 NZ LYS A 36 0.537 -5.023 -9.603 1.00 0.00 N ATOM 0 H LYS A 36 4.721 -3.103 -9.397 1.00 0.00 H new ATOM 0 HA LYS A 36 5.337 -4.033 -11.899 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.747 -3.587 -10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.709 -4.203 -12.049 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.365 -6.012 -11.233 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.967 -5.485 -9.610 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.753 -6.157 -11.556 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.605 -7.446 -10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.906 -7.071 -9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.118 -5.980 -8.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.721 -4.308 -8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.678 -4.600 -10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.443 -5.361 -9.519 1.00 0.00 H new ATOM 540 N TYR A 37 3.786 -1.136 -12.027 1.00 0.00 N ATOM 541 CA TYR A 37 3.450 -0.021 -12.905 1.00 0.00 C ATOM 542 C TYR A 37 4.461 1.112 -12.759 1.00 0.00 C ATOM 543 O TYR A 37 4.984 1.624 -13.747 1.00 0.00 O ATOM 544 CB TYR A 37 2.043 0.493 -12.595 1.00 0.00 C ATOM 545 CG TYR A 37 1.038 -0.608 -12.342 1.00 0.00 C ATOM 546 CD1 TYR A 37 0.349 -1.202 -13.391 1.00 0.00 C ATOM 547 CD2 TYR A 37 0.780 -1.056 -11.052 1.00 0.00 C ATOM 548 CE1 TYR A 37 -0.570 -2.208 -13.164 1.00 0.00 C ATOM 549 CE2 TYR A 37 -0.137 -2.062 -10.815 1.00 0.00 C ATOM 550 CZ TYR A 37 -0.810 -2.634 -11.875 1.00 0.00 C ATOM 551 OH TYR A 37 -1.724 -3.637 -11.644 1.00 0.00 O ATOM 0 H TYR A 37 3.599 -0.966 -11.039 1.00 0.00 H new ATOM 0 HA TYR A 37 3.480 -0.380 -13.934 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.087 1.141 -11.720 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.697 1.105 -13.428 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.535 -0.872 -14.402 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.305 -0.610 -10.220 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.098 -2.658 -13.992 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.326 -2.399 -9.806 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.774 -3.819 -10.682 1.00 0.00 H new ATOM 561 N GLY A 38 4.732 1.498 -11.515 1.00 0.00 N ATOM 562 CA GLY A 38 5.680 2.567 -11.260 1.00 0.00 C ATOM 563 C GLY A 38 6.551 2.293 -10.051 1.00 0.00 C ATOM 564 O GLY A 38 6.089 1.727 -9.060 1.00 0.00 O ATOM 0 H GLY A 38 4.312 1.089 -10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.313 2.704 -12.137 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.138 3.501 -11.109 1.00 0.00 H new ATOM 568 N ARG A 39 7.816 2.693 -10.131 1.00 0.00 N ATOM 569 CA ARG A 39 8.755 2.485 -9.035 1.00 0.00 C ATOM 570 C ARG A 39 8.305 3.235 -7.784 1.00 0.00 C ATOM 571 O ARG A 39 7.595 4.237 -7.870 1.00 0.00 O ATOM 572 CB ARG A 39 10.156 2.945 -9.442 1.00 0.00 C ATOM 573 CG ARG A 39 10.209 4.386 -9.922 1.00 0.00 C ATOM 574 CD ARG A 39 11.320 4.593 -10.940 1.00 0.00 C ATOM 575 NE ARG A 39 11.153 3.741 -12.114 1.00 0.00 N ATOM 576 CZ ARG A 39 11.920 3.821 -13.195 1.00 0.00 C ATOM 577 NH1 ARG A 39 12.903 4.709 -13.251 1.00 0.00 N ATOM 578 NH2 ARG A 39 11.705 3.011 -14.224 1.00 0.00 N ATOM 0 H ARG A 39 8.214 3.163 -10.944 1.00 0.00 H new ATOM 0 HA ARG A 39 8.781 1.419 -8.809 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.828 2.829 -8.592 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.527 2.294 -10.233 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.252 4.658 -10.366 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.366 5.049 -9.071 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.337 5.638 -11.250 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.283 4.383 -10.474 1.00 0.00 H new ATOM 0 HE ARG A 39 10.406 3.046 -12.103 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.072 5.333 -12.462 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.490 4.768 -14.083 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.950 2.326 -14.185 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.295 3.073 -15.054 1.00 0.00 H new ATOM 592 N VAL A 40 8.722 2.741 -6.623 1.00 0.00 N ATOM 593 CA VAL A 40 8.363 3.364 -5.354 1.00 0.00 C ATOM 594 C VAL A 40 9.523 4.181 -4.796 1.00 0.00 C ATOM 595 O VAL A 40 10.544 3.631 -4.387 1.00 0.00 O ATOM 596 CB VAL A 40 7.942 2.312 -4.312 1.00 0.00 C ATOM 597 CG1 VAL A 40 7.874 2.932 -2.924 1.00 0.00 C ATOM 598 CG2 VAL A 40 6.608 1.689 -4.693 1.00 0.00 C ATOM 0 H VAL A 40 9.309 1.911 -6.534 1.00 0.00 H new ATOM 0 HA VAL A 40 7.519 4.025 -5.553 1.00 0.00 H new ATOM 0 HB VAL A 40 8.693 1.523 -4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.575 2.173 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.854 3.325 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.145 3.742 -2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.326 0.948 -3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.844 2.465 -4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.696 1.207 -5.667 1.00 0.00 H new ATOM 608 N GLY A 41 9.357 5.501 -4.781 1.00 0.00 N ATOM 609 CA GLY A 41 10.398 6.374 -4.271 1.00 0.00 C ATOM 610 C GLY A 41 10.930 5.916 -2.927 1.00 0.00 C ATOM 611 O GLY A 41 12.142 5.866 -2.717 1.00 0.00 O ATOM 0 H GLY A 41 8.520 5.981 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.218 6.415 -4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.006 7.387 -4.177 1.00 0.00 H new ATOM 615 N ASP A 42 10.023 5.585 -2.015 1.00 0.00 N ATOM 616 CA ASP A 42 10.408 5.130 -0.684 1.00 0.00 C ATOM 617 C ASP A 42 9.237 4.447 0.016 1.00 0.00 C ATOM 618 O ASP A 42 8.130 4.983 0.065 1.00 0.00 O ATOM 619 CB ASP A 42 10.904 6.307 0.157 1.00 0.00 C ATOM 620 CG ASP A 42 11.703 7.305 -0.659 1.00 0.00 C ATOM 621 OD1 ASP A 42 11.087 8.066 -1.433 1.00 0.00 O ATOM 622 OD2 ASP A 42 12.945 7.324 -0.523 1.00 0.00 O ATOM 0 H ASP A 42 9.016 5.623 -2.173 1.00 0.00 H new ATOM 0 HA ASP A 42 11.215 4.406 -0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.050 6.812 0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.521 5.932 0.973 1.00 0.00 H new ATOM 627 N VAL A 43 9.490 3.259 0.558 1.00 0.00 N ATOM 628 CA VAL A 43 8.458 2.502 1.256 1.00 0.00 C ATOM 629 C VAL A 43 8.596 2.648 2.767 1.00 0.00 C ATOM 630 O VAL A 43 9.605 2.253 3.350 1.00 0.00 O ATOM 631 CB VAL A 43 8.513 1.007 0.888 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.271 0.287 1.391 1.00 0.00 C ATOM 633 CG2 VAL A 43 8.669 0.833 -0.615 1.00 0.00 C ATOM 0 H VAL A 43 10.401 2.801 0.527 1.00 0.00 H new ATOM 0 HA VAL A 43 7.498 2.911 0.941 1.00 0.00 H new ATOM 0 HB VAL A 43 9.382 0.563 1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.328 -0.768 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.209 0.382 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.385 0.730 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.706 -0.229 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.821 1.292 -1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.592 1.312 -0.943 1.00 0.00 H new ATOM 643 N TYR A 44 7.574 3.219 3.396 1.00 0.00 N ATOM 644 CA TYR A 44 7.582 3.419 4.840 1.00 0.00 C ATOM 645 C TYR A 44 6.448 2.644 5.504 1.00 0.00 C ATOM 646 O TYR A 44 5.305 2.681 5.047 1.00 0.00 O ATOM 647 CB TYR A 44 7.458 4.908 5.170 1.00 0.00 C ATOM 648 CG TYR A 44 7.542 5.209 6.649 1.00 0.00 C ATOM 649 CD1 TYR A 44 8.772 5.357 7.279 1.00 0.00 C ATOM 650 CD2 TYR A 44 6.392 5.345 7.417 1.00 0.00 C ATOM 651 CE1 TYR A 44 8.853 5.632 8.630 1.00 0.00 C ATOM 652 CE2 TYR A 44 6.464 5.622 8.768 1.00 0.00 C ATOM 653 CZ TYR A 44 7.697 5.764 9.370 1.00 0.00 C ATOM 654 OH TYR A 44 7.773 6.038 10.717 1.00 0.00 O ATOM 0 H TYR A 44 6.730 3.551 2.929 1.00 0.00 H new ATOM 0 HA TYR A 44 8.529 3.045 5.228 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.246 5.453 4.651 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.508 5.279 4.786 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.680 5.255 6.702 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.425 5.232 6.949 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.817 5.743 9.104 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.560 5.727 9.350 1.00 0.00 H new ATOM 0 HH TYR A 44 6.869 6.101 11.090 1.00 0.00 H new ATOM 664 N ILE A 45 6.773 1.942 6.584 1.00 0.00 N ATOM 665 CA ILE A 45 5.783 1.159 7.312 1.00 0.00 C ATOM 666 C ILE A 45 5.857 1.436 8.810 1.00 0.00 C ATOM 667 O ILE A 45 6.668 0.859 9.534 1.00 0.00 O ATOM 668 CB ILE A 45 5.970 -0.350 7.071 1.00 0.00 C ATOM 669 CG1 ILE A 45 5.917 -0.660 5.573 1.00 0.00 C ATOM 670 CG2 ILE A 45 4.909 -1.143 7.819 1.00 0.00 C ATOM 671 CD1 ILE A 45 6.305 -2.082 5.236 1.00 0.00 C ATOM 0 H ILE A 45 7.714 1.900 6.974 1.00 0.00 H new ATOM 0 HA ILE A 45 4.805 1.460 6.937 1.00 0.00 H new ATOM 0 HB ILE A 45 6.949 -0.644 7.450 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.908 -0.471 5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.581 0.024 5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.056 -2.208 7.638 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.990 -0.942 8.887 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.920 -0.848 7.469 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.245 -2.230 4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.325 -2.270 5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.626 -2.773 5.736 1.00 0.00 H new ATOM 683 N PRO A 46 4.988 2.339 9.289 1.00 0.00 N ATOM 684 CA PRO A 46 4.933 2.711 10.705 1.00 0.00 C ATOM 685 C PRO A 46 5.007 1.499 11.627 1.00 0.00 C ATOM 686 O PRO A 46 4.411 0.458 11.348 1.00 0.00 O ATOM 687 CB PRO A 46 3.573 3.402 10.838 1.00 0.00 C ATOM 688 CG PRO A 46 3.300 3.963 9.485 1.00 0.00 C ATOM 689 CD PRO A 46 3.992 3.066 8.483 1.00 0.00 C ATOM 0 HA PRO A 46 5.776 3.339 10.994 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.798 2.697 11.138 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.600 4.187 11.594 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.228 4.000 9.293 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.673 4.984 9.409 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.289 2.383 8.005 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.465 3.644 7.689 1.00 0.00 H new ATOM 851 N GLY A 56 -1.459 -0.805 10.477 1.00 0.00 N ATOM 852 CA GLY A 56 -2.449 -1.061 9.447 1.00 0.00 C ATOM 853 C GLY A 56 -2.247 -0.193 8.221 1.00 0.00 C ATOM 854 O GLY A 56 -2.467 -0.638 7.094 1.00 0.00 O ATOM 0 HA2 GLY A 56 -2.404 -2.111 9.157 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.445 -0.885 9.853 1.00 0.00 H new ATOM 858 N PHE A 57 -1.828 1.049 8.439 1.00 0.00 N ATOM 859 CA PHE A 57 -1.598 1.982 7.342 1.00 0.00 C ATOM 860 C PHE A 57 -0.111 2.088 7.020 1.00 0.00 C ATOM 861 O PHE A 57 0.739 1.803 7.863 1.00 0.00 O ATOM 862 CB PHE A 57 -2.155 3.363 7.695 1.00 0.00 C ATOM 863 CG PHE A 57 -1.468 4.005 8.866 1.00 0.00 C ATOM 864 CD1 PHE A 57 -0.294 4.720 8.691 1.00 0.00 C ATOM 865 CD2 PHE A 57 -1.996 3.894 10.142 1.00 0.00 C ATOM 866 CE1 PHE A 57 0.341 5.312 9.767 1.00 0.00 C ATOM 867 CE2 PHE A 57 -1.366 4.484 11.222 1.00 0.00 C ATOM 868 CZ PHE A 57 -0.196 5.193 11.034 1.00 0.00 C ATOM 0 H PHE A 57 -1.641 1.433 9.365 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.116 1.603 6.461 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.063 4.016 6.827 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.219 3.272 7.913 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.130 4.816 7.702 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.910 3.340 10.295 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.255 5.867 9.617 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.788 4.390 12.212 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.298 5.654 11.876 1.00 0.00 H new ATOM 878 N ALA A 58 0.195 2.500 5.794 1.00 0.00 N ATOM 879 CA ALA A 58 1.579 2.645 5.361 1.00 0.00 C ATOM 880 C ALA A 58 1.730 3.808 4.386 1.00 0.00 C ATOM 881 O ALA A 58 0.740 4.347 3.889 1.00 0.00 O ATOM 882 CB ALA A 58 2.071 1.354 4.725 1.00 0.00 C ATOM 0 H ALA A 58 -0.497 2.739 5.084 1.00 0.00 H new ATOM 0 HA ALA A 58 2.188 2.860 6.239 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.106 1.477 4.406 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.009 0.544 5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.451 1.115 3.861 1.00 0.00 H new ATOM 888 N PHE A 59 2.973 4.191 4.116 1.00 0.00 N ATOM 889 CA PHE A 59 3.253 5.292 3.201 1.00 0.00 C ATOM 890 C PHE A 59 4.156 4.834 2.059 1.00 0.00 C ATOM 891 O PHE A 59 5.116 4.094 2.271 1.00 0.00 O ATOM 892 CB PHE A 59 3.910 6.452 3.952 1.00 0.00 C ATOM 893 CG PHE A 59 2.946 7.253 4.780 1.00 0.00 C ATOM 894 CD1 PHE A 59 2.067 8.139 4.180 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.920 7.118 6.159 1.00 0.00 C ATOM 896 CE1 PHE A 59 1.179 8.877 4.940 1.00 0.00 C ATOM 897 CE2 PHE A 59 2.034 7.854 6.924 1.00 0.00 C ATOM 898 CZ PHE A 59 1.162 8.734 6.314 1.00 0.00 C ATOM 0 H PHE A 59 3.803 3.755 4.518 1.00 0.00 H new ATOM 0 HA PHE A 59 2.307 5.631 2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.693 6.058 4.600 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.394 7.112 3.233 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.075 8.255 3.106 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.599 6.431 6.641 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.499 9.565 4.460 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.024 7.741 7.998 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.468 9.309 6.910 1.00 0.00 H new ATOM 908 N VAL A 60 3.839 5.279 0.848 1.00 0.00 N ATOM 909 CA VAL A 60 4.620 4.916 -0.329 1.00 0.00 C ATOM 910 C VAL A 60 4.904 6.137 -1.198 1.00 0.00 C ATOM 911 O VAL A 60 3.983 6.808 -1.663 1.00 0.00 O ATOM 912 CB VAL A 60 3.897 3.853 -1.177 1.00 0.00 C ATOM 913 CG1 VAL A 60 4.711 3.514 -2.416 1.00 0.00 C ATOM 914 CG2 VAL A 60 3.627 2.606 -0.349 1.00 0.00 C ATOM 0 H VAL A 60 3.047 5.892 0.656 1.00 0.00 H new ATOM 0 HA VAL A 60 5.562 4.503 0.031 1.00 0.00 H new ATOM 0 HB VAL A 60 2.940 4.261 -1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.184 2.761 -3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.849 4.412 -3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.684 3.125 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.116 1.865 -0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.571 2.194 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.000 2.865 0.504 1.00 0.00 H new ATOM 924 N ARG A 61 6.185 6.418 -1.413 1.00 0.00 N ATOM 925 CA ARG A 61 6.591 7.558 -2.226 1.00 0.00 C ATOM 926 C ARG A 61 6.738 7.156 -3.691 1.00 0.00 C ATOM 927 O ARG A 61 7.092 6.019 -4.001 1.00 0.00 O ATOM 928 CB ARG A 61 7.910 8.135 -1.709 1.00 0.00 C ATOM 929 CG ARG A 61 7.756 8.976 -0.453 1.00 0.00 C ATOM 930 CD ARG A 61 7.473 10.432 -0.788 1.00 0.00 C ATOM 931 NE ARG A 61 7.326 11.252 0.412 1.00 0.00 N ATOM 932 CZ ARG A 61 8.352 11.733 1.104 1.00 0.00 C ATOM 933 NH1 ARG A 61 9.595 11.479 0.716 1.00 0.00 N ATOM 934 NH2 ARG A 61 8.138 12.471 2.186 1.00 0.00 N ATOM 0 H ARG A 61 6.959 5.872 -1.036 1.00 0.00 H new ATOM 0 HA ARG A 61 5.815 8.320 -2.153 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.600 7.316 -1.505 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.361 8.745 -2.491 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.944 8.577 0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.665 8.909 0.145 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.284 10.827 -1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.563 10.496 -1.385 1.00 0.00 H new ATOM 0 HE ARG A 61 6.383 11.467 0.736 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.764 10.913 -0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.382 11.850 1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.184 12.670 2.487 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.928 12.840 2.716 1.00 0.00 H new ATOM 948 N PHE A 62 6.463 8.098 -4.587 1.00 0.00 N ATOM 949 CA PHE A 62 6.563 7.842 -6.019 1.00 0.00 C ATOM 950 C PHE A 62 7.341 8.954 -6.717 1.00 0.00 C ATOM 951 O PHE A 62 7.329 10.105 -6.280 1.00 0.00 O ATOM 952 CB PHE A 62 5.168 7.717 -6.635 1.00 0.00 C ATOM 953 CG PHE A 62 4.442 6.467 -6.227 1.00 0.00 C ATOM 954 CD1 PHE A 62 4.077 6.263 -4.906 1.00 0.00 C ATOM 955 CD2 PHE A 62 4.125 5.497 -7.163 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.410 5.113 -4.527 1.00 0.00 C ATOM 957 CE2 PHE A 62 3.457 4.345 -6.791 1.00 0.00 C ATOM 958 CZ PHE A 62 3.098 4.154 -5.471 1.00 0.00 C ATOM 0 H PHE A 62 6.169 9.045 -4.347 1.00 0.00 H new ATOM 0 HA PHE A 62 7.100 6.904 -6.158 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.573 8.584 -6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.256 7.738 -7.721 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.316 7.011 -4.164 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.403 5.642 -8.196 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.133 4.964 -3.494 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.216 3.596 -7.531 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.574 3.256 -5.177 1.00 0.00 H new ATOM 968 N HIS A 63 8.018 8.601 -7.805 1.00 0.00 N ATOM 969 CA HIS A 63 8.803 9.568 -8.565 1.00 0.00 C ATOM 970 C HIS A 63 7.909 10.385 -9.492 1.00 0.00 C ATOM 971 O HIS A 63 8.013 11.610 -9.551 1.00 0.00 O ATOM 972 CB HIS A 63 9.883 8.854 -9.377 1.00 0.00 C ATOM 973 CG HIS A 63 11.132 8.573 -8.598 1.00 0.00 C ATOM 974 ND1 HIS A 63 12.323 9.229 -8.824 1.00 0.00 N ATOM 975 CD2 HIS A 63 11.369 7.702 -7.590 1.00 0.00 C ATOM 976 CE1 HIS A 63 13.240 8.773 -7.990 1.00 0.00 C ATOM 977 NE2 HIS A 63 12.686 7.845 -7.229 1.00 0.00 N ATOM 0 H HIS A 63 8.039 7.653 -8.180 1.00 0.00 H new ATOM 0 HA HIS A 63 9.280 10.247 -7.858 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.480 7.914 -9.754 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.135 9.463 -10.245 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.655 7.021 -7.151 1.00 0.00 H new ATOM 0 HE1 HIS A 63 14.267 9.102 -7.939 1.00 0.00 H new ATOM 0 HE2 HIS A 63 13.160 7.321 -6.493 1.00 0.00 H new ATOM 985 N ASP A 64 7.031 9.698 -10.215 1.00 0.00 N ATOM 986 CA ASP A 64 6.118 10.360 -11.140 1.00 0.00 C ATOM 987 C ASP A 64 4.700 10.388 -10.577 1.00 0.00 C ATOM 988 O ASP A 64 4.436 9.843 -9.505 1.00 0.00 O ATOM 989 CB ASP A 64 6.128 9.651 -12.495 1.00 0.00 C ATOM 990 CG ASP A 64 7.296 10.077 -13.363 1.00 0.00 C ATOM 991 OD1 ASP A 64 8.427 9.617 -13.102 1.00 0.00 O ATOM 992 OD2 ASP A 64 7.079 10.872 -14.302 1.00 0.00 O ATOM 0 H ASP A 64 6.932 8.683 -10.178 1.00 0.00 H new ATOM 0 HA ASP A 64 6.457 11.387 -11.274 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.170 8.573 -12.338 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.195 9.860 -13.018 1.00 0.00 H new ATOM 997 N ARG A 65 3.792 11.028 -11.307 1.00 0.00 N ATOM 998 CA ARG A 65 2.402 11.129 -10.879 1.00 0.00 C ATOM 999 C ARG A 65 1.511 10.203 -11.702 1.00 0.00 C ATOM 1000 O ARG A 65 0.606 9.561 -11.169 1.00 0.00 O ATOM 1001 CB ARG A 65 1.911 12.572 -11.006 1.00 0.00 C ATOM 1002 CG ARG A 65 0.454 12.757 -10.614 1.00 0.00 C ATOM 1003 CD ARG A 65 0.182 14.172 -10.128 1.00 0.00 C ATOM 1004 NE ARG A 65 -1.194 14.338 -9.668 1.00 0.00 N ATOM 1005 CZ ARG A 65 -2.238 14.410 -10.485 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -2.065 14.330 -11.797 1.00 0.00 N ATOM 1007 NH2 ARG A 65 -3.460 14.561 -9.990 1.00 0.00 N ATOM 0 H ARG A 65 3.994 11.484 -12.197 1.00 0.00 H new ATOM 0 HA ARG A 65 2.347 10.824 -9.834 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.531 13.214 -10.380 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.046 12.903 -12.036 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.185 12.536 -11.469 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.194 12.046 -9.830 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.867 14.414 -9.316 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.382 14.877 -10.935 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.362 14.402 -8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.128 14.213 -12.182 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.869 14.386 -12.422 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.598 14.622 -8.981 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.262 14.616 -10.618 1.00 0.00 H new ATOM 1021 N ARG A 66 1.774 10.140 -13.003 1.00 0.00 N ATOM 1022 CA ARG A 66 0.995 9.295 -13.900 1.00 0.00 C ATOM 1023 C ARG A 66 1.140 7.824 -13.523 1.00 0.00 C ATOM 1024 O ARG A 66 0.148 7.109 -13.379 1.00 0.00 O ATOM 1025 CB ARG A 66 1.439 9.507 -15.349 1.00 0.00 C ATOM 1026 CG ARG A 66 0.801 8.537 -16.330 1.00 0.00 C ATOM 1027 CD ARG A 66 -0.610 8.966 -16.699 1.00 0.00 C ATOM 1028 NE ARG A 66 -0.617 9.958 -17.771 1.00 0.00 N ATOM 1029 CZ ARG A 66 -1.710 10.596 -18.176 1.00 0.00 C ATOM 1030 NH1 ARG A 66 -2.878 10.347 -17.600 1.00 0.00 N ATOM 1031 NH2 ARG A 66 -1.636 11.485 -19.158 1.00 0.00 N ATOM 0 H ARG A 66 2.521 10.664 -13.459 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.054 9.576 -13.804 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.196 10.526 -15.649 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.523 9.408 -15.406 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.411 8.475 -17.231 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.776 7.539 -15.893 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.185 8.093 -17.009 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.105 9.378 -15.820 1.00 0.00 H new ATOM 0 HE ARG A 66 0.266 10.173 -18.234 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.939 9.665 -16.844 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.716 10.838 -17.912 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.739 11.680 -19.603 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.476 11.974 -19.468 1.00 0.00 H new ATOM 1045 N ASP A 67 2.381 7.378 -13.363 1.00 0.00 N ATOM 1046 CA ASP A 67 2.656 5.993 -13.002 1.00 0.00 C ATOM 1047 C ASP A 67 1.977 5.630 -11.684 1.00 0.00 C ATOM 1048 O ASP A 67 1.577 4.485 -11.475 1.00 0.00 O ATOM 1049 CB ASP A 67 4.164 5.761 -12.894 1.00 0.00 C ATOM 1050 CG ASP A 67 4.837 5.692 -14.250 1.00 0.00 C ATOM 1051 OD1 ASP A 67 4.709 4.648 -14.924 1.00 0.00 O ATOM 1052 OD2 ASP A 67 5.494 6.681 -14.638 1.00 0.00 O ATOM 0 H ASP A 67 3.213 7.957 -13.478 1.00 0.00 H new ATOM 0 HA ASP A 67 2.253 5.352 -13.786 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.612 6.565 -12.310 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.348 4.833 -12.352 1.00 0.00 H new ATOM 1057 N ALA A 68 1.852 6.613 -10.799 1.00 0.00 N ATOM 1058 CA ALA A 68 1.222 6.398 -9.502 1.00 0.00 C ATOM 1059 C ALA A 68 -0.294 6.302 -9.638 1.00 0.00 C ATOM 1060 O ALA A 68 -0.943 5.537 -8.925 1.00 0.00 O ATOM 1061 CB ALA A 68 1.598 7.515 -8.541 1.00 0.00 C ATOM 0 H ALA A 68 2.179 7.566 -10.956 1.00 0.00 H new ATOM 0 HA ALA A 68 1.585 5.452 -9.101 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.120 7.341 -7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.680 7.535 -8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.263 8.470 -8.945 1.00 0.00 H new ATOM 1067 N GLN A 69 -0.852 7.084 -10.557 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.292 7.087 -10.785 1.00 0.00 C ATOM 1069 C GLN A 69 -2.786 5.697 -11.171 1.00 0.00 C ATOM 1070 O GLN A 69 -3.810 5.230 -10.672 1.00 0.00 O ATOM 1071 CB GLN A 69 -2.654 8.092 -11.880 1.00 0.00 C ATOM 1072 CG GLN A 69 -2.946 9.488 -11.352 1.00 0.00 C ATOM 1073 CD GLN A 69 -4.260 9.565 -10.600 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -4.215 9.292 -9.301 1.00 0.00 O flip ATOM 1075 NE2 GLN A 69 -5.303 9.866 -11.180 1.00 0.00 N flip ATOM 0 H GLN A 69 -0.329 7.723 -11.155 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.780 7.380 -9.856 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.834 8.148 -12.596 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.527 7.728 -12.422 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.136 9.800 -10.693 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.967 10.190 -12.185 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.291 10.068 -12.180 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.180 9.914 -10.661 1.00 0.00 H new ATOM 1084 N ASP A 70 -2.051 5.040 -12.062 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.414 3.703 -12.515 1.00 0.00 C ATOM 1086 C ASP A 70 -2.416 2.717 -11.351 1.00 0.00 C ATOM 1087 O ASP A 70 -3.377 1.974 -11.155 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.446 3.228 -13.600 1.00 0.00 C ATOM 1089 CG ASP A 70 -2.098 2.276 -14.582 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -2.666 1.257 -14.134 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -2.042 2.549 -15.799 1.00 0.00 O ATOM 0 H ASP A 70 -1.200 5.412 -12.484 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.420 3.748 -12.932 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.058 4.092 -14.140 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.594 2.735 -13.132 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.332 2.715 -10.582 1.00 0.00 N ATOM 1097 CA ALA A 71 -1.209 1.821 -9.437 1.00 0.00 C ATOM 1098 C ALA A 71 -2.366 2.015 -8.463 1.00 0.00 C ATOM 1099 O ALA A 71 -3.006 1.051 -8.046 1.00 0.00 O ATOM 1100 CB ALA A 71 0.120 2.047 -8.732 1.00 0.00 C ATOM 0 H ALA A 71 -0.526 3.323 -10.731 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.244 0.795 -9.803 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.199 1.373 -7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.938 1.851 -9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.177 3.079 -8.385 1.00 0.00 H new ATOM 1106 N GLU A 72 -2.628 3.268 -8.103 1.00 0.00 N ATOM 1107 CA GLU A 72 -3.707 3.587 -7.176 1.00 0.00 C ATOM 1108 C GLU A 72 -5.034 3.018 -7.671 1.00 0.00 C ATOM 1109 O GLU A 72 -5.628 2.153 -7.029 1.00 0.00 O ATOM 1110 CB GLU A 72 -3.824 5.102 -6.996 1.00 0.00 C ATOM 1111 CG GLU A 72 -4.621 5.509 -5.768 1.00 0.00 C ATOM 1112 CD GLU A 72 -6.117 5.493 -6.011 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -6.561 6.087 -7.016 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -6.845 4.886 -5.197 1.00 0.00 O ATOM 0 H GLU A 72 -2.108 4.078 -8.439 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.472 3.132 -6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.824 5.530 -6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.294 5.530 -7.882 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.383 4.834 -4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.318 6.509 -5.458 1.00 0.00 H new ATOM 1121 N ALA A 73 -5.493 3.513 -8.816 1.00 0.00 N ATOM 1122 CA ALA A 73 -6.749 3.054 -9.397 1.00 0.00 C ATOM 1123 C ALA A 73 -6.776 1.534 -9.516 1.00 0.00 C ATOM 1124 O ALA A 73 -7.719 0.884 -9.067 1.00 0.00 O ATOM 1125 CB ALA A 73 -6.964 3.695 -10.760 1.00 0.00 C ATOM 0 H ALA A 73 -5.014 4.231 -9.359 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.559 3.355 -8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.905 3.344 -11.183 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.997 4.779 -10.651 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.144 3.422 -11.424 1.00 0.00 H new ATOM 1131 N ALA A 74 -5.735 0.974 -10.123 1.00 0.00 N ATOM 1132 CA ALA A 74 -5.639 -0.470 -10.299 1.00 0.00 C ATOM 1133 C ALA A 74 -5.794 -1.197 -8.967 1.00 0.00 C ATOM 1134 O ALA A 74 -6.427 -2.250 -8.895 1.00 0.00 O ATOM 1135 CB ALA A 74 -4.313 -0.836 -10.950 1.00 0.00 C ATOM 0 H ALA A 74 -4.946 1.498 -10.501 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.452 -0.786 -10.953 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.255 -1.917 -11.075 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.241 -0.354 -11.925 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.492 -0.500 -10.317 1.00 0.00 H new ATOM 1141 N MET A 75 -5.212 -0.628 -7.917 1.00 0.00 N ATOM 1142 CA MET A 75 -5.287 -1.223 -6.587 1.00 0.00 C ATOM 1143 C MET A 75 -6.607 -0.873 -5.909 1.00 0.00 C ATOM 1144 O MET A 75 -7.504 -1.710 -5.805 1.00 0.00 O ATOM 1145 CB MET A 75 -4.115 -0.748 -5.726 1.00 0.00 C ATOM 1146 CG MET A 75 -2.887 -1.638 -5.825 1.00 0.00 C ATOM 1147 SD MET A 75 -2.888 -2.961 -4.599 1.00 0.00 S ATOM 1148 CE MET A 75 -2.074 -4.269 -5.513 1.00 0.00 C ATOM 0 H MET A 75 -4.684 0.243 -7.961 1.00 0.00 H new ATOM 0 HA MET A 75 -5.232 -2.306 -6.697 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.844 0.265 -6.023 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.436 -0.700 -4.685 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.838 -2.073 -6.823 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.991 -1.030 -5.697 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.488 -4.882 -4.828 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.823 -4.890 -6.005 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.415 -3.833 -6.263 1.00 0.00 H new ATOM 1158 N ASP A 76 -6.719 0.368 -5.448 1.00 0.00 N ATOM 1159 CA ASP A 76 -7.931 0.829 -4.779 1.00 0.00 C ATOM 1160 C ASP A 76 -9.169 0.178 -5.389 1.00 0.00 C ATOM 1161 O ASP A 76 -9.609 0.554 -6.474 1.00 0.00 O ATOM 1162 CB ASP A 76 -8.042 2.351 -4.872 1.00 0.00 C ATOM 1163 CG ASP A 76 -9.481 2.829 -4.851 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -10.301 2.209 -4.143 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -9.786 3.822 -5.544 1.00 0.00 O ATOM 0 H ASP A 76 -5.986 1.073 -5.525 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.870 0.540 -3.730 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.500 2.803 -4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.562 2.692 -5.789 1.00 0.00 H new ATOM 1170 N GLY A 77 -9.725 -0.802 -4.683 1.00 0.00 N ATOM 1171 CA GLY A 77 -10.906 -1.490 -5.171 1.00 0.00 C ATOM 1172 C GLY A 77 -10.588 -2.864 -5.727 1.00 0.00 C ATOM 1173 O GLY A 77 -11.213 -3.312 -6.688 1.00 0.00 O ATOM 0 H GLY A 77 -9.379 -1.132 -3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.627 -1.588 -4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.379 -0.888 -5.947 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.611 -3.533 -5.123 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.212 -4.864 -5.564 1.00 0.00 C ATOM 1179 C ALA A 78 -9.526 -5.912 -4.501 1.00 0.00 C ATOM 1180 O ALA A 78 -9.888 -5.576 -3.374 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.729 -4.884 -5.905 1.00 0.00 C ATOM 0 H ALA A 78 -9.082 -3.175 -4.328 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.783 -5.110 -6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.444 -5.884 -6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.530 -4.170 -6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.149 -4.613 -5.023 1.00 0.00 H new ATOM 1187 N GLU A 79 -9.387 -7.181 -4.869 1.00 0.00 N ATOM 1188 CA GLU A 79 -9.658 -8.278 -3.947 1.00 0.00 C ATOM 1189 C GLU A 79 -8.374 -9.024 -3.596 1.00 0.00 C ATOM 1190 O GLU A 79 -7.937 -9.910 -4.331 1.00 0.00 O ATOM 1191 CB GLU A 79 -10.674 -9.246 -4.556 1.00 0.00 C ATOM 1192 CG GLU A 79 -11.034 -10.405 -3.641 1.00 0.00 C ATOM 1193 CD GLU A 79 -12.295 -11.124 -4.079 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -13.394 -10.697 -3.669 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -12.182 -12.115 -4.832 1.00 0.00 O ATOM 0 H GLU A 79 -9.088 -7.475 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.073 -7.856 -3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.581 -8.697 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.272 -9.642 -5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.206 -11.114 -3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.166 -10.033 -2.625 1.00 0.00 H new ATOM 1202 N LEU A 80 -7.774 -8.659 -2.468 1.00 0.00 N ATOM 1203 CA LEU A 80 -6.539 -9.292 -2.019 1.00 0.00 C ATOM 1204 C LEU A 80 -6.656 -9.743 -0.566 1.00 0.00 C ATOM 1205 O LEU A 80 -7.034 -8.962 0.308 1.00 0.00 O ATOM 1206 CB LEU A 80 -5.362 -8.327 -2.172 1.00 0.00 C ATOM 1207 CG LEU A 80 -4.849 -8.116 -3.597 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -4.029 -6.838 -3.685 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.025 -9.313 -4.050 1.00 0.00 C ATOM 0 H LEU A 80 -8.123 -7.928 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.363 -10.170 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.656 -7.359 -1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.537 -8.692 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.708 -8.019 -4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.672 -6.704 -4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.650 -5.987 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.177 -6.905 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.668 -9.145 -5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.173 -9.442 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.643 -10.210 -4.026 1.00 0.00 H new ATOM 1221 N ASP A 81 -6.328 -11.005 -0.316 1.00 0.00 N ATOM 1222 CA ASP A 81 -6.393 -11.559 1.032 1.00 0.00 C ATOM 1223 C ASP A 81 -7.823 -11.532 1.562 1.00 0.00 C ATOM 1224 O ASP A 81 -8.046 -11.485 2.771 1.00 0.00 O ATOM 1225 CB ASP A 81 -5.472 -10.779 1.972 1.00 0.00 C ATOM 1226 CG ASP A 81 -4.020 -10.838 1.540 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -3.760 -10.784 0.319 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -3.143 -10.937 2.423 1.00 0.00 O ATOM 0 H ASP A 81 -6.014 -11.664 -1.028 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.060 -12.596 0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.794 -9.739 2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.564 -11.180 2.982 1.00 0.00 H new ATOM 1233 N GLY A 82 -8.788 -11.562 0.648 1.00 0.00 N ATOM 1234 CA GLY A 82 -10.184 -11.539 1.044 1.00 0.00 C ATOM 1235 C GLY A 82 -10.627 -10.173 1.531 1.00 0.00 C ATOM 1236 O GLY A 82 -11.771 -9.997 1.950 1.00 0.00 O ATOM 0 H GLY A 82 -8.628 -11.602 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.803 -11.838 0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.347 -12.273 1.833 1.00 0.00 H new ATOM 1240 N ARG A 83 -9.718 -9.205 1.476 1.00 0.00 N ATOM 1241 CA ARG A 83 -10.020 -7.849 1.918 1.00 0.00 C ATOM 1242 C ARG A 83 -9.858 -6.855 0.772 1.00 0.00 C ATOM 1243 O ARG A 83 -9.327 -7.193 -0.285 1.00 0.00 O ATOM 1244 CB ARG A 83 -9.110 -7.454 3.082 1.00 0.00 C ATOM 1245 CG ARG A 83 -9.464 -8.140 4.392 1.00 0.00 C ATOM 1246 CD ARG A 83 -10.774 -7.614 4.959 1.00 0.00 C ATOM 1247 NE ARG A 83 -11.227 -8.398 6.106 1.00 0.00 N ATOM 1248 CZ ARG A 83 -12.294 -8.086 6.833 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -13.013 -7.013 6.535 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -12.643 -8.848 7.862 1.00 0.00 N ATOM 0 H ARG A 83 -8.767 -9.334 1.130 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.057 -7.826 2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.079 -7.694 2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.161 -6.374 3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.541 -9.215 4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.664 -7.982 5.115 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.648 -6.573 5.258 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.539 -7.632 4.182 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.695 -9.230 6.362 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.747 -6.424 5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.832 -6.776 7.095 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.092 -9.674 8.095 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.462 -8.608 8.420 1.00 0.00 H new ATOM 1264 N GLU A 84 -10.319 -5.627 0.990 1.00 0.00 N ATOM 1265 CA GLU A 84 -10.225 -4.585 -0.025 1.00 0.00 C ATOM 1266 C GLU A 84 -9.154 -3.562 0.342 1.00 0.00 C ATOM 1267 O GLU A 84 -9.461 -2.466 0.813 1.00 0.00 O ATOM 1268 CB GLU A 84 -11.576 -3.886 -0.197 1.00 0.00 C ATOM 1269 CG GLU A 84 -11.707 -3.129 -1.508 1.00 0.00 C ATOM 1270 CD GLU A 84 -12.989 -2.322 -1.589 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -13.253 -1.535 -0.657 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -13.726 -2.477 -2.585 1.00 0.00 O ATOM 0 H GLU A 84 -10.761 -5.330 1.860 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.945 -5.056 -0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.371 -4.629 -0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.724 -3.192 0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.853 -2.461 -1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.674 -3.836 -2.337 1.00 0.00 H new ATOM 1279 N LEU A 85 -7.896 -3.928 0.123 1.00 0.00 N ATOM 1280 CA LEU A 85 -6.777 -3.043 0.431 1.00 0.00 C ATOM 1281 C LEU A 85 -7.084 -1.610 0.008 1.00 0.00 C ATOM 1282 O LEU A 85 -7.362 -1.343 -1.161 1.00 0.00 O ATOM 1283 CB LEU A 85 -5.508 -3.532 -0.268 1.00 0.00 C ATOM 1284 CG LEU A 85 -4.924 -4.849 0.244 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -3.868 -5.375 -0.716 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -4.338 -4.667 1.636 1.00 0.00 C ATOM 0 H LEU A 85 -7.625 -4.831 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.620 -3.058 1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.722 -3.642 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.745 -2.759 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.729 -5.582 0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.464 -6.313 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.318 -5.545 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.064 -4.645 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.927 -5.614 1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.546 -3.918 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.120 -4.337 2.320 1.00 0.00 H new ATOM 1298 N ARG A 86 -7.031 -0.692 0.968 1.00 0.00 N ATOM 1299 CA ARG A 86 -7.302 0.715 0.695 1.00 0.00 C ATOM 1300 C ARG A 86 -6.048 1.422 0.189 1.00 0.00 C ATOM 1301 O ARG A 86 -5.356 2.100 0.949 1.00 0.00 O ATOM 1302 CB ARG A 86 -7.820 1.410 1.955 1.00 0.00 C ATOM 1303 CG ARG A 86 -8.769 2.562 1.669 1.00 0.00 C ATOM 1304 CD ARG A 86 -10.178 2.065 1.383 1.00 0.00 C ATOM 1305 NE ARG A 86 -11.181 3.101 1.611 1.00 0.00 N ATOM 1306 CZ ARG A 86 -12.487 2.901 1.479 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -12.946 1.709 1.122 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -13.338 3.894 1.705 1.00 0.00 N ATOM 0 H ARG A 86 -6.803 -0.897 1.941 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.066 0.768 -0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.330 0.677 2.580 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.972 1.783 2.529 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.787 3.240 2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.403 3.133 0.816 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.239 1.723 0.350 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.395 1.205 2.017 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.861 4.029 1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.295 0.943 0.948 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.950 1.558 1.021 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.989 4.812 1.980 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.341 3.739 1.603 1.00 0.00 H new ATOM 1322 N VAL A 87 -5.762 1.259 -1.099 1.00 0.00 N ATOM 1323 CA VAL A 87 -4.592 1.882 -1.706 1.00 0.00 C ATOM 1324 C VAL A 87 -4.962 3.191 -2.395 1.00 0.00 C ATOM 1325 O VAL A 87 -5.235 3.215 -3.595 1.00 0.00 O ATOM 1326 CB VAL A 87 -3.926 0.945 -2.731 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -2.499 1.391 -3.014 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -3.956 -0.493 -2.236 1.00 0.00 C ATOM 0 H VAL A 87 -6.324 0.701 -1.742 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.887 2.086 -0.900 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.488 0.996 -3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.044 0.717 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.507 2.405 -3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.922 1.371 -2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.481 -1.141 -2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.418 -0.564 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.990 -0.806 -2.090 1.00 0.00 H new ATOM 1338 N GLN A 88 -4.969 4.276 -1.628 1.00 0.00 N ATOM 1339 CA GLN A 88 -5.306 5.589 -2.166 1.00 0.00 C ATOM 1340 C GLN A 88 -4.368 6.659 -1.617 1.00 0.00 C ATOM 1341 O GLN A 88 -3.668 6.438 -0.629 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.756 5.944 -1.830 1.00 0.00 C ATOM 1343 CG GLN A 88 -6.965 6.335 -0.376 1.00 0.00 C ATOM 1344 CD GLN A 88 -8.390 6.763 -0.087 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -9.235 5.805 0.276 1.00 0.00 O flip ATOM 1346 NE2 GLN A 88 -8.729 7.943 -0.188 1.00 0.00 N flip ATOM 0 H GLN A 88 -4.745 4.272 -0.633 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.190 5.551 -3.249 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -7.077 6.767 -2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -7.394 5.091 -2.064 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -6.706 5.492 0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.286 7.149 -0.121 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.047 8.647 -0.470 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.692 8.216 0.010 1.00 0.00 H new ATOM 1355 N VAL A 89 -4.359 7.819 -2.265 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.507 8.924 -1.842 1.00 0.00 C ATOM 1357 C VAL A 89 -3.976 9.501 -0.511 1.00 0.00 C ATOM 1358 O VAL A 89 -5.170 9.717 -0.303 1.00 0.00 O ATOM 1359 CB VAL A 89 -3.480 10.048 -2.896 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -2.471 11.118 -2.509 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -3.167 9.480 -4.272 1.00 0.00 C ATOM 0 H VAL A 89 -4.932 8.018 -3.085 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.501 8.521 -1.726 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.466 10.510 -2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.466 11.903 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.745 11.545 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.478 10.674 -2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.152 10.287 -5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.193 8.991 -4.251 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.932 8.754 -4.548 1.00 0.00 H new