USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 766 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 Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.973 K(o=0.97,f=-0.14) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -178:sc= -1.5 (180deg=-1.55) USER MOD Single : A 24 GLN : amide:sc= -0.0409 X(o=-0.041,f=-0.041) USER MOD Single : A 25 GLN : amide:sc= -0.0691 X(o=-0.069,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.168) USER MOD Single : A 33 LYS NZ :NH3+ 146:sc= 0.589 (180deg=0.194) USER MOD Single : A 37 THR OG1 : rot 27:sc= 0.473 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -77:sc= 0.633 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= -0.183 (180deg=-0.734) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 138:sc= 0.0462 USER MOD Single : A 71 ASN : amide:sc= 0.357 X(o=0.36,f=-0.051) USER MOD Single : A 74 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.12) USER MOD Single : A 79 THR OG1 : rot 104:sc= 0.737 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0.519 K(o=0.52,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 30:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -165:sc=-0.00506 (180deg=-0.143) USER MOD ----------------------------------------------------------------- ATOM 176 N GLU A 12 -8.807 -0.085 3.414 1.00 0.00 N ATOM 177 CA GLU A 12 -7.760 0.787 3.998 1.00 0.00 C ATOM 178 C GLU A 12 -7.248 0.175 5.324 1.00 0.00 C ATOM 179 O GLU A 12 -6.139 -0.350 5.384 1.00 0.00 O ATOM 180 CB GLU A 12 -8.358 2.199 4.242 1.00 0.00 C ATOM 181 CG GLU A 12 -9.016 2.941 3.059 1.00 0.00 C ATOM 182 CD GLU A 12 -9.633 4.288 3.464 1.00 0.00 C ATOM 183 OE1 GLU A 12 -9.913 4.510 4.667 1.00 0.00 O ATOM 184 OE2 GLU A 12 -9.956 5.102 2.567 1.00 0.00 O ATOM 0 HA GLU A 12 -6.918 0.869 3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.104 2.110 5.032 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.560 2.834 4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.270 3.108 2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.791 2.308 2.626 1.00 0.00 H new ATOM 191 N SER A 13 -8.050 0.173 6.388 1.00 0.00 N ATOM 192 CA SER A 13 -7.600 -0.226 7.721 1.00 0.00 C ATOM 193 C SER A 13 -7.262 -1.727 7.804 1.00 0.00 C ATOM 194 O SER A 13 -6.588 -2.152 8.744 1.00 0.00 O ATOM 195 CB SER A 13 -8.713 0.173 8.698 1.00 0.00 C ATOM 196 OG SER A 13 -8.277 0.313 10.033 1.00 0.00 O ATOM 0 H SER A 13 -9.031 0.448 6.350 1.00 0.00 H new ATOM 0 HA SER A 13 -6.668 0.279 7.974 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.152 1.115 8.369 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.503 -0.577 8.660 1.00 0.00 H new ATOM 0 HG SER A 13 -9.035 0.569 10.599 1.00 0.00 H new ATOM 202 N GLU A 14 -7.716 -2.525 6.833 1.00 0.00 N ATOM 203 CA GLU A 14 -7.408 -3.942 6.731 1.00 0.00 C ATOM 204 C GLU A 14 -6.015 -4.137 6.120 1.00 0.00 C ATOM 205 O GLU A 14 -5.171 -4.817 6.705 1.00 0.00 O ATOM 206 CB GLU A 14 -8.504 -4.639 5.906 1.00 0.00 C ATOM 207 CG GLU A 14 -9.643 -5.166 6.798 1.00 0.00 C ATOM 208 CD GLU A 14 -9.506 -6.653 7.140 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.375 -7.122 7.397 1.00 0.00 O ATOM 210 OE2 GLU A 14 -10.544 -7.350 7.173 1.00 0.00 O ATOM 0 H GLU A 14 -8.321 -2.190 6.083 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.390 -4.395 7.722 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.909 -3.939 5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.067 -5.467 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.668 -4.589 7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.595 -5.002 6.294 1.00 0.00 H new ATOM 217 N ILE A 15 -5.782 -3.522 4.955 1.00 0.00 N ATOM 218 CA ILE A 15 -4.534 -3.493 4.197 1.00 0.00 C ATOM 219 C ILE A 15 -3.420 -2.979 5.103 1.00 0.00 C ATOM 220 O ILE A 15 -2.325 -3.528 5.073 1.00 0.00 O ATOM 221 CB ILE A 15 -4.716 -2.610 2.928 1.00 0.00 C ATOM 222 CG1 ILE A 15 -5.609 -3.339 1.900 1.00 0.00 C ATOM 223 CG2 ILE A 15 -3.386 -2.223 2.257 1.00 0.00 C ATOM 224 CD1 ILE A 15 -6.081 -2.456 0.738 1.00 0.00 C ATOM 0 H ILE A 15 -6.518 -2.994 4.486 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.261 -4.493 3.860 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.188 -1.687 3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.059 -4.189 1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.482 -3.740 2.414 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.587 -1.608 1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.773 -1.661 2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.855 -3.126 1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.702 -3.045 0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.661 -1.620 1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.216 -2.075 0.196 1.00 0.00 H new ATOM 236 N GLN A 16 -3.697 -1.942 5.896 1.00 0.00 N ATOM 237 CA GLN A 16 -2.724 -1.290 6.756 1.00 0.00 C ATOM 238 C GLN A 16 -2.010 -2.310 7.653 1.00 0.00 C ATOM 239 O GLN A 16 -0.786 -2.279 7.759 1.00 0.00 O ATOM 240 CB GLN A 16 -3.471 -0.195 7.541 1.00 0.00 C ATOM 241 CG GLN A 16 -2.553 0.842 8.195 1.00 0.00 C ATOM 242 CD GLN A 16 -2.084 0.460 9.594 1.00 0.00 C ATOM 243 OE1 GLN A 16 -2.880 0.142 10.472 1.00 0.00 O ATOM 244 NE2 GLN A 16 -0.795 0.510 9.880 1.00 0.00 N ATOM 0 H GLN A 16 -4.627 -1.527 5.955 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.927 -0.825 6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.157 0.317 6.866 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.077 -0.667 8.314 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.681 0.992 7.559 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.078 1.796 8.247 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.123 0.773 9.159 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.472 0.286 10.821 1.00 0.00 H new ATOM 253 N LYS A 17 -2.775 -3.218 8.260 1.00 0.00 N ATOM 254 CA LYS A 17 -2.287 -4.335 9.066 1.00 0.00 C ATOM 255 C LYS A 17 -1.702 -5.434 8.186 1.00 0.00 C ATOM 256 O LYS A 17 -0.547 -5.802 8.367 1.00 0.00 O ATOM 257 CB LYS A 17 -3.450 -4.864 9.930 1.00 0.00 C ATOM 258 CG LYS A 17 -3.008 -5.231 11.354 1.00 0.00 C ATOM 259 CD LYS A 17 -4.168 -5.387 12.346 1.00 0.00 C ATOM 260 CE LYS A 17 -5.155 -6.472 11.909 1.00 0.00 C ATOM 261 NZ LYS A 17 -6.318 -6.560 12.815 1.00 0.00 N ATOM 0 H LYS A 17 -3.793 -3.193 8.200 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.482 -3.993 9.716 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.234 -4.108 9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.884 -5.742 9.451 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.445 -6.164 11.320 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.329 -4.462 11.722 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.772 -5.633 13.331 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.693 -4.437 12.442 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.499 -6.262 10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.645 -7.435 11.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.961 -7.307 12.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.993 -6.786 13.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.820 -5.649 12.824 1.00 0.00 H new ATOM 275 N LEU A 18 -2.467 -5.931 7.212 1.00 0.00 N ATOM 276 CA LEU A 18 -2.063 -7.074 6.386 1.00 0.00 C ATOM 277 C LEU A 18 -0.702 -6.845 5.718 1.00 0.00 C ATOM 278 O LEU A 18 0.078 -7.787 5.585 1.00 0.00 O ATOM 279 CB LEU A 18 -3.141 -7.384 5.323 1.00 0.00 C ATOM 280 CG LEU A 18 -4.270 -8.374 5.704 1.00 0.00 C ATOM 281 CD1 LEU A 18 -4.561 -8.508 7.199 1.00 0.00 C ATOM 282 CD2 LEU A 18 -5.567 -7.976 4.985 1.00 0.00 C ATOM 0 H LEU A 18 -3.384 -5.554 6.973 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.962 -7.934 7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.606 -6.442 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.637 -7.775 4.439 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.901 -9.350 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.367 -9.226 7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.665 -8.855 7.714 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.858 -7.539 7.600 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.361 -8.673 5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.854 -6.967 5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.409 -8.004 3.907 1.00 0.00 H new ATOM 294 N LEU A 19 -0.401 -5.616 5.290 1.00 0.00 N ATOM 295 CA LEU A 19 0.881 -5.286 4.682 1.00 0.00 C ATOM 296 C LEU A 19 2.024 -5.336 5.689 1.00 0.00 C ATOM 297 O LEU A 19 3.152 -5.589 5.280 1.00 0.00 O ATOM 298 CB LEU A 19 0.856 -3.870 4.090 1.00 0.00 C ATOM 299 CG LEU A 19 0.042 -3.710 2.802 1.00 0.00 C ATOM 300 CD1 LEU A 19 0.027 -2.229 2.429 1.00 0.00 C ATOM 301 CD2 LEU A 19 0.658 -4.474 1.626 1.00 0.00 C ATOM 0 H LEU A 19 -1.042 -4.825 5.357 1.00 0.00 H new ATOM 0 HA LEU A 19 1.046 -6.031 3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.455 -3.188 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.882 -3.559 3.892 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.956 -4.106 2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.548 -2.090 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.430 -1.655 3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.049 -1.883 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.045 -4.329 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.665 -4.101 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.704 -5.536 1.866 1.00 0.00 H new ATOM 313 N MET A 20 1.783 -5.042 6.965 1.00 0.00 N ATOM 314 CA MET A 20 2.817 -4.988 7.990 1.00 0.00 C ATOM 315 C MET A 20 3.277 -6.401 8.334 1.00 0.00 C ATOM 316 O MET A 20 4.481 -6.659 8.261 1.00 0.00 O ATOM 317 CB MET A 20 2.266 -4.246 9.222 1.00 0.00 C ATOM 318 CG MET A 20 2.101 -2.733 9.010 1.00 0.00 C ATOM 319 SD MET A 20 3.486 -1.645 9.465 1.00 0.00 S ATOM 320 CE MET A 20 4.918 -2.471 8.725 1.00 0.00 C ATOM 0 H MET A 20 0.850 -4.832 7.319 1.00 0.00 H new ATOM 0 HA MET A 20 3.686 -4.441 7.625 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.300 -4.674 9.491 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.935 -4.415 10.066 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.880 -2.567 7.956 1.00 0.00 H new ATOM 0 HG3 MET A 20 1.226 -2.411 9.574 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.824 -1.916 8.968 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.997 -3.485 9.118 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.796 -2.510 7.643 1.00 0.00 H new ATOM 330 N GLU A 21 2.339 -7.320 8.601 1.00 0.00 N ATOM 331 CA GLU A 21 2.595 -8.758 8.695 1.00 0.00 C ATOM 332 C GLU A 21 3.490 -9.210 7.531 1.00 0.00 C ATOM 333 O GLU A 21 4.579 -9.764 7.717 1.00 0.00 O ATOM 334 CB GLU A 21 1.231 -9.488 8.668 1.00 0.00 C ATOM 335 CG GLU A 21 0.854 -10.192 9.976 1.00 0.00 C ATOM 336 CD GLU A 21 1.377 -11.635 10.020 1.00 0.00 C ATOM 337 OE1 GLU A 21 2.618 -11.782 10.085 1.00 0.00 O ATOM 338 OE2 GLU A 21 0.591 -12.614 9.923 1.00 0.00 O ATOM 0 H GLU A 21 1.362 -7.076 8.761 1.00 0.00 H new ATOM 0 HA GLU A 21 3.118 -8.997 9.621 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.453 -8.765 8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.245 -10.226 7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.259 -9.633 10.819 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.230 -10.195 10.087 1.00 0.00 H new ATOM 345 N ALA A 22 3.030 -8.937 6.308 1.00 0.00 N ATOM 346 CA ALA A 22 3.717 -9.349 5.100 1.00 0.00 C ATOM 347 C ALA A 22 5.083 -8.658 4.941 1.00 0.00 C ATOM 348 O ALA A 22 5.994 -9.268 4.387 1.00 0.00 O ATOM 349 CB ALA A 22 2.788 -9.099 3.909 1.00 0.00 C ATOM 0 H ALA A 22 2.167 -8.422 6.136 1.00 0.00 H new ATOM 0 HA ALA A 22 3.946 -10.413 5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.287 -9.403 2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.873 -9.678 4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.542 -8.038 3.856 1.00 0.00 H new ATOM 355 N LEU A 23 5.268 -7.419 5.416 1.00 0.00 N ATOM 356 CA LEU A 23 6.537 -6.694 5.334 1.00 0.00 C ATOM 357 C LEU A 23 7.602 -7.430 6.125 1.00 0.00 C ATOM 358 O LEU A 23 8.717 -7.552 5.624 1.00 0.00 O ATOM 359 CB LEU A 23 6.403 -5.237 5.837 1.00 0.00 C ATOM 360 CG LEU A 23 7.743 -4.470 5.916 1.00 0.00 C ATOM 361 CD1 LEU A 23 8.397 -4.369 4.539 1.00 0.00 C ATOM 362 CD2 LEU A 23 7.558 -3.047 6.449 1.00 0.00 C ATOM 0 H LEU A 23 4.528 -6.887 5.874 1.00 0.00 H new ATOM 0 HA LEU A 23 6.829 -6.649 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.726 -4.697 5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.943 -5.246 6.825 1.00 0.00 H new ATOM 0 HG LEU A 23 8.376 -5.035 6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.338 -3.825 4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.589 -5.370 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.731 -3.840 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.524 -2.545 6.488 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.889 -2.495 5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.129 -3.086 7.450 1.00 0.00 H new ATOM 374 N GLN A 24 7.301 -7.928 7.325 1.00 0.00 N ATOM 375 CA GLN A 24 8.307 -8.642 8.095 1.00 0.00 C ATOM 376 C GLN A 24 8.837 -9.840 7.292 1.00 0.00 C ATOM 377 O GLN A 24 10.053 -10.040 7.203 1.00 0.00 O ATOM 378 CB GLN A 24 7.701 -9.076 9.430 1.00 0.00 C ATOM 379 CG GLN A 24 7.146 -7.911 10.265 1.00 0.00 C ATOM 380 CD GLN A 24 8.208 -6.876 10.618 1.00 0.00 C ATOM 381 OE1 GLN A 24 9.096 -7.119 11.433 1.00 0.00 O ATOM 382 NE2 GLN A 24 8.143 -5.711 10.003 1.00 0.00 N ATOM 0 H GLN A 24 6.388 -7.851 7.773 1.00 0.00 H new ATOM 0 HA GLN A 24 9.155 -7.989 8.299 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.899 -9.789 9.240 1.00 0.00 H new ATOM 0 HB3 GLN A 24 8.461 -9.598 10.011 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.342 -7.425 9.712 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.710 -8.304 11.183 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.398 -5.530 9.330 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.838 -4.991 10.200 1.00 0.00 H new ATOM 391 N GLN A 25 7.923 -10.581 6.659 1.00 0.00 N ATOM 392 CA GLN A 25 8.191 -11.745 5.821 1.00 0.00 C ATOM 393 C GLN A 25 8.758 -11.389 4.436 1.00 0.00 C ATOM 394 O GLN A 25 9.137 -12.299 3.695 1.00 0.00 O ATOM 395 CB GLN A 25 6.872 -12.520 5.654 1.00 0.00 C ATOM 396 CG GLN A 25 6.447 -13.231 6.951 1.00 0.00 C ATOM 397 CD GLN A 25 6.716 -14.737 6.981 1.00 0.00 C ATOM 398 OE1 GLN A 25 5.964 -15.503 7.581 1.00 0.00 O ATOM 399 NE2 GLN A 25 7.794 -15.230 6.396 1.00 0.00 N ATOM 0 H GLN A 25 6.927 -10.372 6.723 1.00 0.00 H new ATOM 0 HA GLN A 25 8.956 -12.343 6.316 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.085 -11.832 5.344 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.983 -13.256 4.858 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.968 -12.767 7.789 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.381 -13.064 7.106 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.430 -14.611 5.894 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.990 -16.230 6.447 1.00 0.00 H new ATOM 408 N LEU A 26 8.785 -10.119 4.031 1.00 0.00 N ATOM 409 CA LEU A 26 8.964 -9.725 2.638 1.00 0.00 C ATOM 410 C LEU A 26 10.328 -10.174 2.096 1.00 0.00 C ATOM 411 O LEU A 26 11.386 -9.902 2.669 1.00 0.00 O ATOM 412 CB LEU A 26 8.714 -8.213 2.507 1.00 0.00 C ATOM 413 CG LEU A 26 9.044 -7.631 1.132 1.00 0.00 C ATOM 414 CD1 LEU A 26 8.186 -8.218 0.013 1.00 0.00 C ATOM 415 CD2 LEU A 26 8.886 -6.113 1.109 1.00 0.00 C ATOM 0 H LEU A 26 8.682 -9.329 4.668 1.00 0.00 H new ATOM 0 HA LEU A 26 8.232 -10.235 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.667 -8.010 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.307 -7.693 3.259 1.00 0.00 H new ATOM 0 HG LEU A 26 10.084 -7.902 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.468 -7.765 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.342 -9.296 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.135 -8.013 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.129 -5.737 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.857 -5.851 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.559 -5.666 1.841 1.00 0.00 H new ATOM 427 N ARG A 27 10.310 -10.841 0.937 1.00 0.00 N ATOM 428 CA ARG A 27 11.481 -11.392 0.255 1.00 0.00 C ATOM 429 C ARG A 27 12.445 -10.333 -0.307 1.00 0.00 C ATOM 430 O ARG A 27 13.319 -10.698 -1.089 1.00 0.00 O ATOM 431 CB ARG A 27 11.035 -12.412 -0.831 1.00 0.00 C ATOM 432 CG ARG A 27 11.286 -13.902 -0.511 1.00 0.00 C ATOM 433 CD ARG A 27 12.666 -14.191 0.099 1.00 0.00 C ATOM 434 NE ARG A 27 13.198 -15.528 -0.227 1.00 0.00 N ATOM 435 CZ ARG A 27 14.039 -16.227 0.553 1.00 0.00 C ATOM 436 NH1 ARG A 27 14.154 -15.972 1.853 1.00 0.00 N ATOM 437 NH2 ARG A 27 14.791 -17.174 0.013 1.00 0.00 N ATOM 0 H ARG A 27 9.443 -11.018 0.430 1.00 0.00 H new ATOM 0 HA ARG A 27 12.066 -11.912 1.014 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.969 -12.275 -1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 27 11.550 -12.170 -1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.516 -14.249 0.179 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.177 -14.482 -1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.371 -13.436 -0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.601 -14.091 1.182 1.00 0.00 H new ATOM 0 HE ARG A 27 12.906 -15.952 -1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.596 -15.232 2.279 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.800 -16.517 2.424 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.728 -17.367 -0.987 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.433 -17.710 0.597 1.00 0.00 H new ATOM 451 N ASP A 28 12.345 -9.056 0.068 1.00 0.00 N ATOM 452 CA ASP A 28 13.124 -7.951 -0.503 1.00 0.00 C ATOM 453 C ASP A 28 14.206 -7.508 0.490 1.00 0.00 C ATOM 454 O ASP A 28 13.996 -6.532 1.208 1.00 0.00 O ATOM 455 CB ASP A 28 12.226 -6.750 -0.824 1.00 0.00 C ATOM 456 CG ASP A 28 11.254 -6.957 -1.980 1.00 0.00 C ATOM 457 OD1 ASP A 28 11.382 -7.927 -2.768 1.00 0.00 O ATOM 458 OD2 ASP A 28 10.370 -6.103 -2.143 1.00 0.00 O ATOM 0 H ASP A 28 11.702 -8.751 0.798 1.00 0.00 H new ATOM 0 HA ASP A 28 13.582 -8.307 -1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.655 -6.495 0.069 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.860 -5.893 -1.052 1.00 0.00 H new ATOM 463 N PRO A 29 15.382 -8.155 0.549 1.00 0.00 N ATOM 464 CA PRO A 29 16.460 -7.820 1.482 1.00 0.00 C ATOM 465 C PRO A 29 17.047 -6.424 1.244 1.00 0.00 C ATOM 466 O PRO A 29 17.614 -5.823 2.158 1.00 0.00 O ATOM 467 CB PRO A 29 17.518 -8.907 1.268 1.00 0.00 C ATOM 468 CG PRO A 29 17.302 -9.340 -0.183 1.00 0.00 C ATOM 469 CD PRO A 29 15.786 -9.238 -0.316 1.00 0.00 C ATOM 0 HA PRO A 29 16.089 -7.790 2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 29 18.526 -8.522 1.426 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.383 -9.739 1.959 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.819 -8.687 -0.886 1.00 0.00 H new ATOM 0 HG3 PRO A 29 17.661 -10.353 -0.365 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.497 -9.041 -1.348 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.305 -10.171 -0.023 1.00 0.00 H new ATOM 477 N ARG A 30 16.892 -5.910 0.017 1.00 0.00 N ATOM 478 CA ARG A 30 17.345 -4.587 -0.404 1.00 0.00 C ATOM 479 C ARG A 30 16.715 -3.537 0.491 1.00 0.00 C ATOM 480 O ARG A 30 17.404 -2.663 1.004 1.00 0.00 O ATOM 481 CB ARG A 30 16.999 -4.370 -1.894 1.00 0.00 C ATOM 482 CG ARG A 30 17.720 -5.354 -2.835 1.00 0.00 C ATOM 483 CD ARG A 30 17.219 -5.269 -4.290 1.00 0.00 C ATOM 484 NE ARG A 30 16.861 -6.592 -4.831 1.00 0.00 N ATOM 485 CZ ARG A 30 16.112 -6.831 -5.914 1.00 0.00 C ATOM 486 NH1 ARG A 30 15.636 -5.846 -6.673 1.00 0.00 N ATOM 487 NH2 ARG A 30 15.837 -8.089 -6.235 1.00 0.00 N ATOM 0 H ARG A 30 16.431 -6.426 -0.733 1.00 0.00 H new ATOM 0 HA ARG A 30 18.427 -4.504 -0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 30 15.922 -4.472 -2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.260 -3.350 -2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.791 -5.152 -2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.580 -6.370 -2.467 1.00 0.00 H new ATOM 0 HD2 ARG A 30 16.351 -4.612 -4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 30 17.992 -4.820 -4.914 1.00 0.00 H new ATOM 0 HE ARG A 30 17.219 -7.406 -4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 30 15.839 -4.875 -6.435 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.068 -6.062 -7.492 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.195 -8.852 -5.660 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.268 -8.293 -7.056 1.00 0.00 H new ATOM 501 N LEU A 31 15.404 -3.645 0.686 1.00 0.00 N ATOM 502 CA LEU A 31 14.647 -2.633 1.380 1.00 0.00 C ATOM 503 C LEU A 31 14.898 -2.744 2.885 1.00 0.00 C ATOM 504 O LEU A 31 14.601 -3.768 3.502 1.00 0.00 O ATOM 505 CB LEU A 31 13.171 -2.766 0.973 1.00 0.00 C ATOM 506 CG LEU A 31 12.165 -1.858 1.709 1.00 0.00 C ATOM 507 CD1 LEU A 31 11.517 -2.567 2.890 1.00 0.00 C ATOM 508 CD2 LEU A 31 12.665 -0.466 2.123 1.00 0.00 C ATOM 0 H LEU A 31 14.847 -4.437 0.365 1.00 0.00 H new ATOM 0 HA LEU A 31 14.964 -1.628 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.093 -2.564 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.868 -3.802 1.125 1.00 0.00 H new ATOM 0 HG LEU A 31 11.418 -1.658 0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.816 -1.891 3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.984 -3.450 2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.287 -2.868 3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.864 0.072 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.516 -0.570 2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.970 0.090 1.236 1.00 0.00 H new ATOM 520 N LYS A 32 15.407 -1.673 3.481 1.00 0.00 N ATOM 521 CA LYS A 32 15.597 -1.459 4.910 1.00 0.00 C ATOM 522 C LYS A 32 14.240 -1.354 5.604 1.00 0.00 C ATOM 523 O LYS A 32 13.733 -0.250 5.810 1.00 0.00 O ATOM 524 CB LYS A 32 16.464 -0.198 5.079 1.00 0.00 C ATOM 525 CG LYS A 32 17.867 -0.443 4.501 1.00 0.00 C ATOM 526 CD LYS A 32 18.755 0.806 4.482 1.00 0.00 C ATOM 527 CE LYS A 32 19.816 0.719 3.374 1.00 0.00 C ATOM 528 NZ LYS A 32 20.519 -0.579 3.340 1.00 0.00 N ATOM 0 H LYS A 32 15.722 -0.870 2.936 1.00 0.00 H new ATOM 0 HA LYS A 32 16.112 -2.297 5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 32 15.995 0.646 4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.537 0.064 6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 32 18.360 -1.219 5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.770 -0.824 3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.138 1.691 4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 32 19.244 0.922 5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 32 19.339 0.891 2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 32 20.546 1.516 3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 21.339 -0.513 2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 20.842 -0.824 4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.871 -1.316 2.994 1.00 0.00 H new ATOM 542 N LYS A 33 13.603 -2.486 5.936 1.00 0.00 N ATOM 543 CA LYS A 33 12.225 -2.498 6.435 1.00 0.00 C ATOM 544 C LYS A 33 12.106 -1.748 7.754 1.00 0.00 C ATOM 545 O LYS A 33 11.064 -1.188 8.064 1.00 0.00 O ATOM 546 CB LYS A 33 11.744 -3.923 6.696 1.00 0.00 C ATOM 547 CG LYS A 33 11.930 -4.909 5.545 1.00 0.00 C ATOM 548 CD LYS A 33 11.516 -6.337 5.929 1.00 0.00 C ATOM 549 CE LYS A 33 12.704 -7.057 6.568 1.00 0.00 C ATOM 550 NZ LYS A 33 12.332 -8.245 7.367 1.00 0.00 N ATOM 0 H LYS A 33 14.027 -3.411 5.866 1.00 0.00 H new ATOM 0 HA LYS A 33 11.620 -2.020 5.664 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.270 -4.310 7.569 1.00 0.00 H new ATOM 0 HB3 LYS A 33 10.685 -3.888 6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.341 -4.580 4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.974 -4.907 5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.677 -6.309 6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.180 -6.880 5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.395 -7.363 5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.239 -6.355 7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.077 -8.966 7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.223 -7.972 8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.434 -8.633 7.015 1.00 0.00 H new ATOM 564 N ASP A 34 13.168 -1.775 8.544 1.00 0.00 N ATOM 565 CA ASP A 34 13.216 -1.168 9.879 1.00 0.00 C ATOM 566 C ASP A 34 13.065 0.345 9.817 1.00 0.00 C ATOM 567 O ASP A 34 12.737 0.981 10.814 1.00 0.00 O ATOM 568 CB ASP A 34 14.531 -1.531 10.582 1.00 0.00 C ATOM 569 CG ASP A 34 14.337 -2.714 11.516 1.00 0.00 C ATOM 570 OD1 ASP A 34 13.713 -3.702 11.061 1.00 0.00 O ATOM 571 OD2 ASP A 34 14.822 -2.656 12.665 1.00 0.00 O ATOM 0 H ASP A 34 14.042 -2.227 8.276 1.00 0.00 H new ATOM 0 HA ASP A 34 12.377 -1.566 10.449 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.292 -1.770 9.839 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.895 -0.673 11.146 1.00 0.00 H new ATOM 576 N PHE A 35 13.283 0.933 8.643 1.00 0.00 N ATOM 577 CA PHE A 35 13.099 2.347 8.402 1.00 0.00 C ATOM 578 C PHE A 35 11.797 2.596 7.659 1.00 0.00 C ATOM 579 O PHE A 35 11.708 3.593 6.954 1.00 0.00 O ATOM 580 CB PHE A 35 14.298 2.884 7.615 1.00 0.00 C ATOM 581 CG PHE A 35 15.656 2.700 8.253 1.00 0.00 C ATOM 582 CD1 PHE A 35 15.810 2.639 9.655 1.00 0.00 C ATOM 583 CD2 PHE A 35 16.785 2.623 7.419 1.00 0.00 C ATOM 584 CE1 PHE A 35 17.091 2.466 10.209 1.00 0.00 C ATOM 585 CE2 PHE A 35 18.061 2.461 7.977 1.00 0.00 C ATOM 586 CZ PHE A 35 18.221 2.385 9.374 1.00 0.00 C ATOM 0 H PHE A 35 13.599 0.421 7.820 1.00 0.00 H new ATOM 0 HA PHE A 35 13.038 2.874 9.354 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.311 2.400 6.639 1.00 0.00 H new ATOM 0 HB3 PHE A 35 14.143 3.949 7.441 1.00 0.00 H new ATOM 0 HD1 PHE A 35 14.948 2.725 10.299 1.00 0.00 H new ATOM 0 HD2 PHE A 35 16.669 2.689 6.347 1.00 0.00 H new ATOM 0 HE1 PHE A 35 17.208 2.395 11.280 1.00 0.00 H new ATOM 0 HE2 PHE A 35 18.925 2.394 7.333 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.205 2.265 9.802 1.00 0.00 H new ATOM 596 N VAL A 36 10.794 1.722 7.734 1.00 0.00 N ATOM 597 CA VAL A 36 9.546 2.011 7.056 1.00 0.00 C ATOM 598 C VAL A 36 8.354 1.465 7.818 1.00 0.00 C ATOM 599 O VAL A 36 8.465 0.492 8.570 1.00 0.00 O ATOM 600 CB VAL A 36 9.672 1.530 5.600 1.00 0.00 C ATOM 601 CG1 VAL A 36 9.634 0.037 5.364 1.00 0.00 C ATOM 602 CG2 VAL A 36 8.656 2.206 4.679 1.00 0.00 C ATOM 0 H VAL A 36 10.823 0.838 8.242 1.00 0.00 H new ATOM 0 HA VAL A 36 9.353 3.083 7.027 1.00 0.00 H new ATOM 0 HB VAL A 36 10.688 1.836 5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.732 -0.165 4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.456 -0.437 5.901 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.686 -0.364 5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.783 1.835 3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.647 1.981 5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.813 3.285 4.694 1.00 0.00 H new ATOM 612 N THR A 37 7.207 2.104 7.602 1.00 0.00 N ATOM 613 CA THR A 37 5.933 1.665 8.142 1.00 0.00 C ATOM 614 C THR A 37 4.796 2.283 7.315 1.00 0.00 C ATOM 615 O THR A 37 4.877 3.435 6.876 1.00 0.00 O ATOM 616 CB THR A 37 5.885 2.010 9.643 1.00 0.00 C ATOM 617 OG1 THR A 37 4.885 1.248 10.271 1.00 0.00 O ATOM 618 CG2 THR A 37 5.644 3.494 9.921 1.00 0.00 C ATOM 0 H THR A 37 7.141 2.952 7.039 1.00 0.00 H new ATOM 0 HA THR A 37 5.810 0.585 8.068 1.00 0.00 H new ATOM 0 HB THR A 37 6.868 1.770 10.048 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.748 0.415 9.774 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.622 3.664 10.997 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.447 4.082 9.477 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.691 3.795 9.487 1.00 0.00 H new ATOM 626 N PHE A 38 3.751 1.496 7.058 1.00 0.00 N ATOM 627 CA PHE A 38 2.563 1.898 6.314 1.00 0.00 C ATOM 628 C PHE A 38 1.617 2.496 7.340 1.00 0.00 C ATOM 629 O PHE A 38 1.096 1.776 8.193 1.00 0.00 O ATOM 630 CB PHE A 38 1.923 0.701 5.589 1.00 0.00 C ATOM 631 CG PHE A 38 2.948 -0.182 4.908 1.00 0.00 C ATOM 632 CD1 PHE A 38 3.852 0.365 3.978 1.00 0.00 C ATOM 633 CD2 PHE A 38 3.058 -1.532 5.280 1.00 0.00 C ATOM 634 CE1 PHE A 38 4.920 -0.410 3.494 1.00 0.00 C ATOM 635 CE2 PHE A 38 4.084 -2.322 4.744 1.00 0.00 C ATOM 636 CZ PHE A 38 5.041 -1.755 3.886 1.00 0.00 C ATOM 0 H PHE A 38 3.710 0.527 7.375 1.00 0.00 H new ATOM 0 HA PHE A 38 2.808 2.618 5.533 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.356 0.107 6.306 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.214 1.067 4.847 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.725 1.381 3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.353 -1.960 5.978 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.645 0.026 2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.139 -3.372 4.992 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.868 -2.351 3.528 1.00 0.00 H new ATOM 646 N SER A 39 1.465 3.813 7.305 1.00 0.00 N ATOM 647 CA SER A 39 0.733 4.534 8.324 1.00 0.00 C ATOM 648 C SER A 39 -0.712 4.655 7.857 1.00 0.00 C ATOM 649 O SER A 39 -1.616 4.102 8.486 1.00 0.00 O ATOM 650 CB SER A 39 1.445 5.868 8.545 1.00 0.00 C ATOM 651 OG SER A 39 0.978 6.579 9.669 1.00 0.00 O ATOM 0 H SER A 39 1.847 4.406 6.568 1.00 0.00 H new ATOM 0 HA SER A 39 0.707 4.028 9.289 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.513 5.685 8.660 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.321 6.488 7.657 1.00 0.00 H new ATOM 0 HG SER A 39 1.475 7.419 9.754 1.00 0.00 H new ATOM 657 N ARG A 40 -0.929 5.323 6.721 1.00 0.00 N ATOM 658 CA ARG A 40 -2.247 5.587 6.166 1.00 0.00 C ATOM 659 C ARG A 40 -2.393 4.838 4.855 1.00 0.00 C ATOM 660 O ARG A 40 -1.424 4.446 4.213 1.00 0.00 O ATOM 661 CB ARG A 40 -2.435 7.115 6.031 1.00 0.00 C ATOM 662 CG ARG A 40 -3.647 7.617 5.228 1.00 0.00 C ATOM 663 CD ARG A 40 -4.997 7.300 5.886 1.00 0.00 C ATOM 664 NE ARG A 40 -5.460 8.392 6.756 1.00 0.00 N ATOM 665 CZ ARG A 40 -6.734 8.527 7.149 1.00 0.00 C ATOM 666 NH1 ARG A 40 -7.596 7.522 7.023 1.00 0.00 N ATOM 667 NH2 ARG A 40 -7.160 9.672 7.667 1.00 0.00 N ATOM 0 H ARG A 40 -0.171 5.702 6.153 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.039 5.226 6.822 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.500 7.535 7.035 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.535 7.525 5.572 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.562 8.695 5.095 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.623 7.170 4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.742 7.113 5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.908 6.384 6.471 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.778 9.080 7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.290 6.635 6.623 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.563 7.638 7.326 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.516 10.457 7.768 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.131 9.767 7.964 1.00 0.00 H new ATOM 681 N VAL A 41 -3.632 4.662 4.443 1.00 0.00 N ATOM 682 CA VAL A 41 -4.072 4.186 3.173 1.00 0.00 C ATOM 683 C VAL A 41 -5.416 4.839 2.874 1.00 0.00 C ATOM 684 O VAL A 41 -6.233 5.044 3.772 1.00 0.00 O ATOM 685 CB VAL A 41 -4.037 2.653 3.231 1.00 0.00 C ATOM 686 CG1 VAL A 41 -4.564 2.011 4.500 1.00 0.00 C ATOM 687 CG2 VAL A 41 -4.704 2.025 2.018 1.00 0.00 C ATOM 0 H VAL A 41 -4.420 4.872 5.056 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.438 4.459 2.329 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.968 2.438 3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.486 0.927 4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.977 2.354 5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.608 2.290 4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.657 0.939 2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.746 2.341 1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.187 2.344 1.113 1.00 0.00 H new ATOM 697 N GLU A 42 -5.627 5.176 1.609 1.00 0.00 N ATOM 698 CA GLU A 42 -6.897 5.597 1.048 1.00 0.00 C ATOM 699 C GLU A 42 -7.242 4.586 -0.043 1.00 0.00 C ATOM 700 O GLU A 42 -6.364 3.888 -0.558 1.00 0.00 O ATOM 701 CB GLU A 42 -6.763 7.019 0.458 1.00 0.00 C ATOM 702 CG GLU A 42 -7.709 8.054 1.065 1.00 0.00 C ATOM 703 CD GLU A 42 -8.719 8.611 0.060 1.00 0.00 C ATOM 704 OE1 GLU A 42 -8.321 9.268 -0.926 1.00 0.00 O ATOM 705 OE2 GLU A 42 -9.941 8.473 0.294 1.00 0.00 O ATOM 0 H GLU A 42 -4.879 5.161 0.915 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.681 5.631 1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.737 7.360 0.596 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.941 6.970 -0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.247 7.601 1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.123 8.876 1.475 1.00 0.00 H new ATOM 712 N LEU A 43 -8.502 4.522 -0.463 1.00 0.00 N ATOM 713 CA LEU A 43 -8.859 3.895 -1.723 1.00 0.00 C ATOM 714 C LEU A 43 -9.189 4.972 -2.754 1.00 0.00 C ATOM 715 O LEU A 43 -9.481 6.121 -2.420 1.00 0.00 O ATOM 716 CB LEU A 43 -10.022 2.898 -1.529 1.00 0.00 C ATOM 717 CG LEU A 43 -9.543 1.445 -1.341 1.00 0.00 C ATOM 718 CD1 LEU A 43 -9.613 1.095 0.135 1.00 0.00 C ATOM 719 CD2 LEU A 43 -10.344 0.399 -2.110 1.00 0.00 C ATOM 0 H LEU A 43 -9.294 4.900 0.057 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.012 3.319 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.609 3.197 -0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.684 2.948 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.529 1.415 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.277 0.069 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.972 1.772 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.641 1.193 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.932 -0.591 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.385 0.429 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.288 0.611 -3.178 1.00 0.00 H new ATOM 731 N SER A 44 -9.195 4.532 -4.008 1.00 0.00 N ATOM 732 CA SER A 44 -9.850 5.118 -5.178 1.00 0.00 C ATOM 733 C SER A 44 -11.310 5.540 -4.892 1.00 0.00 C ATOM 734 O SER A 44 -11.863 5.278 -3.818 1.00 0.00 O ATOM 735 CB SER A 44 -9.828 4.058 -6.304 1.00 0.00 C ATOM 736 OG SER A 44 -10.184 2.816 -5.761 1.00 0.00 O ATOM 0 H SER A 44 -8.696 3.678 -4.256 1.00 0.00 H new ATOM 0 HA SER A 44 -9.313 6.023 -5.463 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.522 4.336 -7.098 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.836 4.004 -6.752 1.00 0.00 H new ATOM 0 HG SER A 44 -9.423 2.445 -5.267 1.00 0.00 H new ATOM 742 N LYS A 45 -11.972 6.138 -5.891 1.00 0.00 N ATOM 743 CA LYS A 45 -13.416 6.367 -5.888 1.00 0.00 C ATOM 744 C LYS A 45 -14.155 5.024 -5.824 1.00 0.00 C ATOM 745 O LYS A 45 -14.745 4.660 -4.805 1.00 0.00 O ATOM 746 CB LYS A 45 -13.781 7.188 -7.144 1.00 0.00 C ATOM 747 CG LYS A 45 -15.248 7.639 -7.208 1.00 0.00 C ATOM 748 CD LYS A 45 -15.578 8.739 -6.189 1.00 0.00 C ATOM 749 CE LYS A 45 -14.909 10.074 -6.540 1.00 0.00 C ATOM 750 NZ LYS A 45 -14.883 10.992 -5.385 1.00 0.00 N ATOM 0 H LYS A 45 -11.510 6.480 -6.734 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.722 6.935 -5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.141 8.070 -7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.559 6.592 -8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.468 8.002 -8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.895 6.780 -7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.658 8.877 -6.143 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.255 8.422 -5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.891 9.892 -6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.444 10.543 -7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.424 11.883 -5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.856 11.186 -5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.351 10.555 -4.606 1.00 0.00 H new ATOM 764 N ASP A 46 -14.095 4.259 -6.916 1.00 0.00 N ATOM 765 CA ASP A 46 -14.886 3.039 -7.100 1.00 0.00 C ATOM 766 C ASP A 46 -14.136 1.788 -6.626 1.00 0.00 C ATOM 767 O ASP A 46 -14.572 0.666 -6.881 1.00 0.00 O ATOM 768 CB ASP A 46 -15.397 2.933 -8.547 1.00 0.00 C ATOM 769 CG ASP A 46 -16.638 3.804 -8.754 1.00 0.00 C ATOM 770 OD1 ASP A 46 -17.711 3.466 -8.198 1.00 0.00 O ATOM 771 OD2 ASP A 46 -16.524 4.878 -9.389 1.00 0.00 O ATOM 0 H ASP A 46 -13.488 4.472 -7.708 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.766 3.105 -6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.612 3.242 -9.237 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.634 1.894 -8.778 1.00 0.00 H new ATOM 776 N LYS A 47 -13.056 1.969 -5.854 1.00 0.00 N ATOM 777 CA LYS A 47 -12.339 0.931 -5.095 1.00 0.00 C ATOM 778 C LYS A 47 -11.472 0.036 -6.001 1.00 0.00 C ATOM 779 O LYS A 47 -11.121 -1.081 -5.623 1.00 0.00 O ATOM 780 CB LYS A 47 -13.275 0.195 -4.112 1.00 0.00 C ATOM 781 CG LYS A 47 -13.930 1.209 -3.149 1.00 0.00 C ATOM 782 CD LYS A 47 -15.099 0.614 -2.358 1.00 0.00 C ATOM 783 CE LYS A 47 -16.105 1.686 -1.906 1.00 0.00 C ATOM 784 NZ LYS A 47 -16.642 2.503 -3.024 1.00 0.00 N ATOM 0 H LYS A 47 -12.636 2.891 -5.735 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.607 1.418 -4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -14.045 -0.344 -4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.711 -0.546 -3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.178 1.578 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.284 2.067 -3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.612 -0.126 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.713 0.089 -1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.934 1.201 -1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.622 2.345 -1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.579 2.872 -2.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.998 3.297 -3.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.726 1.913 -3.876 1.00 0.00 H new ATOM 798 N ARG A 48 -11.093 0.532 -7.187 1.00 0.00 N ATOM 799 CA ARG A 48 -10.167 -0.107 -8.129 1.00 0.00 C ATOM 800 C ARG A 48 -8.681 0.034 -7.800 1.00 0.00 C ATOM 801 O ARG A 48 -7.890 -0.803 -8.235 1.00 0.00 O ATOM 802 CB ARG A 48 -10.475 0.378 -9.556 1.00 0.00 C ATOM 803 CG ARG A 48 -11.701 -0.349 -10.142 1.00 0.00 C ATOM 804 CD ARG A 48 -11.341 -1.623 -10.931 1.00 0.00 C ATOM 805 NE ARG A 48 -11.144 -1.316 -12.360 1.00 0.00 N ATOM 806 CZ ARG A 48 -10.533 -2.063 -13.291 1.00 0.00 C ATOM 807 NH1 ARG A 48 -10.099 -3.293 -13.049 1.00 0.00 N ATOM 808 NH2 ARG A 48 -10.385 -1.579 -14.519 1.00 0.00 N ATOM 0 H ARG A 48 -11.439 1.428 -7.530 1.00 0.00 H new ATOM 0 HA ARG A 48 -10.346 -1.178 -8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.657 1.453 -9.546 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.609 0.208 -10.195 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.379 -0.613 -9.330 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.240 0.335 -10.798 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.433 -2.066 -10.521 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.135 -2.362 -10.819 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.520 -0.423 -12.680 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.225 -3.706 -12.125 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.639 -3.826 -13.787 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.735 -0.648 -14.746 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.922 -2.138 -15.235 1.00 0.00 H new ATOM 822 N TYR A 49 -8.299 1.030 -7.007 1.00 0.00 N ATOM 823 CA TYR A 49 -6.941 1.219 -6.503 1.00 0.00 C ATOM 824 C TYR A 49 -6.979 1.408 -4.996 1.00 0.00 C ATOM 825 O TYR A 49 -7.989 1.892 -4.465 1.00 0.00 O ATOM 826 CB TYR A 49 -6.273 2.439 -7.145 1.00 0.00 C ATOM 827 CG TYR A 49 -6.193 2.357 -8.651 1.00 0.00 C ATOM 828 CD1 TYR A 49 -5.159 1.621 -9.254 1.00 0.00 C ATOM 829 CD2 TYR A 49 -7.198 2.942 -9.439 1.00 0.00 C ATOM 830 CE1 TYR A 49 -5.139 1.439 -10.649 1.00 0.00 C ATOM 831 CE2 TYR A 49 -7.188 2.757 -10.829 1.00 0.00 C ATOM 832 CZ TYR A 49 -6.167 1.998 -11.442 1.00 0.00 C ATOM 833 OH TYR A 49 -6.227 1.781 -12.785 1.00 0.00 O ATOM 0 H TYR A 49 -8.945 1.751 -6.687 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.360 0.333 -6.758 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -6.827 3.336 -6.866 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.267 2.547 -6.741 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.377 1.193 -8.644 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.975 3.532 -8.976 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.342 0.875 -11.112 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.966 3.198 -11.435 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.005 2.246 -13.157 1.00 0.00 H new ATOM 843 N ALA A 50 -5.861 1.061 -4.364 1.00 0.00 N ATOM 844 CA ALA A 50 -5.595 1.147 -2.944 1.00 0.00 C ATOM 845 C ALA A 50 -4.311 1.948 -2.770 1.00 0.00 C ATOM 846 O ALA A 50 -3.220 1.403 -2.899 1.00 0.00 O ATOM 847 CB ALA A 50 -5.476 -0.265 -2.361 1.00 0.00 C ATOM 0 H ALA A 50 -5.063 0.685 -4.876 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.404 1.646 -2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.276 -0.201 -1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.408 -0.806 -2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.659 -0.794 -2.852 1.00 0.00 H new ATOM 853 N ASP A 51 -4.441 3.253 -2.560 1.00 0.00 N ATOM 854 CA ASP A 51 -3.319 4.174 -2.468 1.00 0.00 C ATOM 855 C ASP A 51 -2.833 4.132 -1.021 1.00 0.00 C ATOM 856 O ASP A 51 -3.406 4.793 -0.157 1.00 0.00 O ATOM 857 CB ASP A 51 -3.727 5.599 -2.890 1.00 0.00 C ATOM 858 CG ASP A 51 -4.031 5.793 -4.379 1.00 0.00 C ATOM 859 OD1 ASP A 51 -4.143 4.838 -5.184 1.00 0.00 O ATOM 860 OD2 ASP A 51 -4.206 6.952 -4.810 1.00 0.00 O ATOM 0 H ASP A 51 -5.347 3.707 -2.447 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.519 3.880 -3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.609 5.888 -2.318 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.926 6.284 -2.610 1.00 0.00 H new ATOM 865 N VAL A 52 -1.825 3.316 -0.717 1.00 0.00 N ATOM 866 CA VAL A 52 -1.184 3.295 0.599 1.00 0.00 C ATOM 867 C VAL A 52 -0.257 4.514 0.671 1.00 0.00 C ATOM 868 O VAL A 52 0.359 4.873 -0.336 1.00 0.00 O ATOM 869 CB VAL A 52 -0.456 1.944 0.792 1.00 0.00 C ATOM 870 CG1 VAL A 52 0.288 1.841 2.134 1.00 0.00 C ATOM 871 CG2 VAL A 52 -1.475 0.791 0.750 1.00 0.00 C ATOM 0 H VAL A 52 -1.428 2.648 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.901 3.367 1.417 1.00 0.00 H new ATOM 0 HB VAL A 52 0.272 1.880 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.777 0.869 2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.038 2.630 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.422 1.951 2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.956 -0.158 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.207 0.923 1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.985 0.791 -0.214 1.00 0.00 H new ATOM 881 N TYR A 53 -0.111 5.106 1.858 1.00 0.00 N ATOM 882 CA TYR A 53 0.689 6.272 2.183 1.00 0.00 C ATOM 883 C TYR A 53 1.724 5.836 3.215 1.00 0.00 C ATOM 884 O TYR A 53 1.406 5.436 4.342 1.00 0.00 O ATOM 885 CB TYR A 53 -0.165 7.381 2.790 1.00 0.00 C ATOM 886 CG TYR A 53 -1.099 8.135 1.854 1.00 0.00 C ATOM 887 CD1 TYR A 53 -2.128 7.460 1.173 1.00 0.00 C ATOM 888 CD2 TYR A 53 -0.959 9.527 1.675 1.00 0.00 C ATOM 889 CE1 TYR A 53 -2.963 8.137 0.269 1.00 0.00 C ATOM 890 CE2 TYR A 53 -1.818 10.221 0.804 1.00 0.00 C ATOM 891 CZ TYR A 53 -2.814 9.527 0.083 1.00 0.00 C ATOM 892 OH TYR A 53 -3.618 10.208 -0.777 1.00 0.00 O ATOM 0 H TYR A 53 -0.593 4.746 2.681 1.00 0.00 H new ATOM 0 HA TYR A 53 1.151 6.659 1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.767 6.945 3.588 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.504 8.106 3.255 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.278 6.405 1.348 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.188 10.063 2.209 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.717 7.595 -0.282 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.715 11.290 0.686 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.371 11.156 -0.775 1.00 0.00 H new ATOM 902 N VAL A 54 2.976 5.916 2.806 1.00 0.00 N ATOM 903 CA VAL A 54 4.110 5.351 3.524 1.00 0.00 C ATOM 904 C VAL A 54 5.104 6.415 3.929 1.00 0.00 C ATOM 905 O VAL A 54 5.403 7.303 3.141 1.00 0.00 O ATOM 906 CB VAL A 54 4.698 4.198 2.711 1.00 0.00 C ATOM 907 CG1 VAL A 54 5.432 4.378 1.403 1.00 0.00 C ATOM 908 CG2 VAL A 54 5.600 3.319 3.567 1.00 0.00 C ATOM 0 H VAL A 54 3.243 6.388 1.942 1.00 0.00 H new ATOM 0 HA VAL A 54 3.780 4.928 4.473 1.00 0.00 H new ATOM 0 HB VAL A 54 3.739 3.788 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.750 3.405 1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.770 4.849 0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.306 5.009 1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.002 2.509 2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.421 3.917 3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.024 2.901 4.393 1.00 0.00 H new ATOM 918 N SER A 55 5.600 6.285 5.154 1.00 0.00 N ATOM 919 CA SER A 55 6.622 7.126 5.726 1.00 0.00 C ATOM 920 C SER A 55 7.841 6.224 5.922 1.00 0.00 C ATOM 921 O SER A 55 7.769 5.225 6.644 1.00 0.00 O ATOM 922 CB SER A 55 6.057 7.740 7.016 1.00 0.00 C ATOM 923 OG SER A 55 6.821 8.824 7.492 1.00 0.00 O ATOM 0 H SER A 55 5.282 5.558 5.795 1.00 0.00 H new ATOM 0 HA SER A 55 6.926 7.968 5.104 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.036 8.075 6.835 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.009 6.971 7.787 1.00 0.00 H new ATOM 0 HG SER A 55 6.415 9.175 8.312 1.00 0.00 H new ATOM 929 N PHE A 56 8.924 6.514 5.200 1.00 0.00 N ATOM 930 CA PHE A 56 10.238 5.913 5.388 1.00 0.00 C ATOM 931 C PHE A 56 11.049 6.796 6.341 1.00 0.00 C ATOM 932 O PHE A 56 10.674 7.936 6.632 1.00 0.00 O ATOM 933 CB PHE A 56 10.874 5.682 4.011 1.00 0.00 C ATOM 934 CG PHE A 56 12.237 4.999 3.953 1.00 0.00 C ATOM 935 CD1 PHE A 56 12.239 3.596 3.921 1.00 0.00 C ATOM 936 CD2 PHE A 56 13.475 5.685 3.921 1.00 0.00 C ATOM 937 CE1 PHE A 56 13.429 2.863 4.006 1.00 0.00 C ATOM 938 CE2 PHE A 56 14.678 4.953 3.995 1.00 0.00 C ATOM 939 CZ PHE A 56 14.658 3.542 4.066 1.00 0.00 C ATOM 0 H PHE A 56 8.906 7.198 4.443 1.00 0.00 H new ATOM 0 HA PHE A 56 10.189 4.932 5.861 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.178 5.088 3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.966 6.651 3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.301 3.069 3.829 1.00 0.00 H new ATOM 0 HD2 PHE A 56 13.498 6.762 3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.403 1.783 4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.623 5.476 3.997 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.580 2.989 4.166 1.00 0.00 H new ATOM 949 N LEU A 57 12.138 6.263 6.880 1.00 0.00 N ATOM 950 CA LEU A 57 12.970 6.844 7.923 1.00 0.00 C ATOM 951 C LEU A 57 14.313 7.085 7.258 1.00 0.00 C ATOM 952 O LEU A 57 15.286 6.350 7.425 1.00 0.00 O ATOM 953 CB LEU A 57 12.986 5.927 9.163 1.00 0.00 C ATOM 954 CG LEU A 57 12.623 6.680 10.456 1.00 0.00 C ATOM 955 CD1 LEU A 57 12.151 5.688 11.520 1.00 0.00 C ATOM 956 CD2 LEU A 57 13.815 7.480 10.984 1.00 0.00 C ATOM 0 H LEU A 57 12.486 5.352 6.579 1.00 0.00 H new ATOM 0 HA LEU A 57 12.603 7.790 8.321 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.283 5.107 9.014 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.976 5.483 9.270 1.00 0.00 H new ATOM 0 HG LEU A 57 11.819 7.380 10.227 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.896 6.227 12.432 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.273 5.154 11.156 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.947 4.974 11.731 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.528 8.001 11.897 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.642 6.803 11.197 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.126 8.207 10.234 1.00 0.00 H new ATOM 968 N GLY A 58 14.297 8.096 6.409 1.00 0.00 N ATOM 969 CA GLY A 58 15.342 8.478 5.481 1.00 0.00 C ATOM 970 C GLY A 58 14.910 9.736 4.733 1.00 0.00 C ATOM 971 O GLY A 58 13.858 10.311 5.027 1.00 0.00 O ATOM 0 H GLY A 58 13.491 8.718 6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.273 8.661 6.018 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.534 7.669 4.776 1.00 0.00 H new ATOM 975 N THR A 59 15.695 10.160 3.753 1.00 0.00 N ATOM 976 CA THR A 59 15.388 11.340 2.942 1.00 0.00 C ATOM 977 C THR A 59 14.325 10.998 1.894 1.00 0.00 C ATOM 978 O THR A 59 14.128 9.814 1.587 1.00 0.00 O ATOM 979 CB THR A 59 16.665 11.888 2.285 1.00 0.00 C ATOM 980 OG1 THR A 59 17.467 10.843 1.789 1.00 0.00 O ATOM 981 CG2 THR A 59 17.471 12.704 3.292 1.00 0.00 C ATOM 0 H THR A 59 16.566 9.697 3.493 1.00 0.00 H new ATOM 0 HA THR A 59 14.986 12.120 3.589 1.00 0.00 H new ATOM 0 HB THR A 59 16.363 12.526 1.454 1.00 0.00 H new ATOM 0 HG1 THR A 59 18.272 11.217 1.374 1.00 0.00 H new ATOM 0 HG21 THR A 59 18.372 13.086 2.813 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.868 13.539 3.649 1.00 0.00 H new ATOM 0 HG23 THR A 59 17.749 12.071 4.135 1.00 0.00 H new ATOM 989 N PRO A 60 13.624 11.999 1.332 1.00 0.00 N ATOM 990 CA PRO A 60 12.565 11.750 0.367 1.00 0.00 C ATOM 991 C PRO A 60 13.051 11.168 -0.964 1.00 0.00 C ATOM 992 O PRO A 60 12.216 10.663 -1.715 1.00 0.00 O ATOM 993 CB PRO A 60 11.820 13.079 0.202 1.00 0.00 C ATOM 994 CG PRO A 60 12.834 14.134 0.633 1.00 0.00 C ATOM 995 CD PRO A 60 13.661 13.411 1.694 1.00 0.00 C ATOM 0 HA PRO A 60 11.902 10.969 0.738 1.00 0.00 H new ATOM 0 HB2 PRO A 60 11.501 13.231 -0.829 1.00 0.00 H new ATOM 0 HB3 PRO A 60 10.923 13.112 0.821 1.00 0.00 H new ATOM 0 HG2 PRO A 60 13.451 14.464 -0.203 1.00 0.00 H new ATOM 0 HG3 PRO A 60 12.345 15.020 1.038 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.685 13.783 1.712 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.246 13.571 2.689 1.00 0.00 H new ATOM 1003 N GLU A 61 14.349 11.200 -1.284 1.00 0.00 N ATOM 1004 CA GLU A 61 14.866 10.627 -2.532 1.00 0.00 C ATOM 1005 C GLU A 61 15.514 9.266 -2.330 1.00 0.00 C ATOM 1006 O GLU A 61 15.426 8.434 -3.226 1.00 0.00 O ATOM 1007 CB GLU A 61 15.776 11.631 -3.244 1.00 0.00 C ATOM 1008 CG GLU A 61 14.878 12.717 -3.831 1.00 0.00 C ATOM 1009 CD GLU A 61 15.557 14.053 -4.095 1.00 0.00 C ATOM 1010 OE1 GLU A 61 15.719 14.836 -3.124 1.00 0.00 O ATOM 1011 OE2 GLU A 61 15.654 14.436 -5.281 1.00 0.00 O ATOM 0 H GLU A 61 15.065 11.620 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 61 14.018 10.435 -3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 61 16.494 12.061 -2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 61 16.350 11.140 -4.030 1.00 0.00 H new ATOM 0 HG2 GLU A 61 14.458 12.351 -4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.043 12.881 -3.150 1.00 0.00 H new ATOM 1018 N GLU A 62 16.014 8.973 -1.131 1.00 0.00 N ATOM 1019 CA GLU A 62 16.412 7.612 -0.770 1.00 0.00 C ATOM 1020 C GLU A 62 15.248 6.658 -0.996 1.00 0.00 C ATOM 1021 O GLU A 62 15.402 5.650 -1.693 1.00 0.00 O ATOM 1022 CB GLU A 62 16.879 7.511 0.689 1.00 0.00 C ATOM 1023 CG GLU A 62 18.392 7.719 0.816 1.00 0.00 C ATOM 1024 CD GLU A 62 19.040 6.583 1.595 1.00 0.00 C ATOM 1025 OE1 GLU A 62 18.985 6.614 2.844 1.00 0.00 O ATOM 1026 OE2 GLU A 62 19.680 5.706 0.977 1.00 0.00 O ATOM 0 H GLU A 62 16.154 9.661 -0.391 1.00 0.00 H new ATOM 0 HA GLU A 62 17.253 7.339 -1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.358 8.256 1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.611 6.533 1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.838 7.783 -0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.591 8.667 1.317 1.00 0.00 H new ATOM 1033 N ARG A 63 14.072 6.981 -0.442 1.00 0.00 N ATOM 1034 CA ARG A 63 12.917 6.107 -0.590 1.00 0.00 C ATOM 1035 C ARG A 63 12.538 5.906 -2.063 1.00 0.00 C ATOM 1036 O ARG A 63 11.928 4.889 -2.381 1.00 0.00 O ATOM 1037 CB ARG A 63 11.720 6.595 0.245 1.00 0.00 C ATOM 1038 CG ARG A 63 10.805 5.390 0.517 1.00 0.00 C ATOM 1039 CD ARG A 63 9.356 5.719 0.867 1.00 0.00 C ATOM 1040 NE ARG A 63 8.362 5.034 0.010 1.00 0.00 N ATOM 1041 CZ ARG A 63 8.228 3.745 -0.341 1.00 0.00 C ATOM 1042 NH1 ARG A 63 9.178 2.850 -0.117 1.00 0.00 N ATOM 1043 NH2 ARG A 63 7.130 3.351 -0.980 1.00 0.00 N ATOM 0 H ARG A 63 13.903 7.827 0.102 1.00 0.00 H new ATOM 0 HA ARG A 63 13.204 5.131 -0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 63 12.063 7.032 1.183 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.175 7.374 -0.289 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.809 4.749 -0.365 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.233 4.810 1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.173 5.448 1.907 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.209 6.796 0.788 1.00 0.00 H new ATOM 0 HE ARG A 63 7.652 5.652 -0.384 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.047 3.132 0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.040 1.879 -0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.398 4.026 -1.200 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.020 2.374 -1.250 1.00 0.00 H new ATOM 1057 N LYS A 64 12.869 6.815 -2.987 1.00 0.00 N ATOM 1058 CA LYS A 64 12.369 6.716 -4.362 1.00 0.00 C ATOM 1059 C LYS A 64 12.844 5.448 -5.065 1.00 0.00 C ATOM 1060 O LYS A 64 12.115 4.908 -5.903 1.00 0.00 O ATOM 1061 CB LYS A 64 12.708 7.974 -5.165 1.00 0.00 C ATOM 1062 CG LYS A 64 11.838 9.144 -4.682 1.00 0.00 C ATOM 1063 CD LYS A 64 12.106 10.491 -5.361 1.00 0.00 C ATOM 1064 CE LYS A 64 11.348 11.582 -4.584 1.00 0.00 C ATOM 1065 NZ LYS A 64 11.199 12.856 -5.318 1.00 0.00 N ATOM 0 H LYS A 64 13.473 7.618 -2.811 1.00 0.00 H new ATOM 0 HA LYS A 64 11.283 6.643 -4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.763 8.220 -5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.539 7.796 -6.227 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.791 8.882 -4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.984 9.263 -3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.175 10.705 -5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.776 10.465 -6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.358 11.207 -4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.871 11.774 -3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.679 13.537 -4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.139 13.239 -5.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.674 12.689 -6.200 1.00 0.00 H new ATOM 1079 N GLU A 65 14.023 4.961 -4.700 1.00 0.00 N ATOM 1080 CA GLU A 65 14.560 3.682 -5.150 1.00 0.00 C ATOM 1081 C GLU A 65 13.833 2.490 -4.502 1.00 0.00 C ATOM 1082 O GLU A 65 13.717 1.430 -5.121 1.00 0.00 O ATOM 1083 CB GLU A 65 16.067 3.680 -4.855 1.00 0.00 C ATOM 1084 CG GLU A 65 16.827 2.561 -5.593 1.00 0.00 C ATOM 1085 CD GLU A 65 18.297 2.923 -5.849 1.00 0.00 C ATOM 1086 OE1 GLU A 65 18.589 4.076 -6.242 1.00 0.00 O ATOM 1087 OE2 GLU A 65 19.203 2.062 -5.699 1.00 0.00 O ATOM 0 H GLU A 65 14.649 5.457 -4.066 1.00 0.00 H new ATOM 0 HA GLU A 65 14.396 3.564 -6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.488 4.645 -5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 65 16.221 3.568 -3.782 1.00 0.00 H new ATOM 0 HG2 GLU A 65 16.778 1.644 -5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 65 16.335 2.357 -6.544 1.00 0.00 H new ATOM 1094 N THR A 66 13.318 2.645 -3.275 1.00 0.00 N ATOM 1095 CA THR A 66 12.682 1.574 -2.517 1.00 0.00 C ATOM 1096 C THR A 66 11.217 1.358 -2.941 1.00 0.00 C ATOM 1097 O THR A 66 10.697 0.248 -2.805 1.00 0.00 O ATOM 1098 CB THR A 66 12.884 1.756 -0.988 1.00 0.00 C ATOM 1099 OG1 THR A 66 11.924 2.532 -0.317 1.00 0.00 O ATOM 1100 CG2 THR A 66 14.188 2.420 -0.543 1.00 0.00 C ATOM 0 H THR A 66 13.335 3.536 -2.778 1.00 0.00 H new ATOM 0 HA THR A 66 13.187 0.641 -2.766 1.00 0.00 H new ATOM 0 HB THR A 66 12.836 0.699 -0.725 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.696 2.105 0.535 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.208 2.489 0.545 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.035 1.825 -0.885 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.252 3.420 -0.971 1.00 0.00 H new ATOM 1108 N VAL A 67 10.548 2.376 -3.496 1.00 0.00 N ATOM 1109 CA VAL A 67 9.185 2.270 -4.030 1.00 0.00 C ATOM 1110 C VAL A 67 9.161 1.311 -5.221 1.00 0.00 C ATOM 1111 O VAL A 67 8.182 0.581 -5.365 1.00 0.00 O ATOM 1112 CB VAL A 67 8.665 3.662 -4.478 1.00 0.00 C ATOM 1113 CG1 VAL A 67 7.142 3.669 -4.658 1.00 0.00 C ATOM 1114 CG2 VAL A 67 9.057 4.810 -3.553 1.00 0.00 C ATOM 0 H VAL A 67 10.945 3.311 -3.588 1.00 0.00 H new ATOM 0 HA VAL A 67 8.537 1.887 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 67 9.158 3.834 -5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.817 4.661 -4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.862 2.938 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.663 3.412 -3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.652 5.745 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.656 4.627 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.143 4.879 -3.500 1.00 0.00 H new ATOM 1124 N GLU A 68 10.198 1.289 -6.069 1.00 0.00 N ATOM 1125 CA GLU A 68 10.361 0.343 -7.153 1.00 0.00 C ATOM 1126 C GLU A 68 10.331 -1.091 -6.635 1.00 0.00 C ATOM 1127 O GLU A 68 9.494 -1.889 -7.061 1.00 0.00 O ATOM 1128 CB GLU A 68 11.701 0.684 -7.823 1.00 0.00 C ATOM 1129 CG GLU A 68 11.494 1.080 -9.277 1.00 0.00 C ATOM 1130 CD GLU A 68 11.506 -0.124 -10.227 1.00 0.00 C ATOM 1131 OE1 GLU A 68 11.144 -1.241 -9.790 1.00 0.00 O ATOM 1132 OE2 GLU A 68 11.811 0.036 -11.431 1.00 0.00 O ATOM 0 H GLU A 68 10.966 1.957 -6.007 1.00 0.00 H new ATOM 0 HA GLU A 68 9.545 0.415 -7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.184 1.499 -7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.369 -0.175 -7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.544 1.605 -9.374 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.276 1.779 -9.574 1.00 0.00 H new ATOM 1139 N ILE A 69 11.209 -1.397 -5.675 1.00 0.00 N ATOM 1140 CA ILE A 69 11.293 -2.697 -5.023 1.00 0.00 C ATOM 1141 C ILE A 69 9.898 -3.086 -4.503 1.00 0.00 C ATOM 1142 O ILE A 69 9.423 -4.193 -4.776 1.00 0.00 O ATOM 1143 CB ILE A 69 12.394 -2.653 -3.931 1.00 0.00 C ATOM 1144 CG1 ILE A 69 13.804 -2.412 -4.516 1.00 0.00 C ATOM 1145 CG2 ILE A 69 12.409 -3.977 -3.165 1.00 0.00 C ATOM 1146 CD1 ILE A 69 14.828 -1.875 -3.503 1.00 0.00 C ATOM 0 H ILE A 69 11.895 -0.728 -5.325 1.00 0.00 H new ATOM 0 HA ILE A 69 11.591 -3.480 -5.720 1.00 0.00 H new ATOM 0 HB ILE A 69 12.154 -1.818 -3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 69 14.177 -3.349 -4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.725 -1.707 -5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.183 -3.945 -2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.439 -4.136 -2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.616 -4.795 -3.856 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.789 -1.735 -3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.481 -0.921 -3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.940 -2.588 -2.686 1.00 0.00 H new ATOM 1158 N LEU A 70 9.214 -2.160 -3.820 1.00 0.00 N ATOM 1159 CA LEU A 70 7.890 -2.400 -3.253 1.00 0.00 C ATOM 1160 C LEU A 70 6.847 -2.692 -4.340 1.00 0.00 C ATOM 1161 O LEU A 70 6.025 -3.598 -4.204 1.00 0.00 O ATOM 1162 CB LEU A 70 7.463 -1.181 -2.400 1.00 0.00 C ATOM 1163 CG LEU A 70 6.588 -1.456 -1.181 1.00 0.00 C ATOM 1164 CD1 LEU A 70 7.145 -2.543 -0.268 1.00 0.00 C ATOM 1165 CD2 LEU A 70 6.431 -0.165 -0.377 1.00 0.00 C ATOM 0 H LEU A 70 9.569 -1.220 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 70 7.947 -3.285 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.366 -0.673 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.931 -0.485 -3.048 1.00 0.00 H new ATOM 0 HG LEU A 70 5.629 -1.814 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.473 -2.687 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.233 -3.476 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.128 -2.244 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.807 -0.354 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.412 0.184 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.963 0.597 -1.000 1.00 0.00 H new ATOM 1177 N ASN A 71 6.883 -1.932 -5.435 1.00 0.00 N ATOM 1178 CA ASN A 71 5.968 -2.067 -6.567 1.00 0.00 C ATOM 1179 C ASN A 71 6.162 -3.387 -7.296 1.00 0.00 C ATOM 1180 O ASN A 71 5.219 -3.913 -7.884 1.00 0.00 O ATOM 1181 CB ASN A 71 6.174 -0.927 -7.571 1.00 0.00 C ATOM 1182 CG ASN A 71 5.209 0.210 -7.298 1.00 0.00 C ATOM 1183 OD1 ASN A 71 4.165 0.332 -7.932 1.00 0.00 O ATOM 1184 ND2 ASN A 71 5.504 1.049 -6.325 1.00 0.00 N ATOM 0 H ASN A 71 7.567 -1.186 -5.562 1.00 0.00 H new ATOM 0 HA ASN A 71 4.958 -2.030 -6.158 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.199 -0.563 -7.509 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.028 -1.299 -8.585 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.862 1.807 -6.093 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.374 0.940 -5.804 1.00 0.00 H new ATOM 1191 N ARG A 72 7.373 -3.931 -7.298 1.00 0.00 N ATOM 1192 CA ARG A 72 7.642 -5.265 -7.832 1.00 0.00 C ATOM 1193 C ARG A 72 7.116 -6.316 -6.843 1.00 0.00 C ATOM 1194 O ARG A 72 6.442 -7.261 -7.263 1.00 0.00 O ATOM 1195 CB ARG A 72 9.143 -5.392 -8.162 1.00 0.00 C ATOM 1196 CG ARG A 72 9.588 -4.364 -9.229 1.00 0.00 C ATOM 1197 CD ARG A 72 9.621 -4.851 -10.687 1.00 0.00 C ATOM 1198 NE ARG A 72 10.979 -5.252 -11.088 1.00 0.00 N ATOM 1199 CZ ARG A 72 11.341 -5.810 -12.249 1.00 0.00 C ATOM 1200 NH1 ARG A 72 10.484 -5.950 -13.253 1.00 0.00 N ATOM 1201 NH2 ARG A 72 12.584 -6.227 -12.398 1.00 0.00 N ATOM 0 H ARG A 72 8.199 -3.460 -6.929 1.00 0.00 H new ATOM 0 HA ARG A 72 7.115 -5.437 -8.770 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.728 -5.248 -7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.352 -6.400 -8.520 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.920 -3.505 -9.173 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.585 -4.011 -8.966 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.941 -5.694 -10.806 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.265 -4.059 -11.345 1.00 0.00 H new ATOM 0 HE ARG A 72 11.723 -5.087 -10.409 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.521 -5.628 -13.151 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.788 -6.379 -14.127 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.252 -6.122 -11.635 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.877 -6.655 -13.277 1.00 0.00 H new ATOM 1215 N ALA A 73 7.305 -6.112 -5.534 1.00 0.00 N ATOM 1216 CA ALA A 73 6.812 -6.994 -4.473 1.00 0.00 C ATOM 1217 C ALA A 73 5.296 -6.982 -4.277 1.00 0.00 C ATOM 1218 O ALA A 73 4.786 -7.798 -3.505 1.00 0.00 O ATOM 1219 CB ALA A 73 7.474 -6.643 -3.145 1.00 0.00 C ATOM 0 H ALA A 73 7.819 -5.307 -5.175 1.00 0.00 H new ATOM 0 HA ALA A 73 7.076 -7.999 -4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.099 -7.306 -2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.554 -6.762 -3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.243 -5.610 -2.885 1.00 0.00 H new ATOM 1225 N LYS A 74 4.554 -6.119 -4.974 1.00 0.00 N ATOM 1226 CA LYS A 74 3.096 -6.116 -4.994 1.00 0.00 C ATOM 1227 C LYS A 74 2.529 -7.530 -5.152 1.00 0.00 C ATOM 1228 O LYS A 74 1.539 -7.853 -4.492 1.00 0.00 O ATOM 1229 CB LYS A 74 2.634 -5.255 -6.178 1.00 0.00 C ATOM 1230 CG LYS A 74 1.875 -3.973 -5.829 1.00 0.00 C ATOM 1231 CD LYS A 74 0.701 -3.791 -6.805 1.00 0.00 C ATOM 1232 CE LYS A 74 1.202 -3.609 -8.244 1.00 0.00 C ATOM 1233 NZ LYS A 74 0.663 -4.620 -9.178 1.00 0.00 N ATOM 0 H LYS A 74 4.964 -5.386 -5.553 1.00 0.00 H new ATOM 0 HA LYS A 74 2.734 -5.715 -4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.511 -4.984 -6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.997 -5.866 -6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.506 -4.024 -4.805 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.545 -3.115 -5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.043 -4.658 -6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.110 -2.924 -6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.926 -2.615 -8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.291 -3.659 -8.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.968 -4.396 -10.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.017 -5.561 -8.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.376 -4.615 -9.133 1.00 0.00 H new ATOM 1247 N GLY A 75 3.147 -8.356 -6.000 1.00 0.00 N ATOM 1248 CA GLY A 75 2.684 -9.699 -6.292 1.00 0.00 C ATOM 1249 C GLY A 75 2.818 -10.646 -5.104 1.00 0.00 C ATOM 1250 O GLY A 75 1.955 -11.505 -4.934 1.00 0.00 O ATOM 0 H GLY A 75 3.995 -8.099 -6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.640 -9.658 -6.601 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.250 -10.098 -7.134 1.00 0.00 H new ATOM 1254 N PHE A 76 3.838 -10.486 -4.257 1.00 0.00 N ATOM 1255 CA PHE A 76 3.908 -11.175 -2.977 1.00 0.00 C ATOM 1256 C PHE A 76 2.806 -10.612 -2.078 1.00 0.00 C ATOM 1257 O PHE A 76 1.933 -11.370 -1.652 1.00 0.00 O ATOM 1258 CB PHE A 76 5.313 -11.039 -2.365 1.00 0.00 C ATOM 1259 CG PHE A 76 5.413 -11.527 -0.929 1.00 0.00 C ATOM 1260 CD1 PHE A 76 5.264 -12.893 -0.622 1.00 0.00 C ATOM 1261 CD2 PHE A 76 5.610 -10.602 0.113 1.00 0.00 C ATOM 1262 CE1 PHE A 76 5.303 -13.322 0.719 1.00 0.00 C ATOM 1263 CE2 PHE A 76 5.676 -11.035 1.447 1.00 0.00 C ATOM 1264 CZ PHE A 76 5.499 -12.394 1.757 1.00 0.00 C ATOM 0 H PHE A 76 4.634 -9.876 -4.443 1.00 0.00 H new ATOM 0 HA PHE A 76 3.742 -12.245 -3.099 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.020 -11.598 -2.978 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.615 -9.992 -2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.120 -13.612 -1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.711 -9.551 -0.115 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.182 -14.370 0.951 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.863 -10.322 2.236 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.513 -12.723 2.785 1.00 0.00 H new ATOM 1274 N PHE A 77 2.816 -9.291 -1.834 1.00 0.00 N ATOM 1275 CA PHE A 77 1.878 -8.614 -0.939 1.00 0.00 C ATOM 1276 C PHE A 77 0.425 -9.050 -1.149 1.00 0.00 C ATOM 1277 O PHE A 77 -0.208 -9.547 -0.224 1.00 0.00 O ATOM 1278 CB PHE A 77 2.046 -7.077 -1.024 1.00 0.00 C ATOM 1279 CG PHE A 77 3.170 -6.549 -0.147 1.00 0.00 C ATOM 1280 CD1 PHE A 77 3.121 -6.810 1.236 1.00 0.00 C ATOM 1281 CD2 PHE A 77 4.258 -5.810 -0.664 1.00 0.00 C ATOM 1282 CE1 PHE A 77 4.145 -6.369 2.088 1.00 0.00 C ATOM 1283 CE2 PHE A 77 5.289 -5.405 0.185 1.00 0.00 C ATOM 1284 CZ PHE A 77 5.242 -5.677 1.564 1.00 0.00 C ATOM 0 H PHE A 77 3.490 -8.657 -2.263 1.00 0.00 H new ATOM 0 HA PHE A 77 2.129 -8.923 0.076 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.239 -6.796 -2.059 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.111 -6.599 -0.732 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.285 -7.357 1.646 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.292 -5.559 -1.714 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.086 -6.564 3.149 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.136 -4.874 -0.223 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.044 -5.355 2.211 1.00 0.00 H new ATOM 1294 N ARG A 78 -0.143 -8.860 -2.342 1.00 0.00 N ATOM 1295 CA ARG A 78 -1.594 -8.968 -2.556 1.00 0.00 C ATOM 1296 C ARG A 78 -2.146 -10.353 -2.267 1.00 0.00 C ATOM 1297 O ARG A 78 -3.332 -10.494 -1.967 1.00 0.00 O ATOM 1298 CB ARG A 78 -1.922 -8.629 -4.013 1.00 0.00 C ATOM 1299 CG ARG A 78 -3.201 -7.782 -4.118 1.00 0.00 C ATOM 1300 CD ARG A 78 -3.353 -7.114 -5.487 1.00 0.00 C ATOM 1301 NE ARG A 78 -3.167 -8.053 -6.603 1.00 0.00 N ATOM 1302 CZ ARG A 78 -2.869 -7.721 -7.861 1.00 0.00 C ATOM 1303 NH1 ARG A 78 -2.820 -6.438 -8.211 1.00 0.00 N ATOM 1304 NH2 ARG A 78 -2.618 -8.693 -8.728 1.00 0.00 N ATOM 0 H ARG A 78 0.383 -8.628 -3.184 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.057 -8.269 -1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.088 -8.087 -4.459 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.046 -9.550 -4.583 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.068 -8.415 -3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.190 -7.016 -3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.343 -6.663 -5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.628 -6.305 -5.574 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.275 -9.046 -6.398 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.010 -5.713 -7.519 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.593 -6.180 -9.171 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.655 -9.667 -8.427 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.388 -8.467 -9.696 1.00 0.00 H new ATOM 1318 N THR A 79 -1.308 -11.361 -2.420 1.00 0.00 N ATOM 1319 CA THR A 79 -1.649 -12.757 -2.200 1.00 0.00 C ATOM 1320 C THR A 79 -1.991 -13.017 -0.721 1.00 0.00 C ATOM 1321 O THR A 79 -2.889 -13.807 -0.420 1.00 0.00 O ATOM 1322 CB THR A 79 -0.488 -13.599 -2.757 1.00 0.00 C ATOM 1323 OG1 THR A 79 -0.165 -13.119 -4.053 1.00 0.00 O ATOM 1324 CG2 THR A 79 -0.828 -15.079 -2.900 1.00 0.00 C ATOM 0 H THR A 79 -0.339 -11.228 -2.710 1.00 0.00 H new ATOM 0 HA THR A 79 -2.557 -13.046 -2.729 1.00 0.00 H new ATOM 0 HB THR A 79 0.335 -13.506 -2.049 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.658 -12.588 -4.010 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.035 -15.614 -3.298 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.090 -15.488 -1.924 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.672 -15.194 -3.580 1.00 0.00 H new ATOM 1332 N PHE A 80 -1.348 -12.288 0.195 1.00 0.00 N ATOM 1333 CA PHE A 80 -1.650 -12.288 1.627 1.00 0.00 C ATOM 1334 C PHE A 80 -2.950 -11.530 1.922 1.00 0.00 C ATOM 1335 O PHE A 80 -3.703 -11.879 2.832 1.00 0.00 O ATOM 1336 CB PHE A 80 -0.479 -11.624 2.362 1.00 0.00 C ATOM 1337 CG PHE A 80 -0.502 -11.777 3.865 1.00 0.00 C ATOM 1338 CD1 PHE A 80 0.012 -12.945 4.452 1.00 0.00 C ATOM 1339 CD2 PHE A 80 -0.982 -10.735 4.678 1.00 0.00 C ATOM 1340 CE1 PHE A 80 0.003 -13.095 5.851 1.00 0.00 C ATOM 1341 CE2 PHE A 80 -0.986 -10.882 6.075 1.00 0.00 C ATOM 1342 CZ PHE A 80 -0.494 -12.062 6.660 1.00 0.00 C ATOM 0 H PHE A 80 -0.580 -11.663 -0.048 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.785 -13.315 1.967 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.453 -12.043 1.983 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.473 -10.561 2.120 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.415 -13.729 3.828 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.347 -9.823 4.229 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.378 -14.003 6.301 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.367 -10.088 6.700 1.00 0.00 H new ATOM 0 HZ PHE A 80 -0.499 -12.174 7.734 1.00 0.00 H new ATOM 1352 N ILE A 81 -3.219 -10.479 1.146 1.00 0.00 N ATOM 1353 CA ILE A 81 -4.376 -9.613 1.328 1.00 0.00 C ATOM 1354 C ILE A 81 -5.632 -10.397 0.954 1.00 0.00 C ATOM 1355 O ILE A 81 -6.489 -10.587 1.809 1.00 0.00 O ATOM 1356 CB ILE A 81 -4.224 -8.289 0.541 1.00 0.00 C ATOM 1357 CG1 ILE A 81 -2.845 -7.662 0.840 1.00 0.00 C ATOM 1358 CG2 ILE A 81 -5.358 -7.306 0.880 1.00 0.00 C ATOM 1359 CD1 ILE A 81 -2.618 -6.287 0.226 1.00 0.00 C ATOM 0 H ILE A 81 -2.627 -10.204 0.362 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.459 -9.313 2.373 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.291 -8.508 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.724 -7.586 1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.069 -8.337 0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.224 -6.386 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.317 -7.755 0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.337 -7.080 1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.623 -5.930 0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.702 -6.355 -0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.366 -5.591 0.605 1.00 0.00 H new ATOM 1371 N ALA A 82 -5.737 -10.882 -0.290 1.00 0.00 N ATOM 1372 CA ALA A 82 -6.933 -11.582 -0.769 1.00 0.00 C ATOM 1373 C ALA A 82 -7.140 -12.947 -0.084 1.00 0.00 C ATOM 1374 O ALA A 82 -8.230 -13.509 -0.147 1.00 0.00 O ATOM 1375 CB ALA A 82 -6.853 -11.760 -2.286 1.00 0.00 C ATOM 0 H ALA A 82 -4.998 -10.800 -0.989 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.794 -10.966 -0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.743 -12.281 -2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.791 -10.783 -2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.968 -12.344 -2.538 1.00 0.00 H new ATOM 1381 N LYS A 83 -6.108 -13.494 0.576 1.00 0.00 N ATOM 1382 CA LYS A 83 -6.259 -14.631 1.486 1.00 0.00 C ATOM 1383 C LYS A 83 -7.230 -14.239 2.599 1.00 0.00 C ATOM 1384 O LYS A 83 -8.174 -14.972 2.898 1.00 0.00 O ATOM 1385 CB LYS A 83 -4.876 -15.050 2.026 1.00 0.00 C ATOM 1386 CG LYS A 83 -4.903 -16.091 3.158 1.00 0.00 C ATOM 1387 CD LYS A 83 -3.496 -16.362 3.728 1.00 0.00 C ATOM 1388 CE LYS A 83 -2.890 -17.690 3.247 1.00 0.00 C ATOM 1389 NZ LYS A 83 -3.220 -18.820 4.146 1.00 0.00 N ATOM 0 H LYS A 83 -5.148 -13.159 0.492 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.673 -15.496 0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -4.287 -15.450 1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.359 -14.160 2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.556 -15.741 3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.328 -17.022 2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.833 -15.544 3.444 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.548 -16.368 4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.254 -17.910 2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.807 -17.588 3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.789 -19.693 3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.851 -18.625 5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.252 -18.937 4.192 1.00 0.00 H new ATOM 1403 N ASN A 84 -6.982 -13.096 3.236 1.00 0.00 N ATOM 1404 CA ASN A 84 -7.802 -12.587 4.323 1.00 0.00 C ATOM 1405 C ASN A 84 -9.099 -12.027 3.754 1.00 0.00 C ATOM 1406 O ASN A 84 -10.179 -12.583 3.969 1.00 0.00 O ATOM 1407 CB ASN A 84 -7.023 -11.517 5.109 1.00 0.00 C ATOM 1408 CG ASN A 84 -6.012 -12.151 6.038 1.00 0.00 C ATOM 1409 OD1 ASN A 84 -6.343 -12.493 7.170 1.00 0.00 O ATOM 1410 ND2 ASN A 84 -4.791 -12.367 5.587 1.00 0.00 N ATOM 0 H ASN A 84 -6.193 -12.492 3.005 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.049 -13.393 5.014 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.514 -10.850 4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.718 -10.907 5.685 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.101 -12.826 6.182 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.537 -12.075 4.643 1.00 0.00 H new ATOM 1417 N LEU A 85 -8.998 -10.906 3.041 1.00 0.00 N ATOM 1418 CA LEU A 85 -10.128 -10.147 2.537 1.00 0.00 C ATOM 1419 C LEU A 85 -10.868 -10.992 1.513 1.00 0.00 C ATOM 1420 O LEU A 85 -10.324 -11.271 0.448 1.00 0.00 O ATOM 1421 CB LEU A 85 -9.658 -8.810 1.921 1.00 0.00 C ATOM 1422 CG LEU A 85 -10.436 -7.583 2.421 1.00 0.00 C ATOM 1423 CD1 LEU A 85 -11.940 -7.650 2.141 1.00 0.00 C ATOM 1424 CD2 LEU A 85 -10.202 -7.356 3.918 1.00 0.00 C ATOM 0 H LEU A 85 -8.098 -10.494 2.794 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.803 -9.905 3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.600 -8.672 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.751 -8.869 0.837 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.044 -6.740 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.422 -6.750 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.107 -7.723 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.363 -8.525 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.764 -6.482 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.535 -8.231 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.140 -7.193 4.100 1.00 0.00 H new ATOM 1436 N ARG A 86 -12.099 -11.392 1.832 1.00 0.00 N ATOM 1437 CA ARG A 86 -12.997 -12.079 0.910 1.00 0.00 C ATOM 1438 C ARG A 86 -13.283 -11.192 -0.312 1.00 0.00 C ATOM 1439 O ARG A 86 -14.221 -10.392 -0.304 1.00 0.00 O ATOM 1440 CB ARG A 86 -14.251 -12.573 1.661 1.00 0.00 C ATOM 1441 CG ARG A 86 -15.074 -11.490 2.390 1.00 0.00 C ATOM 1442 CD ARG A 86 -16.447 -11.312 1.732 1.00 0.00 C ATOM 1443 NE ARG A 86 -17.126 -10.074 2.152 1.00 0.00 N ATOM 1444 CZ ARG A 86 -18.198 -9.564 1.533 1.00 0.00 C ATOM 1445 NH1 ARG A 86 -18.712 -10.164 0.467 1.00 0.00 N ATOM 1446 NH2 ARG A 86 -18.776 -8.455 1.976 1.00 0.00 N ATOM 0 H ARG A 86 -12.505 -11.244 2.756 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.524 -12.977 0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.903 -13.077 0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.941 -13.320 2.392 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -15.201 -11.767 3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -14.533 -10.544 2.374 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -16.327 -11.306 0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -17.076 -12.167 1.978 1.00 0.00 H new ATOM 0 HE ARG A 86 -16.758 -9.576 2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -18.290 -11.022 0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -19.529 -9.767 0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -18.404 -7.980 2.798 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -19.592 -8.078 1.494 1.00 0.00 H new ATOM 1460 N LEU A 87 -12.436 -11.288 -1.337 1.00 0.00 N ATOM 1461 CA LEU A 87 -12.513 -10.617 -2.625 1.00 0.00 C ATOM 1462 C LEU A 87 -11.700 -11.450 -3.609 1.00 0.00 C ATOM 1463 O LEU A 87 -10.508 -11.645 -3.392 1.00 0.00 O ATOM 1464 CB LEU A 87 -11.894 -9.202 -2.557 1.00 0.00 C ATOM 1465 CG LEU A 87 -12.910 -8.063 -2.374 1.00 0.00 C ATOM 1466 CD1 LEU A 87 -12.169 -6.740 -2.157 1.00 0.00 C ATOM 1467 CD2 LEU A 87 -13.816 -7.920 -3.604 1.00 0.00 C ATOM 0 H LEU A 87 -11.613 -11.887 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.556 -10.519 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.182 -9.171 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.329 -9.023 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.526 -8.303 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.892 -5.935 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.545 -6.814 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.541 -6.528 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -14.523 -7.106 -3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.207 -7.703 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -14.363 -8.849 -3.763 1.00 0.00 H new ATOM 1479 N TYR A 88 -12.319 -11.887 -4.711 1.00 0.00 N ATOM 1480 CA TYR A 88 -11.618 -12.531 -5.825 1.00 0.00 C ATOM 1481 C TYR A 88 -10.459 -11.652 -6.315 1.00 0.00 C ATOM 1482 O TYR A 88 -9.329 -12.119 -6.489 1.00 0.00 O ATOM 1483 CB TYR A 88 -12.621 -12.798 -6.964 1.00 0.00 C ATOM 1484 CG TYR A 88 -11.974 -13.137 -8.297 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -11.390 -14.400 -8.497 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -11.936 -12.183 -9.335 1.00 0.00 C ATOM 1487 CE1 TYR A 88 -10.813 -14.726 -9.735 1.00 0.00 C ATOM 1488 CE2 TYR A 88 -11.326 -12.485 -10.566 1.00 0.00 C ATOM 1489 CZ TYR A 88 -10.779 -13.775 -10.777 1.00 0.00 C ATOM 1490 OH TYR A 88 -10.220 -14.129 -11.962 1.00 0.00 O ATOM 0 H TYR A 88 -13.325 -11.803 -4.855 1.00 0.00 H new ATOM 0 HA TYR A 88 -11.196 -13.478 -5.489 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -13.276 -13.619 -6.671 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -13.251 -11.918 -7.092 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -11.385 -15.123 -7.695 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -12.380 -11.210 -9.183 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.393 -15.709 -9.890 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.275 -11.739 -11.345 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.269 -13.374 -12.585 1.00 0.00 H new ATOM 1500 N VAL A 89 -10.741 -10.370 -6.553 1.00 0.00 N ATOM 1501 CA VAL A 89 -9.793 -9.405 -7.071 1.00 0.00 C ATOM 1502 C VAL A 89 -9.793 -8.205 -6.131 1.00 0.00 C ATOM 1503 O VAL A 89 -10.772 -7.465 -6.031 1.00 0.00 O ATOM 1504 CB VAL A 89 -10.050 -9.114 -8.561 1.00 0.00 C ATOM 1505 CG1 VAL A 89 -11.426 -8.516 -8.861 1.00 0.00 C ATOM 1506 CG2 VAL A 89 -8.967 -8.181 -9.102 1.00 0.00 C ATOM 0 H VAL A 89 -11.664 -9.971 -6.383 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.773 -9.790 -7.079 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.022 -10.083 -9.059 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.522 -8.343 -9.933 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -12.202 -9.208 -8.534 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.536 -7.571 -8.330 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.154 -7.979 -10.157 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.982 -7.244 -8.545 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.991 -8.653 -8.991 1.00 0.00 H new ATOM 1516 N ALA A 90 -8.701 -8.080 -5.387 1.00 0.00 N ATOM 1517 CA ALA A 90 -8.354 -6.915 -4.593 1.00 0.00 C ATOM 1518 C ALA A 90 -7.839 -5.809 -5.531 1.00 0.00 C ATOM 1519 O ALA A 90 -7.410 -6.121 -6.646 1.00 0.00 O ATOM 1520 CB ALA A 90 -7.289 -7.336 -3.560 1.00 0.00 C ATOM 0 H ALA A 90 -8.005 -8.822 -5.320 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.219 -6.523 -4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.012 -6.475 -2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.694 -8.119 -2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.407 -7.712 -4.079 1.00 0.00 H new ATOM 1526 N PRO A 91 -7.834 -4.531 -5.115 1.00 0.00 N ATOM 1527 CA PRO A 91 -7.274 -3.438 -5.905 1.00 0.00 C ATOM 1528 C PRO A 91 -5.753 -3.547 -6.076 1.00 0.00 C ATOM 1529 O PRO A 91 -5.069 -4.323 -5.404 1.00 0.00 O ATOM 1530 CB PRO A 91 -7.636 -2.157 -5.144 1.00 0.00 C ATOM 1531 CG PRO A 91 -7.822 -2.631 -3.709 1.00 0.00 C ATOM 1532 CD PRO A 91 -8.408 -4.025 -3.881 1.00 0.00 C ATOM 0 HA PRO A 91 -7.680 -3.455 -6.916 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -6.846 -1.409 -5.220 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -8.545 -1.701 -5.536 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -6.877 -2.655 -3.166 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -8.493 -1.977 -3.152 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -8.153 -4.666 -3.037 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -9.496 -3.990 -3.938 1.00 0.00 H new ATOM 1540 N GLU A 92 -5.209 -2.699 -6.947 1.00 0.00 N ATOM 1541 CA GLU A 92 -3.780 -2.477 -7.051 1.00 0.00 C ATOM 1542 C GLU A 92 -3.325 -1.715 -5.801 1.00 0.00 C ATOM 1543 O GLU A 92 -3.752 -0.577 -5.599 1.00 0.00 O ATOM 1544 CB GLU A 92 -3.474 -1.686 -8.336 1.00 0.00 C ATOM 1545 CG GLU A 92 -2.180 -2.141 -9.014 1.00 0.00 C ATOM 1546 CD GLU A 92 -2.421 -3.236 -10.056 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -2.931 -2.913 -11.150 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -1.956 -4.387 -9.864 1.00 0.00 O ATOM 0 H GLU A 92 -5.759 -2.145 -7.604 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.240 -3.422 -7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.304 -1.798 -9.034 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.400 -0.625 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.704 -1.286 -9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.487 -2.509 -8.258 1.00 0.00 H new ATOM 1555 N ILE A 93 -2.486 -2.338 -4.969 1.00 0.00 N ATOM 1556 CA ILE A 93 -1.811 -1.694 -3.847 1.00 0.00 C ATOM 1557 C ILE A 93 -0.775 -0.732 -4.437 1.00 0.00 C ATOM 1558 O ILE A 93 0.281 -1.156 -4.913 1.00 0.00 O ATOM 1559 CB ILE A 93 -1.138 -2.744 -2.934 1.00 0.00 C ATOM 1560 CG1 ILE A 93 -2.074 -3.882 -2.469 1.00 0.00 C ATOM 1561 CG2 ILE A 93 -0.489 -2.058 -1.719 1.00 0.00 C ATOM 1562 CD1 ILE A 93 -3.113 -3.477 -1.425 1.00 0.00 C ATOM 0 H ILE A 93 -2.254 -3.327 -5.062 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.525 -1.152 -3.227 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.376 -3.222 -3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.593 -4.284 -3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.465 -4.689 -2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.019 -2.810 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.265 -1.349 -2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.253 -1.529 -1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.721 -4.342 -1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.607 -3.105 -0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.752 -2.694 -1.833 1.00 0.00 H new ATOM 1574 N ARG A 94 -1.085 0.556 -4.467 1.00 0.00 N ATOM 1575 CA ARG A 94 -0.159 1.573 -4.930 1.00 0.00 C ATOM 1576 C ARG A 94 0.652 2.016 -3.735 1.00 0.00 C ATOM 1577 O ARG A 94 0.077 2.254 -2.673 1.00 0.00 O ATOM 1578 CB ARG A 94 -0.884 2.773 -5.536 1.00 0.00 C ATOM 1579 CG ARG A 94 -2.188 2.413 -6.259 1.00 0.00 C ATOM 1580 CD ARG A 94 -2.481 3.474 -7.307 1.00 0.00 C ATOM 1581 NE ARG A 94 -1.704 3.225 -8.519 1.00 0.00 N ATOM 1582 CZ ARG A 94 -1.944 3.790 -9.696 1.00 0.00 C ATOM 1583 NH1 ARG A 94 -2.786 4.812 -9.806 1.00 0.00 N ATOM 1584 NH2 ARG A 94 -1.331 3.294 -10.758 1.00 0.00 N ATOM 0 H ARG A 94 -1.989 0.924 -4.170 1.00 0.00 H new ATOM 0 HA ARG A 94 0.474 1.157 -5.714 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.105 3.489 -4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.216 3.271 -6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -2.100 1.434 -6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -3.010 2.351 -5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.545 3.475 -7.544 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.241 4.461 -6.911 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.923 2.572 -8.456 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.259 5.174 -8.978 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.959 5.234 -10.718 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.697 2.502 -10.657 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.493 3.704 -11.678 1.00 0.00 H new ATOM 1598 N PHE A 95 1.958 2.173 -3.915 1.00 0.00 N ATOM 1599 CA PHE A 95 2.827 2.618 -2.848 1.00 0.00 C ATOM 1600 C PHE A 95 3.247 4.050 -3.107 1.00 0.00 C ATOM 1601 O PHE A 95 4.241 4.293 -3.794 1.00 0.00 O ATOM 1602 CB PHE A 95 4.012 1.679 -2.693 1.00 0.00 C ATOM 1603 CG PHE A 95 3.581 0.294 -2.264 1.00 0.00 C ATOM 1604 CD1 PHE A 95 3.151 0.107 -0.936 1.00 0.00 C ATOM 1605 CD2 PHE A 95 3.586 -0.788 -3.170 1.00 0.00 C ATOM 1606 CE1 PHE A 95 2.759 -1.175 -0.511 1.00 0.00 C ATOM 1607 CE2 PHE A 95 3.222 -2.072 -2.729 1.00 0.00 C ATOM 1608 CZ PHE A 95 2.824 -2.266 -1.396 1.00 0.00 C ATOM 0 H PHE A 95 2.435 1.996 -4.799 1.00 0.00 H new ATOM 0 HA PHE A 95 2.291 2.595 -1.899 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.551 1.615 -3.638 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.705 2.088 -1.958 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.123 0.941 -0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.869 -0.630 -4.200 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.407 -1.322 0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.248 -2.907 -3.413 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.567 -3.256 -1.050 1.00 0.00 H new ATOM 1618 N TYR A 96 2.483 4.996 -2.581 1.00 0.00 N ATOM 1619 CA TYR A 96 2.884 6.395 -2.527 1.00 0.00 C ATOM 1620 C TYR A 96 3.493 6.665 -1.168 1.00 0.00 C ATOM 1621 O TYR A 96 3.020 6.179 -0.140 1.00 0.00 O ATOM 1622 CB TYR A 96 1.702 7.336 -2.745 1.00 0.00 C ATOM 1623 CG TYR A 96 1.057 7.165 -4.098 1.00 0.00 C ATOM 1624 CD1 TYR A 96 1.676 7.686 -5.250 1.00 0.00 C ATOM 1625 CD2 TYR A 96 -0.147 6.454 -4.200 1.00 0.00 C ATOM 1626 CE1 TYR A 96 1.092 7.485 -6.512 1.00 0.00 C ATOM 1627 CE2 TYR A 96 -0.743 6.265 -5.454 1.00 0.00 C ATOM 1628 CZ TYR A 96 -0.115 6.764 -6.620 1.00 0.00 C ATOM 1629 OH TYR A 96 -0.658 6.557 -7.850 1.00 0.00 O ATOM 0 H TYR A 96 1.564 4.815 -2.178 1.00 0.00 H new ATOM 0 HA TYR A 96 3.603 6.579 -3.325 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.957 7.162 -1.968 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.040 8.367 -2.637 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.599 8.240 -5.164 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -0.615 6.052 -3.313 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.566 7.882 -7.397 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -1.683 5.738 -5.531 1.00 0.00 H new ATOM 0 HH TYR A 96 0.056 6.515 -8.520 1.00 0.00 H new ATOM 1639 N GLU A 97 4.581 7.405 -1.153 1.00 0.00 N ATOM 1640 CA GLU A 97 5.307 7.764 0.044 1.00 0.00 C ATOM 1641 C GLU A 97 4.596 9.038 0.522 1.00 0.00 C ATOM 1642 O GLU A 97 4.857 10.122 0.001 1.00 0.00 O ATOM 1643 CB GLU A 97 6.794 8.049 -0.307 1.00 0.00 C ATOM 1644 CG GLU A 97 7.359 7.395 -1.591 1.00 0.00 C ATOM 1645 CD GLU A 97 7.171 8.220 -2.874 1.00 0.00 C ATOM 1646 OE1 GLU A 97 6.006 8.383 -3.300 1.00 0.00 O ATOM 1647 OE2 GLU A 97 8.181 8.626 -3.506 1.00 0.00 O ATOM 0 H GLU A 97 4.997 7.785 -2.003 1.00 0.00 H new ATOM 0 HA GLU A 97 5.316 6.982 0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.919 9.128 -0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.407 7.725 0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.424 7.209 -1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.882 6.425 -1.727 1.00 0.00 H new ATOM 1654 N ASP A 98 3.529 8.873 1.306 1.00 0.00 N ATOM 1655 CA ASP A 98 2.871 9.890 2.132 1.00 0.00 C ATOM 1656 C ASP A 98 2.710 11.242 1.426 1.00 0.00 C ATOM 1657 O ASP A 98 3.368 12.214 1.789 1.00 0.00 O ATOM 1658 CB ASP A 98 3.386 9.947 3.579 1.00 0.00 C ATOM 1659 CG ASP A 98 2.420 10.797 4.420 1.00 0.00 C ATOM 1660 OD1 ASP A 98 1.292 10.282 4.622 1.00 0.00 O ATOM 1661 OD2 ASP A 98 2.767 11.889 4.919 1.00 0.00 O ATOM 0 H ASP A 98 3.070 7.966 1.387 1.00 0.00 H new ATOM 0 HA ASP A 98 1.843 9.549 2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 98 3.460 8.941 3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 98 4.387 10.377 3.606 1.00 0.00 H new ATOM 1666 N LYS A 99 1.881 11.280 0.371 1.00 0.00 N ATOM 1667 CA LYS A 99 1.801 12.411 -0.563 1.00 0.00 C ATOM 1668 C LYS A 99 1.746 13.756 0.160 1.00 0.00 C ATOM 1669 O LYS A 99 2.634 14.591 -0.023 1.00 0.00 O ATOM 1670 CB LYS A 99 0.614 12.255 -1.538 1.00 0.00 C ATOM 1671 CG LYS A 99 1.001 11.511 -2.820 1.00 0.00 C ATOM 1672 CD LYS A 99 -0.174 11.459 -3.814 1.00 0.00 C ATOM 1673 CE LYS A 99 0.320 11.115 -5.225 1.00 0.00 C ATOM 1674 NZ LYS A 99 1.032 12.253 -5.844 1.00 0.00 N ATOM 0 H LYS A 99 1.242 10.519 0.141 1.00 0.00 H new ATOM 0 HA LYS A 99 2.721 12.400 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.193 11.718 -1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 99 0.228 13.241 -1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.853 12.005 -3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.316 10.497 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.900 10.715 -3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.687 12.421 -3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.984 10.252 -5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.528 10.832 -5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.128 12.088 -6.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.493 13.128 -5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.976 12.345 -5.418 1.00 0.00 H new