USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 576 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 11 THR OG1 : rot -78:sc= 0.657 USER MOD Set 1.2: A 21 SER OG : rot 180:sc= 0.594 USER MOD Single : A 8 MET CE :methyl -111:sc= -3.42! (180deg=-7.47!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 130:sc= -0.048 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= -0.0784 (180deg=-0.0873) USER MOD Single : A 35 GLN : amide:sc= 0.457 X(o=0.46,f=-0.0098) USER MOD Single : A 38 SER OG : rot 75:sc= 0.167 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.00018) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc=-0.00355 K(o=-0.0035,f=-2.6) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 30:sc= 0.505 USER MOD Single : A 67 SER OG : rot -61:sc= 0.192 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 72 SER OG : rot 116:sc= 0.0178 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.029 -14.212 4.237 1.00 0.00 N ATOM 60 CA GLY A 7 5.532 -12.949 3.723 1.00 0.00 C ATOM 61 C GLY A 7 6.615 -11.893 3.632 1.00 0.00 C ATOM 62 O GLY A 7 7.803 -12.213 3.605 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.100 -13.107 2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.731 -12.588 4.368 1.00 0.00 H new ATOM 66 N MET A 8 6.205 -10.630 3.582 1.00 0.00 N ATOM 67 CA MET A 8 7.150 -9.523 3.493 1.00 0.00 C ATOM 68 C MET A 8 6.621 -8.296 4.229 1.00 0.00 C ATOM 69 O MET A 8 5.411 -8.128 4.383 1.00 0.00 O ATOM 70 CB MET A 8 7.425 -9.175 2.029 1.00 0.00 C ATOM 71 CG MET A 8 6.279 -8.439 1.354 1.00 0.00 C ATOM 72 SD MET A 8 6.817 -7.475 -0.072 1.00 0.00 S ATOM 73 CE MET A 8 5.244 -7.108 -0.845 1.00 0.00 C ATOM 0 H MET A 8 5.225 -10.348 3.602 1.00 0.00 H new ATOM 0 HA MET A 8 8.081 -9.835 3.966 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.324 -8.561 1.973 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.631 -10.093 1.478 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.526 -9.160 1.037 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.802 -7.777 2.076 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.166 -7.652 -1.786 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.433 -7.411 -0.182 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.174 -6.037 -1.038 1.00 0.00 H new ATOM 83 N GLN A 9 7.534 -7.442 4.679 1.00 0.00 N ATOM 84 CA GLN A 9 7.157 -6.231 5.399 1.00 0.00 C ATOM 85 C GLN A 9 7.038 -5.046 4.446 1.00 0.00 C ATOM 86 O GLN A 9 7.880 -4.856 3.567 1.00 0.00 O ATOM 87 CB GLN A 9 8.183 -5.921 6.491 1.00 0.00 C ATOM 88 CG GLN A 9 7.765 -4.790 7.415 1.00 0.00 C ATOM 89 CD GLN A 9 8.911 -4.275 8.264 1.00 0.00 C ATOM 90 OE1 GLN A 9 9.743 -3.497 7.798 1.00 0.00 O ATOM 91 NE2 GLN A 9 8.960 -4.709 9.518 1.00 0.00 N ATOM 0 H GLN A 9 8.539 -7.566 4.558 1.00 0.00 H new ATOM 0 HA GLN A 9 6.185 -6.401 5.861 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.353 -6.820 7.084 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.133 -5.664 6.023 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.362 -3.970 6.820 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.962 -5.136 8.066 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.249 -5.354 9.863 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.709 -4.397 10.137 1.00 0.00 H new ATOM 100 N LEU A 10 5.988 -4.252 4.625 1.00 0.00 N ATOM 101 CA LEU A 10 5.758 -3.085 3.781 1.00 0.00 C ATOM 102 C LEU A 10 5.477 -1.847 4.627 1.00 0.00 C ATOM 103 O LEU A 10 4.597 -1.858 5.489 1.00 0.00 O ATOM 104 CB LEU A 10 4.589 -3.342 2.829 1.00 0.00 C ATOM 105 CG LEU A 10 4.868 -4.295 1.666 1.00 0.00 C ATOM 106 CD1 LEU A 10 3.604 -4.529 0.853 1.00 0.00 C ATOM 107 CD2 LEU A 10 5.979 -3.748 0.782 1.00 0.00 C ATOM 0 H LEU A 10 5.282 -4.395 5.347 1.00 0.00 H new ATOM 0 HA LEU A 10 6.661 -2.906 3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.756 -3.741 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.263 -2.386 2.419 1.00 0.00 H new ATOM 0 HG LEU A 10 5.195 -5.251 2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.822 -5.209 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.836 -4.966 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.247 -3.580 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.164 -4.440 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.681 -2.779 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.889 -3.633 1.371 1.00 0.00 H new ATOM 119 N THR A 11 6.228 -0.780 4.375 1.00 0.00 N ATOM 120 CA THR A 11 6.059 0.465 5.112 1.00 0.00 C ATOM 121 C THR A 11 5.501 1.564 4.215 1.00 0.00 C ATOM 122 O THR A 11 6.211 2.111 3.371 1.00 0.00 O ATOM 123 CB THR A 11 7.391 0.943 5.721 1.00 0.00 C ATOM 124 OG1 THR A 11 7.961 -0.094 6.527 1.00 0.00 O ATOM 125 CG2 THR A 11 7.184 2.191 6.565 1.00 0.00 C ATOM 0 H THR A 11 6.960 -0.754 3.665 1.00 0.00 H new ATOM 0 HA THR A 11 5.352 0.262 5.916 1.00 0.00 H new ATOM 0 HB THR A 11 8.072 1.185 4.905 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.497 -0.130 7.389 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.139 2.509 6.984 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.777 2.988 5.942 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.488 1.972 7.374 1.00 0.00 H new ATOM 133 N VAL A 12 4.225 1.884 4.403 1.00 0.00 N ATOM 134 CA VAL A 12 3.571 2.920 3.612 1.00 0.00 C ATOM 135 C VAL A 12 3.874 4.307 4.165 1.00 0.00 C ATOM 136 O VAL A 12 3.520 4.626 5.301 1.00 0.00 O ATOM 137 CB VAL A 12 2.045 2.716 3.572 1.00 0.00 C ATOM 138 CG1 VAL A 12 1.403 3.682 2.587 1.00 0.00 C ATOM 139 CG2 VAL A 12 1.709 1.276 3.215 1.00 0.00 C ATOM 0 H VAL A 12 3.623 1.440 5.097 1.00 0.00 H new ATOM 0 HA VAL A 12 3.967 2.842 2.599 1.00 0.00 H new ATOM 0 HB VAL A 12 1.642 2.924 4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.325 3.523 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.615 4.707 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.809 3.509 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.627 1.150 3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.124 1.038 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.136 0.607 3.962 1.00 0.00 H new ATOM 149 N LYS A 13 4.531 5.131 3.355 1.00 0.00 N ATOM 150 CA LYS A 13 4.880 6.487 3.762 1.00 0.00 C ATOM 151 C LYS A 13 4.149 7.517 2.907 1.00 0.00 C ATOM 152 O LYS A 13 4.083 7.388 1.685 1.00 0.00 O ATOM 153 CB LYS A 13 6.392 6.700 3.655 1.00 0.00 C ATOM 154 CG LYS A 13 6.931 7.736 4.625 1.00 0.00 C ATOM 155 CD LYS A 13 8.274 8.281 4.171 1.00 0.00 C ATOM 156 CE LYS A 13 8.108 9.369 3.120 1.00 0.00 C ATOM 157 NZ LYS A 13 9.402 10.031 2.798 1.00 0.00 N ATOM 0 H LYS A 13 4.832 4.883 2.413 1.00 0.00 H new ATOM 0 HA LYS A 13 4.573 6.619 4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.897 5.751 3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.636 7.006 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.218 8.555 4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.034 7.290 5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.814 8.682 5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.878 7.470 3.764 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.686 8.936 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.398 10.114 3.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.247 10.766 2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.793 10.466 3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.072 9.324 2.432 1.00 0.00 H new ATOM 171 N ALA A 14 3.604 8.539 3.557 1.00 0.00 N ATOM 172 CA ALA A 14 2.881 9.593 2.856 1.00 0.00 C ATOM 173 C ALA A 14 3.780 10.798 2.599 1.00 0.00 C ATOM 174 O ALA A 14 4.811 10.967 3.252 1.00 0.00 O ATOM 175 CB ALA A 14 1.651 10.008 3.649 1.00 0.00 C ATOM 0 H ALA A 14 3.649 8.660 4.569 1.00 0.00 H new ATOM 0 HA ALA A 14 2.561 9.200 1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.121 10.796 3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.992 9.149 3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.957 10.377 4.628 1.00 0.00 H new ATOM 224 N ARG A 18 2.497 11.194 7.305 1.00 0.00 N ATOM 225 CA ARG A 18 2.472 10.071 8.234 1.00 0.00 C ATOM 226 C ARG A 18 2.936 8.789 7.550 1.00 0.00 C ATOM 227 O ARG A 18 3.197 8.775 6.347 1.00 0.00 O ATOM 228 CB ARG A 18 1.063 9.880 8.798 1.00 0.00 C ATOM 229 CG ARG A 18 0.646 10.965 9.777 1.00 0.00 C ATOM 230 CD ARG A 18 -0.868 11.083 9.866 1.00 0.00 C ATOM 231 NE ARG A 18 -1.285 12.366 10.425 1.00 0.00 N ATOM 232 CZ ARG A 18 -2.554 12.712 10.605 1.00 0.00 C ATOM 233 NH1 ARG A 18 -3.526 11.874 10.271 1.00 0.00 N ATOM 234 NH2 ARG A 18 -2.854 13.898 11.120 1.00 0.00 N ATOM 0 HA ARG A 18 3.157 10.293 9.052 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.351 9.854 7.973 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.009 8.912 9.297 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.053 10.743 10.763 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.069 11.920 9.465 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.300 10.963 8.872 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.259 10.274 10.483 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.561 13.033 10.692 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.299 10.962 9.875 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.500 12.142 10.410 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.109 14.545 11.378 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.830 14.162 11.258 1.00 0.00 H new ATOM 248 N GLU A 19 3.038 7.713 8.325 1.00 0.00 N ATOM 249 CA GLU A 19 3.472 6.427 7.793 1.00 0.00 C ATOM 250 C GLU A 19 3.024 5.284 8.700 1.00 0.00 C ATOM 251 O GLU A 19 2.559 5.510 9.818 1.00 0.00 O ATOM 252 CB GLU A 19 4.994 6.402 7.637 1.00 0.00 C ATOM 253 CG GLU A 19 5.739 6.944 8.846 1.00 0.00 C ATOM 254 CD GLU A 19 7.218 6.612 8.817 1.00 0.00 C ATOM 255 OE1 GLU A 19 7.965 7.294 8.085 1.00 0.00 O ATOM 256 OE2 GLU A 19 7.628 5.670 9.526 1.00 0.00 O ATOM 0 H GLU A 19 2.826 7.707 9.323 1.00 0.00 H new ATOM 0 HA GLU A 19 3.011 6.293 6.814 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.315 5.377 7.453 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.270 6.986 6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.614 8.026 8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.296 6.535 9.754 1.00 0.00 H new ATOM 263 N CYS A 20 3.167 4.058 8.210 1.00 0.00 N ATOM 264 CA CYS A 20 2.776 2.879 8.975 1.00 0.00 C ATOM 265 C CYS A 20 3.311 1.607 8.324 1.00 0.00 C ATOM 266 O CYS A 20 3.368 1.501 7.099 1.00 0.00 O ATOM 267 CB CYS A 20 1.253 2.804 9.094 1.00 0.00 C ATOM 268 SG CYS A 20 0.670 1.991 10.600 1.00 0.00 S ATOM 0 H CYS A 20 3.551 3.854 7.287 1.00 0.00 H new ATOM 0 HA CYS A 20 3.207 2.964 9.973 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.846 3.815 9.059 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.857 2.271 8.230 1.00 0.00 H new ATOM 0 HG CYS A 20 -0.220 2.740 11.181 1.00 0.00 H new ATOM 274 N SER A 21 3.703 0.644 9.152 1.00 0.00 N ATOM 275 CA SER A 21 4.238 -0.619 8.658 1.00 0.00 C ATOM 276 C SER A 21 3.199 -1.730 8.769 1.00 0.00 C ATOM 277 O SER A 21 2.322 -1.692 9.633 1.00 0.00 O ATOM 278 CB SER A 21 5.497 -1.003 9.437 1.00 0.00 C ATOM 279 OG SER A 21 6.579 -0.146 9.113 1.00 0.00 O ATOM 0 H SER A 21 3.660 0.715 10.169 1.00 0.00 H new ATOM 0 HA SER A 21 4.495 -0.490 7.607 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.296 -0.952 10.507 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.767 -2.035 9.213 1.00 0.00 H new ATOM 0 HG SER A 21 7.371 -0.411 9.625 1.00 0.00 H new ATOM 285 N LEU A 22 3.303 -2.719 7.888 1.00 0.00 N ATOM 286 CA LEU A 22 2.373 -3.843 7.886 1.00 0.00 C ATOM 287 C LEU A 22 3.035 -5.097 7.325 1.00 0.00 C ATOM 288 O LEU A 22 3.987 -5.013 6.549 1.00 0.00 O ATOM 289 CB LEU A 22 1.128 -3.498 7.065 1.00 0.00 C ATOM 290 CG LEU A 22 -0.008 -2.812 7.824 1.00 0.00 C ATOM 291 CD1 LEU A 22 -0.797 -1.902 6.896 1.00 0.00 C ATOM 292 CD2 LEU A 22 -0.922 -3.845 8.465 1.00 0.00 C ATOM 0 H LEU A 22 4.022 -2.765 7.166 1.00 0.00 H new ATOM 0 HA LEU A 22 2.078 -4.041 8.917 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.429 -2.852 6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.741 -4.417 6.625 1.00 0.00 H new ATOM 0 HG LEU A 22 0.427 -2.201 8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.601 -1.422 7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.135 -1.139 6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.221 -2.491 6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.725 -3.338 9.001 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.349 -4.483 7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.349 -4.455 9.163 1.00 0.00 H new ATOM 304 N GLN A 23 2.523 -6.258 7.721 1.00 0.00 N ATOM 305 CA GLN A 23 3.065 -7.529 7.256 1.00 0.00 C ATOM 306 C GLN A 23 2.162 -8.149 6.194 1.00 0.00 C ATOM 307 O GLN A 23 0.972 -8.362 6.423 1.00 0.00 O ATOM 308 CB GLN A 23 3.231 -8.497 8.429 1.00 0.00 C ATOM 309 CG GLN A 23 4.342 -8.103 9.389 1.00 0.00 C ATOM 310 CD GLN A 23 4.288 -8.877 10.692 1.00 0.00 C ATOM 311 OE1 GLN A 23 5.154 -9.707 10.970 1.00 0.00 O ATOM 312 NE2 GLN A 23 3.268 -8.608 11.499 1.00 0.00 N ATOM 0 H GLN A 23 1.734 -6.345 8.362 1.00 0.00 H new ATOM 0 HA GLN A 23 4.042 -7.338 6.811 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.291 -8.555 8.978 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.435 -9.495 8.040 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.307 -8.271 8.911 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.273 -7.036 9.601 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.573 -7.912 11.228 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.180 -9.097 12.390 1.00 0.00 H new ATOM 321 N VAL A 24 2.737 -8.437 5.030 1.00 0.00 N ATOM 322 CA VAL A 24 1.986 -9.033 3.933 1.00 0.00 C ATOM 323 C VAL A 24 2.918 -9.683 2.917 1.00 0.00 C ATOM 324 O VAL A 24 4.068 -9.278 2.745 1.00 0.00 O ATOM 325 CB VAL A 24 1.113 -7.986 3.216 1.00 0.00 C ATOM 326 CG1 VAL A 24 -0.208 -7.801 3.947 1.00 0.00 C ATOM 327 CG2 VAL A 24 1.857 -6.664 3.098 1.00 0.00 C ATOM 0 H VAL A 24 3.721 -8.267 4.823 1.00 0.00 H new ATOM 0 HA VAL A 24 1.341 -9.796 4.369 1.00 0.00 H new ATOM 0 HB VAL A 24 0.896 -8.346 2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.811 -7.058 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.745 -8.749 3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.016 -7.463 4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.226 -5.935 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.105 -6.296 4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.773 -6.812 2.527 1.00 0.00 H new ATOM 337 N PRO A 25 2.413 -10.716 2.226 1.00 0.00 N ATOM 338 CA PRO A 25 3.184 -11.444 1.213 1.00 0.00 C ATOM 339 C PRO A 25 3.438 -10.606 -0.035 1.00 0.00 C ATOM 340 O PRO A 25 3.061 -9.436 -0.095 1.00 0.00 O ATOM 341 CB PRO A 25 2.291 -12.642 0.881 1.00 0.00 C ATOM 342 CG PRO A 25 0.911 -12.188 1.210 1.00 0.00 C ATOM 343 CD PRO A 25 1.051 -11.252 2.379 1.00 0.00 C ATOM 0 HA PRO A 25 4.174 -11.721 1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.376 -12.920 -0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.570 -13.518 1.467 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.453 -11.684 0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.271 -13.034 1.462 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.302 -10.460 2.352 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.929 -11.774 3.328 1.00 0.00 H new ATOM 351 N GLU A 26 4.079 -11.212 -1.029 1.00 0.00 N ATOM 352 CA GLU A 26 4.383 -10.520 -2.276 1.00 0.00 C ATOM 353 C GLU A 26 3.255 -10.702 -3.288 1.00 0.00 C ATOM 354 O GLU A 26 2.945 -9.792 -4.058 1.00 0.00 O ATOM 355 CB GLU A 26 5.698 -11.036 -2.864 1.00 0.00 C ATOM 356 CG GLU A 26 6.696 -11.493 -1.814 1.00 0.00 C ATOM 357 CD GLU A 26 6.544 -12.961 -1.464 1.00 0.00 C ATOM 358 OE1 GLU A 26 6.192 -13.751 -2.366 1.00 0.00 O ATOM 359 OE2 GLU A 26 6.776 -13.320 -0.291 1.00 0.00 O ATOM 0 H GLU A 26 4.398 -12.180 -0.995 1.00 0.00 H new ATOM 0 HA GLU A 26 4.484 -9.457 -2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.484 -11.867 -3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.151 -10.248 -3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.708 -11.313 -2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.569 -10.893 -0.913 1.00 0.00 H new ATOM 366 N ASP A 27 2.647 -11.883 -3.281 1.00 0.00 N ATOM 367 CA ASP A 27 1.553 -12.185 -4.197 1.00 0.00 C ATOM 368 C ASP A 27 0.226 -11.669 -3.648 1.00 0.00 C ATOM 369 O ASP A 27 -0.842 -12.139 -4.039 1.00 0.00 O ATOM 370 CB ASP A 27 1.466 -13.692 -4.442 1.00 0.00 C ATOM 371 CG ASP A 27 2.817 -14.373 -4.343 1.00 0.00 C ATOM 372 OD1 ASP A 27 3.607 -14.266 -5.304 1.00 0.00 O ATOM 373 OD2 ASP A 27 3.084 -15.014 -3.305 1.00 0.00 O ATOM 0 H ASP A 27 2.893 -12.647 -2.651 1.00 0.00 H new ATOM 0 HA ASP A 27 1.755 -11.682 -5.143 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.784 -14.136 -3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.043 -13.873 -5.430 1.00 0.00 H new ATOM 378 N GLU A 28 0.303 -10.701 -2.740 1.00 0.00 N ATOM 379 CA GLU A 28 -0.892 -10.123 -2.137 1.00 0.00 C ATOM 380 C GLU A 28 -1.622 -9.224 -3.131 1.00 0.00 C ATOM 381 O GLU A 28 -1.008 -8.634 -4.020 1.00 0.00 O ATOM 382 CB GLU A 28 -0.523 -9.325 -0.885 1.00 0.00 C ATOM 383 CG GLU A 28 -1.673 -9.167 0.096 1.00 0.00 C ATOM 384 CD GLU A 28 -2.246 -10.498 0.542 1.00 0.00 C ATOM 385 OE1 GLU A 28 -1.561 -11.213 1.303 1.00 0.00 O ATOM 386 OE2 GLU A 28 -3.379 -10.825 0.130 1.00 0.00 O ATOM 0 H GLU A 28 1.180 -10.301 -2.406 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.557 -10.939 -1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.308 -9.819 -0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.173 -8.337 -1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.327 -8.614 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.461 -8.573 -0.367 1.00 0.00 H new ATOM 393 N LEU A 29 -2.938 -9.126 -2.973 1.00 0.00 N ATOM 394 CA LEU A 29 -3.754 -8.299 -3.856 1.00 0.00 C ATOM 395 C LEU A 29 -3.786 -6.853 -3.372 1.00 0.00 C ATOM 396 O LEU A 29 -4.058 -6.584 -2.202 1.00 0.00 O ATOM 397 CB LEU A 29 -5.177 -8.854 -3.935 1.00 0.00 C ATOM 398 CG LEU A 29 -5.299 -10.369 -4.101 1.00 0.00 C ATOM 399 CD1 LEU A 29 -6.760 -10.788 -4.123 1.00 0.00 C ATOM 400 CD2 LEU A 29 -4.593 -10.825 -5.370 1.00 0.00 C ATOM 0 H LEU A 29 -3.462 -9.608 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.306 -8.320 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.709 -8.564 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.686 -8.375 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.818 -10.848 -3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.827 -11.869 -4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.236 -10.496 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.266 -10.300 -4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.690 -11.906 -5.472 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.045 -10.337 -6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.537 -10.559 -5.315 1.00 0.00 H new ATOM 412 N VAL A 30 -3.508 -5.924 -4.282 1.00 0.00 N ATOM 413 CA VAL A 30 -3.509 -4.504 -3.949 1.00 0.00 C ATOM 414 C VAL A 30 -4.793 -4.109 -3.229 1.00 0.00 C ATOM 415 O VAL A 30 -4.801 -3.186 -2.415 1.00 0.00 O ATOM 416 CB VAL A 30 -3.350 -3.633 -5.209 1.00 0.00 C ATOM 417 CG1 VAL A 30 -3.375 -2.156 -4.844 1.00 0.00 C ATOM 418 CG2 VAL A 30 -2.065 -3.987 -5.943 1.00 0.00 C ATOM 0 H VAL A 30 -3.279 -6.129 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.659 -4.333 -3.288 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.189 -3.833 -5.875 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.261 -1.556 -5.747 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.324 -1.915 -4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.557 -1.937 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.969 -3.362 -6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.212 -3.817 -5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.092 -5.036 -6.239 1.00 0.00 H new ATOM 428 N SER A 31 -5.877 -4.814 -3.535 1.00 0.00 N ATOM 429 CA SER A 31 -7.170 -4.534 -2.920 1.00 0.00 C ATOM 430 C SER A 31 -7.119 -4.780 -1.415 1.00 0.00 C ATOM 431 O SER A 31 -7.639 -3.991 -0.626 1.00 0.00 O ATOM 432 CB SER A 31 -8.259 -5.401 -3.554 1.00 0.00 C ATOM 433 OG SER A 31 -9.550 -4.911 -3.238 1.00 0.00 O ATOM 0 H SER A 31 -5.886 -5.583 -4.205 1.00 0.00 H new ATOM 0 HA SER A 31 -7.407 -3.484 -3.092 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.129 -5.420 -4.636 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.161 -6.428 -3.203 1.00 0.00 H new ATOM 0 HG SER A 31 -10.228 -5.482 -3.656 1.00 0.00 H new ATOM 439 N THR A 32 -6.488 -5.883 -1.023 1.00 0.00 N ATOM 440 CA THR A 32 -6.370 -6.236 0.386 1.00 0.00 C ATOM 441 C THR A 32 -5.212 -5.494 1.043 1.00 0.00 C ATOM 442 O THR A 32 -5.253 -5.190 2.236 1.00 0.00 O ATOM 443 CB THR A 32 -6.165 -7.752 0.570 1.00 0.00 C ATOM 444 OG1 THR A 32 -7.262 -8.468 -0.007 1.00 0.00 O ATOM 445 CG2 THR A 32 -6.041 -8.106 2.044 1.00 0.00 C ATOM 0 H THR A 32 -6.051 -6.547 -1.662 1.00 0.00 H new ATOM 0 HA THR A 32 -7.304 -5.943 0.865 1.00 0.00 H new ATOM 0 HB THR A 32 -5.241 -8.035 0.066 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.123 -9.431 0.113 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.897 -9.181 2.149 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.187 -7.582 2.473 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.950 -7.809 2.567 1.00 0.00 H new ATOM 453 N LEU A 33 -4.180 -5.205 0.258 1.00 0.00 N ATOM 454 CA LEU A 33 -3.009 -4.497 0.765 1.00 0.00 C ATOM 455 C LEU A 33 -3.374 -3.081 1.199 1.00 0.00 C ATOM 456 O LEU A 33 -2.748 -2.514 2.095 1.00 0.00 O ATOM 457 CB LEU A 33 -1.916 -4.448 -0.305 1.00 0.00 C ATOM 458 CG LEU A 33 -1.160 -5.754 -0.552 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.649 -5.812 -1.983 1.00 0.00 C ATOM 460 CD2 LEU A 33 -0.010 -5.899 0.434 1.00 0.00 C ATOM 0 H LEU A 33 -4.130 -5.450 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.636 -5.039 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.369 -4.130 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.194 -3.681 -0.024 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.849 -6.585 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.114 -6.748 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.491 -5.755 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.025 -4.974 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.517 -6.834 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.679 -5.063 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.401 -5.904 1.451 1.00 0.00 H new ATOM 472 N LYS A 34 -4.393 -2.516 0.561 1.00 0.00 N ATOM 473 CA LYS A 34 -4.846 -1.168 0.883 1.00 0.00 C ATOM 474 C LYS A 34 -5.816 -1.186 2.060 1.00 0.00 C ATOM 475 O LYS A 34 -5.670 -0.414 3.007 1.00 0.00 O ATOM 476 CB LYS A 34 -5.517 -0.529 -0.335 1.00 0.00 C ATOM 477 CG LYS A 34 -4.589 -0.367 -1.526 1.00 0.00 C ATOM 478 CD LYS A 34 -5.367 -0.218 -2.823 1.00 0.00 C ATOM 479 CE LYS A 34 -4.587 0.586 -3.852 1.00 0.00 C ATOM 480 NZ LYS A 34 -4.831 2.049 -3.712 1.00 0.00 N ATOM 0 H LYS A 34 -4.922 -2.971 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.975 -0.576 1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.371 -1.139 -0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.907 0.449 -0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.955 0.507 -1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.929 -1.231 -1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.595 -1.204 -3.227 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.320 0.272 -2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.522 0.383 -3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.870 0.265 -4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.309 2.560 -4.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.848 2.242 -3.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.506 2.367 -2.777 1.00 0.00 H new ATOM 494 N GLN A 35 -6.803 -2.074 1.994 1.00 0.00 N ATOM 495 CA GLN A 35 -7.796 -2.192 3.055 1.00 0.00 C ATOM 496 C GLN A 35 -7.122 -2.334 4.416 1.00 0.00 C ATOM 497 O GLN A 35 -7.653 -1.885 5.433 1.00 0.00 O ATOM 498 CB GLN A 35 -8.709 -3.392 2.797 1.00 0.00 C ATOM 499 CG GLN A 35 -9.686 -3.177 1.653 1.00 0.00 C ATOM 500 CD GLN A 35 -10.453 -4.436 1.297 1.00 0.00 C ATOM 501 OE1 GLN A 35 -11.519 -4.705 1.852 1.00 0.00 O ATOM 502 NE2 GLN A 35 -9.914 -5.215 0.367 1.00 0.00 N ATOM 0 H GLN A 35 -6.936 -2.722 1.217 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.397 -1.282 3.060 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.094 -4.266 2.580 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.269 -3.614 3.705 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.391 -2.391 1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.141 -2.827 0.776 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.029 -4.954 -0.067 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.385 -6.075 0.086 1.00 0.00 H new ATOM 511 N LEU A 36 -5.952 -2.961 4.429 1.00 0.00 N ATOM 512 CA LEU A 36 -5.205 -3.163 5.666 1.00 0.00 C ATOM 513 C LEU A 36 -4.735 -1.831 6.242 1.00 0.00 C ATOM 514 O LEU A 36 -4.889 -1.569 7.435 1.00 0.00 O ATOM 515 CB LEU A 36 -4.004 -4.076 5.417 1.00 0.00 C ATOM 516 CG LEU A 36 -4.323 -5.546 5.143 1.00 0.00 C ATOM 517 CD1 LEU A 36 -3.135 -6.239 4.494 1.00 0.00 C ATOM 518 CD2 LEU A 36 -4.718 -6.255 6.430 1.00 0.00 C ATOM 0 H LEU A 36 -5.499 -3.339 3.597 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.869 -3.636 6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.444 -3.682 4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.347 -4.023 6.285 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.165 -5.592 4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.381 -7.284 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.898 -5.747 3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.273 -6.183 5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.942 -7.300 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.896 -6.199 7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.600 -5.775 6.854 1.00 0.00 H new ATOM 530 N VAL A 37 -4.163 -0.991 5.386 1.00 0.00 N ATOM 531 CA VAL A 37 -3.673 0.316 5.808 1.00 0.00 C ATOM 532 C VAL A 37 -4.828 1.249 6.157 1.00 0.00 C ATOM 533 O VAL A 37 -4.669 2.182 6.944 1.00 0.00 O ATOM 534 CB VAL A 37 -2.810 0.972 4.714 1.00 0.00 C ATOM 535 CG1 VAL A 37 -2.133 2.225 5.248 1.00 0.00 C ATOM 536 CG2 VAL A 37 -1.781 -0.015 4.184 1.00 0.00 C ATOM 0 H VAL A 37 -4.027 -1.192 4.395 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.060 0.153 6.695 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.460 1.263 3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.528 2.675 4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.891 2.937 5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.495 1.962 6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.180 0.465 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.133 -0.338 4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.291 -0.880 3.761 1.00 0.00 H new ATOM 546 N SER A 38 -5.990 0.990 5.566 1.00 0.00 N ATOM 547 CA SER A 38 -7.171 1.808 5.811 1.00 0.00 C ATOM 548 C SER A 38 -7.516 1.833 7.297 1.00 0.00 C ATOM 549 O SER A 38 -7.943 2.857 7.828 1.00 0.00 O ATOM 550 CB SER A 38 -8.361 1.278 5.009 1.00 0.00 C ATOM 551 OG SER A 38 -9.584 1.553 5.669 1.00 0.00 O ATOM 0 H SER A 38 -6.138 0.220 4.914 1.00 0.00 H new ATOM 0 HA SER A 38 -6.950 2.826 5.489 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.368 1.734 4.019 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.256 0.203 4.864 1.00 0.00 H new ATOM 0 HG SER A 38 -9.803 2.503 5.570 1.00 0.00 H new ATOM 557 N GLU A 39 -7.326 0.697 7.961 1.00 0.00 N ATOM 558 CA GLU A 39 -7.618 0.588 9.386 1.00 0.00 C ATOM 559 C GLU A 39 -6.535 1.272 10.216 1.00 0.00 C ATOM 560 O GLU A 39 -6.812 1.833 11.277 1.00 0.00 O ATOM 561 CB GLU A 39 -7.737 -0.882 9.794 1.00 0.00 C ATOM 562 CG GLU A 39 -9.089 -1.495 9.472 1.00 0.00 C ATOM 563 CD GLU A 39 -9.160 -2.969 9.821 1.00 0.00 C ATOM 564 OE1 GLU A 39 -9.020 -3.303 11.016 1.00 0.00 O ATOM 565 OE2 GLU A 39 -9.355 -3.788 8.899 1.00 0.00 O ATOM 0 H GLU A 39 -6.972 -0.160 7.536 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.568 1.088 9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.959 -1.454 9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.554 -0.969 10.865 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.866 -0.959 10.017 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.298 -1.367 8.410 1.00 0.00 H new ATOM 572 N LYS A 40 -5.301 1.220 9.727 1.00 0.00 N ATOM 573 CA LYS A 40 -4.176 1.833 10.422 1.00 0.00 C ATOM 574 C LYS A 40 -4.315 3.352 10.448 1.00 0.00 C ATOM 575 O LYS A 40 -4.419 3.958 11.516 1.00 0.00 O ATOM 576 CB LYS A 40 -2.859 1.443 9.746 1.00 0.00 C ATOM 577 CG LYS A 40 -2.270 0.144 10.268 1.00 0.00 C ATOM 578 CD LYS A 40 -3.305 -0.968 10.292 1.00 0.00 C ATOM 579 CE LYS A 40 -2.898 -2.088 11.237 1.00 0.00 C ATOM 580 NZ LYS A 40 -3.337 -1.821 12.635 1.00 0.00 N ATOM 0 H LYS A 40 -5.055 0.759 8.851 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.173 1.468 11.449 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.024 1.352 8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.135 2.245 9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.430 -0.153 9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.878 0.299 11.273 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.269 -0.563 10.600 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.434 -1.368 9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.330 -3.028 10.894 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.815 -2.208 11.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.041 -2.607 13.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.904 -0.937 12.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.373 -1.732 12.663 1.00 0.00 H new ATOM 594 N LEU A 41 -4.319 3.962 9.268 1.00 0.00 N ATOM 595 CA LEU A 41 -4.448 5.410 9.156 1.00 0.00 C ATOM 596 C LEU A 41 -5.914 5.831 9.183 1.00 0.00 C ATOM 597 O LEU A 41 -6.232 7.015 9.090 1.00 0.00 O ATOM 598 CB LEU A 41 -3.789 5.902 7.866 1.00 0.00 C ATOM 599 CG LEU A 41 -2.294 5.614 7.723 1.00 0.00 C ATOM 600 CD1 LEU A 41 -1.787 6.080 6.367 1.00 0.00 C ATOM 601 CD2 LEU A 41 -1.512 6.282 8.845 1.00 0.00 C ATOM 0 H LEU A 41 -4.234 3.476 8.375 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.944 5.861 10.010 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.308 5.449 7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.940 6.979 7.793 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.143 4.537 7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.721 5.867 6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.325 5.555 5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.951 7.153 6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.450 6.066 8.727 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.670 7.360 8.807 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.855 5.899 9.806 1.00 0.00 H new ATOM 613 N ASN A 42 -6.802 4.851 9.315 1.00 0.00 N ATOM 614 CA ASN A 42 -8.235 5.120 9.357 1.00 0.00 C ATOM 615 C ASN A 42 -8.686 5.863 8.103 1.00 0.00 C ATOM 616 O ASN A 42 -9.547 6.742 8.165 1.00 0.00 O ATOM 617 CB ASN A 42 -8.586 5.937 10.602 1.00 0.00 C ATOM 618 CG ASN A 42 -9.996 5.669 11.091 1.00 0.00 C ATOM 619 OD1 ASN A 42 -10.308 4.570 11.550 1.00 0.00 O ATOM 620 ND2 ASN A 42 -10.857 6.676 10.993 1.00 0.00 N ATOM 0 H ASN A 42 -6.555 3.865 9.395 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.758 4.164 9.399 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.878 5.704 11.397 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.477 6.998 10.379 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.821 6.555 11.305 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.554 7.570 10.606 1.00 0.00 H new ATOM 627 N VAL A 43 -8.099 5.505 6.966 1.00 0.00 N ATOM 628 CA VAL A 43 -8.441 6.137 5.697 1.00 0.00 C ATOM 629 C VAL A 43 -9.051 5.129 4.728 1.00 0.00 C ATOM 630 O VAL A 43 -8.577 4.002 4.587 1.00 0.00 O ATOM 631 CB VAL A 43 -7.207 6.782 5.040 1.00 0.00 C ATOM 632 CG1 VAL A 43 -7.620 7.646 3.859 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.426 7.597 6.060 1.00 0.00 C ATOM 0 H VAL A 43 -7.384 4.781 6.897 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.173 6.914 5.918 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.559 5.988 4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.734 8.093 3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.132 7.031 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.290 8.435 4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.557 8.046 5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.064 8.383 6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.096 6.946 6.870 1.00 0.00 H new ATOM 643 N PRO A 44 -10.126 5.544 4.043 1.00 0.00 N ATOM 644 CA PRO A 44 -10.824 4.693 3.074 1.00 0.00 C ATOM 645 C PRO A 44 -9.996 4.447 1.817 1.00 0.00 C ATOM 646 O PRO A 44 -9.415 5.374 1.253 1.00 0.00 O ATOM 647 CB PRO A 44 -12.082 5.497 2.736 1.00 0.00 C ATOM 648 CG PRO A 44 -11.710 6.914 3.008 1.00 0.00 C ATOM 649 CD PRO A 44 -10.745 6.875 4.160 1.00 0.00 C ATOM 0 HA PRO A 44 -11.031 3.702 3.477 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.374 5.357 1.695 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.928 5.185 3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.253 7.373 2.131 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.590 7.508 3.256 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.003 7.671 4.090 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.255 6.998 5.115 1.00 0.00 H new ATOM 657 N VAL A 45 -9.946 3.192 1.383 1.00 0.00 N ATOM 658 CA VAL A 45 -9.191 2.824 0.191 1.00 0.00 C ATOM 659 C VAL A 45 -9.568 3.707 -0.993 1.00 0.00 C ATOM 660 O VAL A 45 -8.742 3.981 -1.864 1.00 0.00 O ATOM 661 CB VAL A 45 -9.423 1.349 -0.188 1.00 0.00 C ATOM 662 CG1 VAL A 45 -8.419 0.904 -1.240 1.00 0.00 C ATOM 663 CG2 VAL A 45 -9.343 0.463 1.046 1.00 0.00 C ATOM 0 H VAL A 45 -10.420 2.412 1.839 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.137 2.969 0.427 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.423 1.254 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.598 -0.140 -1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.530 1.520 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.408 1.013 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.509 -0.575 0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.357 0.561 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.105 0.768 1.763 1.00 0.00 H new ATOM 673 N ARG A 46 -10.820 4.151 -1.018 1.00 0.00 N ATOM 674 CA ARG A 46 -11.307 5.003 -2.096 1.00 0.00 C ATOM 675 C ARG A 46 -10.503 6.298 -2.171 1.00 0.00 C ATOM 676 O ARG A 46 -10.277 6.837 -3.254 1.00 0.00 O ATOM 677 CB ARG A 46 -12.790 5.322 -1.892 1.00 0.00 C ATOM 678 CG ARG A 46 -13.705 4.127 -2.107 1.00 0.00 C ATOM 679 CD ARG A 46 -13.955 3.876 -3.585 1.00 0.00 C ATOM 680 NE ARG A 46 -15.136 3.045 -3.807 1.00 0.00 N ATOM 681 CZ ARG A 46 -15.129 1.719 -3.719 1.00 0.00 C ATOM 682 NH1 ARG A 46 -14.008 1.078 -3.416 1.00 0.00 N ATOM 683 NH2 ARG A 46 -16.243 1.033 -3.934 1.00 0.00 N ATOM 0 H ARG A 46 -11.516 3.935 -0.304 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.184 4.464 -3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.935 5.703 -0.881 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.079 6.119 -2.578 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.259 3.240 -1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.655 4.299 -1.600 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.081 4.829 -4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.083 3.391 -4.023 1.00 0.00 H new ATOM 0 HE ARG A 46 -16.014 3.508 -4.042 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.149 1.603 -3.250 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.005 0.060 -3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -17.107 1.523 -4.167 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.236 0.015 -3.866 1.00 0.00 H new ATOM 697 N GLN A 47 -10.075 6.791 -1.013 1.00 0.00 N ATOM 698 CA GLN A 47 -9.298 8.022 -0.948 1.00 0.00 C ATOM 699 C GLN A 47 -7.807 7.733 -1.082 1.00 0.00 C ATOM 700 O GLN A 47 -7.205 7.998 -2.122 1.00 0.00 O ATOM 701 CB GLN A 47 -9.571 8.754 0.367 1.00 0.00 C ATOM 702 CG GLN A 47 -10.907 9.480 0.393 1.00 0.00 C ATOM 703 CD GLN A 47 -10.909 10.665 1.339 1.00 0.00 C ATOM 704 OE1 GLN A 47 -11.447 10.592 2.443 1.00 0.00 O ATOM 705 NE2 GLN A 47 -10.304 11.767 0.909 1.00 0.00 N ATOM 0 H GLN A 47 -10.254 6.356 -0.108 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.602 8.658 -1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.541 8.036 1.186 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.772 9.474 0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.150 9.823 -0.613 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.690 8.782 0.690 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.870 11.784 -0.014 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.273 12.596 1.502 1.00 0.00 H new ATOM 714 N GLN A 48 -7.217 7.188 -0.022 1.00 0.00 N ATOM 715 CA GLN A 48 -5.796 6.863 -0.022 1.00 0.00 C ATOM 716 C GLN A 48 -5.416 6.079 -1.274 1.00 0.00 C ATOM 717 O GLN A 48 -6.110 5.140 -1.664 1.00 0.00 O ATOM 718 CB GLN A 48 -5.435 6.058 1.228 1.00 0.00 C ATOM 719 CG GLN A 48 -5.815 4.589 1.135 1.00 0.00 C ATOM 720 CD GLN A 48 -5.337 3.787 2.329 1.00 0.00 C ATOM 721 OE1 GLN A 48 -4.516 4.256 3.119 1.00 0.00 O ATOM 722 NE2 GLN A 48 -5.848 2.569 2.468 1.00 0.00 N ATOM 0 H GLN A 48 -7.701 6.963 0.847 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.236 7.798 -0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.362 6.137 1.404 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.933 6.500 2.091 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.898 4.502 1.054 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.392 4.165 0.224 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.526 2.220 1.790 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.563 1.983 3.253 1.00 0.00 H new ATOM 731 N ARG A 49 -4.311 6.471 -1.899 1.00 0.00 N ATOM 732 CA ARG A 49 -3.840 5.805 -3.108 1.00 0.00 C ATOM 733 C ARG A 49 -2.395 5.343 -2.946 1.00 0.00 C ATOM 734 O ARG A 49 -1.587 6.011 -2.300 1.00 0.00 O ATOM 735 CB ARG A 49 -3.955 6.744 -4.310 1.00 0.00 C ATOM 736 CG ARG A 49 -3.317 6.194 -5.575 1.00 0.00 C ATOM 737 CD ARG A 49 -3.716 7.005 -6.799 1.00 0.00 C ATOM 738 NE ARG A 49 -3.223 8.378 -6.730 1.00 0.00 N ATOM 739 CZ ARG A 49 -3.431 9.282 -7.681 1.00 0.00 C ATOM 740 NH1 ARG A 49 -4.120 8.960 -8.767 1.00 0.00 N ATOM 741 NH2 ARG A 49 -2.951 10.511 -7.546 1.00 0.00 N ATOM 0 H ARG A 49 -3.725 7.246 -1.589 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.466 4.929 -3.278 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.009 6.946 -4.503 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.488 7.697 -4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.232 6.202 -5.470 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.616 5.155 -5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.325 6.524 -7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.802 7.014 -6.890 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.690 8.658 -5.907 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.492 8.016 -8.874 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.278 9.656 -9.496 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.422 10.763 -6.711 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.111 11.204 -8.277 1.00 0.00 H new ATOM 755 N LEU A 50 -2.077 4.197 -3.537 1.00 0.00 N ATOM 756 CA LEU A 50 -0.729 3.644 -3.459 1.00 0.00 C ATOM 757 C LEU A 50 0.076 3.992 -4.707 1.00 0.00 C ATOM 758 O LEU A 50 -0.462 4.031 -5.815 1.00 0.00 O ATOM 759 CB LEU A 50 -0.788 2.126 -3.284 1.00 0.00 C ATOM 760 CG LEU A 50 -1.525 1.622 -2.042 1.00 0.00 C ATOM 761 CD1 LEU A 50 -1.402 0.110 -1.925 1.00 0.00 C ATOM 762 CD2 LEU A 50 -0.989 2.302 -0.791 1.00 0.00 C ATOM 0 H LEU A 50 -2.734 3.632 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.233 4.084 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.266 1.697 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.232 1.743 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.581 1.873 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.932 -0.230 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.835 -0.360 -2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.350 -0.165 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.525 1.931 0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.074 2.083 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.131 3.380 -0.873 1.00 0.00 H new ATOM 774 N LEU A 51 1.367 4.243 -4.521 1.00 0.00 N ATOM 775 CA LEU A 51 2.248 4.585 -5.633 1.00 0.00 C ATOM 776 C LEU A 51 3.622 3.947 -5.456 1.00 0.00 C ATOM 777 O LEU A 51 4.142 3.868 -4.343 1.00 0.00 O ATOM 778 CB LEU A 51 2.389 6.104 -5.748 1.00 0.00 C ATOM 779 CG LEU A 51 1.262 6.829 -6.484 1.00 0.00 C ATOM 780 CD1 LEU A 51 1.362 8.331 -6.266 1.00 0.00 C ATOM 781 CD2 LEU A 51 1.299 6.501 -7.970 1.00 0.00 C ATOM 0 H LEU A 51 1.827 4.216 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 51 1.804 4.197 -6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.465 6.519 -4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.328 6.324 -6.256 1.00 0.00 H new ATOM 0 HG LEU A 51 0.310 6.486 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.552 8.830 -6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.287 8.550 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.319 8.691 -6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.490 7.025 -8.479 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.255 6.816 -8.388 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.179 5.427 -8.109 1.00 0.00 H new ATOM 793 N PHE A 52 4.205 3.494 -6.561 1.00 0.00 N ATOM 794 CA PHE A 52 5.519 2.864 -6.528 1.00 0.00 C ATOM 795 C PHE A 52 6.436 3.463 -7.591 1.00 0.00 C ATOM 796 O PHE A 52 6.220 3.280 -8.789 1.00 0.00 O ATOM 797 CB PHE A 52 5.390 1.355 -6.742 1.00 0.00 C ATOM 798 CG PHE A 52 6.650 0.596 -6.436 1.00 0.00 C ATOM 799 CD1 PHE A 52 7.088 0.452 -5.129 1.00 0.00 C ATOM 800 CD2 PHE A 52 7.396 0.026 -7.455 1.00 0.00 C ATOM 801 CE1 PHE A 52 8.247 -0.245 -4.845 1.00 0.00 C ATOM 802 CE2 PHE A 52 8.556 -0.672 -7.177 1.00 0.00 C ATOM 803 CZ PHE A 52 8.981 -0.809 -5.870 1.00 0.00 C ATOM 0 H PHE A 52 3.788 3.552 -7.490 1.00 0.00 H new ATOM 0 HA PHE A 52 5.958 3.049 -5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.585 0.975 -6.114 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.104 1.166 -7.777 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.517 0.889 -4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.067 0.128 -8.479 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.579 -0.349 -3.822 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.129 -1.110 -7.981 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.886 -1.356 -5.650 1.00 0.00 H new ATOM 813 N LYS A 53 7.461 4.180 -7.143 1.00 0.00 N ATOM 814 CA LYS A 53 8.413 4.806 -8.053 1.00 0.00 C ATOM 815 C LYS A 53 7.695 5.697 -9.062 1.00 0.00 C ATOM 816 O LYS A 53 8.159 5.874 -10.188 1.00 0.00 O ATOM 817 CB LYS A 53 9.227 3.738 -8.787 1.00 0.00 C ATOM 818 CG LYS A 53 10.220 3.011 -7.897 1.00 0.00 C ATOM 819 CD LYS A 53 10.807 1.795 -8.594 1.00 0.00 C ATOM 820 CE LYS A 53 11.744 1.026 -7.676 1.00 0.00 C ATOM 821 NZ LYS A 53 13.097 1.645 -7.619 1.00 0.00 N ATOM 0 H LYS A 53 7.654 4.342 -6.155 1.00 0.00 H new ATOM 0 HA LYS A 53 9.088 5.426 -7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.544 3.010 -9.225 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.765 4.206 -9.611 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.023 3.692 -7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.726 2.701 -6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.001 1.140 -8.925 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.348 2.111 -9.486 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.319 0.988 -6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.830 -0.003 -8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.706 1.091 -6.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.513 1.658 -8.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.019 2.619 -7.262 1.00 0.00 H new ATOM 835 N GLY A 54 6.562 6.257 -8.650 1.00 0.00 N ATOM 836 CA GLY A 54 5.800 7.123 -9.530 1.00 0.00 C ATOM 837 C GLY A 54 4.858 6.350 -10.432 1.00 0.00 C ATOM 838 O GLY A 54 4.368 6.879 -11.430 1.00 0.00 O ATOM 0 H GLY A 54 6.158 6.126 -7.722 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.226 7.830 -8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.486 7.708 -10.143 1.00 0.00 H new ATOM 842 N LYS A 55 4.605 5.094 -10.082 1.00 0.00 N ATOM 843 CA LYS A 55 3.716 4.245 -10.867 1.00 0.00 C ATOM 844 C LYS A 55 2.389 4.034 -10.145 1.00 0.00 C ATOM 845 O LYS A 55 2.361 3.718 -8.957 1.00 0.00 O ATOM 846 CB LYS A 55 4.380 2.894 -11.142 1.00 0.00 C ATOM 847 CG LYS A 55 3.919 2.242 -12.435 1.00 0.00 C ATOM 848 CD LYS A 55 4.995 1.344 -13.021 1.00 0.00 C ATOM 849 CE LYS A 55 5.006 -0.022 -12.352 1.00 0.00 C ATOM 850 NZ LYS A 55 5.634 -1.059 -13.217 1.00 0.00 N ATOM 0 H LYS A 55 5.003 4.641 -9.259 1.00 0.00 H new ATOM 0 HA LYS A 55 3.518 4.745 -11.815 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.461 3.031 -11.179 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.172 2.220 -10.311 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.018 1.657 -12.248 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.654 3.013 -13.158 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.828 1.225 -14.091 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.970 1.817 -12.901 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.548 0.040 -11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.984 -0.318 -12.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.622 -1.975 -12.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.102 -1.137 -14.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.617 -0.790 -13.423 1.00 0.00 H new ATOM 864 N ALA A 56 1.291 4.210 -10.873 1.00 0.00 N ATOM 865 CA ALA A 56 -0.040 4.035 -10.303 1.00 0.00 C ATOM 866 C ALA A 56 -0.416 2.559 -10.231 1.00 0.00 C ATOM 867 O ALA A 56 -0.442 1.864 -11.248 1.00 0.00 O ATOM 868 CB ALA A 56 -1.068 4.805 -11.118 1.00 0.00 C ATOM 0 H ALA A 56 1.297 4.474 -11.858 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.029 4.430 -9.287 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.057 4.666 -10.681 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.816 5.865 -11.114 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.069 4.437 -12.144 1.00 0.00 H new ATOM 874 N LEU A 57 -0.707 2.086 -9.025 1.00 0.00 N ATOM 875 CA LEU A 57 -1.082 0.691 -8.820 1.00 0.00 C ATOM 876 C LEU A 57 -2.587 0.502 -8.984 1.00 0.00 C ATOM 877 O LEU A 57 -3.379 1.326 -8.529 1.00 0.00 O ATOM 878 CB LEU A 57 -0.647 0.224 -7.429 1.00 0.00 C ATOM 879 CG LEU A 57 0.703 0.749 -6.937 1.00 0.00 C ATOM 880 CD1 LEU A 57 1.009 0.214 -5.547 1.00 0.00 C ATOM 881 CD2 LEU A 57 1.809 0.371 -7.912 1.00 0.00 C ATOM 0 H LEU A 57 -0.691 2.648 -8.174 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.574 0.090 -9.574 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.413 0.520 -6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.613 -0.865 -7.427 1.00 0.00 H new ATOM 0 HG LEU A 57 0.651 1.836 -6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.973 0.598 -5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.231 0.535 -4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.042 -0.875 -5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.762 0.752 -7.546 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.862 -0.714 -7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.596 0.804 -8.889 1.00 0.00 H new ATOM 893 N ALA A 58 -2.973 -0.590 -9.635 1.00 0.00 N ATOM 894 CA ALA A 58 -4.382 -0.890 -9.856 1.00 0.00 C ATOM 895 C ALA A 58 -4.896 -1.896 -8.832 1.00 0.00 C ATOM 896 O ALA A 58 -4.311 -2.963 -8.647 1.00 0.00 O ATOM 897 CB ALA A 58 -4.596 -1.415 -11.268 1.00 0.00 C ATOM 0 H ALA A 58 -2.329 -1.282 -10.019 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.947 0.034 -9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.653 -1.635 -11.418 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.276 -0.662 -11.988 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.013 -2.325 -11.410 1.00 0.00 H new ATOM 903 N ASP A 59 -5.993 -1.548 -8.167 1.00 0.00 N ATOM 904 CA ASP A 59 -6.586 -2.422 -7.161 1.00 0.00 C ATOM 905 C ASP A 59 -6.924 -3.785 -7.757 1.00 0.00 C ATOM 906 O ASP A 59 -7.518 -3.875 -8.831 1.00 0.00 O ATOM 907 CB ASP A 59 -7.846 -1.780 -6.577 1.00 0.00 C ATOM 908 CG ASP A 59 -7.752 -0.268 -6.520 1.00 0.00 C ATOM 909 OD1 ASP A 59 -7.929 0.377 -7.574 1.00 0.00 O ATOM 910 OD2 ASP A 59 -7.501 0.270 -5.421 1.00 0.00 O ATOM 0 H ASP A 59 -6.489 -0.668 -8.306 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.857 -2.565 -6.363 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.708 -2.065 -7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.016 -2.169 -5.573 1.00 0.00 H new ATOM 915 N GLY A 60 -6.541 -4.845 -7.051 1.00 0.00 N ATOM 916 CA GLY A 60 -6.811 -6.189 -7.526 1.00 0.00 C ATOM 917 C GLY A 60 -5.547 -6.935 -7.904 1.00 0.00 C ATOM 918 O GLY A 60 -5.343 -8.077 -7.490 1.00 0.00 O ATOM 0 H GLY A 60 -6.049 -4.796 -6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.340 -6.745 -6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.472 -6.139 -8.391 1.00 0.00 H new ATOM 922 N LYS A 61 -4.696 -6.291 -8.695 1.00 0.00 N ATOM 923 CA LYS A 61 -3.444 -6.899 -9.130 1.00 0.00 C ATOM 924 C LYS A 61 -2.608 -7.340 -7.933 1.00 0.00 C ATOM 925 O LYS A 61 -3.008 -7.156 -6.783 1.00 0.00 O ATOM 926 CB LYS A 61 -2.646 -5.915 -9.989 1.00 0.00 C ATOM 927 CG LYS A 61 -3.258 -5.667 -11.357 1.00 0.00 C ATOM 928 CD LYS A 61 -2.224 -5.155 -12.346 1.00 0.00 C ATOM 929 CE LYS A 61 -2.882 -4.553 -13.578 1.00 0.00 C ATOM 930 NZ LYS A 61 -1.882 -4.204 -14.625 1.00 0.00 N ATOM 0 H LYS A 61 -4.851 -5.347 -9.048 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.685 -7.779 -9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.565 -4.966 -9.459 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.633 -6.296 -10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.696 -6.591 -11.733 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.068 -4.943 -11.268 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.598 -4.405 -11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.569 -5.973 -12.645 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.604 -5.260 -13.986 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.437 -3.659 -13.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.369 -3.797 -15.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.208 -3.510 -14.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.370 -5.061 -14.915 1.00 0.00 H new ATOM 944 N ARG A 62 -1.445 -7.921 -8.211 1.00 0.00 N ATOM 945 CA ARG A 62 -0.553 -8.387 -7.157 1.00 0.00 C ATOM 946 C ARG A 62 0.774 -7.634 -7.195 1.00 0.00 C ATOM 947 O ARG A 62 1.374 -7.466 -8.257 1.00 0.00 O ATOM 948 CB ARG A 62 -0.303 -9.889 -7.298 1.00 0.00 C ATOM 949 CG ARG A 62 -1.577 -10.718 -7.328 1.00 0.00 C ATOM 950 CD ARG A 62 -1.271 -12.207 -7.395 1.00 0.00 C ATOM 951 NE ARG A 62 -2.472 -13.020 -7.225 1.00 0.00 N ATOM 952 CZ ARG A 62 -2.463 -14.348 -7.199 1.00 0.00 C ATOM 953 NH1 ARG A 62 -1.321 -15.009 -7.330 1.00 0.00 N ATOM 954 NH2 ARG A 62 -3.597 -15.018 -7.040 1.00 0.00 N ATOM 0 H ARG A 62 -1.099 -8.080 -9.157 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.033 -8.194 -6.198 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.260 -10.071 -8.213 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.319 -10.225 -6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.171 -10.507 -6.439 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.180 -10.430 -8.189 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.809 -12.439 -8.354 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.547 -12.464 -6.622 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.367 -12.542 -7.120 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.447 -14.498 -7.451 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.317 -16.029 -7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.477 -14.513 -6.938 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.588 -16.038 -7.020 1.00 0.00 H new ATOM 968 N LEU A 63 1.225 -7.182 -6.030 1.00 0.00 N ATOM 969 CA LEU A 63 2.481 -6.446 -5.930 1.00 0.00 C ATOM 970 C LEU A 63 3.611 -7.201 -6.622 1.00 0.00 C ATOM 971 O LEU A 63 4.572 -6.598 -7.101 1.00 0.00 O ATOM 972 CB LEU A 63 2.838 -6.205 -4.462 1.00 0.00 C ATOM 973 CG LEU A 63 2.103 -5.055 -3.773 1.00 0.00 C ATOM 974 CD1 LEU A 63 2.530 -4.943 -2.318 1.00 0.00 C ATOM 975 CD2 LEU A 63 2.355 -3.745 -4.507 1.00 0.00 C ATOM 0 H LEU A 63 0.740 -7.312 -5.142 1.00 0.00 H new ATOM 0 HA LEU A 63 2.351 -5.486 -6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.640 -7.121 -3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.910 -6.017 -4.396 1.00 0.00 H new ATOM 0 HG LEU A 63 1.034 -5.265 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.996 -4.119 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.298 -5.872 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.603 -4.757 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.824 -2.937 -4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.424 -3.530 -4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.998 -3.829 -5.533 1.00 0.00 H new ATOM 987 N SER A 64 3.489 -8.524 -6.673 1.00 0.00 N ATOM 988 CA SER A 64 4.501 -9.362 -7.305 1.00 0.00 C ATOM 989 C SER A 64 4.644 -9.018 -8.785 1.00 0.00 C ATOM 990 O SER A 64 5.741 -9.064 -9.341 1.00 0.00 O ATOM 991 CB SER A 64 4.141 -10.840 -7.146 1.00 0.00 C ATOM 992 OG SER A 64 3.152 -11.228 -8.083 1.00 0.00 O ATOM 0 H SER A 64 2.699 -9.038 -6.284 1.00 0.00 H new ATOM 0 HA SER A 64 5.454 -9.172 -6.812 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.033 -11.451 -7.280 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.779 -11.022 -6.134 1.00 0.00 H new ATOM 0 HG SER A 64 2.941 -12.177 -7.962 1.00 0.00 H new ATOM 998 N ASP A 65 3.527 -8.672 -9.416 1.00 0.00 N ATOM 999 CA ASP A 65 3.526 -8.319 -10.831 1.00 0.00 C ATOM 1000 C ASP A 65 4.198 -6.967 -11.054 1.00 0.00 C ATOM 1001 O ASP A 65 4.813 -6.733 -12.094 1.00 0.00 O ATOM 1002 CB ASP A 65 2.095 -8.285 -11.369 1.00 0.00 C ATOM 1003 CG ASP A 65 2.024 -8.616 -12.847 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.668 -9.601 -13.266 1.00 0.00 O ATOM 1005 OD2 ASP A 65 1.325 -7.891 -13.584 1.00 0.00 O ATOM 0 H ASP A 65 2.611 -8.628 -8.970 1.00 0.00 H new ATOM 0 HA ASP A 65 4.091 -9.079 -11.370 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.483 -8.994 -10.811 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.670 -7.296 -11.200 1.00 0.00 H new ATOM 1010 N TYR A 66 4.075 -6.082 -10.071 1.00 0.00 N ATOM 1011 CA TYR A 66 4.668 -4.753 -10.161 1.00 0.00 C ATOM 1012 C TYR A 66 6.158 -4.798 -9.838 1.00 0.00 C ATOM 1013 O TYR A 66 6.796 -3.761 -9.651 1.00 0.00 O ATOM 1014 CB TYR A 66 3.957 -3.789 -9.210 1.00 0.00 C ATOM 1015 CG TYR A 66 2.574 -3.391 -9.673 1.00 0.00 C ATOM 1016 CD1 TYR A 66 2.402 -2.484 -10.711 1.00 0.00 C ATOM 1017 CD2 TYR A 66 1.439 -3.922 -9.072 1.00 0.00 C ATOM 1018 CE1 TYR A 66 1.140 -2.117 -11.137 1.00 0.00 C ATOM 1019 CE2 TYR A 66 0.173 -3.562 -9.492 1.00 0.00 C ATOM 1020 CZ TYR A 66 0.029 -2.658 -10.525 1.00 0.00 C ATOM 1021 OH TYR A 66 -1.230 -2.296 -10.947 1.00 0.00 O ATOM 0 H TYR A 66 3.570 -6.261 -9.203 1.00 0.00 H new ATOM 0 HA TYR A 66 4.548 -4.398 -11.184 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.882 -4.252 -8.226 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.565 -2.891 -9.095 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.270 -2.058 -11.193 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.549 -4.628 -8.262 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.024 -1.410 -11.945 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.699 -3.985 -9.015 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.204 -2.074 -11.901 1.00 0.00 H new ATOM 1031 N SER A 67 6.708 -6.006 -9.776 1.00 0.00 N ATOM 1032 CA SER A 67 8.122 -6.188 -9.472 1.00 0.00 C ATOM 1033 C SER A 67 8.483 -5.525 -8.147 1.00 0.00 C ATOM 1034 O SER A 67 9.502 -4.842 -8.040 1.00 0.00 O ATOM 1035 CB SER A 67 8.985 -5.611 -10.596 1.00 0.00 C ATOM 1036 OG SER A 67 10.334 -6.025 -10.468 1.00 0.00 O ATOM 0 H SER A 67 6.195 -6.874 -9.932 1.00 0.00 H new ATOM 0 HA SER A 67 8.315 -7.257 -9.387 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.593 -5.932 -11.561 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.932 -4.522 -10.577 1.00 0.00 H new ATOM 0 HG SER A 67 10.695 -5.705 -9.615 1.00 0.00 H new ATOM 1042 N ILE A 68 7.641 -5.732 -7.140 1.00 0.00 N ATOM 1043 CA ILE A 68 7.871 -5.155 -5.821 1.00 0.00 C ATOM 1044 C ILE A 68 8.152 -6.241 -4.788 1.00 0.00 C ATOM 1045 O ILE A 68 7.233 -6.877 -4.274 1.00 0.00 O ATOM 1046 CB ILE A 68 6.666 -4.318 -5.355 1.00 0.00 C ATOM 1047 CG1 ILE A 68 6.471 -3.109 -6.272 1.00 0.00 C ATOM 1048 CG2 ILE A 68 6.857 -3.871 -3.913 1.00 0.00 C ATOM 1049 CD1 ILE A 68 5.148 -2.403 -6.069 1.00 0.00 C ATOM 0 H ILE A 68 6.793 -6.295 -7.212 1.00 0.00 H new ATOM 0 HA ILE A 68 8.742 -4.505 -5.908 1.00 0.00 H new ATOM 0 HB ILE A 68 5.771 -4.937 -5.407 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.282 -2.400 -6.102 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.544 -3.435 -7.310 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.997 -3.280 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.951 -4.746 -3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.760 -3.266 -3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.079 -1.556 -6.752 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.331 -3.097 -6.267 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.080 -2.046 -5.041 1.00 0.00 H new ATOM 1061 N GLY A 69 9.431 -6.448 -4.487 1.00 0.00 N ATOM 1062 CA GLY A 69 9.811 -7.456 -3.515 1.00 0.00 C ATOM 1063 C GLY A 69 9.732 -6.946 -2.090 1.00 0.00 C ATOM 1064 O GLY A 69 9.046 -5.968 -1.795 1.00 0.00 O ATOM 0 H GLY A 69 10.210 -5.935 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.161 -8.324 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.827 -7.791 -3.722 1.00 0.00 H new ATOM 1068 N PRO A 70 10.448 -7.619 -1.176 1.00 0.00 N ATOM 1069 CA PRO A 70 10.472 -7.247 0.241 1.00 0.00 C ATOM 1070 C PRO A 70 11.212 -5.936 0.484 1.00 0.00 C ATOM 1071 O PRO A 70 11.927 -5.445 -0.389 1.00 0.00 O ATOM 1072 CB PRO A 70 11.215 -8.411 0.901 1.00 0.00 C ATOM 1073 CG PRO A 70 12.064 -8.981 -0.182 1.00 0.00 C ATOM 1074 CD PRO A 70 11.289 -8.795 -1.457 1.00 0.00 C ATOM 0 HA PRO A 70 9.469 -7.084 0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.821 -8.069 1.740 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.520 -9.154 1.291 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.026 -8.472 -0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.271 -10.036 -0.001 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.949 -8.623 -2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.687 -9.672 -1.693 1.00 0.00 H new ATOM 1082 N ASN A 71 11.035 -5.373 1.675 1.00 0.00 N ATOM 1083 CA ASN A 71 11.686 -4.118 2.032 1.00 0.00 C ATOM 1084 C ASN A 71 11.392 -3.038 0.995 1.00 0.00 C ATOM 1085 O ASN A 71 12.302 -2.369 0.505 1.00 0.00 O ATOM 1086 CB ASN A 71 13.197 -4.322 2.158 1.00 0.00 C ATOM 1087 CG ASN A 71 13.834 -3.342 3.125 1.00 0.00 C ATOM 1088 OD1 ASN A 71 14.122 -2.200 2.769 1.00 0.00 O ATOM 1089 ND2 ASN A 71 14.057 -3.787 4.356 1.00 0.00 N ATOM 0 H ASN A 71 10.446 -5.766 2.409 1.00 0.00 H new ATOM 0 HA ASN A 71 11.288 -3.791 2.993 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.397 -5.340 2.492 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.659 -4.212 1.177 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.483 -3.174 5.051 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.802 -4.742 4.607 1.00 0.00 H new ATOM 1096 N SER A 72 10.115 -2.874 0.666 1.00 0.00 N ATOM 1097 CA SER A 72 9.700 -1.877 -0.315 1.00 0.00 C ATOM 1098 C SER A 72 8.768 -0.849 0.317 1.00 0.00 C ATOM 1099 O SER A 72 7.727 -1.196 0.876 1.00 0.00 O ATOM 1100 CB SER A 72 9.006 -2.554 -1.498 1.00 0.00 C ATOM 1101 OG SER A 72 9.947 -2.968 -2.473 1.00 0.00 O ATOM 0 H SER A 72 9.350 -3.418 1.064 1.00 0.00 H new ATOM 0 HA SER A 72 10.591 -1.361 -0.673 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.439 -3.416 -1.146 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.291 -1.864 -1.948 1.00 0.00 H new ATOM 0 HG SER A 72 9.930 -3.945 -2.550 1.00 0.00 H new ATOM 1107 N LYS A 73 9.148 0.421 0.224 1.00 0.00 N ATOM 1108 CA LYS A 73 8.347 1.503 0.784 1.00 0.00 C ATOM 1109 C LYS A 73 7.365 2.045 -0.250 1.00 0.00 C ATOM 1110 O LYS A 73 7.766 2.512 -1.317 1.00 0.00 O ATOM 1111 CB LYS A 73 9.254 2.631 1.282 1.00 0.00 C ATOM 1112 CG LYS A 73 9.667 2.483 2.736 1.00 0.00 C ATOM 1113 CD LYS A 73 9.888 3.835 3.394 1.00 0.00 C ATOM 1114 CE LYS A 73 11.332 4.291 3.258 1.00 0.00 C ATOM 1115 NZ LYS A 73 11.443 5.776 3.213 1.00 0.00 N ATOM 0 H LYS A 73 10.007 0.726 -0.234 1.00 0.00 H new ATOM 0 HA LYS A 73 7.779 1.104 1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.149 2.667 0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.739 3.583 1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.898 1.934 3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.582 1.894 2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.228 4.574 2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.622 3.775 4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.914 3.909 4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.763 3.867 2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.443 6.047 3.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.909 6.140 2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.055 6.180 4.089 1.00 0.00 H new ATOM 1129 N LEU A 74 6.078 1.981 0.073 1.00 0.00 N ATOM 1130 CA LEU A 74 5.038 2.466 -0.827 1.00 0.00 C ATOM 1131 C LEU A 74 4.643 3.898 -0.481 1.00 0.00 C ATOM 1132 O LEU A 74 4.733 4.315 0.673 1.00 0.00 O ATOM 1133 CB LEU A 74 3.811 1.556 -0.759 1.00 0.00 C ATOM 1134 CG LEU A 74 3.835 0.327 -1.669 1.00 0.00 C ATOM 1135 CD1 LEU A 74 2.907 -0.752 -1.134 1.00 0.00 C ATOM 1136 CD2 LEU A 74 3.449 0.709 -3.090 1.00 0.00 C ATOM 0 H LEU A 74 5.730 1.598 0.952 1.00 0.00 H new ATOM 0 HA LEU A 74 5.436 2.453 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.690 1.219 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.930 2.149 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 74 4.850 -0.071 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.937 -1.618 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.229 -1.046 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.889 -0.366 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.471 -0.177 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.444 1.132 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.154 1.447 -3.473 1.00 0.00 H new ATOM 1148 N ASN A 75 4.204 4.646 -1.488 1.00 0.00 N ATOM 1149 CA ASN A 75 3.793 6.031 -1.290 1.00 0.00 C ATOM 1150 C ASN A 75 2.274 6.140 -1.200 1.00 0.00 C ATOM 1151 O ASN A 75 1.550 5.574 -2.020 1.00 0.00 O ATOM 1152 CB ASN A 75 4.312 6.907 -2.432 1.00 0.00 C ATOM 1153 CG ASN A 75 5.704 7.445 -2.161 1.00 0.00 C ATOM 1154 OD1 ASN A 75 5.934 8.129 -1.163 1.00 0.00 O ATOM 1155 ND2 ASN A 75 6.640 7.137 -3.050 1.00 0.00 N ATOM 0 H ASN A 75 4.124 4.316 -2.450 1.00 0.00 H new ATOM 0 HA ASN A 75 4.221 6.380 -0.350 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.323 6.327 -3.355 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.627 7.741 -2.587 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.595 7.470 -2.921 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.404 6.567 -3.862 1.00 0.00 H new ATOM 1162 N LEU A 76 1.797 6.873 -0.200 1.00 0.00 N ATOM 1163 CA LEU A 76 0.364 7.058 -0.002 1.00 0.00 C ATOM 1164 C LEU A 76 -0.063 8.467 -0.401 1.00 0.00 C ATOM 1165 O LEU A 76 0.560 9.452 -0.004 1.00 0.00 O ATOM 1166 CB LEU A 76 -0.008 6.794 1.458 1.00 0.00 C ATOM 1167 CG LEU A 76 -1.492 6.555 1.739 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -1.977 5.303 1.024 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.740 6.445 3.237 1.00 0.00 C ATOM 0 H LEU A 76 2.382 7.349 0.487 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.161 6.345 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.551 5.925 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.322 7.644 2.056 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.055 7.407 1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.035 5.150 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.836 5.420 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.408 4.441 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.801 6.275 3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.165 5.612 3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.432 7.369 3.726 1.00 0.00 H new ATOM 1181 N VAL A 77 -1.132 8.556 -1.186 1.00 0.00 N ATOM 1182 CA VAL A 77 -1.646 9.845 -1.635 1.00 0.00 C ATOM 1183 C VAL A 77 -3.095 10.039 -1.206 1.00 0.00 C ATOM 1184 O VAL A 77 -3.893 9.102 -1.231 1.00 0.00 O ATOM 1185 CB VAL A 77 -1.552 9.983 -3.167 1.00 0.00 C ATOM 1186 CG1 VAL A 77 -1.913 11.396 -3.599 1.00 0.00 C ATOM 1187 CG2 VAL A 77 -0.160 9.607 -3.651 1.00 0.00 C ATOM 0 H VAL A 77 -1.659 7.751 -1.524 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.027 10.612 -1.169 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.267 9.297 -3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.841 11.474 -4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.932 11.623 -3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.225 12.104 -3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.111 9.710 -4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.576 10.266 -3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.055 8.575 -3.375 1.00 0.00 H new ATOM 1197 N VAL A 78 -3.431 11.263 -0.812 1.00 0.00 N ATOM 1198 CA VAL A 78 -4.786 11.582 -0.378 1.00 0.00 C ATOM 1199 C VAL A 78 -5.557 12.310 -1.473 1.00 0.00 C ATOM 1200 O VAL A 78 -5.316 13.487 -1.740 1.00 0.00 O ATOM 1201 CB VAL A 78 -4.778 12.452 0.893 1.00 0.00 C ATOM 1202 CG1 VAL A 78 -3.841 13.639 0.723 1.00 0.00 C ATOM 1203 CG2 VAL A 78 -6.187 12.918 1.228 1.00 0.00 C ATOM 0 H VAL A 78 -2.783 12.050 -0.784 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.279 10.635 -0.159 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.412 11.848 1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.849 14.242 1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.829 13.280 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.173 14.247 -0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.163 13.531 2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.583 13.505 0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.826 12.051 1.396 1.00 0.00 H new