USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 648 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 41 THR OG1 : rot -96:sc= 0.771 USER MOD Set 1.2: A 79 MET CE :methyl -149:sc= -1.97 (180deg=-4.56!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.192 K(o=-0.19,f=-0.87) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0457 USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0553) USER MOD Single : A 35 GLN : amide:sc= -0.212 K(o=-0.21,f=-2.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -2.67 K(o=-2.7,f=-5.3!) USER MOD Single : A 49 LYS NZ :NH3+ 158:sc=-0.00398 (180deg=-0.314) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0715) USER MOD Single : A 62 ASN : amide:sc= -2.01! C(o=-2!,f=-6.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -4.94! C(o=-4.9!,f=-7.2!) USER MOD Single : A 75 THR OG1 : rot 146:sc= -1.98! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 179:sc= 0 (180deg=-0.00344) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0396 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 9.193 9.769 -2.494 1.00 0.00 N ATOM 67 CA LEU A 8 8.417 9.358 -1.336 1.00 0.00 C ATOM 68 C LEU A 8 8.391 7.830 -1.260 1.00 0.00 C ATOM 69 O LEU A 8 7.588 7.186 -1.933 1.00 0.00 O ATOM 70 CB LEU A 8 7.027 9.996 -1.369 1.00 0.00 C ATOM 71 CG LEU A 8 6.118 9.685 -0.178 1.00 0.00 C ATOM 72 CD1 LEU A 8 6.455 10.578 1.017 1.00 0.00 C ATOM 73 CD2 LEU A 8 4.643 9.788 -0.573 1.00 0.00 C ATOM 0 HA LEU A 8 8.885 9.715 -0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.147 11.077 -1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.522 9.674 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 8 6.298 8.655 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.794 10.336 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.490 10.412 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.321 11.623 0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.018 9.562 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.429 10.799 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.429 9.077 -1.371 1.00 0.00 H new ATOM 85 N PRO A 9 9.303 7.281 -0.414 1.00 0.00 N ATOM 86 CA PRO A 9 9.392 5.841 -0.242 1.00 0.00 C ATOM 87 C PRO A 9 8.234 5.318 0.611 1.00 0.00 C ATOM 88 O PRO A 9 7.925 5.884 1.658 1.00 0.00 O ATOM 89 CB PRO A 9 10.752 5.604 0.394 1.00 0.00 C ATOM 90 CG PRO A 9 11.177 6.941 0.979 1.00 0.00 C ATOM 91 CD PRO A 9 10.270 8.013 0.399 1.00 0.00 C ATOM 0 HA PRO A 9 9.308 5.299 -1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.693 4.840 1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.473 5.254 -0.345 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.100 6.924 2.066 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.219 7.150 0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.775 8.582 1.186 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.834 8.726 -0.203 1.00 0.00 H new ATOM 99 N ILE A 10 7.625 4.244 0.130 1.00 0.00 N ATOM 100 CA ILE A 10 6.508 3.639 0.835 1.00 0.00 C ATOM 101 C ILE A 10 6.816 2.164 1.099 1.00 0.00 C ATOM 102 O ILE A 10 6.888 1.364 0.167 1.00 0.00 O ATOM 103 CB ILE A 10 5.204 3.866 0.068 1.00 0.00 C ATOM 104 CG1 ILE A 10 4.779 5.335 0.131 1.00 0.00 C ATOM 105 CG2 ILE A 10 4.103 2.929 0.568 1.00 0.00 C ATOM 106 CD1 ILE A 10 3.731 5.650 -0.938 1.00 0.00 C ATOM 0 H ILE A 10 7.884 3.777 -0.739 1.00 0.00 H new ATOM 0 HA ILE A 10 6.368 4.115 1.805 1.00 0.00 H new ATOM 0 HB ILE A 10 5.379 3.626 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.375 5.558 1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.650 5.975 -0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.187 3.111 0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.415 1.894 0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.922 3.113 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.447 6.700 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.147 5.449 -1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.852 5.025 -0.781 1.00 0.00 H new ATOM 118 N ILE A 11 6.991 1.848 2.374 1.00 0.00 N ATOM 119 CA ILE A 11 7.290 0.483 2.773 1.00 0.00 C ATOM 120 C ILE A 11 5.981 -0.266 3.032 1.00 0.00 C ATOM 121 O ILE A 11 5.084 0.255 3.692 1.00 0.00 O ATOM 122 CB ILE A 11 8.252 0.471 3.963 1.00 0.00 C ATOM 123 CG1 ILE A 11 9.604 1.076 3.580 1.00 0.00 C ATOM 124 CG2 ILE A 11 8.397 -0.939 4.537 1.00 0.00 C ATOM 125 CD1 ILE A 11 10.432 1.400 4.826 1.00 0.00 C ATOM 0 H ILE A 11 6.931 2.514 3.144 1.00 0.00 H new ATOM 0 HA ILE A 11 7.806 -0.044 1.971 1.00 0.00 H new ATOM 0 HB ILE A 11 7.830 1.096 4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.152 0.379 2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.448 1.983 2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.086 -0.919 5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.424 -1.298 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.785 -1.607 3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.388 1.829 4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.892 2.116 5.446 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.606 0.487 5.395 1.00 0.00 H new ATOM 137 N VAL A 12 5.915 -1.477 2.500 1.00 0.00 N ATOM 138 CA VAL A 12 4.731 -2.304 2.665 1.00 0.00 C ATOM 139 C VAL A 12 5.099 -3.562 3.454 1.00 0.00 C ATOM 140 O VAL A 12 5.803 -4.434 2.945 1.00 0.00 O ATOM 141 CB VAL A 12 4.113 -2.613 1.300 1.00 0.00 C ATOM 142 CG1 VAL A 12 2.747 -3.284 1.456 1.00 0.00 C ATOM 143 CG2 VAL A 12 4.008 -1.347 0.447 1.00 0.00 C ATOM 0 H VAL A 12 6.662 -1.906 1.954 1.00 0.00 H new ATOM 0 HA VAL A 12 3.971 -1.772 3.237 1.00 0.00 H new ATOM 0 HB VAL A 12 4.772 -3.311 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.330 -3.493 0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.861 -4.217 2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.076 -2.620 2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.566 -1.594 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.381 -0.616 0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.003 -0.928 0.294 1.00 0.00 H new ATOM 153 N LYS A 13 4.607 -3.617 4.683 1.00 0.00 N ATOM 154 CA LYS A 13 4.876 -4.755 5.546 1.00 0.00 C ATOM 155 C LYS A 13 3.788 -5.811 5.344 1.00 0.00 C ATOM 156 O LYS A 13 2.648 -5.622 5.766 1.00 0.00 O ATOM 157 CB LYS A 13 5.029 -4.300 6.999 1.00 0.00 C ATOM 158 CG LYS A 13 4.958 -5.491 7.957 1.00 0.00 C ATOM 159 CD LYS A 13 6.196 -5.548 8.854 1.00 0.00 C ATOM 160 CE LYS A 13 6.042 -4.619 10.060 1.00 0.00 C ATOM 161 NZ LYS A 13 6.954 -5.030 11.150 1.00 0.00 N ATOM 0 H LYS A 13 4.024 -2.892 5.102 1.00 0.00 H new ATOM 0 HA LYS A 13 5.825 -5.220 5.279 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.981 -3.784 7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.244 -3.584 7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.062 -5.414 8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.875 -6.416 7.387 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.355 -6.571 9.196 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.078 -5.263 8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.258 -3.592 9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.011 -4.640 10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.837 -4.389 11.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.730 -6.003 11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.937 -4.987 10.814 1.00 0.00 H new ATOM 175 N TRP A 14 4.178 -6.900 4.698 1.00 0.00 N ATOM 176 CA TRP A 14 3.250 -7.987 4.435 1.00 0.00 C ATOM 177 C TRP A 14 3.731 -9.217 5.207 1.00 0.00 C ATOM 178 O TRP A 14 4.760 -9.801 4.872 1.00 0.00 O ATOM 179 CB TRP A 14 3.113 -8.239 2.932 1.00 0.00 C ATOM 180 CG TRP A 14 2.185 -9.403 2.578 1.00 0.00 C ATOM 181 CD1 TRP A 14 1.070 -9.791 3.212 1.00 0.00 C ATOM 182 CD2 TRP A 14 2.339 -10.321 1.475 1.00 0.00 C ATOM 183 NE1 TRP A 14 0.496 -10.886 2.600 1.00 0.00 N ATOM 184 CE2 TRP A 14 1.292 -11.219 1.510 1.00 0.00 C ATOM 185 CE3 TRP A 14 3.330 -10.389 0.480 1.00 0.00 C ATOM 186 CZ2 TRP A 14 1.135 -12.250 0.577 1.00 0.00 C ATOM 187 CZ3 TRP A 14 3.159 -11.426 -0.445 1.00 0.00 C ATOM 188 CH2 TRP A 14 2.111 -12.338 -0.424 1.00 0.00 C ATOM 0 H TRP A 14 5.124 -7.053 4.349 1.00 0.00 H new ATOM 0 HA TRP A 14 2.248 -7.731 4.779 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.740 -7.333 2.455 1.00 0.00 H new ATOM 0 HB3 TRP A 14 4.101 -8.436 2.515 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.671 -9.307 4.091 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -0.356 -11.364 2.893 1.00 0.00 H new ATOM 0 HE3 TRP A 14 4.157 -9.696 0.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 0.306 -12.941 0.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.894 -11.524 -1.230 1.00 0.00 H new ATOM 0 HH2 TRP A 14 2.049 -13.111 -1.176 1.00 0.00 H new ATOM 199 N GLY A 15 2.963 -9.574 6.226 1.00 0.00 N ATOM 200 CA GLY A 15 3.298 -10.724 7.048 1.00 0.00 C ATOM 201 C GLY A 15 4.696 -10.577 7.653 1.00 0.00 C ATOM 202 O GLY A 15 4.887 -9.827 8.608 1.00 0.00 O ATOM 0 H GLY A 15 2.110 -9.087 6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.562 -10.832 7.845 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.252 -11.632 6.446 1.00 0.00 H new ATOM 206 N GLY A 16 5.637 -11.306 7.071 1.00 0.00 N ATOM 207 CA GLY A 16 7.012 -11.267 7.540 1.00 0.00 C ATOM 208 C GLY A 16 7.936 -10.662 6.481 1.00 0.00 C ATOM 209 O GLY A 16 9.126 -10.471 6.726 1.00 0.00 O ATOM 0 H GLY A 16 5.474 -11.927 6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.071 -10.680 8.457 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.345 -12.276 7.785 1.00 0.00 H new ATOM 213 N GLN A 17 7.353 -10.379 5.326 1.00 0.00 N ATOM 214 CA GLN A 17 8.109 -9.800 4.228 1.00 0.00 C ATOM 215 C GLN A 17 7.650 -8.364 3.966 1.00 0.00 C ATOM 216 O GLN A 17 6.454 -8.103 3.845 1.00 0.00 O ATOM 217 CB GLN A 17 7.983 -10.654 2.965 1.00 0.00 C ATOM 218 CG GLN A 17 8.633 -12.025 3.164 1.00 0.00 C ATOM 219 CD GLN A 17 7.650 -13.151 2.836 1.00 0.00 C ATOM 220 OE1 GLN A 17 6.456 -13.054 3.067 1.00 0.00 O ATOM 221 NE2 GLN A 17 8.218 -14.221 2.287 1.00 0.00 N ATOM 0 H GLN A 17 6.366 -10.540 5.126 1.00 0.00 H new ATOM 0 HA GLN A 17 9.162 -9.779 4.510 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.931 -10.780 2.710 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.455 -10.142 2.127 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.514 -12.110 2.528 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.974 -12.124 4.195 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.224 -14.236 2.121 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.647 -15.027 2.032 1.00 0.00 H new ATOM 230 N GLU A 18 8.625 -7.470 3.887 1.00 0.00 N ATOM 231 CA GLU A 18 8.336 -6.067 3.642 1.00 0.00 C ATOM 232 C GLU A 18 8.879 -5.644 2.276 1.00 0.00 C ATOM 233 O GLU A 18 9.908 -6.150 1.830 1.00 0.00 O ATOM 234 CB GLU A 18 8.907 -5.187 4.756 1.00 0.00 C ATOM 235 CG GLU A 18 8.302 -5.558 6.111 1.00 0.00 C ATOM 236 CD GLU A 18 9.352 -5.476 7.221 1.00 0.00 C ATOM 237 OE1 GLU A 18 10.028 -6.504 7.440 1.00 0.00 O ATOM 238 OE2 GLU A 18 9.456 -4.386 7.825 1.00 0.00 O ATOM 0 H GLU A 18 9.616 -7.690 3.988 1.00 0.00 H new ATOM 0 HA GLU A 18 7.254 -5.934 3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.990 -5.300 4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.703 -4.139 4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.473 -4.888 6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.893 -6.567 6.066 1.00 0.00 H new ATOM 245 N TYR A 19 8.164 -4.721 1.650 1.00 0.00 N ATOM 246 CA TYR A 19 8.562 -4.225 0.344 1.00 0.00 C ATOM 247 C TYR A 19 8.855 -2.724 0.394 1.00 0.00 C ATOM 248 O TYR A 19 8.235 -1.992 1.164 1.00 0.00 O ATOM 249 CB TYR A 19 7.368 -4.468 -0.582 1.00 0.00 C ATOM 250 CG TYR A 19 7.122 -5.943 -0.905 1.00 0.00 C ATOM 251 CD1 TYR A 19 6.753 -6.817 0.097 1.00 0.00 C ATOM 252 CD2 TYR A 19 7.269 -6.400 -2.199 1.00 0.00 C ATOM 253 CE1 TYR A 19 6.521 -8.205 -0.207 1.00 0.00 C ATOM 254 CE2 TYR A 19 7.037 -7.788 -2.503 1.00 0.00 C ATOM 255 CZ TYR A 19 6.675 -8.622 -1.493 1.00 0.00 C ATOM 256 OH TYR A 19 6.456 -9.933 -1.780 1.00 0.00 O ATOM 0 H TYR A 19 7.311 -4.304 2.023 1.00 0.00 H new ATOM 0 HA TYR A 19 9.466 -4.729 0.002 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.472 -4.054 -0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.527 -3.924 -1.513 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.638 -6.460 1.110 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.558 -5.716 -2.984 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.231 -8.899 0.568 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.148 -8.158 -3.511 1.00 0.00 H new ATOM 0 HH TYR A 19 6.602 -10.087 -2.737 1.00 0.00 H new ATOM 266 N SER A 20 9.801 -2.310 -0.437 1.00 0.00 N ATOM 267 CA SER A 20 10.184 -0.910 -0.497 1.00 0.00 C ATOM 268 C SER A 20 9.684 -0.286 -1.802 1.00 0.00 C ATOM 269 O SER A 20 10.158 -0.634 -2.882 1.00 0.00 O ATOM 270 CB SER A 20 11.701 -0.748 -0.379 1.00 0.00 C ATOM 271 OG SER A 20 12.153 -0.918 0.962 1.00 0.00 O ATOM 0 H SER A 20 10.313 -2.920 -1.074 1.00 0.00 H new ATOM 0 HA SER A 20 9.724 -0.394 0.345 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.195 -1.476 -1.023 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.989 0.241 -0.736 1.00 0.00 H new ATOM 0 HG SER A 20 13.126 -0.809 0.995 1.00 0.00 H new ATOM 277 N VAL A 21 8.733 0.625 -1.658 1.00 0.00 N ATOM 278 CA VAL A 21 8.164 1.301 -2.812 1.00 0.00 C ATOM 279 C VAL A 21 8.893 2.628 -3.031 1.00 0.00 C ATOM 280 O VAL A 21 8.892 3.493 -2.157 1.00 0.00 O ATOM 281 CB VAL A 21 6.655 1.471 -2.626 1.00 0.00 C ATOM 282 CG1 VAL A 21 6.003 2.011 -3.901 1.00 0.00 C ATOM 283 CG2 VAL A 21 6.003 0.157 -2.192 1.00 0.00 C ATOM 0 H VAL A 21 8.342 0.911 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 21 8.302 0.702 -3.712 1.00 0.00 H new ATOM 0 HB VAL A 21 6.496 2.201 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.930 2.123 -3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.436 2.980 -4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.178 1.315 -4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.931 0.307 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.177 -0.604 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.436 -0.169 -1.247 1.00 0.00 H new ATOM 293 N THR A 22 9.498 2.747 -4.204 1.00 0.00 N ATOM 294 CA THR A 22 10.229 3.954 -4.550 1.00 0.00 C ATOM 295 C THR A 22 10.187 4.189 -6.061 1.00 0.00 C ATOM 296 O THR A 22 11.146 4.696 -6.641 1.00 0.00 O ATOM 297 CB THR A 22 11.649 3.822 -3.995 1.00 0.00 C ATOM 298 OG1 THR A 22 12.133 2.609 -4.565 1.00 0.00 O ATOM 299 CG2 THR A 22 11.666 3.558 -2.488 1.00 0.00 C ATOM 0 H THR A 22 9.497 2.027 -4.927 1.00 0.00 H new ATOM 0 HA THR A 22 9.770 4.836 -4.103 1.00 0.00 H new ATOM 0 HB THR A 22 12.209 4.732 -4.211 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.050 2.447 -4.259 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.697 3.473 -2.145 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.178 4.383 -1.969 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.135 2.630 -2.275 1.00 0.00 H new ATOM 307 N THR A 23 9.065 3.809 -6.655 1.00 0.00 N ATOM 308 CA THR A 23 8.885 3.972 -8.088 1.00 0.00 C ATOM 309 C THR A 23 7.828 5.040 -8.374 1.00 0.00 C ATOM 310 O THR A 23 8.005 5.870 -9.265 1.00 0.00 O ATOM 311 CB THR A 23 8.542 2.604 -8.680 1.00 0.00 C ATOM 312 OG1 THR A 23 9.670 1.794 -8.358 1.00 0.00 O ATOM 313 CG2 THR A 23 8.517 2.617 -10.210 1.00 0.00 C ATOM 0 H THR A 23 8.272 3.389 -6.170 1.00 0.00 H new ATOM 0 HA THR A 23 9.799 4.328 -8.564 1.00 0.00 H new ATOM 0 HB THR A 23 7.572 2.279 -8.304 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.531 0.888 -8.704 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.269 1.622 -10.578 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.768 3.329 -10.556 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.497 2.909 -10.587 1.00 0.00 H new ATOM 321 N LEU A 24 6.753 4.985 -7.602 1.00 0.00 N ATOM 322 CA LEU A 24 5.667 5.938 -7.762 1.00 0.00 C ATOM 323 C LEU A 24 5.874 7.107 -6.796 1.00 0.00 C ATOM 324 O LEU A 24 6.655 7.005 -5.852 1.00 0.00 O ATOM 325 CB LEU A 24 4.315 5.241 -7.603 1.00 0.00 C ATOM 326 CG LEU A 24 4.234 4.175 -6.508 1.00 0.00 C ATOM 327 CD1 LEU A 24 2.866 4.195 -5.823 1.00 0.00 C ATOM 328 CD2 LEU A 24 4.578 2.791 -7.063 1.00 0.00 C ATOM 0 H LEU A 24 6.610 4.296 -6.864 1.00 0.00 H new ATOM 0 HA LEU A 24 5.669 6.353 -8.770 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.559 6.000 -7.400 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.054 4.777 -8.554 1.00 0.00 H new ATOM 0 HG LEU A 24 4.978 4.410 -5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.835 3.428 -5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.700 5.173 -5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.087 3.998 -6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.513 2.052 -6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.876 2.532 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.591 2.802 -7.465 1.00 0.00 H new ATOM 340 N SER A 25 5.160 8.190 -7.067 1.00 0.00 N ATOM 341 CA SER A 25 5.256 9.376 -6.234 1.00 0.00 C ATOM 342 C SER A 25 3.869 9.994 -6.043 1.00 0.00 C ATOM 343 O SER A 25 2.869 9.437 -6.494 1.00 0.00 O ATOM 344 CB SER A 25 6.214 10.401 -6.844 1.00 0.00 C ATOM 345 OG SER A 25 5.859 10.733 -8.183 1.00 0.00 O ATOM 0 H SER A 25 4.513 8.271 -7.851 1.00 0.00 H new ATOM 0 HA SER A 25 5.653 9.081 -5.263 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.214 11.305 -6.234 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.229 10.004 -6.826 1.00 0.00 H new ATOM 0 HG SER A 25 6.494 11.391 -8.536 1.00 0.00 H new ATOM 351 N GLU A 26 3.853 11.137 -5.374 1.00 0.00 N ATOM 352 CA GLU A 26 2.605 11.837 -5.117 1.00 0.00 C ATOM 353 C GLU A 26 1.745 11.868 -6.382 1.00 0.00 C ATOM 354 O GLU A 26 0.554 11.565 -6.334 1.00 0.00 O ATOM 355 CB GLU A 26 2.867 13.252 -4.597 1.00 0.00 C ATOM 356 CG GLU A 26 3.613 13.216 -3.262 1.00 0.00 C ATOM 357 CD GLU A 26 4.926 13.997 -3.346 1.00 0.00 C ATOM 358 OE1 GLU A 26 5.701 13.705 -4.283 1.00 0.00 O ATOM 359 OE2 GLU A 26 5.126 14.867 -2.472 1.00 0.00 O ATOM 0 H GLU A 26 4.684 11.596 -5.002 1.00 0.00 H new ATOM 0 HA GLU A 26 2.060 11.297 -4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.451 13.810 -5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.921 13.779 -4.475 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.984 13.638 -2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.818 12.182 -2.984 1.00 0.00 H new ATOM 366 N ASP A 27 2.381 12.238 -7.483 1.00 0.00 N ATOM 367 CA ASP A 27 1.689 12.313 -8.758 1.00 0.00 C ATOM 368 C ASP A 27 0.860 11.043 -8.959 1.00 0.00 C ATOM 369 O ASP A 27 -0.338 11.115 -9.228 1.00 0.00 O ATOM 370 CB ASP A 27 2.681 12.420 -9.918 1.00 0.00 C ATOM 371 CG ASP A 27 3.107 13.845 -10.277 1.00 0.00 C ATOM 372 OD1 ASP A 27 2.767 14.754 -9.489 1.00 0.00 O ATOM 373 OD2 ASP A 27 3.763 13.993 -11.330 1.00 0.00 O ATOM 0 H ASP A 27 3.369 12.489 -7.519 1.00 0.00 H new ATOM 0 HA ASP A 27 1.053 13.198 -8.745 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.571 11.843 -9.669 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.237 11.957 -10.799 1.00 0.00 H new ATOM 378 N ASP A 28 1.532 9.909 -8.822 1.00 0.00 N ATOM 379 CA ASP A 28 0.873 8.624 -8.985 1.00 0.00 C ATOM 380 C ASP A 28 -0.298 8.529 -8.005 1.00 0.00 C ATOM 381 O ASP A 28 -0.230 9.058 -6.896 1.00 0.00 O ATOM 382 CB ASP A 28 1.833 7.471 -8.688 1.00 0.00 C ATOM 383 CG ASP A 28 3.037 7.374 -9.626 1.00 0.00 C ATOM 384 OD1 ASP A 28 3.788 8.372 -9.692 1.00 0.00 O ATOM 385 OD2 ASP A 28 3.181 6.305 -10.257 1.00 0.00 O ATOM 0 H ASP A 28 2.526 9.853 -8.600 1.00 0.00 H new ATOM 0 HA ASP A 28 0.529 8.550 -10.017 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.196 7.574 -7.665 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.278 6.534 -8.736 1.00 0.00 H new ATOM 390 N THR A 29 -1.346 7.850 -8.449 1.00 0.00 N ATOM 391 CA THR A 29 -2.530 7.679 -7.625 1.00 0.00 C ATOM 392 C THR A 29 -2.444 6.373 -6.832 1.00 0.00 C ATOM 393 O THR A 29 -1.655 5.490 -7.167 1.00 0.00 O ATOM 394 CB THR A 29 -3.756 7.756 -8.537 1.00 0.00 C ATOM 395 OG1 THR A 29 -3.665 9.047 -9.132 1.00 0.00 O ATOM 396 CG2 THR A 29 -5.069 7.799 -7.751 1.00 0.00 C ATOM 0 H THR A 29 -1.399 7.412 -9.369 1.00 0.00 H new ATOM 0 HA THR A 29 -2.611 8.470 -6.880 1.00 0.00 H new ATOM 0 HB THR A 29 -3.763 6.898 -9.209 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.421 9.181 -9.741 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.907 7.853 -8.446 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.159 6.899 -7.143 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.077 8.676 -7.104 1.00 0.00 H new ATOM 404 N VAL A 30 -3.266 6.291 -5.796 1.00 0.00 N ATOM 405 CA VAL A 30 -3.292 5.108 -4.953 1.00 0.00 C ATOM 406 C VAL A 30 -3.402 3.862 -5.834 1.00 0.00 C ATOM 407 O VAL A 30 -2.730 2.861 -5.586 1.00 0.00 O ATOM 408 CB VAL A 30 -4.425 5.219 -3.931 1.00 0.00 C ATOM 409 CG1 VAL A 30 -4.527 3.948 -3.086 1.00 0.00 C ATOM 410 CG2 VAL A 30 -4.246 6.453 -3.045 1.00 0.00 C ATOM 0 H VAL A 30 -3.919 7.025 -5.521 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.366 5.024 -4.384 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.360 5.333 -4.479 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.340 4.053 -2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.724 3.095 -3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.590 3.789 -2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.065 6.508 -2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.299 6.382 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.246 7.349 -3.665 1.00 0.00 H new ATOM 420 N LEU A 31 -4.253 3.963 -6.844 1.00 0.00 N ATOM 421 CA LEU A 31 -4.459 2.857 -7.763 1.00 0.00 C ATOM 422 C LEU A 31 -3.102 2.275 -8.166 1.00 0.00 C ATOM 423 O LEU A 31 -2.893 1.066 -8.086 1.00 0.00 O ATOM 424 CB LEU A 31 -5.316 3.299 -8.951 1.00 0.00 C ATOM 425 CG LEU A 31 -5.702 2.202 -9.945 1.00 0.00 C ATOM 426 CD1 LEU A 31 -6.260 0.976 -9.219 1.00 0.00 C ATOM 427 CD2 LEU A 31 -6.673 2.735 -11.000 1.00 0.00 C ATOM 0 H LEU A 31 -4.808 4.794 -7.046 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.018 2.057 -7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.230 3.751 -8.566 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.778 4.078 -9.491 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.801 1.883 -10.469 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.527 0.211 -9.948 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.505 0.581 -8.539 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.146 1.261 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.931 1.935 -11.694 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.577 3.098 -10.512 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.203 3.552 -11.547 1.00 0.00 H new ATOM 439 N ASP A 32 -2.216 3.164 -8.592 1.00 0.00 N ATOM 440 CA ASP A 32 -0.886 2.754 -9.008 1.00 0.00 C ATOM 441 C ASP A 32 -0.282 1.839 -7.941 1.00 0.00 C ATOM 442 O ASP A 32 0.058 0.691 -8.222 1.00 0.00 O ATOM 443 CB ASP A 32 0.037 3.963 -9.171 1.00 0.00 C ATOM 444 CG ASP A 32 0.707 4.084 -10.542 1.00 0.00 C ATOM 445 OD1 ASP A 32 0.962 3.020 -11.145 1.00 0.00 O ATOM 446 OD2 ASP A 32 0.949 5.239 -10.954 1.00 0.00 O ATOM 0 H ASP A 32 -2.394 4.166 -8.658 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.976 2.237 -9.963 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.539 4.869 -8.983 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.813 3.915 -8.407 1.00 0.00 H new ATOM 451 N LEU A 33 -0.167 2.381 -6.737 1.00 0.00 N ATOM 452 CA LEU A 33 0.390 1.628 -5.627 1.00 0.00 C ATOM 453 C LEU A 33 -0.274 0.251 -5.566 1.00 0.00 C ATOM 454 O LEU A 33 0.404 -0.773 -5.643 1.00 0.00 O ATOM 455 CB LEU A 33 0.272 2.425 -4.326 1.00 0.00 C ATOM 456 CG LEU A 33 1.119 1.926 -3.154 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.533 2.506 -3.213 1.00 0.00 C ATOM 458 CD2 LEU A 33 0.434 2.220 -1.818 1.00 0.00 C ATOM 0 H LEU A 33 -0.450 3.333 -6.506 1.00 0.00 H new ATOM 0 HA LEU A 33 1.457 1.462 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.546 3.460 -4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.774 2.427 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 33 1.212 0.843 -3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.114 2.135 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.012 2.203 -4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.482 3.594 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.057 1.855 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.290 3.295 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.534 1.719 -1.787 1.00 0.00 H new ATOM 470 N LYS A 34 -1.591 0.270 -5.430 1.00 0.00 N ATOM 471 CA LYS A 34 -2.354 -0.965 -5.358 1.00 0.00 C ATOM 472 C LYS A 34 -1.969 -1.866 -6.533 1.00 0.00 C ATOM 473 O LYS A 34 -1.478 -2.976 -6.334 1.00 0.00 O ATOM 474 CB LYS A 34 -3.852 -0.665 -5.278 1.00 0.00 C ATOM 475 CG LYS A 34 -4.183 0.149 -4.025 1.00 0.00 C ATOM 476 CD LYS A 34 -5.625 0.658 -4.067 1.00 0.00 C ATOM 477 CE LYS A 34 -6.309 0.477 -2.710 1.00 0.00 C ATOM 478 NZ LYS A 34 -7.545 1.288 -2.641 1.00 0.00 N ATOM 0 H LYS A 34 -2.150 1.121 -5.368 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.112 -1.510 -4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.164 -0.115 -6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.413 -1.599 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.037 -0.467 -3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.498 0.993 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.635 1.712 -4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.182 0.120 -4.834 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.548 -0.575 -2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.629 0.771 -1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.148 0.937 -1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.298 2.282 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.059 1.215 -3.542 1.00 0.00 H new ATOM 492 N GLN A 35 -2.207 -1.355 -7.732 1.00 0.00 N ATOM 493 CA GLN A 35 -1.891 -2.100 -8.939 1.00 0.00 C ATOM 494 C GLN A 35 -0.455 -2.624 -8.879 1.00 0.00 C ATOM 495 O GLN A 35 -0.180 -3.742 -9.312 1.00 0.00 O ATOM 496 CB GLN A 35 -2.110 -1.241 -10.186 1.00 0.00 C ATOM 497 CG GLN A 35 -3.592 -1.183 -10.560 1.00 0.00 C ATOM 498 CD GLN A 35 -3.778 -1.232 -12.078 1.00 0.00 C ATOM 499 OE1 GLN A 35 -2.829 -1.228 -12.845 1.00 0.00 O ATOM 500 NE2 GLN A 35 -5.049 -1.277 -12.466 1.00 0.00 N ATOM 0 H GLN A 35 -2.615 -0.434 -7.894 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.566 -2.954 -9.003 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.737 -0.233 -10.007 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.537 -1.650 -11.018 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.120 -2.018 -10.098 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.035 -0.268 -10.165 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.795 -1.278 -11.770 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.278 -1.311 -13.459 1.00 0.00 H new ATOM 509 N PHE A 36 0.423 -1.792 -8.338 1.00 0.00 N ATOM 510 CA PHE A 36 1.824 -2.157 -8.216 1.00 0.00 C ATOM 511 C PHE A 36 2.028 -3.177 -7.093 1.00 0.00 C ATOM 512 O PHE A 36 2.956 -3.983 -7.144 1.00 0.00 O ATOM 513 CB PHE A 36 2.591 -0.879 -7.873 1.00 0.00 C ATOM 514 CG PHE A 36 4.082 -0.938 -8.213 1.00 0.00 C ATOM 515 CD1 PHE A 36 4.481 -1.315 -9.457 1.00 0.00 C ATOM 516 CD2 PHE A 36 5.007 -0.612 -7.271 1.00 0.00 C ATOM 517 CE1 PHE A 36 5.864 -1.370 -9.773 1.00 0.00 C ATOM 518 CE2 PHE A 36 6.391 -0.667 -7.587 1.00 0.00 C ATOM 519 CZ PHE A 36 6.790 -1.045 -8.831 1.00 0.00 C ATOM 0 H PHE A 36 0.191 -0.866 -7.979 1.00 0.00 H new ATOM 0 HA PHE A 36 2.175 -2.604 -9.146 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.140 -0.042 -8.407 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.479 -0.675 -6.808 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.746 -1.573 -10.205 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.690 -0.311 -6.283 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.181 -1.670 -10.761 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.126 -0.409 -6.839 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.842 -1.087 -9.071 1.00 0.00 H new ATOM 529 N LEU A 37 1.146 -3.108 -6.107 1.00 0.00 N ATOM 530 CA LEU A 37 1.218 -4.015 -4.974 1.00 0.00 C ATOM 531 C LEU A 37 0.682 -5.387 -5.390 1.00 0.00 C ATOM 532 O LEU A 37 0.958 -6.390 -4.734 1.00 0.00 O ATOM 533 CB LEU A 37 0.503 -3.417 -3.762 1.00 0.00 C ATOM 534 CG LEU A 37 1.147 -2.171 -3.151 1.00 0.00 C ATOM 535 CD1 LEU A 37 0.088 -1.247 -2.545 1.00 0.00 C ATOM 536 CD2 LEU A 37 2.224 -2.553 -2.133 1.00 0.00 C ATOM 0 H LEU A 37 0.378 -2.438 -6.069 1.00 0.00 H new ATOM 0 HA LEU A 37 2.254 -4.157 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.518 -3.169 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.437 -4.183 -2.990 1.00 0.00 H new ATOM 0 HG LEU A 37 1.640 -1.616 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.573 -0.369 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.610 -0.934 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.454 -1.779 -1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.666 -1.649 -1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.776 -3.142 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.999 -3.140 -2.626 1.00 0.00 H new ATOM 548 N LYS A 38 -0.075 -5.386 -6.477 1.00 0.00 N ATOM 549 CA LYS A 38 -0.653 -6.617 -6.988 1.00 0.00 C ATOM 550 C LYS A 38 0.421 -7.406 -7.740 1.00 0.00 C ATOM 551 O LYS A 38 0.350 -8.631 -7.827 1.00 0.00 O ATOM 552 CB LYS A 38 -1.897 -6.318 -7.827 1.00 0.00 C ATOM 553 CG LYS A 38 -2.459 -7.598 -8.449 1.00 0.00 C ATOM 554 CD LYS A 38 -3.687 -7.295 -9.311 1.00 0.00 C ATOM 555 CE LYS A 38 -3.489 -7.796 -10.743 1.00 0.00 C ATOM 556 NZ LYS A 38 -3.171 -6.669 -11.647 1.00 0.00 N ATOM 0 H LYS A 38 -0.302 -4.552 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.995 -7.246 -6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.657 -5.849 -7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.647 -5.606 -8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.692 -8.078 -9.057 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.728 -8.302 -7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.567 -7.768 -8.875 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.873 -6.221 -9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.683 -8.530 -10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.392 -8.301 -11.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.040 -7.027 -12.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.952 -5.983 -11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.297 -6.204 -11.328 1.00 0.00 H new ATOM 570 N THR A 39 1.391 -6.671 -8.264 1.00 0.00 N ATOM 571 CA THR A 39 2.478 -7.287 -9.005 1.00 0.00 C ATOM 572 C THR A 39 3.696 -7.486 -8.100 1.00 0.00 C ATOM 573 O THR A 39 4.524 -8.360 -8.351 1.00 0.00 O ATOM 574 CB THR A 39 2.768 -6.416 -10.230 1.00 0.00 C ATOM 575 OG1 THR A 39 3.630 -7.219 -11.031 1.00 0.00 O ATOM 576 CG2 THR A 39 3.614 -5.188 -9.888 1.00 0.00 C ATOM 0 H THR A 39 1.447 -5.655 -8.190 1.00 0.00 H new ATOM 0 HA THR A 39 2.204 -8.283 -9.353 1.00 0.00 H new ATOM 0 HB THR A 39 1.827 -6.096 -10.678 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.867 -6.731 -11.847 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.791 -4.605 -10.792 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.086 -4.575 -9.158 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.569 -5.509 -9.471 1.00 0.00 H new ATOM 584 N LEU A 40 3.765 -6.661 -7.066 1.00 0.00 N ATOM 585 CA LEU A 40 4.868 -6.736 -6.122 1.00 0.00 C ATOM 586 C LEU A 40 4.698 -7.978 -5.244 1.00 0.00 C ATOM 587 O LEU A 40 5.602 -8.807 -5.155 1.00 0.00 O ATOM 588 CB LEU A 40 4.983 -5.433 -5.328 1.00 0.00 C ATOM 589 CG LEU A 40 5.901 -4.364 -5.924 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.804 -3.057 -5.136 1.00 0.00 C ATOM 591 CD2 LEU A 40 7.342 -4.870 -6.019 1.00 0.00 C ATOM 0 H LEU A 40 3.076 -5.938 -6.861 1.00 0.00 H new ATOM 0 HA LEU A 40 5.815 -6.845 -6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.985 -5.008 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.339 -5.672 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 40 5.566 -4.153 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.466 -2.314 -5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.778 -2.691 -5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.099 -3.233 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.974 -4.091 -6.446 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.704 -5.126 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.376 -5.754 -6.656 1.00 0.00 H new ATOM 603 N THR A 41 3.534 -8.067 -4.619 1.00 0.00 N ATOM 604 CA THR A 41 3.234 -9.193 -3.751 1.00 0.00 C ATOM 605 C THR A 41 2.607 -10.334 -4.556 1.00 0.00 C ATOM 606 O THR A 41 3.112 -11.455 -4.547 1.00 0.00 O ATOM 607 CB THR A 41 2.343 -8.691 -2.614 1.00 0.00 C ATOM 608 OG1 THR A 41 1.119 -8.348 -3.257 1.00 0.00 O ATOM 609 CG2 THR A 41 2.837 -7.368 -2.024 1.00 0.00 C ATOM 0 H THR A 41 2.786 -7.377 -4.696 1.00 0.00 H new ATOM 0 HA THR A 41 4.142 -9.606 -3.312 1.00 0.00 H new ATOM 0 HB THR A 41 2.298 -9.445 -1.828 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.112 -7.389 -3.457 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.169 -7.056 -1.221 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.844 -7.500 -1.628 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.850 -6.605 -2.802 1.00 0.00 H new ATOM 617 N GLY A 42 1.515 -10.008 -5.232 1.00 0.00 N ATOM 618 CA GLY A 42 0.814 -10.991 -6.039 1.00 0.00 C ATOM 619 C GLY A 42 -0.601 -11.229 -5.507 1.00 0.00 C ATOM 620 O GLY A 42 -1.136 -12.330 -5.628 1.00 0.00 O ATOM 0 H GLY A 42 1.099 -9.077 -5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.765 -10.650 -7.073 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.369 -11.929 -6.039 1.00 0.00 H new ATOM 624 N VAL A 43 -1.166 -10.179 -4.930 1.00 0.00 N ATOM 625 CA VAL A 43 -2.508 -10.260 -4.379 1.00 0.00 C ATOM 626 C VAL A 43 -3.367 -9.141 -4.971 1.00 0.00 C ATOM 627 O VAL A 43 -2.876 -8.039 -5.212 1.00 0.00 O ATOM 628 CB VAL A 43 -2.450 -10.224 -2.851 1.00 0.00 C ATOM 629 CG1 VAL A 43 -3.856 -10.203 -2.248 1.00 0.00 C ATOM 630 CG2 VAL A 43 -1.637 -11.400 -2.305 1.00 0.00 C ATOM 0 H VAL A 43 -0.719 -9.267 -4.832 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.975 -11.207 -4.651 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.946 -9.303 -2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.785 -10.178 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.389 -9.319 -2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.397 -11.098 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.612 -11.350 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.099 -12.337 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.620 -11.351 -2.694 1.00 0.00 H new ATOM 640 N LEU A 44 -4.634 -9.462 -5.189 1.00 0.00 N ATOM 641 CA LEU A 44 -5.565 -8.497 -5.748 1.00 0.00 C ATOM 642 C LEU A 44 -5.533 -7.218 -4.908 1.00 0.00 C ATOM 643 O LEU A 44 -5.230 -7.261 -3.717 1.00 0.00 O ATOM 644 CB LEU A 44 -6.960 -9.112 -5.879 1.00 0.00 C ATOM 645 CG LEU A 44 -7.086 -10.286 -6.852 1.00 0.00 C ATOM 646 CD1 LEU A 44 -8.514 -10.834 -6.868 1.00 0.00 C ATOM 647 CD2 LEU A 44 -6.607 -9.894 -8.251 1.00 0.00 C ATOM 0 H LEU A 44 -5.037 -10.377 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.267 -8.222 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.282 -9.447 -4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.652 -8.330 -6.192 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.437 -11.089 -6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.576 -11.668 -7.568 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.783 -11.178 -5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.202 -10.048 -7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.708 -10.747 -8.922 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.210 -9.066 -8.623 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.561 -9.589 -8.206 1.00 0.00 H new ATOM 659 N PRO A 45 -5.859 -6.081 -5.580 1.00 0.00 N ATOM 660 CA PRO A 45 -5.871 -4.793 -4.909 1.00 0.00 C ATOM 661 C PRO A 45 -7.100 -4.655 -4.009 1.00 0.00 C ATOM 662 O PRO A 45 -7.104 -3.853 -3.076 1.00 0.00 O ATOM 663 CB PRO A 45 -5.835 -3.765 -6.028 1.00 0.00 C ATOM 664 CG PRO A 45 -6.273 -4.502 -7.284 1.00 0.00 C ATOM 665 CD PRO A 45 -6.223 -5.993 -6.991 1.00 0.00 C ATOM 0 HA PRO A 45 -5.022 -4.661 -4.238 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.501 -2.930 -5.813 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.833 -3.352 -6.147 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.281 -4.203 -7.570 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.618 -4.255 -8.120 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.186 -6.467 -7.182 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.490 -6.496 -7.621 1.00 0.00 H new ATOM 673 N GLU A 46 -8.115 -5.448 -4.321 1.00 0.00 N ATOM 674 CA GLU A 46 -9.347 -5.424 -3.552 1.00 0.00 C ATOM 675 C GLU A 46 -9.179 -6.216 -2.254 1.00 0.00 C ATOM 676 O GLU A 46 -9.604 -5.769 -1.190 1.00 0.00 O ATOM 677 CB GLU A 46 -10.518 -5.965 -4.376 1.00 0.00 C ATOM 678 CG GLU A 46 -10.406 -7.480 -4.558 1.00 0.00 C ATOM 679 CD GLU A 46 -11.412 -7.983 -5.596 1.00 0.00 C ATOM 680 OE1 GLU A 46 -11.641 -7.236 -6.572 1.00 0.00 O ATOM 681 OE2 GLU A 46 -11.928 -9.102 -5.390 1.00 0.00 O ATOM 0 H GLU A 46 -8.109 -6.111 -5.096 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.572 -4.389 -3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.458 -5.723 -3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.537 -5.478 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.395 -7.739 -4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.582 -7.978 -3.605 1.00 0.00 H new ATOM 688 N ARG A 47 -8.557 -7.379 -2.384 1.00 0.00 N ATOM 689 CA ARG A 47 -8.326 -8.237 -1.234 1.00 0.00 C ATOM 690 C ARG A 47 -7.258 -7.629 -0.324 1.00 0.00 C ATOM 691 O ARG A 47 -7.341 -7.743 0.898 1.00 0.00 O ATOM 692 CB ARG A 47 -7.880 -9.634 -1.670 1.00 0.00 C ATOM 693 CG ARG A 47 -8.931 -10.289 -2.569 1.00 0.00 C ATOM 694 CD ARG A 47 -9.190 -11.736 -2.145 1.00 0.00 C ATOM 695 NE ARG A 47 -10.313 -11.789 -1.183 1.00 0.00 N ATOM 696 CZ ARG A 47 -10.588 -12.844 -0.405 1.00 0.00 C ATOM 697 NH1 ARG A 47 -9.822 -13.942 -0.470 1.00 0.00 N ATOM 698 NH2 ARG A 47 -11.628 -12.803 0.439 1.00 0.00 N ATOM 0 H ARG A 47 -8.206 -7.747 -3.268 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.266 -8.322 -0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.931 -9.567 -2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.709 -10.256 -0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.860 -9.721 -2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.594 -10.265 -3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.421 -12.344 -3.020 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.292 -12.157 -1.692 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.916 -10.970 -1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.030 -13.974 -1.112 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.031 -14.746 0.122 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.211 -11.968 0.489 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.836 -13.607 1.031 1.00 0.00 H new ATOM 712 N GLN A 48 -6.279 -6.996 -0.954 1.00 0.00 N ATOM 713 CA GLN A 48 -5.196 -6.370 -0.215 1.00 0.00 C ATOM 714 C GLN A 48 -5.756 -5.463 0.882 1.00 0.00 C ATOM 715 O GLN A 48 -6.547 -4.563 0.604 1.00 0.00 O ATOM 716 CB GLN A 48 -4.272 -5.590 -1.153 1.00 0.00 C ATOM 717 CG GLN A 48 -3.125 -6.472 -1.651 1.00 0.00 C ATOM 718 CD GLN A 48 -2.051 -5.633 -2.347 1.00 0.00 C ATOM 719 OE1 GLN A 48 -1.007 -5.331 -1.792 1.00 0.00 O ATOM 720 NE2 GLN A 48 -2.364 -5.275 -3.589 1.00 0.00 N ATOM 0 H GLN A 48 -6.213 -6.903 -1.968 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.604 -7.154 0.257 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.843 -5.215 -2.003 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.868 -4.722 -0.632 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.684 -7.010 -0.812 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.511 -7.221 -2.342 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.255 -5.562 -3.993 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.713 -4.713 -4.137 1.00 0.00 H new ATOM 729 N LYS A 49 -5.323 -5.731 2.105 1.00 0.00 N ATOM 730 CA LYS A 49 -5.772 -4.949 3.246 1.00 0.00 C ATOM 731 C LYS A 49 -4.607 -4.109 3.772 1.00 0.00 C ATOM 732 O LYS A 49 -3.646 -4.647 4.319 1.00 0.00 O ATOM 733 CB LYS A 49 -6.402 -5.858 4.303 1.00 0.00 C ATOM 734 CG LYS A 49 -7.777 -5.337 4.725 1.00 0.00 C ATOM 735 CD LYS A 49 -7.662 -4.397 5.927 1.00 0.00 C ATOM 736 CE LYS A 49 -7.065 -3.050 5.515 1.00 0.00 C ATOM 737 NZ LYS A 49 -8.004 -1.950 5.830 1.00 0.00 N ATOM 0 H LYS A 49 -4.666 -6.478 2.331 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.557 -4.254 2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.498 -6.869 3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.749 -5.917 5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.242 -4.812 3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.426 -6.176 4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.647 -4.243 6.368 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.038 -4.856 6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.120 -2.890 6.035 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.845 -3.054 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.479 -1.055 5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.715 -1.873 5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.479 -2.147 6.734 1.00 0.00 H new ATOM 751 N LEU A 50 -4.731 -2.803 3.589 1.00 0.00 N ATOM 752 CA LEU A 50 -3.701 -1.882 4.039 1.00 0.00 C ATOM 753 C LEU A 50 -4.031 -1.407 5.455 1.00 0.00 C ATOM 754 O LEU A 50 -4.969 -0.636 5.652 1.00 0.00 O ATOM 755 CB LEU A 50 -3.524 -0.743 3.033 1.00 0.00 C ATOM 756 CG LEU A 50 -3.254 -1.161 1.587 1.00 0.00 C ATOM 757 CD1 LEU A 50 -2.720 0.016 0.767 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.318 -2.369 1.531 1.00 0.00 C ATOM 0 H LEU A 50 -5.530 -2.360 3.135 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.735 -2.385 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.423 -0.127 3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.700 -0.114 3.368 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.199 -1.465 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.536 -0.308 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.454 0.822 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.789 0.373 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.143 -2.645 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.369 -2.116 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.774 -3.207 2.057 1.00 0.00 H new ATOM 770 N LEU A 51 -3.241 -1.887 6.405 1.00 0.00 N ATOM 771 CA LEU A 51 -3.438 -1.520 7.797 1.00 0.00 C ATOM 772 C LEU A 51 -2.377 -0.496 8.205 1.00 0.00 C ATOM 773 O LEU A 51 -1.182 -0.785 8.165 1.00 0.00 O ATOM 774 CB LEU A 51 -3.460 -2.769 8.682 1.00 0.00 C ATOM 775 CG LEU A 51 -4.618 -2.865 9.677 1.00 0.00 C ATOM 776 CD1 LEU A 51 -5.954 -3.023 8.949 1.00 0.00 C ATOM 777 CD2 LEU A 51 -4.379 -3.989 10.688 1.00 0.00 C ATOM 0 H LEU A 51 -2.464 -2.526 6.238 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.409 -1.044 7.932 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.488 -3.647 8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.524 -2.812 9.239 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.666 -1.932 10.238 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.761 -3.089 9.679 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.120 -2.162 8.302 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.935 -3.931 8.346 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.216 -4.036 11.384 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.291 -4.939 10.161 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.459 -3.793 11.239 1.00 0.00 H new ATOM 789 N GLY A 52 -2.852 0.680 8.589 1.00 0.00 N ATOM 790 CA GLY A 52 -1.960 1.749 9.003 1.00 0.00 C ATOM 791 C GLY A 52 -2.620 3.117 8.819 1.00 0.00 C ATOM 792 O GLY A 52 -2.669 3.917 9.752 1.00 0.00 O ATOM 0 H GLY A 52 -3.844 0.916 8.622 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.684 1.612 10.049 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.039 1.705 8.422 1.00 0.00 H new ATOM 796 N LEU A 53 -3.110 3.343 7.609 1.00 0.00 N ATOM 797 CA LEU A 53 -3.765 4.601 7.291 1.00 0.00 C ATOM 798 C LEU A 53 -5.251 4.345 7.031 1.00 0.00 C ATOM 799 O LEU A 53 -5.612 3.363 6.386 1.00 0.00 O ATOM 800 CB LEU A 53 -3.049 5.299 6.132 1.00 0.00 C ATOM 801 CG LEU A 53 -2.720 4.423 4.922 1.00 0.00 C ATOM 802 CD1 LEU A 53 -3.251 5.049 3.631 1.00 0.00 C ATOM 803 CD2 LEU A 53 -1.219 4.137 4.844 1.00 0.00 C ATOM 0 H LEU A 53 -3.067 2.677 6.838 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.702 5.288 8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.669 6.130 5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.120 5.726 6.510 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.225 3.465 5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.004 4.406 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.333 5.159 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.795 6.029 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.012 3.512 3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.674 5.077 4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.900 3.618 5.748 1.00 0.00 H new ATOM 815 N LYS A 54 -6.072 5.248 7.548 1.00 0.00 N ATOM 816 CA LYS A 54 -7.511 5.133 7.380 1.00 0.00 C ATOM 817 C LYS A 54 -8.101 6.518 7.111 1.00 0.00 C ATOM 818 O LYS A 54 -7.417 7.529 7.264 1.00 0.00 O ATOM 819 CB LYS A 54 -8.135 4.421 8.582 1.00 0.00 C ATOM 820 CG LYS A 54 -7.955 2.905 8.476 1.00 0.00 C ATOM 821 CD LYS A 54 -7.966 2.254 9.861 1.00 0.00 C ATOM 822 CE LYS A 54 -9.369 1.764 10.225 1.00 0.00 C ATOM 823 NZ LYS A 54 -9.315 0.384 10.757 1.00 0.00 N ATOM 0 H LYS A 54 -5.768 6.062 8.083 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.745 4.513 6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.675 4.782 9.502 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.197 4.661 8.641 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.753 2.482 7.865 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.015 2.681 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.268 1.417 9.879 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.622 2.971 10.607 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.812 2.429 10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.011 1.796 9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.276 0.067 10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.912 -0.250 10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.719 0.363 11.609 1.00 0.00 H new ATOM 837 N VAL A 55 -9.366 6.521 6.716 1.00 0.00 N ATOM 838 CA VAL A 55 -10.056 7.766 6.425 1.00 0.00 C ATOM 839 C VAL A 55 -11.457 7.724 7.038 1.00 0.00 C ATOM 840 O VAL A 55 -12.346 7.050 6.519 1.00 0.00 O ATOM 841 CB VAL A 55 -10.072 8.015 4.915 1.00 0.00 C ATOM 842 CG1 VAL A 55 -10.919 9.242 4.570 1.00 0.00 C ATOM 843 CG2 VAL A 55 -8.650 8.159 4.368 1.00 0.00 C ATOM 0 H VAL A 55 -9.931 5.681 6.591 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.530 8.608 6.875 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.529 7.148 4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.913 9.396 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -11.943 9.084 4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.505 10.121 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.690 8.335 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.156 9.000 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.090 7.245 4.565 1.00 0.00 H new ATOM 853 N LYS A 56 -11.610 8.451 8.135 1.00 0.00 N ATOM 854 CA LYS A 56 -12.888 8.505 8.825 1.00 0.00 C ATOM 855 C LYS A 56 -13.523 7.113 8.822 1.00 0.00 C ATOM 856 O LYS A 56 -14.691 6.960 8.468 1.00 0.00 O ATOM 857 CB LYS A 56 -13.780 9.589 8.217 1.00 0.00 C ATOM 858 CG LYS A 56 -14.149 9.249 6.771 1.00 0.00 C ATOM 859 CD LYS A 56 -14.956 10.380 6.131 1.00 0.00 C ATOM 860 CE LYS A 56 -16.145 9.827 5.343 1.00 0.00 C ATOM 861 NZ LYS A 56 -16.919 10.930 4.730 1.00 0.00 N ATOM 0 H LYS A 56 -10.870 9.008 8.563 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.746 8.789 9.868 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.687 9.695 8.812 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.265 10.549 8.248 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.242 9.072 6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.728 8.326 6.747 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.313 11.060 6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.314 10.960 5.468 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.791 9.149 4.567 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.789 9.247 6.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.722 10.537 4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.273 11.562 5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.306 11.467 4.084 1.00 0.00 H new ATOM 875 N GLY A 57 -12.726 6.133 9.220 1.00 0.00 N ATOM 876 CA GLY A 57 -13.196 4.758 9.268 1.00 0.00 C ATOM 877 C GLY A 57 -12.479 3.898 8.225 1.00 0.00 C ATOM 878 O GLY A 57 -11.501 3.221 8.539 1.00 0.00 O ATOM 0 H GLY A 57 -11.758 6.263 9.512 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.027 4.346 10.263 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.271 4.731 9.091 1.00 0.00 H new ATOM 882 N LYS A 58 -12.994 3.952 7.005 1.00 0.00 N ATOM 883 CA LYS A 58 -12.416 3.185 5.915 1.00 0.00 C ATOM 884 C LYS A 58 -11.214 3.942 5.346 1.00 0.00 C ATOM 885 O LYS A 58 -11.163 5.170 5.408 1.00 0.00 O ATOM 886 CB LYS A 58 -13.482 2.851 4.870 1.00 0.00 C ATOM 887 CG LYS A 58 -14.044 4.125 4.234 1.00 0.00 C ATOM 888 CD LYS A 58 -13.454 4.348 2.840 1.00 0.00 C ATOM 889 CE LYS A 58 -14.213 5.447 2.093 1.00 0.00 C ATOM 890 NZ LYS A 58 -14.069 6.743 2.793 1.00 0.00 N ATOM 0 H LYS A 58 -13.805 4.515 6.748 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.047 2.226 6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.052 2.214 4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.289 2.286 5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.130 4.054 4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.820 4.982 4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.402 4.621 2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.497 3.420 2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.833 5.532 1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.268 5.182 2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.488 7.499 2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.557 6.698 3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.060 6.944 2.947 1.00 0.00 H new ATOM 904 N PRO A 59 -10.251 3.159 4.791 1.00 0.00 N ATOM 905 CA PRO A 59 -9.053 3.742 4.212 1.00 0.00 C ATOM 906 C PRO A 59 -9.356 4.388 2.859 1.00 0.00 C ATOM 907 O PRO A 59 -10.380 4.096 2.243 1.00 0.00 O ATOM 908 CB PRO A 59 -8.063 2.592 4.113 1.00 0.00 C ATOM 909 CG PRO A 59 -8.892 1.321 4.204 1.00 0.00 C ATOM 910 CD PRO A 59 -10.277 1.702 4.700 1.00 0.00 C ATOM 0 HA PRO A 59 -8.644 4.551 4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.510 2.632 3.174 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.329 2.638 4.917 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.955 0.836 3.230 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -8.425 0.609 4.885 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.051 1.362 4.012 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.489 1.249 5.668 1.00 0.00 H new ATOM 918 N ALA A 60 -8.447 5.254 2.435 1.00 0.00 N ATOM 919 CA ALA A 60 -8.605 5.943 1.166 1.00 0.00 C ATOM 920 C ALA A 60 -8.839 4.915 0.057 1.00 0.00 C ATOM 921 O ALA A 60 -8.494 3.744 0.209 1.00 0.00 O ATOM 922 CB ALA A 60 -7.375 6.815 0.902 1.00 0.00 C ATOM 0 H ALA A 60 -7.599 5.494 2.948 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.473 6.602 1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.493 7.332 -0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.270 7.548 1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.485 6.187 0.866 1.00 0.00 H new ATOM 928 N GLU A 61 -9.424 5.390 -1.033 1.00 0.00 N ATOM 929 CA GLU A 61 -9.708 4.527 -2.166 1.00 0.00 C ATOM 930 C GLU A 61 -8.552 4.568 -3.168 1.00 0.00 C ATOM 931 O GLU A 61 -7.540 5.224 -2.927 1.00 0.00 O ATOM 932 CB GLU A 61 -11.027 4.917 -2.835 1.00 0.00 C ATOM 933 CG GLU A 61 -12.219 4.570 -1.941 1.00 0.00 C ATOM 934 CD GLU A 61 -13.272 3.775 -2.715 1.00 0.00 C ATOM 935 OE1 GLU A 61 -13.920 4.391 -3.588 1.00 0.00 O ATOM 936 OE2 GLU A 61 -13.405 2.568 -2.416 1.00 0.00 O ATOM 0 H GLU A 61 -9.709 6.362 -1.155 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.811 3.505 -1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.028 5.986 -3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.121 4.400 -3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.878 3.990 -1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.664 5.485 -1.550 1.00 0.00 H new ATOM 943 N ASN A 62 -8.741 3.858 -4.270 1.00 0.00 N ATOM 944 CA ASN A 62 -7.727 3.805 -5.309 1.00 0.00 C ATOM 945 C ASN A 62 -7.826 5.060 -6.178 1.00 0.00 C ATOM 946 O ASN A 62 -6.810 5.610 -6.599 1.00 0.00 O ATOM 947 CB ASN A 62 -7.928 2.587 -6.214 1.00 0.00 C ATOM 948 CG ASN A 62 -9.390 2.460 -6.645 1.00 0.00 C ATOM 949 OD1 ASN A 62 -9.939 3.309 -7.328 1.00 0.00 O ATOM 950 ND2 ASN A 62 -9.988 1.355 -6.209 1.00 0.00 N ATOM 0 H ASN A 62 -9.582 3.314 -4.466 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.753 3.738 -4.825 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.292 2.675 -7.095 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -7.621 1.683 -5.687 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.965 1.178 -6.443 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.470 0.685 -5.641 1.00 0.00 H new ATOM 957 N ASP A 63 -9.060 5.477 -6.420 1.00 0.00 N ATOM 958 CA ASP A 63 -9.306 6.658 -7.230 1.00 0.00 C ATOM 959 C ASP A 63 -8.695 7.880 -6.542 1.00 0.00 C ATOM 960 O ASP A 63 -8.539 8.932 -7.160 1.00 0.00 O ATOM 961 CB ASP A 63 -10.806 6.910 -7.396 1.00 0.00 C ATOM 962 CG ASP A 63 -11.269 7.128 -8.838 1.00 0.00 C ATOM 963 OD1 ASP A 63 -10.997 6.230 -9.664 1.00 0.00 O ATOM 964 OD2 ASP A 63 -11.884 8.189 -9.082 1.00 0.00 O ATOM 0 H ASP A 63 -9.901 5.018 -6.069 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.857 6.494 -8.210 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.350 6.062 -6.980 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.080 7.785 -6.806 1.00 0.00 H new ATOM 969 N VAL A 64 -8.365 7.700 -5.271 1.00 0.00 N ATOM 970 CA VAL A 64 -7.774 8.775 -4.493 1.00 0.00 C ATOM 971 C VAL A 64 -6.278 8.861 -4.802 1.00 0.00 C ATOM 972 O VAL A 64 -5.658 7.864 -5.168 1.00 0.00 O ATOM 973 CB VAL A 64 -8.065 8.565 -3.005 1.00 0.00 C ATOM 974 CG1 VAL A 64 -6.969 9.189 -2.138 1.00 0.00 C ATOM 975 CG2 VAL A 64 -9.441 9.121 -2.633 1.00 0.00 C ATOM 0 H VAL A 64 -8.496 6.826 -4.761 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.218 9.732 -4.767 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.073 7.492 -2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.200 9.025 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.011 8.727 -2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.914 10.260 -2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.624 8.959 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.472 10.189 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.209 8.611 -3.215 1.00 0.00 H new ATOM 985 N LYS A 65 -5.741 10.062 -4.644 1.00 0.00 N ATOM 986 CA LYS A 65 -4.330 10.291 -4.902 1.00 0.00 C ATOM 987 C LYS A 65 -3.524 9.946 -3.648 1.00 0.00 C ATOM 988 O LYS A 65 -4.086 9.808 -2.563 1.00 0.00 O ATOM 989 CB LYS A 65 -4.102 11.718 -5.406 1.00 0.00 C ATOM 990 CG LYS A 65 -3.773 11.726 -6.900 1.00 0.00 C ATOM 991 CD LYS A 65 -2.293 12.034 -7.134 1.00 0.00 C ATOM 992 CE LYS A 65 -2.124 13.223 -8.082 1.00 0.00 C ATOM 993 NZ LYS A 65 -1.897 14.469 -7.317 1.00 0.00 N ATOM 0 H LYS A 65 -6.258 10.887 -4.340 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.977 9.636 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.993 12.319 -5.223 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.287 12.179 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.020 10.758 -7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.388 12.470 -7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.808 12.251 -6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.797 11.158 -7.552 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.284 13.044 -8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.013 13.328 -8.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.784 15.265 -7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.711 14.647 -6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.036 14.371 -6.742 1.00 0.00 H new ATOM 1007 N LEU A 66 -2.219 9.816 -3.839 1.00 0.00 N ATOM 1008 CA LEU A 66 -1.330 9.489 -2.737 1.00 0.00 C ATOM 1009 C LEU A 66 -0.825 10.783 -2.095 1.00 0.00 C ATOM 1010 O LEU A 66 -0.607 10.836 -0.886 1.00 0.00 O ATOM 1011 CB LEU A 66 -0.212 8.558 -3.209 1.00 0.00 C ATOM 1012 CG LEU A 66 -0.637 7.139 -3.592 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.382 6.498 -4.536 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -0.880 6.285 -2.346 1.00 0.00 C ATOM 0 H LEU A 66 -1.756 9.931 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.866 8.938 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.275 9.015 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.536 8.491 -2.419 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.582 7.199 -4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.056 5.490 -4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.463 7.096 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.354 6.451 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.181 5.281 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.037 6.229 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.669 6.736 -1.744 1.00 0.00 H new ATOM 1026 N GLY A 67 -0.652 11.794 -2.934 1.00 0.00 N ATOM 1027 CA GLY A 67 -0.176 13.083 -2.463 1.00 0.00 C ATOM 1028 C GLY A 67 -1.228 13.772 -1.591 1.00 0.00 C ATOM 1029 O GLY A 67 -0.899 14.358 -0.561 1.00 0.00 O ATOM 0 H GLY A 67 -0.833 11.746 -3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.743 12.949 -1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.068 13.718 -3.315 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.472 13.677 -2.036 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.575 14.284 -1.310 1.00 0.00 C ATOM 1035 C ALA A 68 -3.520 13.841 0.154 1.00 0.00 C ATOM 1036 O ALA A 68 -3.760 14.641 1.057 1.00 0.00 O ATOM 1037 CB ALA A 68 -4.897 13.910 -1.982 1.00 0.00 C ATOM 0 H ALA A 68 -2.741 13.189 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.496 15.371 -1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.724 14.366 -1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.897 14.271 -3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.013 12.826 -1.978 1.00 0.00 H new ATOM 1043 N LEU A 69 -3.202 12.569 0.343 1.00 0.00 N ATOM 1044 CA LEU A 69 -3.113 12.011 1.682 1.00 0.00 C ATOM 1045 C LEU A 69 -1.892 12.597 2.393 1.00 0.00 C ATOM 1046 O LEU A 69 -1.900 12.762 3.612 1.00 0.00 O ATOM 1047 CB LEU A 69 -3.117 10.482 1.626 1.00 0.00 C ATOM 1048 CG LEU A 69 -4.493 9.816 1.561 1.00 0.00 C ATOM 1049 CD1 LEU A 69 -5.395 10.312 2.693 1.00 0.00 C ATOM 1050 CD2 LEU A 69 -5.135 10.017 0.187 1.00 0.00 C ATOM 0 H LEU A 69 -3.003 11.909 -0.408 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.988 12.288 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.542 10.169 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.594 10.105 2.505 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.361 8.743 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.367 9.824 2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.937 10.075 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.524 11.391 2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.112 9.534 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.253 11.083 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.498 9.577 -0.580 1.00 0.00 H new ATOM 1062 N LYS A 70 -0.872 12.896 1.602 1.00 0.00 N ATOM 1063 CA LYS A 70 0.353 13.461 2.141 1.00 0.00 C ATOM 1064 C LYS A 70 0.762 12.680 3.392 1.00 0.00 C ATOM 1065 O LYS A 70 0.786 13.231 4.492 1.00 0.00 O ATOM 1066 CB LYS A 70 0.191 14.963 2.379 1.00 0.00 C ATOM 1067 CG LYS A 70 0.885 15.771 1.280 1.00 0.00 C ATOM 1068 CD LYS A 70 0.141 17.080 1.009 1.00 0.00 C ATOM 1069 CE LYS A 70 0.934 17.973 0.054 1.00 0.00 C ATOM 1070 NZ LYS A 70 0.108 18.342 -1.118 1.00 0.00 N ATOM 0 H LYS A 70 -0.869 12.757 0.591 1.00 0.00 H new ATOM 0 HA LYS A 70 1.167 13.362 1.423 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.868 15.218 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.610 15.228 3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.912 15.987 1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.934 15.180 0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.838 16.864 0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.030 17.607 1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.259 18.874 0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.833 17.453 -0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.662 18.948 -1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.182 17.481 -1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.737 18.857 -0.799 1.00 0.00 H new ATOM 1084 N LEU A 71 1.073 11.409 3.182 1.00 0.00 N ATOM 1085 CA LEU A 71 1.479 10.548 4.280 1.00 0.00 C ATOM 1086 C LEU A 71 2.965 10.766 4.570 1.00 0.00 C ATOM 1087 O LEU A 71 3.635 11.520 3.866 1.00 0.00 O ATOM 1088 CB LEU A 71 1.118 9.092 3.979 1.00 0.00 C ATOM 1089 CG LEU A 71 -0.329 8.832 3.557 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -0.388 7.917 2.332 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -1.150 8.281 4.724 1.00 0.00 C ATOM 0 H LEU A 71 1.052 10.955 2.269 1.00 0.00 H new ATOM 0 HA LEU A 71 0.935 10.806 5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.776 8.732 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.329 8.495 4.866 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.776 9.783 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.428 7.749 2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.139 8.387 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.084 6.963 2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.175 8.105 4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.712 7.343 5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.149 9.002 5.542 1.00 0.00 H new ATOM 1103 N LYS A 72 3.438 10.092 5.609 1.00 0.00 N ATOM 1104 CA LYS A 72 4.832 10.203 6.001 1.00 0.00 C ATOM 1105 C LYS A 72 5.691 9.359 5.057 1.00 0.00 C ATOM 1106 O LYS A 72 5.195 8.428 4.425 1.00 0.00 O ATOM 1107 CB LYS A 72 5.004 9.841 7.478 1.00 0.00 C ATOM 1108 CG LYS A 72 4.187 10.778 8.370 1.00 0.00 C ATOM 1109 CD LYS A 72 4.881 12.134 8.522 1.00 0.00 C ATOM 1110 CE LYS A 72 6.082 12.032 9.464 1.00 0.00 C ATOM 1111 NZ LYS A 72 6.697 13.363 9.665 1.00 0.00 N ATOM 0 H LYS A 72 2.880 9.467 6.191 1.00 0.00 H new ATOM 0 HA LYS A 72 5.173 11.234 5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.690 8.810 7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.058 9.900 7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.194 10.919 7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.050 10.324 9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.209 12.490 7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.173 12.868 8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.766 11.622 10.423 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.819 11.343 9.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.511 13.276 10.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.017 13.740 8.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.996 14.010 10.080 1.00 0.00 H new ATOM 1125 N PRO A 73 7.000 9.723 4.991 1.00 0.00 N ATOM 1126 CA PRO A 73 7.933 9.010 4.135 1.00 0.00 C ATOM 1127 C PRO A 73 8.306 7.655 4.740 1.00 0.00 C ATOM 1128 O PRO A 73 8.183 7.455 5.947 1.00 0.00 O ATOM 1129 CB PRO A 73 9.124 9.943 3.989 1.00 0.00 C ATOM 1130 CG PRO A 73 9.019 10.936 5.134 1.00 0.00 C ATOM 1131 CD PRO A 73 7.624 10.820 5.726 1.00 0.00 C ATOM 0 HA PRO A 73 7.510 8.770 3.160 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.062 9.389 4.037 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.104 10.454 3.026 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.774 10.726 5.892 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.199 11.950 4.777 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.664 10.609 6.795 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.064 11.747 5.605 1.00 0.00 H new ATOM 1139 N ASN A 74 8.754 6.759 3.872 1.00 0.00 N ATOM 1140 CA ASN A 74 9.145 5.429 4.306 1.00 0.00 C ATOM 1141 C ASN A 74 8.141 4.918 5.341 1.00 0.00 C ATOM 1142 O ASN A 74 8.507 4.181 6.255 1.00 0.00 O ATOM 1143 CB ASN A 74 10.528 5.447 4.958 1.00 0.00 C ATOM 1144 CG ASN A 74 10.699 6.679 5.848 1.00 0.00 C ATOM 1145 OD1 ASN A 74 10.935 7.783 5.385 1.00 0.00 O ATOM 1146 ND2 ASN A 74 10.567 6.431 7.148 1.00 0.00 N ATOM 0 H ASN A 74 8.855 6.928 2.871 1.00 0.00 H new ATOM 0 HA ASN A 74 9.168 4.782 3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.666 4.543 5.552 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.298 5.442 4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.663 7.189 7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.369 5.483 7.469 1.00 0.00 H new ATOM 1153 N THR A 75 6.894 5.331 5.163 1.00 0.00 N ATOM 1154 CA THR A 75 5.834 4.924 6.070 1.00 0.00 C ATOM 1155 C THR A 75 5.607 3.414 5.982 1.00 0.00 C ATOM 1156 O THR A 75 5.010 2.928 5.023 1.00 0.00 O ATOM 1157 CB THR A 75 4.588 5.747 5.740 1.00 0.00 C ATOM 1158 OG1 THR A 75 4.808 6.991 6.400 1.00 0.00 O ATOM 1159 CG2 THR A 75 3.326 5.192 6.404 1.00 0.00 C ATOM 0 H THR A 75 6.594 5.943 4.404 1.00 0.00 H new ATOM 0 HA THR A 75 6.104 5.119 7.108 1.00 0.00 H new ATOM 0 HB THR A 75 4.448 5.774 4.659 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.414 7.716 5.871 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.471 5.813 6.137 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.154 4.171 6.062 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.453 5.195 7.487 1.00 0.00 H new ATOM 1167 N LYS A 76 6.094 2.714 6.996 1.00 0.00 N ATOM 1168 CA LYS A 76 5.951 1.269 7.045 1.00 0.00 C ATOM 1169 C LYS A 76 4.493 0.915 7.342 1.00 0.00 C ATOM 1170 O LYS A 76 4.077 0.902 8.500 1.00 0.00 O ATOM 1171 CB LYS A 76 6.946 0.665 8.038 1.00 0.00 C ATOM 1172 CG LYS A 76 8.385 1.021 7.659 1.00 0.00 C ATOM 1173 CD LYS A 76 9.296 1.003 8.887 1.00 0.00 C ATOM 1174 CE LYS A 76 9.923 -0.379 9.085 1.00 0.00 C ATOM 1175 NZ LYS A 76 10.689 -0.425 10.350 1.00 0.00 N ATOM 0 H LYS A 76 6.588 3.121 7.790 1.00 0.00 H new ATOM 0 HA LYS A 76 6.195 0.829 6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.730 1.030 9.042 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.830 -0.419 8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.755 0.313 6.917 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.410 2.008 7.198 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.082 1.750 8.772 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.723 1.277 9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.143 -1.140 9.098 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.580 -0.610 8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.107 -1.370 10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.446 0.288 10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.053 -0.226 11.148 1.00 0.00 H new ATOM 1189 N ILE A 77 3.756 0.636 6.277 1.00 0.00 N ATOM 1190 CA ILE A 77 2.353 0.282 6.410 1.00 0.00 C ATOM 1191 C ILE A 77 2.221 -1.239 6.503 1.00 0.00 C ATOM 1192 O ILE A 77 3.170 -1.967 6.213 1.00 0.00 O ATOM 1193 CB ILE A 77 1.535 0.902 5.275 1.00 0.00 C ATOM 1194 CG1 ILE A 77 1.840 0.218 3.941 1.00 0.00 C ATOM 1195 CG2 ILE A 77 1.751 2.415 5.206 1.00 0.00 C ATOM 1196 CD1 ILE A 77 0.959 -1.017 3.744 1.00 0.00 C ATOM 0 H ILE A 77 4.104 0.648 5.318 1.00 0.00 H new ATOM 0 HA ILE A 77 1.942 0.694 7.331 1.00 0.00 H new ATOM 0 HB ILE A 77 0.479 0.737 5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.677 0.920 3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.890 -0.071 3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.158 2.830 4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.443 2.870 6.147 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.806 2.624 5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.196 -1.484 2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.142 -1.727 4.550 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.090 -0.721 3.753 1.00 0.00 H new ATOM 1208 N MET A 78 1.037 -1.675 6.908 1.00 0.00 N ATOM 1209 CA MET A 78 0.769 -3.097 7.043 1.00 0.00 C ATOM 1210 C MET A 78 -0.100 -3.603 5.889 1.00 0.00 C ATOM 1211 O MET A 78 -0.943 -2.870 5.374 1.00 0.00 O ATOM 1212 CB MET A 78 0.057 -3.358 8.371 1.00 0.00 C ATOM 1213 CG MET A 78 0.762 -4.461 9.163 1.00 0.00 C ATOM 1214 SD MET A 78 1.485 -3.780 10.647 1.00 0.00 S ATOM 1215 CE MET A 78 2.214 -5.254 11.341 1.00 0.00 C ATOM 0 H MET A 78 0.252 -1.069 7.147 1.00 0.00 H new ATOM 0 HA MET A 78 1.719 -3.631 7.019 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.032 -2.441 8.960 1.00 0.00 H new ATOM 0 HB3 MET A 78 -0.978 -3.645 8.183 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.051 -5.245 9.422 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.536 -4.922 8.550 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.726 -5.004 12.270 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.432 -5.986 11.543 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.930 -5.674 10.634 1.00 0.00 H new ATOM 1225 N MET A 79 0.136 -4.852 5.517 1.00 0.00 N ATOM 1226 CA MET A 79 -0.614 -5.465 4.434 1.00 0.00 C ATOM 1227 C MET A 79 -1.133 -6.846 4.839 1.00 0.00 C ATOM 1228 O MET A 79 -0.368 -7.689 5.304 1.00 0.00 O ATOM 1229 CB MET A 79 0.283 -5.598 3.202 1.00 0.00 C ATOM 1230 CG MET A 79 -0.551 -5.668 1.921 1.00 0.00 C ATOM 1231 SD MET A 79 0.457 -6.253 0.569 1.00 0.00 S ATOM 1232 CE MET A 79 -0.020 -7.973 0.548 1.00 0.00 C ATOM 0 H MET A 79 0.836 -5.457 5.946 1.00 0.00 H new ATOM 0 HA MET A 79 -1.469 -4.829 4.205 1.00 0.00 H new ATOM 0 HB2 MET A 79 0.964 -4.749 3.151 1.00 0.00 H new ATOM 0 HB3 MET A 79 0.897 -6.494 3.290 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.401 -6.334 2.067 1.00 0.00 H new ATOM 0 HG3 MET A 79 -0.954 -4.683 1.685 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.819 -8.579 0.208 1.00 0.00 H new ATOM 0 HE2 MET A 79 -0.308 -8.283 1.553 1.00 0.00 H new ATOM 0 HE3 MET A 79 -0.863 -8.108 -0.129 1.00 0.00 H new ATOM 1242 N MET A 80 -2.431 -7.035 4.648 1.00 0.00 N ATOM 1243 CA MET A 80 -3.061 -8.299 4.988 1.00 0.00 C ATOM 1244 C MET A 80 -3.840 -8.861 3.797 1.00 0.00 C ATOM 1245 O MET A 80 -4.397 -8.105 3.002 1.00 0.00 O ATOM 1246 CB MET A 80 -4.012 -8.094 6.169 1.00 0.00 C ATOM 1247 CG MET A 80 -3.301 -8.359 7.497 1.00 0.00 C ATOM 1248 SD MET A 80 -4.231 -9.538 8.463 1.00 0.00 S ATOM 1249 CE MET A 80 -5.564 -8.494 9.027 1.00 0.00 C ATOM 0 H MET A 80 -3.063 -6.334 4.262 1.00 0.00 H new ATOM 0 HA MET A 80 -2.281 -9.011 5.257 1.00 0.00 H new ATOM 0 HB2 MET A 80 -4.399 -7.075 6.156 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.868 -8.761 6.071 1.00 0.00 H new ATOM 0 HG2 MET A 80 -2.297 -8.740 7.312 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.191 -7.428 8.052 1.00 0.00 H new ATOM 0 HE1 MET A 80 -6.244 -9.076 9.649 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.157 -7.667 9.609 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.106 -8.100 8.167 1.00 0.00 H new ATOM 1259 N GLY A 81 -3.853 -10.183 3.710 1.00 0.00 N ATOM 1260 CA GLY A 81 -4.554 -10.855 2.629 1.00 0.00 C ATOM 1261 C GLY A 81 -3.806 -12.116 2.191 1.00 0.00 C ATOM 1262 O GLY A 81 -2.627 -12.281 2.500 1.00 0.00 O ATOM 0 H GLY A 81 -3.389 -10.807 4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.561 -11.119 2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.659 -10.177 1.782 1.00 0.00 H new ATOM 1266 N THR A 82 -4.522 -12.972 1.478 1.00 0.00 N ATOM 1267 CA THR A 82 -3.941 -14.213 0.994 1.00 0.00 C ATOM 1268 C THR A 82 -3.630 -14.109 -0.501 1.00 0.00 C ATOM 1269 O THR A 82 -4.078 -13.178 -1.168 1.00 0.00 O ATOM 1270 CB THR A 82 -4.904 -15.352 1.337 1.00 0.00 C ATOM 1271 OG1 THR A 82 -6.183 -14.850 0.959 1.00 0.00 O ATOM 1272 CG2 THR A 82 -5.024 -15.582 2.844 1.00 0.00 C ATOM 0 H THR A 82 -5.500 -12.831 1.223 1.00 0.00 H new ATOM 0 HA THR A 82 -2.987 -14.418 1.479 1.00 0.00 H new ATOM 0 HB THR A 82 -4.567 -16.270 0.856 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.868 -15.526 1.145 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.719 -16.400 3.033 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.046 -15.835 3.252 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.393 -14.675 3.322 1.00 0.00 H new ATOM 1280 N ARG A 83 -2.865 -15.078 -0.982 1.00 0.00 N ATOM 1281 CA ARG A 83 -2.489 -15.108 -2.385 1.00 0.00 C ATOM 1282 C ARG A 83 -3.149 -16.297 -3.087 1.00 0.00 C ATOM 1283 O ARG A 83 -3.681 -17.191 -2.432 1.00 0.00 O ATOM 1284 CB ARG A 83 -0.971 -15.208 -2.547 1.00 0.00 C ATOM 1285 CG ARG A 83 -0.454 -16.558 -2.046 1.00 0.00 C ATOM 1286 CD ARG A 83 0.121 -16.435 -0.634 1.00 0.00 C ATOM 1287 NE ARG A 83 0.560 -17.763 -0.149 1.00 0.00 N ATOM 1288 CZ ARG A 83 -0.264 -18.683 0.369 1.00 0.00 C ATOM 1289 NH1 ARG A 83 -1.575 -18.427 0.473 1.00 0.00 N ATOM 1290 NH2 ARG A 83 0.223 -19.861 0.784 1.00 0.00 N ATOM 0 H ARG A 83 -2.495 -15.848 -0.425 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.831 -14.178 -2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.704 -15.079 -3.596 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.489 -14.402 -1.994 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.265 -17.286 -2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.313 -16.932 -2.724 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.963 -15.742 -0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.631 -16.023 0.039 1.00 0.00 H new ATOM 0 HE ARG A 83 1.552 -17.992 -0.213 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.946 -17.531 0.158 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.202 -19.128 0.868 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.221 -20.057 0.705 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.404 -20.562 1.179 1.00 0.00 H new