USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 460 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 55 THR OG1 : rot -80:sc= 0.661 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 THR OG1 : rot -124:sc= 0.987 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= -0.0258 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -5:sc= 0.2 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -134:sc= 0.257 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0403 F(o=-1.6!,f=-0.04) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= -0.0306 (180deg=-0.405) USER MOD Single : A 31 GLN : amide:sc= -9.6! C(o=-9.6!,f=-16!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -5.51! C(o=-5.5!,f=-5.5!) USER MOD Single : A 41 GLN : amide:sc= -0.394 X(o=-0.39,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0183 X(o=-0.018,f=-0.44) USER MOD Single : A 59 TYR OH : rot 146:sc= 0.0165 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= -0.322 (180deg=-1.89!) USER MOD Single : A 65 SER OG : rot -23:sc= 0.186 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0409 X(o=-0.041,f=0) USER MOD ----------------------------------------------------------------- ATOM 16 N GLN A 2 0.578 -6.067 11.039 1.00 0.00 N ATOM 17 CA GLN A 2 1.114 -4.755 10.714 1.00 0.00 C ATOM 18 C GLN A 2 2.105 -4.860 9.554 1.00 0.00 C ATOM 19 O GLN A 2 2.866 -5.823 9.467 1.00 0.00 O ATOM 20 CB GLN A 2 1.769 -4.112 11.938 1.00 0.00 C ATOM 21 CG GLN A 2 1.164 -2.737 12.225 1.00 0.00 C ATOM 22 CD GLN A 2 1.324 -2.365 13.701 1.00 0.00 C ATOM 23 OE1 GLN A 2 0.372 -2.326 14.465 1.00 0.00 O ATOM 24 NE2 GLN A 2 2.575 -2.094 14.058 1.00 0.00 N ATOM 0 HA GLN A 2 0.289 -4.113 10.405 1.00 0.00 H new ATOM 0 HB2 GLN A 2 1.639 -4.759 12.806 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.842 -4.014 11.771 1.00 0.00 H new ATOM 0 HG2 GLN A 2 1.649 -1.985 11.602 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.107 -2.738 11.959 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.325 -2.146 13.368 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.785 -1.834 15.022 1.00 0.00 H new ATOM 31 N ILE A 3 2.064 -3.856 8.690 1.00 0.00 N ATOM 32 CA ILE A 3 2.949 -3.824 7.537 1.00 0.00 C ATOM 33 C ILE A 3 3.496 -2.406 7.361 1.00 0.00 C ATOM 34 O ILE A 3 3.304 -1.550 8.223 1.00 0.00 O ATOM 35 CB ILE A 3 2.235 -4.366 6.299 1.00 0.00 C ATOM 36 CG1 ILE A 3 1.053 -3.475 5.912 1.00 0.00 C ATOM 37 CG2 ILE A 3 1.814 -5.823 6.501 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.716 -3.622 4.427 1.00 0.00 C ATOM 0 H ILE A 3 1.432 -3.059 8.765 1.00 0.00 H new ATOM 0 HA ILE A 3 3.805 -4.480 7.694 1.00 0.00 H new ATOM 0 HB ILE A 3 2.937 -4.347 5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.183 -3.738 6.513 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.290 -2.434 6.133 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.308 -6.183 5.605 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.697 -6.434 6.690 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.137 -5.891 7.352 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.128 -2.978 4.180 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.580 -3.335 3.828 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.455 -4.659 4.214 1.00 0.00 H new ATOM 49 N PHE A 4 4.169 -2.202 6.237 1.00 0.00 N ATOM 50 CA PHE A 4 4.746 -0.903 5.937 1.00 0.00 C ATOM 51 C PHE A 4 4.717 -0.625 4.433 1.00 0.00 C ATOM 52 O PHE A 4 4.550 -1.543 3.631 1.00 0.00 O ATOM 53 CB PHE A 4 6.201 -0.939 6.408 1.00 0.00 C ATOM 54 CG PHE A 4 6.372 -1.377 7.864 1.00 0.00 C ATOM 55 CD1 PHE A 4 6.160 -0.488 8.871 1.00 0.00 C ATOM 56 CD2 PHE A 4 6.738 -2.655 8.152 1.00 0.00 C ATOM 57 CE1 PHE A 4 6.319 -0.894 10.222 1.00 0.00 C ATOM 58 CE2 PHE A 4 6.897 -3.061 9.503 1.00 0.00 C ATOM 59 CZ PHE A 4 6.684 -2.172 10.510 1.00 0.00 C ATOM 0 H PHE A 4 4.327 -2.914 5.524 1.00 0.00 H new ATOM 0 HA PHE A 4 4.176 -0.119 6.436 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.763 -1.618 5.767 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.637 0.052 6.284 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.871 0.527 8.643 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.908 -3.361 7.353 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.150 -0.188 11.021 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.187 -4.076 9.731 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.805 -2.481 11.538 1.00 0.00 H new ATOM 68 N VAL A 5 4.882 0.645 4.094 1.00 0.00 N ATOM 69 CA VAL A 5 4.876 1.056 2.701 1.00 0.00 C ATOM 70 C VAL A 5 5.992 2.077 2.470 1.00 0.00 C ATOM 71 O VAL A 5 6.248 2.926 3.323 1.00 0.00 O ATOM 72 CB VAL A 5 3.493 1.584 2.316 1.00 0.00 C ATOM 73 CG1 VAL A 5 3.471 2.052 0.859 1.00 0.00 C ATOM 74 CG2 VAL A 5 2.414 0.531 2.570 1.00 0.00 C ATOM 0 H VAL A 5 5.021 1.404 4.761 1.00 0.00 H new ATOM 0 HA VAL A 5 5.075 0.204 2.051 1.00 0.00 H new ATOM 0 HB VAL A 5 3.275 2.445 2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.476 2.423 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.200 2.850 0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.721 1.217 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.441 0.932 2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.626 -0.358 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.405 0.267 3.628 1.00 0.00 H new ATOM 84 N LYS A 6 6.626 1.962 1.311 1.00 0.00 N ATOM 85 CA LYS A 6 7.708 2.865 0.958 1.00 0.00 C ATOM 86 C LYS A 6 7.173 3.957 0.031 1.00 0.00 C ATOM 87 O LYS A 6 5.962 4.140 -0.084 1.00 0.00 O ATOM 88 CB LYS A 6 8.887 2.084 0.372 1.00 0.00 C ATOM 89 CG LYS A 6 10.027 1.971 1.386 1.00 0.00 C ATOM 90 CD LYS A 6 11.254 1.305 0.759 1.00 0.00 C ATOM 91 CE LYS A 6 12.544 1.811 1.408 1.00 0.00 C ATOM 92 NZ LYS A 6 13.671 1.730 0.452 1.00 0.00 N ATOM 0 H LYS A 6 6.411 1.258 0.605 1.00 0.00 H new ATOM 0 HA LYS A 6 8.095 3.363 1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.557 1.088 0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.245 2.581 -0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.294 2.963 1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.696 1.393 2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.184 0.223 0.875 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.276 1.510 -0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.412 2.842 1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.768 1.219 2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.539 2.077 0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.806 0.742 0.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.461 2.314 -0.382 1.00 0.00 H new ATOM 102 N THR A 7 8.100 4.655 -0.608 1.00 0.00 N ATOM 103 CA THR A 7 7.737 5.725 -1.521 1.00 0.00 C ATOM 104 C THR A 7 8.985 6.474 -1.990 1.00 0.00 C ATOM 105 O THR A 7 10.077 6.258 -1.464 1.00 0.00 O ATOM 106 CB THR A 7 6.719 6.624 -0.816 1.00 0.00 C ATOM 107 OG1 THR A 7 7.079 7.941 -1.220 1.00 0.00 O ATOM 108 CG2 THR A 7 6.904 6.637 0.703 1.00 0.00 C ATOM 0 H THR A 7 9.103 4.500 -0.511 1.00 0.00 H new ATOM 0 HA THR A 7 7.274 5.331 -2.426 1.00 0.00 H new ATOM 0 HB THR A 7 5.710 6.288 -1.057 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.245 8.493 -0.427 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.157 7.290 1.155 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.786 5.626 1.093 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.901 7.005 0.945 1.00 0.00 H new ATOM 116 N LEU A 8 8.784 7.336 -2.975 1.00 0.00 N ATOM 117 CA LEU A 8 9.880 8.118 -3.521 1.00 0.00 C ATOM 118 C LEU A 8 10.575 8.877 -2.388 1.00 0.00 C ATOM 119 O LEU A 8 11.713 9.317 -2.537 1.00 0.00 O ATOM 120 CB LEU A 8 9.384 9.022 -4.651 1.00 0.00 C ATOM 121 CG LEU A 8 8.553 8.338 -5.741 1.00 0.00 C ATOM 122 CD1 LEU A 8 8.097 9.348 -6.796 1.00 0.00 C ATOM 123 CD2 LEU A 8 9.320 7.168 -6.359 1.00 0.00 C ATOM 0 H LEU A 8 7.878 7.510 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 8 10.626 7.463 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.786 9.822 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.249 9.491 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 8 7.655 7.927 -5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.509 8.837 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.488 10.118 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.969 9.809 -7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.709 6.699 -7.130 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.246 7.534 -6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.553 6.436 -5.585 1.00 0.00 H new ATOM 134 N THR A 9 9.859 9.006 -1.280 1.00 0.00 N ATOM 135 CA THR A 9 10.392 9.703 -0.123 1.00 0.00 C ATOM 136 C THR A 9 11.270 8.765 0.709 1.00 0.00 C ATOM 137 O THR A 9 12.193 9.212 1.387 1.00 0.00 O ATOM 138 CB THR A 9 9.214 10.286 0.662 1.00 0.00 C ATOM 139 OG1 THR A 9 8.314 9.191 0.801 1.00 0.00 O ATOM 140 CG2 THR A 9 8.425 11.318 -0.147 1.00 0.00 C ATOM 0 H THR A 9 8.915 8.639 -1.160 1.00 0.00 H new ATOM 0 HA THR A 9 11.042 10.525 -0.423 1.00 0.00 H new ATOM 0 HB THR A 9 9.581 10.748 1.579 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.522 9.480 1.300 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.601 11.700 0.456 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.082 12.141 -0.426 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.029 10.849 -1.047 1.00 0.00 H new ATOM 148 N GLY A 10 10.952 7.481 0.627 1.00 0.00 N ATOM 149 CA GLY A 10 11.700 6.476 1.362 1.00 0.00 C ATOM 150 C GLY A 10 11.363 6.525 2.853 1.00 0.00 C ATOM 151 O GLY A 10 12.235 6.778 3.682 1.00 0.00 O ATOM 0 H GLY A 10 10.186 7.114 0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.472 5.486 0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.769 6.638 1.221 1.00 0.00 H new ATOM 155 N LYS A 11 10.096 6.276 3.149 1.00 0.00 N ATOM 156 CA LYS A 11 9.633 6.288 4.527 1.00 0.00 C ATOM 157 C LYS A 11 8.934 4.962 4.836 1.00 0.00 C ATOM 158 O LYS A 11 8.816 4.101 3.966 1.00 0.00 O ATOM 159 CB LYS A 11 8.762 7.518 4.789 1.00 0.00 C ATOM 160 CG LYS A 11 9.431 8.459 5.793 1.00 0.00 C ATOM 161 CD LYS A 11 8.670 9.782 5.896 1.00 0.00 C ATOM 162 CE LYS A 11 7.362 9.602 6.672 1.00 0.00 C ATOM 163 NZ LYS A 11 7.531 10.033 8.078 1.00 0.00 N ATOM 0 H LYS A 11 9.375 6.065 2.459 1.00 0.00 H new ATOM 0 HA LYS A 11 10.477 6.372 5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.582 8.047 3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.790 7.205 5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.472 7.982 6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.460 8.650 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.292 10.526 6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.455 10.161 4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.569 10.182 6.200 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.054 8.557 6.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.635 9.905 8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.273 9.461 8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.803 11.036 8.103 1.00 0.00 H new ATOM 173 N THR A 12 8.488 4.841 6.078 1.00 0.00 N ATOM 174 CA THR A 12 7.804 3.635 6.513 1.00 0.00 C ATOM 175 C THR A 12 6.514 3.992 7.255 1.00 0.00 C ATOM 176 O THR A 12 6.559 4.512 8.369 1.00 0.00 O ATOM 177 CB THR A 12 8.782 2.814 7.355 1.00 0.00 C ATOM 178 OG1 THR A 12 9.542 2.086 6.394 1.00 0.00 O ATOM 179 CG2 THR A 12 8.082 1.729 8.174 1.00 0.00 C ATOM 0 H THR A 12 8.587 5.558 6.797 1.00 0.00 H new ATOM 0 HA THR A 12 7.495 3.027 5.663 1.00 0.00 H new ATOM 0 HB THR A 12 9.330 3.478 8.024 1.00 0.00 H new ATOM 0 HG1 THR A 12 10.203 1.528 6.854 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.822 1.176 8.753 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.363 2.191 8.851 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.562 1.046 7.503 1.00 0.00 H new ATOM 187 N ILE A 13 5.396 3.699 6.608 1.00 0.00 N ATOM 188 CA ILE A 13 4.097 3.983 7.193 1.00 0.00 C ATOM 189 C ILE A 13 3.530 2.702 7.810 1.00 0.00 C ATOM 190 O ILE A 13 3.354 1.701 7.117 1.00 0.00 O ATOM 191 CB ILE A 13 3.173 4.629 6.158 1.00 0.00 C ATOM 192 CG1 ILE A 13 3.293 3.928 4.803 1.00 0.00 C ATOM 193 CG2 ILE A 13 3.435 6.132 6.052 1.00 0.00 C ATOM 194 CD1 ILE A 13 4.290 4.654 3.897 1.00 0.00 C ATOM 0 H ILE A 13 5.363 3.268 5.684 1.00 0.00 H new ATOM 0 HA ILE A 13 4.192 4.711 7.999 1.00 0.00 H new ATOM 0 HB ILE A 13 2.143 4.505 6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.614 2.897 4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.316 3.892 4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.765 6.567 5.310 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.258 6.601 7.020 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.469 6.301 5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.357 4.136 2.940 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.953 5.678 3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.271 4.667 4.372 1.00 0.00 H new ATOM 205 N THR A 14 3.259 2.777 9.104 1.00 0.00 N ATOM 206 CA THR A 14 2.715 1.636 9.822 1.00 0.00 C ATOM 207 C THR A 14 1.212 1.508 9.560 1.00 0.00 C ATOM 208 O THR A 14 0.441 2.406 9.898 1.00 0.00 O ATOM 209 CB THR A 14 3.061 1.800 11.303 1.00 0.00 C ATOM 210 OG1 THR A 14 4.312 1.132 11.443 1.00 0.00 O ATOM 211 CG2 THR A 14 2.115 1.018 12.216 1.00 0.00 C ATOM 0 H THR A 14 3.406 3.610 9.675 1.00 0.00 H new ATOM 0 HA THR A 14 3.155 0.702 9.472 1.00 0.00 H new ATOM 0 HB THR A 14 3.029 2.857 11.568 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.546 0.694 10.598 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.405 1.169 13.256 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.094 1.370 12.069 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.171 -0.043 11.974 1.00 0.00 H new ATOM 219 N LEU A 15 0.842 0.386 8.961 1.00 0.00 N ATOM 220 CA LEU A 15 -0.554 0.129 8.650 1.00 0.00 C ATOM 221 C LEU A 15 -0.957 -1.232 9.221 1.00 0.00 C ATOM 222 O LEU A 15 -0.099 -2.052 9.543 1.00 0.00 O ATOM 223 CB LEU A 15 -0.802 0.264 7.147 1.00 0.00 C ATOM 224 CG LEU A 15 -1.361 1.609 6.677 1.00 0.00 C ATOM 225 CD1 LEU A 15 -0.400 2.294 5.704 1.00 0.00 C ATOM 226 CD2 LEU A 15 -2.759 1.441 6.077 1.00 0.00 C ATOM 0 H LEU A 15 1.485 -0.356 8.683 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.193 0.875 9.122 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.138 0.082 6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.493 -0.521 6.841 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.458 2.260 7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.822 3.247 5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.556 2.467 6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.248 1.656 4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.134 2.411 5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.710 0.765 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.430 1.027 6.829 1.00 0.00 H new ATOM 237 N GLU A 16 -2.262 -1.431 9.325 1.00 0.00 N ATOM 238 CA GLU A 16 -2.789 -2.679 9.850 1.00 0.00 C ATOM 239 C GLU A 16 -3.867 -3.234 8.918 1.00 0.00 C ATOM 240 O GLU A 16 -5.054 -2.972 9.111 1.00 0.00 O ATOM 241 CB GLU A 16 -3.334 -2.492 11.268 1.00 0.00 C ATOM 242 CG GLU A 16 -4.405 -1.400 11.304 1.00 0.00 C ATOM 243 CD GLU A 16 -4.553 -0.823 12.714 1.00 0.00 C ATOM 244 OE1 GLU A 16 -3.620 -0.106 13.134 1.00 0.00 O ATOM 245 OE2 GLU A 16 -5.597 -1.113 13.338 1.00 0.00 O ATOM 0 H GLU A 16 -2.971 -0.749 9.055 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.974 -3.401 9.902 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.755 -3.431 11.626 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.519 -2.230 11.943 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.142 -0.604 10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.359 -1.810 10.973 1.00 0.00 H new ATOM 250 N VAL A 17 -3.418 -3.990 7.929 1.00 0.00 N ATOM 251 CA VAL A 17 -4.329 -4.584 6.965 1.00 0.00 C ATOM 252 C VAL A 17 -4.342 -6.104 7.151 1.00 0.00 C ATOM 253 O VAL A 17 -3.591 -6.638 7.965 1.00 0.00 O ATOM 254 CB VAL A 17 -3.943 -4.159 5.547 1.00 0.00 C ATOM 255 CG1 VAL A 17 -4.351 -2.709 5.279 1.00 0.00 C ATOM 256 CG2 VAL A 17 -2.446 -4.362 5.302 1.00 0.00 C ATOM 0 H VAL A 17 -2.433 -4.206 7.773 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.345 -4.227 7.131 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.486 -4.794 4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.065 -2.432 4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.430 -2.608 5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.849 -2.052 5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.198 -4.052 4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.877 -3.764 6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.196 -5.415 5.431 1.00 0.00 H new ATOM 266 N GLU A 18 -5.203 -6.754 6.383 1.00 0.00 N ATOM 267 CA GLU A 18 -5.323 -8.201 6.453 1.00 0.00 C ATOM 268 C GLU A 18 -4.580 -8.852 5.285 1.00 0.00 C ATOM 269 O GLU A 18 -4.574 -8.322 4.175 1.00 0.00 O ATOM 270 CB GLU A 18 -6.793 -8.628 6.475 1.00 0.00 C ATOM 271 CG GLU A 18 -7.278 -8.850 7.909 1.00 0.00 C ATOM 272 CD GLU A 18 -8.331 -9.959 7.966 1.00 0.00 C ATOM 273 OE1 GLU A 18 -9.231 -9.930 7.100 1.00 0.00 O ATOM 274 OE2 GLU A 18 -8.211 -10.809 8.875 1.00 0.00 O ATOM 0 H GLU A 18 -5.824 -6.306 5.709 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.866 -8.540 7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.404 -7.864 5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.918 -9.545 5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.433 -9.113 8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.698 -7.924 8.302 1.00 0.00 H new ATOM 279 N PRO A 19 -3.955 -10.022 5.584 1.00 0.00 N ATOM 280 CA PRO A 19 -3.211 -10.752 4.572 1.00 0.00 C ATOM 281 C PRO A 19 -4.156 -11.464 3.601 1.00 0.00 C ATOM 282 O PRO A 19 -3.709 -12.125 2.665 1.00 0.00 O ATOM 283 CB PRO A 19 -2.326 -11.712 5.350 1.00 0.00 C ATOM 284 CG PRO A 19 -2.939 -11.814 6.737 1.00 0.00 C ATOM 285 CD PRO A 19 -3.941 -10.681 6.887 1.00 0.00 C ATOM 0 HA PRO A 19 -2.609 -10.098 3.941 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.289 -12.688 4.867 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.301 -11.344 5.402 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.430 -12.778 6.867 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.166 -11.744 7.502 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.929 -11.059 7.150 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.643 -9.991 7.676 1.00 0.00 H new ATOM 290 N SER A 20 -5.446 -11.304 3.858 1.00 0.00 N ATOM 291 CA SER A 20 -6.458 -11.922 3.019 1.00 0.00 C ATOM 292 C SER A 20 -7.293 -10.845 2.325 1.00 0.00 C ATOM 293 O SER A 20 -8.308 -11.148 1.699 1.00 0.00 O ATOM 294 CB SER A 20 -7.361 -12.849 3.837 1.00 0.00 C ATOM 295 OG SER A 20 -6.609 -13.731 4.666 1.00 0.00 O ATOM 0 H SER A 20 -5.813 -10.755 4.635 1.00 0.00 H new ATOM 0 HA SER A 20 -5.954 -12.524 2.263 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.029 -12.251 4.456 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.988 -13.432 3.163 1.00 0.00 H new ATOM 0 HG SER A 20 -7.221 -14.305 5.173 1.00 0.00 H new ATOM 300 N ASP A 21 -6.836 -9.608 2.461 1.00 0.00 N ATOM 301 CA ASP A 21 -7.528 -8.484 1.854 1.00 0.00 C ATOM 302 C ASP A 21 -6.962 -8.237 0.454 1.00 0.00 C ATOM 303 O ASP A 21 -5.828 -8.613 0.164 1.00 0.00 O ATOM 304 CB ASP A 21 -7.331 -7.208 2.676 1.00 0.00 C ATOM 305 CG ASP A 21 -6.029 -6.456 2.399 1.00 0.00 C ATOM 306 OD1 ASP A 21 -5.124 -7.085 1.810 1.00 0.00 O ATOM 307 OD2 ASP A 21 -5.968 -5.267 2.782 1.00 0.00 O ATOM 0 H ASP A 21 -5.995 -9.360 2.983 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.590 -8.725 1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.168 -6.537 2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.366 -7.466 3.734 1.00 0.00 H new ATOM 311 N THR A 22 -7.779 -7.606 -0.377 1.00 0.00 N ATOM 312 CA THR A 22 -7.375 -7.305 -1.738 1.00 0.00 C ATOM 313 C THR A 22 -6.500 -6.050 -1.770 1.00 0.00 C ATOM 314 O THR A 22 -6.708 -5.124 -0.986 1.00 0.00 O ATOM 315 CB THR A 22 -8.639 -7.186 -2.592 1.00 0.00 C ATOM 316 OG1 THR A 22 -8.150 -6.896 -3.899 1.00 0.00 O ATOM 317 CG2 THR A 22 -9.477 -5.958 -2.228 1.00 0.00 C ATOM 0 H THR A 22 -8.719 -7.295 -0.133 1.00 0.00 H new ATOM 0 HA THR A 22 -6.759 -8.103 -2.153 1.00 0.00 H new ATOM 0 HB THR A 22 -9.242 -8.086 -2.475 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.673 -6.165 -4.289 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.362 -5.920 -2.863 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.782 -6.022 -1.184 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.884 -5.056 -2.378 1.00 0.00 H new ATOM 325 N ILE A 23 -5.540 -6.060 -2.682 1.00 0.00 N ATOM 326 CA ILE A 23 -4.633 -4.933 -2.826 1.00 0.00 C ATOM 327 C ILE A 23 -5.430 -3.629 -2.753 1.00 0.00 C ATOM 328 O ILE A 23 -4.941 -2.627 -2.234 1.00 0.00 O ATOM 329 CB ILE A 23 -3.800 -5.075 -4.101 1.00 0.00 C ATOM 330 CG1 ILE A 23 -2.999 -6.379 -4.091 1.00 0.00 C ATOM 331 CG2 ILE A 23 -2.903 -3.853 -4.310 1.00 0.00 C ATOM 332 CD1 ILE A 23 -2.467 -6.685 -2.690 1.00 0.00 C ATOM 0 H ILE A 23 -5.370 -6.830 -3.329 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.916 -4.914 -2.005 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.482 -5.122 -4.950 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.630 -7.200 -4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.167 -6.304 -4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.322 -3.980 -5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.520 -2.959 -4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.227 -3.748 -3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.902 -7.617 -2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.817 -5.874 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.303 -6.783 -1.997 1.00 0.00 H new ATOM 343 N GLU A 24 -6.643 -3.684 -3.281 1.00 0.00 N ATOM 344 CA GLU A 24 -7.513 -2.520 -3.283 1.00 0.00 C ATOM 345 C GLU A 24 -7.774 -2.050 -1.851 1.00 0.00 C ATOM 346 O GLU A 24 -7.756 -0.853 -1.574 1.00 0.00 O ATOM 347 CB GLU A 24 -8.826 -2.818 -4.010 1.00 0.00 C ATOM 348 CG GLU A 24 -8.979 -1.933 -5.249 1.00 0.00 C ATOM 349 CD GLU A 24 -9.844 -0.708 -4.944 1.00 0.00 C ATOM 350 OE1 GLU A 24 -9.322 0.199 -4.261 1.00 0.00 O ATOM 351 OE2 GLU A 24 -11.008 -0.708 -5.400 1.00 0.00 O ATOM 0 H GLU A 24 -7.045 -4.517 -3.711 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.011 -1.717 -3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.854 -3.868 -4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.666 -2.653 -3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.996 -1.612 -5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.429 -2.508 -6.058 1.00 0.00 H new ATOM 356 N ASN A 25 -8.010 -3.019 -0.978 1.00 0.00 N ATOM 357 CA ASN A 25 -8.274 -2.720 0.419 1.00 0.00 C ATOM 358 C ASN A 25 -7.065 -1.999 1.019 1.00 0.00 C ATOM 359 O ASN A 25 -7.217 -0.982 1.694 1.00 0.00 O ATOM 360 CB ASN A 25 -8.508 -4.001 1.222 1.00 0.00 C ATOM 361 CG ASN A 25 -9.474 -3.752 2.383 1.00 0.00 C ATOM 362 OD1 ASN A 25 -9.482 -2.496 2.820 1.00 0.00 O flip ATOM 363 ND2 ASN A 25 -10.167 -4.642 2.850 1.00 0.00 N flip ATOM 0 H ASN A 25 -8.024 -4.012 -1.212 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.167 -2.096 0.468 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.911 -4.775 0.569 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.558 -4.371 1.608 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.112 -5.586 2.467 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.801 -4.442 3.623 1.00 0.00 H new ATOM 369 N VAL A 26 -5.893 -2.556 0.752 1.00 0.00 N ATOM 370 CA VAL A 26 -4.659 -1.979 1.257 1.00 0.00 C ATOM 371 C VAL A 26 -4.429 -0.617 0.598 1.00 0.00 C ATOM 372 O VAL A 26 -4.065 0.347 1.269 1.00 0.00 O ATOM 373 CB VAL A 26 -3.498 -2.952 1.039 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.207 -2.412 1.655 1.00 0.00 C ATOM 375 CG2 VAL A 26 -3.833 -4.338 1.594 1.00 0.00 C ATOM 0 H VAL A 26 -5.772 -3.400 0.193 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.728 -1.812 2.332 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.340 -3.050 -0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.398 -3.123 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.954 -1.458 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.347 -2.270 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.992 -5.010 1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.031 -4.264 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.716 -4.729 1.088 1.00 0.00 H new ATOM 385 N LYS A 27 -4.653 -0.583 -0.707 1.00 0.00 N ATOM 386 CA LYS A 27 -4.475 0.644 -1.464 1.00 0.00 C ATOM 387 C LYS A 27 -5.691 1.549 -1.255 1.00 0.00 C ATOM 388 O LYS A 27 -5.756 2.646 -1.807 1.00 0.00 O ATOM 389 CB LYS A 27 -4.189 0.330 -2.935 1.00 0.00 C ATOM 390 CG LYS A 27 -5.222 0.992 -3.849 1.00 0.00 C ATOM 391 CD LYS A 27 -5.016 0.569 -5.305 1.00 0.00 C ATOM 392 CE LYS A 27 -4.629 -0.907 -5.397 1.00 0.00 C ATOM 393 NZ LYS A 27 -4.901 -1.430 -6.755 1.00 0.00 N ATOM 0 H LYS A 27 -4.956 -1.385 -1.259 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.604 1.191 -1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.190 0.679 -3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.201 -0.749 -3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.227 0.719 -3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.144 2.076 -3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.931 0.745 -5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.237 1.182 -5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.572 -1.028 -5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.189 -1.483 -4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.633 -2.434 -6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.914 -1.333 -6.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.347 -0.892 -7.452 1.00 0.00 H new ATOM 403 N ALA A 28 -6.625 1.055 -0.455 1.00 0.00 N ATOM 404 CA ALA A 28 -7.836 1.804 -0.166 1.00 0.00 C ATOM 405 C ALA A 28 -7.652 2.574 1.144 1.00 0.00 C ATOM 406 O ALA A 28 -8.139 3.696 1.282 1.00 0.00 O ATOM 407 CB ALA A 28 -9.029 0.848 -0.118 1.00 0.00 C ATOM 0 H ALA A 28 -6.567 0.145 0.002 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.034 2.532 -0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.937 1.410 0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.133 0.348 -1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.868 0.104 0.662 1.00 0.00 H new ATOM 413 N LYS A 29 -6.950 1.942 2.072 1.00 0.00 N ATOM 414 CA LYS A 29 -6.696 2.554 3.365 1.00 0.00 C ATOM 415 C LYS A 29 -5.824 3.796 3.175 1.00 0.00 C ATOM 416 O LYS A 29 -6.275 4.916 3.407 1.00 0.00 O ATOM 417 CB LYS A 29 -6.104 1.529 4.335 1.00 0.00 C ATOM 418 CG LYS A 29 -7.118 1.147 5.415 1.00 0.00 C ATOM 419 CD LYS A 29 -6.504 0.177 6.426 1.00 0.00 C ATOM 420 CE LYS A 29 -7.589 -0.634 7.137 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.206 -1.604 6.205 1.00 0.00 N ATOM 0 H LYS A 29 -6.549 1.012 1.954 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.629 2.887 3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.799 0.638 3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.208 1.939 4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.462 2.044 5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.993 0.690 4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.816 -0.498 5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.920 0.733 7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.158 -1.162 7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.353 0.036 7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.588 -2.408 6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.976 -1.141 5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.488 -1.946 5.534 1.00 0.00 H new ATOM 431 N ILE A 30 -4.591 3.555 2.753 1.00 0.00 N ATOM 432 CA ILE A 30 -3.652 4.641 2.530 1.00 0.00 C ATOM 433 C ILE A 30 -4.352 5.766 1.763 1.00 0.00 C ATOM 434 O ILE A 30 -4.393 6.905 2.227 1.00 0.00 O ATOM 435 CB ILE A 30 -2.388 4.122 1.841 1.00 0.00 C ATOM 436 CG1 ILE A 30 -2.723 3.012 0.842 1.00 0.00 C ATOM 437 CG2 ILE A 30 -1.348 3.672 2.869 1.00 0.00 C ATOM 438 CD1 ILE A 30 -1.968 3.210 -0.473 1.00 0.00 C ATOM 0 H ILE A 30 -4.221 2.624 2.560 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.321 5.060 3.480 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.948 4.943 1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.466 2.043 1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.796 3.002 0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.460 3.308 2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.078 4.514 3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.765 2.873 3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.225 2.407 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.245 4.169 -0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.895 3.195 -0.282 1.00 0.00 H new ATOM 449 N GLN A 31 -4.885 5.407 0.604 1.00 0.00 N ATOM 450 CA GLN A 31 -5.580 6.371 -0.230 1.00 0.00 C ATOM 451 C GLN A 31 -6.659 7.093 0.580 1.00 0.00 C ATOM 452 O GLN A 31 -7.062 8.203 0.234 1.00 0.00 O ATOM 453 CB GLN A 31 -6.182 5.695 -1.464 1.00 0.00 C ATOM 454 CG GLN A 31 -5.084 5.193 -2.403 1.00 0.00 C ATOM 455 CD GLN A 31 -4.017 6.266 -2.622 1.00 0.00 C ATOM 456 OE1 GLN A 31 -4.073 7.056 -3.551 1.00 0.00 O ATOM 457 NE2 GLN A 31 -3.041 6.253 -1.717 1.00 0.00 N ATOM 0 H GLN A 31 -4.849 4.461 0.223 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.858 7.110 -0.577 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.811 4.860 -1.155 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.824 6.400 -1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.624 4.298 -1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.521 4.909 -3.360 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.053 5.565 -0.964 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.281 6.931 -1.777 1.00 0.00 H new ATOM 464 N ASP A 32 -7.096 6.434 1.644 1.00 0.00 N ATOM 465 CA ASP A 32 -8.119 6.999 2.506 1.00 0.00 C ATOM 466 C ASP A 32 -7.452 7.804 3.624 1.00 0.00 C ATOM 467 O ASP A 32 -7.922 8.883 3.981 1.00 0.00 O ATOM 468 CB ASP A 32 -8.962 5.900 3.154 1.00 0.00 C ATOM 469 CG ASP A 32 -10.379 5.756 2.594 1.00 0.00 C ATOM 470 OD1 ASP A 32 -11.196 6.658 2.877 1.00 0.00 O ATOM 471 OD2 ASP A 32 -10.613 4.746 1.895 1.00 0.00 O ATOM 0 H ASP A 32 -6.760 5.514 1.928 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.761 7.633 1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.443 4.949 3.037 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.029 6.097 4.224 1.00 0.00 H new ATOM 475 N LYS A 33 -6.368 7.248 4.143 1.00 0.00 N ATOM 476 CA LYS A 33 -5.631 7.900 5.212 1.00 0.00 C ATOM 477 C LYS A 33 -5.418 9.372 4.854 1.00 0.00 C ATOM 478 O LYS A 33 -5.870 10.261 5.575 1.00 0.00 O ATOM 479 CB LYS A 33 -4.334 7.145 5.507 1.00 0.00 C ATOM 480 CG LYS A 33 -4.534 6.134 6.638 1.00 0.00 C ATOM 481 CD LYS A 33 -4.224 6.763 7.998 1.00 0.00 C ATOM 482 CE LYS A 33 -2.918 6.213 8.573 1.00 0.00 C ATOM 483 NZ LYS A 33 -1.954 7.311 8.809 1.00 0.00 N ATOM 0 H LYS A 33 -5.982 6.353 3.843 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.204 7.876 6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.997 6.629 4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.551 7.852 5.781 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.561 5.770 6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.888 5.271 6.477 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.152 7.846 7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.042 6.563 8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.117 5.689 9.508 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.488 5.485 7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.072 6.921 9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.751 7.794 7.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.360 7.991 9.483 1.00 0.00 H new ATOM 493 N GLU A 34 -4.729 9.585 3.742 1.00 0.00 N ATOM 494 CA GLU A 34 -4.451 10.933 3.281 1.00 0.00 C ATOM 495 C GLU A 34 -5.675 11.515 2.572 1.00 0.00 C ATOM 496 O GLU A 34 -6.136 12.603 2.913 1.00 0.00 O ATOM 497 CB GLU A 34 -3.225 10.958 2.366 1.00 0.00 C ATOM 498 CG GLU A 34 -3.046 9.615 1.653 1.00 0.00 C ATOM 499 CD GLU A 34 -2.217 8.650 2.502 1.00 0.00 C ATOM 500 OE1 GLU A 34 -2.786 8.129 3.487 1.00 0.00 O ATOM 501 OE2 GLU A 34 -1.035 8.454 2.149 1.00 0.00 O ATOM 0 H GLU A 34 -4.355 8.845 3.147 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.229 11.554 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.333 11.754 1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.334 11.185 2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.022 9.176 1.446 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.557 9.772 0.692 1.00 0.00 H new ATOM 506 N GLY A 35 -6.168 10.764 1.597 1.00 0.00 N ATOM 507 CA GLY A 35 -7.329 11.191 0.837 1.00 0.00 C ATOM 508 C GLY A 35 -6.982 11.368 -0.642 1.00 0.00 C ATOM 509 O GLY A 35 -7.531 12.242 -1.312 1.00 0.00 O ATOM 0 H GLY A 35 -5.783 9.862 1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.127 10.456 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.707 12.131 1.240 1.00 0.00 H new ATOM 513 N ILE A 36 -6.073 10.526 -1.109 1.00 0.00 N ATOM 514 CA ILE A 36 -5.645 10.579 -2.496 1.00 0.00 C ATOM 515 C ILE A 36 -5.994 9.257 -3.184 1.00 0.00 C ATOM 516 O ILE A 36 -5.874 8.191 -2.583 1.00 0.00 O ATOM 517 CB ILE A 36 -4.162 10.946 -2.586 1.00 0.00 C ATOM 518 CG1 ILE A 36 -3.567 10.499 -3.924 1.00 0.00 C ATOM 519 CG2 ILE A 36 -3.384 10.382 -1.397 1.00 0.00 C ATOM 520 CD1 ILE A 36 -2.045 10.384 -3.835 1.00 0.00 C ATOM 0 H ILE A 36 -5.620 9.802 -0.551 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.178 11.367 -3.029 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.076 12.032 -2.541 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.992 9.537 -4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.837 11.213 -4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.333 10.658 -1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.789 10.790 -0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.475 9.296 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.647 10.065 -4.798 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.622 11.353 -3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.779 9.652 -3.072 1.00 0.00 H new ATOM 531 N PRO A 37 -6.432 9.375 -4.466 1.00 0.00 N ATOM 532 CA PRO A 37 -6.799 8.203 -5.242 1.00 0.00 C ATOM 533 C PRO A 37 -5.557 7.436 -5.700 1.00 0.00 C ATOM 534 O PRO A 37 -4.541 8.039 -6.040 1.00 0.00 O ATOM 535 CB PRO A 37 -7.625 8.740 -6.399 1.00 0.00 C ATOM 536 CG PRO A 37 -7.300 10.223 -6.490 1.00 0.00 C ATOM 537 CD PRO A 37 -6.586 10.622 -5.209 1.00 0.00 C ATOM 0 HA PRO A 37 -7.372 7.479 -4.663 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.375 8.228 -7.328 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.690 8.583 -6.225 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.670 10.423 -7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.212 10.807 -6.617 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.619 11.079 -5.420 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.166 11.351 -4.643 1.00 0.00 H new ATOM 542 N PRO A 38 -5.682 6.082 -5.692 1.00 0.00 N ATOM 543 CA PRO A 38 -4.582 5.226 -6.102 1.00 0.00 C ATOM 544 C PRO A 38 -4.415 5.237 -7.623 1.00 0.00 C ATOM 545 O PRO A 38 -3.342 4.926 -8.136 1.00 0.00 O ATOM 546 CB PRO A 38 -4.927 3.852 -5.552 1.00 0.00 C ATOM 547 CG PRO A 38 -6.417 3.882 -5.258 1.00 0.00 C ATOM 548 CD PRO A 38 -6.870 5.333 -5.295 1.00 0.00 C ATOM 0 HA PRO A 38 -3.620 5.564 -5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.687 3.071 -6.274 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.355 3.638 -4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.963 3.293 -5.994 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.622 3.443 -4.282 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.684 5.476 -6.006 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.236 5.658 -4.321 1.00 0.00 H new ATOM 553 N ASP A 39 -5.494 5.599 -8.301 1.00 0.00 N ATOM 554 CA ASP A 39 -5.482 5.654 -9.753 1.00 0.00 C ATOM 555 C ASP A 39 -4.156 6.255 -10.225 1.00 0.00 C ATOM 556 O ASP A 39 -3.682 5.944 -11.315 1.00 0.00 O ATOM 557 CB ASP A 39 -6.615 6.535 -10.280 1.00 0.00 C ATOM 558 CG ASP A 39 -7.879 5.781 -10.701 1.00 0.00 C ATOM 559 OD1 ASP A 39 -7.825 5.137 -11.771 1.00 0.00 O ATOM 560 OD2 ASP A 39 -8.869 5.867 -9.944 1.00 0.00 O ATOM 0 H ASP A 39 -6.383 5.857 -7.872 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.610 4.639 -10.130 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.881 7.258 -9.509 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.247 7.102 -11.135 1.00 0.00 H new ATOM 564 N GLN A 40 -3.596 7.107 -9.378 1.00 0.00 N ATOM 565 CA GLN A 40 -2.334 7.756 -9.695 1.00 0.00 C ATOM 566 C GLN A 40 -1.164 6.933 -9.153 1.00 0.00 C ATOM 567 O GLN A 40 -0.206 6.660 -9.874 1.00 0.00 O ATOM 568 CB GLN A 40 -2.300 9.184 -9.148 1.00 0.00 C ATOM 569 CG GLN A 40 -3.274 10.087 -9.908 1.00 0.00 C ATOM 570 CD GLN A 40 -4.679 9.478 -9.933 1.00 0.00 C ATOM 571 OE1 GLN A 40 -5.237 9.184 -10.978 1.00 0.00 O ATOM 572 NE2 GLN A 40 -5.215 9.307 -8.729 1.00 0.00 N ATOM 0 H GLN A 40 -3.992 7.363 -8.474 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.240 7.815 -10.779 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.556 9.177 -8.089 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.289 9.584 -9.229 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.308 11.070 -9.437 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.919 10.234 -10.928 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.692 9.575 -7.895 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.149 8.908 -8.639 1.00 0.00 H new ATOM 579 N GLN A 41 -1.281 6.559 -7.887 1.00 0.00 N ATOM 580 CA GLN A 41 -0.244 5.774 -7.240 1.00 0.00 C ATOM 581 C GLN A 41 -0.366 4.302 -7.641 1.00 0.00 C ATOM 582 O GLN A 41 -1.097 3.967 -8.572 1.00 0.00 O ATOM 583 CB GLN A 41 -0.302 5.934 -5.720 1.00 0.00 C ATOM 584 CG GLN A 41 -0.267 7.411 -5.323 1.00 0.00 C ATOM 585 CD GLN A 41 1.163 7.864 -5.019 1.00 0.00 C ATOM 586 OE1 GLN A 41 1.548 8.066 -3.879 1.00 0.00 O ATOM 587 NE2 GLN A 41 1.924 8.012 -6.099 1.00 0.00 N ATOM 0 H GLN A 41 -2.078 6.785 -7.292 1.00 0.00 H new ATOM 0 HA GLN A 41 0.726 6.143 -7.574 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.212 5.472 -5.336 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.538 5.411 -5.263 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.681 8.018 -6.129 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.897 7.571 -4.448 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.538 7.826 -7.024 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.894 8.312 -6.002 1.00 0.00 H new ATOM 594 N ARG A 42 0.360 3.463 -6.917 1.00 0.00 N ATOM 595 CA ARG A 42 0.341 2.034 -7.185 1.00 0.00 C ATOM 596 C ARG A 42 1.279 1.302 -6.223 1.00 0.00 C ATOM 597 O ARG A 42 2.422 1.713 -6.031 1.00 0.00 O ATOM 598 CB ARG A 42 0.767 1.739 -8.625 1.00 0.00 C ATOM 599 CG ARG A 42 -0.372 1.085 -9.410 1.00 0.00 C ATOM 600 CD ARG A 42 0.117 0.580 -10.769 1.00 0.00 C ATOM 601 NE ARG A 42 -0.676 1.198 -11.855 1.00 0.00 N ATOM 602 CZ ARG A 42 -1.889 0.774 -12.233 1.00 0.00 C ATOM 603 NH1 ARG A 42 -2.456 -0.273 -11.616 1.00 0.00 N ATOM 604 NH2 ARG A 42 -2.536 1.395 -13.228 1.00 0.00 N ATOM 0 H ARG A 42 0.965 3.745 -6.145 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.680 1.682 -7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.068 2.665 -9.116 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.637 1.082 -8.624 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.784 0.255 -8.836 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.179 1.804 -9.554 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.173 0.820 -10.897 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.029 -0.505 -10.816 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.274 1.996 -12.346 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.964 -0.747 -10.859 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.380 -0.596 -11.904 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.105 2.191 -13.698 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.460 1.072 -13.516 1.00 0.00 H new ATOM 615 N LEU A 43 0.761 0.228 -5.646 1.00 0.00 N ATOM 616 CA LEU A 43 1.538 -0.566 -4.709 1.00 0.00 C ATOM 617 C LEU A 43 2.450 -1.517 -5.486 1.00 0.00 C ATOM 618 O LEU A 43 2.140 -1.896 -6.615 1.00 0.00 O ATOM 619 CB LEU A 43 0.616 -1.275 -3.714 1.00 0.00 C ATOM 620 CG LEU A 43 0.167 -0.445 -2.508 1.00 0.00 C ATOM 621 CD1 LEU A 43 1.344 -0.158 -1.573 1.00 0.00 C ATOM 622 CD2 LEU A 43 -0.535 0.838 -2.956 1.00 0.00 C ATOM 0 H LEU A 43 -0.187 -0.111 -5.809 1.00 0.00 H new ATOM 0 HA LEU A 43 2.183 0.076 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.272 -1.613 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.126 -2.166 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.560 -1.028 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.999 0.433 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.762 -1.099 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.111 0.397 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.844 1.409 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.150 1.437 -3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.412 0.584 -3.551 1.00 0.00 H new ATOM 633 N ILE A 44 3.555 -1.876 -4.852 1.00 0.00 N ATOM 634 CA ILE A 44 4.515 -2.777 -5.470 1.00 0.00 C ATOM 635 C ILE A 44 5.072 -3.729 -4.409 1.00 0.00 C ATOM 636 O ILE A 44 5.178 -3.366 -3.238 1.00 0.00 O ATOM 637 CB ILE A 44 5.593 -1.983 -6.211 1.00 0.00 C ATOM 638 CG1 ILE A 44 4.967 -0.925 -7.121 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.531 -2.917 -6.978 1.00 0.00 C ATOM 640 CD1 ILE A 44 4.501 -1.543 -8.442 1.00 0.00 C ATOM 0 H ILE A 44 3.809 -1.560 -3.916 1.00 0.00 H new ATOM 0 HA ILE A 44 4.028 -3.393 -6.226 1.00 0.00 H new ATOM 0 HB ILE A 44 6.197 -1.455 -5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.121 -0.459 -6.615 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.693 -0.136 -7.320 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.288 -2.328 -7.496 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.017 -3.599 -6.280 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.958 -3.491 -7.706 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.060 -0.769 -9.070 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.353 -1.986 -8.957 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.758 -2.314 -8.241 1.00 0.00 H new ATOM 651 N PHE A 45 5.412 -4.928 -4.857 1.00 0.00 N ATOM 652 CA PHE A 45 5.955 -5.935 -3.961 1.00 0.00 C ATOM 653 C PHE A 45 6.563 -7.098 -4.747 1.00 0.00 C ATOM 654 O PHE A 45 5.882 -7.733 -5.550 1.00 0.00 O ATOM 655 CB PHE A 45 4.790 -6.459 -3.118 1.00 0.00 C ATOM 656 CG PHE A 45 5.222 -7.184 -1.843 1.00 0.00 C ATOM 657 CD1 PHE A 45 5.773 -6.484 -0.815 1.00 0.00 C ATOM 658 CD2 PHE A 45 5.055 -8.530 -1.736 1.00 0.00 C ATOM 659 CE1 PHE A 45 6.174 -7.157 0.369 1.00 0.00 C ATOM 660 CE2 PHE A 45 5.455 -9.203 -0.552 1.00 0.00 C ATOM 661 CZ PHE A 45 6.007 -8.503 0.476 1.00 0.00 C ATOM 0 H PHE A 45 5.322 -5.225 -5.829 1.00 0.00 H new ATOM 0 HA PHE A 45 6.740 -5.499 -3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.146 -5.623 -2.848 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.192 -7.139 -3.725 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.906 -5.416 -0.900 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.618 -9.086 -2.552 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.612 -6.601 1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.321 -10.271 -0.467 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.312 -9.016 1.376 1.00 0.00 H new ATOM 670 N ALA A 46 7.840 -7.340 -4.489 1.00 0.00 N ATOM 671 CA ALA A 46 8.549 -8.415 -5.163 1.00 0.00 C ATOM 672 C ALA A 46 8.716 -8.062 -6.642 1.00 0.00 C ATOM 673 O ALA A 46 9.156 -8.891 -7.436 1.00 0.00 O ATOM 674 CB ALA A 46 7.794 -9.730 -4.960 1.00 0.00 C ATOM 0 H ALA A 46 8.402 -6.810 -3.823 1.00 0.00 H new ATOM 0 HA ALA A 46 9.545 -8.542 -4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.325 -10.536 -5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.728 -9.951 -3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.790 -9.641 -5.375 1.00 0.00 H new ATOM 680 N GLY A 47 8.357 -6.828 -6.967 1.00 0.00 N ATOM 681 CA GLY A 47 8.462 -6.355 -8.337 1.00 0.00 C ATOM 682 C GLY A 47 7.157 -6.592 -9.099 1.00 0.00 C ATOM 683 O GLY A 47 7.156 -6.661 -10.328 1.00 0.00 O ATOM 0 H GLY A 47 7.993 -6.142 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.702 -5.292 -8.341 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.280 -6.869 -8.841 1.00 0.00 H new ATOM 687 N LYS A 48 6.078 -6.709 -8.340 1.00 0.00 N ATOM 688 CA LYS A 48 4.769 -6.937 -8.930 1.00 0.00 C ATOM 689 C LYS A 48 4.008 -5.610 -9.001 1.00 0.00 C ATOM 690 O LYS A 48 4.346 -4.660 -8.297 1.00 0.00 O ATOM 691 CB LYS A 48 4.022 -8.034 -8.169 1.00 0.00 C ATOM 692 CG LYS A 48 4.298 -9.409 -8.780 1.00 0.00 C ATOM 693 CD LYS A 48 5.733 -9.859 -8.493 1.00 0.00 C ATOM 694 CE LYS A 48 6.054 -11.164 -9.222 1.00 0.00 C ATOM 695 NZ LYS A 48 6.895 -12.038 -8.374 1.00 0.00 N ATOM 0 H LYS A 48 6.083 -6.650 -7.322 1.00 0.00 H new ATOM 0 HA LYS A 48 4.870 -7.302 -9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.328 -8.029 -7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.951 -7.831 -8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.597 -10.138 -8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.133 -9.372 -9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.431 -9.082 -8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.868 -9.995 -7.420 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.129 -11.680 -9.481 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.571 -10.948 -10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.104 -12.920 -8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.785 -11.550 -8.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.388 -12.259 -7.493 1.00 0.00 H new ATOM 705 N GLN A 49 2.996 -5.591 -9.855 1.00 0.00 N ATOM 706 CA GLN A 49 2.186 -4.397 -10.026 1.00 0.00 C ATOM 707 C GLN A 49 1.168 -4.279 -8.891 1.00 0.00 C ATOM 708 O GLN A 49 0.450 -3.285 -8.797 1.00 0.00 O ATOM 709 CB GLN A 49 1.490 -4.398 -11.389 1.00 0.00 C ATOM 710 CG GLN A 49 0.207 -3.564 -11.350 1.00 0.00 C ATOM 711 CD GLN A 49 -0.373 -3.385 -12.755 1.00 0.00 C ATOM 712 OE1 GLN A 49 -1.367 -3.988 -13.124 1.00 0.00 O ATOM 713 NE2 GLN A 49 0.300 -2.525 -13.512 1.00 0.00 N ATOM 0 H GLN A 49 2.718 -6.382 -10.436 1.00 0.00 H new ATOM 0 HA GLN A 49 2.843 -3.528 -9.990 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.165 -3.999 -12.146 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.254 -5.422 -11.680 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.528 -4.050 -10.708 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.416 -2.588 -10.912 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.125 -2.054 -13.139 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.008 -2.335 -14.466 1.00 0.00 H new ATOM 720 N LEU A 50 1.138 -5.308 -8.057 1.00 0.00 N ATOM 721 CA LEU A 50 0.220 -5.332 -6.930 1.00 0.00 C ATOM 722 C LEU A 50 -1.119 -4.726 -7.356 1.00 0.00 C ATOM 723 O LEU A 50 -1.317 -3.517 -7.253 1.00 0.00 O ATOM 724 CB LEU A 50 0.847 -4.647 -5.714 1.00 0.00 C ATOM 725 CG LEU A 50 1.801 -5.504 -4.879 1.00 0.00 C ATOM 726 CD1 LEU A 50 1.333 -5.587 -3.425 1.00 0.00 C ATOM 727 CD2 LEU A 50 1.982 -6.889 -5.503 1.00 0.00 C ATOM 0 H LEU A 50 1.734 -6.131 -8.139 1.00 0.00 H new ATOM 0 HA LEU A 50 0.022 -6.358 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.388 -3.766 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.044 -4.296 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 50 2.779 -5.022 -4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.028 -6.202 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.297 -4.585 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.339 -6.033 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.664 -7.478 -4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.017 -7.393 -5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.394 -6.785 -6.507 1.00 0.00 H new ATOM 738 N GLU A 51 -2.002 -5.594 -7.826 1.00 0.00 N ATOM 739 CA GLU A 51 -3.317 -5.159 -8.267 1.00 0.00 C ATOM 740 C GLU A 51 -4.405 -5.807 -7.411 1.00 0.00 C ATOM 741 O GLU A 51 -4.215 -6.900 -6.879 1.00 0.00 O ATOM 742 CB GLU A 51 -3.527 -5.472 -9.751 1.00 0.00 C ATOM 743 CG GLU A 51 -4.498 -4.475 -10.389 1.00 0.00 C ATOM 744 CD GLU A 51 -3.741 -3.349 -11.096 1.00 0.00 C ATOM 745 OE1 GLU A 51 -3.026 -2.611 -10.383 1.00 0.00 O ATOM 746 OE2 GLU A 51 -3.896 -3.251 -12.331 1.00 0.00 O ATOM 0 H GLU A 51 -1.833 -6.596 -7.911 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.382 -4.078 -8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.570 -5.438 -10.273 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.915 -6.485 -9.862 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.139 -4.992 -11.103 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.149 -4.055 -9.623 1.00 0.00 H new ATOM 751 N ASP A 52 -5.525 -5.105 -7.302 1.00 0.00 N ATOM 752 CA ASP A 52 -6.644 -5.598 -6.519 1.00 0.00 C ATOM 753 C ASP A 52 -6.964 -7.033 -6.941 1.00 0.00 C ATOM 754 O ASP A 52 -7.584 -7.782 -6.187 1.00 0.00 O ATOM 755 CB ASP A 52 -7.895 -4.748 -6.750 1.00 0.00 C ATOM 756 CG ASP A 52 -9.222 -5.479 -6.537 1.00 0.00 C ATOM 757 OD1 ASP A 52 -9.594 -5.648 -5.357 1.00 0.00 O ATOM 758 OD2 ASP A 52 -9.834 -5.851 -7.562 1.00 0.00 O ATOM 0 H ASP A 52 -5.680 -4.199 -7.744 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.365 -5.551 -5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.860 -3.888 -6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.870 -4.361 -7.769 1.00 0.00 H new ATOM 762 N GLY A 53 -6.527 -7.373 -8.144 1.00 0.00 N ATOM 763 CA GLY A 53 -6.758 -8.706 -8.676 1.00 0.00 C ATOM 764 C GLY A 53 -6.745 -9.752 -7.558 1.00 0.00 C ATOM 765 O GLY A 53 -7.750 -10.417 -7.315 1.00 0.00 O ATOM 0 H GLY A 53 -6.014 -6.749 -8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.717 -8.734 -9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.991 -8.946 -9.412 1.00 0.00 H new ATOM 769 N ARG A 54 -5.595 -9.864 -6.910 1.00 0.00 N ATOM 770 CA ARG A 54 -5.438 -10.817 -5.825 1.00 0.00 C ATOM 771 C ARG A 54 -5.256 -10.082 -4.496 1.00 0.00 C ATOM 772 O ARG A 54 -5.305 -8.854 -4.448 1.00 0.00 O ATOM 773 CB ARG A 54 -4.233 -11.730 -6.064 1.00 0.00 C ATOM 774 CG ARG A 54 -4.344 -12.442 -7.412 1.00 0.00 C ATOM 775 CD ARG A 54 -4.362 -13.962 -7.230 1.00 0.00 C ATOM 776 NE ARG A 54 -5.698 -14.497 -7.576 1.00 0.00 N ATOM 777 CZ ARG A 54 -6.102 -14.757 -8.828 1.00 0.00 C ATOM 778 NH1 ARG A 54 -5.277 -14.533 -9.859 1.00 0.00 N ATOM 779 NH2 ARG A 54 -7.332 -15.242 -9.047 1.00 0.00 N ATOM 0 H ARG A 54 -4.763 -9.311 -7.116 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.340 -11.427 -5.786 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.315 -11.142 -6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.166 -12.467 -5.264 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.253 -12.123 -7.922 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.505 -12.158 -8.047 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.602 -14.421 -7.862 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.115 -14.216 -6.199 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.352 -14.679 -6.815 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.341 -14.164 -9.692 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.585 -14.731 -10.811 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.960 -15.413 -8.262 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.640 -15.440 -9.999 1.00 0.00 H new ATOM 790 N THR A 55 -5.051 -10.866 -3.446 1.00 0.00 N ATOM 791 CA THR A 55 -4.862 -10.305 -2.119 1.00 0.00 C ATOM 792 C THR A 55 -3.382 -10.327 -1.735 1.00 0.00 C ATOM 793 O THR A 55 -2.517 -10.489 -2.596 1.00 0.00 O ATOM 794 CB THR A 55 -5.754 -11.081 -1.147 1.00 0.00 C ATOM 795 OG1 THR A 55 -5.439 -12.447 -1.402 1.00 0.00 O ATOM 796 CG2 THR A 55 -7.239 -10.969 -1.497 1.00 0.00 C ATOM 0 H THR A 55 -5.012 -11.884 -3.488 1.00 0.00 H new ATOM 0 HA THR A 55 -5.157 -9.256 -2.088 1.00 0.00 H new ATOM 0 HB THR A 55 -5.592 -10.713 -0.134 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.920 -12.750 -2.201 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.827 -11.538 -0.776 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.542 -9.922 -1.467 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.408 -11.367 -2.498 1.00 0.00 H new ATOM 804 N LEU A 56 -3.135 -10.164 -0.444 1.00 0.00 N ATOM 805 CA LEU A 56 -1.773 -10.163 0.062 1.00 0.00 C ATOM 806 C LEU A 56 -1.283 -11.607 0.198 1.00 0.00 C ATOM 807 O LEU A 56 -0.152 -11.918 -0.170 1.00 0.00 O ATOM 808 CB LEU A 56 -1.686 -9.360 1.362 1.00 0.00 C ATOM 809 CG LEU A 56 -2.708 -8.233 1.524 1.00 0.00 C ATOM 810 CD1 LEU A 56 -2.451 -7.440 2.807 1.00 0.00 C ATOM 811 CD2 LEU A 56 -2.730 -7.332 0.287 1.00 0.00 C ATOM 0 H LEU A 56 -3.855 -10.032 0.267 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.106 -9.664 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.798 -10.049 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.687 -8.931 1.434 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.698 -8.679 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.191 -6.645 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.526 -8.105 3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.453 -7.004 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.465 -6.539 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.744 -6.891 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.997 -7.923 -0.589 1.00 0.00 H new ATOM 822 N SER A 57 -2.160 -12.448 0.725 1.00 0.00 N ATOM 823 CA SER A 57 -1.831 -13.851 0.913 1.00 0.00 C ATOM 824 C SER A 57 -1.493 -14.495 -0.433 1.00 0.00 C ATOM 825 O SER A 57 -0.755 -15.477 -0.488 1.00 0.00 O ATOM 826 CB SER A 57 -2.982 -14.601 1.586 1.00 0.00 C ATOM 827 OG SER A 57 -4.203 -14.465 0.864 1.00 0.00 O ATOM 0 H SER A 57 -3.098 -12.185 1.028 1.00 0.00 H new ATOM 0 HA SER A 57 -0.961 -13.913 1.567 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.726 -15.657 1.670 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.117 -14.224 2.600 1.00 0.00 H new ATOM 0 HG SER A 57 -4.913 -14.959 1.325 1.00 0.00 H new ATOM 832 N ASP A 58 -2.050 -13.914 -1.486 1.00 0.00 N ATOM 833 CA ASP A 58 -1.817 -14.418 -2.829 1.00 0.00 C ATOM 834 C ASP A 58 -0.414 -14.013 -3.285 1.00 0.00 C ATOM 835 O ASP A 58 0.206 -14.707 -4.090 1.00 0.00 O ATOM 836 CB ASP A 58 -2.824 -13.832 -3.820 1.00 0.00 C ATOM 837 CG ASP A 58 -4.250 -14.369 -3.687 1.00 0.00 C ATOM 838 OD1 ASP A 58 -4.389 -15.611 -3.661 1.00 0.00 O ATOM 839 OD2 ASP A 58 -5.170 -13.526 -3.616 1.00 0.00 O ATOM 0 H ASP A 58 -2.662 -13.099 -1.436 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.924 -15.502 -2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.846 -12.749 -3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.471 -14.028 -4.832 1.00 0.00 H new ATOM 843 N TYR A 59 0.046 -12.892 -2.750 1.00 0.00 N ATOM 844 CA TYR A 59 1.365 -12.387 -3.092 1.00 0.00 C ATOM 845 C TYR A 59 2.362 -12.647 -1.962 1.00 0.00 C ATOM 846 O TYR A 59 3.518 -12.232 -2.040 1.00 0.00 O ATOM 847 CB TYR A 59 1.203 -10.876 -3.276 1.00 0.00 C ATOM 848 CG TYR A 59 0.286 -10.486 -4.437 1.00 0.00 C ATOM 849 CD1 TYR A 59 -0.156 -11.449 -5.321 1.00 0.00 C ATOM 850 CD2 TYR A 59 -0.100 -9.170 -4.599 1.00 0.00 C ATOM 851 CE1 TYR A 59 -1.020 -11.081 -6.413 1.00 0.00 C ATOM 852 CE2 TYR A 59 -0.964 -8.803 -5.691 1.00 0.00 C ATOM 853 CZ TYR A 59 -1.380 -9.776 -6.544 1.00 0.00 C ATOM 854 OH TYR A 59 -2.196 -9.429 -7.575 1.00 0.00 O ATOM 0 H TYR A 59 -0.471 -12.319 -2.083 1.00 0.00 H new ATOM 0 HA TYR A 59 1.744 -12.879 -3.988 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.808 -10.448 -2.355 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.185 -10.432 -3.437 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.146 -12.478 -5.194 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.246 -8.416 -3.907 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.374 -11.824 -7.112 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.274 -7.778 -5.829 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.788 -8.700 -7.293 1.00 0.00 H new ATOM 863 N ASN A 60 1.879 -13.331 -0.936 1.00 0.00 N ATOM 864 CA ASN A 60 2.714 -13.651 0.211 1.00 0.00 C ATOM 865 C ASN A 60 2.938 -12.386 1.041 1.00 0.00 C ATOM 866 O ASN A 60 3.821 -12.350 1.897 1.00 0.00 O ATOM 867 CB ASN A 60 4.082 -14.174 -0.233 1.00 0.00 C ATOM 868 CG ASN A 60 4.389 -15.525 0.417 1.00 0.00 C ATOM 869 OD1 ASN A 60 4.434 -15.664 1.629 1.00 0.00 O ATOM 870 ND2 ASN A 60 4.599 -16.509 -0.452 1.00 0.00 N ATOM 0 H ASN A 60 0.920 -13.673 -0.874 1.00 0.00 H new ATOM 0 HA ASN A 60 2.206 -14.419 0.795 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.102 -14.275 -1.318 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.855 -13.454 0.034 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.813 -17.448 -0.117 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.546 -16.325 -1.454 1.00 0.00 H new ATOM 876 N ILE A 61 2.124 -11.380 0.761 1.00 0.00 N ATOM 877 CA ILE A 61 2.223 -10.117 1.471 1.00 0.00 C ATOM 878 C ILE A 61 1.549 -10.252 2.838 1.00 0.00 C ATOM 879 O ILE A 61 0.335 -10.088 2.957 1.00 0.00 O ATOM 880 CB ILE A 61 1.660 -8.977 0.620 1.00 0.00 C ATOM 881 CG1 ILE A 61 2.591 -8.658 -0.553 1.00 0.00 C ATOM 882 CG2 ILE A 61 1.374 -7.742 1.476 1.00 0.00 C ATOM 883 CD1 ILE A 61 1.842 -7.920 -1.663 1.00 0.00 C ATOM 0 H ILE A 61 1.392 -11.414 0.051 1.00 0.00 H new ATOM 0 HA ILE A 61 3.268 -9.863 1.652 1.00 0.00 H new ATOM 0 HB ILE A 61 0.709 -9.303 0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.425 -8.048 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.014 -9.582 -0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.975 -6.947 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.646 -7.994 2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.297 -7.403 1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.527 -7.706 -2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.024 -8.542 -2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.441 -6.985 -1.272 1.00 0.00 H new ATOM 894 N GLN A 62 2.367 -10.550 3.838 1.00 0.00 N ATOM 895 CA GLN A 62 1.865 -10.708 5.193 1.00 0.00 C ATOM 896 C GLN A 62 3.010 -10.586 6.200 1.00 0.00 C ATOM 897 O GLN A 62 4.128 -11.023 5.931 1.00 0.00 O ATOM 898 CB GLN A 62 1.133 -12.042 5.354 1.00 0.00 C ATOM 899 CG GLN A 62 2.123 -13.208 5.402 1.00 0.00 C ATOM 900 CD GLN A 62 1.389 -14.551 5.375 1.00 0.00 C ATOM 901 OE1 GLN A 62 1.366 -15.255 4.379 1.00 0.00 O ATOM 902 NE2 GLN A 62 0.794 -14.864 6.522 1.00 0.00 N ATOM 0 H GLN A 62 3.373 -10.686 3.737 1.00 0.00 H new ATOM 0 HA GLN A 62 1.148 -9.911 5.390 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.539 -12.027 6.268 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.440 -12.183 4.525 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.806 -13.145 4.555 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.729 -13.139 6.305 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.853 -14.228 7.317 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.278 -15.740 6.607 1.00 0.00 H new ATOM 909 N LYS A 63 2.692 -9.991 7.340 1.00 0.00 N ATOM 910 CA LYS A 63 3.680 -9.806 8.389 1.00 0.00 C ATOM 911 C LYS A 63 4.657 -8.704 7.975 1.00 0.00 C ATOM 912 O LYS A 63 5.270 -8.779 6.911 1.00 0.00 O ATOM 913 CB LYS A 63 4.359 -11.135 8.727 1.00 0.00 C ATOM 914 CG LYS A 63 4.185 -11.480 10.206 1.00 0.00 C ATOM 915 CD LYS A 63 4.472 -10.265 11.090 1.00 0.00 C ATOM 916 CE LYS A 63 5.052 -10.693 12.440 1.00 0.00 C ATOM 917 NZ LYS A 63 6.191 -11.618 12.244 1.00 0.00 N ATOM 0 H LYS A 63 1.764 -9.631 7.560 1.00 0.00 H new ATOM 0 HA LYS A 63 3.200 -9.477 9.310 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.936 -11.930 8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.420 -11.076 8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.169 -11.832 10.384 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.856 -12.296 10.474 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.172 -9.600 10.584 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.553 -9.700 11.248 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.380 -9.815 12.996 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.280 -11.178 13.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.874 -11.497 13.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.845 -12.599 12.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.656 -11.409 11.337 1.00 0.00 H new ATOM 927 N GLU A 64 4.772 -7.705 8.838 1.00 0.00 N ATOM 928 CA GLU A 64 5.665 -6.588 8.575 1.00 0.00 C ATOM 929 C GLU A 64 6.098 -6.590 7.108 1.00 0.00 C ATOM 930 O GLU A 64 7.274 -6.781 6.805 1.00 0.00 O ATOM 931 CB GLU A 64 6.878 -6.626 9.505 1.00 0.00 C ATOM 932 CG GLU A 64 6.480 -6.280 10.941 1.00 0.00 C ATOM 933 CD GLU A 64 6.845 -7.415 11.900 1.00 0.00 C ATOM 934 OE1 GLU A 64 6.918 -8.565 11.416 1.00 0.00 O ATOM 935 OE2 GLU A 64 7.041 -7.107 13.096 1.00 0.00 O ATOM 0 H GLU A 64 4.262 -7.645 9.719 1.00 0.00 H new ATOM 0 HA GLU A 64 5.126 -5.662 8.773 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.330 -7.617 9.478 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.632 -5.922 9.153 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.981 -5.363 11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.408 -6.089 10.989 1.00 0.00 H new ATOM 940 N SER A 65 5.123 -6.372 6.236 1.00 0.00 N ATOM 941 CA SER A 65 5.389 -6.346 4.808 1.00 0.00 C ATOM 942 C SER A 65 5.815 -4.939 4.381 1.00 0.00 C ATOM 943 O SER A 65 5.390 -3.950 4.976 1.00 0.00 O ATOM 944 CB SER A 65 4.163 -6.793 4.011 1.00 0.00 C ATOM 945 OG SER A 65 3.418 -7.796 4.696 1.00 0.00 O ATOM 0 H SER A 65 4.149 -6.212 6.492 1.00 0.00 H new ATOM 0 HA SER A 65 6.199 -7.044 4.598 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.522 -5.933 3.819 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.481 -7.176 3.041 1.00 0.00 H new ATOM 0 HG SER A 65 4.002 -8.260 5.332 1.00 0.00 H new ATOM 950 N THR A 66 6.651 -4.895 3.353 1.00 0.00 N ATOM 951 CA THR A 66 7.138 -3.627 2.840 1.00 0.00 C ATOM 952 C THR A 66 6.881 -3.525 1.335 1.00 0.00 C ATOM 953 O THR A 66 7.431 -4.298 0.554 1.00 0.00 O ATOM 954 CB THR A 66 8.618 -3.504 3.213 1.00 0.00 C ATOM 955 OG1 THR A 66 8.632 -3.638 4.631 1.00 0.00 O ATOM 956 CG2 THR A 66 9.169 -2.098 2.966 1.00 0.00 C ATOM 0 H THR A 66 7.003 -5.717 2.862 1.00 0.00 H new ATOM 0 HA THR A 66 6.603 -2.789 3.286 1.00 0.00 H new ATOM 0 HB THR A 66 9.198 -4.227 2.639 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.554 -3.572 4.957 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.222 -2.065 3.247 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.067 -1.848 1.910 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.611 -1.378 3.565 1.00 0.00 H new ATOM 964 N LEU A 67 6.042 -2.564 0.976 1.00 0.00 N ATOM 965 CA LEU A 67 5.703 -2.352 -0.422 1.00 0.00 C ATOM 966 C LEU A 67 6.629 -1.284 -1.009 1.00 0.00 C ATOM 967 O LEU A 67 7.520 -0.785 -0.324 1.00 0.00 O ATOM 968 CB LEU A 67 4.216 -2.025 -0.569 1.00 0.00 C ATOM 969 CG LEU A 67 3.242 -3.112 -0.110 1.00 0.00 C ATOM 970 CD1 LEU A 67 3.777 -4.505 -0.447 1.00 0.00 C ATOM 971 CD2 LEU A 67 2.919 -2.967 1.378 1.00 0.00 C ATOM 0 H LEU A 67 5.587 -1.924 1.628 1.00 0.00 H new ATOM 0 HA LEU A 67 5.863 -3.265 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.007 -1.116 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.015 -1.804 -1.617 1.00 0.00 H new ATOM 0 HG LEU A 67 2.307 -2.985 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.066 -5.259 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.914 -4.591 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.733 -4.659 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.225 -3.752 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.837 -3.053 1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.465 -1.993 1.558 1.00 0.00 H new ATOM 982 N HIS A 68 6.385 -0.965 -2.272 1.00 0.00 N ATOM 983 CA HIS A 68 7.185 0.034 -2.959 1.00 0.00 C ATOM 984 C HIS A 68 6.271 0.952 -3.774 1.00 0.00 C ATOM 985 O HIS A 68 5.625 0.507 -4.722 1.00 0.00 O ATOM 986 CB HIS A 68 8.270 -0.629 -3.809 1.00 0.00 C ATOM 987 CG HIS A 68 9.411 -1.206 -3.007 1.00 0.00 C ATOM 988 ND1 HIS A 68 10.628 -0.563 -2.862 1.00 0.00 N ATOM 989 CD2 HIS A 68 9.509 -2.374 -2.307 1.00 0.00 C ATOM 990 CE1 HIS A 68 11.414 -1.317 -2.108 1.00 0.00 C ATOM 991 NE2 HIS A 68 10.719 -2.439 -1.766 1.00 0.00 N ATOM 0 H HIS A 68 5.645 -1.381 -2.837 1.00 0.00 H new ATOM 0 HA HIS A 68 7.706 0.653 -2.228 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.818 -1.424 -4.402 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.667 0.105 -4.510 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.733 -3.119 -2.210 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.427 -1.084 -1.816 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.071 -3.203 -1.189 1.00 0.00 H new ATOM 998 N LEU A 69 6.246 2.215 -3.375 1.00 0.00 N ATOM 999 CA LEU A 69 5.423 3.198 -4.058 1.00 0.00 C ATOM 1000 C LEU A 69 6.129 3.651 -5.336 1.00 0.00 C ATOM 1001 O LEU A 69 7.352 3.791 -5.359 1.00 0.00 O ATOM 1002 CB LEU A 69 5.067 4.348 -3.112 1.00 0.00 C ATOM 1003 CG LEU A 69 3.587 4.481 -2.745 1.00 0.00 C ATOM 1004 CD1 LEU A 69 3.349 5.710 -1.865 1.00 0.00 C ATOM 1005 CD2 LEU A 69 2.711 4.495 -3.999 1.00 0.00 C ATOM 0 H LEU A 69 6.782 2.580 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 69 4.473 2.756 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.639 4.226 -2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.393 5.282 -3.569 1.00 0.00 H new ATOM 0 HG LEU A 69 3.299 3.607 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.290 5.781 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.930 5.618 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.658 6.607 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.664 4.590 -3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.992 5.339 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.852 3.566 -4.552 1.00 0.00 H new