USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 581 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 60 ASN : amide:sc= -0.243 X(o=-0.73,f=-0.49) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.492 X(o=-0.73,f=-0.61) USER MOD Set 2.1: A 22 THR OG1 : rot 166:sc= 1.24 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.224 X(o=1,f=1.3) USER MOD Set 3.1: A 7 THR OG1 : rot 126:sc= 0.953 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.12 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0468 (180deg=-0.0468) USER MOD Single : A 1 MET N :NH3+ -179:sc= 1.2 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= 0.187 X(o=0.19,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc= -0.0158 (180deg=-0.147) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0835 USER MOD Single : A 14 THR OG1 : rot -89:sc= 0.718 USER MOD Single : A 20 SER OG : rot -30:sc= 0.0679 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 1.27 (180deg=1.23) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 1.03 (180deg=1.02) USER MOD Single : A 31 GLN : amide:sc= -0.395 X(o=-0.39,f=-0.14) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0.98 (180deg=0.944) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 41 ASN : amide:sc= -0.0561 K(o=-0.056,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.207 X(o=0.21,f=-0.21) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.374 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -86:sc= 1.38 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.292 K(o=-0.29,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.757 -2.116 3.807 1.00 0.00 N ATOM 2 CA MET A 1 -13.178 -2.329 2.471 1.00 0.00 C ATOM 3 C MET A 1 -11.999 -3.272 2.570 1.00 0.00 C ATOM 4 O MET A 1 -11.487 -3.534 3.652 1.00 0.00 O ATOM 5 CB MET A 1 -12.713 -1.011 1.829 1.00 0.00 C ATOM 6 CG MET A 1 -13.898 -0.138 1.448 1.00 0.00 C ATOM 7 SD MET A 1 -13.459 1.419 0.649 1.00 0.00 S ATOM 8 CE MET A 1 -15.086 1.884 0.012 1.00 0.00 C ATOM 0 H1 MET A 1 -14.577 -1.481 3.733 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.060 -3.028 4.203 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.043 -1.688 4.430 1.00 0.00 H new ATOM 0 HA MET A 1 -13.958 -2.758 1.841 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.069 -0.472 2.524 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.116 -1.226 0.943 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.549 -0.703 0.780 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.475 0.080 2.346 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.011 2.833 -0.519 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.443 1.113 -0.671 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.786 1.986 0.841 1.00 0.00 H new ATOM 18 N GLN A 2 -11.575 -3.830 1.443 1.00 0.00 N ATOM 19 CA GLN A 2 -10.427 -4.712 1.366 1.00 0.00 C ATOM 20 C GLN A 2 -9.755 -4.390 0.042 1.00 0.00 C ATOM 21 O GLN A 2 -10.432 -3.910 -0.866 1.00 0.00 O ATOM 22 CB GLN A 2 -10.812 -6.202 1.464 1.00 0.00 C ATOM 23 CG GLN A 2 -11.543 -6.749 0.228 1.00 0.00 C ATOM 24 CD GLN A 2 -11.768 -8.254 0.317 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.440 -8.751 1.218 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.240 -9.021 -0.619 1.00 0.00 N ATOM 0 H GLN A 2 -12.030 -3.677 0.543 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.757 -4.549 2.210 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.908 -6.789 1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.446 -6.345 2.339 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.503 -6.245 0.122 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.963 -6.521 -0.666 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.683 -8.605 -1.365 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.389 -10.030 -0.596 1.00 0.00 H new ATOM 35 N ILE A 3 -8.459 -4.627 -0.083 1.00 0.00 N ATOM 36 CA ILE A 3 -7.707 -4.399 -1.309 1.00 0.00 C ATOM 37 C ILE A 3 -6.667 -5.511 -1.389 1.00 0.00 C ATOM 38 O ILE A 3 -6.309 -6.119 -0.374 1.00 0.00 O ATOM 39 CB ILE A 3 -7.097 -2.975 -1.439 1.00 0.00 C ATOM 40 CG1 ILE A 3 -5.791 -2.717 -0.659 1.00 0.00 C ATOM 41 CG2 ILE A 3 -8.114 -1.849 -1.170 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.905 -2.908 0.848 1.00 0.00 C ATOM 0 H ILE A 3 -7.888 -4.991 0.680 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.383 -4.435 -2.164 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.813 -2.950 -2.491 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.018 -3.385 -1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.459 -1.698 -0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.623 -0.882 -1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.934 -1.921 -1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.506 -1.947 -0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.941 -2.706 1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.652 -2.221 1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.204 -3.934 1.063 1.00 0.00 H new ATOM 54 N PHE A 4 -6.212 -5.800 -2.599 1.00 0.00 N ATOM 55 CA PHE A 4 -5.212 -6.822 -2.854 1.00 0.00 C ATOM 56 C PHE A 4 -3.896 -6.086 -3.061 1.00 0.00 C ATOM 57 O PHE A 4 -3.890 -4.979 -3.601 1.00 0.00 O ATOM 58 CB PHE A 4 -5.627 -7.671 -4.062 1.00 0.00 C ATOM 59 CG PHE A 4 -7.002 -8.296 -3.894 1.00 0.00 C ATOM 60 CD1 PHE A 4 -7.192 -9.336 -2.965 1.00 0.00 C ATOM 61 CD2 PHE A 4 -8.106 -7.808 -4.619 1.00 0.00 C ATOM 62 CE1 PHE A 4 -8.473 -9.879 -2.762 1.00 0.00 C ATOM 63 CE2 PHE A 4 -9.384 -8.350 -4.409 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.571 -9.393 -3.490 1.00 0.00 C ATOM 0 H PHE A 4 -6.533 -5.324 -3.442 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.108 -7.523 -2.026 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.622 -7.049 -4.957 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.890 -8.459 -4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.351 -9.718 -2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.969 -7.014 -5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.613 -10.673 -2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.229 -7.961 -4.959 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.552 -9.819 -3.343 1.00 0.00 H new ATOM 74 N VAL A 5 -2.780 -6.687 -2.663 1.00 0.00 N ATOM 75 CA VAL A 5 -1.456 -6.100 -2.784 1.00 0.00 C ATOM 76 C VAL A 5 -0.517 -7.168 -3.333 1.00 0.00 C ATOM 77 O VAL A 5 -0.372 -8.231 -2.726 1.00 0.00 O ATOM 78 CB VAL A 5 -0.972 -5.548 -1.424 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.213 -4.604 -1.662 1.00 0.00 C ATOM 80 CG2 VAL A 5 -2.044 -4.780 -0.628 1.00 0.00 C ATOM 0 H VAL A 5 -2.773 -7.615 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.477 -5.252 -3.468 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.700 -6.419 -0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.561 -4.209 -0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.022 -5.151 -2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.101 -3.780 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.618 -4.429 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.389 -3.926 -1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.886 -5.441 -0.420 1.00 0.00 H new ATOM 90 N LYS A 6 0.059 -6.913 -4.507 1.00 0.00 N ATOM 91 CA LYS A 6 0.994 -7.797 -5.181 1.00 0.00 C ATOM 92 C LYS A 6 2.391 -7.492 -4.635 1.00 0.00 C ATOM 93 O LYS A 6 2.809 -6.333 -4.655 1.00 0.00 O ATOM 94 CB LYS A 6 0.922 -7.559 -6.700 1.00 0.00 C ATOM 95 CG LYS A 6 1.701 -8.624 -7.491 1.00 0.00 C ATOM 96 CD LYS A 6 0.898 -9.905 -7.755 1.00 0.00 C ATOM 97 CE LYS A 6 -0.152 -9.813 -8.869 1.00 0.00 C ATOM 98 NZ LYS A 6 0.419 -9.437 -10.179 1.00 0.00 N ATOM 0 H LYS A 6 -0.122 -6.055 -5.028 1.00 0.00 H new ATOM 0 HA LYS A 6 0.752 -8.844 -5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.121 -7.563 -7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.322 -6.572 -6.931 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.014 -8.199 -8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.608 -8.880 -6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.596 -10.705 -8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.397 -10.195 -6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.658 -10.774 -8.963 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.909 -9.081 -8.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.302 -9.556 -10.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.727 -8.444 -10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.235 -10.046 -10.390 1.00 0.00 H new ATOM 112 N THR A 7 3.095 -8.486 -4.110 1.00 0.00 N ATOM 113 CA THR A 7 4.444 -8.338 -3.563 1.00 0.00 C ATOM 114 C THR A 7 5.511 -8.493 -4.663 1.00 0.00 C ATOM 115 O THR A 7 5.209 -8.929 -5.778 1.00 0.00 O ATOM 116 CB THR A 7 4.649 -9.403 -2.477 1.00 0.00 C ATOM 117 OG1 THR A 7 4.441 -10.656 -3.072 1.00 0.00 O ATOM 118 CG2 THR A 7 3.686 -9.286 -1.291 1.00 0.00 C ATOM 0 H THR A 7 2.739 -9.440 -4.050 1.00 0.00 H new ATOM 0 HA THR A 7 4.551 -7.340 -3.139 1.00 0.00 H new ATOM 0 HB THR A 7 5.656 -9.267 -2.081 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.217 -11.230 -2.905 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.899 -10.076 -0.570 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.813 -8.315 -0.813 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.660 -9.384 -1.645 1.00 0.00 H new ATOM 126 N LEU A 8 6.783 -8.212 -4.341 1.00 0.00 N ATOM 127 CA LEU A 8 7.910 -8.349 -5.274 1.00 0.00 C ATOM 128 C LEU A 8 8.157 -9.825 -5.618 1.00 0.00 C ATOM 129 O LEU A 8 8.812 -10.124 -6.619 1.00 0.00 O ATOM 130 CB LEU A 8 9.200 -7.758 -4.674 1.00 0.00 C ATOM 131 CG LEU A 8 9.302 -6.224 -4.739 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.516 -5.757 -3.928 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.429 -5.728 -6.186 1.00 0.00 C ATOM 0 H LEU A 8 7.060 -7.880 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 8 7.648 -7.801 -6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.274 -8.069 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.056 -8.187 -5.196 1.00 0.00 H new ATOM 0 HG LEU A 8 8.387 -5.806 -4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.588 -4.670 -3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.402 -6.069 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.422 -6.199 -4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.499 -4.640 -6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.325 -6.152 -6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.553 -6.039 -6.755 1.00 0.00 H new ATOM 145 N THR A 9 7.643 -10.741 -4.797 1.00 0.00 N ATOM 146 CA THR A 9 7.727 -12.191 -4.934 1.00 0.00 C ATOM 147 C THR A 9 6.621 -12.705 -5.880 1.00 0.00 C ATOM 148 O THR A 9 6.500 -13.908 -6.115 1.00 0.00 O ATOM 149 CB THR A 9 7.637 -12.803 -3.519 1.00 0.00 C ATOM 150 OG1 THR A 9 6.566 -12.208 -2.805 1.00 0.00 O ATOM 151 CG2 THR A 9 8.913 -12.527 -2.723 1.00 0.00 C ATOM 0 H THR A 9 7.122 -10.469 -3.963 1.00 0.00 H new ATOM 0 HA THR A 9 8.673 -12.492 -5.385 1.00 0.00 H new ATOM 0 HB THR A 9 7.489 -13.877 -3.635 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.512 -12.601 -1.909 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.825 -12.968 -1.730 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.767 -12.965 -3.240 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.058 -11.451 -2.630 1.00 0.00 H new ATOM 159 N GLY A 10 5.787 -11.808 -6.422 1.00 0.00 N ATOM 160 CA GLY A 10 4.692 -12.105 -7.342 1.00 0.00 C ATOM 161 C GLY A 10 3.479 -12.668 -6.607 1.00 0.00 C ATOM 162 O GLY A 10 2.537 -13.174 -7.225 1.00 0.00 O ATOM 0 H GLY A 10 5.865 -10.811 -6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.407 -11.198 -7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.029 -12.821 -8.091 1.00 0.00 H new ATOM 166 N LYS A 11 3.537 -12.662 -5.280 1.00 0.00 N ATOM 167 CA LYS A 11 2.506 -13.150 -4.392 1.00 0.00 C ATOM 168 C LYS A 11 1.432 -12.086 -4.264 1.00 0.00 C ATOM 169 O LYS A 11 1.671 -10.930 -4.613 1.00 0.00 O ATOM 170 CB LYS A 11 3.149 -13.401 -3.022 1.00 0.00 C ATOM 171 CG LYS A 11 2.513 -14.572 -2.263 1.00 0.00 C ATOM 172 CD LYS A 11 3.024 -14.666 -0.821 1.00 0.00 C ATOM 173 CE LYS A 11 2.606 -13.471 0.044 1.00 0.00 C ATOM 174 NZ LYS A 11 3.102 -13.648 1.424 1.00 0.00 N ATOM 0 H LYS A 11 4.346 -12.298 -4.777 1.00 0.00 H new ATOM 0 HA LYS A 11 2.060 -14.069 -4.773 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.212 -13.599 -3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.067 -12.497 -2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.429 -14.454 -2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.730 -15.504 -2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.649 -15.584 -0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.112 -14.737 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.004 -12.549 -0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.520 -13.377 0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.814 -12.834 2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.702 -14.519 1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.140 -13.716 1.414 1.00 0.00 H new ATOM 188 N THR A 12 0.286 -12.441 -3.695 1.00 0.00 N ATOM 189 CA THR A 12 -0.786 -11.488 -3.493 1.00 0.00 C ATOM 190 C THR A 12 -1.316 -11.687 -2.080 1.00 0.00 C ATOM 191 O THR A 12 -1.472 -12.818 -1.617 1.00 0.00 O ATOM 192 CB THR A 12 -1.863 -11.621 -4.585 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.301 -11.722 -5.877 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.815 -10.420 -4.579 1.00 0.00 C ATOM 0 H THR A 12 0.080 -13.385 -3.367 1.00 0.00 H new ATOM 0 HA THR A 12 -0.426 -10.463 -3.586 1.00 0.00 H new ATOM 0 HB THR A 12 -2.409 -12.536 -4.354 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.018 -11.806 -6.540 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.563 -10.545 -5.362 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.311 -10.353 -3.610 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.249 -9.506 -4.761 1.00 0.00 H new ATOM 202 N ILE A 13 -1.575 -10.586 -1.379 1.00 0.00 N ATOM 203 CA ILE A 13 -2.085 -10.565 -0.011 1.00 0.00 C ATOM 204 C ILE A 13 -3.306 -9.647 0.000 1.00 0.00 C ATOM 205 O ILE A 13 -3.323 -8.662 -0.741 1.00 0.00 O ATOM 206 CB ILE A 13 -0.989 -10.037 0.951 1.00 0.00 C ATOM 207 CG1 ILE A 13 0.345 -10.806 0.804 1.00 0.00 C ATOM 208 CG2 ILE A 13 -1.458 -10.085 2.419 1.00 0.00 C ATOM 209 CD1 ILE A 13 1.508 -10.142 1.542 1.00 0.00 C ATOM 0 H ILE A 13 -1.430 -9.652 -1.761 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.362 -11.565 0.323 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.812 -8.999 0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.216 -11.820 1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.594 -10.889 -0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.666 -9.708 3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.348 -9.467 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.692 -11.114 2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.414 -10.731 1.399 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.663 -9.137 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.278 -10.083 2.606 1.00 0.00 H new ATOM 221 N THR A 14 -4.299 -9.947 0.834 1.00 0.00 N ATOM 222 CA THR A 14 -5.504 -9.145 0.972 1.00 0.00 C ATOM 223 C THR A 14 -5.409 -8.436 2.317 1.00 0.00 C ATOM 224 O THR A 14 -5.059 -9.060 3.324 1.00 0.00 O ATOM 225 CB THR A 14 -6.772 -10.013 0.935 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.720 -10.960 -0.107 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.018 -9.144 0.741 1.00 0.00 C ATOM 0 H THR A 14 -4.285 -10.767 1.440 1.00 0.00 H new ATOM 0 HA THR A 14 -5.576 -8.440 0.144 1.00 0.00 H new ATOM 0 HB THR A 14 -6.827 -10.535 1.890 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.096 -10.569 -0.923 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.904 -9.778 0.718 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.100 -8.436 1.566 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.938 -8.598 -0.199 1.00 0.00 H new ATOM 235 N LEU A 15 -5.676 -7.132 2.340 1.00 0.00 N ATOM 236 CA LEU A 15 -5.659 -6.317 3.550 1.00 0.00 C ATOM 237 C LEU A 15 -7.048 -5.703 3.678 1.00 0.00 C ATOM 238 O LEU A 15 -7.716 -5.502 2.662 1.00 0.00 O ATOM 239 CB LEU A 15 -4.561 -5.243 3.522 1.00 0.00 C ATOM 240 CG LEU A 15 -3.131 -5.756 3.270 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.191 -4.551 3.183 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.629 -6.717 4.353 1.00 0.00 C ATOM 0 H LEU A 15 -5.915 -6.603 1.501 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.423 -6.934 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.808 -4.517 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.574 -4.711 4.473 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.146 -6.321 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.173 -4.896 3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.504 -3.904 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.226 -3.994 4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.616 -7.039 4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.629 -6.210 5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.285 -7.587 4.400 1.00 0.00 H new ATOM 254 N GLU A 16 -7.484 -5.424 4.903 1.00 0.00 N ATOM 255 CA GLU A 16 -8.789 -4.844 5.211 1.00 0.00 C ATOM 256 C GLU A 16 -8.544 -3.395 5.623 1.00 0.00 C ATOM 257 O GLU A 16 -7.681 -3.142 6.465 1.00 0.00 O ATOM 258 CB GLU A 16 -9.495 -5.680 6.286 1.00 0.00 C ATOM 259 CG GLU A 16 -10.997 -5.376 6.298 1.00 0.00 C ATOM 260 CD GLU A 16 -11.720 -6.188 7.368 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.305 -7.244 7.046 1.00 0.00 O ATOM 262 OE2 GLU A 16 -11.711 -5.771 8.549 1.00 0.00 O ATOM 0 H GLU A 16 -6.922 -5.601 5.735 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.460 -4.852 4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.334 -6.741 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.066 -5.463 7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.153 -4.312 6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.423 -5.599 5.320 1.00 0.00 H new ATOM 269 N VAL A 17 -9.254 -2.452 5.009 1.00 0.00 N ATOM 270 CA VAL A 17 -9.134 -1.011 5.221 1.00 0.00 C ATOM 271 C VAL A 17 -10.494 -0.305 5.117 1.00 0.00 C ATOM 272 O VAL A 17 -11.524 -0.953 4.931 1.00 0.00 O ATOM 273 CB VAL A 17 -8.183 -0.462 4.127 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.761 -1.049 4.189 1.00 0.00 C ATOM 275 CG2 VAL A 17 -8.752 -0.679 2.702 1.00 0.00 C ATOM 0 H VAL A 17 -9.965 -2.683 4.315 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.748 -0.823 6.223 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.113 0.605 4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.154 -0.617 3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.313 -0.815 5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.808 -2.131 4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.054 -0.279 1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.894 -1.745 2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.709 -0.165 2.610 1.00 0.00 H new ATOM 285 N GLU A 18 -10.517 1.027 5.177 1.00 0.00 N ATOM 286 CA GLU A 18 -11.700 1.868 5.056 1.00 0.00 C ATOM 287 C GLU A 18 -11.326 3.144 4.288 1.00 0.00 C ATOM 288 O GLU A 18 -10.143 3.453 4.168 1.00 0.00 O ATOM 289 CB GLU A 18 -12.278 2.216 6.430 1.00 0.00 C ATOM 290 CG GLU A 18 -12.940 1.046 7.186 1.00 0.00 C ATOM 291 CD GLU A 18 -14.155 0.363 6.527 1.00 0.00 C ATOM 292 OE1 GLU A 18 -14.826 -0.432 7.227 1.00 0.00 O ATOM 293 OE2 GLU A 18 -14.478 0.548 5.327 1.00 0.00 O ATOM 0 H GLU A 18 -9.667 1.572 5.318 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.470 1.322 4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.478 2.620 7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.016 3.009 6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.179 0.284 7.358 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.251 1.412 8.164 1.00 0.00 H new ATOM 300 N PRO A 19 -12.281 3.913 3.740 1.00 0.00 N ATOM 301 CA PRO A 19 -11.986 5.138 2.992 1.00 0.00 C ATOM 302 C PRO A 19 -11.184 6.193 3.774 1.00 0.00 C ATOM 303 O PRO A 19 -10.341 6.880 3.186 1.00 0.00 O ATOM 304 CB PRO A 19 -13.353 5.703 2.582 1.00 0.00 C ATOM 305 CG PRO A 19 -14.299 4.510 2.683 1.00 0.00 C ATOM 306 CD PRO A 19 -13.711 3.654 3.786 1.00 0.00 C ATOM 0 HA PRO A 19 -11.344 4.893 2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.663 6.513 3.242 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.329 6.107 1.570 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.314 4.827 2.924 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.351 3.964 1.741 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.129 3.919 4.757 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.926 2.598 3.624 1.00 0.00 H new ATOM 314 N SER A 20 -11.449 6.349 5.072 1.00 0.00 N ATOM 315 CA SER A 20 -10.771 7.318 5.930 1.00 0.00 C ATOM 316 C SER A 20 -9.395 6.827 6.392 1.00 0.00 C ATOM 317 O SER A 20 -8.608 7.629 6.897 1.00 0.00 O ATOM 318 CB SER A 20 -11.692 7.657 7.112 1.00 0.00 C ATOM 319 OG SER A 20 -11.235 8.798 7.804 1.00 0.00 O ATOM 0 H SER A 20 -12.152 5.796 5.563 1.00 0.00 H new ATOM 0 HA SER A 20 -10.575 8.224 5.356 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.705 7.830 6.749 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.739 6.809 7.795 1.00 0.00 H new ATOM 0 HG SER A 20 -10.259 8.851 7.739 1.00 0.00 H new ATOM 325 N ASP A 21 -9.073 5.540 6.215 1.00 0.00 N ATOM 326 CA ASP A 21 -7.778 5.011 6.639 1.00 0.00 C ATOM 327 C ASP A 21 -6.648 5.755 5.935 1.00 0.00 C ATOM 328 O ASP A 21 -6.626 5.861 4.699 1.00 0.00 O ATOM 329 CB ASP A 21 -7.627 3.507 6.357 1.00 0.00 C ATOM 330 CG ASP A 21 -8.299 2.588 7.371 1.00 0.00 C ATOM 331 OD1 ASP A 21 -8.221 1.358 7.175 1.00 0.00 O ATOM 332 OD2 ASP A 21 -8.895 3.073 8.359 1.00 0.00 O ATOM 0 H ASP A 21 -9.690 4.852 5.783 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.724 5.159 7.718 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.038 3.295 5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.565 3.265 6.319 1.00 0.00 H new ATOM 337 N THR A 22 -5.722 6.310 6.721 1.00 0.00 N ATOM 338 CA THR A 22 -4.583 7.005 6.151 1.00 0.00 C ATOM 339 C THR A 22 -3.678 5.936 5.548 1.00 0.00 C ATOM 340 O THR A 22 -3.708 4.779 5.984 1.00 0.00 O ATOM 341 CB THR A 22 -3.836 7.847 7.199 1.00 0.00 C ATOM 342 OG1 THR A 22 -3.559 7.147 8.392 1.00 0.00 O ATOM 343 CG2 THR A 22 -4.613 9.116 7.519 1.00 0.00 C ATOM 0 H THR A 22 -5.744 6.289 7.741 1.00 0.00 H new ATOM 0 HA THR A 22 -4.912 7.713 5.391 1.00 0.00 H new ATOM 0 HB THR A 22 -2.876 8.099 6.749 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.898 7.645 8.917 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.068 9.698 8.262 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.733 9.708 6.611 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.595 8.852 7.913 1.00 0.00 H new ATOM 351 N ILE A 23 -2.819 6.319 4.602 1.00 0.00 N ATOM 352 CA ILE A 23 -1.886 5.393 3.960 1.00 0.00 C ATOM 353 C ILE A 23 -0.983 4.718 5.014 1.00 0.00 C ATOM 354 O ILE A 23 -0.420 3.654 4.768 1.00 0.00 O ATOM 355 CB ILE A 23 -1.126 6.144 2.847 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.062 6.639 1.718 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.000 5.287 2.260 1.00 0.00 C ATOM 358 CD1 ILE A 23 -2.824 5.549 0.953 1.00 0.00 C ATOM 0 H ILE A 23 -2.751 7.278 4.260 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.416 4.571 3.478 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.688 7.023 3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.788 7.328 2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.468 7.209 1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.514 5.847 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.708 5.028 3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.420 4.375 1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.448 6.010 0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.113 4.871 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.454 4.991 1.646 1.00 0.00 H new ATOM 370 N GLU A 24 -0.857 5.316 6.197 1.00 0.00 N ATOM 371 CA GLU A 24 -0.092 4.823 7.331 1.00 0.00 C ATOM 372 C GLU A 24 -0.641 3.445 7.710 1.00 0.00 C ATOM 373 O GLU A 24 0.127 2.496 7.838 1.00 0.00 O ATOM 374 CB GLU A 24 -0.243 5.806 8.499 1.00 0.00 C ATOM 375 CG GLU A 24 0.142 7.240 8.107 1.00 0.00 C ATOM 376 CD GLU A 24 -0.228 8.233 9.197 1.00 0.00 C ATOM 377 OE1 GLU A 24 -1.440 8.415 9.456 1.00 0.00 O ATOM 378 OE2 GLU A 24 0.687 8.915 9.721 1.00 0.00 O ATOM 0 H GLU A 24 -1.313 6.206 6.397 1.00 0.00 H new ATOM 0 HA GLU A 24 0.966 4.737 7.084 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.274 5.792 8.851 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.382 5.479 9.330 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.214 7.291 7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.361 7.512 7.179 1.00 0.00 H new ATOM 385 N ASN A 25 -1.972 3.324 7.789 1.00 0.00 N ATOM 386 CA ASN A 25 -2.688 2.095 8.132 1.00 0.00 C ATOM 387 C ASN A 25 -2.351 1.013 7.132 1.00 0.00 C ATOM 388 O ASN A 25 -2.059 -0.120 7.483 1.00 0.00 O ATOM 389 CB ASN A 25 -4.219 2.253 8.095 1.00 0.00 C ATOM 390 CG ASN A 25 -4.646 3.171 9.197 1.00 0.00 C ATOM 391 OD1 ASN A 25 -4.979 2.756 10.300 1.00 0.00 O ATOM 392 ND2 ASN A 25 -4.515 4.445 8.930 1.00 0.00 N ATOM 0 H ASN A 25 -2.599 4.108 7.609 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.377 1.845 9.146 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.532 2.653 7.131 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.700 1.281 8.208 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.693 5.139 9.656 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.235 4.744 7.996 1.00 0.00 H new ATOM 399 N VAL A 26 -2.422 1.362 5.855 1.00 0.00 N ATOM 400 CA VAL A 26 -2.158 0.478 4.734 1.00 0.00 C ATOM 401 C VAL A 26 -0.712 -0.027 4.814 1.00 0.00 C ATOM 402 O VAL A 26 -0.448 -1.223 4.682 1.00 0.00 O ATOM 403 CB VAL A 26 -2.505 1.233 3.436 1.00 0.00 C ATOM 404 CG1 VAL A 26 -2.589 0.241 2.271 1.00 0.00 C ATOM 405 CG2 VAL A 26 -3.840 2.005 3.571 1.00 0.00 C ATOM 0 H VAL A 26 -2.675 2.306 5.563 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.781 -0.416 4.755 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.717 1.960 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.834 0.777 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.629 -0.262 2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.363 -0.498 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.055 2.526 2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.645 1.304 3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.761 2.730 4.382 1.00 0.00 H new ATOM 415 N LYS A 27 0.233 0.884 5.054 1.00 0.00 N ATOM 416 CA LYS A 27 1.654 0.597 5.190 1.00 0.00 C ATOM 417 C LYS A 27 1.871 -0.302 6.418 1.00 0.00 C ATOM 418 O LYS A 27 2.720 -1.193 6.384 1.00 0.00 O ATOM 419 CB LYS A 27 2.369 1.948 5.271 1.00 0.00 C ATOM 420 CG LYS A 27 3.873 1.864 5.552 1.00 0.00 C ATOM 421 CD LYS A 27 4.543 3.246 5.534 1.00 0.00 C ATOM 422 CE LYS A 27 3.817 4.172 6.519 1.00 0.00 C ATOM 423 NZ LYS A 27 4.605 5.347 6.918 1.00 0.00 N ATOM 0 H LYS A 27 0.018 1.875 5.162 1.00 0.00 H new ATOM 0 HA LYS A 27 2.064 0.045 4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.218 2.480 4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.900 2.545 6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.034 1.396 6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.345 1.223 4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.594 3.157 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.509 3.667 4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.884 4.508 6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.553 3.603 7.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.156 5.804 7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.568 5.049 7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.649 6.020 6.127 1.00 0.00 H new ATOM 437 N ALA A 28 1.112 -0.096 7.493 1.00 0.00 N ATOM 438 CA ALA A 28 1.186 -0.882 8.712 1.00 0.00 C ATOM 439 C ALA A 28 0.639 -2.288 8.441 1.00 0.00 C ATOM 440 O ALA A 28 1.256 -3.280 8.829 1.00 0.00 O ATOM 441 CB ALA A 28 0.397 -0.171 9.823 1.00 0.00 C ATOM 0 H ALA A 28 0.411 0.644 7.536 1.00 0.00 H new ATOM 0 HA ALA A 28 2.220 -0.979 9.041 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.450 -0.758 10.740 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.825 0.816 9.999 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.645 -0.066 9.519 1.00 0.00 H new ATOM 447 N LYS A 29 -0.489 -2.388 7.737 1.00 0.00 N ATOM 448 CA LYS A 29 -1.153 -3.640 7.392 1.00 0.00 C ATOM 449 C LYS A 29 -0.269 -4.498 6.492 1.00 0.00 C ATOM 450 O LYS A 29 -0.317 -5.718 6.622 1.00 0.00 O ATOM 451 CB LYS A 29 -2.542 -3.342 6.813 1.00 0.00 C ATOM 452 CG LYS A 29 -3.509 -2.904 7.927 1.00 0.00 C ATOM 453 CD LYS A 29 -4.709 -2.143 7.356 1.00 0.00 C ATOM 454 CE LYS A 29 -5.714 -1.772 8.453 1.00 0.00 C ATOM 455 NZ LYS A 29 -6.454 -2.958 8.927 1.00 0.00 N ATOM 0 H LYS A 29 -0.981 -1.569 7.380 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.311 -4.241 8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.468 -2.558 6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.932 -4.229 6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.858 -3.780 8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.982 -2.272 8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.363 -1.238 6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.203 -2.754 6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.189 -1.311 9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.416 -1.032 8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.089 -2.683 9.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.014 -3.353 8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.781 -3.674 9.267 1.00 0.00 H new ATOM 469 N ILE A 30 0.547 -3.931 5.592 1.00 0.00 N ATOM 470 CA ILE A 30 1.414 -4.804 4.799 1.00 0.00 C ATOM 471 C ILE A 30 2.523 -5.308 5.733 1.00 0.00 C ATOM 472 O ILE A 30 2.872 -6.484 5.677 1.00 0.00 O ATOM 473 CB ILE A 30 1.933 -4.175 3.489 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.853 -5.148 2.720 1.00 0.00 C ATOM 475 CG2 ILE A 30 2.680 -2.854 3.691 1.00 0.00 C ATOM 476 CD1 ILE A 30 2.171 -6.456 2.298 1.00 0.00 C ATOM 0 H ILE A 30 0.623 -2.932 5.403 1.00 0.00 H new ATOM 0 HA ILE A 30 0.833 -5.646 4.424 1.00 0.00 H new ATOM 0 HB ILE A 30 1.035 -3.965 2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.232 -4.645 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.715 -5.385 3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.014 -2.474 2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.015 -2.127 4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.544 -3.019 4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.885 -7.083 1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.816 -6.984 3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.326 -6.232 1.646 1.00 0.00 H new ATOM 488 N GLN A 31 3.065 -4.465 6.626 1.00 0.00 N ATOM 489 CA GLN A 31 4.113 -4.882 7.560 1.00 0.00 C ATOM 490 C GLN A 31 3.604 -6.011 8.460 1.00 0.00 C ATOM 491 O GLN A 31 4.384 -6.884 8.835 1.00 0.00 O ATOM 492 CB GLN A 31 4.621 -3.693 8.384 1.00 0.00 C ATOM 493 CG GLN A 31 5.469 -2.762 7.520 1.00 0.00 C ATOM 494 CD GLN A 31 5.869 -1.508 8.306 1.00 0.00 C ATOM 495 OE1 GLN A 31 6.580 -1.552 9.308 1.00 0.00 O ATOM 496 NE2 GLN A 31 5.304 -0.373 7.930 1.00 0.00 N ATOM 0 H GLN A 31 2.791 -3.487 6.718 1.00 0.00 H new ATOM 0 HA GLN A 31 4.958 -5.262 6.986 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.776 -3.144 8.798 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.211 -4.053 9.227 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.363 -3.286 7.182 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.911 -2.476 6.629 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.716 -0.347 7.097 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.456 0.477 8.473 1.00 0.00 H new ATOM 505 N ASP A 32 2.305 -6.033 8.770 1.00 0.00 N ATOM 506 CA ASP A 32 1.633 -7.051 9.585 1.00 0.00 C ATOM 507 C ASP A 32 1.691 -8.439 8.917 1.00 0.00 C ATOM 508 O ASP A 32 1.441 -9.441 9.584 1.00 0.00 O ATOM 509 CB ASP A 32 0.186 -6.580 9.825 1.00 0.00 C ATOM 510 CG ASP A 32 -0.762 -7.586 10.475 1.00 0.00 C ATOM 511 OD1 ASP A 32 -1.427 -8.374 9.758 1.00 0.00 O ATOM 512 OD2 ASP A 32 -0.995 -7.463 11.697 1.00 0.00 O ATOM 0 H ASP A 32 1.663 -5.309 8.446 1.00 0.00 H new ATOM 0 HA ASP A 32 2.142 -7.165 10.542 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.217 -5.688 10.451 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.239 -6.282 8.866 1.00 0.00 H new ATOM 517 N LYS A 33 2.075 -8.520 7.630 1.00 0.00 N ATOM 518 CA LYS A 33 2.175 -9.763 6.857 1.00 0.00 C ATOM 519 C LYS A 33 3.470 -9.900 6.049 1.00 0.00 C ATOM 520 O LYS A 33 3.717 -10.988 5.533 1.00 0.00 O ATOM 521 CB LYS A 33 0.945 -9.882 5.938 1.00 0.00 C ATOM 522 CG LYS A 33 -0.336 -9.951 6.778 1.00 0.00 C ATOM 523 CD LYS A 33 -1.590 -10.310 5.979 1.00 0.00 C ATOM 524 CE LYS A 33 -2.718 -10.675 6.949 1.00 0.00 C ATOM 525 NZ LYS A 33 -3.133 -9.546 7.808 1.00 0.00 N ATOM 0 H LYS A 33 2.331 -7.696 7.087 1.00 0.00 H new ATOM 0 HA LYS A 33 2.201 -10.582 7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.901 -9.027 5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.030 -10.774 5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.199 -10.688 7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.491 -8.988 7.263 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.890 -9.469 5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.383 -11.147 5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.579 -11.026 6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.393 -11.503 7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.953 -9.829 8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.347 -9.280 8.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.391 -8.733 7.213 1.00 0.00 H new ATOM 539 N GLU A 34 4.312 -8.864 5.963 1.00 0.00 N ATOM 540 CA GLU A 34 5.575 -8.866 5.212 1.00 0.00 C ATOM 541 C GLU A 34 6.790 -8.587 6.109 1.00 0.00 C ATOM 542 O GLU A 34 7.918 -8.853 5.691 1.00 0.00 O ATOM 543 CB GLU A 34 5.485 -7.829 4.072 1.00 0.00 C ATOM 544 CG GLU A 34 6.550 -7.970 2.958 1.00 0.00 C ATOM 545 CD GLU A 34 6.682 -9.377 2.352 1.00 0.00 C ATOM 546 OE1 GLU A 34 7.599 -10.129 2.764 1.00 0.00 O ATOM 547 OE2 GLU A 34 5.867 -9.764 1.490 1.00 0.00 O ATOM 0 H GLU A 34 4.129 -7.974 6.427 1.00 0.00 H new ATOM 0 HA GLU A 34 5.723 -9.863 4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.497 -7.900 3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.566 -6.832 4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.311 -7.269 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.518 -7.674 3.363 1.00 0.00 H new ATOM 554 N GLY A 35 6.570 -8.049 7.315 1.00 0.00 N ATOM 555 CA GLY A 35 7.576 -7.717 8.317 1.00 0.00 C ATOM 556 C GLY A 35 8.846 -7.089 7.750 1.00 0.00 C ATOM 557 O GLY A 35 9.899 -7.725 7.772 1.00 0.00 O ATOM 0 H GLY A 35 5.627 -7.822 7.631 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.137 -7.030 9.041 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.844 -8.624 8.859 1.00 0.00 H new ATOM 561 N ILE A 36 8.749 -5.875 7.209 1.00 0.00 N ATOM 562 CA ILE A 36 9.866 -5.122 6.641 1.00 0.00 C ATOM 563 C ILE A 36 9.778 -3.670 7.122 1.00 0.00 C ATOM 564 O ILE A 36 8.699 -3.234 7.528 1.00 0.00 O ATOM 565 CB ILE A 36 9.944 -5.244 5.096 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.602 -5.242 4.332 1.00 0.00 C ATOM 567 CG2 ILE A 36 10.711 -6.528 4.758 1.00 0.00 C ATOM 568 CD1 ILE A 36 7.854 -3.909 4.372 1.00 0.00 C ATOM 0 H ILE A 36 7.863 -5.373 7.152 1.00 0.00 H new ATOM 0 HA ILE A 36 10.802 -5.552 6.997 1.00 0.00 H new ATOM 0 HB ILE A 36 10.446 -4.337 4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.790 -5.508 3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.960 -6.018 4.749 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.779 -6.637 3.676 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.714 -6.475 5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.186 -7.386 5.176 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.924 -3.997 3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.631 -3.648 5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.474 -3.131 3.927 1.00 0.00 H new ATOM 580 N PRO A 37 10.879 -2.907 7.074 1.00 0.00 N ATOM 581 CA PRO A 37 10.868 -1.530 7.527 1.00 0.00 C ATOM 582 C PRO A 37 9.941 -0.611 6.713 1.00 0.00 C ATOM 583 O PRO A 37 9.811 -0.793 5.502 1.00 0.00 O ATOM 584 CB PRO A 37 12.308 -1.027 7.367 1.00 0.00 C ATOM 585 CG PRO A 37 13.161 -2.282 7.226 1.00 0.00 C ATOM 586 CD PRO A 37 12.205 -3.300 6.626 1.00 0.00 C ATOM 0 HA PRO A 37 10.496 -1.503 8.551 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.405 -0.385 6.491 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.616 -0.437 8.230 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.022 -2.111 6.579 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.547 -2.614 8.190 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.266 -3.301 5.538 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.448 -4.309 6.959 1.00 0.00 H new ATOM 594 N PRO A 38 9.389 0.451 7.332 1.00 0.00 N ATOM 595 CA PRO A 38 8.547 1.440 6.661 1.00 0.00 C ATOM 596 C PRO A 38 9.319 2.246 5.597 1.00 0.00 C ATOM 597 O PRO A 38 8.726 3.063 4.885 1.00 0.00 O ATOM 598 CB PRO A 38 8.114 2.417 7.755 1.00 0.00 C ATOM 599 CG PRO A 38 8.322 1.678 9.065 1.00 0.00 C ATOM 600 CD PRO A 38 9.459 0.713 8.758 1.00 0.00 C ATOM 0 HA PRO A 38 7.722 0.936 6.158 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.707 3.331 7.722 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.071 2.709 7.630 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.584 2.361 9.873 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.420 1.149 9.374 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.422 1.146 9.028 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.353 -0.209 9.330 1.00 0.00 H new ATOM 608 N ASP A 39 10.654 2.191 5.604 1.00 0.00 N ATOM 609 CA ASP A 39 11.535 2.866 4.653 1.00 0.00 C ATOM 610 C ASP A 39 11.888 1.846 3.577 1.00 0.00 C ATOM 611 O ASP A 39 11.724 0.644 3.778 1.00 0.00 O ATOM 612 CB ASP A 39 12.801 3.405 5.338 1.00 0.00 C ATOM 613 CG ASP A 39 13.706 4.170 4.365 1.00 0.00 C ATOM 614 OD1 ASP A 39 14.948 4.100 4.495 1.00 0.00 O ATOM 615 OD2 ASP A 39 13.182 4.878 3.472 1.00 0.00 O ATOM 0 H ASP A 39 11.169 1.653 6.301 1.00 0.00 H new ATOM 0 HA ASP A 39 11.033 3.731 4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.516 4.063 6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.358 2.575 5.773 1.00 0.00 H new ATOM 620 N GLN A 40 12.413 2.303 2.445 1.00 0.00 N ATOM 621 CA GLN A 40 12.790 1.485 1.307 1.00 0.00 C ATOM 622 C GLN A 40 11.529 0.955 0.616 1.00 0.00 C ATOM 623 O GLN A 40 11.183 1.443 -0.459 1.00 0.00 O ATOM 624 CB GLN A 40 13.883 0.451 1.668 1.00 0.00 C ATOM 625 CG GLN A 40 14.353 -0.386 0.473 1.00 0.00 C ATOM 626 CD GLN A 40 15.629 -1.174 0.774 1.00 0.00 C ATOM 627 OE1 GLN A 40 15.886 -1.585 1.907 1.00 0.00 O ATOM 628 NE2 GLN A 40 16.469 -1.377 -0.229 1.00 0.00 N ATOM 0 H GLN A 40 12.593 3.295 2.293 1.00 0.00 H new ATOM 0 HA GLN A 40 13.293 2.087 0.550 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.739 0.974 2.094 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.500 -0.216 2.440 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.562 -1.078 0.185 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.528 0.270 -0.380 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.243 -1.031 -1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.342 -1.879 -0.069 1.00 0.00 H new ATOM 637 N ASN A 41 10.853 -0.030 1.195 1.00 0.00 N ATOM 638 CA ASN A 41 9.638 -0.656 0.676 1.00 0.00 C ATOM 639 C ASN A 41 8.500 0.363 0.567 1.00 0.00 C ATOM 640 O ASN A 41 8.212 1.051 1.547 1.00 0.00 O ATOM 641 CB ASN A 41 9.257 -1.757 1.662 1.00 0.00 C ATOM 642 CG ASN A 41 8.091 -2.608 1.203 1.00 0.00 C ATOM 643 OD1 ASN A 41 6.941 -2.191 1.238 1.00 0.00 O ATOM 644 ND2 ASN A 41 8.369 -3.841 0.819 1.00 0.00 N ATOM 0 H ASN A 41 11.150 -0.435 2.083 1.00 0.00 H new ATOM 0 HA ASN A 41 9.812 -1.056 -0.323 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.122 -2.400 1.827 1.00 0.00 H new ATOM 0 HB3 ASN A 41 9.009 -1.303 2.622 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.616 -4.471 0.542 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.337 -4.163 0.799 1.00 0.00 H new ATOM 651 N ARG A 42 7.788 0.408 -0.564 1.00 0.00 N ATOM 652 CA ARG A 42 6.704 1.326 -0.850 1.00 0.00 C ATOM 653 C ARG A 42 5.566 0.681 -1.649 1.00 0.00 C ATOM 654 O ARG A 42 5.807 -0.264 -2.401 1.00 0.00 O ATOM 655 CB ARG A 42 7.456 2.338 -1.681 1.00 0.00 C ATOM 656 CG ARG A 42 6.664 3.518 -2.190 1.00 0.00 C ATOM 657 CD ARG A 42 7.735 4.376 -2.840 1.00 0.00 C ATOM 658 NE ARG A 42 8.487 5.161 -1.842 1.00 0.00 N ATOM 659 CZ ARG A 42 8.143 6.335 -1.314 1.00 0.00 C ATOM 660 NH1 ARG A 42 7.289 7.127 -1.942 1.00 0.00 N ATOM 661 NH2 ARG A 42 8.678 6.688 -0.153 1.00 0.00 N ATOM 0 H ARG A 42 7.969 -0.231 -1.338 1.00 0.00 H new ATOM 0 HA ARG A 42 6.195 1.714 0.033 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.287 2.717 -1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.887 1.822 -2.539 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.898 3.215 -2.904 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.156 4.045 -1.382 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.423 3.739 -3.396 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.273 5.051 -3.560 1.00 0.00 H new ATOM 0 HE ARG A 42 9.368 4.760 -1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.890 6.840 -2.836 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.030 8.024 -1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.337 6.066 0.315 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.431 7.582 0.272 1.00 0.00 H new ATOM 675 N LEU A 43 4.349 1.226 -1.523 1.00 0.00 N ATOM 676 CA LEU A 43 3.122 0.768 -2.184 1.00 0.00 C ATOM 677 C LEU A 43 2.806 1.600 -3.430 1.00 0.00 C ATOM 678 O LEU A 43 3.169 2.773 -3.524 1.00 0.00 O ATOM 679 CB LEU A 43 1.908 0.933 -1.243 1.00 0.00 C ATOM 680 CG LEU A 43 1.748 -0.036 -0.056 1.00 0.00 C ATOM 681 CD1 LEU A 43 1.324 -1.422 -0.544 1.00 0.00 C ATOM 682 CD2 LEU A 43 2.967 -0.111 0.868 1.00 0.00 C ATOM 0 H LEU A 43 4.186 2.038 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 43 3.291 -0.275 -2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.939 1.945 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.007 0.860 -1.852 1.00 0.00 H new ATOM 0 HG LEU A 43 0.954 0.380 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.217 -2.091 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.372 -1.347 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.081 -1.817 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.769 -0.816 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.835 -0.446 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.167 0.875 1.288 1.00 0.00 H new ATOM 694 N ILE A 44 2.019 1.026 -4.343 1.00 0.00 N ATOM 695 CA ILE A 44 1.556 1.602 -5.604 1.00 0.00 C ATOM 696 C ILE A 44 0.089 1.156 -5.779 1.00 0.00 C ATOM 697 O ILE A 44 -0.259 0.090 -5.282 1.00 0.00 O ATOM 698 CB ILE A 44 2.439 1.029 -6.746 1.00 0.00 C ATOM 699 CG1 ILE A 44 3.972 1.076 -6.520 1.00 0.00 C ATOM 700 CG2 ILE A 44 2.119 1.609 -8.132 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.607 2.472 -6.493 1.00 0.00 C ATOM 0 H ILE A 44 1.664 0.079 -4.209 1.00 0.00 H new ATOM 0 HA ILE A 44 1.624 2.690 -5.619 1.00 0.00 H new ATOM 0 HB ILE A 44 2.152 -0.022 -6.717 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.195 0.579 -5.576 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.453 0.495 -7.307 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.777 1.159 -8.875 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.082 1.391 -8.387 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.270 2.688 -8.119 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.681 2.380 -6.329 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.427 2.972 -7.445 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.165 3.057 -5.686 1.00 0.00 H new ATOM 713 N PHE A 45 -0.765 1.903 -6.486 1.00 0.00 N ATOM 714 CA PHE A 45 -2.182 1.606 -6.778 1.00 0.00 C ATOM 715 C PHE A 45 -2.382 2.054 -8.218 1.00 0.00 C ATOM 716 O PHE A 45 -2.266 3.247 -8.500 1.00 0.00 O ATOM 717 CB PHE A 45 -3.151 2.411 -5.893 1.00 0.00 C ATOM 718 CG PHE A 45 -4.531 2.546 -6.517 1.00 0.00 C ATOM 719 CD1 PHE A 45 -4.946 3.780 -7.054 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.341 1.409 -6.683 1.00 0.00 C ATOM 721 CE1 PHE A 45 -6.172 3.883 -7.730 1.00 0.00 C ATOM 722 CE2 PHE A 45 -6.558 1.510 -7.383 1.00 0.00 C ATOM 723 CZ PHE A 45 -6.979 2.747 -7.902 1.00 0.00 C ATOM 0 H PHE A 45 -0.472 2.789 -6.898 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.388 0.551 -6.598 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.241 1.925 -4.922 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.737 3.404 -5.715 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.318 4.652 -6.945 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.030 0.459 -6.274 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.495 4.838 -8.118 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.172 0.632 -7.522 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.918 2.823 -8.430 1.00 0.00 H new ATOM 733 N ALA A 46 -2.733 1.133 -9.118 1.00 0.00 N ATOM 734 CA ALA A 46 -2.955 1.413 -10.535 1.00 0.00 C ATOM 735 C ALA A 46 -1.812 2.271 -11.097 1.00 0.00 C ATOM 736 O ALA A 46 -2.041 3.215 -11.855 1.00 0.00 O ATOM 737 CB ALA A 46 -4.347 2.032 -10.732 1.00 0.00 C ATOM 0 H ALA A 46 -2.873 0.152 -8.875 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.943 0.486 -11.108 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.507 2.239 -11.790 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.108 1.336 -10.379 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.415 2.961 -10.167 1.00 0.00 H new ATOM 743 N GLY A 47 -0.580 1.972 -10.678 1.00 0.00 N ATOM 744 CA GLY A 47 0.629 2.670 -11.083 1.00 0.00 C ATOM 745 C GLY A 47 0.914 3.950 -10.291 1.00 0.00 C ATOM 746 O GLY A 47 2.057 4.405 -10.324 1.00 0.00 O ATOM 0 H GLY A 47 -0.397 1.210 -10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.478 1.994 -10.976 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.552 2.921 -12.141 1.00 0.00 H new ATOM 750 N LYS A 48 -0.056 4.550 -9.590 1.00 0.00 N ATOM 751 CA LYS A 48 0.125 5.769 -8.811 1.00 0.00 C ATOM 752 C LYS A 48 1.034 5.437 -7.647 1.00 0.00 C ATOM 753 O LYS A 48 0.854 4.414 -6.990 1.00 0.00 O ATOM 754 CB LYS A 48 -1.232 6.321 -8.350 1.00 0.00 C ATOM 755 CG LYS A 48 -1.088 7.676 -7.630 1.00 0.00 C ATOM 756 CD LYS A 48 -2.290 8.591 -7.893 1.00 0.00 C ATOM 757 CE LYS A 48 -2.176 9.200 -9.297 1.00 0.00 C ATOM 758 NZ LYS A 48 -3.449 9.790 -9.757 1.00 0.00 N ATOM 0 H LYS A 48 -1.009 4.188 -9.552 1.00 0.00 H new ATOM 0 HA LYS A 48 0.584 6.553 -9.413 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.889 6.436 -9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.707 5.603 -7.681 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.986 7.509 -6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.175 8.170 -7.964 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.217 8.024 -7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.328 9.382 -7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.402 9.967 -9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.860 8.429 -10.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.323 10.189 -10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.183 9.054 -9.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.739 10.544 -9.102 1.00 0.00 H new ATOM 772 N GLN A 49 2.034 6.278 -7.439 1.00 0.00 N ATOM 773 CA GLN A 49 3.021 6.119 -6.388 1.00 0.00 C ATOM 774 C GLN A 49 2.379 6.599 -5.094 1.00 0.00 C ATOM 775 O GLN A 49 1.881 7.728 -5.048 1.00 0.00 O ATOM 776 CB GLN A 49 4.295 6.910 -6.726 1.00 0.00 C ATOM 777 CG GLN A 49 4.942 6.511 -8.066 1.00 0.00 C ATOM 778 CD GLN A 49 4.415 7.312 -9.261 1.00 0.00 C ATOM 779 OE1 GLN A 49 4.909 8.391 -9.583 1.00 0.00 O ATOM 780 NE2 GLN A 49 3.422 6.820 -9.987 1.00 0.00 N ATOM 0 H GLN A 49 2.184 7.109 -8.011 1.00 0.00 H new ATOM 0 HA GLN A 49 3.324 5.077 -6.283 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.054 7.973 -6.752 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.022 6.768 -5.926 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.021 6.648 -7.994 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.766 5.450 -8.244 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.000 5.926 -9.735 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.079 7.335 -10.798 1.00 0.00 H new ATOM 789 N LEU A 50 2.355 5.746 -4.069 1.00 0.00 N ATOM 790 CA LEU A 50 1.753 6.062 -2.783 1.00 0.00 C ATOM 791 C LEU A 50 2.814 6.110 -1.699 1.00 0.00 C ATOM 792 O LEU A 50 3.825 5.408 -1.757 1.00 0.00 O ATOM 793 CB LEU A 50 0.737 4.974 -2.384 1.00 0.00 C ATOM 794 CG LEU A 50 -0.313 4.599 -3.443 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.161 3.448 -2.907 1.00 0.00 C ATOM 796 CD2 LEU A 50 -1.218 5.778 -3.807 1.00 0.00 C ATOM 0 H LEU A 50 2.758 4.810 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 50 1.261 7.030 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.289 4.073 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.214 5.307 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 50 0.213 4.304 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.910 3.172 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.521 2.590 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.658 3.759 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.942 5.462 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.745 6.121 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.613 6.592 -4.206 1.00 0.00 H new ATOM 808 N GLU A 51 2.551 6.920 -0.685 1.00 0.00 N ATOM 809 CA GLU A 51 3.343 7.140 0.501 1.00 0.00 C ATOM 810 C GLU A 51 2.412 7.860 1.475 1.00 0.00 C ATOM 811 O GLU A 51 1.333 8.332 1.090 1.00 0.00 O ATOM 812 CB GLU A 51 4.621 7.930 0.201 1.00 0.00 C ATOM 813 CG GLU A 51 4.436 9.450 0.120 1.00 0.00 C ATOM 814 CD GLU A 51 5.640 10.206 -0.456 1.00 0.00 C ATOM 815 OE1 GLU A 51 5.759 11.425 -0.177 1.00 0.00 O ATOM 816 OE2 GLU A 51 6.464 9.649 -1.219 1.00 0.00 O ATOM 0 H GLU A 51 1.703 7.486 -0.677 1.00 0.00 H new ATOM 0 HA GLU A 51 3.706 6.205 0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.357 7.709 0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.035 7.578 -0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.561 9.665 -0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.227 9.832 1.119 1.00 0.00 H new ATOM 823 N ASP A 52 2.815 7.942 2.735 1.00 0.00 N ATOM 824 CA ASP A 52 2.022 8.603 3.758 1.00 0.00 C ATOM 825 C ASP A 52 1.900 10.108 3.525 1.00 0.00 C ATOM 826 O ASP A 52 2.752 10.756 2.908 1.00 0.00 O ATOM 827 CB ASP A 52 2.532 8.262 5.159 1.00 0.00 C ATOM 828 CG ASP A 52 4.038 8.451 5.265 1.00 0.00 C ATOM 829 OD1 ASP A 52 4.550 9.580 5.423 1.00 0.00 O ATOM 830 OD2 ASP A 52 4.752 7.430 5.145 1.00 0.00 O ATOM 0 H ASP A 52 3.695 7.554 3.074 1.00 0.00 H new ATOM 0 HA ASP A 52 1.007 8.213 3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.032 8.894 5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.276 7.230 5.400 1.00 0.00 H new ATOM 835 N GLY A 53 0.763 10.639 3.967 1.00 0.00 N ATOM 836 CA GLY A 53 0.349 12.028 3.885 1.00 0.00 C ATOM 837 C GLY A 53 -1.118 12.187 3.464 1.00 0.00 C ATOM 838 O GLY A 53 -1.681 13.257 3.694 1.00 0.00 O ATOM 0 H GLY A 53 0.058 10.062 4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.498 12.505 4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.986 12.551 3.171 1.00 0.00 H new ATOM 842 N ARG A 54 -1.761 11.155 2.895 1.00 0.00 N ATOM 843 CA ARG A 54 -3.158 11.151 2.431 1.00 0.00 C ATOM 844 C ARG A 54 -3.919 9.919 2.949 1.00 0.00 C ATOM 845 O ARG A 54 -3.420 9.218 3.836 1.00 0.00 O ATOM 846 CB ARG A 54 -3.205 11.222 0.911 1.00 0.00 C ATOM 847 CG ARG A 54 -2.169 12.177 0.315 1.00 0.00 C ATOM 848 CD ARG A 54 -2.552 12.394 -1.131 1.00 0.00 C ATOM 849 NE ARG A 54 -1.386 12.782 -1.937 1.00 0.00 N ATOM 850 CZ ARG A 54 -1.327 12.962 -3.257 1.00 0.00 C ATOM 851 NH1 ARG A 54 -2.392 12.760 -4.016 1.00 0.00 N ATOM 852 NH2 ARG A 54 -0.182 13.344 -3.817 1.00 0.00 N ATOM 0 H ARG A 54 -1.300 10.259 2.739 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.654 12.032 2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.045 10.224 0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.201 11.538 0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.158 13.122 0.858 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.167 11.755 0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.989 11.481 -1.535 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.316 13.169 -1.195 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.517 12.932 -1.425 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.271 12.463 -3.593 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.334 12.901 -5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.643 13.497 -3.237 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.129 13.484 -4.826 1.00 0.00 H new ATOM 866 N THR A 55 -5.091 9.633 2.387 1.00 0.00 N ATOM 867 CA THR A 55 -5.965 8.510 2.715 1.00 0.00 C ATOM 868 C THR A 55 -6.274 7.700 1.460 1.00 0.00 C ATOM 869 O THR A 55 -5.918 8.080 0.338 1.00 0.00 O ATOM 870 CB THR A 55 -7.309 9.030 3.261 1.00 0.00 C ATOM 871 OG1 THR A 55 -7.853 9.904 2.295 1.00 0.00 O ATOM 872 CG2 THR A 55 -7.229 9.744 4.598 1.00 0.00 C ATOM 0 H THR A 55 -5.479 10.215 1.645 1.00 0.00 H new ATOM 0 HA THR A 55 -5.456 7.894 3.456 1.00 0.00 H new ATOM 0 HB THR A 55 -7.935 8.157 3.444 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.712 10.251 2.615 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.225 10.071 4.896 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.830 9.064 5.351 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.574 10.611 4.509 1.00 0.00 H new ATOM 880 N LEU A 56 -6.977 6.585 1.656 1.00 0.00 N ATOM 881 CA LEU A 56 -7.413 5.710 0.582 1.00 0.00 C ATOM 882 C LEU A 56 -8.420 6.459 -0.292 1.00 0.00 C ATOM 883 O LEU A 56 -8.354 6.368 -1.521 1.00 0.00 O ATOM 884 CB LEU A 56 -8.077 4.466 1.194 1.00 0.00 C ATOM 885 CG LEU A 56 -7.088 3.290 1.284 1.00 0.00 C ATOM 886 CD1 LEU A 56 -7.162 2.598 2.636 1.00 0.00 C ATOM 887 CD2 LEU A 56 -7.360 2.288 0.164 1.00 0.00 C ATOM 0 H LEU A 56 -7.261 6.264 2.582 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.562 5.405 -0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.453 4.704 2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.936 4.176 0.590 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.081 3.692 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.450 1.773 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.920 3.312 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.169 2.212 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.655 1.460 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.377 1.907 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.243 2.780 -0.801 1.00 0.00 H new ATOM 899 N SER A 57 -9.344 7.205 0.330 1.00 0.00 N ATOM 900 CA SER A 57 -10.345 7.935 -0.438 1.00 0.00 C ATOM 901 C SER A 57 -9.702 9.096 -1.198 1.00 0.00 C ATOM 902 O SER A 57 -10.068 9.330 -2.352 1.00 0.00 O ATOM 903 CB SER A 57 -11.494 8.402 0.461 1.00 0.00 C ATOM 904 OG SER A 57 -12.714 8.440 -0.256 1.00 0.00 O ATOM 0 H SER A 57 -9.414 7.314 1.342 1.00 0.00 H new ATOM 0 HA SER A 57 -10.773 7.259 -1.178 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.590 7.730 1.314 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.270 9.392 0.859 1.00 0.00 H new ATOM 0 HG SER A 57 -13.434 8.739 0.338 1.00 0.00 H new ATOM 910 N ASP A 58 -8.726 9.792 -0.601 1.00 0.00 N ATOM 911 CA ASP A 58 -8.047 10.918 -1.246 1.00 0.00 C ATOM 912 C ASP A 58 -7.314 10.441 -2.484 1.00 0.00 C ATOM 913 O ASP A 58 -7.355 11.115 -3.515 1.00 0.00 O ATOM 914 CB ASP A 58 -6.999 11.577 -0.340 1.00 0.00 C ATOM 915 CG ASP A 58 -7.552 12.559 0.687 1.00 0.00 C ATOM 916 OD1 ASP A 58 -6.732 13.178 1.394 1.00 0.00 O ATOM 917 OD2 ASP A 58 -8.788 12.768 0.769 1.00 0.00 O ATOM 0 H ASP A 58 -8.387 9.590 0.340 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.826 11.643 -1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.454 10.794 0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.278 12.100 -0.967 1.00 0.00 H new ATOM 922 N TYR A 59 -6.614 9.303 -2.398 1.00 0.00 N ATOM 923 CA TYR A 59 -5.890 8.780 -3.547 1.00 0.00 C ATOM 924 C TYR A 59 -6.846 8.155 -4.576 1.00 0.00 C ATOM 925 O TYR A 59 -6.397 7.702 -5.634 1.00 0.00 O ATOM 926 CB TYR A 59 -4.824 7.778 -3.087 1.00 0.00 C ATOM 927 CG TYR A 59 -3.471 8.394 -2.821 1.00 0.00 C ATOM 928 CD1 TYR A 59 -2.715 8.867 -3.907 1.00 0.00 C ATOM 929 CD2 TYR A 59 -2.937 8.438 -1.522 1.00 0.00 C ATOM 930 CE1 TYR A 59 -1.417 9.356 -3.705 1.00 0.00 C ATOM 931 CE2 TYR A 59 -1.634 8.923 -1.312 1.00 0.00 C ATOM 932 CZ TYR A 59 -0.864 9.373 -2.405 1.00 0.00 C ATOM 933 OH TYR A 59 0.404 9.815 -2.199 1.00 0.00 O ATOM 0 H TYR A 59 -6.538 8.738 -1.552 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.388 9.610 -4.045 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.172 7.286 -2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.716 7.005 -3.847 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.136 8.854 -4.902 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.528 8.099 -0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.840 9.720 -4.542 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.223 8.951 -0.314 1.00 0.00 H new ATOM 0 HH TYR A 59 0.619 9.758 -1.245 1.00 0.00 H new ATOM 943 N ASN A 60 -8.153 8.169 -4.299 1.00 0.00 N ATOM 944 CA ASN A 60 -9.231 7.621 -5.103 1.00 0.00 C ATOM 945 C ASN A 60 -8.898 6.178 -5.483 1.00 0.00 C ATOM 946 O ASN A 60 -8.766 5.815 -6.658 1.00 0.00 O ATOM 947 CB ASN A 60 -9.598 8.528 -6.282 1.00 0.00 C ATOM 948 CG ASN A 60 -10.851 8.010 -6.918 1.00 0.00 C ATOM 949 OD1 ASN A 60 -11.885 7.851 -6.280 1.00 0.00 O ATOM 950 ND2 ASN A 60 -10.721 7.578 -8.150 1.00 0.00 N ATOM 0 H ASN A 60 -8.503 8.597 -3.442 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.147 7.589 -4.513 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.745 9.552 -5.939 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.786 8.549 -7.009 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.495 7.093 -8.605 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.846 7.727 -8.653 1.00 0.00 H new ATOM 957 N ILE A 61 -8.735 5.365 -4.446 1.00 0.00 N ATOM 958 CA ILE A 61 -8.407 3.952 -4.491 1.00 0.00 C ATOM 959 C ILE A 61 -9.710 3.209 -4.220 1.00 0.00 C ATOM 960 O ILE A 61 -10.234 3.240 -3.104 1.00 0.00 O ATOM 961 CB ILE A 61 -7.323 3.629 -3.440 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.053 4.475 -3.660 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.013 2.119 -3.425 1.00 0.00 C ATOM 964 CD1 ILE A 61 -4.909 4.207 -2.677 1.00 0.00 C ATOM 0 H ILE A 61 -8.836 5.702 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.996 3.652 -5.455 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.713 3.897 -2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.689 4.298 -4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.323 5.529 -3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.247 1.912 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.918 1.564 -3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.654 1.811 -4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.064 4.852 -2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.246 4.414 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.602 3.164 -2.752 1.00 0.00 H new ATOM 976 N GLN A 62 -10.274 2.602 -5.261 1.00 0.00 N ATOM 977 CA GLN A 62 -11.510 1.849 -5.133 1.00 0.00 C ATOM 978 C GLN A 62 -11.198 0.561 -4.379 1.00 0.00 C ATOM 979 O GLN A 62 -10.087 0.031 -4.487 1.00 0.00 O ATOM 980 CB GLN A 62 -12.078 1.466 -6.515 1.00 0.00 C ATOM 981 CG GLN A 62 -12.641 2.631 -7.340 1.00 0.00 C ATOM 982 CD GLN A 62 -11.550 3.557 -7.862 1.00 0.00 C ATOM 983 OE1 GLN A 62 -10.912 3.298 -8.878 1.00 0.00 O ATOM 984 NE2 GLN A 62 -11.286 4.653 -7.180 1.00 0.00 N ATOM 0 H GLN A 62 -9.889 2.620 -6.205 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.244 2.463 -4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.290 0.982 -7.092 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.868 0.728 -6.373 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.210 2.235 -8.181 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.336 3.204 -6.726 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.816 4.868 -6.336 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.552 5.286 -7.496 1.00 0.00 H new ATOM 993 N LYS A 63 -12.185 0.032 -3.658 1.00 0.00 N ATOM 994 CA LYS A 63 -12.019 -1.217 -2.936 1.00 0.00 C ATOM 995 C LYS A 63 -11.732 -2.334 -3.945 1.00 0.00 C ATOM 996 O LYS A 63 -11.996 -2.218 -5.149 1.00 0.00 O ATOM 997 CB LYS A 63 -13.225 -1.502 -2.034 1.00 0.00 C ATOM 998 CG LYS A 63 -14.529 -1.747 -2.801 1.00 0.00 C ATOM 999 CD LYS A 63 -15.647 -2.143 -1.834 1.00 0.00 C ATOM 1000 CE LYS A 63 -16.749 -2.852 -2.623 1.00 0.00 C ATOM 1001 NZ LYS A 63 -17.675 -3.585 -1.746 1.00 0.00 N ATOM 0 H LYS A 63 -13.108 0.454 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.167 -1.152 -2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.008 -2.375 -1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.366 -0.660 -1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.813 -0.847 -3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.382 -2.535 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.258 -2.799 -1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.047 -1.259 -1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.306 -2.118 -3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.297 -3.545 -3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.405 -4.050 -2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.149 -4.303 -1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.127 -2.921 -1.086 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.221 -3.444 -3.434 1.00 0.00 N ATOM 1016 CA GLU A 64 -10.820 -4.631 -4.178 1.00 0.00 C ATOM 1017 C GLU A 64 -9.833 -4.251 -5.301 1.00 0.00 C ATOM 1018 O GLU A 64 -9.855 -4.813 -6.399 1.00 0.00 O ATOM 1019 CB GLU A 64 -12.038 -5.459 -4.626 1.00 0.00 C ATOM 1020 CG GLU A 64 -12.796 -6.120 -3.463 1.00 0.00 C ATOM 1021 CD GLU A 64 -14.121 -5.430 -3.123 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -14.262 -4.943 -1.982 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -15.037 -5.404 -3.987 1.00 0.00 O ATOM 0 H GLU A 64 -11.066 -3.547 -2.431 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.270 -5.306 -3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.724 -4.813 -5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.706 -6.233 -5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.993 -7.162 -3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.159 -6.120 -2.579 1.00 0.00 H new ATOM 1030 N SER A 65 -8.996 -3.236 -5.055 1.00 0.00 N ATOM 1031 CA SER A 65 -7.979 -2.748 -5.979 1.00 0.00 C ATOM 1032 C SER A 65 -6.812 -3.743 -6.034 1.00 0.00 C ATOM 1033 O SER A 65 -6.873 -4.810 -5.418 1.00 0.00 O ATOM 1034 CB SER A 65 -7.563 -1.323 -5.600 1.00 0.00 C ATOM 1035 OG SER A 65 -7.689 -1.060 -4.221 1.00 0.00 O ATOM 0 H SER A 65 -9.013 -2.718 -4.176 1.00 0.00 H new ATOM 0 HA SER A 65 -8.379 -2.685 -6.991 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.528 -1.160 -5.902 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.173 -0.612 -6.157 1.00 0.00 H new ATOM 0 HG SER A 65 -8.606 -0.776 -4.025 1.00 0.00 H new ATOM 1041 N THR A 66 -5.755 -3.450 -6.795 1.00 0.00 N ATOM 1042 CA THR A 66 -4.624 -4.354 -6.914 1.00 0.00 C ATOM 1043 C THR A 66 -3.422 -3.448 -6.845 1.00 0.00 C ATOM 1044 O THR A 66 -2.997 -2.841 -7.837 1.00 0.00 O ATOM 1045 CB THR A 66 -4.700 -5.233 -8.178 1.00 0.00 C ATOM 1046 OG1 THR A 66 -6.037 -5.603 -8.466 1.00 0.00 O ATOM 1047 CG2 THR A 66 -3.846 -6.502 -8.025 1.00 0.00 C ATOM 0 H THR A 66 -5.665 -2.590 -7.336 1.00 0.00 H new ATOM 0 HA THR A 66 -4.590 -5.102 -6.122 1.00 0.00 H new ATOM 0 HB THR A 66 -4.310 -4.638 -9.003 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.056 -6.159 -9.273 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.920 -7.102 -8.932 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.806 -6.223 -7.858 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.206 -7.083 -7.176 1.00 0.00 H new ATOM 1055 N LEU A 67 -2.981 -3.250 -5.615 1.00 0.00 N ATOM 1056 CA LEU A 67 -1.847 -2.430 -5.291 1.00 0.00 C ATOM 1057 C LEU A 67 -0.612 -3.269 -5.586 1.00 0.00 C ATOM 1058 O LEU A 67 -0.691 -4.492 -5.726 1.00 0.00 O ATOM 1059 CB LEU A 67 -1.899 -2.024 -3.805 1.00 0.00 C ATOM 1060 CG LEU A 67 -2.858 -0.855 -3.507 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -4.332 -1.218 -3.714 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.661 -0.370 -2.070 1.00 0.00 C ATOM 0 H LEU A 67 -3.421 -3.671 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.834 -1.510 -5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.201 -2.888 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.896 -1.750 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.613 -0.066 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.955 -0.353 -3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.491 -1.519 -4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.600 -2.041 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.343 0.456 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.867 -1.187 -1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.633 -0.033 -1.938 1.00 0.00 H new ATOM 1074 N HIS A 68 0.528 -2.613 -5.704 1.00 0.00 N ATOM 1075 CA HIS A 68 1.804 -3.250 -5.967 1.00 0.00 C ATOM 1076 C HIS A 68 2.775 -2.799 -4.881 1.00 0.00 C ATOM 1077 O HIS A 68 2.527 -1.800 -4.198 1.00 0.00 O ATOM 1078 CB HIS A 68 2.274 -2.916 -7.388 1.00 0.00 C ATOM 1079 CG HIS A 68 3.261 -3.918 -7.912 1.00 0.00 C ATOM 1080 ND1 HIS A 68 4.602 -3.899 -7.626 1.00 0.00 N ATOM 1081 CD2 HIS A 68 2.983 -5.055 -8.618 1.00 0.00 C ATOM 1082 CE1 HIS A 68 5.122 -5.041 -8.101 1.00 0.00 C ATOM 1083 NE2 HIS A 68 4.185 -5.756 -8.749 1.00 0.00 N ATOM 0 H HIS A 68 0.593 -1.599 -5.617 1.00 0.00 H new ATOM 0 HA HIS A 68 1.732 -4.337 -5.929 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.412 -2.876 -8.054 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.728 -1.925 -7.395 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.019 -5.354 -9.001 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.151 -5.344 -7.980 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.325 -6.639 -9.241 1.00 0.00 H new ATOM 1090 N LEU A 69 3.866 -3.532 -4.714 1.00 0.00 N ATOM 1091 CA LEU A 69 4.911 -3.284 -3.743 1.00 0.00 C ATOM 1092 C LEU A 69 6.234 -3.324 -4.475 1.00 0.00 C ATOM 1093 O LEU A 69 6.539 -4.300 -5.154 1.00 0.00 O ATOM 1094 CB LEU A 69 4.920 -4.376 -2.673 1.00 0.00 C ATOM 1095 CG LEU A 69 3.836 -4.212 -1.608 1.00 0.00 C ATOM 1096 CD1 LEU A 69 3.492 -5.571 -0.997 1.00 0.00 C ATOM 1097 CD2 LEU A 69 4.330 -3.273 -0.505 1.00 0.00 C ATOM 0 H LEU A 69 4.052 -4.357 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 69 4.743 -2.320 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.796 -5.345 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.895 -4.385 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 69 2.946 -3.790 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.719 -5.444 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.129 -6.239 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.383 -6.000 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.553 -3.160 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.226 -3.691 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.563 -2.299 -0.934 1.00 0.00 H new ATOM 1109 N VAL A 70 6.998 -2.254 -4.331 1.00 0.00 N ATOM 1110 CA VAL A 70 8.315 -2.064 -4.914 1.00 0.00 C ATOM 1111 C VAL A 70 9.159 -1.379 -3.840 1.00 0.00 C ATOM 1112 O VAL A 70 8.780 -1.375 -2.660 1.00 0.00 O ATOM 1113 CB VAL A 70 8.223 -1.264 -6.235 1.00 0.00 C ATOM 1114 CG1 VAL A 70 7.517 -2.046 -7.348 1.00 0.00 C ATOM 1115 CG2 VAL A 70 7.506 0.084 -6.061 1.00 0.00 C ATOM 0 H VAL A 70 6.700 -1.453 -3.775 1.00 0.00 H new ATOM 0 HA VAL A 70 8.783 -3.007 -5.197 1.00 0.00 H new ATOM 0 HB VAL A 70 9.259 -1.085 -6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.480 -1.439 -8.252 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.066 -2.966 -7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.502 -2.291 -7.033 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.470 0.603 -7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.491 -0.087 -5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.048 0.694 -5.338 1.00 0.00 H new ATOM 1125 N LEU A 71 10.332 -0.861 -4.198 1.00 0.00 N ATOM 1126 CA LEU A 71 11.187 -0.155 -3.266 1.00 0.00 C ATOM 1127 C LEU A 71 11.704 1.108 -3.925 1.00 0.00 C ATOM 1128 O LEU A 71 11.669 1.270 -5.151 1.00 0.00 O ATOM 1129 CB LEU A 71 12.300 -1.047 -2.695 1.00 0.00 C ATOM 1130 CG LEU A 71 13.464 -1.390 -3.650 1.00 0.00 C ATOM 1131 CD1 LEU A 71 14.547 -0.300 -3.704 1.00 0.00 C ATOM 1132 CD2 LEU A 71 14.118 -2.693 -3.179 1.00 0.00 C ATOM 0 H LEU A 71 10.710 -0.923 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 71 10.600 0.134 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.714 -0.555 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.850 -1.980 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 71 13.040 -1.481 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.335 -0.604 -4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.105 0.635 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.970 -0.157 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.943 -2.948 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.497 -2.564 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.380 -3.495 -3.191 1.00 0.00 H new