USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 641 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 13 LYS NZ :NH3+ 161:sc= 0 (180deg=0) USER MOD Set 1.2: A 67 GLN : amide:sc= -0.815 K(o=-0.81,f=-0.01) USER MOD Single : A 1 MET CE :methyl 157:sc= -0.123 (180deg=-1.21) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 19:sc= 0.994 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -160:sc=-0.00638 (180deg=-0.117) USER MOD Single : A 8 ASN : amide:sc= -1.48 K(o=-1.5,f=-11!) USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.00634) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= -0.116 (180deg=-0.822) USER MOD Single : A 21 SER OG : rot 180:sc= 0.00686 USER MOD Single : A 22 ASN : amide:sc= -2.02 K(o=-2,f=-2.9!) USER MOD Single : A 23 THR OG1 : rot 83:sc= 0.913 USER MOD Single : A 27 THR OG1 : rot 160:sc= -1.07 USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= 1.26 (180deg=0.934) USER MOD Single : A 29 THR OG1 : rot 87:sc= 0.546 USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0825) USER MOD Single : A 33 GLN : amide:sc= -2.66! K(o=-2.7!,f=-0.24) USER MOD Single : A 34 SER OG : rot -52:sc= -1.17 USER MOD Single : A 36 SER OG : rot -72:sc= 0.84 USER MOD Single : A 37 CYS SG : rot 160:sc= -2.04 USER MOD Single : A 40 SER OG : rot 86:sc= 0.834 USER MOD Single : A 41 GLN : amide:sc= -5.13! C(o=-5.1!,f=-7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 93:sc= 0.0516 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.17! K(o=-1.2!,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -77:sc= 0.689 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -8:sc= -1.79 USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= 0.911 (180deg=-1.1) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.824 K(o=-0.82,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -167:sc=-0.00602 (180deg=-0.163) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.471 -20.968 2.715 1.00 0.00 N ATOM 2 CA MET A 1 -1.533 -19.881 3.115 1.00 0.00 C ATOM 3 C MET A 1 -0.684 -19.478 1.915 1.00 0.00 C ATOM 4 O MET A 1 0.090 -20.280 1.391 1.00 0.00 O ATOM 5 CB MET A 1 -0.634 -20.379 4.248 1.00 0.00 C ATOM 6 CG MET A 1 0.336 -19.268 4.657 1.00 0.00 C ATOM 7 SD MET A 1 1.048 -19.654 6.277 1.00 0.00 S ATOM 8 CE MET A 1 1.711 -21.284 5.854 1.00 0.00 C ATOM 0 H1 MET A 1 -3.051 -21.244 3.533 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.089 -20.629 1.950 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.928 -21.790 2.382 1.00 0.00 H new ATOM 0 HA MET A 1 -2.098 -19.015 3.460 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.241 -20.679 5.102 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.079 -21.260 3.926 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.128 -19.170 3.914 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.185 -18.311 4.696 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.521 -21.536 6.538 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.921 -22.031 5.936 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.091 -21.268 4.832 1.00 0.00 H new ATOM 20 N VAL A 2 -0.833 -18.228 1.483 1.00 0.00 N ATOM 21 CA VAL A 2 -0.073 -17.721 0.342 1.00 0.00 C ATOM 22 C VAL A 2 1.027 -16.782 0.817 1.00 0.00 C ATOM 23 O VAL A 2 0.806 -15.924 1.666 1.00 0.00 O ATOM 24 CB VAL A 2 -1.017 -17.003 -0.645 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.375 -16.761 0.015 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.427 -15.655 -1.083 1.00 0.00 C ATOM 0 H VAL A 2 -1.469 -17.550 1.903 1.00 0.00 H new ATOM 0 HA VAL A 2 0.394 -18.560 -0.175 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.137 -17.640 -1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.036 -16.254 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.815 -17.716 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.243 -16.141 0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.110 -15.168 -1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.284 -15.019 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.533 -15.820 -1.573 1.00 0.00 H new ATOM 36 N SER A 3 2.206 -16.959 0.240 1.00 0.00 N ATOM 37 CA SER A 3 3.363 -16.135 0.570 1.00 0.00 C ATOM 38 C SER A 3 3.711 -15.253 -0.619 1.00 0.00 C ATOM 39 O SER A 3 4.135 -15.746 -1.662 1.00 0.00 O ATOM 40 CB SER A 3 4.559 -17.023 0.917 1.00 0.00 C ATOM 41 OG SER A 3 4.963 -17.740 -0.241 1.00 0.00 O ATOM 0 H SER A 3 2.389 -17.672 -0.466 1.00 0.00 H new ATOM 0 HA SER A 3 3.123 -15.511 1.431 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.383 -16.414 1.288 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.292 -17.717 1.714 1.00 0.00 H new ATOM 0 HG SER A 3 4.599 -17.304 -1.039 1.00 0.00 H new ATOM 47 N LEU A 4 3.505 -13.951 -0.470 1.00 0.00 N ATOM 48 CA LEU A 4 3.778 -13.021 -1.558 1.00 0.00 C ATOM 49 C LEU A 4 5.031 -12.205 -1.309 1.00 0.00 C ATOM 50 O LEU A 4 5.662 -12.298 -0.256 1.00 0.00 O ATOM 51 CB LEU A 4 2.598 -12.070 -1.728 1.00 0.00 C ATOM 52 CG LEU A 4 1.333 -12.886 -1.958 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.123 -11.952 -1.988 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.444 -13.644 -3.288 1.00 0.00 C ATOM 0 H LEU A 4 3.154 -13.518 0.384 1.00 0.00 H new ATOM 0 HA LEU A 4 3.930 -13.612 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.487 -11.445 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.772 -11.400 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 4 1.210 -13.605 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.783 -12.535 -2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.047 -11.424 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.241 -11.229 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.538 -14.227 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.568 -12.932 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.305 -14.312 -3.255 1.00 0.00 H new ATOM 66 N THR A 5 5.368 -11.393 -2.300 1.00 0.00 N ATOM 67 CA THR A 5 6.542 -10.525 -2.218 1.00 0.00 C ATOM 68 C THR A 5 6.215 -9.137 -2.750 1.00 0.00 C ATOM 69 O THR A 5 5.706 -8.990 -3.859 1.00 0.00 O ATOM 70 CB THR A 5 7.701 -11.113 -3.028 1.00 0.00 C ATOM 71 OG1 THR A 5 8.191 -12.275 -2.373 1.00 0.00 O ATOM 72 CG2 THR A 5 8.827 -10.076 -3.146 1.00 0.00 C ATOM 0 H THR A 5 4.847 -11.314 -3.173 1.00 0.00 H new ATOM 0 HA THR A 5 6.834 -10.451 -1.171 1.00 0.00 H new ATOM 0 HB THR A 5 7.350 -11.377 -4.026 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.932 -12.654 -2.890 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.650 -10.497 -3.723 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.450 -9.185 -3.649 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.181 -9.808 -2.150 1.00 0.00 H new ATOM 80 N PHE A 6 6.522 -8.121 -1.954 1.00 0.00 N ATOM 81 CA PHE A 6 6.266 -6.743 -2.354 1.00 0.00 C ATOM 82 C PHE A 6 7.571 -6.069 -2.775 1.00 0.00 C ATOM 83 O PHE A 6 8.469 -5.883 -1.955 1.00 0.00 O ATOM 84 CB PHE A 6 5.648 -5.973 -1.185 1.00 0.00 C ATOM 85 CG PHE A 6 4.247 -6.478 -0.924 1.00 0.00 C ATOM 86 CD1 PHE A 6 4.037 -7.809 -0.538 1.00 0.00 C ATOM 87 CD2 PHE A 6 3.156 -5.613 -1.064 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.740 -8.270 -0.292 1.00 0.00 C ATOM 89 CE2 PHE A 6 1.859 -6.076 -0.817 1.00 0.00 C ATOM 90 CZ PHE A 6 1.651 -7.404 -0.431 1.00 0.00 C ATOM 0 H PHE A 6 6.946 -8.224 -1.032 1.00 0.00 H new ATOM 0 HA PHE A 6 5.575 -6.742 -3.197 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.261 -6.095 -0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.624 -4.907 -1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.877 -8.479 -0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.315 -4.587 -1.363 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.579 -9.296 0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.018 -5.407 -0.925 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.650 -7.761 -0.240 1.00 0.00 H new ATOM 100 N LYS A 7 7.675 -5.710 -4.056 1.00 0.00 N ATOM 101 CA LYS A 7 8.889 -5.065 -4.561 1.00 0.00 C ATOM 102 C LYS A 7 8.618 -3.612 -4.945 1.00 0.00 C ATOM 103 O LYS A 7 7.536 -3.274 -5.425 1.00 0.00 O ATOM 104 CB LYS A 7 9.433 -5.843 -5.770 1.00 0.00 C ATOM 105 CG LYS A 7 8.697 -5.422 -7.053 1.00 0.00 C ATOM 106 CD LYS A 7 9.311 -4.129 -7.628 1.00 0.00 C ATOM 107 CE LYS A 7 9.745 -4.360 -9.078 1.00 0.00 C ATOM 108 NZ LYS A 7 10.897 -5.305 -9.106 1.00 0.00 N ATOM 0 H LYS A 7 6.945 -5.852 -4.754 1.00 0.00 H new ATOM 0 HA LYS A 7 9.636 -5.071 -3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.502 -5.658 -5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.310 -6.914 -5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.757 -6.220 -7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.640 -5.265 -6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.584 -3.318 -7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.167 -3.824 -7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.915 -4.764 -9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.026 -3.414 -9.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.404 -5.208 -10.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.544 -5.087 -8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.549 -6.280 -9.007 1.00 0.00 H new ATOM 122 N ASN A 8 9.616 -2.760 -4.724 1.00 0.00 N ATOM 123 CA ASN A 8 9.496 -1.339 -5.040 1.00 0.00 C ATOM 124 C ASN A 8 10.540 -0.928 -6.074 1.00 0.00 C ATOM 125 O ASN A 8 11.231 -1.774 -6.643 1.00 0.00 O ATOM 126 CB ASN A 8 9.690 -0.510 -3.770 1.00 0.00 C ATOM 127 CG ASN A 8 11.006 -0.891 -3.098 1.00 0.00 C ATOM 128 OD1 ASN A 8 11.761 -1.703 -3.631 1.00 0.00 O ATOM 129 ND2 ASN A 8 11.326 -0.354 -1.953 1.00 0.00 N ATOM 0 H ASN A 8 10.517 -3.029 -4.327 1.00 0.00 H new ATOM 0 HA ASN A 8 8.502 -1.160 -5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.691 0.552 -4.015 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.859 -0.679 -3.085 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.203 -0.607 -1.498 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.699 0.319 -1.512 1.00 0.00 H new ATOM 136 N PHE A 9 10.651 0.375 -6.308 1.00 0.00 N ATOM 137 CA PHE A 9 11.617 0.892 -7.272 1.00 0.00 C ATOM 138 C PHE A 9 12.995 1.014 -6.628 1.00 0.00 C ATOM 139 O PHE A 9 13.929 1.542 -7.233 1.00 0.00 O ATOM 140 CB PHE A 9 11.163 2.266 -7.783 1.00 0.00 C ATOM 141 CG PHE A 9 10.229 2.093 -8.960 1.00 0.00 C ATOM 142 CD1 PHE A 9 9.134 1.224 -8.866 1.00 0.00 C ATOM 143 CD2 PHE A 9 10.458 2.802 -10.147 1.00 0.00 C ATOM 144 CE1 PHE A 9 8.270 1.065 -9.956 1.00 0.00 C ATOM 145 CE2 PHE A 9 9.594 2.643 -11.236 1.00 0.00 C ATOM 146 CZ PHE A 9 8.500 1.774 -11.141 1.00 0.00 C ATOM 0 H PHE A 9 10.088 1.089 -5.847 1.00 0.00 H new ATOM 0 HA PHE A 9 11.678 0.198 -8.110 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.660 2.813 -6.985 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.029 2.858 -8.078 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.956 0.677 -7.952 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.302 3.472 -10.221 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.426 0.395 -9.883 1.00 0.00 H new ATOM 0 HE2 PHE A 9 9.771 3.191 -12.150 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.834 1.651 -11.982 1.00 0.00 H new ATOM 156 N LYS A 10 13.115 0.520 -5.400 1.00 0.00 N ATOM 157 CA LYS A 10 14.384 0.574 -4.680 1.00 0.00 C ATOM 158 C LYS A 10 15.124 -0.749 -4.833 1.00 0.00 C ATOM 159 O LYS A 10 16.147 -0.981 -4.189 1.00 0.00 O ATOM 160 CB LYS A 10 14.134 0.857 -3.196 1.00 0.00 C ATOM 161 CG LYS A 10 13.401 2.195 -3.039 1.00 0.00 C ATOM 162 CD LYS A 10 14.341 3.363 -3.400 1.00 0.00 C ATOM 163 CE LYS A 10 13.899 3.999 -4.722 1.00 0.00 C ATOM 164 NZ LYS A 10 12.682 4.828 -4.494 1.00 0.00 N ATOM 0 H LYS A 10 12.353 0.080 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 10 14.993 1.376 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.542 0.054 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.081 0.885 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 10 12.522 2.214 -3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.048 2.306 -2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.329 4.109 -2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.366 3.003 -3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.701 4.616 -5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 10 13.690 3.223 -5.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 12.452 5.353 -5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.884 4.211 -4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 12.860 5.500 -3.720 1.00 0.00 H new ATOM 178 N LYS A 11 14.592 -1.606 -5.696 1.00 0.00 N ATOM 179 CA LYS A 11 15.194 -2.910 -5.948 1.00 0.00 C ATOM 180 C LYS A 11 15.175 -3.776 -4.692 1.00 0.00 C ATOM 181 O LYS A 11 16.012 -4.664 -4.529 1.00 0.00 O ATOM 182 CB LYS A 11 16.636 -2.742 -6.436 1.00 0.00 C ATOM 183 CG LYS A 11 16.685 -1.685 -7.542 1.00 0.00 C ATOM 184 CD LYS A 11 15.834 -2.143 -8.730 1.00 0.00 C ATOM 185 CE LYS A 11 16.245 -1.367 -9.983 1.00 0.00 C ATOM 186 NZ LYS A 11 17.630 -1.755 -10.374 1.00 0.00 N ATOM 0 H LYS A 11 13.745 -1.422 -6.233 1.00 0.00 H new ATOM 0 HA LYS A 11 14.606 -3.407 -6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.279 -2.445 -5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.017 -3.692 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.316 -0.731 -7.164 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.715 -1.525 -7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.964 -3.213 -8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.777 -1.979 -8.518 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.553 -1.578 -10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.196 -0.295 -9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.736 -1.670 -11.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.312 -1.128 -9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.809 -2.739 -10.088 1.00 0.00 H new ATOM 200 N GLU A 12 14.210 -3.521 -3.811 1.00 0.00 N ATOM 201 CA GLU A 12 14.084 -4.294 -2.576 1.00 0.00 C ATOM 202 C GLU A 12 12.734 -4.999 -2.533 1.00 0.00 C ATOM 203 O GLU A 12 11.705 -4.407 -2.860 1.00 0.00 O ATOM 204 CB GLU A 12 14.216 -3.378 -1.358 1.00 0.00 C ATOM 205 CG GLU A 12 15.361 -2.388 -1.578 1.00 0.00 C ATOM 206 CD GLU A 12 15.798 -1.791 -0.244 1.00 0.00 C ATOM 207 OE1 GLU A 12 14.962 -1.689 0.639 1.00 0.00 O ATOM 208 OE2 GLU A 12 16.962 -1.446 -0.124 1.00 0.00 O ATOM 0 H GLU A 12 13.508 -2.790 -3.927 1.00 0.00 H new ATOM 0 HA GLU A 12 14.881 -5.037 -2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.283 -2.839 -1.194 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.403 -3.972 -0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.202 -2.892 -2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.042 -1.595 -2.254 1.00 0.00 H new ATOM 215 N LYS A 13 12.744 -6.267 -2.132 1.00 0.00 N ATOM 216 CA LYS A 13 11.522 -7.048 -2.056 1.00 0.00 C ATOM 217 C LYS A 13 11.243 -7.461 -0.614 1.00 0.00 C ATOM 218 O LYS A 13 12.153 -7.859 0.115 1.00 0.00 O ATOM 219 CB LYS A 13 11.648 -8.286 -2.944 1.00 0.00 C ATOM 220 CG LYS A 13 12.585 -7.992 -4.128 1.00 0.00 C ATOM 221 CD LYS A 13 12.070 -8.698 -5.384 1.00 0.00 C ATOM 222 CE LYS A 13 12.244 -10.211 -5.232 1.00 0.00 C ATOM 223 NZ LYS A 13 11.395 -10.911 -6.237 1.00 0.00 N ATOM 0 H LYS A 13 13.586 -6.772 -1.856 1.00 0.00 H new ATOM 0 HA LYS A 13 10.689 -6.438 -2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.035 -9.123 -2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.665 -8.581 -3.312 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.641 -6.917 -4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.595 -8.331 -3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.019 -8.457 -5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.614 -8.346 -6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.290 -10.483 -5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.965 -10.521 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.737 -11.885 -6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.409 -10.929 -5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.446 -10.407 -7.146 1.00 0.00 H new ATOM 237 N VAL A 14 9.980 -7.359 -0.210 1.00 0.00 N ATOM 238 CA VAL A 14 9.584 -7.720 1.150 1.00 0.00 C ATOM 239 C VAL A 14 8.610 -8.900 1.126 1.00 0.00 C ATOM 240 O VAL A 14 7.541 -8.807 0.523 1.00 0.00 O ATOM 241 CB VAL A 14 8.911 -6.524 1.825 1.00 0.00 C ATOM 242 CG1 VAL A 14 8.520 -6.898 3.256 1.00 0.00 C ATOM 243 CG2 VAL A 14 9.883 -5.342 1.856 1.00 0.00 C ATOM 0 H VAL A 14 9.216 -7.031 -0.801 1.00 0.00 H new ATOM 0 HA VAL A 14 10.475 -8.005 1.708 1.00 0.00 H new ATOM 0 HB VAL A 14 8.018 -6.247 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.040 -6.045 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.828 -7.740 3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.413 -7.176 3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.404 -4.489 2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.776 -5.620 2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.162 -5.074 0.837 1.00 0.00 H new ATOM 253 N PRO A 15 8.944 -10.001 1.759 1.00 0.00 N ATOM 254 CA PRO A 15 8.058 -11.196 1.787 1.00 0.00 C ATOM 255 C PRO A 15 6.901 -11.035 2.767 1.00 0.00 C ATOM 256 O PRO A 15 7.057 -10.460 3.844 1.00 0.00 O ATOM 257 CB PRO A 15 8.991 -12.324 2.221 1.00 0.00 C ATOM 258 CG PRO A 15 10.041 -11.661 3.052 1.00 0.00 C ATOM 259 CD PRO A 15 10.191 -10.233 2.514 1.00 0.00 C ATOM 0 HA PRO A 15 7.583 -11.376 0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.455 -13.081 2.793 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.429 -12.827 1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.753 -11.650 4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.986 -12.201 2.986 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.307 -9.512 3.323 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.068 -10.138 1.874 1.00 0.00 H new ATOM 267 N LEU A 16 5.742 -11.552 2.379 1.00 0.00 N ATOM 268 CA LEU A 16 4.550 -11.472 3.215 1.00 0.00 C ATOM 269 C LEU A 16 3.676 -12.701 3.007 1.00 0.00 C ATOM 270 O LEU A 16 3.813 -13.413 2.014 1.00 0.00 O ATOM 271 CB LEU A 16 3.740 -10.221 2.856 1.00 0.00 C ATOM 272 CG LEU A 16 4.342 -8.988 3.533 1.00 0.00 C ATOM 273 CD1 LEU A 16 3.652 -7.728 2.994 1.00 0.00 C ATOM 274 CD2 LEU A 16 4.145 -9.072 5.055 1.00 0.00 C ATOM 0 H LEU A 16 5.602 -12.032 1.490 1.00 0.00 H new ATOM 0 HA LEU A 16 4.865 -11.421 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.731 -10.083 1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.704 -10.348 3.170 1.00 0.00 H new ATOM 0 HG LEU A 16 5.410 -8.945 3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.078 -6.847 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.803 -7.663 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.584 -7.778 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.577 -8.190 5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.080 -9.120 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.638 -9.966 5.437 1.00 0.00 H new ATOM 286 N ASP A 17 2.765 -12.932 3.945 1.00 0.00 N ATOM 287 CA ASP A 17 1.850 -14.064 3.858 1.00 0.00 C ATOM 288 C ASP A 17 0.453 -13.635 4.281 1.00 0.00 C ATOM 289 O ASP A 17 0.281 -12.979 5.308 1.00 0.00 O ATOM 290 CB ASP A 17 2.324 -15.203 4.753 1.00 0.00 C ATOM 291 CG ASP A 17 2.216 -14.798 6.220 1.00 0.00 C ATOM 292 OD1 ASP A 17 3.150 -14.190 6.715 1.00 0.00 O ATOM 293 OD2 ASP A 17 1.201 -15.101 6.824 1.00 0.00 O ATOM 0 H ASP A 17 2.640 -12.351 4.774 1.00 0.00 H new ATOM 0 HA ASP A 17 1.827 -14.411 2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.724 -16.094 4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.356 -15.458 4.513 1.00 0.00 H new ATOM 298 N LEU A 18 -0.541 -13.997 3.479 1.00 0.00 N ATOM 299 CA LEU A 18 -1.923 -13.627 3.773 1.00 0.00 C ATOM 300 C LEU A 18 -2.885 -14.772 3.490 1.00 0.00 C ATOM 301 O LEU A 18 -2.472 -15.893 3.189 1.00 0.00 O ATOM 302 CB LEU A 18 -2.326 -12.426 2.917 1.00 0.00 C ATOM 303 CG LEU A 18 -1.568 -11.170 3.380 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.716 -10.632 2.230 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.574 -10.104 3.816 1.00 0.00 C ATOM 0 H LEU A 18 -0.419 -14.542 2.626 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.980 -13.381 4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.107 -12.627 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.401 -12.260 2.992 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.920 -11.424 4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.180 -9.742 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.000 -11.393 1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.360 -10.376 1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.040 -9.213 4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.222 -9.850 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.178 -10.488 4.638 1.00 0.00 H new ATOM 317 N GLU A 19 -4.179 -14.467 3.587 1.00 0.00 N ATOM 318 CA GLU A 19 -5.222 -15.453 3.338 1.00 0.00 C ATOM 319 C GLU A 19 -6.176 -14.940 2.260 1.00 0.00 C ATOM 320 O GLU A 19 -6.349 -13.731 2.104 1.00 0.00 O ATOM 321 CB GLU A 19 -5.998 -15.714 4.633 1.00 0.00 C ATOM 322 CG GLU A 19 -5.113 -16.492 5.607 1.00 0.00 C ATOM 323 CD GLU A 19 -5.876 -16.768 6.898 1.00 0.00 C ATOM 324 OE1 GLU A 19 -6.718 -15.958 7.249 1.00 0.00 O ATOM 325 OE2 GLU A 19 -5.607 -17.785 7.515 1.00 0.00 O ATOM 0 H GLU A 19 -4.527 -13.541 3.837 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.765 -16.381 2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.308 -14.770 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.906 -16.278 4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.797 -17.432 5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.209 -15.923 5.824 1.00 0.00 H new ATOM 332 N PRO A 20 -6.797 -15.819 1.518 1.00 0.00 N ATOM 333 CA PRO A 20 -7.749 -15.423 0.443 1.00 0.00 C ATOM 334 C PRO A 20 -8.783 -14.424 0.948 1.00 0.00 C ATOM 335 O PRO A 20 -9.322 -13.628 0.179 1.00 0.00 O ATOM 336 CB PRO A 20 -8.429 -16.737 0.023 1.00 0.00 C ATOM 337 CG PRO A 20 -7.936 -17.801 0.958 1.00 0.00 C ATOM 338 CD PRO A 20 -6.665 -17.275 1.618 1.00 0.00 C ATOM 0 HA PRO A 20 -7.238 -14.930 -0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.514 -16.646 0.079 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.183 -16.986 -1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.691 -18.032 1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.733 -18.725 0.416 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.589 -17.600 2.656 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.771 -17.632 1.106 1.00 0.00 H new ATOM 346 N SER A 21 -9.061 -14.484 2.243 1.00 0.00 N ATOM 347 CA SER A 21 -10.046 -13.587 2.842 1.00 0.00 C ATOM 348 C SER A 21 -9.423 -12.243 3.199 1.00 0.00 C ATOM 349 O SER A 21 -10.101 -11.217 3.174 1.00 0.00 O ATOM 350 CB SER A 21 -10.643 -14.227 4.094 1.00 0.00 C ATOM 351 OG SER A 21 -9.592 -14.605 4.975 1.00 0.00 O ATOM 0 H SER A 21 -8.625 -15.136 2.895 1.00 0.00 H new ATOM 0 HA SER A 21 -10.834 -13.415 2.109 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.314 -13.526 4.590 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.237 -15.100 3.822 1.00 0.00 H new ATOM 0 HG SER A 21 -9.972 -15.015 5.780 1.00 0.00 H new ATOM 357 N ASN A 22 -8.131 -12.241 3.513 1.00 0.00 N ATOM 358 CA ASN A 22 -7.462 -10.997 3.841 1.00 0.00 C ATOM 359 C ASN A 22 -7.615 -10.045 2.669 1.00 0.00 C ATOM 360 O ASN A 22 -7.990 -10.463 1.573 1.00 0.00 O ATOM 361 CB ASN A 22 -5.978 -11.244 4.129 1.00 0.00 C ATOM 362 CG ASN A 22 -5.783 -11.613 5.597 1.00 0.00 C ATOM 363 OD1 ASN A 22 -6.286 -12.640 6.053 1.00 0.00 O ATOM 364 ND2 ASN A 22 -5.076 -10.832 6.367 1.00 0.00 N ATOM 0 H ASN A 22 -7.540 -13.072 3.546 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.911 -10.565 4.735 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.604 -12.046 3.492 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.400 -10.351 3.890 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.939 -11.072 7.349 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.660 -9.982 5.987 1.00 0.00 H new ATOM 371 N THR A 23 -7.343 -8.772 2.891 1.00 0.00 N ATOM 372 CA THR A 23 -7.484 -7.801 1.817 1.00 0.00 C ATOM 373 C THR A 23 -6.432 -6.708 1.895 1.00 0.00 C ATOM 374 O THR A 23 -5.826 -6.467 2.938 1.00 0.00 O ATOM 375 CB THR A 23 -8.888 -7.184 1.847 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.803 -5.786 1.604 1.00 0.00 O ATOM 377 CG2 THR A 23 -9.524 -7.429 3.213 1.00 0.00 C ATOM 0 H THR A 23 -7.030 -8.390 3.784 1.00 0.00 H new ATOM 0 HA THR A 23 -7.338 -8.330 0.875 1.00 0.00 H new ATOM 0 HB THR A 23 -9.501 -7.646 1.073 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.758 -5.624 0.639 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.522 -6.990 3.234 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.595 -8.501 3.394 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.910 -6.970 3.988 1.00 0.00 H new ATOM 385 N ILE A 24 -6.235 -6.055 0.757 1.00 0.00 N ATOM 386 CA ILE A 24 -5.275 -4.981 0.629 1.00 0.00 C ATOM 387 C ILE A 24 -5.193 -4.155 1.901 1.00 0.00 C ATOM 388 O ILE A 24 -4.112 -3.767 2.325 1.00 0.00 O ATOM 389 CB ILE A 24 -5.702 -4.086 -0.535 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.987 -4.925 -1.793 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.609 -3.076 -0.830 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.973 -6.065 -1.924 1.00 0.00 C ATOM 0 H ILE A 24 -6.742 -6.261 -0.104 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.289 -5.409 0.446 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.617 -3.564 -0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.996 -5.333 -1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.944 -4.290 -2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.916 -2.440 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.434 -2.461 0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.691 -3.600 -1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.192 -6.646 -2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.967 -5.651 -1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.036 -6.711 -1.048 1.00 0.00 H new ATOM 404 N LEU A 25 -6.335 -3.890 2.506 1.00 0.00 N ATOM 405 CA LEU A 25 -6.361 -3.111 3.730 1.00 0.00 C ATOM 406 C LEU A 25 -5.296 -3.623 4.692 1.00 0.00 C ATOM 407 O LEU A 25 -4.550 -2.845 5.287 1.00 0.00 O ATOM 408 CB LEU A 25 -7.749 -3.229 4.365 1.00 0.00 C ATOM 409 CG LEU A 25 -7.813 -2.495 5.714 1.00 0.00 C ATOM 410 CD1 LEU A 25 -7.079 -3.286 6.810 1.00 0.00 C ATOM 411 CD2 LEU A 25 -7.197 -1.094 5.585 1.00 0.00 C ATOM 0 H LEU A 25 -7.249 -4.199 2.175 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.152 -2.065 3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.497 -2.815 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.997 -4.281 4.509 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.861 -2.404 5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.140 -2.743 7.753 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.543 -4.266 6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.033 -3.410 6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.248 -0.584 6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.155 -1.182 5.276 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.750 -0.521 4.841 1.00 0.00 H new ATOM 423 N GLU A 26 -5.247 -4.940 4.846 1.00 0.00 N ATOM 424 CA GLU A 26 -4.289 -5.562 5.754 1.00 0.00 C ATOM 425 C GLU A 26 -2.886 -5.650 5.156 1.00 0.00 C ATOM 426 O GLU A 26 -1.904 -5.397 5.854 1.00 0.00 O ATOM 427 CB GLU A 26 -4.766 -6.964 6.140 1.00 0.00 C ATOM 428 CG GLU A 26 -6.070 -6.866 6.935 1.00 0.00 C ATOM 429 CD GLU A 26 -6.357 -8.192 7.631 1.00 0.00 C ATOM 430 OE1 GLU A 26 -5.407 -8.858 8.008 1.00 0.00 O ATOM 431 OE2 GLU A 26 -7.522 -8.522 7.777 1.00 0.00 O ATOM 0 H GLU A 26 -5.856 -5.596 4.357 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.231 -4.927 6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.920 -7.566 5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.003 -7.467 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.997 -6.067 7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.894 -6.610 6.269 1.00 0.00 H new ATOM 438 N THR A 27 -2.772 -6.009 3.879 1.00 0.00 N ATOM 439 CA THR A 27 -1.452 -6.107 3.277 1.00 0.00 C ATOM 440 C THR A 27 -0.779 -4.741 3.333 1.00 0.00 C ATOM 441 O THR A 27 0.397 -4.624 3.677 1.00 0.00 O ATOM 442 CB THR A 27 -1.568 -6.629 1.835 1.00 0.00 C ATOM 443 OG1 THR A 27 -0.706 -7.747 1.672 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.182 -5.544 0.831 1.00 0.00 C ATOM 0 H THR A 27 -3.553 -6.230 3.261 1.00 0.00 H new ATOM 0 HA THR A 27 -0.837 -6.817 3.830 1.00 0.00 H new ATOM 0 HB THR A 27 -2.602 -6.920 1.652 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.995 -8.273 0.897 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.272 -5.937 -0.182 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.846 -4.687 0.948 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.153 -5.233 1.009 1.00 0.00 H new ATOM 452 N LYS A 28 -1.550 -3.714 3.010 1.00 0.00 N ATOM 453 CA LYS A 28 -1.048 -2.348 3.040 1.00 0.00 C ATOM 454 C LYS A 28 -0.677 -1.947 4.467 1.00 0.00 C ATOM 455 O LYS A 28 0.309 -1.243 4.679 1.00 0.00 O ATOM 456 CB LYS A 28 -2.108 -1.391 2.501 1.00 0.00 C ATOM 457 CG LYS A 28 -1.978 -1.272 0.979 1.00 0.00 C ATOM 458 CD LYS A 28 -2.657 0.013 0.527 1.00 0.00 C ATOM 459 CE LYS A 28 -2.534 0.163 -0.990 1.00 0.00 C ATOM 460 NZ LYS A 28 -2.867 1.562 -1.380 1.00 0.00 N ATOM 0 H LYS A 28 -2.525 -3.800 2.724 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.158 -2.293 2.414 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.103 -1.752 2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.993 -0.410 2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.927 -1.265 0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.437 -2.133 0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.708 -0.000 0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.201 0.869 1.024 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.521 -0.084 -1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.205 -0.535 -1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.066 1.600 -2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.705 1.880 -0.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.063 2.184 -1.161 1.00 0.00 H new ATOM 474 N THR A 29 -1.468 -2.394 5.446 1.00 0.00 N ATOM 475 CA THR A 29 -1.192 -2.060 6.833 1.00 0.00 C ATOM 476 C THR A 29 0.120 -2.699 7.274 1.00 0.00 C ATOM 477 O THR A 29 1.066 -2.005 7.643 1.00 0.00 O ATOM 478 CB THR A 29 -2.344 -2.546 7.715 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.408 -1.607 7.660 1.00 0.00 O ATOM 480 CG2 THR A 29 -1.869 -2.693 9.158 1.00 0.00 C ATOM 0 H THR A 29 -2.291 -2.979 5.301 1.00 0.00 H new ATOM 0 HA THR A 29 -1.100 -0.978 6.932 1.00 0.00 H new ATOM 0 HB THR A 29 -2.689 -3.514 7.353 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.984 -1.810 6.894 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.695 -3.039 9.779 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.054 -3.416 9.201 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.518 -1.729 9.526 1.00 0.00 H new ATOM 488 N LYS A 30 0.170 -4.024 7.228 1.00 0.00 N ATOM 489 CA LYS A 30 1.375 -4.739 7.620 1.00 0.00 C ATOM 490 C LYS A 30 2.571 -4.217 6.832 1.00 0.00 C ATOM 491 O LYS A 30 3.556 -3.759 7.411 1.00 0.00 O ATOM 492 CB LYS A 30 1.204 -6.238 7.363 1.00 0.00 C ATOM 493 CG LYS A 30 2.520 -6.965 7.655 1.00 0.00 C ATOM 494 CD LYS A 30 2.895 -6.783 9.131 1.00 0.00 C ATOM 495 CE LYS A 30 3.822 -7.919 9.570 1.00 0.00 C ATOM 496 NZ LYS A 30 3.018 -9.149 9.813 1.00 0.00 N ATOM 0 H LYS A 30 -0.602 -4.619 6.926 1.00 0.00 H new ATOM 0 HA LYS A 30 1.548 -4.577 8.684 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.409 -6.637 7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.905 -6.408 6.329 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.420 -8.025 7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.312 -6.573 7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.388 -5.822 9.275 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.996 -6.776 9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.572 -8.108 8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.357 -7.636 10.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.576 -9.823 10.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.151 -8.900 10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.764 -9.583 8.903 1.00 0.00 H new ATOM 510 N LEU A 31 2.478 -4.289 5.507 1.00 0.00 N ATOM 511 CA LEU A 31 3.557 -3.820 4.651 1.00 0.00 C ATOM 512 C LEU A 31 4.090 -2.485 5.155 1.00 0.00 C ATOM 513 O LEU A 31 5.256 -2.152 4.949 1.00 0.00 O ATOM 514 CB LEU A 31 3.041 -3.659 3.218 1.00 0.00 C ATOM 515 CG LEU A 31 4.182 -3.229 2.292 1.00 0.00 C ATOM 516 CD1 LEU A 31 5.266 -4.314 2.266 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.628 -3.018 0.878 1.00 0.00 C ATOM 0 H LEU A 31 1.672 -4.665 5.008 1.00 0.00 H new ATOM 0 HA LEU A 31 4.365 -4.551 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.614 -4.599 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.242 -2.918 3.192 1.00 0.00 H new ATOM 0 HG LEU A 31 4.619 -2.300 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.076 -4.004 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.656 -4.463 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.838 -5.247 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.435 -2.711 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.193 -3.949 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.862 -2.243 0.899 1.00 0.00 H new ATOM 529 N ALA A 32 3.228 -1.731 5.826 1.00 0.00 N ATOM 530 CA ALA A 32 3.620 -0.434 6.368 1.00 0.00 C ATOM 531 C ALA A 32 4.369 -0.625 7.684 1.00 0.00 C ATOM 532 O ALA A 32 5.360 0.052 7.955 1.00 0.00 O ATOM 533 CB ALA A 32 2.376 0.440 6.593 1.00 0.00 C ATOM 0 H ALA A 32 2.259 -1.992 6.008 1.00 0.00 H new ATOM 0 HA ALA A 32 4.277 0.064 5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.678 1.406 6.998 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.860 0.589 5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.706 -0.055 7.297 1.00 0.00 H new ATOM 539 N GLN A 33 3.883 -1.556 8.494 1.00 0.00 N ATOM 540 CA GLN A 33 4.501 -1.843 9.784 1.00 0.00 C ATOM 541 C GLN A 33 5.747 -2.703 9.601 1.00 0.00 C ATOM 542 O GLN A 33 6.561 -2.838 10.514 1.00 0.00 O ATOM 543 CB GLN A 33 3.505 -2.568 10.692 1.00 0.00 C ATOM 544 CG GLN A 33 2.433 -1.584 11.170 1.00 0.00 C ATOM 545 CD GLN A 33 2.973 -0.740 12.321 1.00 0.00 C ATOM 546 OE1 GLN A 33 2.214 -0.031 12.980 1.00 0.00 O ATOM 547 NE2 GLN A 33 4.247 -0.776 12.602 1.00 0.00 N ATOM 0 H GLN A 33 3.064 -2.125 8.282 1.00 0.00 H new ATOM 0 HA GLN A 33 4.790 -0.899 10.245 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.040 -3.393 10.153 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.025 -2.999 11.548 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.128 -0.938 10.347 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.546 -2.129 11.493 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.874 -1.365 12.054 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.616 -0.215 13.370 1.00 0.00 H new ATOM 556 N SER A 34 5.885 -3.281 8.415 1.00 0.00 N ATOM 557 CA SER A 34 7.031 -4.127 8.117 1.00 0.00 C ATOM 558 C SER A 34 8.246 -3.263 7.828 1.00 0.00 C ATOM 559 O SER A 34 9.325 -3.480 8.379 1.00 0.00 O ATOM 560 CB SER A 34 6.730 -5.015 6.910 1.00 0.00 C ATOM 561 OG SER A 34 6.738 -4.223 5.730 1.00 0.00 O ATOM 0 H SER A 34 5.221 -3.180 7.648 1.00 0.00 H new ATOM 0 HA SER A 34 7.236 -4.761 8.980 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.473 -5.809 6.834 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.760 -5.497 7.032 1.00 0.00 H new ATOM 0 HG SER A 34 6.142 -3.454 5.848 1.00 0.00 H new ATOM 567 N ILE A 35 8.055 -2.270 6.967 1.00 0.00 N ATOM 568 CA ILE A 35 9.127 -1.362 6.618 1.00 0.00 C ATOM 569 C ILE A 35 9.011 -0.094 7.453 1.00 0.00 C ATOM 570 O ILE A 35 9.913 0.743 7.458 1.00 0.00 O ATOM 571 CB ILE A 35 9.058 -1.031 5.128 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.820 -0.175 4.842 1.00 0.00 C ATOM 573 CG2 ILE A 35 8.981 -2.329 4.323 1.00 0.00 C ATOM 574 CD1 ILE A 35 7.583 -0.092 3.327 1.00 0.00 C ATOM 0 H ILE A 35 7.168 -2.078 6.502 1.00 0.00 H new ATOM 0 HA ILE A 35 10.088 -1.833 6.825 1.00 0.00 H new ATOM 0 HB ILE A 35 9.950 -0.475 4.840 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.947 -0.606 5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.955 0.825 5.253 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.932 -2.095 3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.866 -2.933 4.521 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.090 -2.885 4.614 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.701 0.518 3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.451 0.359 2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.428 -1.094 2.928 1.00 0.00 H new ATOM 586 N SER A 36 7.892 0.028 8.172 1.00 0.00 N ATOM 587 CA SER A 36 7.660 1.188 9.034 1.00 0.00 C ATOM 588 C SER A 36 7.044 2.343 8.252 1.00 0.00 C ATOM 589 O SER A 36 7.146 3.502 8.654 1.00 0.00 O ATOM 590 CB SER A 36 8.973 1.649 9.675 1.00 0.00 C ATOM 591 OG SER A 36 9.593 2.614 8.834 1.00 0.00 O ATOM 0 H SER A 36 7.137 -0.658 8.174 1.00 0.00 H new ATOM 0 HA SER A 36 6.962 0.884 9.814 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.780 2.077 10.659 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.638 0.798 9.823 1.00 0.00 H new ATOM 0 HG SER A 36 9.947 2.172 8.034 1.00 0.00 H new ATOM 597 N CYS A 37 6.391 2.018 7.145 1.00 0.00 N ATOM 598 CA CYS A 37 5.742 3.029 6.321 1.00 0.00 C ATOM 599 C CYS A 37 4.261 3.091 6.662 1.00 0.00 C ATOM 600 O CYS A 37 3.801 2.397 7.568 1.00 0.00 O ATOM 601 CB CYS A 37 5.917 2.694 4.838 1.00 0.00 C ATOM 602 SG CYS A 37 7.542 3.264 4.280 1.00 0.00 S ATOM 0 H CYS A 37 6.296 1.064 6.797 1.00 0.00 H new ATOM 0 HA CYS A 37 6.201 3.997 6.520 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.824 1.619 4.683 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.131 3.170 4.251 1.00 0.00 H new ATOM 0 HG CYS A 37 7.873 2.633 3.193 1.00 0.00 H new ATOM 608 N GLU A 38 3.517 3.920 5.938 1.00 0.00 N ATOM 609 CA GLU A 38 2.084 4.050 6.180 1.00 0.00 C ATOM 610 C GLU A 38 1.295 3.521 4.981 1.00 0.00 C ATOM 611 O GLU A 38 1.770 3.555 3.847 1.00 0.00 O ATOM 612 CB GLU A 38 1.731 5.519 6.452 1.00 0.00 C ATOM 613 CG GLU A 38 1.365 6.218 5.142 1.00 0.00 C ATOM 614 CD GLU A 38 1.380 7.731 5.333 1.00 0.00 C ATOM 615 OE1 GLU A 38 2.172 8.200 6.134 1.00 0.00 O ATOM 616 OE2 GLU A 38 0.598 8.399 4.675 1.00 0.00 O ATOM 0 H GLU A 38 3.877 4.507 5.186 1.00 0.00 H new ATOM 0 HA GLU A 38 1.816 3.458 7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.897 5.578 7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.576 6.024 6.920 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.070 5.935 4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.378 5.895 4.812 1.00 0.00 H new ATOM 623 N GLU A 39 0.089 3.034 5.248 1.00 0.00 N ATOM 624 CA GLU A 39 -0.769 2.495 4.193 1.00 0.00 C ATOM 625 C GLU A 39 -1.417 3.622 3.398 1.00 0.00 C ATOM 626 O GLU A 39 -1.884 3.423 2.276 1.00 0.00 O ATOM 627 CB GLU A 39 -1.864 1.595 4.789 1.00 0.00 C ATOM 628 CG GLU A 39 -2.516 2.266 6.005 1.00 0.00 C ATOM 629 CD GLU A 39 -3.188 3.572 5.593 1.00 0.00 C ATOM 630 OE1 GLU A 39 -3.911 3.559 4.610 1.00 0.00 O ATOM 631 OE2 GLU A 39 -2.969 4.565 6.266 1.00 0.00 O ATOM 0 H GLU A 39 -0.318 3.000 6.182 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.144 1.901 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.621 1.386 4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.434 0.637 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.252 1.595 6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.763 2.462 6.768 1.00 0.00 H new ATOM 638 N SER A 40 -1.462 4.795 4.007 1.00 0.00 N ATOM 639 CA SER A 40 -2.083 5.959 3.378 1.00 0.00 C ATOM 640 C SER A 40 -1.194 6.577 2.298 1.00 0.00 C ATOM 641 O SER A 40 -1.615 7.506 1.609 1.00 0.00 O ATOM 642 CB SER A 40 -2.404 7.013 4.440 1.00 0.00 C ATOM 643 OG SER A 40 -3.534 6.593 5.190 1.00 0.00 O ATOM 0 H SER A 40 -1.078 4.971 4.935 1.00 0.00 H new ATOM 0 HA SER A 40 -3.000 5.618 2.897 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.548 7.155 5.099 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.604 7.974 3.966 1.00 0.00 H new ATOM 0 HG SER A 40 -3.243 6.007 5.920 1.00 0.00 H new ATOM 649 N GLN A 41 0.023 6.063 2.139 1.00 0.00 N ATOM 650 CA GLN A 41 0.931 6.588 1.122 1.00 0.00 C ATOM 651 C GLN A 41 1.321 5.473 0.163 1.00 0.00 C ATOM 652 O GLN A 41 1.616 5.708 -1.009 1.00 0.00 O ATOM 653 CB GLN A 41 2.178 7.181 1.786 1.00 0.00 C ATOM 654 CG GLN A 41 3.239 6.096 1.939 1.00 0.00 C ATOM 655 CD GLN A 41 4.314 6.544 2.922 1.00 0.00 C ATOM 656 OE1 GLN A 41 5.044 5.715 3.465 1.00 0.00 O ATOM 657 NE2 GLN A 41 4.454 7.813 3.184 1.00 0.00 N ATOM 0 H GLN A 41 0.400 5.294 2.693 1.00 0.00 H new ATOM 0 HA GLN A 41 0.429 7.378 0.563 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.567 8.003 1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.922 7.594 2.762 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.777 5.173 2.290 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.690 5.879 0.971 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.847 8.497 2.732 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.170 8.122 3.841 1.00 0.00 H new ATOM 666 N ILE A 42 1.320 4.261 0.689 1.00 0.00 N ATOM 667 CA ILE A 42 1.672 3.089 -0.076 1.00 0.00 C ATOM 668 C ILE A 42 0.657 2.822 -1.181 1.00 0.00 C ATOM 669 O ILE A 42 -0.542 3.053 -1.021 1.00 0.00 O ATOM 670 CB ILE A 42 1.749 1.902 0.892 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.211 1.563 1.169 1.00 0.00 C ATOM 672 CG2 ILE A 42 1.037 0.676 0.322 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.285 0.676 2.405 1.00 0.00 C ATOM 0 H ILE A 42 1.074 4.067 1.660 1.00 0.00 H new ATOM 0 HA ILE A 42 2.634 3.242 -0.564 1.00 0.00 H new ATOM 0 HB ILE A 42 1.251 2.184 1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.649 1.052 0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.787 2.475 1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.109 -0.149 1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.012 0.913 0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.506 0.388 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.326 0.427 2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.861 1.205 3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.721 -0.240 2.230 1.00 0.00 H new ATOM 685 N LYS A 43 1.163 2.311 -2.294 1.00 0.00 N ATOM 686 CA LYS A 43 0.328 1.974 -3.440 1.00 0.00 C ATOM 687 C LYS A 43 0.603 0.531 -3.846 1.00 0.00 C ATOM 688 O LYS A 43 1.739 0.177 -4.159 1.00 0.00 O ATOM 689 CB LYS A 43 0.636 2.908 -4.615 1.00 0.00 C ATOM 690 CG LYS A 43 0.496 4.370 -4.173 1.00 0.00 C ATOM 691 CD LYS A 43 -0.981 4.777 -4.181 1.00 0.00 C ATOM 692 CE LYS A 43 -1.097 6.276 -3.898 1.00 0.00 C ATOM 693 NZ LYS A 43 -2.521 6.698 -4.021 1.00 0.00 N ATOM 0 H LYS A 43 2.156 2.119 -2.429 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.721 2.091 -3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.646 2.725 -4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.044 2.703 -5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.912 4.499 -3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.064 5.017 -4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.429 4.542 -5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.530 4.210 -3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.727 6.497 -2.897 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.479 6.838 -4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.599 7.717 -3.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.860 6.501 -4.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.100 6.171 -3.336 1.00 0.00 H new ATOM 707 N LEU A 44 -0.430 -0.303 -3.820 1.00 0.00 N ATOM 708 CA LEU A 44 -0.266 -1.710 -4.171 1.00 0.00 C ATOM 709 C LEU A 44 -0.607 -1.944 -5.642 1.00 0.00 C ATOM 710 O LEU A 44 -1.769 -1.875 -6.042 1.00 0.00 O ATOM 711 CB LEU A 44 -1.166 -2.577 -3.276 1.00 0.00 C ATOM 712 CG LEU A 44 -0.308 -3.452 -2.351 1.00 0.00 C ATOM 713 CD1 LEU A 44 0.526 -4.431 -3.195 1.00 0.00 C ATOM 714 CD2 LEU A 44 0.619 -2.563 -1.500 1.00 0.00 C ATOM 0 H LEU A 44 -1.380 -0.035 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 44 0.776 -1.989 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.822 -1.941 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.807 -3.207 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.958 -4.019 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.135 -5.051 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.140 -5.066 -3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.175 -3.870 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.225 -3.190 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.271 -1.985 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.018 -1.884 -0.896 1.00 0.00 H new ATOM 726 N ILE A 45 0.426 -2.201 -6.442 1.00 0.00 N ATOM 727 CA ILE A 45 0.255 -2.424 -7.871 1.00 0.00 C ATOM 728 C ILE A 45 0.242 -3.912 -8.190 1.00 0.00 C ATOM 729 O ILE A 45 1.181 -4.637 -7.860 1.00 0.00 O ATOM 730 CB ILE A 45 1.419 -1.786 -8.640 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.507 -0.260 -8.422 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.248 -2.064 -10.134 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.666 0.203 -7.238 1.00 0.00 C ATOM 0 H ILE A 45 1.392 -2.259 -6.121 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.694 -1.977 -8.167 1.00 0.00 H new ATOM 0 HB ILE A 45 2.340 -2.228 -8.261 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.547 0.022 -8.259 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.175 0.254 -9.324 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.073 -1.612 -10.685 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.243 -3.140 -10.306 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.306 -1.638 -10.478 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.760 1.283 -7.125 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.379 -0.054 -7.411 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.015 -0.289 -6.330 1.00 0.00 H new ATOM 745 N TYR A 46 -0.816 -4.350 -8.860 1.00 0.00 N ATOM 746 CA TYR A 46 -0.937 -5.747 -9.258 1.00 0.00 C ATOM 747 C TYR A 46 -0.966 -5.827 -10.776 1.00 0.00 C ATOM 748 O TYR A 46 -1.949 -5.442 -11.410 1.00 0.00 O ATOM 749 CB TYR A 46 -2.218 -6.355 -8.679 1.00 0.00 C ATOM 750 CG TYR A 46 -2.331 -7.808 -9.088 1.00 0.00 C ATOM 751 CD1 TYR A 46 -1.348 -8.729 -8.697 1.00 0.00 C ATOM 752 CD2 TYR A 46 -3.425 -8.238 -9.851 1.00 0.00 C ATOM 753 CE1 TYR A 46 -1.459 -10.075 -9.071 1.00 0.00 C ATOM 754 CE2 TYR A 46 -3.534 -9.583 -10.223 1.00 0.00 C ATOM 755 CZ TYR A 46 -2.552 -10.501 -9.834 1.00 0.00 C ATOM 756 OH TYR A 46 -2.661 -11.827 -10.201 1.00 0.00 O ATOM 0 H TYR A 46 -1.600 -3.761 -9.139 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.085 -6.308 -8.875 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.210 -6.274 -7.592 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.087 -5.800 -9.034 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.505 -8.401 -8.107 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.184 -7.531 -10.152 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.701 -10.783 -8.770 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.377 -9.913 -10.811 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.478 -11.955 -10.727 1.00 0.00 H new ATOM 766 N SER A 47 0.123 -6.312 -11.352 1.00 0.00 N ATOM 767 CA SER A 47 0.222 -6.421 -12.798 1.00 0.00 C ATOM 768 C SER A 47 0.116 -5.046 -13.448 1.00 0.00 C ATOM 769 O SER A 47 -0.417 -4.911 -14.549 1.00 0.00 O ATOM 770 CB SER A 47 -0.884 -7.331 -13.335 1.00 0.00 C ATOM 771 OG SER A 47 -0.995 -8.477 -12.502 1.00 0.00 O ATOM 0 H SER A 47 0.946 -6.635 -10.843 1.00 0.00 H new ATOM 0 HA SER A 47 1.193 -6.852 -13.043 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.832 -6.794 -13.362 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.659 -7.631 -14.358 1.00 0.00 H new ATOM 0 HG SER A 47 -1.675 -8.317 -11.815 1.00 0.00 H new ATOM 777 N GLY A 48 0.631 -4.025 -12.764 1.00 0.00 N ATOM 778 CA GLY A 48 0.583 -2.671 -13.301 1.00 0.00 C ATOM 779 C GLY A 48 -0.786 -2.049 -13.069 1.00 0.00 C ATOM 780 O GLY A 48 -1.241 -1.216 -13.854 1.00 0.00 O ATOM 0 H GLY A 48 1.079 -4.109 -11.852 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.351 -2.059 -12.828 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.803 -2.690 -14.368 1.00 0.00 H new ATOM 784 N LYS A 49 -1.448 -2.465 -11.991 1.00 0.00 N ATOM 785 CA LYS A 49 -2.776 -1.944 -11.673 1.00 0.00 C ATOM 786 C LYS A 49 -2.852 -1.509 -10.217 1.00 0.00 C ATOM 787 O LYS A 49 -2.614 -2.303 -9.308 1.00 0.00 O ATOM 788 CB LYS A 49 -3.830 -3.022 -11.942 1.00 0.00 C ATOM 789 CG LYS A 49 -5.239 -2.414 -11.857 1.00 0.00 C ATOM 790 CD LYS A 49 -5.563 -1.612 -13.128 1.00 0.00 C ATOM 791 CE LYS A 49 -5.477 -2.514 -14.364 1.00 0.00 C ATOM 792 NZ LYS A 49 -6.479 -2.069 -15.372 1.00 0.00 N ATOM 0 H LYS A 49 -1.091 -3.154 -11.329 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.967 -1.076 -12.305 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.672 -3.458 -12.928 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.729 -3.829 -11.217 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.975 -3.207 -11.724 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.308 -1.765 -10.984 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.562 -1.184 -13.051 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.867 -0.780 -13.228 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.474 -2.472 -14.789 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.662 -3.551 -14.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.422 -2.680 -16.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.433 -2.130 -14.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.282 -1.085 -15.646 1.00 0.00 H new ATOM 806 N VAL A 50 -3.188 -0.242 -10.005 1.00 0.00 N ATOM 807 CA VAL A 50 -3.295 0.295 -8.655 1.00 0.00 C ATOM 808 C VAL A 50 -4.456 -0.358 -7.907 1.00 0.00 C ATOM 809 O VAL A 50 -5.601 0.080 -8.018 1.00 0.00 O ATOM 810 CB VAL A 50 -3.509 1.809 -8.711 1.00 0.00 C ATOM 811 CG1 VAL A 50 -3.451 2.387 -7.295 1.00 0.00 C ATOM 812 CG2 VAL A 50 -2.412 2.446 -9.566 1.00 0.00 C ATOM 0 H VAL A 50 -3.390 0.429 -10.746 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.368 0.078 -8.124 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.484 2.022 -9.150 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.603 3.466 -7.336 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.231 1.933 -6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.477 2.175 -6.855 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.563 3.525 -9.607 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.438 2.232 -9.126 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.453 2.035 -10.575 1.00 0.00 H new ATOM 822 N LEU A 51 -4.154 -1.407 -7.148 1.00 0.00 N ATOM 823 CA LEU A 51 -5.176 -2.113 -6.389 1.00 0.00 C ATOM 824 C LEU A 51 -5.985 -1.150 -5.535 1.00 0.00 C ATOM 825 O LEU A 51 -5.640 0.025 -5.400 1.00 0.00 O ATOM 826 CB LEU A 51 -4.529 -3.157 -5.478 1.00 0.00 C ATOM 827 CG LEU A 51 -3.858 -4.246 -6.322 1.00 0.00 C ATOM 828 CD1 LEU A 51 -3.058 -5.187 -5.405 1.00 0.00 C ATOM 829 CD2 LEU A 51 -4.927 -5.045 -7.084 1.00 0.00 C ATOM 0 H LEU A 51 -3.212 -1.785 -7.043 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.841 -2.601 -7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.792 -2.681 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.283 -3.602 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.182 -3.782 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.581 -5.961 -6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.295 -4.617 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.731 -5.650 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.445 -5.818 -7.683 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.610 -5.510 -6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.485 -4.375 -7.738 1.00 0.00 H new ATOM 841 N GLN A 52 -7.059 -1.667 -4.952 1.00 0.00 N ATOM 842 CA GLN A 52 -7.928 -0.865 -4.095 1.00 0.00 C ATOM 843 C GLN A 52 -7.886 -1.398 -2.664 1.00 0.00 C ATOM 844 O GLN A 52 -7.422 -2.511 -2.419 1.00 0.00 O ATOM 845 CB GLN A 52 -9.371 -0.895 -4.620 1.00 0.00 C ATOM 846 CG GLN A 52 -9.373 -1.279 -6.101 1.00 0.00 C ATOM 847 CD GLN A 52 -10.754 -1.035 -6.703 1.00 0.00 C ATOM 848 OE1 GLN A 52 -10.936 -1.164 -7.913 1.00 0.00 O ATOM 849 NE2 GLN A 52 -11.741 -0.687 -5.924 1.00 0.00 N ATOM 0 H GLN A 52 -7.351 -2.639 -5.056 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.572 0.165 -4.104 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.961 -1.611 -4.048 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.837 0.081 -4.487 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.625 -0.695 -6.637 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.099 -2.328 -6.213 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.586 -0.581 -4.921 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.667 -0.521 -6.318 1.00 0.00 H new ATOM 858 N ASP A 53 -8.366 -0.594 -1.726 1.00 0.00 N ATOM 859 CA ASP A 53 -8.372 -0.985 -0.320 1.00 0.00 C ATOM 860 C ASP A 53 -9.550 -1.906 -0.006 1.00 0.00 C ATOM 861 O ASP A 53 -9.596 -2.527 1.055 1.00 0.00 O ATOM 862 CB ASP A 53 -8.472 0.261 0.554 1.00 0.00 C ATOM 863 CG ASP A 53 -7.233 1.130 0.370 1.00 0.00 C ATOM 864 OD1 ASP A 53 -6.140 0.608 0.514 1.00 0.00 O ATOM 865 OD2 ASP A 53 -7.395 2.306 0.088 1.00 0.00 O ATOM 0 H ASP A 53 -8.756 0.331 -1.910 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.446 -1.521 -0.114 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.366 0.828 0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.572 -0.026 1.601 1.00 0.00 H new ATOM 870 N SER A 54 -10.512 -1.961 -0.918 1.00 0.00 N ATOM 871 CA SER A 54 -11.708 -2.780 -0.711 1.00 0.00 C ATOM 872 C SER A 54 -11.640 -4.123 -1.441 1.00 0.00 C ATOM 873 O SER A 54 -12.656 -4.810 -1.555 1.00 0.00 O ATOM 874 CB SER A 54 -12.941 -2.013 -1.188 1.00 0.00 C ATOM 875 OG SER A 54 -12.880 -1.860 -2.600 1.00 0.00 O ATOM 0 H SER A 54 -10.492 -1.454 -1.803 1.00 0.00 H new ATOM 0 HA SER A 54 -11.771 -2.990 0.357 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.848 -2.548 -0.907 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.985 -1.036 -0.706 1.00 0.00 H new ATOM 0 HG SER A 54 -13.670 -1.370 -2.910 1.00 0.00 H new ATOM 881 N LYS A 55 -10.462 -4.508 -1.938 1.00 0.00 N ATOM 882 CA LYS A 55 -10.341 -5.783 -2.647 1.00 0.00 C ATOM 883 C LYS A 55 -9.600 -6.811 -1.801 1.00 0.00 C ATOM 884 O LYS A 55 -8.746 -6.462 -0.988 1.00 0.00 O ATOM 885 CB LYS A 55 -9.594 -5.587 -3.967 1.00 0.00 C ATOM 886 CG LYS A 55 -10.417 -4.703 -4.909 1.00 0.00 C ATOM 887 CD LYS A 55 -11.728 -5.409 -5.287 1.00 0.00 C ATOM 888 CE LYS A 55 -12.184 -4.941 -6.672 1.00 0.00 C ATOM 889 NZ LYS A 55 -13.616 -5.303 -6.873 1.00 0.00 N ATOM 0 H LYS A 55 -9.598 -3.970 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.348 -6.149 -2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.623 -5.128 -3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.405 -6.553 -4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.634 -3.749 -4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.842 -4.482 -5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.584 -6.489 -5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.497 -5.190 -4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.054 -3.863 -6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.569 -5.403 -7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.926 -4.985 -7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.726 -6.335 -6.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.196 -4.842 -6.143 1.00 0.00 H new ATOM 903 N THR A 56 -9.925 -8.082 -2.012 1.00 0.00 N ATOM 904 CA THR A 56 -9.272 -9.160 -1.280 1.00 0.00 C ATOM 905 C THR A 56 -8.272 -9.862 -2.180 1.00 0.00 C ATOM 906 O THR A 56 -8.381 -9.811 -3.405 1.00 0.00 O ATOM 907 CB THR A 56 -10.299 -10.170 -0.763 1.00 0.00 C ATOM 908 OG1 THR A 56 -11.097 -10.635 -1.843 1.00 0.00 O ATOM 909 CG2 THR A 56 -11.185 -9.510 0.287 1.00 0.00 C ATOM 0 H THR A 56 -10.632 -8.389 -2.680 1.00 0.00 H new ATOM 0 HA THR A 56 -8.753 -8.728 -0.425 1.00 0.00 H new ATOM 0 HB THR A 56 -9.779 -11.015 -0.312 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.764 -9.955 -2.073 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.915 -10.232 0.653 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.569 -9.164 1.117 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.705 -8.661 -0.157 1.00 0.00 H new ATOM 917 N VAL A 57 -7.296 -10.518 -1.571 1.00 0.00 N ATOM 918 CA VAL A 57 -6.285 -11.227 -2.347 1.00 0.00 C ATOM 919 C VAL A 57 -6.967 -12.091 -3.399 1.00 0.00 C ATOM 920 O VAL A 57 -6.506 -12.194 -4.535 1.00 0.00 O ATOM 921 CB VAL A 57 -5.406 -12.094 -1.424 1.00 0.00 C ATOM 922 CG1 VAL A 57 -5.115 -13.452 -2.076 1.00 0.00 C ATOM 923 CG2 VAL A 57 -4.080 -11.374 -1.164 1.00 0.00 C ATOM 0 H VAL A 57 -7.181 -10.576 -0.559 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.641 -10.501 -2.843 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.939 -12.256 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.493 -14.050 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.053 -13.974 -2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.591 -13.298 -3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.456 -11.985 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.564 -11.210 -2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.275 -10.414 -0.685 1.00 0.00 H new ATOM 933 N SER A 58 -8.074 -12.704 -3.004 1.00 0.00 N ATOM 934 CA SER A 58 -8.830 -13.553 -3.909 1.00 0.00 C ATOM 935 C SER A 58 -9.335 -12.734 -5.087 1.00 0.00 C ATOM 936 O SER A 58 -9.377 -13.212 -6.220 1.00 0.00 O ATOM 937 CB SER A 58 -10.011 -14.160 -3.163 1.00 0.00 C ATOM 938 OG SER A 58 -10.556 -15.227 -3.928 1.00 0.00 O ATOM 0 H SER A 58 -8.466 -12.629 -2.065 1.00 0.00 H new ATOM 0 HA SER A 58 -8.185 -14.349 -4.281 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.690 -14.525 -2.187 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.772 -13.400 -2.985 1.00 0.00 H new ATOM 0 HG SER A 58 -11.315 -15.619 -3.448 1.00 0.00 H new ATOM 944 N GLU A 59 -9.707 -11.492 -4.806 1.00 0.00 N ATOM 945 CA GLU A 59 -10.197 -10.601 -5.845 1.00 0.00 C ATOM 946 C GLU A 59 -9.029 -10.088 -6.672 1.00 0.00 C ATOM 947 O GLU A 59 -9.131 -9.942 -7.890 1.00 0.00 O ATOM 948 CB GLU A 59 -10.945 -9.426 -5.214 1.00 0.00 C ATOM 949 CG GLU A 59 -12.309 -9.902 -4.709 1.00 0.00 C ATOM 950 CD GLU A 59 -13.029 -8.761 -3.998 1.00 0.00 C ATOM 951 OE1 GLU A 59 -13.523 -7.880 -4.683 1.00 0.00 O ATOM 952 OE2 GLU A 59 -13.077 -8.786 -2.778 1.00 0.00 O ATOM 0 H GLU A 59 -9.679 -11.082 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.881 -11.149 -6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.364 -9.012 -4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.074 -8.628 -5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.911 -10.258 -5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.180 -10.743 -4.027 1.00 0.00 H new ATOM 959 N CYS A 60 -7.913 -9.825 -6.000 1.00 0.00 N ATOM 960 CA CYS A 60 -6.722 -9.338 -6.689 1.00 0.00 C ATOM 961 C CYS A 60 -6.204 -10.396 -7.658 1.00 0.00 C ATOM 962 O CYS A 60 -5.601 -10.073 -8.681 1.00 0.00 O ATOM 963 CB CYS A 60 -5.628 -9.000 -5.676 1.00 0.00 C ATOM 964 SG CYS A 60 -4.114 -8.555 -6.561 1.00 0.00 S ATOM 0 H CYS A 60 -7.808 -9.939 -4.992 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.989 -8.440 -7.246 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.947 -8.175 -5.040 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.444 -9.853 -5.023 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.269 -8.789 -7.830 1.00 0.00 H new ATOM 970 N GLY A 61 -6.448 -11.661 -7.328 1.00 0.00 N ATOM 971 CA GLY A 61 -6.008 -12.765 -8.175 1.00 0.00 C ATOM 972 C GLY A 61 -4.666 -13.321 -7.710 1.00 0.00 C ATOM 973 O GLY A 61 -4.081 -14.181 -8.369 1.00 0.00 O ATOM 0 H GLY A 61 -6.945 -11.946 -6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.757 -13.557 -8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.924 -12.423 -9.207 1.00 0.00 H new ATOM 977 N LEU A 62 -4.179 -12.830 -6.574 1.00 0.00 N ATOM 978 CA LEU A 62 -2.905 -13.292 -6.043 1.00 0.00 C ATOM 979 C LEU A 62 -2.999 -14.738 -5.593 1.00 0.00 C ATOM 980 O LEU A 62 -4.068 -15.221 -5.215 1.00 0.00 O ATOM 981 CB LEU A 62 -2.476 -12.424 -4.860 1.00 0.00 C ATOM 982 CG LEU A 62 -2.073 -11.040 -5.361 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.222 -10.019 -4.231 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.618 -11.070 -5.837 1.00 0.00 C ATOM 0 H LEU A 62 -4.644 -12.119 -6.009 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.164 -13.216 -6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.293 -12.339 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.641 -12.890 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.720 -10.755 -6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.933 -9.032 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.259 -9.994 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.579 -10.302 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.332 -10.081 -6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.030 -11.358 -5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.515 -11.792 -6.647 1.00 0.00 H new ATOM 996 N LYS A 63 -1.866 -15.421 -5.632 1.00 0.00 N ATOM 997 CA LYS A 63 -1.804 -16.817 -5.224 1.00 0.00 C ATOM 998 C LYS A 63 -0.606 -17.053 -4.309 1.00 0.00 C ATOM 999 O LYS A 63 -0.028 -16.109 -3.771 1.00 0.00 O ATOM 1000 CB LYS A 63 -1.727 -17.715 -6.460 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.527 -17.321 -7.328 1.00 0.00 C ATOM 1002 CD LYS A 63 0.761 -17.906 -6.738 1.00 0.00 C ATOM 1003 CE LYS A 63 1.779 -18.165 -7.856 1.00 0.00 C ATOM 1004 NZ LYS A 63 3.159 -18.038 -7.307 1.00 0.00 N ATOM 0 H LYS A 63 -0.976 -15.032 -5.942 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.708 -17.065 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.638 -18.758 -6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.647 -17.629 -7.038 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.669 -17.685 -8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.450 -16.235 -7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.181 -17.217 -6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.541 -18.835 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.632 -19.161 -8.273 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.632 -17.454 -8.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.811 -18.624 -7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.461 -17.044 -7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.170 -18.357 -6.317 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.247 -18.317 -4.129 1.00 0.00 N ATOM 1019 CA ASP A 64 0.875 -18.670 -3.264 1.00 0.00 C ATOM 1020 C ASP A 64 2.207 -18.483 -3.980 1.00 0.00 C ATOM 1021 O ASP A 64 2.453 -19.076 -5.030 1.00 0.00 O ATOM 1022 CB ASP A 64 0.741 -20.125 -2.809 1.00 0.00 C ATOM 1023 CG ASP A 64 0.899 -21.061 -4.001 1.00 0.00 C ATOM 1024 OD1 ASP A 64 0.104 -20.958 -4.920 1.00 0.00 O ATOM 1025 OD2 ASP A 64 1.814 -21.869 -3.978 1.00 0.00 O ATOM 0 H ASP A 64 -0.712 -19.112 -4.567 1.00 0.00 H new ATOM 0 HA ASP A 64 0.855 -18.007 -2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.497 -20.350 -2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.231 -20.280 -2.341 1.00 0.00 H new ATOM 1030 N GLY A 65 3.073 -17.669 -3.387 1.00 0.00 N ATOM 1031 CA GLY A 65 4.394 -17.423 -3.963 1.00 0.00 C ATOM 1032 C GLY A 65 4.369 -16.319 -5.022 1.00 0.00 C ATOM 1033 O GLY A 65 5.382 -16.062 -5.674 1.00 0.00 O ATOM 0 H GLY A 65 2.889 -17.171 -2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.088 -17.147 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.770 -18.343 -4.410 1.00 0.00 H new ATOM 1037 N ASP A 66 3.222 -15.670 -5.199 1.00 0.00 N ATOM 1038 CA ASP A 66 3.114 -14.607 -6.195 1.00 0.00 C ATOM 1039 C ASP A 66 3.902 -13.373 -5.756 1.00 0.00 C ATOM 1040 O ASP A 66 4.545 -13.369 -4.704 1.00 0.00 O ATOM 1041 CB ASP A 66 1.637 -14.234 -6.417 1.00 0.00 C ATOM 1042 CG ASP A 66 1.293 -14.260 -7.906 1.00 0.00 C ATOM 1043 OD1 ASP A 66 1.787 -15.137 -8.595 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.541 -13.401 -8.335 1.00 0.00 O ATOM 0 H ASP A 66 2.367 -15.856 -4.676 1.00 0.00 H new ATOM 0 HA ASP A 66 3.534 -14.973 -7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.995 -14.931 -5.878 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.442 -13.242 -6.011 1.00 0.00 H new ATOM 1049 N GLN A 67 3.842 -12.326 -6.570 1.00 0.00 N ATOM 1050 CA GLN A 67 4.545 -11.085 -6.266 1.00 0.00 C ATOM 1051 C GLN A 67 3.650 -9.891 -6.569 1.00 0.00 C ATOM 1052 O GLN A 67 2.894 -9.906 -7.540 1.00 0.00 O ATOM 1053 CB GLN A 67 5.827 -10.992 -7.098 1.00 0.00 C ATOM 1054 CG GLN A 67 6.578 -12.322 -7.028 1.00 0.00 C ATOM 1055 CD GLN A 67 7.909 -12.210 -7.765 1.00 0.00 C ATOM 1056 OE1 GLN A 67 8.334 -13.156 -8.426 1.00 0.00 O ATOM 1057 NE2 GLN A 67 8.595 -11.102 -7.689 1.00 0.00 N ATOM 0 H GLN A 67 3.315 -12.311 -7.443 1.00 0.00 H new ATOM 0 HA GLN A 67 4.804 -11.078 -5.207 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.585 -10.753 -8.134 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.458 -10.186 -6.724 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.751 -12.597 -5.988 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.974 -13.114 -7.470 1.00 0.00 H new ATOM 0 HE21 GLN A 67 8.240 -10.319 -7.140 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.486 -11.019 -8.179 1.00 0.00 H new ATOM 1066 N VAL A 68 3.731 -8.861 -5.731 1.00 0.00 N ATOM 1067 CA VAL A 68 2.913 -7.671 -5.919 1.00 0.00 C ATOM 1068 C VAL A 68 3.788 -6.425 -5.976 1.00 0.00 C ATOM 1069 O VAL A 68 4.506 -6.114 -5.027 1.00 0.00 O ATOM 1070 CB VAL A 68 1.908 -7.549 -4.763 1.00 0.00 C ATOM 1071 CG1 VAL A 68 0.566 -7.033 -5.291 1.00 0.00 C ATOM 1072 CG2 VAL A 68 1.702 -8.923 -4.118 1.00 0.00 C ATOM 0 H VAL A 68 4.351 -8.828 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 68 2.374 -7.760 -6.862 1.00 0.00 H new ATOM 0 HB VAL A 68 2.298 -6.850 -4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.142 -6.949 -4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.707 -6.054 -5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.176 -7.728 -6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.989 -8.837 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.317 -9.620 -4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.654 -9.291 -3.734 1.00 0.00 H new ATOM 1082 N VAL A 69 3.715 -5.709 -7.089 1.00 0.00 N ATOM 1083 CA VAL A 69 4.493 -4.496 -7.244 1.00 0.00 C ATOM 1084 C VAL A 69 3.860 -3.389 -6.419 1.00 0.00 C ATOM 1085 O VAL A 69 2.640 -3.300 -6.329 1.00 0.00 O ATOM 1086 CB VAL A 69 4.543 -4.086 -8.716 1.00 0.00 C ATOM 1087 CG1 VAL A 69 5.512 -2.914 -8.893 1.00 0.00 C ATOM 1088 CG2 VAL A 69 5.022 -5.271 -9.558 1.00 0.00 C ATOM 0 H VAL A 69 3.129 -5.947 -7.890 1.00 0.00 H new ATOM 0 HA VAL A 69 5.511 -4.673 -6.898 1.00 0.00 H new ATOM 0 HB VAL A 69 3.547 -3.784 -9.040 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.545 -2.625 -9.943 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.174 -2.068 -8.294 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.508 -3.213 -8.568 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.058 -4.980 -10.608 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.017 -5.572 -9.230 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.332 -6.106 -9.436 1.00 0.00 H new ATOM 1098 N PHE A 70 4.689 -2.560 -5.806 1.00 0.00 N ATOM 1099 CA PHE A 70 4.178 -1.469 -4.981 1.00 0.00 C ATOM 1100 C PHE A 70 5.168 -0.309 -4.917 1.00 0.00 C ATOM 1101 O PHE A 70 6.288 -0.402 -5.419 1.00 0.00 O ATOM 1102 CB PHE A 70 3.889 -1.980 -3.564 1.00 0.00 C ATOM 1103 CG PHE A 70 5.150 -1.928 -2.733 1.00 0.00 C ATOM 1104 CD1 PHE A 70 6.154 -2.884 -2.920 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.314 -0.918 -1.778 1.00 0.00 C ATOM 1106 CE1 PHE A 70 7.322 -2.832 -2.152 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.480 -0.865 -1.008 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.486 -1.821 -1.195 1.00 0.00 C ATOM 0 H PHE A 70 5.706 -2.617 -5.860 1.00 0.00 H new ATOM 0 HA PHE A 70 3.257 -1.105 -5.437 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.112 -1.373 -3.100 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.512 -3.002 -3.606 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.027 -3.663 -3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.539 -0.179 -1.636 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.097 -3.570 -2.296 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.605 -0.087 -0.269 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.388 -1.779 -0.602 1.00 0.00 H new ATOM 1118 N MET A 71 4.738 0.782 -4.288 1.00 0.00 N ATOM 1119 CA MET A 71 5.581 1.967 -4.148 1.00 0.00 C ATOM 1120 C MET A 71 5.101 2.816 -2.971 1.00 0.00 C ATOM 1121 O MET A 71 3.904 2.878 -2.688 1.00 0.00 O ATOM 1122 CB MET A 71 5.538 2.798 -5.440 1.00 0.00 C ATOM 1123 CG MET A 71 6.812 2.564 -6.259 1.00 0.00 C ATOM 1124 SD MET A 71 6.779 3.608 -7.737 1.00 0.00 S ATOM 1125 CE MET A 71 7.577 5.059 -7.008 1.00 0.00 C ATOM 0 H MET A 71 3.813 0.870 -3.868 1.00 0.00 H new ATOM 0 HA MET A 71 6.607 1.649 -3.962 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.662 2.524 -6.029 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.441 3.856 -5.198 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.691 2.794 -5.657 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.887 1.514 -6.544 1.00 0.00 H new ATOM 0 HE1 MET A 71 7.661 5.844 -7.760 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.980 5.421 -6.171 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.571 4.788 -6.654 1.00 0.00 H new ATOM 1135 N VAL A 72 6.039 3.470 -2.290 1.00 0.00 N ATOM 1136 CA VAL A 72 5.695 4.313 -1.145 1.00 0.00 C ATOM 1137 C VAL A 72 5.733 5.788 -1.530 1.00 0.00 C ATOM 1138 O VAL A 72 6.726 6.273 -2.073 1.00 0.00 O ATOM 1139 CB VAL A 72 6.667 4.061 0.008 1.00 0.00 C ATOM 1140 CG1 VAL A 72 6.144 4.744 1.276 1.00 0.00 C ATOM 1141 CG2 VAL A 72 6.785 2.555 0.255 1.00 0.00 C ATOM 0 H VAL A 72 7.035 3.434 -2.507 1.00 0.00 H new ATOM 0 HA VAL A 72 4.684 4.058 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 72 7.646 4.467 -0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.837 4.564 2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.057 5.817 1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.165 4.338 1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.478 2.374 1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.806 2.150 0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.156 2.066 -0.646 1.00 0.00 H new ATOM 1151 N SER A 73 4.644 6.495 -1.242 1.00 0.00 N ATOM 1152 CA SER A 73 4.561 7.918 -1.559 1.00 0.00 C ATOM 1153 C SER A 73 5.032 8.758 -0.376 1.00 0.00 C ATOM 1154 O SER A 73 5.359 8.226 0.685 1.00 0.00 O ATOM 1155 CB SER A 73 3.120 8.291 -1.910 1.00 0.00 C ATOM 1156 OG SER A 73 2.787 7.733 -3.175 1.00 0.00 O ATOM 0 H SER A 73 3.813 6.110 -0.793 1.00 0.00 H new ATOM 0 HA SER A 73 5.207 8.120 -2.414 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.439 7.919 -1.145 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.009 9.375 -1.937 1.00 0.00 H new ATOM 0 HG SER A 73 1.863 7.968 -3.403 1.00 0.00 H new ATOM 1162 N GLN A 74 5.063 10.074 -0.566 1.00 0.00 N ATOM 1163 CA GLN A 74 5.497 10.982 0.491 1.00 0.00 C ATOM 1164 C GLN A 74 4.304 11.455 1.317 1.00 0.00 C ATOM 1165 O GLN A 74 3.152 11.207 0.961 1.00 0.00 O ATOM 1166 CB GLN A 74 6.208 12.191 -0.119 1.00 0.00 C ATOM 1167 CG GLN A 74 7.358 11.713 -1.007 1.00 0.00 C ATOM 1168 CD GLN A 74 8.259 12.887 -1.373 1.00 0.00 C ATOM 1169 OE1 GLN A 74 9.401 12.690 -1.787 1.00 0.00 O ATOM 1170 NE2 GLN A 74 7.809 14.106 -1.247 1.00 0.00 N ATOM 0 H GLN A 74 4.795 10.533 -1.436 1.00 0.00 H new ATOM 0 HA GLN A 74 6.186 10.446 1.144 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.504 12.783 -0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.589 12.838 0.671 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.936 10.949 -0.487 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.962 11.252 -1.912 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.862 14.267 -0.904 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.404 14.897 -1.492 1.00 0.00 H new ATOM 1179 N LYS A 75 4.590 12.137 2.422 1.00 0.00 N ATOM 1180 CA LYS A 75 3.537 12.643 3.296 1.00 0.00 C ATOM 1181 C LYS A 75 3.090 14.031 2.849 1.00 0.00 C ATOM 1182 O LYS A 75 3.755 15.028 3.130 1.00 0.00 O ATOM 1183 CB LYS A 75 4.047 12.707 4.739 1.00 0.00 C ATOM 1184 CG LYS A 75 4.174 11.283 5.309 1.00 0.00 C ATOM 1185 CD LYS A 75 5.488 11.144 6.085 1.00 0.00 C ATOM 1186 CE LYS A 75 5.455 12.049 7.318 1.00 0.00 C ATOM 1187 NZ LYS A 75 6.575 11.683 8.230 1.00 0.00 N ATOM 0 H LYS A 75 5.538 12.351 2.732 1.00 0.00 H new ATOM 0 HA LYS A 75 2.685 11.966 3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.014 13.209 4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.362 13.294 5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.330 11.068 5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.142 10.554 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.636 10.107 6.387 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.329 11.413 5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.542 13.093 7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.501 11.944 7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.554 12.297 9.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.473 10.691 8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.481 11.805 7.734 1.00 0.00 H new ATOM 1201 N LYS A 76 1.962 14.088 2.149 1.00 0.00 N ATOM 1202 CA LYS A 76 1.434 15.360 1.665 1.00 0.00 C ATOM 1203 C LYS A 76 0.648 16.069 2.763 1.00 0.00 C ATOM 1204 O LYS A 76 0.568 15.588 3.893 1.00 0.00 O ATOM 1205 CB LYS A 76 0.527 15.122 0.456 1.00 0.00 C ATOM 1206 CG LYS A 76 1.202 14.136 -0.501 1.00 0.00 C ATOM 1207 CD LYS A 76 0.392 14.046 -1.795 1.00 0.00 C ATOM 1208 CE LYS A 76 1.075 13.071 -2.757 1.00 0.00 C ATOM 1209 NZ LYS A 76 2.310 13.700 -3.306 1.00 0.00 N ATOM 0 H LYS A 76 1.398 13.274 1.905 1.00 0.00 H new ATOM 0 HA LYS A 76 2.273 15.991 1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.436 14.728 0.782 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.329 16.064 -0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.219 14.462 -0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.275 13.153 -0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.622 13.710 -1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.311 15.031 -2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.325 12.146 -2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.396 12.808 -3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.654 13.143 -4.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.097 14.668 -3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.043 13.728 -2.568 1.00 0.00 H new ATOM 1223 N SER A 77 0.067 17.215 2.420 1.00 0.00 N ATOM 1224 CA SER A 77 -0.712 17.984 3.383 1.00 0.00 C ATOM 1225 C SER A 77 -1.809 17.120 3.998 1.00 0.00 C ATOM 1226 O SER A 77 -2.400 17.482 5.015 1.00 0.00 O ATOM 1227 CB SER A 77 -1.340 19.197 2.698 1.00 0.00 C ATOM 1228 OG SER A 77 -2.481 18.782 1.958 1.00 0.00 O ATOM 0 H SER A 77 0.120 17.629 1.489 1.00 0.00 H new ATOM 0 HA SER A 77 -0.043 18.321 4.175 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.626 19.941 3.441 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.615 19.670 2.035 1.00 0.00 H new ATOM 0 HG SER A 77 -2.887 19.559 1.519 1.00 0.00 H new ATOM 1234 N THR A 78 -2.077 15.979 3.371 1.00 0.00 N ATOM 1235 CA THR A 78 -3.106 15.071 3.865 1.00 0.00 C ATOM 1236 C THR A 78 -2.772 14.600 5.277 1.00 0.00 C ATOM 1237 O THR A 78 -2.130 15.347 5.995 1.00 0.00 O ATOM 1238 CB THR A 78 -3.226 13.862 2.936 1.00 0.00 C ATOM 1239 OG1 THR A 78 -4.288 13.029 3.380 1.00 0.00 O ATOM 1240 CG2 THR A 78 -1.915 13.073 2.951 1.00 0.00 C ATOM 0 H THR A 78 -1.600 15.663 2.527 1.00 0.00 H new ATOM 0 HA THR A 78 -4.055 15.606 3.888 1.00 0.00 H new ATOM 0 HB THR A 78 -3.431 14.202 1.921 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.367 12.255 2.785 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.001 12.212 2.289 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.101 13.713 2.610 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.707 12.732 3.965 1.00 0.00 H new TER 1248 THR A 78