USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 507 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 4 GLN : amide:sc= 0 X(o=-0.34,f=-0.34) USER MOD Set 1.2: A 6 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.17) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0013 (180deg=-0.272) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 6:sc= 0.102 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0364 X(o=-0.036,f=-0.24) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc=-0.00127 X(o=-0.0013,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -83:sc= 0.724 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0353) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.083 -24.150 12.188 1.00 0.00 N ATOM 2 CA MET A 1 11.750 -23.597 12.401 1.00 0.00 C ATOM 3 C MET A 1 10.799 -24.025 11.287 1.00 0.00 C ATOM 4 O MET A 1 9.757 -24.627 11.545 1.00 0.00 O ATOM 5 CB MET A 1 11.814 -22.070 12.474 1.00 0.00 C ATOM 6 CG MET A 1 11.481 -21.513 13.849 1.00 0.00 C ATOM 7 SD MET A 1 10.882 -19.814 13.784 1.00 0.00 S ATOM 8 CE MET A 1 12.164 -19.040 12.802 1.00 0.00 C ATOM 0 H1 MET A 1 13.712 -23.845 12.958 1.00 0.00 H new ATOM 0 H2 MET A 1 13.030 -25.189 12.175 1.00 0.00 H new ATOM 0 H3 MET A 1 13.458 -23.811 11.279 1.00 0.00 H new ATOM 0 HA MET A 1 11.370 -23.983 13.347 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.814 -21.742 12.191 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.122 -21.650 11.744 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.725 -22.143 14.318 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.369 -21.557 14.479 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.066 -17.956 12.864 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.142 -19.338 13.180 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.066 -19.354 11.763 1.00 0.00 H new ATOM 18 N VAL A 2 11.165 -23.709 10.049 1.00 0.00 N ATOM 19 CA VAL A 2 10.345 -24.061 8.896 1.00 0.00 C ATOM 20 C VAL A 2 10.046 -25.556 8.871 1.00 0.00 C ATOM 21 O VAL A 2 10.887 -26.361 8.471 1.00 0.00 O ATOM 22 CB VAL A 2 11.031 -23.664 7.576 1.00 0.00 C ATOM 23 CG1 VAL A 2 10.940 -22.161 7.358 1.00 0.00 C ATOM 24 CG2 VAL A 2 12.481 -24.124 7.570 1.00 0.00 C ATOM 0 H VAL A 2 12.024 -23.210 9.819 1.00 0.00 H new ATOM 0 HA VAL A 2 9.411 -23.507 8.991 1.00 0.00 H new ATOM 0 HB VAL A 2 10.513 -24.159 6.754 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.430 -21.899 6.420 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.893 -21.862 7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.432 -21.643 8.182 1.00 0.00 H new ATOM 0 HG21 VAL A 2 12.950 -23.835 6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 2 13.014 -23.659 8.399 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.519 -25.208 7.677 1.00 0.00 H new ATOM 34 N SER A 3 8.842 -25.921 9.300 1.00 0.00 N ATOM 35 CA SER A 3 8.432 -27.320 9.329 1.00 0.00 C ATOM 36 C SER A 3 6.946 -27.458 9.012 1.00 0.00 C ATOM 37 O SER A 3 6.113 -27.532 9.915 1.00 0.00 O ATOM 38 CB SER A 3 8.732 -27.932 10.699 1.00 0.00 C ATOM 39 OG SER A 3 10.121 -28.156 10.864 1.00 0.00 O ATOM 0 H SER A 3 8.133 -25.267 9.632 1.00 0.00 H new ATOM 0 HA SER A 3 8.999 -27.855 8.567 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.372 -27.268 11.484 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.193 -28.874 10.806 1.00 0.00 H new ATOM 0 HG SER A 3 10.606 -27.783 10.098 1.00 0.00 H new ATOM 45 N GLN A 4 6.623 -27.490 7.723 1.00 0.00 N ATOM 46 CA GLN A 4 5.238 -27.618 7.287 1.00 0.00 C ATOM 47 C GLN A 4 5.131 -28.542 6.077 1.00 0.00 C ATOM 48 O GLN A 4 6.123 -29.125 5.639 1.00 0.00 O ATOM 49 CB GLN A 4 4.659 -26.244 6.946 1.00 0.00 C ATOM 50 CG GLN A 4 5.371 -25.552 5.795 1.00 0.00 C ATOM 51 CD GLN A 4 4.976 -24.095 5.655 1.00 0.00 C ATOM 52 OE1 GLN A 4 3.795 -23.752 5.719 1.00 0.00 O ATOM 53 NE2 GLN A 4 5.964 -23.230 5.462 1.00 0.00 N ATOM 0 H GLN A 4 7.301 -27.429 6.963 1.00 0.00 H new ATOM 0 HA GLN A 4 4.665 -28.053 8.106 1.00 0.00 H new ATOM 0 HB2 GLN A 4 3.604 -26.356 6.695 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.711 -25.608 7.829 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.448 -25.619 5.946 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.146 -26.076 4.866 1.00 0.00 H new ATOM 0 HE21 GLN A 4 6.928 -23.559 5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 4 5.759 -22.236 5.360 1.00 0.00 H new ATOM 62 N LYS A 5 3.922 -28.670 5.542 1.00 0.00 N ATOM 63 CA LYS A 5 3.685 -29.522 4.383 1.00 0.00 C ATOM 64 C LYS A 5 3.728 -28.709 3.093 1.00 0.00 C ATOM 65 O LYS A 5 4.586 -28.929 2.239 1.00 0.00 O ATOM 66 CB LYS A 5 2.331 -30.225 4.509 1.00 0.00 C ATOM 67 CG LYS A 5 2.221 -31.487 3.671 1.00 0.00 C ATOM 68 CD LYS A 5 0.970 -32.278 4.016 1.00 0.00 C ATOM 69 CE LYS A 5 1.277 -33.416 4.977 1.00 0.00 C ATOM 70 NZ LYS A 5 1.418 -34.718 4.268 1.00 0.00 N ATOM 0 H LYS A 5 3.091 -28.194 5.893 1.00 0.00 H new ATOM 0 HA LYS A 5 4.475 -30.272 4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.158 -30.477 5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.543 -29.533 4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.205 -31.223 2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.102 -32.109 3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.230 -31.614 4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.529 -32.680 3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.197 -33.196 5.518 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.481 -33.490 5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.627 -35.468 4.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.532 -34.941 3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.194 -34.656 3.579 1.00 0.00 H new ATOM 84 N ASN A 6 2.798 -27.769 2.959 1.00 0.00 N ATOM 85 CA ASN A 6 2.731 -26.923 1.773 1.00 0.00 C ATOM 86 C ASN A 6 4.004 -26.096 1.623 1.00 0.00 C ATOM 87 O ASN A 6 4.499 -25.517 2.589 1.00 0.00 O ATOM 88 CB ASN A 6 1.515 -25.998 1.848 1.00 0.00 C ATOM 89 CG ASN A 6 1.770 -24.777 2.710 1.00 0.00 C ATOM 90 OD1 ASN A 6 1.584 -24.812 3.927 1.00 0.00 O ATOM 91 ND2 ASN A 6 2.196 -23.688 2.081 1.00 0.00 N ATOM 0 H ASN A 6 2.080 -27.574 3.657 1.00 0.00 H new ATOM 0 HA ASN A 6 2.633 -27.570 0.901 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.242 -25.679 0.842 1.00 0.00 H new ATOM 0 HB3 ASN A 6 0.665 -26.551 2.248 1.00 0.00 H new ATOM 0 HD21 ASN A 6 2.383 -22.835 2.608 1.00 0.00 H new ATOM 0 HD22 ASN A 6 2.336 -23.705 1.071 1.00 0.00 H new ATOM 98 N GLY A 7 4.530 -26.044 0.402 1.00 0.00 N ATOM 99 CA GLY A 7 5.740 -25.285 0.147 1.00 0.00 C ATOM 100 C GLY A 7 5.806 -24.758 -1.273 1.00 0.00 C ATOM 101 O GLY A 7 6.102 -23.584 -1.493 1.00 0.00 O ATOM 0 H GLY A 7 4.139 -26.514 -0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.794 -24.449 0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.608 -25.916 0.338 1.00 0.00 H new ATOM 105 N ILE A 8 5.531 -25.629 -2.238 1.00 0.00 N ATOM 106 CA ILE A 8 5.561 -25.245 -3.644 1.00 0.00 C ATOM 107 C ILE A 8 4.160 -24.937 -4.160 1.00 0.00 C ATOM 108 O ILE A 8 3.778 -25.372 -5.246 1.00 0.00 O ATOM 109 CB ILE A 8 6.186 -26.350 -4.516 1.00 0.00 C ATOM 110 CG1 ILE A 8 5.436 -27.669 -4.322 1.00 0.00 C ATOM 111 CG2 ILE A 8 7.661 -26.519 -4.181 1.00 0.00 C ATOM 112 CD1 ILE A 8 4.967 -28.293 -5.618 1.00 0.00 C ATOM 0 H ILE A 8 5.285 -26.605 -2.072 1.00 0.00 H new ATOM 0 HA ILE A 8 6.176 -24.348 -3.713 1.00 0.00 H new ATOM 0 HB ILE A 8 6.102 -26.057 -5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.085 -28.374 -3.803 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.574 -27.496 -3.678 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.088 -27.303 -4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.186 -25.582 -4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.767 -26.793 -3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.443 -29.225 -5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.292 -27.606 -6.129 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.827 -28.498 -6.255 1.00 0.00 H new ATOM 124 N ALA A 9 3.398 -24.184 -3.373 1.00 0.00 N ATOM 125 CA ALA A 9 2.040 -23.815 -3.752 1.00 0.00 C ATOM 126 C ALA A 9 1.848 -22.303 -3.704 1.00 0.00 C ATOM 127 O ALA A 9 1.688 -21.652 -4.737 1.00 0.00 O ATOM 128 CB ALA A 9 1.032 -24.506 -2.845 1.00 0.00 C ATOM 0 H ALA A 9 3.698 -23.818 -2.470 1.00 0.00 H new ATOM 0 HA ALA A 9 1.874 -24.144 -4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.022 -24.221 -3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.144 -25.587 -2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.207 -24.206 -1.812 1.00 0.00 H new ATOM 134 N THR A 10 1.864 -21.747 -2.496 1.00 0.00 N ATOM 135 CA THR A 10 1.691 -20.312 -2.312 1.00 0.00 C ATOM 136 C THR A 10 2.888 -19.539 -2.855 1.00 0.00 C ATOM 137 O THR A 10 2.735 -18.456 -3.422 1.00 0.00 O ATOM 138 CB THR A 10 1.494 -19.955 -0.827 1.00 0.00 C ATOM 139 OG1 THR A 10 0.560 -20.859 -0.225 1.00 0.00 O ATOM 140 CG2 THR A 10 0.995 -18.526 -0.675 1.00 0.00 C ATOM 0 H THR A 10 1.995 -22.270 -1.630 1.00 0.00 H new ATOM 0 HA THR A 10 0.797 -20.028 -2.867 1.00 0.00 H new ATOM 0 HB THR A 10 2.458 -20.041 -0.325 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.442 -20.626 0.720 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.863 -18.297 0.383 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.722 -17.839 -1.107 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.041 -18.417 -1.191 1.00 0.00 H new ATOM 148 N LEU A 11 4.078 -20.102 -2.678 1.00 0.00 N ATOM 149 CA LEU A 11 5.303 -19.465 -3.151 1.00 0.00 C ATOM 150 C LEU A 11 5.328 -19.399 -4.675 1.00 0.00 C ATOM 151 O LEU A 11 5.894 -18.472 -5.257 1.00 0.00 O ATOM 152 CB LEU A 11 6.527 -20.228 -2.642 1.00 0.00 C ATOM 153 CG LEU A 11 7.341 -19.537 -1.548 1.00 0.00 C ATOM 154 CD1 LEU A 11 7.826 -18.176 -2.023 1.00 0.00 C ATOM 155 CD2 LEU A 11 6.517 -19.398 -0.277 1.00 0.00 C ATOM 0 H LEU A 11 4.221 -20.997 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 11 5.329 -18.448 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.196 -21.196 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.186 -20.424 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 11 8.212 -20.153 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.404 -17.699 -1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.454 -18.301 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.969 -17.551 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.113 -18.904 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.627 -18.804 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.220 -20.386 0.074 1.00 0.00 H new ATOM 167 N LEU A 12 4.711 -20.385 -5.315 1.00 0.00 N ATOM 168 CA LEU A 12 4.660 -20.438 -6.772 1.00 0.00 C ATOM 169 C LEU A 12 4.054 -19.160 -7.343 1.00 0.00 C ATOM 170 O LEU A 12 4.403 -18.734 -8.443 1.00 0.00 O ATOM 171 CB LEU A 12 3.848 -21.650 -7.230 1.00 0.00 C ATOM 172 CG LEU A 12 4.235 -22.244 -8.585 1.00 0.00 C ATOM 173 CD1 LEU A 12 4.326 -23.760 -8.497 1.00 0.00 C ATOM 174 CD2 LEU A 12 3.235 -21.830 -9.655 1.00 0.00 C ATOM 0 H LEU A 12 4.239 -21.159 -4.848 1.00 0.00 H new ATOM 0 HA LEU A 12 5.681 -20.531 -7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.940 -22.430 -6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.797 -21.365 -7.268 1.00 0.00 H new ATOM 0 HG LEU A 12 5.215 -21.857 -8.863 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.602 -24.165 -9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.081 -24.037 -7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.360 -24.166 -8.196 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.527 -22.262 -10.612 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.242 -22.188 -9.383 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.219 -20.743 -9.737 1.00 0.00 H new ATOM 186 N GLN A 13 3.146 -18.552 -6.586 1.00 0.00 N ATOM 187 CA GLN A 13 2.493 -17.322 -7.016 1.00 0.00 C ATOM 188 C GLN A 13 3.481 -16.160 -7.040 1.00 0.00 C ATOM 189 O GLN A 13 3.512 -15.378 -7.989 1.00 0.00 O ATOM 190 CB GLN A 13 1.321 -16.991 -6.091 1.00 0.00 C ATOM 191 CG GLN A 13 -0.033 -17.382 -6.661 1.00 0.00 C ATOM 192 CD GLN A 13 -0.917 -18.075 -5.643 1.00 0.00 C ATOM 193 OE1 GLN A 13 -0.485 -19.002 -4.957 1.00 0.00 O ATOM 194 NE2 GLN A 13 -2.163 -17.628 -5.538 1.00 0.00 N ATOM 0 H GLN A 13 2.846 -18.891 -5.672 1.00 0.00 H new ATOM 0 HA GLN A 13 2.116 -17.476 -8.027 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.466 -17.500 -5.138 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.323 -15.921 -5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.540 -16.490 -7.029 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.114 -18.041 -7.517 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.480 -16.857 -6.126 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.803 -18.055 -4.869 1.00 0.00 H new ATOM 203 N ALA A 14 4.287 -16.054 -5.988 1.00 0.00 N ATOM 204 CA ALA A 14 5.277 -14.989 -5.889 1.00 0.00 C ATOM 205 C ALA A 14 6.361 -15.147 -6.950 1.00 0.00 C ATOM 206 O ALA A 14 6.779 -14.172 -7.573 1.00 0.00 O ATOM 207 CB ALA A 14 5.895 -14.971 -4.499 1.00 0.00 C ATOM 0 H ALA A 14 4.273 -16.693 -5.193 1.00 0.00 H new ATOM 0 HA ALA A 14 4.771 -14.039 -6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.633 -14.171 -4.439 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.115 -14.802 -3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.381 -15.927 -4.304 1.00 0.00 H new ATOM 213 N GLU A 15 6.813 -16.382 -7.149 1.00 0.00 N ATOM 214 CA GLU A 15 7.850 -16.666 -8.133 1.00 0.00 C ATOM 215 C GLU A 15 7.351 -16.381 -9.547 1.00 0.00 C ATOM 216 O GLU A 15 8.046 -15.758 -10.350 1.00 0.00 O ATOM 217 CB GLU A 15 8.303 -18.123 -8.025 1.00 0.00 C ATOM 218 CG GLU A 15 9.257 -18.548 -9.128 1.00 0.00 C ATOM 219 CD GLU A 15 10.105 -19.743 -8.738 1.00 0.00 C ATOM 220 OE1 GLU A 15 11.052 -19.564 -7.943 1.00 0.00 O ATOM 221 OE2 GLU A 15 9.822 -20.857 -9.226 1.00 0.00 O ATOM 0 H GLU A 15 6.477 -17.201 -6.642 1.00 0.00 H new ATOM 0 HA GLU A 15 8.698 -16.013 -7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.787 -18.273 -7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.426 -18.770 -8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.686 -18.790 -10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.909 -17.712 -9.381 1.00 0.00 H new ATOM 228 N LYS A 16 6.141 -16.842 -9.845 1.00 0.00 N ATOM 229 CA LYS A 16 5.546 -16.637 -11.160 1.00 0.00 C ATOM 230 C LYS A 16 5.361 -15.151 -11.448 1.00 0.00 C ATOM 231 O LYS A 16 5.762 -14.660 -12.503 1.00 0.00 O ATOM 232 CB LYS A 16 4.198 -17.357 -11.251 1.00 0.00 C ATOM 233 CG LYS A 16 4.302 -18.778 -11.778 1.00 0.00 C ATOM 234 CD LYS A 16 2.944 -19.318 -12.196 1.00 0.00 C ATOM 235 CE LYS A 16 2.592 -18.901 -13.616 1.00 0.00 C ATOM 236 NZ LYS A 16 1.238 -18.286 -13.694 1.00 0.00 N ATOM 0 H LYS A 16 5.553 -17.361 -9.193 1.00 0.00 H new ATOM 0 HA LYS A 16 6.224 -17.052 -11.906 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.739 -17.378 -10.263 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.533 -16.786 -11.899 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.982 -18.803 -12.629 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.730 -19.422 -11.010 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.946 -20.406 -12.125 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.180 -18.955 -11.509 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.335 -18.191 -13.981 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.634 -19.771 -14.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.036 -18.016 -14.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.526 -18.971 -13.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.205 -17.441 -13.089 1.00 0.00 H new ATOM 250 N GLU A 17 4.752 -14.441 -10.504 1.00 0.00 N ATOM 251 CA GLU A 17 4.515 -13.010 -10.658 1.00 0.00 C ATOM 252 C GLU A 17 5.827 -12.262 -10.876 1.00 0.00 C ATOM 253 O GLU A 17 5.944 -11.448 -11.791 1.00 0.00 O ATOM 254 CB GLU A 17 3.796 -12.454 -9.426 1.00 0.00 C ATOM 255 CG GLU A 17 3.270 -11.042 -9.615 1.00 0.00 C ATOM 256 CD GLU A 17 1.973 -10.798 -8.869 1.00 0.00 C ATOM 257 OE1 GLU A 17 1.790 -11.393 -7.786 1.00 0.00 O ATOM 258 OE2 GLU A 17 1.140 -10.012 -9.368 1.00 0.00 O ATOM 0 H GLU A 17 4.414 -14.833 -9.625 1.00 0.00 H new ATOM 0 HA GLU A 17 3.884 -12.864 -11.535 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.964 -13.112 -9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.482 -12.467 -8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.021 -10.330 -9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.114 -10.856 -10.678 1.00 0.00 H new ATOM 265 N ALA A 18 6.810 -12.544 -10.027 1.00 0.00 N ATOM 266 CA ALA A 18 8.114 -11.900 -10.128 1.00 0.00 C ATOM 267 C ALA A 18 8.730 -12.119 -11.505 1.00 0.00 C ATOM 268 O ALA A 18 9.191 -11.175 -12.147 1.00 0.00 O ATOM 269 CB ALA A 18 9.044 -12.420 -9.042 1.00 0.00 C ATOM 0 H ALA A 18 6.728 -13.214 -9.262 1.00 0.00 H new ATOM 0 HA ALA A 18 7.974 -10.828 -9.989 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.014 -11.931 -9.129 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.616 -12.205 -8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.169 -13.497 -9.155 1.00 0.00 H new ATOM 275 N HIS A 19 8.736 -13.371 -11.953 1.00 0.00 N ATOM 276 CA HIS A 19 9.297 -13.714 -13.255 1.00 0.00 C ATOM 277 C HIS A 19 8.480 -13.086 -14.381 1.00 0.00 C ATOM 278 O HIS A 19 9.007 -12.792 -15.453 1.00 0.00 O ATOM 279 CB HIS A 19 9.345 -15.232 -13.429 1.00 0.00 C ATOM 280 CG HIS A 19 10.134 -15.673 -14.624 1.00 0.00 C ATOM 281 ND1 HIS A 19 11.461 -16.041 -14.556 1.00 0.00 N ATOM 282 CD2 HIS A 19 9.774 -15.806 -15.922 1.00 0.00 C ATOM 283 CE1 HIS A 19 11.884 -16.379 -15.760 1.00 0.00 C ATOM 284 NE2 HIS A 19 10.880 -16.246 -16.608 1.00 0.00 N ATOM 0 H HIS A 19 8.359 -14.164 -11.434 1.00 0.00 H new ATOM 0 HA HIS A 19 10.312 -13.318 -13.302 1.00 0.00 H new ATOM 0 HB2 HIS A 19 9.777 -15.679 -12.534 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.327 -15.612 -13.515 1.00 0.00 H new ATOM 0 HD2 HIS A 19 8.799 -15.604 -16.340 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.882 -16.708 -16.009 1.00 0.00 H new ATOM 0 HE2 HIS A 19 10.919 -16.439 -17.609 1.00 0.00 H new ATOM 292 N GLU A 20 7.190 -12.886 -14.129 1.00 0.00 N ATOM 293 CA GLU A 20 6.301 -12.296 -15.122 1.00 0.00 C ATOM 294 C GLU A 20 6.647 -10.828 -15.358 1.00 0.00 C ATOM 295 O GLU A 20 6.768 -10.385 -16.501 1.00 0.00 O ATOM 296 CB GLU A 20 4.843 -12.421 -14.673 1.00 0.00 C ATOM 297 CG GLU A 20 3.864 -11.689 -15.575 1.00 0.00 C ATOM 298 CD GLU A 20 2.558 -12.440 -15.748 1.00 0.00 C ATOM 299 OE1 GLU A 20 1.848 -12.639 -14.740 1.00 0.00 O ATOM 300 OE2 GLU A 20 2.245 -12.828 -16.894 1.00 0.00 O ATOM 0 H GLU A 20 6.738 -13.124 -13.246 1.00 0.00 H new ATOM 0 HA GLU A 20 6.433 -12.838 -16.058 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.572 -13.476 -14.637 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.749 -12.033 -13.659 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.659 -10.703 -15.158 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.322 -11.534 -16.552 1.00 0.00 H new ATOM 307 N ILE A 21 6.805 -10.081 -14.271 1.00 0.00 N ATOM 308 CA ILE A 21 7.138 -8.665 -14.359 1.00 0.00 C ATOM 309 C ILE A 21 8.572 -8.466 -14.839 1.00 0.00 C ATOM 310 O ILE A 21 8.867 -7.523 -15.573 1.00 0.00 O ATOM 311 CB ILE A 21 6.960 -7.959 -13.002 1.00 0.00 C ATOM 312 CG1 ILE A 21 7.339 -6.481 -13.118 1.00 0.00 C ATOM 313 CG2 ILE A 21 7.800 -8.645 -11.935 1.00 0.00 C ATOM 314 CD1 ILE A 21 6.529 -5.729 -14.151 1.00 0.00 C ATOM 0 H ILE A 21 6.708 -10.433 -13.319 1.00 0.00 H new ATOM 0 HA ILE A 21 6.451 -8.224 -15.081 1.00 0.00 H new ATOM 0 HB ILE A 21 5.912 -8.024 -12.709 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.208 -6.003 -12.147 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.396 -6.404 -13.371 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.664 -8.135 -10.981 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.487 -9.685 -11.838 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.851 -8.607 -12.220 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.851 -4.688 -14.179 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.679 -6.182 -15.131 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.472 -5.775 -13.888 1.00 0.00 H new ATOM 326 N VAL A 22 9.459 -9.363 -14.422 1.00 0.00 N ATOM 327 CA VAL A 22 10.862 -9.289 -14.811 1.00 0.00 C ATOM 328 C VAL A 22 11.040 -9.610 -16.291 1.00 0.00 C ATOM 329 O VAL A 22 11.764 -8.917 -17.005 1.00 0.00 O ATOM 330 CB VAL A 22 11.728 -10.255 -13.980 1.00 0.00 C ATOM 331 CG1 VAL A 22 13.149 -10.298 -14.520 1.00 0.00 C ATOM 332 CG2 VAL A 22 11.717 -9.850 -12.513 1.00 0.00 C ATOM 0 H VAL A 22 9.231 -10.150 -13.814 1.00 0.00 H new ATOM 0 HA VAL A 22 11.188 -8.266 -14.622 1.00 0.00 H new ATOM 0 HB VAL A 22 11.305 -11.256 -14.060 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.745 -10.985 -13.920 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.135 -10.638 -15.555 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.587 -9.301 -14.472 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.333 -10.542 -11.940 1.00 0.00 H new ATOM 0 HG22 VAL A 22 12.115 -8.840 -12.411 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.695 -9.877 -12.136 1.00 0.00 H new ATOM 342 N SER A 23 10.373 -10.667 -16.745 1.00 0.00 N ATOM 343 CA SER A 23 10.460 -11.083 -18.140 1.00 0.00 C ATOM 344 C SER A 23 9.771 -10.072 -19.052 1.00 0.00 C ATOM 345 O SER A 23 10.293 -9.714 -20.108 1.00 0.00 O ATOM 346 CB SER A 23 9.828 -12.464 -18.322 1.00 0.00 C ATOM 347 OG SER A 23 9.900 -12.884 -19.674 1.00 0.00 O ATOM 0 H SER A 23 9.767 -11.250 -16.168 1.00 0.00 H new ATOM 0 HA SER A 23 11.514 -11.134 -18.414 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.338 -13.187 -17.686 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.787 -12.436 -18.002 1.00 0.00 H new ATOM 0 HG SER A 23 9.491 -13.770 -19.764 1.00 0.00 H new ATOM 353 N LYS A 24 8.594 -9.616 -18.637 1.00 0.00 N ATOM 354 CA LYS A 24 7.832 -8.645 -19.414 1.00 0.00 C ATOM 355 C LYS A 24 8.570 -7.313 -19.494 1.00 0.00 C ATOM 356 O LYS A 24 8.693 -6.724 -20.568 1.00 0.00 O ATOM 357 CB LYS A 24 6.449 -8.437 -18.793 1.00 0.00 C ATOM 358 CG LYS A 24 5.609 -7.397 -19.514 1.00 0.00 C ATOM 359 CD LYS A 24 5.195 -7.875 -20.895 1.00 0.00 C ATOM 360 CE LYS A 24 3.776 -7.443 -21.232 1.00 0.00 C ATOM 361 NZ LYS A 24 2.771 -8.453 -20.801 1.00 0.00 N ATOM 0 H LYS A 24 8.147 -9.903 -17.767 1.00 0.00 H new ATOM 0 HA LYS A 24 7.715 -9.037 -20.424 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.914 -9.387 -18.792 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.569 -8.137 -17.752 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.720 -7.173 -18.924 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.174 -6.469 -19.603 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.884 -7.478 -21.640 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.266 -8.962 -20.942 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.562 -6.489 -20.749 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.691 -7.282 -22.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.817 -8.121 -21.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.959 -9.356 -21.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.834 -8.588 -19.772 1.00 0.00 H new ATOM 375 N ALA A 25 9.061 -6.843 -18.352 1.00 0.00 N ATOM 376 CA ALA A 25 9.790 -5.583 -18.295 1.00 0.00 C ATOM 377 C ALA A 25 11.079 -5.656 -19.106 1.00 0.00 C ATOM 378 O ALA A 25 11.402 -4.739 -19.861 1.00 0.00 O ATOM 379 CB ALA A 25 10.094 -5.214 -16.850 1.00 0.00 C ATOM 0 H ALA A 25 8.967 -7.317 -17.454 1.00 0.00 H new ATOM 0 HA ALA A 25 9.160 -4.808 -18.732 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.639 -4.270 -16.822 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.161 -5.110 -16.297 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.701 -5.997 -16.394 1.00 0.00 H new ATOM 385 N ARG A 26 11.813 -6.753 -18.945 1.00 0.00 N ATOM 386 CA ARG A 26 13.068 -6.945 -19.661 1.00 0.00 C ATOM 387 C ARG A 26 12.820 -7.107 -21.158 1.00 0.00 C ATOM 388 O ARG A 26 13.586 -6.609 -21.983 1.00 0.00 O ATOM 389 CB ARG A 26 13.806 -8.170 -19.120 1.00 0.00 C ATOM 390 CG ARG A 26 15.291 -8.180 -19.447 1.00 0.00 C ATOM 391 CD ARG A 26 16.057 -7.188 -18.586 1.00 0.00 C ATOM 392 NE ARG A 26 16.796 -6.220 -19.391 1.00 0.00 N ATOM 393 CZ ARG A 26 17.977 -6.472 -19.943 1.00 0.00 C ATOM 394 NH1 ARG A 26 18.551 -7.655 -19.778 1.00 0.00 N ATOM 395 NH2 ARG A 26 18.587 -5.539 -20.664 1.00 0.00 N ATOM 0 H ARG A 26 11.560 -7.522 -18.325 1.00 0.00 H new ATOM 0 HA ARG A 26 13.685 -6.060 -19.506 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.681 -8.211 -18.038 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.347 -9.070 -19.528 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.692 -9.182 -19.294 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.435 -7.937 -20.500 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.361 -6.661 -17.934 1.00 0.00 H new ATOM 0 HD3 ARG A 26 16.751 -7.728 -17.941 1.00 0.00 H new ATOM 0 HE ARG A 26 16.382 -5.299 -19.537 1.00 0.00 H new ATOM 0 HH11 ARG A 26 18.085 -8.375 -19.226 1.00 0.00 H new ATOM 0 HH12 ARG A 26 19.458 -7.845 -20.203 1.00 0.00 H new ATOM 0 HH21 ARG A 26 18.148 -4.627 -20.794 1.00 0.00 H new ATOM 0 HH22 ARG A 26 19.494 -5.734 -21.088 1.00 0.00 H new ATOM 409 N LYS A 27 11.744 -7.807 -21.502 1.00 0.00 N ATOM 410 CA LYS A 27 11.394 -8.035 -22.899 1.00 0.00 C ATOM 411 C LYS A 27 11.040 -6.724 -23.592 1.00 0.00 C ATOM 412 O LYS A 27 11.491 -6.458 -24.707 1.00 0.00 O ATOM 413 CB LYS A 27 10.218 -9.010 -22.998 1.00 0.00 C ATOM 414 CG LYS A 27 9.906 -9.444 -24.420 1.00 0.00 C ATOM 415 CD LYS A 27 8.417 -9.361 -24.714 1.00 0.00 C ATOM 416 CE LYS A 27 8.092 -8.180 -25.615 1.00 0.00 C ATOM 417 NZ LYS A 27 6.691 -8.234 -26.117 1.00 0.00 N ATOM 0 H LYS A 27 11.099 -8.226 -20.832 1.00 0.00 H new ATOM 0 HA LYS A 27 12.261 -8.467 -23.399 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.437 -9.893 -22.397 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.332 -8.543 -22.567 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.452 -8.814 -25.122 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.252 -10.466 -24.574 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.087 -10.285 -25.190 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.865 -9.269 -23.779 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.245 -7.251 -25.066 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.780 -8.168 -26.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.509 -7.412 -26.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.551 -9.108 -26.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.033 -8.220 -25.312 1.00 0.00 H new ATOM 431 N TYR A 28 10.233 -5.906 -22.925 1.00 0.00 N ATOM 432 CA TYR A 28 9.819 -4.622 -23.478 1.00 0.00 C ATOM 433 C TYR A 28 10.992 -3.649 -23.535 1.00 0.00 C ATOM 434 O TYR A 28 11.186 -2.950 -24.530 1.00 0.00 O ATOM 435 CB TYR A 28 8.686 -4.024 -22.642 1.00 0.00 C ATOM 436 CG TYR A 28 7.950 -2.901 -23.335 1.00 0.00 C ATOM 437 CD1 TYR A 28 7.466 -3.054 -24.629 1.00 0.00 C ATOM 438 CD2 TYR A 28 7.736 -1.685 -22.696 1.00 0.00 C ATOM 439 CE1 TYR A 28 6.793 -2.029 -25.266 1.00 0.00 C ATOM 440 CE2 TYR A 28 7.063 -0.656 -23.325 1.00 0.00 C ATOM 441 CZ TYR A 28 6.594 -0.833 -24.610 1.00 0.00 C ATOM 442 OH TYR A 28 5.923 0.190 -25.241 1.00 0.00 O ATOM 0 H TYR A 28 9.853 -6.109 -22.001 1.00 0.00 H new ATOM 0 HA TYR A 28 9.462 -4.792 -24.494 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.976 -4.812 -22.391 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.096 -3.653 -21.702 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.619 -3.990 -25.145 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.102 -1.543 -21.690 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.425 -2.164 -26.272 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.905 0.282 -22.814 1.00 0.00 H new ATOM 0 HH TYR A 28 5.867 0.963 -24.641 1.00 0.00 H new ATOM 452 N ARG A 29 11.773 -3.611 -22.460 1.00 0.00 N ATOM 453 CA ARG A 29 12.928 -2.724 -22.385 1.00 0.00 C ATOM 454 C ARG A 29 13.979 -3.113 -23.421 1.00 0.00 C ATOM 455 O ARG A 29 14.516 -2.257 -24.124 1.00 0.00 O ATOM 456 CB ARG A 29 13.538 -2.764 -20.983 1.00 0.00 C ATOM 457 CG ARG A 29 12.887 -1.798 -20.008 1.00 0.00 C ATOM 458 CD ARG A 29 13.377 -0.374 -20.222 1.00 0.00 C ATOM 459 NE ARG A 29 13.677 0.297 -18.960 1.00 0.00 N ATOM 460 CZ ARG A 29 14.163 1.531 -18.881 1.00 0.00 C ATOM 461 NH1 ARG A 29 14.404 2.224 -19.985 1.00 0.00 N ATOM 462 NH2 ARG A 29 14.410 2.074 -17.696 1.00 0.00 N ATOM 0 H ARG A 29 11.627 -4.184 -21.629 1.00 0.00 H new ATOM 0 HA ARG A 29 12.591 -1.709 -22.598 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.454 -3.777 -20.588 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.602 -2.536 -21.052 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.804 -1.833 -20.128 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.105 -2.109 -18.986 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.270 -0.388 -20.846 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.619 0.193 -20.763 1.00 0.00 H new ATOM 0 HE ARG A 29 13.504 -0.209 -18.092 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.216 1.810 -20.898 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.777 3.171 -19.921 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.227 1.544 -16.844 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.783 3.021 -17.637 1.00 0.00 H new ATOM 476 N GLN A 30 14.268 -4.407 -23.507 1.00 0.00 N ATOM 477 CA GLN A 30 15.256 -4.908 -24.455 1.00 0.00 C ATOM 478 C GLN A 30 14.780 -4.713 -25.891 1.00 0.00 C ATOM 479 O GLN A 30 15.552 -4.312 -26.762 1.00 0.00 O ATOM 480 CB GLN A 30 15.538 -6.389 -24.195 1.00 0.00 C ATOM 481 CG GLN A 30 16.500 -7.009 -25.196 1.00 0.00 C ATOM 482 CD GLN A 30 16.901 -8.422 -24.821 1.00 0.00 C ATOM 483 OE1 GLN A 30 16.050 -9.291 -24.632 1.00 0.00 O ATOM 484 NE2 GLN A 30 18.203 -8.659 -24.711 1.00 0.00 N ATOM 0 H GLN A 30 13.832 -5.128 -22.932 1.00 0.00 H new ATOM 0 HA GLN A 30 16.176 -4.341 -24.316 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.948 -6.502 -23.191 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.597 -6.939 -24.219 1.00 0.00 H new ATOM 0 HG2 GLN A 30 16.037 -7.016 -26.183 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.393 -6.389 -25.268 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.874 -7.909 -24.877 1.00 0.00 H new ATOM 0 HE22 GLN A 30 18.532 -9.591 -24.461 1.00 0.00 H new ATOM 493 N ASP A 31 13.505 -4.999 -26.130 1.00 0.00 N ATOM 494 CA ASP A 31 12.925 -4.855 -27.461 1.00 0.00 C ATOM 495 C ASP A 31 12.943 -3.396 -27.906 1.00 0.00 C ATOM 496 O ASP A 31 13.270 -3.089 -29.053 1.00 0.00 O ATOM 497 CB ASP A 31 11.492 -5.388 -27.477 1.00 0.00 C ATOM 498 CG ASP A 31 10.880 -5.362 -28.863 1.00 0.00 C ATOM 499 OD1 ASP A 31 11.623 -5.576 -29.843 1.00 0.00 O ATOM 500 OD2 ASP A 31 9.658 -5.128 -28.969 1.00 0.00 O ATOM 0 H ASP A 31 12.853 -5.332 -25.420 1.00 0.00 H new ATOM 0 HA ASP A 31 13.528 -5.437 -28.158 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.483 -6.410 -27.098 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.878 -4.793 -26.801 1.00 0.00 H new ATOM 505 N LYS A 32 12.590 -2.499 -26.991 1.00 0.00 N ATOM 506 CA LYS A 32 12.565 -1.072 -27.288 1.00 0.00 C ATOM 507 C LYS A 32 13.970 -0.551 -27.576 1.00 0.00 C ATOM 508 O LYS A 32 14.190 0.163 -28.554 1.00 0.00 O ATOM 509 CB LYS A 32 11.952 -0.297 -26.119 1.00 0.00 C ATOM 510 CG LYS A 32 11.375 1.050 -26.518 1.00 0.00 C ATOM 511 CD LYS A 32 11.332 2.009 -25.340 1.00 0.00 C ATOM 512 CE LYS A 32 9.987 1.960 -24.632 1.00 0.00 C ATOM 513 NZ LYS A 32 9.289 3.275 -24.675 1.00 0.00 N ATOM 0 H LYS A 32 12.317 -2.736 -26.037 1.00 0.00 H new ATOM 0 HA LYS A 32 11.952 -0.922 -28.177 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.165 -0.900 -25.667 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.715 -0.144 -25.355 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.976 1.482 -27.318 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.369 0.913 -26.914 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.125 1.758 -24.635 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.525 3.024 -25.688 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.359 1.200 -25.097 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.134 1.660 -23.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.376 3.200 -24.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.876 3.995 -24.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.126 3.549 -25.665 1.00 0.00 H new ATOM 527 N LEU A 33 14.917 -0.915 -26.718 1.00 0.00 N ATOM 528 CA LEU A 33 16.302 -0.486 -26.881 1.00 0.00 C ATOM 529 C LEU A 33 16.905 -1.064 -28.157 1.00 0.00 C ATOM 530 O LEU A 33 17.615 -0.375 -28.889 1.00 0.00 O ATOM 531 CB LEU A 33 17.134 -0.913 -25.670 1.00 0.00 C ATOM 532 CG LEU A 33 16.873 -0.147 -24.373 1.00 0.00 C ATOM 533 CD1 LEU A 33 17.427 -0.912 -23.181 1.00 0.00 C ATOM 534 CD2 LEU A 33 17.481 1.246 -24.444 1.00 0.00 C ATOM 0 H LEU A 33 14.751 -1.506 -25.903 1.00 0.00 H new ATOM 0 HA LEU A 33 16.314 0.601 -26.957 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.954 -1.972 -25.486 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.189 -0.809 -25.924 1.00 0.00 H new ATOM 0 HG LEU A 33 15.795 -0.045 -24.245 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.232 -0.352 -22.267 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.945 -1.887 -23.119 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.502 -1.046 -23.302 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.285 1.776 -23.512 1.00 0.00 H new ATOM 0 HD22 LEU A 33 18.557 1.166 -24.597 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.037 1.795 -25.274 1.00 0.00 H new ATOM 546 N LYS A 34 16.616 -2.335 -28.418 1.00 0.00 N ATOM 547 CA LYS A 34 17.126 -3.007 -29.607 1.00 0.00 C ATOM 548 C LYS A 34 16.565 -2.371 -30.875 1.00 0.00 C ATOM 549 O LYS A 34 17.304 -2.090 -31.818 1.00 0.00 O ATOM 550 CB LYS A 34 16.770 -4.495 -29.569 1.00 0.00 C ATOM 551 CG LYS A 34 17.632 -5.350 -30.482 1.00 0.00 C ATOM 552 CD LYS A 34 17.751 -6.773 -29.964 1.00 0.00 C ATOM 553 CE LYS A 34 18.813 -6.886 -28.881 1.00 0.00 C ATOM 554 NZ LYS A 34 19.263 -8.292 -28.689 1.00 0.00 N ATOM 0 H LYS A 34 16.031 -2.920 -27.821 1.00 0.00 H new ATOM 0 HA LYS A 34 18.211 -2.899 -29.617 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.869 -4.858 -28.546 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.724 -4.617 -29.851 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.203 -5.361 -31.484 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.625 -4.908 -30.566 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.789 -7.098 -29.567 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.998 -7.442 -30.788 1.00 0.00 H new ATOM 0 HE2 LYS A 34 19.668 -6.264 -29.145 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.416 -6.500 -27.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.987 -8.326 -27.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.452 -8.881 -28.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.665 -8.652 -29.578 1.00 0.00 H new ATOM 568 N GLN A 35 15.255 -2.146 -30.888 1.00 0.00 N ATOM 569 CA GLN A 35 14.596 -1.542 -32.040 1.00 0.00 C ATOM 570 C GLN A 35 15.139 -0.142 -32.306 1.00 0.00 C ATOM 571 O GLN A 35 15.424 0.217 -33.448 1.00 0.00 O ATOM 572 CB GLN A 35 13.084 -1.482 -31.816 1.00 0.00 C ATOM 573 CG GLN A 35 12.323 -0.845 -32.967 1.00 0.00 C ATOM 574 CD GLN A 35 10.820 -0.929 -32.790 1.00 0.00 C ATOM 575 OE1 GLN A 35 10.208 -0.063 -32.164 1.00 0.00 O ATOM 576 NE2 GLN A 35 10.215 -1.974 -33.343 1.00 0.00 N ATOM 0 H GLN A 35 14.630 -2.373 -30.115 1.00 0.00 H new ATOM 0 HA GLN A 35 14.802 -2.163 -32.912 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.708 -2.493 -31.658 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.882 -0.921 -30.903 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.617 0.201 -33.057 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.603 -1.336 -33.899 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.761 -2.668 -33.853 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.204 -2.082 -33.258 1.00 0.00 H new ATOM 585 N ALA A 36 15.279 0.644 -31.244 1.00 0.00 N ATOM 586 CA ALA A 36 15.790 2.004 -31.363 1.00 0.00 C ATOM 587 C ALA A 36 17.257 2.005 -31.781 1.00 0.00 C ATOM 588 O ALA A 36 17.655 2.742 -32.684 1.00 0.00 O ATOM 589 CB ALA A 36 15.613 2.751 -30.049 1.00 0.00 C ATOM 0 H ALA A 36 15.046 0.363 -30.292 1.00 0.00 H new ATOM 0 HA ALA A 36 15.218 2.514 -32.138 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.999 3.765 -30.152 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.554 2.790 -29.792 1.00 0.00 H new ATOM 0 HB3 ALA A 36 16.159 2.234 -29.260 1.00 0.00 H new ATOM 595 N LYS A 37 18.056 1.176 -31.120 1.00 0.00 N ATOM 596 CA LYS A 37 19.479 1.080 -31.422 1.00 0.00 C ATOM 597 C LYS A 37 19.701 0.746 -32.894 1.00 0.00 C ATOM 598 O LYS A 37 20.510 1.382 -33.571 1.00 0.00 O ATOM 599 CB LYS A 37 20.139 0.016 -30.542 1.00 0.00 C ATOM 600 CG LYS A 37 20.716 0.567 -29.250 1.00 0.00 C ATOM 601 CD LYS A 37 22.231 0.666 -29.314 1.00 0.00 C ATOM 602 CE LYS A 37 22.683 2.073 -29.673 1.00 0.00 C ATOM 603 NZ LYS A 37 22.849 2.928 -28.465 1.00 0.00 N ATOM 0 H LYS A 37 17.742 0.560 -30.370 1.00 0.00 H new ATOM 0 HA LYS A 37 19.935 2.048 -31.214 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.404 -0.753 -30.303 1.00 0.00 H new ATOM 0 HB3 LYS A 37 20.935 -0.469 -31.108 1.00 0.00 H new ATOM 0 HG2 LYS A 37 20.294 1.553 -29.053 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.427 -0.075 -28.418 1.00 0.00 H new ATOM 0 HD2 LYS A 37 22.656 0.381 -28.352 1.00 0.00 H new ATOM 0 HD3 LYS A 37 22.612 -0.039 -30.053 1.00 0.00 H new ATOM 0 HE2 LYS A 37 23.627 2.024 -30.215 1.00 0.00 H new ATOM 0 HE3 LYS A 37 21.954 2.529 -30.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 23.158 3.879 -28.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 21.942 2.996 -27.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 23.563 2.507 -27.837 1.00 0.00 H new ATOM 617 N THR A 38 18.977 -0.255 -33.385 1.00 0.00 N ATOM 618 CA THR A 38 19.095 -0.672 -34.776 1.00 0.00 C ATOM 619 C THR A 38 18.748 0.470 -35.724 1.00 0.00 C ATOM 620 O THR A 38 19.444 0.702 -36.713 1.00 0.00 O ATOM 621 CB THR A 38 18.181 -1.874 -35.081 1.00 0.00 C ATOM 622 OG1 THR A 38 16.889 -1.667 -34.499 1.00 0.00 O ATOM 623 CG2 THR A 38 18.784 -3.163 -34.545 1.00 0.00 C ATOM 0 H THR A 38 18.303 -0.792 -32.839 1.00 0.00 H new ATOM 0 HA THR A 38 20.133 -0.966 -34.931 1.00 0.00 H new ATOM 0 HB THR A 38 18.082 -1.961 -36.163 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.907 -1.938 -33.557 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.120 -3.997 -34.773 1.00 0.00 H new ATOM 0 HG22 THR A 38 19.754 -3.333 -35.012 1.00 0.00 H new ATOM 0 HG23 THR A 38 18.910 -3.084 -33.465 1.00 0.00 H new ATOM 631 N ASP A 39 17.668 1.180 -35.417 1.00 0.00 N ATOM 632 CA ASP A 39 17.230 2.300 -36.241 1.00 0.00 C ATOM 633 C ASP A 39 18.312 3.372 -36.322 1.00 0.00 C ATOM 634 O ASP A 39 18.597 3.901 -37.396 1.00 0.00 O ATOM 635 CB ASP A 39 15.940 2.901 -35.679 1.00 0.00 C ATOM 636 CG ASP A 39 14.768 1.944 -35.772 1.00 0.00 C ATOM 637 OD1 ASP A 39 14.893 0.917 -36.472 1.00 0.00 O ATOM 638 OD2 ASP A 39 13.725 2.222 -35.143 1.00 0.00 O ATOM 0 H ASP A 39 17.080 1.000 -34.603 1.00 0.00 H new ATOM 0 HA ASP A 39 17.039 1.926 -37.247 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.096 3.180 -34.637 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.702 3.816 -36.221 1.00 0.00 H new ATOM 643 N ALA A 40 18.910 3.689 -35.178 1.00 0.00 N ATOM 644 CA ALA A 40 19.961 4.697 -35.119 1.00 0.00 C ATOM 645 C ALA A 40 21.171 4.278 -35.948 1.00 0.00 C ATOM 646 O ALA A 40 21.711 5.070 -36.719 1.00 0.00 O ATOM 647 CB ALA A 40 20.370 4.950 -33.675 1.00 0.00 C ATOM 0 H ALA A 40 18.684 3.262 -34.280 1.00 0.00 H new ATOM 0 HA ALA A 40 19.567 5.622 -35.541 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.156 5.705 -33.646 1.00 0.00 H new ATOM 0 HB2 ALA A 40 19.508 5.302 -33.109 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.740 4.024 -33.234 1.00 0.00 H new ATOM 653 N ALA A 41 21.592 3.028 -35.782 1.00 0.00 N ATOM 654 CA ALA A 41 22.737 2.504 -36.516 1.00 0.00 C ATOM 655 C ALA A 41 22.503 2.576 -38.022 1.00 0.00 C ATOM 656 O ALA A 41 23.389 2.970 -38.780 1.00 0.00 O ATOM 657 CB ALA A 41 23.025 1.072 -36.092 1.00 0.00 C ATOM 0 H ALA A 41 21.157 2.360 -35.146 1.00 0.00 H new ATOM 0 HA ALA A 41 23.603 3.122 -36.279 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.883 0.693 -36.648 1.00 0.00 H new ATOM 0 HB2 ALA A 41 23.244 1.046 -35.025 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.155 0.449 -36.299 1.00 0.00 H new ATOM 663 N LYS A 42 21.305 2.191 -38.449 1.00 0.00 N ATOM 664 CA LYS A 42 20.954 2.211 -39.864 1.00 0.00 C ATOM 665 C LYS A 42 20.876 3.643 -40.384 1.00 0.00 C ATOM 666 O LYS A 42 21.243 3.918 -41.526 1.00 0.00 O ATOM 667 CB LYS A 42 19.617 1.502 -40.089 1.00 0.00 C ATOM 668 CG LYS A 42 19.736 -0.010 -40.171 1.00 0.00 C ATOM 669 CD LYS A 42 18.682 -0.603 -41.090 1.00 0.00 C ATOM 670 CE LYS A 42 17.443 -1.028 -40.316 1.00 0.00 C ATOM 671 NZ LYS A 42 16.211 -0.373 -40.837 1.00 0.00 N ATOM 0 H LYS A 42 20.560 1.861 -37.835 1.00 0.00 H new ATOM 0 HA LYS A 42 21.734 1.685 -40.414 1.00 0.00 H new ATOM 0 HB2 LYS A 42 18.937 1.761 -39.277 1.00 0.00 H new ATOM 0 HB3 LYS A 42 19.169 1.873 -41.011 1.00 0.00 H new ATOM 0 HG2 LYS A 42 20.728 -0.279 -40.533 1.00 0.00 H new ATOM 0 HG3 LYS A 42 19.634 -0.439 -39.174 1.00 0.00 H new ATOM 0 HD2 LYS A 42 18.405 0.129 -41.848 1.00 0.00 H new ATOM 0 HD3 LYS A 42 19.098 -1.463 -41.615 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.331 -2.111 -40.375 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.569 -0.778 -39.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.389 -0.689 -40.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.306 0.660 -40.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.076 -0.632 -41.835 1.00 0.00 H new ATOM 685 N GLU A 43 20.397 4.550 -39.539 1.00 0.00 N ATOM 686 CA GLU A 43 20.273 5.954 -39.915 1.00 0.00 C ATOM 687 C GLU A 43 21.645 6.573 -40.165 1.00 0.00 C ATOM 688 O GLU A 43 21.849 7.273 -41.157 1.00 0.00 O ATOM 689 CB GLU A 43 19.540 6.734 -38.822 1.00 0.00 C ATOM 690 CG GLU A 43 18.064 6.951 -39.114 1.00 0.00 C ATOM 691 CD GLU A 43 17.655 8.407 -39.003 1.00 0.00 C ATOM 692 OE1 GLU A 43 18.222 9.118 -38.147 1.00 0.00 O ATOM 693 OE2 GLU A 43 16.769 8.835 -39.771 1.00 0.00 O ATOM 0 H GLU A 43 20.089 4.338 -38.590 1.00 0.00 H new ATOM 0 HA GLU A 43 19.696 6.008 -40.838 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.640 6.200 -37.877 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.022 7.703 -38.693 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.839 6.590 -40.118 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.469 6.357 -38.421 1.00 0.00 H new ATOM 700 N ILE A 44 22.580 6.312 -39.258 1.00 0.00 N ATOM 701 CA ILE A 44 23.932 6.843 -39.380 1.00 0.00 C ATOM 702 C ILE A 44 24.665 6.214 -40.560 1.00 0.00 C ATOM 703 O ILE A 44 25.318 6.907 -41.339 1.00 0.00 O ATOM 704 CB ILE A 44 24.748 6.605 -38.096 1.00 0.00 C ATOM 705 CG1 ILE A 44 24.036 7.222 -36.891 1.00 0.00 C ATOM 706 CG2 ILE A 44 26.148 7.182 -38.244 1.00 0.00 C ATOM 707 CD1 ILE A 44 24.575 6.744 -35.561 1.00 0.00 C ATOM 0 H ILE A 44 22.426 5.736 -38.430 1.00 0.00 H new ATOM 0 HA ILE A 44 23.836 7.916 -39.546 1.00 0.00 H new ATOM 0 HB ILE A 44 24.834 5.531 -37.932 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.127 8.307 -36.942 1.00 0.00 H new ATOM 0 HG13 ILE A 44 22.973 6.988 -36.948 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.713 7.006 -37.328 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.654 6.700 -39.081 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.082 8.254 -38.429 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.024 7.223 -34.752 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.459 5.663 -35.489 1.00 0.00 H new ATOM 0 HD13 ILE A 44 25.631 7.002 -35.482 1.00 0.00 H new ATOM 719 N ASP A 45 24.551 4.896 -40.686 1.00 0.00 N ATOM 720 CA ASP A 45 25.200 4.173 -41.772 1.00 0.00 C ATOM 721 C ASP A 45 24.624 4.588 -43.123 1.00 0.00 C ATOM 722 O ASP A 45 25.365 4.858 -44.068 1.00 0.00 O ATOM 723 CB ASP A 45 25.039 2.664 -41.578 1.00 0.00 C ATOM 724 CG ASP A 45 25.590 1.868 -42.744 1.00 0.00 C ATOM 725 OD1 ASP A 45 26.826 1.701 -42.818 1.00 0.00 O ATOM 726 OD2 ASP A 45 24.786 1.410 -43.582 1.00 0.00 O ATOM 0 H ASP A 45 24.015 4.307 -40.049 1.00 0.00 H new ATOM 0 HA ASP A 45 26.261 4.422 -41.757 1.00 0.00 H new ATOM 0 HB2 ASP A 45 25.548 2.362 -40.663 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.983 2.428 -41.448 1.00 0.00 H new ATOM 731 N SER A 46 23.299 4.637 -43.205 1.00 0.00 N ATOM 732 CA SER A 46 22.623 5.015 -44.441 1.00 0.00 C ATOM 733 C SER A 46 22.933 6.462 -44.809 1.00 0.00 C ATOM 734 O SER A 46 23.124 6.789 -45.981 1.00 0.00 O ATOM 735 CB SER A 46 21.111 4.825 -44.299 1.00 0.00 C ATOM 736 OG SER A 46 20.461 4.959 -45.551 1.00 0.00 O ATOM 0 H SER A 46 22.672 4.420 -42.431 1.00 0.00 H new ATOM 0 HA SER A 46 22.990 4.369 -45.239 1.00 0.00 H new ATOM 0 HB2 SER A 46 20.903 3.840 -43.881 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.713 5.559 -43.599 1.00 0.00 H new ATOM 0 HG SER A 46 19.496 4.832 -45.434 1.00 0.00 H new ATOM 742 N TYR A 47 22.982 7.325 -43.800 1.00 0.00 N ATOM 743 CA TYR A 47 23.266 8.739 -44.017 1.00 0.00 C ATOM 744 C TYR A 47 24.713 8.942 -44.457 1.00 0.00 C ATOM 745 O TYR A 47 25.009 9.814 -45.274 1.00 0.00 O ATOM 746 CB TYR A 47 22.994 9.536 -42.740 1.00 0.00 C ATOM 747 CG TYR A 47 23.094 11.033 -42.929 1.00 0.00 C ATOM 748 CD1 TYR A 47 22.152 11.723 -43.683 1.00 0.00 C ATOM 749 CD2 TYR A 47 24.131 11.758 -42.354 1.00 0.00 C ATOM 750 CE1 TYR A 47 22.240 13.090 -43.859 1.00 0.00 C ATOM 751 CE2 TYR A 47 24.226 13.126 -42.523 1.00 0.00 C ATOM 752 CZ TYR A 47 23.279 13.787 -43.277 1.00 0.00 C ATOM 753 OH TYR A 47 23.371 15.149 -43.449 1.00 0.00 O ATOM 0 H TYR A 47 22.829 7.070 -42.824 1.00 0.00 H new ATOM 0 HA TYR A 47 22.610 9.099 -44.810 1.00 0.00 H new ATOM 0 HB2 TYR A 47 21.997 9.290 -42.373 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.702 9.227 -41.971 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.337 11.181 -44.139 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.875 11.243 -41.765 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.500 13.610 -44.449 1.00 0.00 H new ATOM 0 HE2 TYR A 47 25.037 13.675 -42.067 1.00 0.00 H new ATOM 0 HH TYR A 47 24.159 15.486 -42.973 1.00 0.00 H new ATOM 763 N LYS A 48 25.611 8.129 -43.910 1.00 0.00 N ATOM 764 CA LYS A 48 27.027 8.216 -44.246 1.00 0.00 C ATOM 765 C LYS A 48 27.276 7.753 -45.678 1.00 0.00 C ATOM 766 O LYS A 48 28.008 8.397 -46.430 1.00 0.00 O ATOM 767 CB LYS A 48 27.855 7.373 -43.275 1.00 0.00 C ATOM 768 CG LYS A 48 29.332 7.313 -43.627 1.00 0.00 C ATOM 769 CD LYS A 48 29.732 5.934 -44.121 1.00 0.00 C ATOM 770 CE LYS A 48 31.243 5.794 -44.221 1.00 0.00 C ATOM 771 NZ LYS A 48 31.638 4.596 -45.014 1.00 0.00 N ATOM 0 H LYS A 48 25.383 7.402 -43.232 1.00 0.00 H new ATOM 0 HA LYS A 48 27.331 9.259 -44.162 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.746 7.780 -42.270 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.454 6.360 -43.254 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.554 8.054 -44.395 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.926 7.573 -42.751 1.00 0.00 H new ATOM 0 HD2 LYS A 48 29.339 5.176 -43.443 1.00 0.00 H new ATOM 0 HD3 LYS A 48 29.283 5.752 -45.098 1.00 0.00 H new ATOM 0 HE2 LYS A 48 31.661 6.689 -44.682 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.668 5.723 -43.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 32.675 4.536 -45.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 31.261 3.740 -44.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 31.254 4.675 -45.977 1.00 0.00 H new ATOM 785 N ILE A 49 26.662 6.634 -46.048 1.00 0.00 N ATOM 786 CA ILE A 49 26.815 6.087 -47.390 1.00 0.00 C ATOM 787 C ILE A 49 26.097 6.950 -48.421 1.00 0.00 C ATOM 788 O ILE A 49 26.540 7.066 -49.564 1.00 0.00 O ATOM 789 CB ILE A 49 26.275 4.647 -47.477 1.00 0.00 C ATOM 790 CG1 ILE A 49 24.770 4.627 -47.201 1.00 0.00 C ATOM 791 CG2 ILE A 49 27.011 3.745 -46.497 1.00 0.00 C ATOM 792 CD1 ILE A 49 24.166 3.241 -47.246 1.00 0.00 C ATOM 0 H ILE A 49 26.054 6.089 -45.437 1.00 0.00 H new ATOM 0 HA ILE A 49 27.883 6.079 -47.607 1.00 0.00 H new ATOM 0 HB ILE A 49 26.446 4.270 -48.485 1.00 0.00 H new ATOM 0 HG12 ILE A 49 24.583 5.064 -46.220 1.00 0.00 H new ATOM 0 HG13 ILE A 49 24.266 5.258 -47.933 1.00 0.00 H new ATOM 0 HG21 ILE A 49 26.618 2.731 -46.570 1.00 0.00 H new ATOM 0 HG22 ILE A 49 28.075 3.740 -46.735 1.00 0.00 H new ATOM 0 HG23 ILE A 49 26.868 4.117 -45.482 1.00 0.00 H new ATOM 0 HD11 ILE A 49 23.097 3.303 -47.041 1.00 0.00 H new ATOM 0 HD12 ILE A 49 24.322 2.808 -48.234 1.00 0.00 H new ATOM 0 HD13 ILE A 49 24.643 2.612 -46.495 1.00 0.00 H new ATOM 804 N GLN A 50 24.988 7.556 -48.009 1.00 0.00 N ATOM 805 CA GLN A 50 24.209 8.410 -48.897 1.00 0.00 C ATOM 806 C GLN A 50 24.946 9.715 -49.181 1.00 0.00 C ATOM 807 O GLN A 50 25.020 10.163 -50.325 1.00 0.00 O ATOM 808 CB GLN A 50 22.840 8.707 -48.283 1.00 0.00 C ATOM 809 CG GLN A 50 21.948 9.562 -49.169 1.00 0.00 C ATOM 810 CD GLN A 50 20.476 9.249 -48.990 1.00 0.00 C ATOM 811 OE1 GLN A 50 19.897 8.475 -49.753 1.00 0.00 O ATOM 812 NE2 GLN A 50 19.861 9.851 -47.979 1.00 0.00 N ATOM 0 H GLN A 50 24.609 7.471 -47.066 1.00 0.00 H new ATOM 0 HA GLN A 50 24.069 7.880 -49.839 1.00 0.00 H new ATOM 0 HB2 GLN A 50 22.333 7.765 -48.073 1.00 0.00 H new ATOM 0 HB3 GLN A 50 22.981 9.213 -47.328 1.00 0.00 H new ATOM 0 HG2 GLN A 50 22.122 10.615 -48.945 1.00 0.00 H new ATOM 0 HG3 GLN A 50 22.224 9.408 -50.212 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.380 10.485 -47.371 1.00 0.00 H new ATOM 0 HE22 GLN A 50 18.870 9.679 -47.810 1.00 0.00 H new ATOM 821 N LYS A 51 25.489 10.322 -48.131 1.00 0.00 N ATOM 822 CA LYS A 51 26.221 11.576 -48.266 1.00 0.00 C ATOM 823 C LYS A 51 27.541 11.360 -49.000 1.00 0.00 C ATOM 824 O LYS A 51 27.927 12.161 -49.851 1.00 0.00 O ATOM 825 CB LYS A 51 26.486 12.186 -46.888 1.00 0.00 C ATOM 826 CG LYS A 51 27.254 13.496 -46.940 1.00 0.00 C ATOM 827 CD LYS A 51 28.732 13.288 -46.654 1.00 0.00 C ATOM 828 CE LYS A 51 29.015 13.280 -45.160 1.00 0.00 C ATOM 829 NZ LYS A 51 29.559 14.584 -44.692 1.00 0.00 N ATOM 0 H LYS A 51 25.436 9.966 -47.177 1.00 0.00 H new ATOM 0 HA LYS A 51 25.609 12.264 -48.850 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.534 12.353 -46.384 1.00 0.00 H new ATOM 0 HB3 LYS A 51 27.045 11.471 -46.285 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.133 13.951 -47.923 1.00 0.00 H new ATOM 0 HG3 LYS A 51 26.836 14.193 -46.213 1.00 0.00 H new ATOM 0 HD2 LYS A 51 29.059 12.345 -47.092 1.00 0.00 H new ATOM 0 HD3 LYS A 51 29.311 14.079 -47.131 1.00 0.00 H new ATOM 0 HE2 LYS A 51 28.097 13.054 -44.618 1.00 0.00 H new ATOM 0 HE3 LYS A 51 29.725 12.486 -44.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 29.739 14.538 -43.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 30.448 14.788 -45.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.871 15.338 -44.889 1.00 0.00 H new ATOM 843 N ASP A 52 28.226 10.272 -48.666 1.00 0.00 N ATOM 844 CA ASP A 52 29.502 9.949 -49.296 1.00 0.00 C ATOM 845 C ASP A 52 29.310 9.616 -50.772 1.00 0.00 C ATOM 846 O ASP A 52 30.077 10.064 -51.626 1.00 0.00 O ATOM 847 CB ASP A 52 30.166 8.773 -48.578 1.00 0.00 C ATOM 848 CG ASP A 52 31.618 8.598 -48.975 1.00 0.00 C ATOM 849 OD1 ASP A 52 32.049 9.249 -49.950 1.00 0.00 O ATOM 850 OD2 ASP A 52 32.324 7.808 -48.313 1.00 0.00 O ATOM 0 H ASP A 52 27.920 9.599 -47.963 1.00 0.00 H new ATOM 0 HA ASP A 52 30.148 10.823 -49.220 1.00 0.00 H new ATOM 0 HB2 ASP A 52 30.103 8.926 -47.501 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.618 7.858 -48.802 1.00 0.00 H new ATOM 855 N LYS A 53 28.282 8.827 -51.067 1.00 0.00 N ATOM 856 CA LYS A 53 27.988 8.434 -52.440 1.00 0.00 C ATOM 857 C LYS A 53 27.519 9.631 -53.261 1.00 0.00 C ATOM 858 O LYS A 53 27.885 9.777 -54.426 1.00 0.00 O ATOM 859 CB LYS A 53 26.921 7.337 -52.461 1.00 0.00 C ATOM 860 CG LYS A 53 27.452 5.964 -52.086 1.00 0.00 C ATOM 861 CD LYS A 53 26.323 4.975 -51.849 1.00 0.00 C ATOM 862 CE LYS A 53 26.618 3.629 -52.492 1.00 0.00 C ATOM 863 NZ LYS A 53 25.413 2.754 -52.525 1.00 0.00 N ATOM 0 H LYS A 53 27.638 8.447 -50.373 1.00 0.00 H new ATOM 0 HA LYS A 53 28.905 8.049 -52.885 1.00 0.00 H new ATOM 0 HB2 LYS A 53 26.120 7.608 -51.773 1.00 0.00 H new ATOM 0 HB3 LYS A 53 26.482 7.288 -53.458 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.100 5.594 -52.881 1.00 0.00 H new ATOM 0 HG3 LYS A 53 28.063 6.042 -51.187 1.00 0.00 H new ATOM 0 HD2 LYS A 53 26.173 4.843 -50.778 1.00 0.00 H new ATOM 0 HD3 LYS A 53 25.394 5.377 -52.254 1.00 0.00 H new ATOM 0 HE2 LYS A 53 26.982 3.784 -53.508 1.00 0.00 H new ATOM 0 HE3 LYS A 53 27.414 3.130 -51.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 25.655 1.846 -52.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 25.080 2.585 -51.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 24.661 3.219 -53.073 1.00 0.00 H new ATOM 877 N GLU A 54 26.708 10.484 -52.643 1.00 0.00 N ATOM 878 CA GLU A 54 26.189 11.668 -53.318 1.00 0.00 C ATOM 879 C GLU A 54 27.314 12.651 -53.631 1.00 0.00 C ATOM 880 O GLU A 54 27.367 13.225 -54.720 1.00 0.00 O ATOM 881 CB GLU A 54 25.127 12.351 -52.454 1.00 0.00 C ATOM 882 CG GLU A 54 23.722 11.819 -52.683 1.00 0.00 C ATOM 883 CD GLU A 54 22.672 12.594 -51.912 1.00 0.00 C ATOM 884 OE1 GLU A 54 22.934 13.764 -51.563 1.00 0.00 O ATOM 885 OE2 GLU A 54 21.586 12.031 -51.659 1.00 0.00 O ATOM 0 H GLU A 54 26.397 10.378 -51.678 1.00 0.00 H new ATOM 0 HA GLU A 54 25.734 11.350 -54.256 1.00 0.00 H new ATOM 0 HB2 GLU A 54 25.388 12.223 -51.403 1.00 0.00 H new ATOM 0 HB3 GLU A 54 25.139 13.422 -52.657 1.00 0.00 H new ATOM 0 HG2 GLU A 54 23.491 11.861 -53.747 1.00 0.00 H new ATOM 0 HG3 GLU A 54 23.682 10.770 -52.389 1.00 0.00 H new ATOM 892 N LEU A 55 28.210 12.842 -52.670 1.00 0.00 N ATOM 893 CA LEU A 55 29.334 13.756 -52.842 1.00 0.00 C ATOM 894 C LEU A 55 30.374 13.168 -53.791 1.00 0.00 C ATOM 895 O LEU A 55 30.958 13.881 -54.608 1.00 0.00 O ATOM 896 CB LEU A 55 29.979 14.063 -51.489 1.00 0.00 C ATOM 897 CG LEU A 55 29.549 15.371 -50.822 1.00 0.00 C ATOM 898 CD1 LEU A 55 30.052 16.566 -51.617 1.00 0.00 C ATOM 899 CD2 LEU A 55 28.035 15.423 -50.678 1.00 0.00 C ATOM 0 H LEU A 55 28.181 12.376 -51.763 1.00 0.00 H new ATOM 0 HA LEU A 55 28.954 14.681 -53.276 1.00 0.00 H new ATOM 0 HB2 LEU A 55 29.757 13.241 -50.808 1.00 0.00 H new ATOM 0 HB3 LEU A 55 31.061 14.084 -51.621 1.00 0.00 H new ATOM 0 HG LEU A 55 29.991 15.411 -49.826 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.737 17.487 -51.128 1.00 0.00 H new ATOM 0 HD12 LEU A 55 31.140 16.537 -51.669 1.00 0.00 H new ATOM 0 HD13 LEU A 55 29.640 16.532 -52.626 1.00 0.00 H new ATOM 0 HD21 LEU A 55 27.747 16.360 -50.202 1.00 0.00 H new ATOM 0 HD22 LEU A 55 27.573 15.360 -51.663 1.00 0.00 H new ATOM 0 HD23 LEU A 55 27.699 14.586 -50.066 1.00 0.00 H new ATOM 911 N LYS A 56 30.598 11.864 -53.680 1.00 0.00 N ATOM 912 CA LYS A 56 31.564 11.178 -54.530 1.00 0.00 C ATOM 913 C LYS A 56 31.180 11.303 -56.001 1.00 0.00 C ATOM 914 O LYS A 56 32.032 11.545 -56.855 1.00 0.00 O ATOM 915 CB LYS A 56 31.659 9.701 -54.141 1.00 0.00 C ATOM 916 CG LYS A 56 32.736 9.411 -53.110 1.00 0.00 C ATOM 917 CD LYS A 56 34.092 9.207 -53.763 1.00 0.00 C ATOM 918 CE LYS A 56 35.223 9.358 -52.757 1.00 0.00 C ATOM 919 NZ LYS A 56 35.116 8.368 -51.649 1.00 0.00 N ATOM 0 H LYS A 56 30.123 11.260 -53.009 1.00 0.00 H new ATOM 0 HA LYS A 56 32.536 11.649 -54.385 1.00 0.00 H new ATOM 0 HB2 LYS A 56 30.696 9.375 -53.749 1.00 0.00 H new ATOM 0 HB3 LYS A 56 31.856 9.110 -55.036 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.793 10.236 -52.400 1.00 0.00 H new ATOM 0 HG3 LYS A 56 32.467 8.520 -52.542 1.00 0.00 H new ATOM 0 HD2 LYS A 56 34.135 8.216 -54.214 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.221 9.929 -54.569 1.00 0.00 H new ATOM 0 HE2 LYS A 56 36.180 9.233 -53.265 1.00 0.00 H new ATOM 0 HE3 LYS A 56 35.210 10.367 -52.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 35.972 8.412 -51.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.283 8.588 -51.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 35.017 7.412 -52.046 1.00 0.00 H new ATOM 933 N GLU A 57 29.892 11.139 -56.288 1.00 0.00 N ATOM 934 CA GLU A 57 29.397 11.235 -57.656 1.00 0.00 C ATOM 935 C GLU A 57 30.121 10.248 -58.567 1.00 0.00 C ATOM 936 O GLU A 57 30.755 10.641 -59.547 1.00 0.00 O ATOM 937 CB GLU A 57 29.572 12.659 -58.186 1.00 0.00 C ATOM 938 CG GLU A 57 28.619 13.010 -59.316 1.00 0.00 C ATOM 939 CD GLU A 57 29.334 13.243 -60.632 1.00 0.00 C ATOM 940 OE1 GLU A 57 29.846 14.364 -60.838 1.00 0.00 O ATOM 941 OE2 GLU A 57 29.383 12.307 -61.457 1.00 0.00 O ATOM 0 H GLU A 57 29.174 10.939 -55.592 1.00 0.00 H new ATOM 0 HA GLU A 57 28.336 10.985 -57.650 1.00 0.00 H new ATOM 0 HB2 GLU A 57 29.426 13.363 -57.367 1.00 0.00 H new ATOM 0 HB3 GLU A 57 30.597 12.784 -58.535 1.00 0.00 H new ATOM 0 HG2 GLU A 57 27.894 12.205 -59.438 1.00 0.00 H new ATOM 0 HG3 GLU A 57 28.058 13.905 -59.048 1.00 0.00 H new ATOM 948 N PHE A 58 30.023 8.965 -58.236 1.00 0.00 N ATOM 949 CA PHE A 58 30.670 7.921 -59.023 1.00 0.00 C ATOM 950 C PHE A 58 29.714 6.759 -59.275 1.00 0.00 C ATOM 951 O PHE A 58 30.133 5.605 -59.358 1.00 0.00 O ATOM 952 CB PHE A 58 31.925 7.418 -58.308 1.00 0.00 C ATOM 953 CG PHE A 58 32.957 6.847 -59.238 1.00 0.00 C ATOM 954 CD1 PHE A 58 33.686 7.674 -60.078 1.00 0.00 C ATOM 955 CD2 PHE A 58 33.198 5.483 -59.274 1.00 0.00 C ATOM 956 CE1 PHE A 58 34.636 7.152 -60.935 1.00 0.00 C ATOM 957 CE2 PHE A 58 34.147 4.955 -60.129 1.00 0.00 C ATOM 958 CZ PHE A 58 34.866 5.790 -60.961 1.00 0.00 C ATOM 0 H PHE A 58 29.502 8.623 -57.429 1.00 0.00 H new ATOM 0 HA PHE A 58 30.955 8.349 -59.984 1.00 0.00 H new ATOM 0 HB2 PHE A 58 32.368 8.241 -57.747 1.00 0.00 H new ATOM 0 HB3 PHE A 58 31.639 6.656 -57.583 1.00 0.00 H new ATOM 0 HD1 PHE A 58 33.509 8.739 -60.063 1.00 0.00 H new ATOM 0 HD2 PHE A 58 32.638 4.825 -58.626 1.00 0.00 H new ATOM 0 HE1 PHE A 58 35.198 7.808 -61.584 1.00 0.00 H new ATOM 0 HE2 PHE A 58 34.326 3.890 -60.146 1.00 0.00 H new ATOM 0 HZ PHE A 58 35.607 5.379 -61.631 1.00 0.00 H new ATOM 968 N GLU A 59 28.428 7.074 -59.396 1.00 0.00 N ATOM 969 CA GLU A 59 27.412 6.055 -59.637 1.00 0.00 C ATOM 970 C GLU A 59 26.890 6.136 -61.068 1.00 0.00 C ATOM 971 O GLU A 59 26.500 5.126 -61.655 1.00 0.00 O ATOM 972 CB GLU A 59 26.254 6.215 -58.650 1.00 0.00 C ATOM 973 CG GLU A 59 25.062 5.326 -58.961 1.00 0.00 C ATOM 974 CD GLU A 59 24.176 5.095 -57.753 1.00 0.00 C ATOM 975 OE1 GLU A 59 24.456 5.687 -56.690 1.00 0.00 O ATOM 976 OE2 GLU A 59 23.202 4.321 -57.870 1.00 0.00 O ATOM 0 H GLU A 59 28.065 8.025 -59.331 1.00 0.00 H new ATOM 0 HA GLU A 59 27.872 5.078 -59.491 1.00 0.00 H new ATOM 0 HB2 GLU A 59 26.611 5.991 -57.645 1.00 0.00 H new ATOM 0 HB3 GLU A 59 25.930 7.256 -58.649 1.00 0.00 H new ATOM 0 HG2 GLU A 59 24.473 5.780 -59.758 1.00 0.00 H new ATOM 0 HG3 GLU A 59 25.417 4.366 -59.335 1.00 0.00 H new ATOM 983 N CYS A 60 26.886 7.343 -61.623 1.00 0.00 N ATOM 984 CA CYS A 60 26.410 7.557 -62.985 1.00 0.00 C ATOM 985 C CYS A 60 27.320 6.863 -63.994 1.00 0.00 C ATOM 986 O CYS A 60 26.932 5.878 -64.620 1.00 0.00 O ATOM 987 CB CYS A 60 26.334 9.053 -63.292 1.00 0.00 C ATOM 988 SG CYS A 60 24.650 9.690 -63.447 1.00 0.00 S ATOM 0 H CYS A 60 27.207 8.188 -61.151 1.00 0.00 H new ATOM 0 HA CYS A 60 25.412 7.126 -63.067 1.00 0.00 H new ATOM 0 HB2 CYS A 60 26.847 9.602 -62.502 1.00 0.00 H new ATOM 0 HB3 CYS A 60 26.872 9.251 -64.219 1.00 0.00 H new ATOM 0 HG CYS A 60 24.690 10.964 -63.704 1.00 0.00 H new TER 994 CYS A 60