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 Single : A 1 MET CE :methyl -146:sc= -0.335 (180deg=-1.24) USER MOD Single : A 1 MET N :NH3+ -115:sc= -1.16 (180deg=-1.4) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,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 36:sc= 1 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 88:sc= 0.656 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= -0.18 K(o=-0.18,f=-1.6!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.241 -25.008 -3.324 1.00 0.00 N ATOM 2 CA MET A 1 21.813 -26.387 -3.533 1.00 0.00 C ATOM 3 C MET A 1 20.535 -26.682 -2.754 1.00 0.00 C ATOM 4 O MET A 1 20.299 -27.816 -2.336 1.00 0.00 O ATOM 5 CB MET A 1 22.918 -27.356 -3.110 1.00 0.00 C ATOM 6 CG MET A 1 24.260 -27.070 -3.763 1.00 0.00 C ATOM 7 SD MET A 1 24.790 -28.391 -4.870 1.00 0.00 S ATOM 8 CE MET A 1 24.769 -29.794 -3.758 1.00 0.00 C ATOM 0 H1 MET A 1 22.183 -24.487 -4.222 1.00 0.00 H new ATOM 0 H2 MET A 1 21.623 -24.556 -2.620 1.00 0.00 H new ATOM 0 H3 MET A 1 23.223 -24.997 -2.981 1.00 0.00 H new ATOM 0 HA MET A 1 21.610 -26.522 -4.595 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.033 -27.312 -2.027 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.612 -28.373 -3.357 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.196 -26.137 -4.322 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.013 -26.926 -2.988 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.569 -30.483 -4.027 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.915 -29.449 -2.734 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.809 -30.305 -3.835 1.00 0.00 H new ATOM 18 N VAL A 2 19.713 -25.655 -2.561 1.00 0.00 N ATOM 19 CA VAL A 2 18.459 -25.806 -1.833 1.00 0.00 C ATOM 20 C VAL A 2 17.263 -25.714 -2.773 1.00 0.00 C ATOM 21 O VAL A 2 16.866 -24.623 -3.184 1.00 0.00 O ATOM 22 CB VAL A 2 18.317 -24.737 -0.733 1.00 0.00 C ATOM 23 CG1 VAL A 2 18.602 -23.352 -1.294 1.00 0.00 C ATOM 24 CG2 VAL A 2 16.930 -24.794 -0.111 1.00 0.00 C ATOM 0 H VAL A 2 19.893 -24.710 -2.899 1.00 0.00 H new ATOM 0 HA VAL A 2 18.478 -26.793 -1.370 1.00 0.00 H new ATOM 0 HB VAL A 2 19.049 -24.944 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 2 18.497 -22.610 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 2 19.618 -23.321 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 2 17.896 -23.131 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 2 16.847 -24.032 0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 2 16.179 -24.613 -0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 2 16.769 -25.778 0.329 1.00 0.00 H new ATOM 34 N SER A 3 16.692 -26.865 -3.110 1.00 0.00 N ATOM 35 CA SER A 3 15.542 -26.915 -4.006 1.00 0.00 C ATOM 36 C SER A 3 14.557 -27.995 -3.566 1.00 0.00 C ATOM 37 O SER A 3 14.116 -28.812 -4.373 1.00 0.00 O ATOM 38 CB SER A 3 15.998 -27.180 -5.442 1.00 0.00 C ATOM 39 OG SER A 3 16.604 -26.029 -6.005 1.00 0.00 O ATOM 0 H SER A 3 17.006 -27.776 -2.776 1.00 0.00 H new ATOM 0 HA SER A 3 15.039 -25.949 -3.965 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.704 -28.010 -5.455 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.143 -27.479 -6.049 1.00 0.00 H new ATOM 0 HG SER A 3 16.888 -26.225 -6.922 1.00 0.00 H new ATOM 45 N GLN A 4 14.219 -27.990 -2.281 1.00 0.00 N ATOM 46 CA GLN A 4 13.288 -28.969 -1.733 1.00 0.00 C ATOM 47 C GLN A 4 11.858 -28.664 -2.169 1.00 0.00 C ATOM 48 O GLN A 4 11.618 -27.736 -2.942 1.00 0.00 O ATOM 49 CB GLN A 4 13.374 -28.987 -0.205 1.00 0.00 C ATOM 50 CG GLN A 4 13.960 -30.273 0.355 1.00 0.00 C ATOM 51 CD GLN A 4 15.291 -30.054 1.047 1.00 0.00 C ATOM 52 OE1 GLN A 4 15.356 -29.932 2.270 1.00 0.00 O ATOM 53 NE2 GLN A 4 16.364 -30.003 0.265 1.00 0.00 N ATOM 0 H GLN A 4 14.576 -27.319 -1.600 1.00 0.00 H new ATOM 0 HA GLN A 4 13.565 -29.951 -2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 4 13.982 -28.145 0.127 1.00 0.00 H new ATOM 0 HB3 GLN A 4 12.376 -28.842 0.209 1.00 0.00 H new ATOM 0 HG2 GLN A 4 13.255 -30.712 1.061 1.00 0.00 H new ATOM 0 HG3 GLN A 4 14.089 -30.992 -0.454 1.00 0.00 H new ATOM 0 HE21 GLN A 4 16.265 -30.109 -0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 4 17.287 -29.858 0.674 1.00 0.00 H new ATOM 62 N LYS A 5 10.912 -29.451 -1.669 1.00 0.00 N ATOM 63 CA LYS A 5 9.505 -29.266 -2.006 1.00 0.00 C ATOM 64 C LYS A 5 8.671 -29.031 -0.751 1.00 0.00 C ATOM 65 O LYS A 5 7.764 -29.803 -0.444 1.00 0.00 O ATOM 66 CB LYS A 5 8.976 -30.487 -2.762 1.00 0.00 C ATOM 67 CG LYS A 5 7.656 -30.238 -3.472 1.00 0.00 C ATOM 68 CD LYS A 5 7.865 -29.554 -4.813 1.00 0.00 C ATOM 69 CE LYS A 5 7.271 -30.369 -5.952 1.00 0.00 C ATOM 70 NZ LYS A 5 6.778 -29.500 -7.057 1.00 0.00 N ATOM 0 H LYS A 5 11.094 -30.224 -1.028 1.00 0.00 H new ATOM 0 HA LYS A 5 9.423 -28.387 -2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.720 -30.800 -3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.852 -31.312 -2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.138 -31.185 -3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.014 -29.620 -2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.407 -28.565 -4.794 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.931 -29.408 -4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.024 -31.056 -6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.449 -30.977 -5.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.381 -30.093 -7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.041 -28.862 -6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.567 -28.938 -7.435 1.00 0.00 H new ATOM 84 N ASN A 6 8.985 -27.960 -0.030 1.00 0.00 N ATOM 85 CA ASN A 6 8.263 -27.623 1.192 1.00 0.00 C ATOM 86 C ASN A 6 7.532 -26.292 1.043 1.00 0.00 C ATOM 87 O ASN A 6 6.303 -26.250 0.987 1.00 0.00 O ATOM 88 CB ASN A 6 9.228 -27.557 2.377 1.00 0.00 C ATOM 89 CG ASN A 6 8.504 -27.496 3.709 1.00 0.00 C ATOM 90 OD1 ASN A 6 8.458 -26.449 4.355 1.00 0.00 O ATOM 91 ND2 ASN A 6 7.936 -28.622 4.126 1.00 0.00 N ATOM 0 H ASN A 6 9.734 -27.311 -0.270 1.00 0.00 H new ATOM 0 HA ASN A 6 7.525 -28.404 1.375 1.00 0.00 H new ATOM 0 HB2 ASN A 6 9.880 -28.430 2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.867 -26.680 2.273 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.436 -28.642 5.015 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.000 -29.466 3.557 1.00 0.00 H new ATOM 98 N GLY A 7 8.297 -25.207 0.977 1.00 0.00 N ATOM 99 CA GLY A 7 7.705 -23.890 0.835 1.00 0.00 C ATOM 100 C GLY A 7 7.769 -23.377 -0.590 1.00 0.00 C ATOM 101 O GLY A 7 8.325 -22.309 -0.848 1.00 0.00 O ATOM 0 H GLY A 7 9.316 -25.217 1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.665 -23.926 1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.220 -23.190 1.493 1.00 0.00 H new ATOM 105 N ILE A 8 7.199 -24.139 -1.518 1.00 0.00 N ATOM 106 CA ILE A 8 7.195 -23.755 -2.924 1.00 0.00 C ATOM 107 C ILE A 8 5.786 -23.416 -3.397 1.00 0.00 C ATOM 108 O ILE A 8 5.605 -22.657 -4.349 1.00 0.00 O ATOM 109 CB ILE A 8 7.768 -24.873 -3.815 1.00 0.00 C ATOM 110 CG1 ILE A 8 9.131 -25.326 -3.288 1.00 0.00 C ATOM 111 CG2 ILE A 8 7.882 -24.397 -5.255 1.00 0.00 C ATOM 112 CD1 ILE A 8 10.147 -24.209 -3.203 1.00 0.00 C ATOM 0 H ILE A 8 6.734 -25.025 -1.321 1.00 0.00 H new ATOM 0 HA ILE A 8 7.828 -22.872 -3.011 1.00 0.00 H new ATOM 0 HB ILE A 8 7.088 -25.724 -3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.002 -25.765 -2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.520 -26.111 -3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.288 -25.198 -5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.895 -24.119 -5.625 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.544 -23.532 -5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.089 -24.602 -2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 8 10.306 -23.785 -4.195 1.00 0.00 H new ATOM 0 HD13 ILE A 8 9.779 -23.433 -2.531 1.00 0.00 H new ATOM 124 N ALA A 9 4.789 -23.982 -2.724 1.00 0.00 N ATOM 125 CA ALA A 9 3.395 -23.736 -3.073 1.00 0.00 C ATOM 126 C ALA A 9 3.105 -22.242 -3.158 1.00 0.00 C ATOM 127 O ALA A 9 2.946 -21.690 -4.247 1.00 0.00 O ATOM 128 CB ALA A 9 2.473 -24.398 -2.059 1.00 0.00 C ATOM 0 H ALA A 9 4.921 -24.614 -1.934 1.00 0.00 H new ATOM 0 HA ALA A 9 3.210 -24.171 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.435 -24.206 -2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.653 -25.473 -2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.669 -23.989 -1.068 1.00 0.00 H new ATOM 134 N THR A 10 3.038 -21.590 -2.001 1.00 0.00 N ATOM 135 CA THR A 10 2.765 -20.159 -1.944 1.00 0.00 C ATOM 136 C THR A 10 3.860 -19.363 -2.644 1.00 0.00 C ATOM 137 O THR A 10 3.581 -18.405 -3.365 1.00 0.00 O ATOM 138 CB THR A 10 2.639 -19.669 -0.490 1.00 0.00 C ATOM 139 OG1 THR A 10 3.171 -20.650 0.407 1.00 0.00 O ATOM 140 CG2 THR A 10 1.186 -19.388 -0.137 1.00 0.00 C ATOM 0 H THR A 10 3.169 -22.031 -1.090 1.00 0.00 H new ATOM 0 HA THR A 10 1.817 -19.997 -2.457 1.00 0.00 H new ATOM 0 HB THR A 10 3.206 -18.743 -0.393 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.088 -20.329 1.329 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.122 -19.043 0.895 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.792 -18.619 -0.801 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.601 -20.300 -0.251 1.00 0.00 H new ATOM 148 N LEU A 11 5.108 -19.765 -2.428 1.00 0.00 N ATOM 149 CA LEU A 11 6.247 -19.089 -3.039 1.00 0.00 C ATOM 150 C LEU A 11 6.091 -19.023 -4.555 1.00 0.00 C ATOM 151 O LEU A 11 6.563 -18.084 -5.197 1.00 0.00 O ATOM 152 CB LEU A 11 7.547 -19.811 -2.679 1.00 0.00 C ATOM 153 CG LEU A 11 8.551 -19.010 -1.850 1.00 0.00 C ATOM 154 CD1 LEU A 11 9.144 -17.879 -2.676 1.00 0.00 C ATOM 155 CD2 LEU A 11 7.890 -18.465 -0.592 1.00 0.00 C ATOM 0 H LEU A 11 5.357 -20.556 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 11 6.285 -18.071 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.295 -20.719 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.035 -20.122 -3.603 1.00 0.00 H new ATOM 0 HG LEU A 11 9.360 -19.677 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.856 -17.320 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.654 -18.293 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.347 -17.213 -3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.620 -17.898 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.061 -17.814 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.515 -19.293 0.010 1.00 0.00 H new ATOM 167 N LEU A 12 5.425 -20.023 -5.120 1.00 0.00 N ATOM 168 CA LEU A 12 5.205 -20.078 -6.561 1.00 0.00 C ATOM 169 C LEU A 12 4.534 -18.802 -7.058 1.00 0.00 C ATOM 170 O LEU A 12 4.751 -18.377 -8.193 1.00 0.00 O ATOM 171 CB LEU A 12 4.346 -21.292 -6.920 1.00 0.00 C ATOM 172 CG LEU A 12 4.220 -21.607 -8.411 1.00 0.00 C ATOM 173 CD1 LEU A 12 4.103 -23.108 -8.631 1.00 0.00 C ATOM 174 CD2 LEU A 12 3.022 -20.884 -9.009 1.00 0.00 C ATOM 0 H LEU A 12 5.028 -20.807 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 12 6.176 -20.170 -7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.760 -22.166 -6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.346 -21.137 -6.516 1.00 0.00 H new ATOM 0 HG LEU A 12 5.120 -21.255 -8.915 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.014 -23.314 -9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.991 -23.604 -8.239 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.220 -23.484 -8.114 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.948 -21.120 -10.071 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.113 -21.205 -8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.147 -19.808 -8.884 1.00 0.00 H new ATOM 186 N GLN A 13 3.721 -18.194 -6.201 1.00 0.00 N ATOM 187 CA GLN A 13 3.020 -16.965 -6.553 1.00 0.00 C ATOM 188 C GLN A 13 3.992 -15.794 -6.654 1.00 0.00 C ATOM 189 O GLN A 13 3.928 -15.001 -7.593 1.00 0.00 O ATOM 190 CB GLN A 13 1.937 -16.656 -5.518 1.00 0.00 C ATOM 191 CG GLN A 13 0.527 -16.679 -6.088 1.00 0.00 C ATOM 192 CD GLN A 13 -0.427 -17.509 -5.251 1.00 0.00 C ATOM 193 OE1 GLN A 13 -0.215 -18.705 -5.051 1.00 0.00 O ATOM 194 NE2 GLN A 13 -1.484 -16.876 -4.757 1.00 0.00 N ATOM 0 H GLN A 13 3.531 -18.532 -5.258 1.00 0.00 H new ATOM 0 HA GLN A 13 2.551 -17.110 -7.526 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.004 -17.381 -4.707 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.129 -15.674 -5.085 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.150 -15.658 -6.157 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.556 -17.077 -7.102 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.620 -15.883 -4.949 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.161 -17.382 -4.186 1.00 0.00 H new ATOM 203 N ALA A 14 4.891 -15.692 -5.680 1.00 0.00 N ATOM 204 CA ALA A 14 5.877 -14.618 -5.660 1.00 0.00 C ATOM 205 C ALA A 14 6.883 -14.776 -6.796 1.00 0.00 C ATOM 206 O ALA A 14 7.246 -13.802 -7.454 1.00 0.00 O ATOM 207 CB ALA A 14 6.594 -14.585 -4.319 1.00 0.00 C ATOM 0 H ALA A 14 4.957 -16.340 -4.895 1.00 0.00 H new ATOM 0 HA ALA A 14 5.352 -13.673 -5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.327 -13.778 -4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.869 -14.417 -3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.101 -15.536 -4.154 1.00 0.00 H new ATOM 213 N GLU A 15 7.329 -16.008 -7.019 1.00 0.00 N ATOM 214 CA GLU A 15 8.294 -16.291 -8.074 1.00 0.00 C ATOM 215 C GLU A 15 7.668 -16.091 -9.452 1.00 0.00 C ATOM 216 O GLU A 15 8.292 -15.533 -10.355 1.00 0.00 O ATOM 217 CB GLU A 15 8.821 -17.722 -7.944 1.00 0.00 C ATOM 218 CG GLU A 15 9.948 -18.046 -8.911 1.00 0.00 C ATOM 219 CD GLU A 15 11.255 -18.346 -8.203 1.00 0.00 C ATOM 220 OE1 GLU A 15 11.682 -17.520 -7.370 1.00 0.00 O ATOM 221 OE2 GLU A 15 11.850 -19.407 -8.484 1.00 0.00 O ATOM 0 H GLU A 15 7.037 -16.826 -6.483 1.00 0.00 H new ATOM 0 HA GLU A 15 9.125 -15.594 -7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.172 -17.880 -6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.000 -18.419 -8.110 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.664 -18.904 -9.520 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.092 -17.206 -9.591 1.00 0.00 H new ATOM 228 N LYS A 16 6.432 -16.552 -9.605 1.00 0.00 N ATOM 229 CA LYS A 16 5.719 -16.425 -10.871 1.00 0.00 C ATOM 230 C LYS A 16 5.475 -14.959 -11.213 1.00 0.00 C ATOM 231 O LYS A 16 5.771 -14.513 -12.321 1.00 0.00 O ATOM 232 CB LYS A 16 4.386 -17.173 -10.807 1.00 0.00 C ATOM 233 CG LYS A 16 3.564 -17.061 -12.079 1.00 0.00 C ATOM 234 CD LYS A 16 2.387 -16.116 -11.902 1.00 0.00 C ATOM 235 CE LYS A 16 1.276 -16.416 -12.895 1.00 0.00 C ATOM 236 NZ LYS A 16 -0.008 -15.772 -12.503 1.00 0.00 N ATOM 0 H LYS A 16 5.902 -17.017 -8.868 1.00 0.00 H new ATOM 0 HA LYS A 16 6.338 -16.865 -11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.579 -18.226 -10.601 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.802 -16.787 -9.972 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.197 -16.706 -12.892 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.200 -18.047 -12.366 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.001 -16.201 -10.886 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.723 -15.087 -12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.570 -16.067 -13.885 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.134 -17.494 -12.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.740 -16.001 -13.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.302 -16.124 -11.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.120 -14.741 -12.460 1.00 0.00 H new ATOM 250 N GLU A 17 4.935 -14.214 -10.253 1.00 0.00 N ATOM 251 CA GLU A 17 4.653 -12.797 -10.455 1.00 0.00 C ATOM 252 C GLU A 17 5.937 -12.021 -10.732 1.00 0.00 C ATOM 253 O GLU A 17 5.992 -11.198 -11.645 1.00 0.00 O ATOM 254 CB GLU A 17 3.947 -12.216 -9.228 1.00 0.00 C ATOM 255 CG GLU A 17 3.029 -11.049 -9.550 1.00 0.00 C ATOM 256 CD GLU A 17 3.246 -9.864 -8.630 1.00 0.00 C ATOM 257 OE1 GLU A 17 4.260 -9.156 -8.802 1.00 0.00 O ATOM 258 OE2 GLU A 17 2.401 -9.644 -7.737 1.00 0.00 O ATOM 0 H GLU A 17 4.684 -14.567 -9.329 1.00 0.00 H new ATOM 0 HA GLU A 17 3.998 -12.702 -11.321 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.366 -13.003 -8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.697 -11.889 -8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.192 -10.738 -10.582 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.992 -11.376 -9.476 1.00 0.00 H new ATOM 265 N ALA A 18 6.967 -12.288 -9.936 1.00 0.00 N ATOM 266 CA ALA A 18 8.251 -11.616 -10.095 1.00 0.00 C ATOM 267 C ALA A 18 8.818 -11.840 -11.493 1.00 0.00 C ATOM 268 O ALA A 18 9.234 -10.895 -12.164 1.00 0.00 O ATOM 269 CB ALA A 18 9.235 -12.101 -9.040 1.00 0.00 C ATOM 0 H ALA A 18 6.937 -12.965 -9.174 1.00 0.00 H new ATOM 0 HA ALA A 18 8.092 -10.546 -9.963 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.189 -11.591 -9.171 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.840 -11.884 -8.047 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.381 -13.176 -9.145 1.00 0.00 H new ATOM 275 N HIS A 19 8.831 -13.097 -11.926 1.00 0.00 N ATOM 276 CA HIS A 19 9.348 -13.445 -13.246 1.00 0.00 C ATOM 277 C HIS A 19 8.477 -12.845 -14.345 1.00 0.00 C ATOM 278 O HIS A 19 8.973 -12.467 -15.406 1.00 0.00 O ATOM 279 CB HIS A 19 9.418 -14.964 -13.405 1.00 0.00 C ATOM 280 CG HIS A 19 9.832 -15.404 -14.775 1.00 0.00 C ATOM 281 ND1 HIS A 19 11.019 -15.019 -15.362 1.00 0.00 N ATOM 282 CD2 HIS A 19 9.211 -16.203 -15.674 1.00 0.00 C ATOM 283 CE1 HIS A 19 11.110 -15.560 -16.564 1.00 0.00 C ATOM 284 NE2 HIS A 19 10.025 -16.284 -16.777 1.00 0.00 N ATOM 0 H HIS A 19 8.490 -13.891 -11.383 1.00 0.00 H new ATOM 0 HA HIS A 19 10.353 -13.032 -13.337 1.00 0.00 H new ATOM 0 HB2 HIS A 19 10.121 -15.365 -12.675 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.442 -15.391 -13.175 1.00 0.00 H new ATOM 0 HD2 HIS A 19 8.254 -16.687 -15.547 1.00 0.00 H new ATOM 0 HE1 HIS A 19 11.931 -15.432 -17.254 1.00 0.00 H new ATOM 0 HE2 HIS A 19 9.825 -16.817 -17.624 1.00 0.00 H new ATOM 292 N GLU A 20 7.176 -12.763 -14.084 1.00 0.00 N ATOM 293 CA GLU A 20 6.236 -12.211 -15.054 1.00 0.00 C ATOM 294 C GLU A 20 6.528 -10.737 -15.315 1.00 0.00 C ATOM 295 O GLU A 20 6.591 -10.300 -16.465 1.00 0.00 O ATOM 296 CB GLU A 20 4.799 -12.378 -14.556 1.00 0.00 C ATOM 297 CG GLU A 20 3.750 -12.064 -15.609 1.00 0.00 C ATOM 298 CD GLU A 20 4.013 -12.773 -16.924 1.00 0.00 C ATOM 299 OE1 GLU A 20 4.740 -12.209 -17.768 1.00 0.00 O ATOM 300 OE2 GLU A 20 3.491 -13.893 -17.108 1.00 0.00 O ATOM 0 H GLU A 20 6.749 -13.071 -13.210 1.00 0.00 H new ATOM 0 HA GLU A 20 6.354 -12.758 -15.989 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.660 -13.402 -14.211 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.644 -11.728 -13.695 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.768 -12.352 -15.235 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.723 -10.988 -15.780 1.00 0.00 H new ATOM 307 N ILE A 21 6.704 -9.975 -14.241 1.00 0.00 N ATOM 308 CA ILE A 21 6.989 -8.550 -14.354 1.00 0.00 C ATOM 309 C ILE A 21 8.367 -8.311 -14.964 1.00 0.00 C ATOM 310 O ILE A 21 8.526 -7.482 -15.860 1.00 0.00 O ATOM 311 CB ILE A 21 6.919 -7.851 -12.983 1.00 0.00 C ATOM 312 CG1 ILE A 21 5.535 -8.042 -12.360 1.00 0.00 C ATOM 313 CG2 ILE A 21 7.243 -6.371 -13.126 1.00 0.00 C ATOM 314 CD1 ILE A 21 4.422 -7.390 -13.149 1.00 0.00 C ATOM 0 H ILE A 21 6.654 -10.321 -13.283 1.00 0.00 H new ATOM 0 HA ILE A 21 6.226 -8.127 -15.008 1.00 0.00 H new ATOM 0 HB ILE A 21 7.659 -8.302 -12.322 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.330 -9.109 -12.271 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.541 -7.633 -11.350 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.189 -5.891 -12.149 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.248 -6.256 -13.532 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.524 -5.905 -13.799 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.470 -7.566 -12.649 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.604 -6.317 -13.216 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.389 -7.816 -14.152 1.00 0.00 H new ATOM 326 N VAL A 22 9.360 -9.046 -14.473 1.00 0.00 N ATOM 327 CA VAL A 22 10.724 -8.917 -14.972 1.00 0.00 C ATOM 328 C VAL A 22 10.811 -9.309 -16.443 1.00 0.00 C ATOM 329 O VAL A 22 11.460 -8.630 -17.239 1.00 0.00 O ATOM 330 CB VAL A 22 11.703 -9.787 -14.161 1.00 0.00 C ATOM 331 CG1 VAL A 22 13.113 -9.664 -14.716 1.00 0.00 C ATOM 332 CG2 VAL A 22 11.664 -9.403 -12.690 1.00 0.00 C ATOM 0 H VAL A 22 9.246 -9.736 -13.731 1.00 0.00 H new ATOM 0 HA VAL A 22 11.004 -7.869 -14.861 1.00 0.00 H new ATOM 0 HB VAL A 22 11.394 -10.829 -14.249 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.790 -10.286 -14.130 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.125 -9.994 -15.755 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.436 -8.624 -14.661 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.362 -10.028 -12.132 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.946 -8.356 -12.580 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.656 -9.550 -12.302 1.00 0.00 H new ATOM 342 N SER A 23 10.153 -10.408 -16.796 1.00 0.00 N ATOM 343 CA SER A 23 10.158 -10.893 -18.172 1.00 0.00 C ATOM 344 C SER A 23 9.441 -9.914 -19.096 1.00 0.00 C ATOM 345 O SER A 23 9.904 -9.631 -20.201 1.00 0.00 O ATOM 346 CB SER A 23 9.493 -12.268 -18.252 1.00 0.00 C ATOM 347 OG SER A 23 9.676 -12.849 -19.532 1.00 0.00 O ATOM 0 H SER A 23 9.610 -10.980 -16.149 1.00 0.00 H new ATOM 0 HA SER A 23 11.195 -10.979 -18.497 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.912 -12.923 -17.488 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.428 -12.173 -18.041 1.00 0.00 H new ATOM 0 HG SER A 23 9.243 -13.728 -19.557 1.00 0.00 H new ATOM 353 N LYS A 24 8.306 -9.398 -18.635 1.00 0.00 N ATOM 354 CA LYS A 24 7.523 -8.449 -19.417 1.00 0.00 C ATOM 355 C LYS A 24 8.293 -7.149 -19.624 1.00 0.00 C ATOM 356 O LYS A 24 8.369 -6.632 -20.739 1.00 0.00 O ATOM 357 CB LYS A 24 6.191 -8.160 -18.721 1.00 0.00 C ATOM 358 CG LYS A 24 5.175 -7.470 -19.615 1.00 0.00 C ATOM 359 CD LYS A 24 4.497 -6.314 -18.900 1.00 0.00 C ATOM 360 CE LYS A 24 5.465 -5.166 -18.654 1.00 0.00 C ATOM 361 NZ LYS A 24 5.340 -4.103 -19.689 1.00 0.00 N ATOM 0 H LYS A 24 7.908 -9.622 -17.723 1.00 0.00 H new ATOM 0 HA LYS A 24 7.327 -8.894 -20.393 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.768 -9.098 -18.361 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.375 -7.537 -17.846 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.670 -7.103 -20.514 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.423 -8.191 -19.937 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.655 -5.960 -19.495 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.092 -6.660 -17.949 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.278 -4.738 -17.669 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.486 -5.547 -18.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.016 -3.339 -19.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.544 -4.505 -20.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.373 -3.721 -19.679 1.00 0.00 H new ATOM 375 N ALA A 25 8.864 -6.625 -18.544 1.00 0.00 N ATOM 376 CA ALA A 25 9.631 -5.388 -18.609 1.00 0.00 C ATOM 377 C ALA A 25 10.907 -5.574 -19.423 1.00 0.00 C ATOM 378 O ALA A 25 11.248 -4.738 -20.260 1.00 0.00 O ATOM 379 CB ALA A 25 9.964 -4.899 -17.207 1.00 0.00 C ATOM 0 H ALA A 25 8.809 -7.039 -17.613 1.00 0.00 H new ATOM 0 HA ALA A 25 9.019 -4.637 -19.109 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.537 -3.974 -17.271 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.041 -4.717 -16.656 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.553 -5.656 -16.688 1.00 0.00 H new ATOM 385 N ARG A 26 11.607 -6.676 -19.173 1.00 0.00 N ATOM 386 CA ARG A 26 12.846 -6.970 -19.882 1.00 0.00 C ATOM 387 C ARG A 26 12.581 -7.211 -21.365 1.00 0.00 C ATOM 388 O ARG A 26 13.331 -6.749 -22.225 1.00 0.00 O ATOM 389 CB ARG A 26 13.530 -8.195 -19.271 1.00 0.00 C ATOM 390 CG ARG A 26 14.985 -8.348 -19.681 1.00 0.00 C ATOM 391 CD ARG A 26 15.921 -7.713 -18.664 1.00 0.00 C ATOM 392 NE ARG A 26 16.884 -6.814 -19.293 1.00 0.00 N ATOM 393 CZ ARG A 26 17.885 -7.230 -20.061 1.00 0.00 C ATOM 394 NH1 ARG A 26 18.053 -8.525 -20.293 1.00 0.00 N ATOM 395 NH2 ARG A 26 18.721 -6.351 -20.598 1.00 0.00 N ATOM 0 H ARG A 26 11.337 -7.379 -18.485 1.00 0.00 H new ATOM 0 HA ARG A 26 13.504 -6.107 -19.784 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.473 -8.128 -18.185 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.982 -9.091 -19.565 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.225 -9.406 -19.787 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.140 -7.887 -20.657 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.336 -7.161 -17.929 1.00 0.00 H new ATOM 0 HD3 ARG A 26 16.454 -8.495 -18.124 1.00 0.00 H new ATOM 0 HE ARG A 26 16.783 -5.812 -19.134 1.00 0.00 H new ATOM 0 HH11 ARG A 26 17.413 -9.204 -19.881 1.00 0.00 H new ATOM 0 HH12 ARG A 26 18.822 -8.842 -20.883 1.00 0.00 H new ATOM 0 HH21 ARG A 26 18.596 -5.354 -20.421 1.00 0.00 H new ATOM 0 HH22 ARG A 26 19.489 -6.672 -21.187 1.00 0.00 H new ATOM 409 N LYS A 27 11.507 -7.937 -21.658 1.00 0.00 N ATOM 410 CA LYS A 27 11.140 -8.238 -23.037 1.00 0.00 C ATOM 411 C LYS A 27 10.785 -6.964 -23.797 1.00 0.00 C ATOM 412 O LYS A 27 11.282 -6.729 -24.899 1.00 0.00 O ATOM 413 CB LYS A 27 9.959 -9.211 -23.071 1.00 0.00 C ATOM 414 CG LYS A 27 9.532 -9.600 -24.475 1.00 0.00 C ATOM 415 CD LYS A 27 8.020 -9.569 -24.627 1.00 0.00 C ATOM 416 CE LYS A 27 7.510 -8.151 -24.830 1.00 0.00 C ATOM 417 NZ LYS A 27 6.295 -8.116 -25.690 1.00 0.00 N ATOM 0 H LYS A 27 10.876 -8.328 -20.959 1.00 0.00 H new ATOM 0 HA LYS A 27 11.999 -8.701 -23.522 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.225 -10.112 -22.519 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.112 -8.759 -22.555 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.985 -8.919 -25.196 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.901 -10.599 -24.705 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.726 -10.188 -25.475 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.555 -10.001 -23.741 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.283 -7.705 -23.862 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.294 -7.545 -25.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.979 -7.132 -25.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.518 -8.518 -26.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.538 -8.673 -25.245 1.00 0.00 H new ATOM 431 N TYR A 28 9.926 -6.146 -23.201 1.00 0.00 N ATOM 432 CA TYR A 28 9.504 -4.896 -23.823 1.00 0.00 C ATOM 433 C TYR A 28 10.668 -3.914 -23.914 1.00 0.00 C ATOM 434 O TYR A 28 10.839 -3.230 -24.924 1.00 0.00 O ATOM 435 CB TYR A 28 8.355 -4.270 -23.030 1.00 0.00 C ATOM 436 CG TYR A 28 7.198 -3.820 -23.894 1.00 0.00 C ATOM 437 CD1 TYR A 28 7.395 -2.938 -24.949 1.00 0.00 C ATOM 438 CD2 TYR A 28 5.909 -4.279 -23.655 1.00 0.00 C ATOM 439 CE1 TYR A 28 6.341 -2.524 -25.740 1.00 0.00 C ATOM 440 CE2 TYR A 28 4.849 -3.871 -24.442 1.00 0.00 C ATOM 441 CZ TYR A 28 5.070 -2.993 -25.483 1.00 0.00 C ATOM 442 OH TYR A 28 4.017 -2.585 -26.269 1.00 0.00 O ATOM 0 H TYR A 28 9.508 -6.325 -22.288 1.00 0.00 H new ATOM 0 HA TYR A 28 9.160 -5.119 -24.833 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.992 -4.993 -22.300 1.00 0.00 H new ATOM 0 HB3 TYR A 28 8.734 -3.415 -22.471 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.389 -2.570 -25.154 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.732 -4.966 -22.841 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.511 -1.837 -26.555 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.853 -4.238 -24.243 1.00 0.00 H new ATOM 0 HH TYR A 28 3.191 -3.009 -25.955 1.00 0.00 H new ATOM 452 N ARG A 29 11.465 -3.850 -22.853 1.00 0.00 N ATOM 453 CA ARG A 29 12.613 -2.952 -22.812 1.00 0.00 C ATOM 454 C ARG A 29 13.660 -3.361 -23.844 1.00 0.00 C ATOM 455 O ARG A 29 14.179 -2.522 -24.580 1.00 0.00 O ATOM 456 CB ARG A 29 13.233 -2.946 -21.414 1.00 0.00 C ATOM 457 CG ARG A 29 14.280 -1.862 -21.217 1.00 0.00 C ATOM 458 CD ARG A 29 13.732 -0.699 -20.405 1.00 0.00 C ATOM 459 NE ARG A 29 14.769 0.274 -20.073 1.00 0.00 N ATOM 460 CZ ARG A 29 15.666 0.093 -19.110 1.00 0.00 C ATOM 461 NH1 ARG A 29 15.652 -1.019 -18.387 1.00 0.00 N ATOM 462 NH2 ARG A 29 16.579 1.025 -18.868 1.00 0.00 N ATOM 0 H ARG A 29 11.337 -4.409 -22.010 1.00 0.00 H new ATOM 0 HA ARG A 29 12.266 -1.947 -23.052 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.442 -2.814 -20.676 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.688 -3.918 -21.223 1.00 0.00 H new ATOM 0 HG2 ARG A 29 15.150 -2.282 -20.712 1.00 0.00 H new ATOM 0 HG3 ARG A 29 14.619 -1.501 -22.188 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.939 -0.206 -20.968 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.283 -1.078 -19.487 1.00 0.00 H new ATOM 0 HE ARG A 29 14.807 1.140 -20.610 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.951 -1.737 -18.570 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.342 -1.156 -17.648 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.593 1.882 -19.422 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.267 0.885 -18.128 1.00 0.00 H new ATOM 476 N GLN A 30 13.965 -4.654 -23.890 1.00 0.00 N ATOM 477 CA GLN A 30 14.951 -5.173 -24.830 1.00 0.00 C ATOM 478 C GLN A 30 14.459 -5.035 -26.267 1.00 0.00 C ATOM 479 O GLN A 30 15.237 -4.744 -27.175 1.00 0.00 O ATOM 480 CB GLN A 30 15.258 -6.639 -24.522 1.00 0.00 C ATOM 481 CG GLN A 30 16.394 -7.211 -25.355 1.00 0.00 C ATOM 482 CD GLN A 30 17.197 -8.256 -24.606 1.00 0.00 C ATOM 483 OE1 GLN A 30 18.104 -7.928 -23.840 1.00 0.00 O ATOM 484 NE2 GLN A 30 16.868 -9.524 -24.824 1.00 0.00 N ATOM 0 H GLN A 30 13.544 -5.361 -23.287 1.00 0.00 H new ATOM 0 HA GLN A 30 15.864 -4.587 -24.720 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.509 -6.735 -23.466 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.360 -7.233 -24.691 1.00 0.00 H new ATOM 0 HG2 GLN A 30 15.986 -7.654 -26.264 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.056 -6.402 -25.664 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.109 -9.751 -25.467 1.00 0.00 H new ATOM 0 HE22 GLN A 30 17.374 -10.271 -24.348 1.00 0.00 H new ATOM 493 N ASP A 31 13.162 -5.245 -26.465 1.00 0.00 N ATOM 494 CA ASP A 31 12.565 -5.143 -27.792 1.00 0.00 C ATOM 495 C ASP A 31 12.609 -3.705 -28.299 1.00 0.00 C ATOM 496 O ASP A 31 12.924 -3.455 -29.462 1.00 0.00 O ATOM 497 CB ASP A 31 11.120 -5.644 -27.764 1.00 0.00 C ATOM 498 CG ASP A 31 11.032 -7.156 -27.714 1.00 0.00 C ATOM 499 OD1 ASP A 31 12.090 -7.809 -27.590 1.00 0.00 O ATOM 500 OD2 ASP A 31 9.905 -7.688 -27.797 1.00 0.00 O ATOM 0 H ASP A 31 12.504 -5.487 -25.724 1.00 0.00 H new ATOM 0 HA ASP A 31 13.144 -5.766 -28.473 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.610 -5.225 -26.897 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.596 -5.282 -28.648 1.00 0.00 H new ATOM 505 N LYS A 32 12.290 -2.763 -27.418 1.00 0.00 N ATOM 506 CA LYS A 32 12.293 -1.349 -27.775 1.00 0.00 C ATOM 507 C LYS A 32 13.717 -0.842 -27.977 1.00 0.00 C ATOM 508 O LYS A 32 13.994 -0.099 -28.920 1.00 0.00 O ATOM 509 CB LYS A 32 11.596 -0.527 -26.688 1.00 0.00 C ATOM 510 CG LYS A 32 10.472 0.348 -27.214 1.00 0.00 C ATOM 511 CD LYS A 32 9.371 0.522 -26.181 1.00 0.00 C ATOM 512 CE LYS A 32 9.784 1.491 -25.084 1.00 0.00 C ATOM 513 NZ LYS A 32 8.716 1.656 -24.059 1.00 0.00 N ATOM 0 H LYS A 32 12.026 -2.953 -26.451 1.00 0.00 H new ATOM 0 HA LYS A 32 11.750 -1.235 -28.713 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.195 -1.204 -25.933 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.334 0.103 -26.192 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.869 1.324 -27.492 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.057 -0.096 -28.119 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.467 0.887 -26.669 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.127 -0.445 -25.741 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.695 1.131 -24.605 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.018 2.460 -25.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.036 2.324 -23.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.855 2.024 -24.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.511 0.736 -23.620 1.00 0.00 H new ATOM 527 N LEU A 33 14.617 -1.248 -27.088 1.00 0.00 N ATOM 528 CA LEU A 33 16.013 -0.836 -27.170 1.00 0.00 C ATOM 529 C LEU A 33 16.692 -1.450 -28.391 1.00 0.00 C ATOM 530 O LEU A 33 17.440 -0.779 -29.103 1.00 0.00 O ATOM 531 CB LEU A 33 16.761 -1.242 -25.899 1.00 0.00 C ATOM 532 CG LEU A 33 16.439 -0.431 -24.643 1.00 0.00 C ATOM 533 CD1 LEU A 33 17.134 -1.028 -23.429 1.00 0.00 C ATOM 534 CD2 LEU A 33 16.843 1.024 -24.829 1.00 0.00 C ATOM 0 H LEU A 33 14.404 -1.862 -26.302 1.00 0.00 H new ATOM 0 HA LEU A 33 16.040 0.249 -27.269 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.547 -2.291 -25.695 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.831 -1.167 -26.091 1.00 0.00 H new ATOM 0 HG LEU A 33 15.363 -0.470 -24.475 1.00 0.00 H new ATOM 0 HD11 LEU A 33 16.893 -0.438 -22.545 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.795 -2.054 -23.284 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.212 -1.021 -23.587 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.606 1.586 -23.925 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.914 1.082 -25.022 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.298 1.448 -25.673 1.00 0.00 H new ATOM 546 N LYS A 34 16.424 -2.730 -28.628 1.00 0.00 N ATOM 547 CA LYS A 34 17.005 -3.435 -29.765 1.00 0.00 C ATOM 548 C LYS A 34 16.473 -2.877 -31.081 1.00 0.00 C ATOM 549 O LYS A 34 17.245 -2.532 -31.975 1.00 0.00 O ATOM 550 CB LYS A 34 16.699 -4.932 -29.672 1.00 0.00 C ATOM 551 CG LYS A 34 17.339 -5.753 -30.778 1.00 0.00 C ATOM 552 CD LYS A 34 18.695 -6.294 -30.358 1.00 0.00 C ATOM 553 CE LYS A 34 19.361 -7.067 -31.486 1.00 0.00 C ATOM 554 NZ LYS A 34 20.285 -8.115 -30.971 1.00 0.00 N ATOM 0 H LYS A 34 15.808 -3.300 -28.048 1.00 0.00 H new ATOM 0 HA LYS A 34 18.085 -3.288 -29.739 1.00 0.00 H new ATOM 0 HB2 LYS A 34 17.044 -5.306 -28.708 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.619 -5.076 -29.702 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.682 -6.581 -31.044 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.452 -5.137 -31.670 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.338 -5.469 -30.052 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.576 -6.944 -29.491 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.596 -7.531 -32.109 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.914 -6.376 -32.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.719 -8.619 -31.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 21.030 -7.670 -30.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.753 -8.789 -30.384 1.00 0.00 H new ATOM 568 N GLN A 35 15.152 -2.792 -31.191 1.00 0.00 N ATOM 569 CA GLN A 35 14.518 -2.275 -32.399 1.00 0.00 C ATOM 570 C GLN A 35 14.965 -0.844 -32.678 1.00 0.00 C ATOM 571 O GLN A 35 15.276 -0.491 -33.815 1.00 0.00 O ATOM 572 CB GLN A 35 12.995 -2.329 -32.265 1.00 0.00 C ATOM 573 CG GLN A 35 12.260 -2.089 -33.573 1.00 0.00 C ATOM 574 CD GLN A 35 10.763 -2.290 -33.447 1.00 0.00 C ATOM 575 OE1 GLN A 35 10.235 -3.346 -33.795 1.00 0.00 O ATOM 576 NE2 GLN A 35 10.069 -1.274 -32.947 1.00 0.00 N ATOM 0 H GLN A 35 14.500 -3.074 -30.459 1.00 0.00 H new ATOM 0 HA GLN A 35 14.824 -2.902 -33.236 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.708 -3.304 -31.870 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.676 -1.583 -31.537 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.459 -1.074 -33.916 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.651 -2.765 -34.334 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.547 -0.416 -32.671 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.058 -1.351 -32.839 1.00 0.00 H new ATOM 585 N ALA A 36 14.994 -0.024 -31.633 1.00 0.00 N ATOM 586 CA ALA A 36 15.405 1.369 -31.765 1.00 0.00 C ATOM 587 C ALA A 36 16.884 1.473 -32.120 1.00 0.00 C ATOM 588 O ALA A 36 17.265 2.209 -33.031 1.00 0.00 O ATOM 589 CB ALA A 36 15.113 2.130 -30.480 1.00 0.00 C ATOM 0 H ALA A 36 14.738 -0.300 -30.685 1.00 0.00 H new ATOM 0 HA ALA A 36 14.831 1.816 -32.577 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.425 3.168 -30.593 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.044 2.093 -30.270 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.661 1.674 -29.655 1.00 0.00 H new ATOM 595 N LYS A 37 17.715 0.734 -31.394 1.00 0.00 N ATOM 596 CA LYS A 37 19.154 0.742 -31.631 1.00 0.00 C ATOM 597 C LYS A 37 19.467 0.421 -33.089 1.00 0.00 C ATOM 598 O LYS A 37 20.256 1.113 -33.733 1.00 0.00 O ATOM 599 CB LYS A 37 19.849 -0.268 -30.715 1.00 0.00 C ATOM 600 CG LYS A 37 21.364 -0.241 -30.819 1.00 0.00 C ATOM 601 CD LYS A 37 21.865 -1.169 -31.912 1.00 0.00 C ATOM 602 CE LYS A 37 23.333 -1.518 -31.718 1.00 0.00 C ATOM 603 NZ LYS A 37 23.632 -2.914 -32.141 1.00 0.00 N ATOM 0 H LYS A 37 17.417 0.121 -30.635 1.00 0.00 H new ATOM 0 HA LYS A 37 19.528 1.742 -31.409 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.560 -0.069 -29.683 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.494 -1.270 -30.957 1.00 0.00 H new ATOM 0 HG2 LYS A 37 21.697 0.776 -31.023 1.00 0.00 H new ATOM 0 HG3 LYS A 37 21.800 -0.534 -29.864 1.00 0.00 H new ATOM 0 HD2 LYS A 37 21.270 -2.082 -31.916 1.00 0.00 H new ATOM 0 HD3 LYS A 37 21.728 -0.695 -32.884 1.00 0.00 H new ATOM 0 HE2 LYS A 37 23.950 -0.825 -32.291 1.00 0.00 H new ATOM 0 HE3 LYS A 37 23.601 -1.391 -30.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 24.642 -3.113 -31.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 23.062 -3.577 -31.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 23.401 -3.029 -33.148 1.00 0.00 H new ATOM 617 N THR A 38 18.842 -0.632 -33.606 1.00 0.00 N ATOM 618 CA THR A 38 19.053 -1.044 -34.988 1.00 0.00 C ATOM 619 C THR A 38 18.687 0.074 -35.957 1.00 0.00 C ATOM 620 O THR A 38 19.417 0.345 -36.911 1.00 0.00 O ATOM 621 CB THR A 38 18.227 -2.298 -35.333 1.00 0.00 C ATOM 622 OG1 THR A 38 16.986 -2.279 -34.620 1.00 0.00 O ATOM 623 CG2 THR A 38 18.996 -3.565 -34.987 1.00 0.00 C ATOM 0 H THR A 38 18.185 -1.215 -33.088 1.00 0.00 H new ATOM 0 HA THR A 38 20.113 -1.277 -35.090 1.00 0.00 H new ATOM 0 HB THR A 38 18.030 -2.292 -36.405 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.658 -1.358 -34.560 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.393 -4.437 -35.239 1.00 0.00 H new ATOM 0 HG22 THR A 38 19.927 -3.592 -35.553 1.00 0.00 H new ATOM 0 HG23 THR A 38 19.220 -3.575 -33.920 1.00 0.00 H new ATOM 631 N ASP A 39 17.553 0.719 -35.707 1.00 0.00 N ATOM 632 CA ASP A 39 17.091 1.810 -36.557 1.00 0.00 C ATOM 633 C ASP A 39 18.108 2.947 -36.584 1.00 0.00 C ATOM 634 O ASP A 39 18.417 3.492 -37.643 1.00 0.00 O ATOM 635 CB ASP A 39 15.739 2.330 -36.067 1.00 0.00 C ATOM 636 CG ASP A 39 14.628 2.094 -37.071 1.00 0.00 C ATOM 637 OD1 ASP A 39 14.453 2.941 -37.972 1.00 0.00 O ATOM 638 OD2 ASP A 39 13.934 1.062 -36.957 1.00 0.00 O ATOM 0 H ASP A 39 16.937 0.505 -34.923 1.00 0.00 H new ATOM 0 HA ASP A 39 16.977 1.424 -37.570 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.484 1.841 -35.127 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.817 3.397 -35.860 1.00 0.00 H new ATOM 643 N ALA A 40 18.623 3.300 -35.411 1.00 0.00 N ATOM 644 CA ALA A 40 19.606 4.371 -35.300 1.00 0.00 C ATOM 645 C ALA A 40 20.876 4.034 -36.073 1.00 0.00 C ATOM 646 O ALA A 40 21.400 4.863 -36.817 1.00 0.00 O ATOM 647 CB ALA A 40 19.931 4.639 -33.838 1.00 0.00 C ATOM 0 H ALA A 40 18.376 2.860 -34.524 1.00 0.00 H new ATOM 0 HA ALA A 40 19.175 5.272 -35.737 1.00 0.00 H new ATOM 0 HB1 ALA A 40 20.666 5.441 -33.770 1.00 0.00 H new ATOM 0 HB2 ALA A 40 19.023 4.933 -33.311 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.337 3.735 -33.384 1.00 0.00 H new ATOM 653 N ALA A 41 21.366 2.812 -35.892 1.00 0.00 N ATOM 654 CA ALA A 41 22.575 2.365 -36.574 1.00 0.00 C ATOM 655 C ALA A 41 22.397 2.406 -38.088 1.00 0.00 C ATOM 656 O ALA A 41 23.296 2.825 -38.818 1.00 0.00 O ATOM 657 CB ALA A 41 22.947 0.961 -36.122 1.00 0.00 C ATOM 0 H ALA A 41 20.945 2.114 -35.279 1.00 0.00 H new ATOM 0 HA ALA A 41 23.385 3.046 -36.311 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.851 0.640 -36.639 1.00 0.00 H new ATOM 0 HB2 ALA A 41 23.124 0.960 -35.046 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.132 0.276 -36.356 1.00 0.00 H new ATOM 663 N LYS A 42 21.233 1.967 -38.555 1.00 0.00 N ATOM 664 CA LYS A 42 20.937 1.953 -39.982 1.00 0.00 C ATOM 665 C LYS A 42 20.822 3.373 -40.528 1.00 0.00 C ATOM 666 O LYS A 42 21.235 3.650 -41.653 1.00 0.00 O ATOM 667 CB LYS A 42 19.638 1.187 -40.247 1.00 0.00 C ATOM 668 CG LYS A 42 19.628 0.449 -41.575 1.00 0.00 C ATOM 669 CD LYS A 42 18.212 0.129 -42.023 1.00 0.00 C ATOM 670 CE LYS A 42 17.528 -0.835 -41.066 1.00 0.00 C ATOM 671 NZ LYS A 42 16.104 -1.065 -41.433 1.00 0.00 N ATOM 0 H LYS A 42 20.479 1.616 -37.965 1.00 0.00 H new ATOM 0 HA LYS A 42 21.759 1.451 -40.493 1.00 0.00 H new ATOM 0 HB2 LYS A 42 19.478 0.471 -39.441 1.00 0.00 H new ATOM 0 HB3 LYS A 42 18.802 1.886 -40.223 1.00 0.00 H new ATOM 0 HG2 LYS A 42 20.122 1.056 -42.334 1.00 0.00 H new ATOM 0 HG3 LYS A 42 20.199 -0.475 -41.484 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.633 1.050 -42.088 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.235 -0.304 -43.023 1.00 0.00 H new ATOM 0 HE2 LYS A 42 18.061 -1.786 -41.066 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.582 -0.439 -40.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.674 -1.727 -40.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.589 -0.162 -41.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.053 -1.467 -42.391 1.00 0.00 H new ATOM 685 N GLU A 43 20.260 4.268 -39.722 1.00 0.00 N ATOM 686 CA GLU A 43 20.093 5.660 -40.125 1.00 0.00 C ATOM 687 C GLU A 43 21.447 6.344 -40.293 1.00 0.00 C ATOM 688 O GLU A 43 21.683 7.040 -41.280 1.00 0.00 O ATOM 689 CB GLU A 43 19.252 6.415 -39.094 1.00 0.00 C ATOM 690 CG GLU A 43 17.859 6.768 -39.585 1.00 0.00 C ATOM 691 CD GLU A 43 16.978 7.334 -38.488 1.00 0.00 C ATOM 692 OE1 GLU A 43 17.504 7.613 -37.390 1.00 0.00 O ATOM 693 OE2 GLU A 43 15.764 7.499 -38.728 1.00 0.00 O ATOM 0 H GLU A 43 19.913 4.055 -38.787 1.00 0.00 H new ATOM 0 HA GLU A 43 19.577 5.674 -41.085 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.167 5.808 -38.192 1.00 0.00 H new ATOM 0 HB3 GLU A 43 19.772 7.331 -38.814 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.937 7.494 -40.394 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.388 5.877 -40.000 1.00 0.00 H new ATOM 700 N ILE A 44 22.331 6.140 -39.322 1.00 0.00 N ATOM 701 CA ILE A 44 23.660 6.736 -39.363 1.00 0.00 C ATOM 702 C ILE A 44 24.489 6.154 -40.502 1.00 0.00 C ATOM 703 O ILE A 44 25.151 6.885 -41.239 1.00 0.00 O ATOM 704 CB ILE A 44 24.412 6.526 -38.035 1.00 0.00 C ATOM 705 CG1 ILE A 44 23.608 7.107 -36.870 1.00 0.00 C ATOM 706 CG2 ILE A 44 25.793 7.161 -38.102 1.00 0.00 C ATOM 707 CD1 ILE A 44 24.071 6.620 -35.515 1.00 0.00 C ATOM 0 H ILE A 44 22.151 5.567 -38.498 1.00 0.00 H new ATOM 0 HA ILE A 44 23.522 7.805 -39.528 1.00 0.00 H new ATOM 0 HB ILE A 44 24.533 5.456 -37.869 1.00 0.00 H new ATOM 0 HG12 ILE A 44 23.676 8.195 -36.899 1.00 0.00 H new ATOM 0 HG13 ILE A 44 22.557 6.849 -37.000 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.312 7.004 -37.156 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.365 6.704 -38.910 1.00 0.00 H new ATOM 0 HG23 ILE A 44 25.693 8.230 -38.288 1.00 0.00 H new ATOM 0 HD11 ILE A 44 23.457 7.072 -34.736 1.00 0.00 H new ATOM 0 HD12 ILE A 44 23.977 5.535 -35.467 1.00 0.00 H new ATOM 0 HD13 ILE A 44 25.113 6.901 -35.364 1.00 0.00 H new ATOM 719 N ASP A 45 24.447 4.833 -40.642 1.00 0.00 N ATOM 720 CA ASP A 45 25.192 4.152 -41.694 1.00 0.00 C ATOM 721 C ASP A 45 24.656 4.528 -43.071 1.00 0.00 C ATOM 722 O ASP A 45 25.421 4.845 -43.981 1.00 0.00 O ATOM 723 CB ASP A 45 25.118 2.636 -41.501 1.00 0.00 C ATOM 724 CG ASP A 45 26.061 2.144 -40.421 1.00 0.00 C ATOM 725 OD1 ASP A 45 26.938 2.926 -39.996 1.00 0.00 O ATOM 726 OD2 ASP A 45 25.923 0.976 -40.000 1.00 0.00 O ATOM 0 H ASP A 45 23.905 4.213 -40.040 1.00 0.00 H new ATOM 0 HA ASP A 45 26.233 4.469 -41.631 1.00 0.00 H new ATOM 0 HB2 ASP A 45 24.097 2.355 -41.244 1.00 0.00 H new ATOM 0 HB3 ASP A 45 25.358 2.141 -42.442 1.00 0.00 H new ATOM 731 N SER A 46 23.335 4.490 -43.217 1.00 0.00 N ATOM 732 CA SER A 46 22.696 4.822 -44.485 1.00 0.00 C ATOM 733 C SER A 46 22.985 6.268 -44.876 1.00 0.00 C ATOM 734 O SER A 46 23.240 6.568 -46.043 1.00 0.00 O ATOM 735 CB SER A 46 21.185 4.599 -44.393 1.00 0.00 C ATOM 736 OG SER A 46 20.875 3.217 -44.355 1.00 0.00 O ATOM 0 H SER A 46 22.687 4.233 -42.473 1.00 0.00 H new ATOM 0 HA SER A 46 23.107 4.167 -45.253 1.00 0.00 H new ATOM 0 HB2 SER A 46 20.796 5.087 -43.499 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.693 5.062 -45.249 1.00 0.00 H new ATOM 0 HG SER A 46 20.895 2.903 -43.427 1.00 0.00 H new ATOM 742 N TYR A 47 22.943 7.160 -43.893 1.00 0.00 N ATOM 743 CA TYR A 47 23.197 8.575 -44.134 1.00 0.00 C ATOM 744 C TYR A 47 24.669 8.818 -44.453 1.00 0.00 C ATOM 745 O TYR A 47 25.008 9.684 -45.260 1.00 0.00 O ATOM 746 CB TYR A 47 22.785 9.403 -42.915 1.00 0.00 C ATOM 747 CG TYR A 47 22.811 10.895 -43.160 1.00 0.00 C ATOM 748 CD1 TYR A 47 22.238 11.442 -44.301 1.00 0.00 C ATOM 749 CD2 TYR A 47 23.408 11.758 -42.250 1.00 0.00 C ATOM 750 CE1 TYR A 47 22.260 12.804 -44.529 1.00 0.00 C ATOM 751 CE2 TYR A 47 23.434 13.122 -42.469 1.00 0.00 C ATOM 752 CZ TYR A 47 22.859 13.640 -43.610 1.00 0.00 C ATOM 753 OH TYR A 47 22.882 14.998 -43.833 1.00 0.00 O ATOM 0 H TYR A 47 22.735 6.928 -42.922 1.00 0.00 H new ATOM 0 HA TYR A 47 22.602 8.884 -44.993 1.00 0.00 H new ATOM 0 HB2 TYR A 47 21.780 9.111 -42.610 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.451 9.168 -42.085 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.767 10.791 -45.023 1.00 0.00 H new ATOM 0 HD2 TYR A 47 23.860 11.356 -41.355 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.811 13.212 -45.422 1.00 0.00 H new ATOM 0 HE2 TYR A 47 23.902 13.779 -41.751 1.00 0.00 H new ATOM 0 HH TYR A 47 23.340 15.444 -43.090 1.00 0.00 H new ATOM 763 N LYS A 48 25.541 8.045 -43.813 1.00 0.00 N ATOM 764 CA LYS A 48 26.978 8.172 -44.028 1.00 0.00 C ATOM 765 C LYS A 48 27.355 7.752 -45.445 1.00 0.00 C ATOM 766 O LYS A 48 28.139 8.426 -46.114 1.00 0.00 O ATOM 767 CB LYS A 48 27.743 7.322 -43.012 1.00 0.00 C ATOM 768 CG LYS A 48 29.248 7.518 -43.065 1.00 0.00 C ATOM 769 CD LYS A 48 29.965 6.236 -43.452 1.00 0.00 C ATOM 770 CE LYS A 48 30.273 5.380 -42.233 1.00 0.00 C ATOM 771 NZ LYS A 48 31.668 5.580 -41.753 1.00 0.00 N ATOM 0 H LYS A 48 25.277 7.324 -43.141 1.00 0.00 H new ATOM 0 HA LYS A 48 27.249 9.219 -43.894 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.389 7.563 -42.010 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.516 6.270 -43.186 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.488 8.301 -43.784 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.606 7.857 -42.093 1.00 0.00 H new ATOM 0 HD2 LYS A 48 29.348 5.669 -44.149 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.892 6.479 -43.971 1.00 0.00 H new ATOM 0 HE2 LYS A 48 29.575 5.624 -41.432 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.121 4.329 -42.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 31.838 4.979 -40.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 32.335 5.323 -42.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 31.806 6.578 -41.494 1.00 0.00 H new ATOM 785 N ILE A 49 26.791 6.637 -45.897 1.00 0.00 N ATOM 786 CA ILE A 49 27.067 6.130 -47.235 1.00 0.00 C ATOM 787 C ILE A 49 26.435 7.018 -48.301 1.00 0.00 C ATOM 788 O ILE A 49 27.068 7.345 -49.305 1.00 0.00 O ATOM 789 CB ILE A 49 26.549 4.690 -47.410 1.00 0.00 C ATOM 790 CG1 ILE A 49 27.227 3.755 -46.406 1.00 0.00 C ATOM 791 CG2 ILE A 49 26.788 4.210 -48.833 1.00 0.00 C ATOM 792 CD1 ILE A 49 28.718 3.615 -46.622 1.00 0.00 C ATOM 0 H ILE A 49 26.140 6.068 -45.356 1.00 0.00 H new ATOM 0 HA ILE A 49 28.150 6.135 -47.356 1.00 0.00 H new ATOM 0 HB ILE A 49 25.476 4.681 -47.220 1.00 0.00 H new ATOM 0 HG12 ILE A 49 27.048 4.127 -45.397 1.00 0.00 H new ATOM 0 HG13 ILE A 49 26.765 2.770 -46.470 1.00 0.00 H new ATOM 0 HG21 ILE A 49 26.416 3.191 -48.940 1.00 0.00 H new ATOM 0 HG22 ILE A 49 26.263 4.863 -49.530 1.00 0.00 H new ATOM 0 HG23 ILE A 49 27.856 4.232 -49.050 1.00 0.00 H new ATOM 0 HD11 ILE A 49 29.132 2.938 -45.875 1.00 0.00 H new ATOM 0 HD12 ILE A 49 28.905 3.214 -47.618 1.00 0.00 H new ATOM 0 HD13 ILE A 49 29.192 4.592 -46.529 1.00 0.00 H new ATOM 804 N GLN A 50 25.185 7.407 -48.074 1.00 0.00 N ATOM 805 CA GLN A 50 24.468 8.260 -49.015 1.00 0.00 C ATOM 806 C GLN A 50 25.131 9.629 -49.124 1.00 0.00 C ATOM 807 O GLN A 50 25.295 10.165 -50.219 1.00 0.00 O ATOM 808 CB GLN A 50 23.009 8.419 -48.582 1.00 0.00 C ATOM 809 CG GLN A 50 22.078 8.816 -49.715 1.00 0.00 C ATOM 810 CD GLN A 50 21.413 7.621 -50.370 1.00 0.00 C ATOM 811 OE1 GLN A 50 21.163 6.604 -49.723 1.00 0.00 O ATOM 812 NE2 GLN A 50 21.123 7.738 -51.660 1.00 0.00 N ATOM 0 H GLN A 50 24.648 7.146 -47.247 1.00 0.00 H new ATOM 0 HA GLN A 50 24.499 7.783 -49.995 1.00 0.00 H new ATOM 0 HB2 GLN A 50 22.663 7.480 -48.150 1.00 0.00 H new ATOM 0 HB3 GLN A 50 22.952 9.172 -47.796 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.311 9.489 -49.331 1.00 0.00 H new ATOM 0 HG3 GLN A 50 22.641 9.370 -50.466 1.00 0.00 H new ATOM 0 HE21 GLN A 50 21.348 8.600 -52.157 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.675 6.966 -52.154 1.00 0.00 H new ATOM 821 N LYS A 51 25.510 10.189 -47.980 1.00 0.00 N ATOM 822 CA LYS A 51 26.157 11.496 -47.946 1.00 0.00 C ATOM 823 C LYS A 51 27.545 11.433 -48.575 1.00 0.00 C ATOM 824 O LYS A 51 27.918 12.299 -49.366 1.00 0.00 O ATOM 825 CB LYS A 51 26.260 11.998 -46.504 1.00 0.00 C ATOM 826 CG LYS A 51 26.666 13.458 -46.397 1.00 0.00 C ATOM 827 CD LYS A 51 27.600 13.692 -45.221 1.00 0.00 C ATOM 828 CE LYS A 51 26.833 14.105 -43.974 1.00 0.00 C ATOM 829 NZ LYS A 51 27.449 15.288 -43.311 1.00 0.00 N ATOM 0 H LYS A 51 25.380 9.759 -47.064 1.00 0.00 H new ATOM 0 HA LYS A 51 25.548 12.191 -48.524 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.298 11.860 -46.010 1.00 0.00 H new ATOM 0 HB3 LYS A 51 26.985 11.387 -45.966 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.156 13.769 -47.320 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.776 14.077 -46.285 1.00 0.00 H new ATOM 0 HD2 LYS A 51 28.165 12.783 -45.017 1.00 0.00 H new ATOM 0 HD3 LYS A 51 28.323 14.466 -45.478 1.00 0.00 H new ATOM 0 HE2 LYS A 51 25.802 14.335 -44.241 1.00 0.00 H new ATOM 0 HE3 LYS A 51 26.803 13.271 -43.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 26.898 15.538 -42.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 28.425 15.061 -43.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 27.455 16.092 -43.971 1.00 0.00 H new ATOM 843 N ASP A 52 28.304 10.402 -48.219 1.00 0.00 N ATOM 844 CA ASP A 52 29.651 10.225 -48.750 1.00 0.00 C ATOM 845 C ASP A 52 29.613 9.977 -50.255 1.00 0.00 C ATOM 846 O ASP A 52 30.440 10.499 -51.002 1.00 0.00 O ATOM 847 CB ASP A 52 30.351 9.062 -48.046 1.00 0.00 C ATOM 848 CG ASP A 52 30.878 9.446 -46.677 1.00 0.00 C ATOM 849 OD1 ASP A 52 31.322 10.601 -46.516 1.00 0.00 O ATOM 850 OD2 ASP A 52 30.846 8.590 -45.768 1.00 0.00 O ATOM 0 H ASP A 52 28.010 9.676 -47.565 1.00 0.00 H new ATOM 0 HA ASP A 52 30.212 11.141 -48.565 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.654 8.231 -47.943 1.00 0.00 H new ATOM 0 HB3 ASP A 52 31.177 8.711 -48.665 1.00 0.00 H new ATOM 855 N LYS A 53 28.647 9.176 -50.693 1.00 0.00 N ATOM 856 CA LYS A 53 28.500 8.858 -52.108 1.00 0.00 C ATOM 857 C LYS A 53 28.035 10.079 -52.895 1.00 0.00 C ATOM 858 O LYS A 53 28.545 10.362 -53.978 1.00 0.00 O ATOM 859 CB LYS A 53 27.505 7.710 -52.293 1.00 0.00 C ATOM 860 CG LYS A 53 28.127 6.334 -52.130 1.00 0.00 C ATOM 861 CD LYS A 53 28.717 5.831 -53.437 1.00 0.00 C ATOM 862 CE LYS A 53 29.456 4.515 -53.245 1.00 0.00 C ATOM 863 NZ LYS A 53 30.182 4.101 -54.478 1.00 0.00 N ATOM 0 H LYS A 53 27.954 8.735 -50.088 1.00 0.00 H new ATOM 0 HA LYS A 53 29.474 8.552 -52.489 1.00 0.00 H new ATOM 0 HB2 LYS A 53 26.696 7.822 -51.571 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.059 7.783 -53.285 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.907 6.374 -51.369 1.00 0.00 H new ATOM 0 HG3 LYS A 53 27.372 5.632 -51.776 1.00 0.00 H new ATOM 0 HD2 LYS A 53 27.921 5.699 -54.170 1.00 0.00 H new ATOM 0 HD3 LYS A 53 29.401 6.578 -53.840 1.00 0.00 H new ATOM 0 HE2 LYS A 53 30.164 4.613 -52.422 1.00 0.00 H new ATOM 0 HE3 LYS A 53 28.746 3.738 -52.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 30.672 3.200 -54.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 29.503 3.983 -55.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 30.878 4.831 -54.733 1.00 0.00 H new ATOM 877 N GLU A 54 27.065 10.800 -52.341 1.00 0.00 N ATOM 878 CA GLU A 54 26.532 11.991 -52.992 1.00 0.00 C ATOM 879 C GLU A 54 27.568 13.113 -53.005 1.00 0.00 C ATOM 880 O GLU A 54 27.659 13.878 -53.966 1.00 0.00 O ATOM 881 CB GLU A 54 25.262 12.463 -52.282 1.00 0.00 C ATOM 882 CG GLU A 54 24.436 13.442 -53.099 1.00 0.00 C ATOM 883 CD GLU A 54 23.145 12.831 -53.611 1.00 0.00 C ATOM 884 OE1 GLU A 54 23.152 11.630 -53.951 1.00 0.00 O ATOM 885 OE2 GLU A 54 22.129 13.554 -53.671 1.00 0.00 O ATOM 0 H GLU A 54 26.633 10.580 -51.444 1.00 0.00 H new ATOM 0 HA GLU A 54 26.288 11.732 -54.022 1.00 0.00 H new ATOM 0 HB2 GLU A 54 24.648 11.596 -52.040 1.00 0.00 H new ATOM 0 HB3 GLU A 54 25.537 12.932 -51.337 1.00 0.00 H new ATOM 0 HG2 GLU A 54 24.204 14.314 -52.488 1.00 0.00 H new ATOM 0 HG3 GLU A 54 25.027 13.794 -53.944 1.00 0.00 H new ATOM 892 N LEU A 55 28.345 13.205 -51.932 1.00 0.00 N ATOM 893 CA LEU A 55 29.374 14.232 -51.818 1.00 0.00 C ATOM 894 C LEU A 55 30.550 13.929 -52.740 1.00 0.00 C ATOM 895 O LEU A 55 31.115 14.830 -53.360 1.00 0.00 O ATOM 896 CB LEU A 55 29.859 14.338 -50.371 1.00 0.00 C ATOM 897 CG LEU A 55 31.146 15.134 -50.151 1.00 0.00 C ATOM 898 CD1 LEU A 55 30.972 16.570 -50.622 1.00 0.00 C ATOM 899 CD2 LEU A 55 31.552 15.097 -48.685 1.00 0.00 C ATOM 0 H LEU A 55 28.282 12.580 -51.128 1.00 0.00 H new ATOM 0 HA LEU A 55 28.937 15.184 -52.118 1.00 0.00 H new ATOM 0 HB2 LEU A 55 29.067 14.794 -49.776 1.00 0.00 H new ATOM 0 HB3 LEU A 55 30.008 13.330 -49.984 1.00 0.00 H new ATOM 0 HG LEU A 55 31.940 14.674 -50.739 1.00 0.00 H new ATOM 0 HD11 LEU A 55 31.898 17.122 -50.458 1.00 0.00 H new ATOM 0 HD12 LEU A 55 30.729 16.577 -51.685 1.00 0.00 H new ATOM 0 HD13 LEU A 55 30.165 17.041 -50.062 1.00 0.00 H new ATOM 0 HD21 LEU A 55 32.470 15.669 -48.547 1.00 0.00 H new ATOM 0 HD22 LEU A 55 30.759 15.532 -48.077 1.00 0.00 H new ATOM 0 HD23 LEU A 55 31.719 14.064 -48.380 1.00 0.00 H new ATOM 911 N LYS A 56 30.914 12.654 -52.828 1.00 0.00 N ATOM 912 CA LYS A 56 32.021 12.230 -53.677 1.00 0.00 C ATOM 913 C LYS A 56 31.797 12.667 -55.121 1.00 0.00 C ATOM 914 O LYS A 56 32.745 12.996 -55.833 1.00 0.00 O ATOM 915 CB LYS A 56 32.186 10.710 -53.613 1.00 0.00 C ATOM 916 CG LYS A 56 33.505 10.218 -54.182 1.00 0.00 C ATOM 917 CD LYS A 56 34.615 10.274 -53.145 1.00 0.00 C ATOM 918 CE LYS A 56 34.856 8.912 -52.512 1.00 0.00 C ATOM 919 NZ LYS A 56 35.897 8.137 -53.241 1.00 0.00 N ATOM 0 H LYS A 56 30.458 11.896 -52.321 1.00 0.00 H new ATOM 0 HA LYS A 56 32.931 12.704 -53.309 1.00 0.00 H new ATOM 0 HB2 LYS A 56 32.105 10.387 -52.575 1.00 0.00 H new ATOM 0 HB3 LYS A 56 31.367 10.241 -54.158 1.00 0.00 H new ATOM 0 HG2 LYS A 56 33.390 9.194 -54.538 1.00 0.00 H new ATOM 0 HG3 LYS A 56 33.780 10.826 -55.044 1.00 0.00 H new ATOM 0 HD2 LYS A 56 35.534 10.627 -53.613 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.355 10.995 -52.370 1.00 0.00 H new ATOM 0 HE2 LYS A 56 35.162 9.043 -51.474 1.00 0.00 H new ATOM 0 HE3 LYS A 56 33.924 8.347 -52.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 36.031 7.215 -52.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 35.594 7.989 -54.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 36.794 8.664 -53.230 1.00 0.00 H new ATOM 933 N GLU A 57 30.537 12.670 -55.545 1.00 0.00 N ATOM 934 CA GLU A 57 30.191 13.068 -56.905 1.00 0.00 C ATOM 935 C GLU A 57 30.958 12.235 -57.928 1.00 0.00 C ATOM 936 O GLU A 57 31.529 12.770 -58.878 1.00 0.00 O ATOM 937 CB GLU A 57 30.487 14.554 -57.116 1.00 0.00 C ATOM 938 CG GLU A 57 29.564 15.222 -58.121 1.00 0.00 C ATOM 939 CD GLU A 57 29.282 16.673 -57.781 1.00 0.00 C ATOM 940 OE1 GLU A 57 30.252 17.434 -57.581 1.00 0.00 O ATOM 941 OE2 GLU A 57 28.093 17.047 -57.714 1.00 0.00 O ATOM 0 H GLU A 57 29.740 12.402 -54.968 1.00 0.00 H new ATOM 0 HA GLU A 57 29.124 12.894 -57.047 1.00 0.00 H new ATOM 0 HB2 GLU A 57 30.405 15.071 -56.160 1.00 0.00 H new ATOM 0 HB3 GLU A 57 31.518 14.666 -57.452 1.00 0.00 H new ATOM 0 HG2 GLU A 57 30.012 15.166 -59.113 1.00 0.00 H new ATOM 0 HG3 GLU A 57 28.623 14.674 -58.165 1.00 0.00 H new ATOM 948 N PHE A 58 30.966 10.922 -57.725 1.00 0.00 N ATOM 949 CA PHE A 58 31.664 10.014 -58.628 1.00 0.00 C ATOM 950 C PHE A 58 31.185 10.200 -60.065 1.00 0.00 C ATOM 951 O PHE A 58 31.922 9.937 -61.015 1.00 0.00 O ATOM 952 CB PHE A 58 31.450 8.563 -58.192 1.00 0.00 C ATOM 953 CG PHE A 58 30.003 8.179 -58.074 1.00 0.00 C ATOM 954 CD1 PHE A 58 29.265 7.853 -59.200 1.00 0.00 C ATOM 955 CD2 PHE A 58 29.381 8.145 -56.836 1.00 0.00 C ATOM 956 CE1 PHE A 58 27.933 7.500 -59.093 1.00 0.00 C ATOM 957 CE2 PHE A 58 28.049 7.793 -56.724 1.00 0.00 C ATOM 958 CZ PHE A 58 27.324 7.469 -57.854 1.00 0.00 C ATOM 0 H PHE A 58 30.497 10.463 -56.944 1.00 0.00 H new ATOM 0 HA PHE A 58 32.728 10.247 -58.585 1.00 0.00 H new ATOM 0 HB2 PHE A 58 31.936 7.901 -58.909 1.00 0.00 H new ATOM 0 HB3 PHE A 58 31.939 8.405 -57.231 1.00 0.00 H new ATOM 0 HD1 PHE A 58 29.735 7.875 -60.172 1.00 0.00 H new ATOM 0 HD2 PHE A 58 29.943 8.396 -55.949 1.00 0.00 H new ATOM 0 HE1 PHE A 58 27.368 7.248 -59.979 1.00 0.00 H new ATOM 0 HE2 PHE A 58 27.576 7.771 -55.754 1.00 0.00 H new ATOM 0 HZ PHE A 58 26.284 7.192 -57.769 1.00 0.00 H new ATOM 968 N GLU A 59 29.945 10.656 -60.214 1.00 0.00 N ATOM 969 CA GLU A 59 29.366 10.876 -61.535 1.00 0.00 C ATOM 970 C GLU A 59 30.274 11.759 -62.386 1.00 0.00 C ATOM 971 O GLU A 59 30.327 11.618 -63.608 1.00 0.00 O ATOM 972 CB GLU A 59 27.983 11.519 -61.409 1.00 0.00 C ATOM 973 CG GLU A 59 26.909 10.561 -60.924 1.00 0.00 C ATOM 974 CD GLU A 59 25.965 10.133 -62.030 1.00 0.00 C ATOM 975 OE1 GLU A 59 26.418 9.426 -62.955 1.00 0.00 O ATOM 976 OE2 GLU A 59 24.774 10.505 -61.973 1.00 0.00 O ATOM 0 H GLU A 59 29.323 10.880 -59.438 1.00 0.00 H new ATOM 0 HA GLU A 59 29.265 9.908 -62.026 1.00 0.00 H new ATOM 0 HB2 GLU A 59 28.045 12.361 -60.720 1.00 0.00 H new ATOM 0 HB3 GLU A 59 27.689 11.921 -62.379 1.00 0.00 H new ATOM 0 HG2 GLU A 59 27.382 9.678 -60.494 1.00 0.00 H new ATOM 0 HG3 GLU A 59 26.337 11.036 -60.127 1.00 0.00 H new ATOM 983 N CYS A 60 30.986 12.670 -61.731 1.00 0.00 N ATOM 984 CA CYS A 60 31.892 13.578 -62.427 1.00 0.00 C ATOM 985 C CYS A 60 31.125 14.474 -63.394 1.00 0.00 C ATOM 986 O CYS A 60 30.097 15.050 -63.040 1.00 0.00 O ATOM 987 CB CYS A 60 32.959 12.786 -63.184 1.00 0.00 C ATOM 988 SG CYS A 60 34.618 12.919 -62.476 1.00 0.00 S ATOM 0 H CYS A 60 30.954 12.800 -60.720 1.00 0.00 H new ATOM 0 HA CYS A 60 32.378 14.209 -61.683 1.00 0.00 H new ATOM 0 HB2 CYS A 60 32.669 11.736 -63.207 1.00 0.00 H new ATOM 0 HB3 CYS A 60 32.988 13.131 -64.217 1.00 0.00 H new ATOM 0 HG CYS A 60 35.450 12.214 -63.184 1.00 0.00 H new TER 994 CYS A 60