USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 451 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 18 GLN : amide:sc= 0 X(o=0,f=0.26) USER MOD Set 1.2: A 36 TYR OH : rot 165:sc= 0 USER MOD Set 2.1: A 9 ASN : amide:sc= 0.0795 K(o=0.18,f=-1.7!) USER MOD Set 2.2: A 59 ASN : amide:sc= 0.102 K(o=0.18,f=-3.6!) USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.0894) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.0507 (180deg=-0.395) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.17) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 95:sc= 0.587 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.4 USER MOD Single : A 28 GLN : amide:sc= 0.0618 K(o=0.062,f=-4.6!) USER MOD Single : A 30 THR OG1 : rot 93:sc= 1.29 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -136:sc= 2.14 (180deg=-0.0855) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.767 K(o=0.77,f=-0.68) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0314 USER MOD Single : A 61 GLN : amide:sc= -0.308 K(o=-0.31,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.244 4.620 -2.520 1.00 0.00 N ATOM 2 CA MET A 1 -26.964 3.924 -2.332 1.00 0.00 C ATOM 3 C MET A 1 -25.884 4.971 -2.132 1.00 0.00 C ATOM 4 O MET A 1 -25.858 5.967 -2.855 1.00 0.00 O ATOM 5 CB MET A 1 -26.629 3.033 -3.533 1.00 0.00 C ATOM 6 CG MET A 1 -27.608 1.859 -3.658 1.00 0.00 C ATOM 7 SD MET A 1 -27.501 0.942 -5.217 1.00 0.00 S ATOM 8 CE MET A 1 -28.236 2.138 -6.370 1.00 0.00 C ATOM 0 H1 MET A 1 -29.027 3.970 -2.306 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.290 5.440 -1.882 1.00 0.00 H new ATOM 0 H3 MET A 1 -28.322 4.944 -3.505 1.00 0.00 H new ATOM 0 HA MET A 1 -27.030 3.273 -1.460 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.655 3.628 -4.446 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.613 2.651 -3.431 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.432 1.168 -2.834 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.624 2.238 -3.545 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.405 1.658 -7.334 1.00 0.00 H new ATOM 0 HE2 MET A 1 -29.186 2.493 -5.970 1.00 0.00 H new ATOM 0 HE3 MET A 1 -27.559 2.982 -6.499 1.00 0.00 H new ATOM 18 N GLU A 2 -25.035 4.789 -1.130 1.00 0.00 N ATOM 19 CA GLU A 2 -23.944 5.683 -0.805 1.00 0.00 C ATOM 20 C GLU A 2 -22.812 4.767 -0.381 1.00 0.00 C ATOM 21 O GLU A 2 -22.815 4.206 0.716 1.00 0.00 O ATOM 22 CB GLU A 2 -24.336 6.719 0.271 1.00 0.00 C ATOM 23 CG GLU A 2 -24.068 8.161 -0.176 1.00 0.00 C ATOM 24 CD GLU A 2 -22.607 8.430 -0.542 1.00 0.00 C ATOM 25 OE1 GLU A 2 -22.239 8.175 -1.710 1.00 0.00 O ATOM 26 OE2 GLU A 2 -21.842 8.957 0.301 1.00 0.00 O ATOM 0 H GLU A 2 -25.093 3.987 -0.503 1.00 0.00 H new ATOM 0 HA GLU A 2 -23.650 6.303 -1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -25.394 6.607 0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -23.779 6.516 1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -24.697 8.388 -1.037 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -24.364 8.841 0.623 1.00 0.00 H new ATOM 33 N GLU A 3 -21.941 4.496 -1.340 1.00 0.00 N ATOM 34 CA GLU A 3 -20.773 3.654 -1.186 1.00 0.00 C ATOM 35 C GLU A 3 -19.621 4.554 -0.739 1.00 0.00 C ATOM 36 O GLU A 3 -19.835 5.727 -0.417 1.00 0.00 O ATOM 37 CB GLU A 3 -20.540 2.919 -2.513 1.00 0.00 C ATOM 38 CG GLU A 3 -21.754 2.080 -2.948 1.00 0.00 C ATOM 39 CD GLU A 3 -22.220 1.111 -1.860 1.00 0.00 C ATOM 40 OE1 GLU A 3 -21.581 0.046 -1.699 1.00 0.00 O ATOM 41 OE2 GLU A 3 -23.204 1.418 -1.148 1.00 0.00 O ATOM 0 H GLU A 3 -22.035 4.873 -2.283 1.00 0.00 H new ATOM 0 HA GLU A 3 -20.884 2.880 -0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -20.309 3.647 -3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -19.670 2.269 -2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -22.575 2.746 -3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -21.499 1.517 -3.846 1.00 0.00 H new ATOM 48 N VAL A 4 -18.407 4.023 -0.645 1.00 0.00 N ATOM 49 CA VAL A 4 -17.248 4.805 -0.222 1.00 0.00 C ATOM 50 C VAL A 4 -16.135 4.681 -1.252 1.00 0.00 C ATOM 51 O VAL A 4 -16.182 3.807 -2.122 1.00 0.00 O ATOM 52 CB VAL A 4 -16.850 4.444 1.223 1.00 0.00 C ATOM 53 CG1 VAL A 4 -17.927 4.980 2.183 1.00 0.00 C ATOM 54 CG2 VAL A 4 -16.641 2.937 1.443 1.00 0.00 C ATOM 0 H VAL A 4 -18.198 3.048 -0.857 1.00 0.00 H new ATOM 0 HA VAL A 4 -17.493 5.867 -0.186 1.00 0.00 H new ATOM 0 HB VAL A 4 -15.886 4.911 1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -17.656 4.731 3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -18.000 6.063 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -18.888 4.527 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -16.363 2.756 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -17.565 2.405 1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -15.847 2.580 0.787 1.00 0.00 H new ATOM 64 N THR A 5 -15.142 5.559 -1.139 1.00 0.00 N ATOM 65 CA THR A 5 -13.999 5.627 -2.031 1.00 0.00 C ATOM 66 C THR A 5 -12.779 5.615 -1.110 1.00 0.00 C ATOM 67 O THR A 5 -12.425 6.635 -0.516 1.00 0.00 O ATOM 68 CB THR A 5 -14.148 6.863 -2.951 1.00 0.00 C ATOM 69 OG1 THR A 5 -15.489 6.962 -3.414 1.00 0.00 O ATOM 70 CG2 THR A 5 -13.240 6.834 -4.178 1.00 0.00 C ATOM 0 H THR A 5 -15.114 6.262 -0.400 1.00 0.00 H new ATOM 0 HA THR A 5 -13.903 4.795 -2.728 1.00 0.00 H new ATOM 0 HB THR A 5 -13.860 7.718 -2.339 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.578 7.747 -3.994 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.403 7.733 -4.772 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.199 6.793 -3.859 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.470 5.955 -4.780 1.00 0.00 H new ATOM 78 N ILE A 6 -12.183 4.438 -0.911 1.00 0.00 N ATOM 79 CA ILE A 6 -11.026 4.275 -0.034 1.00 0.00 C ATOM 80 C ILE A 6 -9.779 4.486 -0.888 1.00 0.00 C ATOM 81 O ILE A 6 -9.585 3.788 -1.890 1.00 0.00 O ATOM 82 CB ILE A 6 -11.054 2.910 0.688 1.00 0.00 C ATOM 83 CG1 ILE A 6 -12.375 2.727 1.474 1.00 0.00 C ATOM 84 CG2 ILE A 6 -9.828 2.793 1.615 1.00 0.00 C ATOM 85 CD1 ILE A 6 -12.423 1.479 2.363 1.00 0.00 C ATOM 0 H ILE A 6 -12.490 3.572 -1.354 1.00 0.00 H new ATOM 0 HA ILE A 6 -11.034 5.011 0.770 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.008 2.113 -0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.536 3.607 2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.201 2.683 0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.848 1.830 2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.916 2.872 1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.852 3.595 2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -13.384 1.433 2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.297 0.589 1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.622 1.527 3.100 1.00 0.00 H new ATOM 97 N LYS A 7 -8.970 5.496 -0.564 1.00 0.00 N ATOM 98 CA LYS A 7 -7.766 5.799 -1.328 1.00 0.00 C ATOM 99 C LYS A 7 -6.622 5.032 -0.703 1.00 0.00 C ATOM 100 O LYS A 7 -6.413 5.122 0.508 1.00 0.00 O ATOM 101 CB LYS A 7 -7.471 7.304 -1.298 1.00 0.00 C ATOM 102 CG LYS A 7 -6.408 7.691 -2.340 1.00 0.00 C ATOM 103 CD LYS A 7 -5.858 9.111 -2.197 1.00 0.00 C ATOM 104 CE LYS A 7 -6.906 10.192 -1.906 1.00 0.00 C ATOM 105 NZ LYS A 7 -7.822 10.446 -3.032 1.00 0.00 N ATOM 0 H LYS A 7 -9.131 6.119 0.227 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.900 5.509 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.389 7.860 -1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.128 7.589 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.579 6.987 -2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.838 7.581 -3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.120 9.118 -1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.333 9.374 -3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.489 9.895 -1.034 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.396 11.120 -1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.601 11.057 -2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.304 10.917 -3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.208 9.544 -3.376 1.00 0.00 H new ATOM 119 N ALA A 8 -5.914 4.258 -1.512 1.00 0.00 N ATOM 120 CA ALA A 8 -4.780 3.478 -1.079 1.00 0.00 C ATOM 121 C ALA A 8 -3.539 4.151 -1.647 1.00 0.00 C ATOM 122 O ALA A 8 -3.325 4.198 -2.860 1.00 0.00 O ATOM 123 CB ALA A 8 -4.935 2.028 -1.515 1.00 0.00 C ATOM 0 H ALA A 8 -6.121 4.157 -2.506 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.698 3.444 0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.071 1.453 -1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.841 1.611 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.004 1.980 -2.602 1.00 0.00 H new ATOM 129 N ASN A 9 -2.752 4.724 -0.750 1.00 0.00 N ATOM 130 CA ASN A 9 -1.510 5.418 -1.031 1.00 0.00 C ATOM 131 C ASN A 9 -0.448 4.340 -0.916 1.00 0.00 C ATOM 132 O ASN A 9 -0.335 3.734 0.152 1.00 0.00 O ATOM 133 CB ASN A 9 -1.295 6.535 0.002 1.00 0.00 C ATOM 134 CG ASN A 9 -2.457 7.521 0.005 1.00 0.00 C ATOM 135 OD1 ASN A 9 -2.689 8.214 -0.979 1.00 0.00 O ATOM 136 ND2 ASN A 9 -3.235 7.577 1.071 1.00 0.00 N ATOM 0 H ASN A 9 -2.976 4.716 0.245 1.00 0.00 H new ATOM 0 HA ASN A 9 -1.493 5.898 -2.010 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.184 6.098 0.994 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -0.368 7.064 -0.219 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.041 8.203 1.082 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.030 6.995 1.883 1.00 0.00 H new ATOM 143 N LEU A 10 0.306 4.055 -1.978 1.00 0.00 N ATOM 144 CA LEU A 10 1.330 3.017 -1.955 1.00 0.00 C ATOM 145 C LEU A 10 2.712 3.653 -2.078 1.00 0.00 C ATOM 146 O LEU A 10 3.033 4.352 -3.048 1.00 0.00 O ATOM 147 CB LEU A 10 1.061 1.963 -3.030 1.00 0.00 C ATOM 148 CG LEU A 10 -0.280 1.216 -2.871 1.00 0.00 C ATOM 149 CD1 LEU A 10 -1.216 1.543 -4.039 1.00 0.00 C ATOM 150 CD2 LEU A 10 -0.053 -0.298 -2.783 1.00 0.00 C ATOM 0 H LEU A 10 0.223 4.536 -2.873 1.00 0.00 H new ATOM 0 HA LEU A 10 1.297 2.492 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.080 2.446 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.872 1.235 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.746 1.549 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.157 1.008 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.408 2.616 -4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.749 1.238 -4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.012 -0.804 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.437 -0.646 -3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.578 -0.522 -1.923 1.00 0.00 H new ATOM 162 N ILE A 11 3.558 3.361 -1.101 1.00 0.00 N ATOM 163 CA ILE A 11 4.918 3.839 -0.933 1.00 0.00 C ATOM 164 C ILE A 11 5.869 2.675 -1.229 1.00 0.00 C ATOM 165 O ILE A 11 5.836 1.657 -0.534 1.00 0.00 O ATOM 166 CB ILE A 11 5.019 4.395 0.510 1.00 0.00 C ATOM 167 CG1 ILE A 11 3.999 5.535 0.777 1.00 0.00 C ATOM 168 CG2 ILE A 11 6.423 4.921 0.824 1.00 0.00 C ATOM 169 CD1 ILE A 11 2.703 5.063 1.455 1.00 0.00 C ATOM 0 H ILE A 11 3.286 2.732 -0.345 1.00 0.00 H new ATOM 0 HA ILE A 11 5.194 4.642 -1.617 1.00 0.00 H new ATOM 0 HB ILE A 11 4.791 3.551 1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.471 6.292 1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.749 6.015 -0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.449 5.301 1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.146 4.112 0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.674 5.724 0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.041 5.915 1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.207 4.328 0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.940 4.610 2.418 1.00 0.00 H new ATOM 181 N PHE A 12 6.649 2.770 -2.310 1.00 0.00 N ATOM 182 CA PHE A 12 7.598 1.724 -2.683 1.00 0.00 C ATOM 183 C PHE A 12 8.931 1.929 -1.964 1.00 0.00 C ATOM 184 O PHE A 12 9.290 3.049 -1.579 1.00 0.00 O ATOM 185 CB PHE A 12 7.836 1.731 -4.201 1.00 0.00 C ATOM 186 CG PHE A 12 6.692 1.214 -5.053 1.00 0.00 C ATOM 187 CD1 PHE A 12 6.174 -0.077 -4.841 1.00 0.00 C ATOM 188 CD2 PHE A 12 6.200 1.986 -6.120 1.00 0.00 C ATOM 189 CE1 PHE A 12 5.192 -0.602 -5.700 1.00 0.00 C ATOM 190 CE2 PHE A 12 5.226 1.460 -6.984 1.00 0.00 C ATOM 191 CZ PHE A 12 4.733 0.159 -6.787 1.00 0.00 C ATOM 0 H PHE A 12 6.639 3.568 -2.945 1.00 0.00 H new ATOM 0 HA PHE A 12 7.174 0.764 -2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.061 2.752 -4.509 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.721 1.132 -4.413 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.533 -0.669 -4.012 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.573 2.988 -6.276 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.791 -1.589 -5.524 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.854 2.058 -7.803 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.004 -0.254 -7.469 1.00 0.00 H new ATOM 201 N ALA A 13 9.699 0.849 -1.828 1.00 0.00 N ATOM 202 CA ALA A 13 11.009 0.868 -1.187 1.00 0.00 C ATOM 203 C ALA A 13 12.057 1.551 -2.074 1.00 0.00 C ATOM 204 O ALA A 13 13.142 1.879 -1.597 1.00 0.00 O ATOM 205 CB ALA A 13 11.463 -0.563 -0.920 1.00 0.00 C ATOM 0 H ALA A 13 9.424 -0.074 -2.164 1.00 0.00 H new ATOM 0 HA ALA A 13 10.917 1.427 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.442 -0.551 -0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.745 -1.056 -0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.527 -1.106 -1.863 1.00 0.00 H new ATOM 211 N ASN A 14 11.742 1.750 -3.358 1.00 0.00 N ATOM 212 CA ASN A 14 12.591 2.384 -4.365 1.00 0.00 C ATOM 213 C ASN A 14 12.335 3.896 -4.441 1.00 0.00 C ATOM 214 O ASN A 14 12.809 4.555 -5.366 1.00 0.00 O ATOM 215 CB ASN A 14 12.336 1.759 -5.746 1.00 0.00 C ATOM 216 CG ASN A 14 12.403 0.240 -5.752 1.00 0.00 C ATOM 217 OD1 ASN A 14 11.386 -0.420 -5.569 1.00 0.00 O ATOM 218 ND2 ASN A 14 13.568 -0.354 -5.942 1.00 0.00 N ATOM 0 H ASN A 14 10.842 1.458 -3.740 1.00 0.00 H new ATOM 0 HA ASN A 14 13.628 2.220 -4.071 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.354 2.072 -6.101 1.00 0.00 H new ATOM 0 HB3 ASN A 14 13.069 2.149 -6.452 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.628 -1.372 -5.937 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.407 0.206 -6.093 1.00 0.00 H new ATOM 225 N GLY A 15 11.529 4.453 -3.531 1.00 0.00 N ATOM 226 CA GLY A 15 11.202 5.872 -3.481 1.00 0.00 C ATOM 227 C GLY A 15 9.992 6.254 -4.336 1.00 0.00 C ATOM 228 O GLY A 15 9.373 7.289 -4.078 1.00 0.00 O ATOM 0 H GLY A 15 11.078 3.912 -2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.009 6.155 -2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.066 6.447 -3.813 1.00 0.00 H new ATOM 232 N SER A 16 9.607 5.452 -5.328 1.00 0.00 N ATOM 233 CA SER A 16 8.461 5.719 -6.190 1.00 0.00 C ATOM 234 C SER A 16 7.155 5.697 -5.364 1.00 0.00 C ATOM 235 O SER A 16 7.122 5.192 -4.233 1.00 0.00 O ATOM 236 CB SER A 16 8.483 4.721 -7.364 1.00 0.00 C ATOM 237 OG SER A 16 9.004 3.458 -6.978 1.00 0.00 O ATOM 0 H SER A 16 10.092 4.585 -5.557 1.00 0.00 H new ATOM 0 HA SER A 16 8.514 6.719 -6.620 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.472 4.593 -7.750 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.085 5.129 -8.176 1.00 0.00 H new ATOM 0 HG SER A 16 8.266 2.857 -6.743 1.00 0.00 H new ATOM 243 N THR A 17 6.075 6.274 -5.895 1.00 0.00 N ATOM 244 CA THR A 17 4.772 6.335 -5.236 1.00 0.00 C ATOM 245 C THR A 17 3.666 6.203 -6.271 1.00 0.00 C ATOM 246 O THR A 17 3.658 6.922 -7.272 1.00 0.00 O ATOM 247 CB THR A 17 4.574 7.639 -4.445 1.00 0.00 C ATOM 248 OG1 THR A 17 5.185 8.752 -5.072 1.00 0.00 O ATOM 249 CG2 THR A 17 5.157 7.558 -3.037 1.00 0.00 C ATOM 0 H THR A 17 6.083 6.720 -6.812 1.00 0.00 H new ATOM 0 HA THR A 17 4.731 5.508 -4.527 1.00 0.00 H new ATOM 0 HB THR A 17 3.493 7.771 -4.405 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.031 9.556 -4.534 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.992 8.503 -2.520 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.669 6.753 -2.487 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.227 7.360 -3.097 1.00 0.00 H new ATOM 257 N GLN A 18 2.734 5.295 -6.017 1.00 0.00 N ATOM 258 CA GLN A 18 1.593 5.005 -6.860 1.00 0.00 C ATOM 259 C GLN A 18 0.374 5.103 -5.951 1.00 0.00 C ATOM 260 O GLN A 18 0.445 4.746 -4.774 1.00 0.00 O ATOM 261 CB GLN A 18 1.807 3.614 -7.464 1.00 0.00 C ATOM 262 CG GLN A 18 0.798 3.201 -8.541 1.00 0.00 C ATOM 263 CD GLN A 18 1.275 1.916 -9.211 1.00 0.00 C ATOM 264 OE1 GLN A 18 1.674 1.905 -10.377 1.00 0.00 O ATOM 265 NE2 GLN A 18 1.360 0.821 -8.478 1.00 0.00 N ATOM 0 H GLN A 18 2.758 4.716 -5.177 1.00 0.00 H new ATOM 0 HA GLN A 18 1.457 5.691 -7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.808 3.573 -7.894 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.775 2.879 -6.660 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -0.185 3.049 -8.096 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.694 3.994 -9.282 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.031 0.827 -7.513 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.755 -0.031 -8.877 1.00 0.00 H new ATOM 274 N THR A 19 -0.742 5.578 -6.477 1.00 0.00 N ATOM 275 CA THR A 19 -1.975 5.746 -5.731 1.00 0.00 C ATOM 276 C THR A 19 -3.052 4.952 -6.456 1.00 0.00 C ATOM 277 O THR A 19 -3.108 4.955 -7.690 1.00 0.00 O ATOM 278 CB THR A 19 -2.317 7.245 -5.643 1.00 0.00 C ATOM 279 OG1 THR A 19 -1.152 8.042 -5.484 1.00 0.00 O ATOM 280 CG2 THR A 19 -3.279 7.555 -4.495 1.00 0.00 C ATOM 0 H THR A 19 -0.817 5.863 -7.454 1.00 0.00 H new ATOM 0 HA THR A 19 -1.887 5.378 -4.709 1.00 0.00 H new ATOM 0 HB THR A 19 -2.802 7.491 -6.588 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.407 8.987 -5.434 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.489 8.624 -4.475 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.209 7.005 -4.641 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.826 7.257 -3.550 1.00 0.00 H new ATOM 288 N ALA A 20 -3.892 4.253 -5.705 1.00 0.00 N ATOM 289 CA ALA A 20 -4.987 3.453 -6.219 1.00 0.00 C ATOM 290 C ALA A 20 -6.252 3.944 -5.526 1.00 0.00 C ATOM 291 O ALA A 20 -6.212 4.361 -4.362 1.00 0.00 O ATOM 292 CB ALA A 20 -4.701 1.969 -5.984 1.00 0.00 C ATOM 0 H ALA A 20 -3.825 4.229 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.112 3.561 -7.296 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.527 1.373 -6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.780 1.690 -6.497 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.591 1.784 -4.915 1.00 0.00 H new ATOM 298 N GLU A 21 -7.374 3.927 -6.240 1.00 0.00 N ATOM 299 CA GLU A 21 -8.656 4.372 -5.720 1.00 0.00 C ATOM 300 C GLU A 21 -9.668 3.280 -6.014 1.00 0.00 C ATOM 301 O GLU A 21 -9.888 2.928 -7.176 1.00 0.00 O ATOM 302 CB GLU A 21 -9.071 5.729 -6.320 1.00 0.00 C ATOM 303 CG GLU A 21 -8.202 6.840 -5.716 1.00 0.00 C ATOM 304 CD GLU A 21 -8.888 8.204 -5.636 1.00 0.00 C ATOM 305 OE1 GLU A 21 -8.993 8.913 -6.668 1.00 0.00 O ATOM 306 OE2 GLU A 21 -9.234 8.640 -4.515 1.00 0.00 O ATOM 0 H GLU A 21 -7.415 3.600 -7.205 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.594 4.538 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.956 5.711 -7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.124 5.923 -6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.896 6.541 -4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.294 6.938 -6.310 1.00 0.00 H new ATOM 313 N PHE A 22 -10.259 2.722 -4.963 1.00 0.00 N ATOM 314 CA PHE A 22 -11.251 1.665 -5.006 1.00 0.00 C ATOM 315 C PHE A 22 -12.567 2.237 -4.494 1.00 0.00 C ATOM 316 O PHE A 22 -12.566 3.024 -3.540 1.00 0.00 O ATOM 317 CB PHE A 22 -10.759 0.494 -4.150 1.00 0.00 C ATOM 318 CG PHE A 22 -9.374 0.015 -4.540 1.00 0.00 C ATOM 319 CD1 PHE A 22 -9.209 -0.817 -5.660 1.00 0.00 C ATOM 320 CD2 PHE A 22 -8.242 0.447 -3.820 1.00 0.00 C ATOM 321 CE1 PHE A 22 -7.928 -1.249 -6.037 1.00 0.00 C ATOM 322 CE2 PHE A 22 -6.960 0.026 -4.212 1.00 0.00 C ATOM 323 CZ PHE A 22 -6.802 -0.832 -5.312 1.00 0.00 C ATOM 0 H PHE A 22 -10.044 3.014 -4.010 1.00 0.00 H new ATOM 0 HA PHE A 22 -11.406 1.293 -6.019 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -10.752 0.795 -3.102 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.462 -0.334 -4.239 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -10.071 -1.125 -6.233 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.360 1.101 -2.968 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.809 -1.904 -6.887 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.092 0.364 -3.665 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.817 -1.170 -5.599 1.00 0.00 H new ATOM 333 N GLN A 23 -13.670 1.852 -5.128 1.00 0.00 N ATOM 334 CA GLN A 23 -15.028 2.266 -4.809 1.00 0.00 C ATOM 335 C GLN A 23 -15.869 1.018 -4.569 1.00 0.00 C ATOM 336 O GLN A 23 -15.618 -0.022 -5.190 1.00 0.00 O ATOM 337 CB GLN A 23 -15.627 3.062 -5.977 1.00 0.00 C ATOM 338 CG GLN A 23 -14.971 4.428 -6.176 1.00 0.00 C ATOM 339 CD GLN A 23 -15.391 5.094 -7.484 1.00 0.00 C ATOM 340 OE1 GLN A 23 -16.554 5.074 -7.879 1.00 0.00 O ATOM 341 NE2 GLN A 23 -14.462 5.702 -8.199 1.00 0.00 N ATOM 0 H GLN A 23 -13.637 1.209 -5.919 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.019 2.898 -3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.526 2.481 -6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -16.694 3.201 -5.804 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.232 5.078 -5.341 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.887 4.312 -6.163 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -13.496 5.719 -7.872 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -14.710 6.155 -9.079 1.00 0.00 H new ATOM 350 N GLY A 24 -16.908 1.136 -3.747 1.00 0.00 N ATOM 351 CA GLY A 24 -17.800 0.037 -3.416 1.00 0.00 C ATOM 352 C GLY A 24 -18.020 -0.007 -1.915 1.00 0.00 C ATOM 353 O GLY A 24 -17.944 1.030 -1.245 1.00 0.00 O ATOM 0 H GLY A 24 -17.155 2.012 -3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -18.753 0.162 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.374 -0.906 -3.759 1.00 0.00 H new ATOM 357 N THR A 25 -18.358 -1.188 -1.397 1.00 0.00 N ATOM 358 CA THR A 25 -18.578 -1.333 0.034 1.00 0.00 C ATOM 359 C THR A 25 -17.255 -1.029 0.754 1.00 0.00 C ATOM 360 O THR A 25 -16.173 -1.080 0.154 1.00 0.00 O ATOM 361 CB THR A 25 -19.180 -2.709 0.410 1.00 0.00 C ATOM 362 OG1 THR A 25 -18.198 -3.643 0.809 1.00 0.00 O ATOM 363 CG2 THR A 25 -20.023 -3.359 -0.696 1.00 0.00 C ATOM 0 H THR A 25 -18.483 -2.043 -1.940 1.00 0.00 H new ATOM 0 HA THR A 25 -19.332 -0.618 0.363 1.00 0.00 H new ATOM 0 HB THR A 25 -19.837 -2.469 1.246 1.00 0.00 H new ATOM 0 HG1 THR A 25 -18.629 -4.493 1.037 1.00 0.00 H new ATOM 0 HG21 THR A 25 -20.405 -4.318 -0.346 1.00 0.00 H new ATOM 0 HG22 THR A 25 -20.859 -2.706 -0.948 1.00 0.00 H new ATOM 0 HG23 THR A 25 -19.405 -3.515 -1.580 1.00 0.00 H new ATOM 371 N PHE A 26 -17.326 -0.740 2.053 1.00 0.00 N ATOM 372 CA PHE A 26 -16.145 -0.439 2.842 1.00 0.00 C ATOM 373 C PHE A 26 -15.164 -1.608 2.776 1.00 0.00 C ATOM 374 O PHE A 26 -14.000 -1.429 2.415 1.00 0.00 O ATOM 375 CB PHE A 26 -16.567 -0.122 4.279 1.00 0.00 C ATOM 376 CG PHE A 26 -15.422 0.262 5.191 1.00 0.00 C ATOM 377 CD1 PHE A 26 -15.036 1.611 5.305 1.00 0.00 C ATOM 378 CD2 PHE A 26 -14.763 -0.722 5.951 1.00 0.00 C ATOM 379 CE1 PHE A 26 -14.016 1.978 6.199 1.00 0.00 C ATOM 380 CE2 PHE A 26 -13.736 -0.356 6.836 1.00 0.00 C ATOM 381 CZ PHE A 26 -13.370 0.993 6.968 1.00 0.00 C ATOM 0 H PHE A 26 -18.199 -0.709 2.579 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.634 0.436 2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.292 0.692 4.262 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.074 -0.992 4.697 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.524 2.364 4.705 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.047 -1.759 5.854 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.728 3.015 6.296 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -13.228 -1.112 7.415 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.591 1.275 7.661 1.00 0.00 H new ATOM 391 N GLU A 27 -15.622 -2.815 3.120 1.00 0.00 N ATOM 392 CA GLU A 27 -14.758 -3.987 3.095 1.00 0.00 C ATOM 393 C GLU A 27 -14.383 -4.386 1.665 1.00 0.00 C ATOM 394 O GLU A 27 -13.275 -4.879 1.463 1.00 0.00 O ATOM 395 CB GLU A 27 -15.370 -5.147 3.888 1.00 0.00 C ATOM 396 CG GLU A 27 -15.440 -4.787 5.382 1.00 0.00 C ATOM 397 CD GLU A 27 -15.485 -6.030 6.267 1.00 0.00 C ATOM 398 OE1 GLU A 27 -14.475 -6.767 6.330 1.00 0.00 O ATOM 399 OE2 GLU A 27 -16.525 -6.280 6.918 1.00 0.00 O ATOM 0 H GLU A 27 -16.580 -3.000 3.416 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.825 -3.722 3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -16.369 -5.368 3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.771 -6.048 3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.574 -4.182 5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.325 -4.178 5.567 1.00 0.00 H new ATOM 406 N GLN A 28 -15.249 -4.150 0.670 1.00 0.00 N ATOM 407 CA GLN A 28 -14.961 -4.483 -0.721 1.00 0.00 C ATOM 408 C GLN A 28 -13.730 -3.691 -1.165 1.00 0.00 C ATOM 409 O GLN A 28 -12.747 -4.279 -1.623 1.00 0.00 O ATOM 410 CB GLN A 28 -16.178 -4.169 -1.608 1.00 0.00 C ATOM 411 CG GLN A 28 -16.005 -4.570 -3.082 1.00 0.00 C ATOM 412 CD GLN A 28 -16.905 -3.755 -4.010 1.00 0.00 C ATOM 413 OE1 GLN A 28 -18.001 -3.333 -3.641 1.00 0.00 O ATOM 414 NE2 GLN A 28 -16.459 -3.489 -5.225 1.00 0.00 N ATOM 0 H GLN A 28 -16.165 -3.724 0.812 1.00 0.00 H new ATOM 0 HA GLN A 28 -14.755 -5.549 -0.818 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -17.050 -4.683 -1.204 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.385 -3.100 -1.556 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.964 -4.432 -3.375 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.231 -5.630 -3.198 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.550 -3.842 -5.523 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.024 -2.930 -5.865 1.00 0.00 H new ATOM 423 N ALA A 29 -13.788 -2.363 -1.024 1.00 0.00 N ATOM 424 CA ALA A 29 -12.704 -1.468 -1.391 1.00 0.00 C ATOM 425 C ALA A 29 -11.447 -1.807 -0.585 1.00 0.00 C ATOM 426 O ALA A 29 -10.345 -1.788 -1.133 1.00 0.00 O ATOM 427 CB ALA A 29 -13.152 -0.018 -1.177 1.00 0.00 C ATOM 0 H ALA A 29 -14.603 -1.880 -0.646 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.455 -1.593 -2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.342 0.657 -1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.023 0.189 -1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.410 0.132 -0.129 1.00 0.00 H new ATOM 433 N THR A 30 -11.597 -2.129 0.702 1.00 0.00 N ATOM 434 CA THR A 30 -10.484 -2.484 1.573 1.00 0.00 C ATOM 435 C THR A 30 -9.766 -3.723 1.009 1.00 0.00 C ATOM 436 O THR A 30 -8.563 -3.666 0.749 1.00 0.00 O ATOM 437 CB THR A 30 -11.008 -2.668 3.010 1.00 0.00 C ATOM 438 OG1 THR A 30 -11.560 -1.455 3.476 1.00 0.00 O ATOM 439 CG2 THR A 30 -9.919 -3.054 4.002 1.00 0.00 C ATOM 0 H THR A 30 -12.504 -2.150 1.169 1.00 0.00 H new ATOM 0 HA THR A 30 -9.739 -1.689 1.610 1.00 0.00 H new ATOM 0 HB THR A 30 -11.743 -3.471 2.956 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.523 -1.443 3.294 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.355 -3.168 4.995 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.464 -3.996 3.695 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.157 -2.275 4.027 1.00 0.00 H new ATOM 447 N SER A 31 -10.493 -4.818 0.758 1.00 0.00 N ATOM 448 CA SER A 31 -9.923 -6.052 0.228 1.00 0.00 C ATOM 449 C SER A 31 -9.285 -5.833 -1.151 1.00 0.00 C ATOM 450 O SER A 31 -8.272 -6.468 -1.449 1.00 0.00 O ATOM 451 CB SER A 31 -10.999 -7.150 0.196 1.00 0.00 C ATOM 452 OG SER A 31 -10.506 -8.362 0.733 1.00 0.00 O ATOM 0 H SER A 31 -11.499 -4.868 0.919 1.00 0.00 H new ATOM 0 HA SER A 31 -9.120 -6.378 0.889 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.871 -6.825 0.764 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.328 -7.311 -0.831 1.00 0.00 H new ATOM 0 HG SER A 31 -11.210 -9.043 0.703 1.00 0.00 H new ATOM 458 N GLU A 32 -9.828 -4.929 -1.976 1.00 0.00 N ATOM 459 CA GLU A 32 -9.283 -4.639 -3.301 1.00 0.00 C ATOM 460 C GLU A 32 -7.893 -4.005 -3.175 1.00 0.00 C ATOM 461 O GLU A 32 -6.988 -4.335 -3.945 1.00 0.00 O ATOM 462 CB GLU A 32 -10.222 -3.724 -4.092 1.00 0.00 C ATOM 463 CG GLU A 32 -11.346 -4.492 -4.787 1.00 0.00 C ATOM 464 CD GLU A 32 -10.824 -5.279 -5.991 1.00 0.00 C ATOM 465 OE1 GLU A 32 -10.411 -6.448 -5.828 1.00 0.00 O ATOM 466 OE2 GLU A 32 -10.797 -4.712 -7.109 1.00 0.00 O ATOM 0 H GLU A 32 -10.656 -4.381 -1.741 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.191 -5.578 -3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.655 -2.985 -3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.646 -3.177 -4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.813 -5.176 -4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.118 -3.795 -5.113 1.00 0.00 H new ATOM 473 N ALA A 33 -7.696 -3.112 -2.199 1.00 0.00 N ATOM 474 CA ALA A 33 -6.396 -2.482 -2.002 1.00 0.00 C ATOM 475 C ALA A 33 -5.361 -3.529 -1.608 1.00 0.00 C ATOM 476 O ALA A 33 -4.224 -3.488 -2.090 1.00 0.00 O ATOM 477 CB ALA A 33 -6.468 -1.386 -0.938 1.00 0.00 C ATOM 0 H ALA A 33 -8.416 -2.814 -1.541 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.098 -2.020 -2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.484 -0.935 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.180 -0.622 -1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.791 -1.819 0.009 1.00 0.00 H new ATOM 483 N TYR A 34 -5.759 -4.485 -0.771 1.00 0.00 N ATOM 484 CA TYR A 34 -4.872 -5.539 -0.311 1.00 0.00 C ATOM 485 C TYR A 34 -4.612 -6.539 -1.442 1.00 0.00 C ATOM 486 O TYR A 34 -3.527 -7.121 -1.501 1.00 0.00 O ATOM 487 CB TYR A 34 -5.478 -6.194 0.934 1.00 0.00 C ATOM 488 CG TYR A 34 -5.835 -5.271 2.088 1.00 0.00 C ATOM 489 CD1 TYR A 34 -5.234 -4.004 2.241 1.00 0.00 C ATOM 490 CD2 TYR A 34 -6.759 -5.717 3.049 1.00 0.00 C ATOM 491 CE1 TYR A 34 -5.585 -3.179 3.319 1.00 0.00 C ATOM 492 CE2 TYR A 34 -7.090 -4.911 4.148 1.00 0.00 C ATOM 493 CZ TYR A 34 -6.511 -3.630 4.279 1.00 0.00 C ATOM 494 OH TYR A 34 -6.848 -2.821 5.318 1.00 0.00 O ATOM 0 H TYR A 34 -6.705 -4.546 -0.396 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.902 -5.128 -0.030 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.380 -6.726 0.633 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.775 -6.941 1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.500 -3.668 1.524 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.218 -6.689 2.940 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.145 -2.197 3.413 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.786 -5.269 4.892 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.499 -3.278 5.891 1.00 0.00 H new ATOM 504 N ALA A 35 -5.567 -6.706 -2.365 1.00 0.00 N ATOM 505 CA ALA A 35 -5.453 -7.589 -3.516 1.00 0.00 C ATOM 506 C ALA A 35 -4.358 -7.022 -4.417 1.00 0.00 C ATOM 507 O ALA A 35 -3.369 -7.691 -4.719 1.00 0.00 O ATOM 508 CB ALA A 35 -6.793 -7.654 -4.271 1.00 0.00 C ATOM 0 H ALA A 35 -6.460 -6.215 -2.325 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.202 -8.602 -3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.695 -8.318 -5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.568 -8.034 -3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.067 -6.656 -4.613 1.00 0.00 H new ATOM 514 N TYR A 36 -4.520 -5.753 -4.799 1.00 0.00 N ATOM 515 CA TYR A 36 -3.596 -5.019 -5.647 1.00 0.00 C ATOM 516 C TYR A 36 -2.190 -5.041 -5.040 1.00 0.00 C ATOM 517 O TYR A 36 -1.216 -5.346 -5.727 1.00 0.00 O ATOM 518 CB TYR A 36 -4.141 -3.595 -5.815 1.00 0.00 C ATOM 519 CG TYR A 36 -3.364 -2.733 -6.786 1.00 0.00 C ATOM 520 CD1 TYR A 36 -3.454 -2.992 -8.166 1.00 0.00 C ATOM 521 CD2 TYR A 36 -2.584 -1.657 -6.321 1.00 0.00 C ATOM 522 CE1 TYR A 36 -2.782 -2.171 -9.085 1.00 0.00 C ATOM 523 CE2 TYR A 36 -1.902 -0.837 -7.236 1.00 0.00 C ATOM 524 CZ TYR A 36 -2.006 -1.086 -8.621 1.00 0.00 C ATOM 525 OH TYR A 36 -1.405 -0.252 -9.503 1.00 0.00 O ATOM 0 H TYR A 36 -5.326 -5.196 -4.514 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.513 -5.481 -6.631 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.177 -3.654 -6.150 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.148 -3.106 -4.841 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.042 -3.826 -8.520 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.510 -1.462 -5.261 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.858 -2.368 -10.144 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.298 -0.016 -6.879 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.118 0.563 -9.040 1.00 0.00 H new ATOM 535 N ALA A 37 -2.069 -4.767 -3.737 1.00 0.00 N ATOM 536 CA ALA A 37 -0.778 -4.768 -3.064 1.00 0.00 C ATOM 537 C ALA A 37 -0.145 -6.167 -3.056 1.00 0.00 C ATOM 538 O ALA A 37 1.081 -6.286 -3.104 1.00 0.00 O ATOM 539 CB ALA A 37 -0.948 -4.233 -1.643 1.00 0.00 C ATOM 0 H ALA A 37 -2.857 -4.541 -3.130 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.098 -4.117 -3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.017 -4.233 -1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.338 -3.216 -1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.645 -4.868 -1.096 1.00 0.00 H new ATOM 545 N ASP A 38 -0.935 -7.241 -2.955 1.00 0.00 N ATOM 546 CA ASP A 38 -0.403 -8.606 -2.957 1.00 0.00 C ATOM 547 C ASP A 38 0.133 -8.953 -4.347 1.00 0.00 C ATOM 548 O ASP A 38 1.159 -9.626 -4.460 1.00 0.00 O ATOM 549 CB ASP A 38 -1.440 -9.644 -2.511 1.00 0.00 C ATOM 550 CG ASP A 38 -0.749 -10.974 -2.195 1.00 0.00 C ATOM 551 OD1 ASP A 38 -0.522 -11.799 -3.109 1.00 0.00 O ATOM 552 OD2 ASP A 38 -0.381 -11.180 -1.016 1.00 0.00 O ATOM 0 H ASP A 38 -1.950 -7.190 -2.870 1.00 0.00 H new ATOM 0 HA ASP A 38 0.409 -8.639 -2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.972 -9.283 -1.631 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.183 -9.788 -3.296 1.00 0.00 H new ATOM 557 N THR A 39 -0.502 -8.433 -5.402 1.00 0.00 N ATOM 558 CA THR A 39 -0.128 -8.650 -6.796 1.00 0.00 C ATOM 559 C THR A 39 1.235 -8.011 -7.140 1.00 0.00 C ATOM 560 O THR A 39 1.778 -8.250 -8.221 1.00 0.00 O ATOM 561 CB THR A 39 -1.329 -8.253 -7.696 1.00 0.00 C ATOM 562 OG1 THR A 39 -1.721 -9.368 -8.474 1.00 0.00 O ATOM 563 CG2 THR A 39 -1.149 -7.058 -8.635 1.00 0.00 C ATOM 0 H THR A 39 -1.318 -7.829 -5.301 1.00 0.00 H new ATOM 0 HA THR A 39 0.062 -9.705 -6.993 1.00 0.00 H new ATOM 0 HB THR A 39 -2.084 -7.930 -6.979 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.480 -9.120 -9.042 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.067 -6.898 -9.200 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.923 -6.166 -8.050 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.329 -7.257 -9.324 1.00 0.00 H new ATOM 571 N LEU A 40 1.849 -7.263 -6.215 1.00 0.00 N ATOM 572 CA LEU A 40 3.149 -6.606 -6.378 1.00 0.00 C ATOM 573 C LEU A 40 4.146 -7.063 -5.304 1.00 0.00 C ATOM 574 O LEU A 40 5.349 -6.841 -5.437 1.00 0.00 O ATOM 575 CB LEU A 40 2.954 -5.081 -6.291 1.00 0.00 C ATOM 576 CG LEU A 40 2.041 -4.490 -7.384 1.00 0.00 C ATOM 577 CD1 LEU A 40 1.636 -3.061 -7.016 1.00 0.00 C ATOM 578 CD2 LEU A 40 2.745 -4.507 -8.742 1.00 0.00 C ATOM 0 H LEU A 40 1.437 -7.093 -5.298 1.00 0.00 H new ATOM 0 HA LEU A 40 3.557 -6.880 -7.351 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.536 -4.836 -5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.930 -4.599 -6.350 1.00 0.00 H new ATOM 0 HG LEU A 40 1.144 -5.105 -7.454 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.991 -2.654 -7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.099 -3.068 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.529 -2.442 -6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.084 -4.086 -9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.658 -3.914 -8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.996 -5.534 -9.009 1.00 0.00 H new ATOM 590 N LYS A 41 3.665 -7.721 -4.246 1.00 0.00 N ATOM 591 CA LYS A 41 4.454 -8.209 -3.122 1.00 0.00 C ATOM 592 C LYS A 41 5.583 -9.159 -3.532 1.00 0.00 C ATOM 593 O LYS A 41 6.556 -9.245 -2.788 1.00 0.00 O ATOM 594 CB LYS A 41 3.491 -8.887 -2.129 1.00 0.00 C ATOM 595 CG LYS A 41 4.069 -9.122 -0.727 1.00 0.00 C ATOM 596 CD LYS A 41 3.331 -10.226 0.041 1.00 0.00 C ATOM 597 CE LYS A 41 1.948 -9.865 0.601 1.00 0.00 C ATOM 598 NZ LYS A 41 2.012 -8.889 1.709 1.00 0.00 N ATOM 0 H LYS A 41 2.672 -7.935 -4.149 1.00 0.00 H new ATOM 0 HA LYS A 41 4.957 -7.359 -2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.594 -8.274 -2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.181 -9.846 -2.544 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.123 -9.387 -0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.019 -8.194 -0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.217 -11.084 -0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.962 -10.545 0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.332 -9.457 -0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.455 -10.772 0.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.372 -9.188 2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.985 -8.840 2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.724 -7.952 1.363 1.00 0.00 H new ATOM 612 N GLN A 42 5.503 -9.868 -4.666 1.00 0.00 N ATOM 613 CA GLN A 42 6.585 -10.775 -5.025 1.00 0.00 C ATOM 614 C GLN A 42 7.890 -10.008 -5.261 1.00 0.00 C ATOM 615 O GLN A 42 8.860 -10.253 -4.542 1.00 0.00 O ATOM 616 CB GLN A 42 6.207 -11.653 -6.227 1.00 0.00 C ATOM 617 CG GLN A 42 7.233 -12.777 -6.446 1.00 0.00 C ATOM 618 CD GLN A 42 6.918 -13.566 -7.710 1.00 0.00 C ATOM 619 OE1 GLN A 42 7.004 -13.036 -8.814 1.00 0.00 O ATOM 620 NE2 GLN A 42 6.537 -14.825 -7.602 1.00 0.00 N ATOM 0 H GLN A 42 4.726 -9.831 -5.326 1.00 0.00 H new ATOM 0 HA GLN A 42 6.752 -11.447 -4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.220 -12.086 -6.067 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.143 -11.037 -7.124 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.234 -12.351 -6.519 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.233 -13.447 -5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.468 -15.260 -6.682 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.312 -15.363 -8.439 1.00 0.00 H new ATOM 629 N ASP A 43 7.921 -9.100 -6.242 1.00 0.00 N ATOM 630 CA ASP A 43 9.133 -8.343 -6.556 1.00 0.00 C ATOM 631 C ASP A 43 9.378 -7.155 -5.643 1.00 0.00 C ATOM 632 O ASP A 43 10.536 -6.779 -5.463 1.00 0.00 O ATOM 633 CB ASP A 43 9.153 -7.887 -8.022 1.00 0.00 C ATOM 634 CG ASP A 43 8.188 -6.753 -8.366 1.00 0.00 C ATOM 635 OD1 ASP A 43 6.958 -6.986 -8.415 1.00 0.00 O ATOM 636 OD2 ASP A 43 8.643 -5.650 -8.740 1.00 0.00 O ATOM 0 H ASP A 43 7.120 -8.873 -6.831 1.00 0.00 H new ATOM 0 HA ASP A 43 9.949 -9.044 -6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.165 -7.569 -8.273 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.922 -8.744 -8.655 1.00 0.00 H new ATOM 641 N ASN A 44 8.329 -6.592 -5.037 1.00 0.00 N ATOM 642 CA ASN A 44 8.481 -5.434 -4.158 1.00 0.00 C ATOM 643 C ASN A 44 8.736 -5.833 -2.709 1.00 0.00 C ATOM 644 O ASN A 44 9.249 -5.004 -1.955 1.00 0.00 O ATOM 645 CB ASN A 44 7.259 -4.511 -4.230 1.00 0.00 C ATOM 646 CG ASN A 44 7.138 -3.842 -5.588 1.00 0.00 C ATOM 647 OD1 ASN A 44 7.548 -2.698 -5.759 1.00 0.00 O ATOM 648 ND2 ASN A 44 6.587 -4.532 -6.573 1.00 0.00 N ATOM 0 H ASN A 44 7.369 -6.920 -5.140 1.00 0.00 H new ATOM 0 HA ASN A 44 9.357 -4.895 -4.519 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.356 -5.087 -4.026 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.333 -3.749 -3.454 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.496 -4.115 -7.499 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.254 -5.481 -6.406 1.00 0.00 H new ATOM 655 N GLY A 45 8.434 -7.077 -2.330 1.00 0.00 N ATOM 656 CA GLY A 45 8.610 -7.602 -0.988 1.00 0.00 C ATOM 657 C GLY A 45 7.372 -7.382 -0.129 1.00 0.00 C ATOM 658 O GLY A 45 6.351 -6.863 -0.597 1.00 0.00 O ATOM 0 H GLY A 45 8.047 -7.764 -2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.831 -8.668 -1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.468 -7.121 -0.519 1.00 0.00 H new ATOM 662 N GLU A 46 7.449 -7.820 1.131 1.00 0.00 N ATOM 663 CA GLU A 46 6.355 -7.678 2.073 1.00 0.00 C ATOM 664 C GLU A 46 6.003 -6.213 2.314 1.00 0.00 C ATOM 665 O GLU A 46 6.745 -5.286 1.979 1.00 0.00 O ATOM 666 CB GLU A 46 6.683 -8.391 3.393 1.00 0.00 C ATOM 667 CG GLU A 46 6.126 -9.817 3.407 1.00 0.00 C ATOM 668 CD GLU A 46 4.597 -9.875 3.491 1.00 0.00 C ATOM 669 OE1 GLU A 46 3.922 -8.821 3.607 1.00 0.00 O ATOM 670 OE2 GLU A 46 4.034 -10.983 3.337 1.00 0.00 O ATOM 0 H GLU A 46 8.273 -8.281 1.518 1.00 0.00 H new ATOM 0 HA GLU A 46 5.477 -8.152 1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.763 -8.419 3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.266 -7.827 4.227 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.452 -10.335 2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.549 -10.356 4.255 1.00 0.00 H new ATOM 677 N TRP A 47 4.830 -6.007 2.902 1.00 0.00 N ATOM 678 CA TRP A 47 4.321 -4.687 3.201 1.00 0.00 C ATOM 679 C TRP A 47 3.539 -4.684 4.503 1.00 0.00 C ATOM 680 O TRP A 47 3.286 -5.732 5.099 1.00 0.00 O ATOM 681 CB TRP A 47 3.475 -4.178 2.017 1.00 0.00 C ATOM 682 CG TRP A 47 2.480 -5.114 1.390 1.00 0.00 C ATOM 683 CD1 TRP A 47 2.647 -5.696 0.184 1.00 0.00 C ATOM 684 CD2 TRP A 47 1.149 -5.517 1.842 1.00 0.00 C ATOM 685 NE1 TRP A 47 1.500 -6.365 -0.180 1.00 0.00 N ATOM 686 CE2 TRP A 47 0.545 -6.305 0.814 1.00 0.00 C ATOM 687 CE3 TRP A 47 0.381 -5.293 3.005 1.00 0.00 C ATOM 688 CZ2 TRP A 47 -0.746 -6.842 0.938 1.00 0.00 C ATOM 689 CZ3 TRP A 47 -0.909 -5.839 3.146 1.00 0.00 C ATOM 690 CH2 TRP A 47 -1.475 -6.612 2.117 1.00 0.00 C ATOM 0 H TRP A 47 4.205 -6.762 3.184 1.00 0.00 H new ATOM 0 HA TRP A 47 5.159 -4.003 3.339 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.932 -3.295 2.353 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.161 -3.852 1.235 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.548 -5.645 -0.409 1.00 0.00 H new ATOM 0 HE1 TRP A 47 1.372 -6.844 -1.071 1.00 0.00 H new ATOM 0 HE3 TRP A 47 0.791 -4.691 3.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.174 -7.425 0.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -1.469 -5.663 4.053 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.465 -7.027 2.232 1.00 0.00 H new ATOM 701 N THR A 48 3.205 -3.486 4.955 1.00 0.00 N ATOM 702 CA THR A 48 2.429 -3.193 6.148 1.00 0.00 C ATOM 703 C THR A 48 1.387 -2.162 5.707 1.00 0.00 C ATOM 704 O THR A 48 1.425 -1.704 4.554 1.00 0.00 O ATOM 705 CB THR A 48 3.327 -2.714 7.305 1.00 0.00 C ATOM 706 OG1 THR A 48 4.196 -1.665 6.922 1.00 0.00 O ATOM 707 CG2 THR A 48 4.186 -3.855 7.851 1.00 0.00 C ATOM 0 H THR A 48 3.488 -2.637 4.465 1.00 0.00 H new ATOM 0 HA THR A 48 1.936 -4.077 6.553 1.00 0.00 H new ATOM 0 HB THR A 48 2.643 -2.350 8.071 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.742 -1.396 7.690 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.808 -3.484 8.666 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.540 -4.652 8.221 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.823 -4.243 7.056 1.00 0.00 H new ATOM 715 N VAL A 49 0.436 -1.819 6.571 1.00 0.00 N ATOM 716 CA VAL A 49 -0.591 -0.854 6.233 1.00 0.00 C ATOM 717 C VAL A 49 -0.910 0.001 7.456 1.00 0.00 C ATOM 718 O VAL A 49 -0.683 -0.414 8.592 1.00 0.00 O ATOM 719 CB VAL A 49 -1.808 -1.592 5.618 1.00 0.00 C ATOM 720 CG1 VAL A 49 -2.467 -2.602 6.572 1.00 0.00 C ATOM 721 CG2 VAL A 49 -2.882 -0.633 5.084 1.00 0.00 C ATOM 0 H VAL A 49 0.360 -2.201 7.514 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.249 -0.157 5.468 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.380 -2.146 4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.310 -3.078 6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.739 -3.361 6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.820 -2.084 7.464 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.708 -1.208 4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.250 -0.009 5.898 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.451 -0.000 4.308 1.00 0.00 H new ATOM 731 N ASP A 50 -1.425 1.202 7.213 1.00 0.00 N ATOM 732 CA ASP A 50 -1.839 2.181 8.203 1.00 0.00 C ATOM 733 C ASP A 50 -3.217 2.664 7.757 1.00 0.00 C ATOM 734 O ASP A 50 -3.460 2.811 6.554 1.00 0.00 O ATOM 735 CB ASP A 50 -0.856 3.351 8.330 1.00 0.00 C ATOM 736 CG ASP A 50 -0.938 3.932 9.737 1.00 0.00 C ATOM 737 OD1 ASP A 50 -2.045 4.317 10.165 1.00 0.00 O ATOM 738 OD2 ASP A 50 0.093 4.034 10.437 1.00 0.00 O ATOM 0 H ASP A 50 -1.572 1.535 6.260 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.865 1.730 9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.159 3.011 8.124 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.091 4.119 7.593 1.00 0.00 H new ATOM 743 N VAL A 51 -4.120 2.881 8.707 1.00 0.00 N ATOM 744 CA VAL A 51 -5.492 3.318 8.497 1.00 0.00 C ATOM 745 C VAL A 51 -5.614 4.806 8.835 1.00 0.00 C ATOM 746 O VAL A 51 -5.046 5.272 9.825 1.00 0.00 O ATOM 747 CB VAL A 51 -6.428 2.454 9.375 1.00 0.00 C ATOM 748 CG1 VAL A 51 -7.898 2.673 8.996 1.00 0.00 C ATOM 749 CG2 VAL A 51 -6.128 0.949 9.247 1.00 0.00 C ATOM 0 H VAL A 51 -3.902 2.750 9.695 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.781 3.191 7.454 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.247 2.770 10.402 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.533 2.053 9.629 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.158 3.722 9.137 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.049 2.399 7.952 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.812 0.386 9.883 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.258 0.639 8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.101 0.755 9.558 1.00 0.00 H new ATOM 759 N ALA A 52 -6.277 5.589 7.986 1.00 0.00 N ATOM 760 CA ALA A 52 -6.522 7.018 8.161 1.00 0.00 C ATOM 761 C ALA A 52 -7.954 7.314 7.693 1.00 0.00 C ATOM 762 O ALA A 52 -8.626 6.439 7.140 1.00 0.00 O ATOM 763 CB ALA A 52 -5.459 7.855 7.438 1.00 0.00 C ATOM 0 H ALA A 52 -6.675 5.228 7.119 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.438 7.299 9.211 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.668 8.915 7.586 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.474 7.619 7.841 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.479 7.627 6.372 1.00 0.00 H new ATOM 769 N ASP A 53 -8.439 8.532 7.949 1.00 0.00 N ATOM 770 CA ASP A 53 -9.787 9.014 7.604 1.00 0.00 C ATOM 771 C ASP A 53 -10.843 8.012 8.074 1.00 0.00 C ATOM 772 O ASP A 53 -11.785 7.681 7.360 1.00 0.00 O ATOM 773 CB ASP A 53 -9.921 9.376 6.113 1.00 0.00 C ATOM 774 CG ASP A 53 -9.305 10.727 5.754 1.00 0.00 C ATOM 775 OD1 ASP A 53 -8.299 11.115 6.395 1.00 0.00 O ATOM 776 OD2 ASP A 53 -9.895 11.418 4.891 1.00 0.00 O ATOM 0 H ASP A 53 -7.882 9.243 8.423 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.960 9.949 8.138 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.445 8.599 5.515 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.977 9.384 5.843 1.00 0.00 H new ATOM 781 N GLN A 54 -10.669 7.507 9.301 1.00 0.00 N ATOM 782 CA GLN A 54 -11.531 6.520 9.961 1.00 0.00 C ATOM 783 C GLN A 54 -11.628 5.186 9.196 1.00 0.00 C ATOM 784 O GLN A 54 -12.311 4.276 9.662 1.00 0.00 O ATOM 785 CB GLN A 54 -12.925 7.099 10.286 1.00 0.00 C ATOM 786 CG GLN A 54 -12.874 8.498 10.919 1.00 0.00 C ATOM 787 CD GLN A 54 -14.162 8.839 11.666 1.00 0.00 C ATOM 788 OE1 GLN A 54 -15.104 9.392 11.112 1.00 0.00 O ATOM 789 NE2 GLN A 54 -14.233 8.533 12.952 1.00 0.00 N ATOM 0 H GLN A 54 -9.885 7.790 9.889 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.044 6.286 10.908 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -13.514 7.144 9.370 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.443 6.421 10.964 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.031 8.553 11.608 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.699 9.241 10.141 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -13.447 8.072 13.411 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -15.074 8.758 13.484 1.00 0.00 H new ATOM 798 N GLY A 55 -10.915 5.032 8.082 1.00 0.00 N ATOM 799 CA GLY A 55 -10.887 3.864 7.224 1.00 0.00 C ATOM 800 C GLY A 55 -10.943 4.244 5.746 1.00 0.00 C ATOM 801 O GLY A 55 -10.673 3.391 4.907 1.00 0.00 O ATOM 0 H GLY A 55 -10.304 5.772 7.738 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.980 3.292 7.418 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.730 3.216 7.465 1.00 0.00 H new ATOM 805 N TYR A 56 -11.272 5.496 5.395 1.00 0.00 N ATOM 806 CA TYR A 56 -11.339 5.919 3.995 1.00 0.00 C ATOM 807 C TYR A 56 -9.960 6.139 3.365 1.00 0.00 C ATOM 808 O TYR A 56 -9.870 6.399 2.164 1.00 0.00 O ATOM 809 CB TYR A 56 -12.248 7.145 3.834 1.00 0.00 C ATOM 810 CG TYR A 56 -13.640 6.989 4.427 1.00 0.00 C ATOM 811 CD1 TYR A 56 -14.377 5.808 4.210 1.00 0.00 C ATOM 812 CD2 TYR A 56 -14.191 8.014 5.222 1.00 0.00 C ATOM 813 CE1 TYR A 56 -15.636 5.641 4.808 1.00 0.00 C ATOM 814 CE2 TYR A 56 -15.464 7.862 5.801 1.00 0.00 C ATOM 815 CZ TYR A 56 -16.195 6.670 5.597 1.00 0.00 C ATOM 816 OH TYR A 56 -17.430 6.523 6.158 1.00 0.00 O ATOM 0 H TYR A 56 -11.496 6.232 6.065 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.785 5.094 3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -11.764 8.003 4.301 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -12.344 7.372 2.772 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -13.972 5.029 3.582 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -13.632 8.923 5.388 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -16.181 4.720 4.664 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -15.883 8.656 6.401 1.00 0.00 H new ATOM 0 HH TYR A 56 -17.655 7.329 6.668 1.00 0.00 H new ATOM 826 N THR A 57 -8.878 6.004 4.125 1.00 0.00 N ATOM 827 CA THR A 57 -7.533 6.172 3.620 1.00 0.00 C ATOM 828 C THR A 57 -6.696 5.005 4.122 1.00 0.00 C ATOM 829 O THR A 57 -6.744 4.661 5.306 1.00 0.00 O ATOM 830 CB THR A 57 -6.967 7.514 4.090 1.00 0.00 C ATOM 831 OG1 THR A 57 -7.756 8.603 3.659 1.00 0.00 O ATOM 832 CG2 THR A 57 -5.534 7.700 3.598 1.00 0.00 C ATOM 0 H THR A 57 -8.918 5.773 5.118 1.00 0.00 H new ATOM 0 HA THR A 57 -7.522 6.179 2.530 1.00 0.00 H new ATOM 0 HB THR A 57 -6.979 7.495 5.180 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.362 9.440 3.981 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.152 8.661 3.944 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.908 6.898 3.990 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.517 7.674 2.508 1.00 0.00 H new ATOM 840 N LEU A 58 -5.920 4.411 3.217 1.00 0.00 N ATOM 841 CA LEU A 58 -5.030 3.301 3.497 1.00 0.00 C ATOM 842 C LEU A 58 -3.650 3.707 3.024 1.00 0.00 C ATOM 843 O LEU A 58 -3.512 4.223 1.916 1.00 0.00 O ATOM 844 CB LEU A 58 -5.491 2.027 2.773 1.00 0.00 C ATOM 845 CG LEU A 58 -6.811 1.457 3.313 1.00 0.00 C ATOM 846 CD1 LEU A 58 -7.227 0.254 2.462 1.00 0.00 C ATOM 847 CD2 LEU A 58 -6.676 1.045 4.779 1.00 0.00 C ATOM 0 H LEU A 58 -5.897 4.703 2.240 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.027 3.078 4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.606 2.244 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.714 1.268 2.861 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.576 2.231 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.164 -0.154 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.362 0.569 1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.452 -0.511 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.626 0.645 5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.904 0.282 4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.402 1.914 5.377 1.00 0.00 H new ATOM 859 N ASN A 59 -2.634 3.524 3.859 1.00 0.00 N ATOM 860 CA ASN A 59 -1.255 3.846 3.514 1.00 0.00 C ATOM 861 C ASN A 59 -0.540 2.511 3.529 1.00 0.00 C ATOM 862 O ASN A 59 -0.566 1.851 4.561 1.00 0.00 O ATOM 863 CB ASN A 59 -0.618 4.842 4.490 1.00 0.00 C ATOM 864 CG ASN A 59 -1.338 6.182 4.531 1.00 0.00 C ATOM 865 OD1 ASN A 59 -1.519 6.843 3.508 1.00 0.00 O ATOM 866 ND2 ASN A 59 -1.757 6.620 5.704 1.00 0.00 N ATOM 0 H ASN A 59 -2.745 3.146 4.800 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.191 4.342 2.546 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.613 4.409 5.490 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.422 5.004 4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.238 7.517 5.771 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.600 6.061 6.543 1.00 0.00 H new ATOM 873 N ILE A 60 0.061 2.082 2.422 1.00 0.00 N ATOM 874 CA ILE A 60 0.748 0.797 2.296 1.00 0.00 C ATOM 875 C ILE A 60 2.214 1.074 1.970 1.00 0.00 C ATOM 876 O ILE A 60 2.491 1.838 1.046 1.00 0.00 O ATOM 877 CB ILE A 60 0.038 -0.037 1.198 1.00 0.00 C ATOM 878 CG1 ILE A 60 -1.471 -0.239 1.497 1.00 0.00 C ATOM 879 CG2 ILE A 60 0.722 -1.406 1.012 1.00 0.00 C ATOM 880 CD1 ILE A 60 -2.292 -0.587 0.251 1.00 0.00 C ATOM 0 H ILE A 60 0.085 2.633 1.564 1.00 0.00 H new ATOM 0 HA ILE A 60 0.712 0.219 3.220 1.00 0.00 H new ATOM 0 HB ILE A 60 0.122 0.533 0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.586 -1.034 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.871 0.671 1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.203 -1.969 0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.761 -1.257 0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.686 -1.961 1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.338 -0.715 0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.206 0.219 -0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.916 -1.513 -0.185 1.00 0.00 H new ATOM 892 N GLN A 61 3.155 0.451 2.686 1.00 0.00 N ATOM 893 CA GLN A 61 4.587 0.648 2.469 1.00 0.00 C ATOM 894 C GLN A 61 5.258 -0.699 2.190 1.00 0.00 C ATOM 895 O GLN A 61 5.138 -1.623 2.999 1.00 0.00 O ATOM 896 CB GLN A 61 5.188 1.388 3.684 1.00 0.00 C ATOM 897 CG GLN A 61 6.515 2.119 3.403 1.00 0.00 C ATOM 898 CD GLN A 61 7.703 1.214 3.098 1.00 0.00 C ATOM 899 OE1 GLN A 61 7.810 0.121 3.642 1.00 0.00 O ATOM 900 NE2 GLN A 61 8.621 1.646 2.252 1.00 0.00 N ATOM 0 H GLN A 61 2.941 -0.207 3.436 1.00 0.00 H new ATOM 0 HA GLN A 61 4.764 1.272 1.593 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.460 2.113 4.047 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.349 0.669 4.487 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.368 2.795 2.560 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.761 2.736 4.267 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.516 2.558 1.808 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.434 1.067 2.043 1.00 0.00 H new ATOM 909 N PHE A 62 5.888 -0.840 1.022 1.00 0.00 N ATOM 910 CA PHE A 62 6.602 -2.050 0.617 1.00 0.00 C ATOM 911 C PHE A 62 7.981 -1.982 1.271 1.00 0.00 C ATOM 912 O PHE A 62 8.737 -1.049 1.009 1.00 0.00 O ATOM 913 CB PHE A 62 6.718 -2.138 -0.909 1.00 0.00 C ATOM 914 CG PHE A 62 5.408 -2.411 -1.627 1.00 0.00 C ATOM 915 CD1 PHE A 62 5.003 -3.737 -1.874 1.00 0.00 C ATOM 916 CD2 PHE A 62 4.605 -1.347 -2.081 1.00 0.00 C ATOM 917 CE1 PHE A 62 3.820 -3.996 -2.592 1.00 0.00 C ATOM 918 CE2 PHE A 62 3.422 -1.607 -2.792 1.00 0.00 C ATOM 919 CZ PHE A 62 3.028 -2.931 -3.049 1.00 0.00 C ATOM 0 H PHE A 62 5.916 -0.102 0.319 1.00 0.00 H new ATOM 0 HA PHE A 62 6.065 -2.943 0.935 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.134 -1.203 -1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.427 -2.926 -1.162 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.603 -4.559 -1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.900 -0.327 -1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.522 -5.015 -2.791 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.813 -0.787 -3.142 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.118 -3.129 -3.597 1.00 0.00 H new ATOM 929 N ALA A 63 8.295 -2.938 2.145 1.00 0.00 N ATOM 930 CA ALA A 63 9.553 -3.004 2.879 1.00 0.00 C ATOM 931 C ALA A 63 10.740 -3.573 2.094 1.00 0.00 C ATOM 932 O ALA A 63 11.870 -3.460 2.584 1.00 0.00 O ATOM 933 CB ALA A 63 9.319 -3.837 4.139 1.00 0.00 C ATOM 0 H ALA A 63 7.663 -3.707 2.366 1.00 0.00 H new ATOM 0 HA ALA A 63 9.838 -1.976 3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.246 -3.903 4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.550 -3.364 4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.994 -4.839 3.858 1.00 0.00 H new ATOM 939 N GLY A 64 10.532 -4.149 0.909 1.00 0.00 N ATOM 940 CA GLY A 64 11.601 -4.724 0.100 1.00 0.00 C ATOM 941 C GLY A 64 11.802 -6.208 0.375 1.00 0.00 C ATOM 942 O GLY A 64 11.224 -6.783 1.298 1.00 0.00 O ATOM 0 H GLY A 64 9.609 -4.229 0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.371 -4.581 -0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.531 -4.191 0.299 1.00 0.00 H new TER 946 GLY A 64