USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 381 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 52:sc= 1.02 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -164:sc= -0.123 (180deg=-0.494) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc=-0.00708 (180deg=-0.102) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= -0.0605 (180deg=-0.722) USER MOD Single : A 28 ASN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.25) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= -0.0078 (180deg=-0.16) USER MOD Single : A 47 CYS SG : rot -24:sc= 0.105 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 0.00 C ATOM 3 C MET A 1 2.110 -1.391 -1.869 1.00 0.00 C ATOM 4 O MET A 1 1.511 -1.617 -2.920 1.00 0.00 O ATOM 5 CB MET A 1 3.525 0.474 -0.986 1.00 0.00 C ATOM 6 CG MET A 1 4.369 0.567 -2.247 1.00 0.00 C ATOM 7 SD MET A 1 3.782 1.838 -3.383 1.00 0.00 S ATOM 8 CE MET A 1 5.320 2.657 -3.798 1.00 0.00 C ATOM 0 H1 MET A 1 1.332 0.956 0.408 1.00 0.00 H new ATOM 0 H2 MET A 1 0.350 -0.291 -0.195 1.00 0.00 H new ATOM 0 H3 MET A 1 1.760 -0.665 0.673 1.00 0.00 H new ATOM 0 HA MET A 1 1.609 0.685 -1.937 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.494 1.452 -0.506 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.006 -0.209 -0.286 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.402 0.779 -1.973 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.365 -0.398 -2.754 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.122 3.471 -4.496 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.775 3.058 -2.892 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.001 1.941 -4.259 1.00 0.00 H new ATOM 18 N GLY A 2 2.801 -2.321 -1.217 1.00 0.00 N ATOM 19 CA GLY A 2 2.884 -3.678 -1.726 1.00 0.00 C ATOM 20 C GLY A 2 2.739 -4.717 -0.633 1.00 0.00 C ATOM 21 O GLY A 2 1.929 -4.559 0.281 1.00 0.00 O ATOM 0 H GLY A 2 3.305 -2.159 -0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 2 2.106 -3.831 -2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.841 -3.816 -2.230 1.00 0.00 H new ATOM 25 N VAL A 3 3.525 -5.786 -0.726 1.00 0.00 N ATOM 26 CA VAL A 3 3.480 -6.856 0.263 1.00 0.00 C ATOM 27 C VAL A 3 4.841 -7.054 0.921 1.00 0.00 C ATOM 28 O VAL A 3 5.880 -6.828 0.300 1.00 0.00 O ATOM 29 CB VAL A 3 3.030 -8.186 -0.370 1.00 0.00 C ATOM 30 CG1 VAL A 3 1.550 -8.137 -0.720 1.00 0.00 C ATOM 31 CG2 VAL A 3 3.867 -8.501 -1.600 1.00 0.00 C ATOM 0 H VAL A 3 4.200 -5.933 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 3 2.754 -6.558 1.019 1.00 0.00 H new ATOM 0 HB VAL A 3 3.181 -8.984 0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 3 1.250 -9.085 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.968 -7.961 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.370 -7.329 -1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.535 -9.444 -2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.751 -7.703 -2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.916 -8.582 -1.315 1.00 0.00 H new ATOM 41 N SER A 4 4.828 -7.477 2.180 1.00 0.00 N ATOM 42 CA SER A 4 6.061 -7.702 2.925 1.00 0.00 C ATOM 43 C SER A 4 6.523 -9.150 2.787 1.00 0.00 C ATOM 44 O SER A 4 6.239 -9.988 3.642 1.00 0.00 O ATOM 45 CB SER A 4 5.861 -7.357 4.402 1.00 0.00 C ATOM 46 OG SER A 4 4.891 -8.202 4.996 1.00 0.00 O ATOM 0 H SER A 4 3.976 -7.671 2.707 1.00 0.00 H new ATOM 0 HA SER A 4 6.831 -7.052 2.509 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.808 -7.455 4.933 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.549 -6.317 4.497 1.00 0.00 H new ATOM 0 HG SER A 4 5.118 -9.138 4.816 1.00 0.00 H new ATOM 52 N VAL A 5 7.236 -9.436 1.702 1.00 0.00 N ATOM 53 CA VAL A 5 7.739 -10.782 1.451 1.00 0.00 C ATOM 54 C VAL A 5 9.257 -10.785 1.314 1.00 0.00 C ATOM 55 O VAL A 5 9.828 -11.642 0.641 1.00 0.00 O ATOM 56 CB VAL A 5 7.118 -11.384 0.177 1.00 0.00 C ATOM 57 CG1 VAL A 5 5.664 -11.762 0.418 1.00 0.00 C ATOM 58 CG2 VAL A 5 7.238 -10.409 -0.985 1.00 0.00 C ATOM 0 H VAL A 5 7.478 -8.754 0.983 1.00 0.00 H new ATOM 0 HA VAL A 5 7.454 -11.392 2.308 1.00 0.00 H new ATOM 0 HB VAL A 5 7.666 -12.291 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.242 -12.186 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.608 -12.498 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.099 -10.874 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.794 -10.850 -1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.716 -9.484 -0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.290 -10.193 -1.172 1.00 0.00 H new ATOM 68 N MET A 6 9.906 -9.819 1.957 1.00 0.00 N ATOM 69 CA MET A 6 11.359 -9.712 1.908 1.00 0.00 C ATOM 70 C MET A 6 12.016 -11.000 2.394 1.00 0.00 C ATOM 71 O MET A 6 13.126 -11.335 1.981 1.00 0.00 O ATOM 72 CB MET A 6 11.834 -8.532 2.758 1.00 0.00 C ATOM 73 CG MET A 6 11.444 -7.177 2.188 1.00 0.00 C ATOM 74 SD MET A 6 11.869 -5.813 3.287 1.00 0.00 S ATOM 75 CE MET A 6 10.239 -5.226 3.744 1.00 0.00 C ATOM 0 H MET A 6 9.449 -9.100 2.517 1.00 0.00 H new ATOM 0 HA MET A 6 11.651 -9.545 0.871 1.00 0.00 H new ATOM 0 HB2 MET A 6 11.420 -8.628 3.762 1.00 0.00 H new ATOM 0 HB3 MET A 6 12.919 -8.578 2.855 1.00 0.00 H new ATOM 0 HG2 MET A 6 11.941 -7.034 1.229 1.00 0.00 H new ATOM 0 HG3 MET A 6 10.371 -7.163 1.996 1.00 0.00 H new ATOM 0 HE1 MET A 6 10.335 -4.380 4.424 1.00 0.00 H new ATOM 0 HE2 MET A 6 9.701 -4.913 2.849 1.00 0.00 H new ATOM 0 HE3 MET A 6 9.689 -6.027 4.237 1.00 0.00 H new ATOM 85 N GLU A 7 11.324 -11.717 3.274 1.00 0.00 N ATOM 86 CA GLU A 7 11.842 -12.967 3.816 1.00 0.00 C ATOM 87 C GLU A 7 11.241 -14.167 3.089 1.00 0.00 C ATOM 88 O GLU A 7 11.893 -15.197 2.924 1.00 0.00 O ATOM 89 CB GLU A 7 11.543 -13.062 5.314 1.00 0.00 C ATOM 90 CG GLU A 7 11.870 -14.419 5.915 1.00 0.00 C ATOM 91 CD GLU A 7 12.136 -14.347 7.406 1.00 0.00 C ATOM 92 OE1 GLU A 7 11.984 -13.250 7.983 1.00 0.00 O ATOM 93 OE2 GLU A 7 12.498 -15.387 7.996 1.00 0.00 O ATOM 0 H GLU A 7 10.404 -11.453 3.626 1.00 0.00 H new ATOM 0 HA GLU A 7 12.922 -12.978 3.667 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.112 -12.295 5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.488 -12.845 5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.042 -15.103 5.730 1.00 0.00 H new ATOM 0 HG3 GLU A 7 12.744 -14.833 5.413 1.00 0.00 H new ATOM 100 N ALA A 8 9.992 -14.024 2.658 1.00 0.00 N ATOM 101 CA ALA A 8 9.302 -15.094 1.948 1.00 0.00 C ATOM 102 C ALA A 8 9.992 -15.408 0.624 1.00 0.00 C ATOM 103 O ALA A 8 10.284 -16.566 0.325 1.00 0.00 O ATOM 104 CB ALA A 8 7.847 -14.718 1.710 1.00 0.00 C ATOM 0 H ALA A 8 9.437 -13.178 2.788 1.00 0.00 H new ATOM 0 HA ALA A 8 9.337 -15.989 2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.344 -15.526 1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.353 -14.551 2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.800 -13.807 1.113 1.00 0.00 H new ATOM 110 N ILE A 9 10.249 -14.370 -0.164 1.00 0.00 N ATOM 111 CA ILE A 9 10.905 -14.536 -1.455 1.00 0.00 C ATOM 112 C ILE A 9 12.309 -15.106 -1.289 1.00 0.00 C ATOM 113 O ILE A 9 12.794 -15.852 -2.141 1.00 0.00 O ATOM 114 CB ILE A 9 10.991 -13.201 -2.219 1.00 0.00 C ATOM 115 CG1 ILE A 9 9.594 -12.610 -2.416 1.00 0.00 C ATOM 116 CG2 ILE A 9 11.682 -13.402 -3.559 1.00 0.00 C ATOM 117 CD1 ILE A 9 8.683 -13.479 -3.255 1.00 0.00 C ATOM 0 H ILE A 9 10.013 -13.405 0.069 1.00 0.00 H new ATOM 0 HA ILE A 9 10.298 -15.235 -2.030 1.00 0.00 H new ATOM 0 HB ILE A 9 11.581 -12.499 -1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.134 -12.452 -1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.685 -11.632 -2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.735 -12.450 -4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.690 -13.783 -3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.117 -14.117 -4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.710 -12.998 -3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.121 -13.617 -4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.561 -14.449 -2.774 1.00 0.00 H new ATOM 129 N LYS A 10 12.959 -14.751 -0.186 1.00 0.00 N ATOM 130 CA LYS A 10 14.308 -15.228 0.095 1.00 0.00 C ATOM 131 C LYS A 10 14.613 -15.150 1.588 1.00 0.00 C ATOM 132 O LYS A 10 14.361 -14.129 2.228 1.00 0.00 O ATOM 133 CB LYS A 10 15.335 -14.409 -0.690 1.00 0.00 C ATOM 134 CG LYS A 10 15.861 -15.118 -1.926 1.00 0.00 C ATOM 135 CD LYS A 10 16.596 -16.398 -1.565 1.00 0.00 C ATOM 136 CE LYS A 10 16.099 -17.577 -2.388 1.00 0.00 C ATOM 137 NZ LYS A 10 15.013 -18.321 -1.692 1.00 0.00 N ATOM 0 H LYS A 10 12.573 -14.134 0.529 1.00 0.00 H new ATOM 0 HA LYS A 10 14.370 -16.271 -0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.882 -13.464 -0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 10 16.173 -14.168 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.032 -15.350 -2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 10 16.532 -14.453 -2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.665 -16.263 -1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.460 -16.610 -0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.735 -17.220 -3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.929 -18.253 -2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 14.888 -19.252 -2.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.266 -18.448 -0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 14.125 -17.783 -1.759 1.00 0.00 H new ATOM 151 N GLU A 11 15.156 -16.233 2.134 1.00 0.00 N ATOM 152 CA GLU A 11 15.495 -16.284 3.552 1.00 0.00 C ATOM 153 C GLU A 11 16.968 -15.948 3.771 1.00 0.00 C ATOM 154 O GLU A 11 17.592 -16.432 4.715 1.00 0.00 O ATOM 155 CB GLU A 11 15.186 -17.670 4.123 1.00 0.00 C ATOM 156 CG GLU A 11 14.927 -17.667 5.620 1.00 0.00 C ATOM 157 CD GLU A 11 15.246 -19.000 6.269 1.00 0.00 C ATOM 158 OE1 GLU A 11 14.358 -19.878 6.287 1.00 0.00 O ATOM 159 OE2 GLU A 11 16.382 -19.164 6.761 1.00 0.00 O ATOM 0 H GLU A 11 15.371 -17.086 1.617 1.00 0.00 H new ATOM 0 HA GLU A 11 14.889 -15.542 4.072 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.313 -18.078 3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.021 -18.337 3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.527 -16.886 6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.882 -17.418 5.804 1.00 0.00 H new ATOM 166 N VAL A 12 17.516 -15.116 2.892 1.00 0.00 N ATOM 167 CA VAL A 12 18.914 -14.714 2.989 1.00 0.00 C ATOM 168 C VAL A 12 19.117 -13.695 4.104 1.00 0.00 C ATOM 169 O VAL A 12 20.215 -13.559 4.645 1.00 0.00 O ATOM 170 CB VAL A 12 19.420 -14.116 1.663 1.00 0.00 C ATOM 171 CG1 VAL A 12 20.922 -13.885 1.719 1.00 0.00 C ATOM 172 CG2 VAL A 12 19.054 -15.021 0.497 1.00 0.00 C ATOM 0 H VAL A 12 17.013 -14.707 2.104 1.00 0.00 H new ATOM 0 HA VAL A 12 19.487 -15.614 3.215 1.00 0.00 H new ATOM 0 HB VAL A 12 18.935 -13.152 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 12 21.261 -13.462 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 12 21.154 -13.194 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 12 21.430 -14.833 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 12 19.419 -14.583 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 12 19.510 -16.001 0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 12 17.971 -15.129 0.446 1.00 0.00 H new ATOM 182 N LYS A 13 18.051 -12.979 4.445 1.00 0.00 N ATOM 183 CA LYS A 13 18.109 -11.972 5.498 1.00 0.00 C ATOM 184 C LYS A 13 19.152 -10.906 5.174 1.00 0.00 C ATOM 185 O LYS A 13 19.771 -10.336 6.073 1.00 0.00 O ATOM 186 CB LYS A 13 18.435 -12.627 6.842 1.00 0.00 C ATOM 187 CG LYS A 13 17.336 -13.542 7.354 1.00 0.00 C ATOM 188 CD LYS A 13 16.089 -12.759 7.731 1.00 0.00 C ATOM 189 CE LYS A 13 15.306 -13.456 8.833 1.00 0.00 C ATOM 190 NZ LYS A 13 15.980 -13.333 10.155 1.00 0.00 N ATOM 0 H LYS A 13 17.135 -13.078 4.007 1.00 0.00 H new ATOM 0 HA LYS A 13 17.132 -11.493 5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 13 19.357 -13.200 6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 13 18.621 -11.848 7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.088 -14.277 6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.696 -14.094 8.222 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.372 -11.759 8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.455 -12.638 6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.306 -13.028 8.894 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.187 -14.510 8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.317 -13.605 10.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.810 -13.959 10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.284 -12.349 10.300 1.00 0.00 H new ATOM 204 N LEU A 14 19.340 -10.642 3.886 1.00 0.00 N ATOM 205 CA LEU A 14 20.307 -9.643 3.444 1.00 0.00 C ATOM 206 C LEU A 14 20.088 -8.317 4.164 1.00 0.00 C ATOM 207 O LEU A 14 21.033 -7.565 4.403 1.00 0.00 O ATOM 208 CB LEU A 14 20.202 -9.438 1.931 1.00 0.00 C ATOM 209 CG LEU A 14 20.693 -10.596 1.061 1.00 0.00 C ATOM 210 CD1 LEU A 14 20.555 -10.251 -0.413 1.00 0.00 C ATOM 211 CD2 LEU A 14 22.136 -10.942 1.398 1.00 0.00 C ATOM 0 H LEU A 14 18.836 -11.105 3.130 1.00 0.00 H new ATOM 0 HA LEU A 14 21.305 -10.007 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.159 -9.240 1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 14 20.768 -8.545 1.665 1.00 0.00 H new ATOM 0 HG LEU A 14 20.074 -11.469 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.909 -11.086 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.508 -10.054 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.149 -9.365 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 14 22.468 -11.768 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 14 22.770 -10.073 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 14 22.205 -11.233 2.446 1.00 0.00 H new ATOM 223 N ALA A 15 18.836 -8.036 4.510 1.00 0.00 N ATOM 224 CA ALA A 15 18.493 -6.803 5.207 1.00 0.00 C ATOM 225 C ALA A 15 19.342 -6.629 6.463 1.00 0.00 C ATOM 226 O ALA A 15 19.746 -5.516 6.799 1.00 0.00 O ATOM 227 CB ALA A 15 17.014 -6.791 5.562 1.00 0.00 C ATOM 0 H ALA A 15 18.042 -8.647 4.319 1.00 0.00 H new ATOM 0 HA ALA A 15 18.702 -5.967 4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 15 16.772 -5.864 6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.420 -6.861 4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.788 -7.639 6.208 1.00 0.00 H new ATOM 233 N GLU A 16 19.607 -7.735 7.151 1.00 0.00 N ATOM 234 CA GLU A 16 20.406 -7.702 8.370 1.00 0.00 C ATOM 235 C GLU A 16 21.785 -7.107 8.101 1.00 0.00 C ATOM 236 O GLU A 16 22.363 -6.443 8.960 1.00 0.00 O ATOM 237 CB GLU A 16 20.551 -9.111 8.949 1.00 0.00 C ATOM 238 CG GLU A 16 19.224 -9.811 9.186 1.00 0.00 C ATOM 239 CD GLU A 16 18.521 -9.321 10.438 1.00 0.00 C ATOM 240 OE1 GLU A 16 19.093 -8.464 11.143 1.00 0.00 O ATOM 241 OE2 GLU A 16 17.398 -9.795 10.711 1.00 0.00 O ATOM 0 H GLU A 16 19.280 -8.664 6.885 1.00 0.00 H new ATOM 0 HA GLU A 16 19.892 -7.070 9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 16 21.154 -9.714 8.270 1.00 0.00 H new ATOM 0 HB3 GLU A 16 21.095 -9.053 9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.575 -9.653 8.324 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.393 -10.885 9.265 1.00 0.00 H new ATOM 248 N GLU A 17 22.304 -7.350 6.901 1.00 0.00 N ATOM 249 CA GLU A 17 23.616 -6.839 6.520 1.00 0.00 C ATOM 250 C GLU A 17 23.658 -5.317 6.625 1.00 0.00 C ATOM 251 O GLU A 17 24.722 -4.728 6.816 1.00 0.00 O ATOM 252 CB GLU A 17 23.961 -7.272 5.093 1.00 0.00 C ATOM 253 CG GLU A 17 25.452 -7.266 4.800 1.00 0.00 C ATOM 254 CD GLU A 17 25.810 -8.097 3.583 1.00 0.00 C ATOM 255 OE1 GLU A 17 25.227 -7.853 2.506 1.00 0.00 O ATOM 256 OE2 GLU A 17 26.673 -8.991 3.707 1.00 0.00 O ATOM 0 H GLU A 17 21.837 -7.896 6.177 1.00 0.00 H new ATOM 0 HA GLU A 17 24.353 -7.254 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 17 23.569 -8.275 4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 17 23.458 -6.609 4.389 1.00 0.00 H new ATOM 0 HG2 GLU A 17 25.784 -6.239 4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 17 25.991 -7.648 5.667 1.00 0.00 H new ATOM 263 N GLN A 18 22.494 -4.689 6.499 1.00 0.00 N ATOM 264 CA GLN A 18 22.399 -3.236 6.579 1.00 0.00 C ATOM 265 C GLN A 18 22.465 -2.765 8.028 1.00 0.00 C ATOM 266 O GLN A 18 22.926 -1.659 8.311 1.00 0.00 O ATOM 267 CB GLN A 18 21.100 -2.753 5.932 1.00 0.00 C ATOM 268 CG GLN A 18 20.923 -3.222 4.497 1.00 0.00 C ATOM 269 CD GLN A 18 19.603 -2.780 3.896 1.00 0.00 C ATOM 270 OE1 GLN A 18 18.601 -2.651 4.599 1.00 0.00 O ATOM 271 NE2 GLN A 18 19.596 -2.545 2.589 1.00 0.00 N ATOM 0 H GLN A 18 21.604 -5.162 6.341 1.00 0.00 H new ATOM 0 HA GLN A 18 23.246 -2.811 6.039 1.00 0.00 H new ATOM 0 HB2 GLN A 18 20.256 -3.103 6.526 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.076 -1.664 5.955 1.00 0.00 H new ATOM 0 HG2 GLN A 18 21.742 -2.836 3.889 1.00 0.00 H new ATOM 0 HG3 GLN A 18 20.987 -4.310 4.464 1.00 0.00 H new ATOM 0 HE21 GLN A 18 20.450 -2.665 2.045 1.00 0.00 H new ATOM 0 HE22 GLN A 18 18.736 -2.245 2.129 1.00 0.00 H new ATOM 280 N ALA A 19 22.001 -3.611 8.942 1.00 0.00 N ATOM 281 CA ALA A 19 22.009 -3.281 10.361 1.00 0.00 C ATOM 282 C ALA A 19 23.399 -3.468 10.960 1.00 0.00 C ATOM 283 O ALA A 19 23.773 -2.785 11.914 1.00 0.00 O ATOM 284 CB ALA A 19 20.993 -4.133 11.107 1.00 0.00 C ATOM 0 H ALA A 19 21.615 -4.530 8.725 1.00 0.00 H new ATOM 0 HA ALA A 19 21.734 -2.231 10.466 1.00 0.00 H new ATOM 0 HB1 ALA A 19 21.010 -3.876 12.166 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.997 -3.948 10.704 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.243 -5.187 10.986 1.00 0.00 H new ATOM 290 N VAL A 20 24.162 -4.399 10.395 1.00 0.00 N ATOM 291 CA VAL A 20 25.511 -4.675 10.873 1.00 0.00 C ATOM 292 C VAL A 20 26.520 -3.713 10.258 1.00 0.00 C ATOM 293 O VAL A 20 27.502 -3.333 10.896 1.00 0.00 O ATOM 294 CB VAL A 20 25.935 -6.121 10.552 1.00 0.00 C ATOM 295 CG1 VAL A 20 25.012 -7.114 11.241 1.00 0.00 C ATOM 296 CG2 VAL A 20 25.950 -6.349 9.048 1.00 0.00 C ATOM 0 H VAL A 20 23.868 -4.975 9.606 1.00 0.00 H new ATOM 0 HA VAL A 20 25.497 -4.539 11.954 1.00 0.00 H new ATOM 0 HB VAL A 20 26.945 -6.278 10.931 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.327 -8.130 11.002 1.00 0.00 H new ATOM 0 HG12 VAL A 20 25.057 -6.964 12.320 1.00 0.00 H new ATOM 0 HG13 VAL A 20 23.990 -6.961 10.895 1.00 0.00 H new ATOM 0 HG21 VAL A 20 26.252 -7.375 8.839 1.00 0.00 H new ATOM 0 HG22 VAL A 20 24.953 -6.174 8.644 1.00 0.00 H new ATOM 0 HG23 VAL A 20 26.656 -5.661 8.583 1.00 0.00 H new ATOM 306 N LYS A 21 26.272 -3.320 9.013 1.00 0.00 N ATOM 307 CA LYS A 21 27.157 -2.400 8.309 1.00 0.00 C ATOM 308 C LYS A 21 26.936 -0.966 8.780 1.00 0.00 C ATOM 309 O LYS A 21 27.848 -0.141 8.734 1.00 0.00 O ATOM 310 CB LYS A 21 26.928 -2.493 6.799 1.00 0.00 C ATOM 311 CG LYS A 21 28.147 -2.116 5.974 1.00 0.00 C ATOM 312 CD LYS A 21 29.232 -3.174 6.068 1.00 0.00 C ATOM 313 CE LYS A 21 28.908 -4.384 5.204 1.00 0.00 C ATOM 314 NZ LYS A 21 29.565 -5.620 5.711 1.00 0.00 N ATOM 0 H LYS A 21 25.464 -3.625 8.470 1.00 0.00 H new ATOM 0 HA LYS A 21 28.186 -2.683 8.532 1.00 0.00 H new ATOM 0 HB2 LYS A 21 26.630 -3.511 6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 21 26.099 -1.841 6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 21 27.856 -1.984 4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 21 28.539 -1.159 6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 21 30.185 -2.748 5.756 1.00 0.00 H new ATOM 0 HD3 LYS A 21 29.347 -3.487 7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 21 27.828 -4.532 5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 21 29.230 -4.196 4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 29.319 -6.421 5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 30.597 -5.489 5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 29.238 -5.815 6.679 1.00 0.00 H new ATOM 328 N GLU A 22 25.721 -0.677 9.234 1.00 0.00 N ATOM 329 CA GLU A 22 25.382 0.657 9.714 1.00 0.00 C ATOM 330 C GLU A 22 25.909 0.877 11.129 1.00 0.00 C ATOM 331 O GLU A 22 26.299 1.986 11.492 1.00 0.00 O ATOM 332 CB GLU A 22 23.866 0.865 9.684 1.00 0.00 C ATOM 333 CG GLU A 22 23.129 0.124 10.787 1.00 0.00 C ATOM 334 CD GLU A 22 21.637 0.396 10.776 1.00 0.00 C ATOM 335 OE1 GLU A 22 21.023 0.293 9.694 1.00 0.00 O ATOM 336 OE2 GLU A 22 21.084 0.710 11.851 1.00 0.00 O ATOM 0 H GLU A 22 24.955 -1.349 9.279 1.00 0.00 H new ATOM 0 HA GLU A 22 25.854 1.383 9.052 1.00 0.00 H new ATOM 0 HB2 GLU A 22 23.652 1.931 9.768 1.00 0.00 H new ATOM 0 HB3 GLU A 22 23.482 0.538 8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 22 23.300 -0.947 10.677 1.00 0.00 H new ATOM 0 HG3 GLU A 22 23.541 0.415 11.753 1.00 0.00 H new ATOM 343 N ILE A 23 25.915 -0.189 11.923 1.00 0.00 N ATOM 344 CA ILE A 23 26.394 -0.113 13.298 1.00 0.00 C ATOM 345 C ILE A 23 27.905 -0.305 13.365 1.00 0.00 C ATOM 346 O ILE A 23 28.576 0.271 14.220 1.00 0.00 O ATOM 347 CB ILE A 23 25.714 -1.169 14.190 1.00 0.00 C ATOM 348 CG1 ILE A 23 26.047 -2.578 13.695 1.00 0.00 C ATOM 349 CG2 ILE A 23 24.208 -0.952 14.213 1.00 0.00 C ATOM 350 CD1 ILE A 23 27.261 -3.182 14.366 1.00 0.00 C ATOM 0 H ILE A 23 25.594 -1.114 11.638 1.00 0.00 H new ATOM 0 HA ILE A 23 26.140 0.881 13.666 1.00 0.00 H new ATOM 0 HB ILE A 23 26.093 -1.063 15.207 1.00 0.00 H new ATOM 0 HG12 ILE A 23 25.188 -3.227 13.865 1.00 0.00 H new ATOM 0 HG13 ILE A 23 26.215 -2.546 12.618 1.00 0.00 H new ATOM 0 HG21 ILE A 23 23.741 -1.706 14.847 1.00 0.00 H new ATOM 0 HG22 ILE A 23 23.989 0.040 14.608 1.00 0.00 H new ATOM 0 HG23 ILE A 23 23.813 -1.035 13.200 1.00 0.00 H new ATOM 0 HD11 ILE A 23 27.438 -4.181 13.967 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.132 -2.555 14.175 1.00 0.00 H new ATOM 0 HD13 ILE A 23 27.089 -3.246 15.440 1.00 0.00 H new ATOM 362 N GLU A 24 28.434 -1.117 12.454 1.00 0.00 N ATOM 363 CA GLU A 24 29.867 -1.384 12.410 1.00 0.00 C ATOM 364 C GLU A 24 30.658 -0.086 12.268 1.00 0.00 C ATOM 365 O GLU A 24 31.646 0.130 12.969 1.00 0.00 O ATOM 366 CB GLU A 24 30.198 -2.324 11.250 1.00 0.00 C ATOM 367 CG GLU A 24 31.688 -2.540 11.047 1.00 0.00 C ATOM 368 CD GLU A 24 32.345 -3.226 12.229 1.00 0.00 C ATOM 369 OE1 GLU A 24 31.611 -3.766 13.083 1.00 0.00 O ATOM 370 OE2 GLU A 24 33.591 -3.222 12.301 1.00 0.00 O ATOM 0 H GLU A 24 27.892 -1.600 11.738 1.00 0.00 H new ATOM 0 HA GLU A 24 30.150 -1.862 13.348 1.00 0.00 H new ATOM 0 HB2 GLU A 24 29.721 -3.288 11.427 1.00 0.00 H new ATOM 0 HB3 GLU A 24 29.770 -1.920 10.333 1.00 0.00 H new ATOM 0 HG2 GLU A 24 31.845 -3.140 10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 24 32.171 -1.578 10.876 1.00 0.00 H new ATOM 377 N GLU A 25 30.215 0.773 11.356 1.00 0.00 N ATOM 378 CA GLU A 25 30.882 2.048 11.121 1.00 0.00 C ATOM 379 C GLU A 25 31.054 2.821 12.426 1.00 0.00 C ATOM 380 O GLU A 25 32.041 3.532 12.613 1.00 0.00 O ATOM 381 CB GLU A 25 30.087 2.889 10.119 1.00 0.00 C ATOM 382 CG GLU A 25 30.771 4.191 9.739 1.00 0.00 C ATOM 383 CD GLU A 25 31.892 3.990 8.737 1.00 0.00 C ATOM 384 OE1 GLU A 25 32.356 2.840 8.590 1.00 0.00 O ATOM 385 OE2 GLU A 25 32.304 4.982 8.100 1.00 0.00 O ATOM 0 H GLU A 25 29.398 0.609 10.768 1.00 0.00 H new ATOM 0 HA GLU A 25 31.869 1.841 10.708 1.00 0.00 H new ATOM 0 HB2 GLU A 25 29.918 2.301 9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 25 29.108 3.113 10.542 1.00 0.00 H new ATOM 0 HG2 GLU A 25 30.033 4.876 9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 25 31.171 4.662 10.637 1.00 0.00 H new ATOM 392 N ALA A 26 30.087 2.675 13.325 1.00 0.00 N ATOM 393 CA ALA A 26 30.131 3.357 14.612 1.00 0.00 C ATOM 394 C ALA A 26 31.410 3.017 15.370 1.00 0.00 C ATOM 395 O ALA A 26 32.020 3.881 16.000 1.00 0.00 O ATOM 396 CB ALA A 26 28.910 2.994 15.444 1.00 0.00 C ATOM 0 H ALA A 26 29.263 2.090 13.186 1.00 0.00 H new ATOM 0 HA ALA A 26 30.124 4.431 14.426 1.00 0.00 H new ATOM 0 HB1 ALA A 26 28.956 3.511 16.403 1.00 0.00 H new ATOM 0 HB2 ALA A 26 28.006 3.294 14.914 1.00 0.00 H new ATOM 0 HB3 ALA A 26 28.892 1.917 15.613 1.00 0.00 H new ATOM 402 N LYS A 27 31.811 1.752 15.306 1.00 0.00 N ATOM 403 CA LYS A 27 33.018 1.296 15.985 1.00 0.00 C ATOM 404 C LYS A 27 34.267 1.714 15.215 1.00 0.00 C ATOM 405 O LYS A 27 35.246 2.171 15.803 1.00 0.00 O ATOM 406 CB LYS A 27 32.993 -0.225 16.149 1.00 0.00 C ATOM 407 CG LYS A 27 33.806 -0.724 17.331 1.00 0.00 C ATOM 408 CD LYS A 27 35.246 -1.008 16.936 1.00 0.00 C ATOM 409 CE LYS A 27 35.421 -2.444 16.465 1.00 0.00 C ATOM 410 NZ LYS A 27 35.197 -2.578 14.999 1.00 0.00 N ATOM 0 H LYS A 27 31.317 1.024 14.790 1.00 0.00 H new ATOM 0 HA LYS A 27 33.047 1.761 16.970 1.00 0.00 H new ATOM 0 HB2 LYS A 27 31.960 -0.552 16.266 1.00 0.00 H new ATOM 0 HB3 LYS A 27 33.373 -0.686 15.237 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.786 0.020 18.128 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.351 -1.631 17.730 1.00 0.00 H new ATOM 0 HD2 LYS A 27 35.549 -0.324 16.143 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.902 -0.820 17.786 1.00 0.00 H new ATOM 0 HE2 LYS A 27 36.426 -2.787 16.712 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.724 -3.089 16.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.669 -3.438 14.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 34.177 -2.643 14.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 35.589 -1.748 14.511 1.00 0.00 H new ATOM 424 N ASN A 28 34.223 1.556 13.896 1.00 0.00 N ATOM 425 CA ASN A 28 35.351 1.918 13.045 1.00 0.00 C ATOM 426 C ASN A 28 35.779 3.361 13.295 1.00 0.00 C ATOM 427 O ASN A 28 36.963 3.646 13.476 1.00 0.00 O ATOM 428 CB ASN A 28 34.986 1.730 11.572 1.00 0.00 C ATOM 429 CG ASN A 28 35.669 0.524 10.956 1.00 0.00 C ATOM 430 OD1 ASN A 28 36.209 0.599 9.852 1.00 0.00 O ATOM 431 ND2 ASN A 28 35.648 -0.596 11.669 1.00 0.00 N ATOM 0 H ASN A 28 33.419 1.180 13.393 1.00 0.00 H new ATOM 0 HA ASN A 28 36.186 1.262 13.292 1.00 0.00 H new ATOM 0 HB2 ASN A 28 33.906 1.619 11.480 1.00 0.00 H new ATOM 0 HB3 ASN A 28 35.263 2.625 11.015 1.00 0.00 H new ATOM 0 HD21 ASN A 28 36.091 -1.440 11.306 1.00 0.00 H new ATOM 0 HD22 ASN A 28 35.189 -0.612 12.580 1.00 0.00 H new ATOM 438 N ARG A 29 34.807 4.268 13.304 1.00 0.00 N ATOM 439 CA ARG A 29 35.083 5.681 13.531 1.00 0.00 C ATOM 440 C ARG A 29 35.787 5.890 14.868 1.00 0.00 C ATOM 441 O ARG A 29 36.461 6.899 15.076 1.00 0.00 O ATOM 442 CB ARG A 29 33.784 6.488 13.494 1.00 0.00 C ATOM 443 CG ARG A 29 32.964 6.265 12.234 1.00 0.00 C ATOM 444 CD ARG A 29 33.044 7.461 11.298 1.00 0.00 C ATOM 445 NE ARG A 29 31.830 8.272 11.341 1.00 0.00 N ATOM 446 CZ ARG A 29 31.555 9.230 10.463 1.00 0.00 C ATOM 447 NH1 ARG A 29 32.403 9.495 9.479 1.00 0.00 N ATOM 448 NH2 ARG A 29 30.430 9.925 10.568 1.00 0.00 N ATOM 0 H ARG A 29 33.822 4.049 13.157 1.00 0.00 H new ATOM 0 HA ARG A 29 35.742 6.029 12.736 1.00 0.00 H new ATOM 0 HB2 ARG A 29 33.179 6.226 14.362 1.00 0.00 H new ATOM 0 HB3 ARG A 29 34.022 7.548 13.579 1.00 0.00 H new ATOM 0 HG2 ARG A 29 33.322 5.374 11.719 1.00 0.00 H new ATOM 0 HG3 ARG A 29 31.924 6.081 12.503 1.00 0.00 H new ATOM 0 HD2 ARG A 29 33.901 8.077 11.569 1.00 0.00 H new ATOM 0 HD3 ARG A 29 33.212 7.113 10.279 1.00 0.00 H new ATOM 0 HE ARG A 29 31.157 8.093 12.086 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.269 8.963 9.395 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.189 10.231 8.806 1.00 0.00 H new ATOM 0 HH21 ARG A 29 29.775 9.724 11.324 1.00 0.00 H new ATOM 0 HH22 ARG A 29 30.220 10.660 9.893 1.00 0.00 H new ATOM 462 N ALA A 30 35.624 4.930 15.773 1.00 0.00 N ATOM 463 CA ALA A 30 36.245 5.008 17.089 1.00 0.00 C ATOM 464 C ALA A 30 37.739 4.715 17.010 1.00 0.00 C ATOM 465 O ALA A 30 38.527 5.248 17.791 1.00 0.00 O ATOM 466 CB ALA A 30 35.566 4.043 18.051 1.00 0.00 C ATOM 0 H ALA A 30 35.067 4.090 15.618 1.00 0.00 H new ATOM 0 HA ALA A 30 36.120 6.024 17.462 1.00 0.00 H new ATOM 0 HB1 ALA A 30 36.040 4.112 19.030 1.00 0.00 H new ATOM 0 HB2 ALA A 30 34.511 4.300 18.140 1.00 0.00 H new ATOM 0 HB3 ALA A 30 35.661 3.025 17.673 1.00 0.00 H new ATOM 472 N GLU A 31 38.121 3.863 16.064 1.00 0.00 N ATOM 473 CA GLU A 31 39.522 3.499 15.885 1.00 0.00 C ATOM 474 C GLU A 31 40.283 4.604 15.159 1.00 0.00 C ATOM 475 O GLU A 31 41.504 4.709 15.274 1.00 0.00 O ATOM 476 CB GLU A 31 39.635 2.188 15.104 1.00 0.00 C ATOM 477 CG GLU A 31 39.717 2.382 13.599 1.00 0.00 C ATOM 478 CD GLU A 31 41.146 2.481 13.100 1.00 0.00 C ATOM 479 OE1 GLU A 31 42.028 1.823 13.691 1.00 0.00 O ATOM 480 OE2 GLU A 31 41.382 3.217 12.119 1.00 0.00 O ATOM 0 H GLU A 31 37.481 3.412 15.410 1.00 0.00 H new ATOM 0 HA GLU A 31 39.965 3.365 16.872 1.00 0.00 H new ATOM 0 HB2 GLU A 31 40.520 1.649 15.441 1.00 0.00 H new ATOM 0 HB3 GLU A 31 38.773 1.562 15.335 1.00 0.00 H new ATOM 0 HG2 GLU A 31 39.219 1.550 13.102 1.00 0.00 H new ATOM 0 HG3 GLU A 31 39.176 3.287 13.323 1.00 0.00 H new ATOM 487 N GLN A 32 39.553 5.425 14.411 1.00 0.00 N ATOM 488 CA GLN A 32 40.159 6.521 13.665 1.00 0.00 C ATOM 489 C GLN A 32 40.936 7.448 14.595 1.00 0.00 C ATOM 490 O GLN A 32 41.883 8.114 14.174 1.00 0.00 O ATOM 491 CB GLN A 32 39.085 7.313 12.918 1.00 0.00 C ATOM 492 CG GLN A 32 38.467 6.552 11.756 1.00 0.00 C ATOM 493 CD GLN A 32 39.498 6.094 10.744 1.00 0.00 C ATOM 494 OE1 GLN A 32 39.474 4.949 10.291 1.00 0.00 O ATOM 495 NE2 GLN A 32 40.411 6.987 10.382 1.00 0.00 N ATOM 0 H GLN A 32 38.541 5.352 14.306 1.00 0.00 H new ATOM 0 HA GLN A 32 40.854 6.094 12.942 1.00 0.00 H new ATOM 0 HB2 GLN A 32 38.298 7.592 13.618 1.00 0.00 H new ATOM 0 HB3 GLN A 32 39.522 8.239 12.544 1.00 0.00 H new ATOM 0 HG2 GLN A 32 37.930 5.685 12.139 1.00 0.00 H new ATOM 0 HG3 GLN A 32 37.734 7.187 11.260 1.00 0.00 H new ATOM 0 HE21 GLN A 32 40.394 7.925 10.782 1.00 0.00 H new ATOM 0 HE22 GLN A 32 41.130 6.735 9.703 1.00 0.00 H new ATOM 504 N ILE A 33 40.529 7.486 15.859 1.00 0.00 N ATOM 505 CA ILE A 33 41.188 8.331 16.848 1.00 0.00 C ATOM 506 C ILE A 33 42.316 7.581 17.548 1.00 0.00 C ATOM 507 O ILE A 33 43.440 8.074 17.642 1.00 0.00 O ATOM 508 CB ILE A 33 40.192 8.841 17.906 1.00 0.00 C ATOM 509 CG1 ILE A 33 39.063 9.628 17.238 1.00 0.00 C ATOM 510 CG2 ILE A 33 40.908 9.702 18.936 1.00 0.00 C ATOM 511 CD1 ILE A 33 37.888 8.768 16.827 1.00 0.00 C ATOM 0 H ILE A 33 39.747 6.942 16.223 1.00 0.00 H new ATOM 0 HA ILE A 33 41.601 9.184 16.309 1.00 0.00 H new ATOM 0 HB ILE A 33 39.757 7.982 18.418 1.00 0.00 H new ATOM 0 HG12 ILE A 33 38.715 10.401 17.923 1.00 0.00 H new ATOM 0 HG13 ILE A 33 39.457 10.136 16.358 1.00 0.00 H new ATOM 0 HG21 ILE A 33 40.191 10.055 19.677 1.00 0.00 H new ATOM 0 HG22 ILE A 33 41.680 9.112 19.430 1.00 0.00 H new ATOM 0 HG23 ILE A 33 41.367 10.557 18.440 1.00 0.00 H new ATOM 0 HD11 ILE A 33 37.126 9.392 16.360 1.00 0.00 H new ATOM 0 HD12 ILE A 33 38.222 8.011 16.117 1.00 0.00 H new ATOM 0 HD13 ILE A 33 37.469 8.280 17.707 1.00 0.00 H new ATOM 523 N LYS A 34 42.010 6.384 18.036 1.00 0.00 N ATOM 524 CA LYS A 34 42.998 5.562 18.725 1.00 0.00 C ATOM 525 C LYS A 34 44.173 5.241 17.808 1.00 0.00 C ATOM 526 O LYS A 34 45.289 5.006 18.272 1.00 0.00 O ATOM 527 CB LYS A 34 42.355 4.265 19.221 1.00 0.00 C ATOM 528 CG LYS A 34 41.058 4.480 19.981 1.00 0.00 C ATOM 529 CD LYS A 34 40.572 3.195 20.630 1.00 0.00 C ATOM 530 CE LYS A 34 39.523 3.472 21.696 1.00 0.00 C ATOM 531 NZ LYS A 34 40.139 3.737 23.026 1.00 0.00 N ATOM 0 H LYS A 34 41.084 5.961 17.967 1.00 0.00 H new ATOM 0 HA LYS A 34 43.371 6.126 19.580 1.00 0.00 H new ATOM 0 HB2 LYS A 34 42.162 3.615 18.367 1.00 0.00 H new ATOM 0 HB3 LYS A 34 43.062 3.743 19.866 1.00 0.00 H new ATOM 0 HG2 LYS A 34 41.206 5.242 20.746 1.00 0.00 H new ATOM 0 HG3 LYS A 34 40.294 4.856 19.300 1.00 0.00 H new ATOM 0 HD2 LYS A 34 40.154 2.537 19.868 1.00 0.00 H new ATOM 0 HD3 LYS A 34 41.416 2.670 21.076 1.00 0.00 H new ATOM 0 HE2 LYS A 34 38.920 4.330 21.398 1.00 0.00 H new ATOM 0 HE3 LYS A 34 38.848 2.619 21.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 39.391 3.921 23.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 40.694 2.909 23.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 40.763 4.566 22.960 1.00 0.00 H new ATOM 545 N ALA A 35 43.916 5.234 16.504 1.00 0.00 N ATOM 546 CA ALA A 35 44.954 4.946 15.522 1.00 0.00 C ATOM 547 C ALA A 35 46.125 5.913 15.660 1.00 0.00 C ATOM 548 O ALA A 35 47.269 5.560 15.375 1.00 0.00 O ATOM 549 CB ALA A 35 44.380 5.007 14.114 1.00 0.00 C ATOM 0 H ALA A 35 42.998 5.425 16.103 1.00 0.00 H new ATOM 0 HA ALA A 35 45.325 3.938 15.708 1.00 0.00 H new ATOM 0 HB1 ALA A 35 45.166 4.790 13.391 1.00 0.00 H new ATOM 0 HB2 ALA A 35 43.582 4.271 14.014 1.00 0.00 H new ATOM 0 HB3 ALA A 35 43.980 6.004 13.927 1.00 0.00 H new ATOM 555 N GLU A 36 45.831 7.133 16.099 1.00 0.00 N ATOM 556 CA GLU A 36 46.860 8.150 16.274 1.00 0.00 C ATOM 557 C GLU A 36 48.003 7.625 17.139 1.00 0.00 C ATOM 558 O GLU A 36 49.166 7.964 16.922 1.00 0.00 O ATOM 559 CB GLU A 36 46.263 9.408 16.907 1.00 0.00 C ATOM 560 CG GLU A 36 45.214 10.086 16.042 1.00 0.00 C ATOM 561 CD GLU A 36 44.450 11.163 16.788 1.00 0.00 C ATOM 562 OE1 GLU A 36 43.975 10.886 17.909 1.00 0.00 O ATOM 563 OE2 GLU A 36 44.327 12.283 16.249 1.00 0.00 O ATOM 0 H GLU A 36 44.889 7.440 16.340 1.00 0.00 H new ATOM 0 HA GLU A 36 47.257 8.401 15.290 1.00 0.00 H new ATOM 0 HB2 GLU A 36 45.816 9.145 17.866 1.00 0.00 H new ATOM 0 HB3 GLU A 36 47.065 10.117 17.113 1.00 0.00 H new ATOM 0 HG2 GLU A 36 45.697 10.526 15.170 1.00 0.00 H new ATOM 0 HG3 GLU A 36 44.513 9.337 15.674 1.00 0.00 H new ATOM 570 N ALA A 37 47.661 6.796 18.120 1.00 0.00 N ATOM 571 CA ALA A 37 48.657 6.223 19.017 1.00 0.00 C ATOM 572 C ALA A 37 49.525 5.200 18.292 1.00 0.00 C ATOM 573 O ALA A 37 50.698 5.022 18.622 1.00 0.00 O ATOM 574 CB ALA A 37 47.979 5.586 20.221 1.00 0.00 C ATOM 0 H ALA A 37 46.702 6.506 18.314 1.00 0.00 H new ATOM 0 HA ALA A 37 49.304 7.029 19.363 1.00 0.00 H new ATOM 0 HB1 ALA A 37 48.735 5.162 20.882 1.00 0.00 H new ATOM 0 HB2 ALA A 37 47.409 6.343 20.760 1.00 0.00 H new ATOM 0 HB3 ALA A 37 47.307 4.796 19.885 1.00 0.00 H new ATOM 580 N ILE A 38 48.940 4.530 17.305 1.00 0.00 N ATOM 581 CA ILE A 38 49.661 3.524 16.534 1.00 0.00 C ATOM 582 C ILE A 38 50.444 4.164 15.392 1.00 0.00 C ATOM 583 O ILE A 38 51.417 3.595 14.900 1.00 0.00 O ATOM 584 CB ILE A 38 48.703 2.466 15.955 1.00 0.00 C ATOM 585 CG1 ILE A 38 47.956 1.751 17.083 1.00 0.00 C ATOM 586 CG2 ILE A 38 49.472 1.465 15.104 1.00 0.00 C ATOM 587 CD1 ILE A 38 46.476 2.061 17.118 1.00 0.00 C ATOM 0 H ILE A 38 47.970 4.665 17.020 1.00 0.00 H new ATOM 0 HA ILE A 38 50.355 3.038 17.220 1.00 0.00 H new ATOM 0 HB ILE A 38 47.972 2.967 15.321 1.00 0.00 H new ATOM 0 HG12 ILE A 38 48.091 0.675 16.973 1.00 0.00 H new ATOM 0 HG13 ILE A 38 48.401 2.032 18.038 1.00 0.00 H new ATOM 0 HG21 ILE A 38 48.782 0.723 14.702 1.00 0.00 H new ATOM 0 HG22 ILE A 38 49.963 1.987 14.283 1.00 0.00 H new ATOM 0 HG23 ILE A 38 50.223 0.967 15.718 1.00 0.00 H new ATOM 0 HD11 ILE A 38 46.010 1.520 17.942 1.00 0.00 H new ATOM 0 HD12 ILE A 38 46.332 3.132 17.259 1.00 0.00 H new ATOM 0 HD13 ILE A 38 46.018 1.754 16.178 1.00 0.00 H new ATOM 599 N GLU A 39 50.012 5.351 14.978 1.00 0.00 N ATOM 600 CA GLU A 39 50.674 6.068 13.894 1.00 0.00 C ATOM 601 C GLU A 39 52.143 6.314 14.223 1.00 0.00 C ATOM 602 O GLU A 39 52.957 6.552 13.331 1.00 0.00 O ATOM 603 CB GLU A 39 49.969 7.400 13.630 1.00 0.00 C ATOM 604 CG GLU A 39 48.804 7.291 12.661 1.00 0.00 C ATOM 605 CD GLU A 39 48.458 8.617 12.011 1.00 0.00 C ATOM 606 OE1 GLU A 39 49.300 9.144 11.255 1.00 0.00 O ATOM 607 OE2 GLU A 39 47.346 9.126 12.259 1.00 0.00 O ATOM 0 H GLU A 39 49.208 5.836 15.376 1.00 0.00 H new ATOM 0 HA GLU A 39 50.619 5.452 12.997 1.00 0.00 H new ATOM 0 HB2 GLU A 39 49.607 7.804 14.576 1.00 0.00 H new ATOM 0 HB3 GLU A 39 50.693 8.113 13.235 1.00 0.00 H new ATOM 0 HG2 GLU A 39 49.048 6.564 11.886 1.00 0.00 H new ATOM 0 HG3 GLU A 39 47.930 6.912 13.191 1.00 0.00 H new ATOM 614 N GLU A 40 52.474 6.255 15.509 1.00 0.00 N ATOM 615 CA GLU A 40 53.846 6.473 15.955 1.00 0.00 C ATOM 616 C GLU A 40 54.710 5.247 15.674 1.00 0.00 C ATOM 617 O GLU A 40 55.861 5.368 15.257 1.00 0.00 O ATOM 618 CB GLU A 40 53.874 6.799 17.449 1.00 0.00 C ATOM 619 CG GLU A 40 55.275 6.985 18.005 1.00 0.00 C ATOM 620 CD GLU A 40 55.282 7.696 19.345 1.00 0.00 C ATOM 621 OE1 GLU A 40 54.259 7.626 20.058 1.00 0.00 O ATOM 622 OE2 GLU A 40 56.309 8.322 19.680 1.00 0.00 O ATOM 0 H GLU A 40 51.812 6.058 16.260 1.00 0.00 H new ATOM 0 HA GLU A 40 54.252 7.318 15.399 1.00 0.00 H new ATOM 0 HB2 GLU A 40 53.299 7.708 17.625 1.00 0.00 H new ATOM 0 HB3 GLU A 40 53.378 5.997 17.997 1.00 0.00 H new ATOM 0 HG2 GLU A 40 55.751 6.011 18.113 1.00 0.00 H new ATOM 0 HG3 GLU A 40 55.872 7.555 17.293 1.00 0.00 H new ATOM 629 N ALA A 41 54.146 4.066 15.907 1.00 0.00 N ATOM 630 CA ALA A 41 54.863 2.818 15.679 1.00 0.00 C ATOM 631 C ALA A 41 55.377 2.735 14.245 1.00 0.00 C ATOM 632 O ALA A 41 56.367 2.058 13.968 1.00 0.00 O ATOM 633 CB ALA A 41 53.966 1.629 15.989 1.00 0.00 C ATOM 0 H ALA A 41 53.194 3.948 16.254 1.00 0.00 H new ATOM 0 HA ALA A 41 55.723 2.794 16.348 1.00 0.00 H new ATOM 0 HB1 ALA A 41 54.515 0.704 15.814 1.00 0.00 H new ATOM 0 HB2 ALA A 41 53.651 1.673 17.032 1.00 0.00 H new ATOM 0 HB3 ALA A 41 53.088 1.657 15.344 1.00 0.00 H new ATOM 639 N LYS A 42 54.698 3.427 13.337 1.00 0.00 N ATOM 640 CA LYS A 42 55.085 3.432 11.931 1.00 0.00 C ATOM 641 C LYS A 42 56.498 3.980 11.759 1.00 0.00 C ATOM 642 O LYS A 42 57.316 3.403 11.041 1.00 0.00 O ATOM 643 CB LYS A 42 54.099 4.269 11.112 1.00 0.00 C ATOM 644 CG LYS A 42 52.814 3.533 10.772 1.00 0.00 C ATOM 645 CD LYS A 42 53.064 2.397 9.794 1.00 0.00 C ATOM 646 CE LYS A 42 51.899 2.223 8.832 1.00 0.00 C ATOM 647 NZ LYS A 42 51.247 0.894 8.986 1.00 0.00 N ATOM 0 H LYS A 42 53.876 3.992 13.550 1.00 0.00 H new ATOM 0 HA LYS A 42 55.066 2.404 11.571 1.00 0.00 H new ATOM 0 HB2 LYS A 42 53.854 5.174 11.668 1.00 0.00 H new ATOM 0 HB3 LYS A 42 54.583 4.584 10.188 1.00 0.00 H new ATOM 0 HG2 LYS A 42 52.368 3.137 11.684 1.00 0.00 H new ATOM 0 HG3 LYS A 42 52.096 4.232 10.343 1.00 0.00 H new ATOM 0 HD2 LYS A 42 53.976 2.595 9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 42 53.224 1.470 10.345 1.00 0.00 H new ATOM 0 HE2 LYS A 42 51.165 3.010 9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 42 52.254 2.337 7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 50.458 0.814 8.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 51.941 0.143 8.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 50.886 0.795 9.956 1.00 0.00 H new ATOM 661 N LYS A 43 56.780 5.096 12.422 1.00 0.00 N ATOM 662 CA LYS A 43 58.096 5.721 12.344 1.00 0.00 C ATOM 663 C LYS A 43 59.191 4.733 12.732 1.00 0.00 C ATOM 664 O LYS A 43 60.248 4.683 12.101 1.00 0.00 O ATOM 665 CB LYS A 43 58.155 6.948 13.257 1.00 0.00 C ATOM 666 CG LYS A 43 57.675 8.226 12.590 1.00 0.00 C ATOM 667 CD LYS A 43 58.689 8.743 11.583 1.00 0.00 C ATOM 668 CE LYS A 43 59.782 9.555 12.260 1.00 0.00 C ATOM 669 NZ LYS A 43 59.283 10.878 12.726 1.00 0.00 N ATOM 0 H LYS A 43 56.115 5.587 13.020 1.00 0.00 H new ATOM 0 HA LYS A 43 58.262 6.034 11.313 1.00 0.00 H new ATOM 0 HB2 LYS A 43 57.549 6.761 14.143 1.00 0.00 H new ATOM 0 HB3 LYS A 43 59.181 7.089 13.597 1.00 0.00 H new ATOM 0 HG2 LYS A 43 56.725 8.042 12.089 1.00 0.00 H new ATOM 0 HG3 LYS A 43 57.493 8.987 13.348 1.00 0.00 H new ATOM 0 HD2 LYS A 43 59.135 7.903 11.050 1.00 0.00 H new ATOM 0 HD3 LYS A 43 58.184 9.360 10.840 1.00 0.00 H new ATOM 0 HE2 LYS A 43 60.176 8.996 13.109 1.00 0.00 H new ATOM 0 HE3 LYS A 43 60.608 9.703 11.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 60.090 11.501 12.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 58.693 11.307 11.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 58.717 10.751 13.589 1.00 0.00 H new ATOM 683 N LEU A 44 58.932 3.947 13.771 1.00 0.00 N ATOM 684 CA LEU A 44 59.895 2.958 14.242 1.00 0.00 C ATOM 685 C LEU A 44 59.191 1.681 14.689 1.00 0.00 C ATOM 686 O LEU A 44 58.685 1.600 15.809 1.00 0.00 O ATOM 687 CB LEU A 44 60.721 3.530 15.395 1.00 0.00 C ATOM 688 CG LEU A 44 62.082 2.877 15.635 1.00 0.00 C ATOM 689 CD1 LEU A 44 62.935 3.741 16.551 1.00 0.00 C ATOM 690 CD2 LEU A 44 61.910 1.483 16.221 1.00 0.00 C ATOM 0 H LEU A 44 58.063 3.975 14.304 1.00 0.00 H new ATOM 0 HA LEU A 44 60.560 2.712 13.414 1.00 0.00 H new ATOM 0 HB2 LEU A 44 60.878 4.593 15.211 1.00 0.00 H new ATOM 0 HB3 LEU A 44 60.135 3.449 16.310 1.00 0.00 H new ATOM 0 HG LEU A 44 62.593 2.785 14.677 1.00 0.00 H new ATOM 0 HD11 LEU A 44 63.900 3.260 16.710 1.00 0.00 H new ATOM 0 HD12 LEU A 44 63.088 4.718 16.092 1.00 0.00 H new ATOM 0 HD13 LEU A 44 62.429 3.866 17.509 1.00 0.00 H new ATOM 0 HD21 LEU A 44 62.890 1.034 16.385 1.00 0.00 H new ATOM 0 HD22 LEU A 44 61.378 1.550 17.170 1.00 0.00 H new ATOM 0 HD23 LEU A 44 61.339 0.865 15.528 1.00 0.00 H new ATOM 702 N ILE A 45 59.164 0.687 13.808 1.00 0.00 N ATOM 703 CA ILE A 45 58.524 -0.587 14.115 1.00 0.00 C ATOM 704 C ILE A 45 59.539 -1.725 14.117 1.00 0.00 C ATOM 705 O ILE A 45 60.421 -1.785 13.261 1.00 0.00 O ATOM 706 CB ILE A 45 57.407 -0.913 13.106 1.00 0.00 C ATOM 707 CG1 ILE A 45 56.603 -2.126 13.577 1.00 0.00 C ATOM 708 CG2 ILE A 45 57.996 -1.164 11.726 1.00 0.00 C ATOM 709 CD1 ILE A 45 55.716 -1.838 14.768 1.00 0.00 C ATOM 0 H ILE A 45 59.577 0.739 12.877 1.00 0.00 H new ATOM 0 HA ILE A 45 58.088 -0.490 15.109 1.00 0.00 H new ATOM 0 HB ILE A 45 56.734 -0.058 13.042 1.00 0.00 H new ATOM 0 HG12 ILE A 45 55.986 -2.485 12.753 1.00 0.00 H new ATOM 0 HG13 ILE A 45 57.292 -2.931 13.833 1.00 0.00 H new ATOM 0 HG21 ILE A 45 57.194 -1.393 11.024 1.00 0.00 H new ATOM 0 HG22 ILE A 45 58.529 -0.274 11.390 1.00 0.00 H new ATOM 0 HG23 ILE A 45 58.688 -2.005 11.773 1.00 0.00 H new ATOM 0 HD11 ILE A 45 55.176 -2.743 15.047 1.00 0.00 H new ATOM 0 HD12 ILE A 45 56.329 -1.508 15.607 1.00 0.00 H new ATOM 0 HD13 ILE A 45 55.003 -1.055 14.510 1.00 0.00 H new ATOM 721 N ALA A 46 59.407 -2.626 15.085 1.00 0.00 N ATOM 722 CA ALA A 46 60.310 -3.765 15.197 1.00 0.00 C ATOM 723 C ALA A 46 59.955 -4.848 14.184 1.00 0.00 C ATOM 724 O ALA A 46 59.059 -5.660 14.418 1.00 0.00 O ATOM 725 CB ALA A 46 60.276 -4.328 16.610 1.00 0.00 C ATOM 0 H ALA A 46 58.683 -2.589 15.803 1.00 0.00 H new ATOM 0 HA ALA A 46 61.321 -3.419 14.980 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.955 -5.178 16.679 1.00 0.00 H new ATOM 0 HB2 ALA A 46 60.586 -3.558 17.316 1.00 0.00 H new ATOM 0 HB3 ALA A 46 59.263 -4.652 16.848 1.00 0.00 H new ATOM 731 N CYS A 47 60.663 -4.855 13.060 1.00 0.00 N ATOM 732 CA CYS A 47 60.422 -5.839 12.011 1.00 0.00 C ATOM 733 C CYS A 47 61.014 -7.193 12.388 1.00 0.00 C ATOM 734 O CYS A 47 60.568 -8.233 11.905 1.00 0.00 O ATOM 735 CB CYS A 47 61.017 -5.359 10.686 1.00 0.00 C ATOM 736 SG CYS A 47 60.755 -6.495 9.304 1.00 0.00 S ATOM 0 H CYS A 47 61.408 -4.191 12.852 1.00 0.00 H new ATOM 0 HA CYS A 47 59.344 -5.954 11.896 1.00 0.00 H new ATOM 0 HB2 CYS A 47 60.583 -4.392 10.434 1.00 0.00 H new ATOM 0 HB3 CYS A 47 62.088 -5.203 10.816 1.00 0.00 H new ATOM 0 HG CYS A 47 60.567 -7.698 9.760 1.00 0.00 H new TER 742 CYS A 47