USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 307 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 27 HIS : no HE2:sc=-0.00763 X(o=-0.016,f=-0.23) USER MOD Set 1.2: A 31 ASN : amide:sc=-0.00818 X(o=-0.016,f=-0.23) USER MOD Single : A 1 CYS N :NH3+ -108:sc= 0.0676 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -128:sc= 0.945 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00232) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 106:sc= 0.108 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.00217) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -15.627 7.663 0.549 1.00 0.00 N ATOM 2 CA CYS A 1 -17.084 7.314 0.540 1.00 0.00 C ATOM 3 C CYS A 1 -17.493 6.626 1.852 1.00 0.00 C ATOM 4 O CYS A 1 -16.653 6.126 2.580 1.00 0.00 O ATOM 5 CB CYS A 1 -17.297 6.357 -0.640 1.00 0.00 C ATOM 6 SG CYS A 1 -17.370 7.297 -2.186 1.00 0.00 S ATOM 0 H1 CYS A 1 -15.517 8.693 0.646 1.00 0.00 H new ATOM 0 H2 CYS A 1 -15.161 7.188 1.348 1.00 0.00 H new ATOM 0 H3 CYS A 1 -15.190 7.351 -0.342 1.00 0.00 H new ATOM 0 HA CYS A 1 -17.693 8.213 0.443 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -16.485 5.631 -0.683 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -18.220 5.794 -0.502 1.00 0.00 H new ATOM 0 HG CYS A 1 -17.548 6.481 -3.182 1.00 0.00 H new ATOM 14 N ALA A 2 -18.772 6.602 2.151 1.00 0.00 N ATOM 15 CA ALA A 2 -19.277 5.957 3.404 1.00 0.00 C ATOM 16 C ALA A 2 -20.784 5.676 3.284 1.00 0.00 C ATOM 17 O ALA A 2 -21.572 6.148 4.084 1.00 0.00 O ATOM 18 CB ALA A 2 -18.971 6.958 4.526 1.00 0.00 C ATOM 0 H ALA A 2 -19.500 7.011 1.566 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.803 4.995 3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.314 6.553 5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.896 7.135 4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.485 7.898 4.325 1.00 0.00 H new ATOM 24 N VAL A 3 -21.182 4.911 2.288 1.00 0.00 N ATOM 25 CA VAL A 3 -22.637 4.581 2.089 1.00 0.00 C ATOM 26 C VAL A 3 -23.213 3.926 3.354 1.00 0.00 C ATOM 27 O VAL A 3 -24.328 4.213 3.752 1.00 0.00 O ATOM 28 CB VAL A 3 -22.764 3.672 0.850 1.00 0.00 C ATOM 29 CG1 VAL A 3 -22.237 4.388 -0.398 1.00 0.00 C ATOM 30 CG2 VAL A 3 -21.996 2.353 1.018 1.00 0.00 C ATOM 0 H VAL A 3 -20.555 4.497 1.598 1.00 0.00 H new ATOM 0 HA VAL A 3 -23.217 5.488 1.916 1.00 0.00 H new ATOM 0 HB VAL A 3 -23.824 3.446 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -22.335 3.731 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -22.813 5.298 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -21.188 4.645 -0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -22.115 1.746 0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -20.938 2.565 1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -22.389 1.810 1.878 1.00 0.00 H new ATOM 40 N GLU A 4 -22.438 3.069 3.975 1.00 0.00 N ATOM 41 CA GLU A 4 -22.845 2.363 5.227 1.00 0.00 C ATOM 42 C GLU A 4 -21.614 2.370 6.148 1.00 0.00 C ATOM 43 O GLU A 4 -21.275 1.368 6.755 1.00 0.00 O ATOM 44 CB GLU A 4 -23.227 0.941 4.789 1.00 0.00 C ATOM 45 CG GLU A 4 -24.660 0.917 4.243 1.00 0.00 C ATOM 46 CD GLU A 4 -25.661 0.727 5.387 1.00 0.00 C ATOM 47 OE1 GLU A 4 -26.027 1.717 6.000 1.00 0.00 O ATOM 48 OE2 GLU A 4 -26.044 -0.406 5.630 1.00 0.00 O ATOM 0 H GLU A 4 -21.503 2.823 3.649 1.00 0.00 H new ATOM 0 HA GLU A 4 -23.681 2.818 5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -22.534 0.591 4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -23.141 0.258 5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -24.871 1.848 3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -24.767 0.109 3.519 1.00 0.00 H new ATOM 55 N LEU A 5 -20.944 3.507 6.233 1.00 0.00 N ATOM 56 CA LEU A 5 -19.713 3.673 7.072 1.00 0.00 C ATOM 57 C LEU A 5 -18.679 2.602 6.684 1.00 0.00 C ATOM 58 O LEU A 5 -18.034 2.007 7.529 1.00 0.00 O ATOM 59 CB LEU A 5 -20.170 3.573 8.538 1.00 0.00 C ATOM 60 CG LEU A 5 -19.824 4.850 9.318 1.00 0.00 C ATOM 61 CD1 LEU A 5 -18.305 5.003 9.451 1.00 0.00 C ATOM 62 CD2 LEU A 5 -20.405 6.084 8.615 1.00 0.00 C ATOM 0 H LEU A 5 -21.216 4.354 5.734 1.00 0.00 H new ATOM 0 HA LEU A 5 -19.222 4.633 6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -21.246 3.402 8.575 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -19.694 2.714 9.012 1.00 0.00 H new ATOM 0 HG LEU A 5 -20.262 4.768 10.313 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.078 5.913 10.006 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.898 4.143 9.982 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.857 5.062 8.459 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -20.150 6.979 9.182 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -19.989 6.160 7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -21.489 5.991 8.553 1.00 0.00 H new ATOM 74 N ARG A 6 -18.534 2.359 5.396 1.00 0.00 N ATOM 75 CA ARG A 6 -17.564 1.332 4.898 1.00 0.00 C ATOM 76 C ARG A 6 -17.229 1.501 3.405 1.00 0.00 C ATOM 77 O ARG A 6 -16.072 1.372 3.053 1.00 0.00 O ATOM 78 CB ARG A 6 -18.255 -0.015 5.143 1.00 0.00 C ATOM 79 CG ARG A 6 -17.290 -1.175 4.878 1.00 0.00 C ATOM 80 CD ARG A 6 -16.105 -1.105 5.848 1.00 0.00 C ATOM 81 NE ARG A 6 -15.741 -2.522 6.132 1.00 0.00 N ATOM 82 CZ ARG A 6 -15.304 -2.860 7.316 1.00 0.00 C ATOM 83 NH1 ARG A 6 -16.150 -2.980 8.307 1.00 0.00 N ATOM 84 NH2 ARG A 6 -14.025 -3.070 7.493 1.00 0.00 N ATOM 0 H ARG A 6 -19.056 2.838 4.662 1.00 0.00 H new ATOM 0 HA ARG A 6 -16.609 1.422 5.416 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.615 -0.063 6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -19.127 -0.105 4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -17.810 -2.126 4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -16.931 -1.133 3.850 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.267 -0.565 5.406 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.377 -0.578 6.763 1.00 0.00 H new ATOM 0 HE ARG A 6 -15.833 -3.228 5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.144 -2.810 8.153 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -15.816 -3.244 9.234 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -13.379 -2.969 6.710 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -13.674 -3.334 8.414 1.00 0.00 H new ATOM 98 N SER A 7 -18.214 1.766 2.563 1.00 0.00 N ATOM 99 CA SER A 7 -18.027 1.944 1.082 1.00 0.00 C ATOM 100 C SER A 7 -17.107 0.872 0.470 1.00 0.00 C ATOM 101 O SER A 7 -15.930 1.112 0.253 1.00 0.00 O ATOM 102 CB SER A 7 -17.519 3.374 0.836 1.00 0.00 C ATOM 103 OG SER A 7 -16.298 3.619 1.523 1.00 0.00 O ATOM 0 H SER A 7 -19.183 1.870 2.863 1.00 0.00 H new ATOM 0 HA SER A 7 -18.982 1.807 0.574 1.00 0.00 H new ATOM 0 HB2 SER A 7 -17.374 3.531 -0.233 1.00 0.00 H new ATOM 0 HB3 SER A 7 -18.272 4.090 1.164 1.00 0.00 H new ATOM 0 HG SER A 7 -16.381 4.437 2.056 1.00 0.00 H new ATOM 109 N PRO A 8 -17.674 -0.291 0.207 1.00 0.00 N ATOM 110 CA PRO A 8 -16.897 -1.422 -0.389 1.00 0.00 C ATOM 111 C PRO A 8 -16.555 -1.140 -1.865 1.00 0.00 C ATOM 112 O PRO A 8 -17.085 -1.751 -2.776 1.00 0.00 O ATOM 113 CB PRO A 8 -17.829 -2.625 -0.218 1.00 0.00 C ATOM 114 CG PRO A 8 -19.204 -2.053 -0.146 1.00 0.00 C ATOM 115 CD PRO A 8 -19.079 -0.674 0.434 1.00 0.00 C ATOM 0 HA PRO A 8 -15.931 -1.586 0.088 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -17.735 -3.317 -1.055 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -17.588 -3.183 0.686 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -19.657 -2.015 -1.136 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -19.848 -2.675 0.475 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -19.762 0.022 -0.053 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -19.323 -0.669 1.496 1.00 0.00 H new ATOM 123 N GLY A 9 -15.662 -0.206 -2.085 1.00 0.00 N ATOM 124 CA GLY A 9 -15.227 0.182 -3.462 1.00 0.00 C ATOM 125 C GLY A 9 -13.965 1.044 -3.348 1.00 0.00 C ATOM 126 O GLY A 9 -13.901 1.916 -2.502 1.00 0.00 O ATOM 0 H GLY A 9 -15.203 0.320 -1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.026 -0.707 -4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -16.019 0.735 -3.968 1.00 0.00 H new ATOM 130 N ILE A 10 -12.978 0.801 -4.184 1.00 0.00 N ATOM 131 CA ILE A 10 -11.679 1.549 -4.200 1.00 0.00 C ATOM 132 C ILE A 10 -10.780 1.283 -2.977 1.00 0.00 C ATOM 133 O ILE A 10 -9.583 1.474 -3.080 1.00 0.00 O ATOM 134 CB ILE A 10 -12.030 3.028 -4.466 1.00 0.00 C ATOM 135 CG1 ILE A 10 -11.102 3.548 -5.573 1.00 0.00 C ATOM 136 CG2 ILE A 10 -11.986 3.936 -3.224 1.00 0.00 C ATOM 137 CD1 ILE A 10 -9.779 4.089 -5.015 1.00 0.00 C ATOM 0 H ILE A 10 -13.028 0.071 -4.895 1.00 0.00 H new ATOM 0 HA ILE A 10 -11.033 1.186 -4.999 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.073 3.064 -4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -10.895 2.743 -6.278 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.609 4.337 -6.129 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -12.247 4.955 -3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.698 3.573 -2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.982 3.923 -2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.156 4.445 -5.836 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -9.982 4.912 -4.330 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.257 3.294 -4.482 1.00 0.00 H new ATOM 149 N SER A 11 -11.293 0.848 -1.846 1.00 0.00 N ATOM 150 CA SER A 11 -10.419 0.581 -0.658 1.00 0.00 C ATOM 151 C SER A 11 -9.608 -0.694 -0.914 1.00 0.00 C ATOM 152 O SER A 11 -8.402 -0.674 -0.752 1.00 0.00 O ATOM 153 CB SER A 11 -11.358 0.467 0.548 1.00 0.00 C ATOM 154 OG SER A 11 -10.611 0.534 1.759 1.00 0.00 O ATOM 0 H SER A 11 -12.285 0.666 -1.696 1.00 0.00 H new ATOM 0 HA SER A 11 -9.694 1.373 -0.470 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.095 1.269 0.522 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.908 -0.473 0.503 1.00 0.00 H new ATOM 0 HG SER A 11 -11.220 0.462 2.523 1.00 0.00 H new ATOM 160 N ARG A 12 -10.231 -1.780 -1.321 1.00 0.00 N ATOM 161 CA ARG A 12 -9.461 -3.038 -1.600 1.00 0.00 C ATOM 162 C ARG A 12 -8.475 -2.748 -2.745 1.00 0.00 C ATOM 163 O ARG A 12 -7.357 -3.226 -2.741 1.00 0.00 O ATOM 164 CB ARG A 12 -10.482 -4.105 -2.011 1.00 0.00 C ATOM 165 CG ARG A 12 -9.842 -5.494 -1.902 1.00 0.00 C ATOM 166 CD ARG A 12 -10.634 -6.517 -2.725 1.00 0.00 C ATOM 167 NE ARG A 12 -11.699 -7.035 -1.816 1.00 0.00 N ATOM 168 CZ ARG A 12 -11.696 -8.286 -1.439 1.00 0.00 C ATOM 169 NH1 ARG A 12 -12.222 -9.197 -2.218 1.00 0.00 N ATOM 170 NH2 ARG A 12 -11.166 -8.616 -0.288 1.00 0.00 N ATOM 0 H ARG A 12 -11.238 -1.848 -1.471 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.897 -3.384 -0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.362 -4.047 -1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.819 -3.927 -3.032 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.811 -5.455 -2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.810 -5.805 -0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.068 -6.054 -3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.989 -7.324 -3.071 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.434 -6.408 -1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.631 -8.928 -3.113 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.223 -10.175 -1.930 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.758 -7.898 0.310 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.161 -9.591 0.010 1.00 0.00 H new ATOM 184 N PHE A 13 -8.895 -1.956 -3.708 1.00 0.00 N ATOM 185 CA PHE A 13 -8.035 -1.581 -4.874 1.00 0.00 C ATOM 186 C PHE A 13 -6.874 -0.691 -4.391 1.00 0.00 C ATOM 187 O PHE A 13 -5.743 -0.907 -4.793 1.00 0.00 O ATOM 188 CB PHE A 13 -8.993 -0.853 -5.834 1.00 0.00 C ATOM 189 CG PHE A 13 -8.265 -0.010 -6.858 1.00 0.00 C ATOM 190 CD1 PHE A 13 -7.427 -0.606 -7.810 1.00 0.00 C ATOM 191 CD2 PHE A 13 -8.438 1.379 -6.852 1.00 0.00 C ATOM 192 CE1 PHE A 13 -6.765 0.189 -8.753 1.00 0.00 C ATOM 193 CE2 PHE A 13 -7.776 2.173 -7.794 1.00 0.00 C ATOM 194 CZ PHE A 13 -6.940 1.578 -8.744 1.00 0.00 C ATOM 0 H PHE A 13 -9.828 -1.543 -3.731 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.565 -2.429 -5.371 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -9.613 -1.587 -6.348 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.665 -0.217 -5.257 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.292 -1.678 -7.816 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -9.084 1.838 -6.119 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.119 -0.269 -9.488 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -7.910 3.245 -7.788 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.429 2.191 -9.472 1.00 0.00 H new ATOM 204 N ARG A 14 -7.136 0.285 -3.541 1.00 0.00 N ATOM 205 CA ARG A 14 -6.037 1.174 -3.037 1.00 0.00 C ATOM 206 C ARG A 14 -5.037 0.380 -2.179 1.00 0.00 C ATOM 207 O ARG A 14 -3.881 0.756 -2.110 1.00 0.00 O ATOM 208 CB ARG A 14 -6.700 2.351 -2.291 1.00 0.00 C ATOM 209 CG ARG A 14 -6.861 2.103 -0.784 1.00 0.00 C ATOM 210 CD ARG A 14 -7.791 3.156 -0.165 1.00 0.00 C ATOM 211 NE ARG A 14 -6.991 3.885 0.867 1.00 0.00 N ATOM 212 CZ ARG A 14 -7.477 4.950 1.449 1.00 0.00 C ATOM 213 NH1 ARG A 14 -7.456 6.100 0.824 1.00 0.00 N ATOM 214 NH2 ARG A 14 -7.981 4.857 2.654 1.00 0.00 N ATOM 0 H ARG A 14 -8.064 0.501 -3.177 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.442 1.576 -3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.103 3.250 -2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.680 2.542 -2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.267 1.106 -0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.886 2.138 -0.297 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.158 3.844 -0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.664 2.684 0.285 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.061 3.549 1.118 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.061 6.163 -0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.834 6.933 1.275 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.993 3.957 3.134 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.362 5.685 3.113 1.00 0.00 H new ATOM 228 N ARG A 15 -5.457 -0.697 -1.543 1.00 0.00 N ATOM 229 CA ARG A 15 -4.531 -1.524 -0.697 1.00 0.00 C ATOM 230 C ARG A 15 -3.396 -2.096 -1.561 1.00 0.00 C ATOM 231 O ARG A 15 -2.304 -2.315 -1.066 1.00 0.00 O ATOM 232 CB ARG A 15 -5.369 -2.655 -0.082 1.00 0.00 C ATOM 233 CG ARG A 15 -5.534 -2.430 1.427 1.00 0.00 C ATOM 234 CD ARG A 15 -5.204 -3.715 2.200 1.00 0.00 C ATOM 235 NE ARG A 15 -3.758 -3.623 2.564 1.00 0.00 N ATOM 236 CZ ARG A 15 -2.944 -4.606 2.281 1.00 0.00 C ATOM 237 NH1 ARG A 15 -2.383 -4.661 1.098 1.00 0.00 N ATOM 238 NH2 ARG A 15 -2.698 -5.524 3.183 1.00 0.00 N ATOM 0 H ARG A 15 -6.417 -1.040 -1.577 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.073 -0.921 0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.348 -2.694 -0.561 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.887 -3.615 -0.264 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.879 -1.623 1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.556 -2.119 1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.825 -3.803 3.092 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.396 -4.597 1.589 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.405 -2.790 3.035 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.582 -3.940 0.405 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.747 -5.425 0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.141 -5.469 4.100 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.064 -6.293 2.968 1.00 0.00 H new ATOM 252 N LYS A 16 -3.638 -2.327 -2.835 1.00 0.00 N ATOM 253 CA LYS A 16 -2.575 -2.869 -3.733 1.00 0.00 C ATOM 254 C LYS A 16 -1.754 -1.693 -4.279 1.00 0.00 C ATOM 255 O LYS A 16 -0.557 -1.826 -4.446 1.00 0.00 O ATOM 256 CB LYS A 16 -3.292 -3.620 -4.859 1.00 0.00 C ATOM 257 CG LYS A 16 -2.288 -4.499 -5.611 1.00 0.00 C ATOM 258 CD LYS A 16 -2.985 -5.235 -6.756 1.00 0.00 C ATOM 259 CE LYS A 16 -3.574 -6.551 -6.235 1.00 0.00 C ATOM 260 NZ LYS A 16 -4.580 -6.978 -7.250 1.00 0.00 N ATOM 0 H LYS A 16 -4.536 -2.160 -3.289 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.893 -3.544 -3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.092 -4.235 -4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.755 -2.911 -5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.478 -3.884 -6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.839 -5.219 -4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.775 -4.612 -7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.276 -5.435 -7.559 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.797 -7.306 -6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.039 -6.412 -5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.018 -7.872 -6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.314 -6.247 -7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.111 -7.113 -8.168 1.00 0.00 H new ATOM 274 N ILE A 17 -2.376 -0.562 -4.545 1.00 0.00 N ATOM 275 CA ILE A 17 -1.632 0.630 -5.072 1.00 0.00 C ATOM 276 C ILE A 17 -0.561 1.037 -4.046 1.00 0.00 C ATOM 277 O ILE A 17 0.549 1.368 -4.417 1.00 0.00 O ATOM 278 CB ILE A 17 -2.659 1.763 -5.251 1.00 0.00 C ATOM 279 CG1 ILE A 17 -3.705 1.393 -6.312 1.00 0.00 C ATOM 280 CG2 ILE A 17 -1.953 3.051 -5.693 1.00 0.00 C ATOM 281 CD1 ILE A 17 -4.914 2.326 -6.198 1.00 0.00 C ATOM 0 H ILE A 17 -3.377 -0.415 -4.417 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.141 0.413 -6.021 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.154 1.915 -4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.268 1.469 -7.308 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.020 0.358 -6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.689 3.845 -5.816 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.225 3.345 -4.937 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.442 2.879 -6.640 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.653 2.058 -6.954 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.357 2.228 -5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.594 3.357 -6.352 1.00 0.00 H new ATOM 293 N ALA A 18 -0.891 1.008 -2.773 1.00 0.00 N ATOM 294 CA ALA A 18 0.090 1.383 -1.708 1.00 0.00 C ATOM 295 C ALA A 18 1.238 0.367 -1.626 1.00 0.00 C ATOM 296 O ALA A 18 2.345 0.752 -1.302 1.00 0.00 O ATOM 297 CB ALA A 18 -0.693 1.416 -0.392 1.00 0.00 C ATOM 0 H ALA A 18 -1.811 0.736 -2.426 1.00 0.00 H new ATOM 0 HA ALA A 18 0.545 2.349 -1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.022 1.686 0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.493 2.153 -0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.122 0.433 -0.199 1.00 0.00 H new ATOM 303 N LYS A 19 0.991 -0.898 -1.913 1.00 0.00 N ATOM 304 CA LYS A 19 2.075 -1.935 -1.854 1.00 0.00 C ATOM 305 C LYS A 19 3.281 -1.525 -2.718 1.00 0.00 C ATOM 306 O LYS A 19 4.411 -1.797 -2.359 1.00 0.00 O ATOM 307 CB LYS A 19 1.432 -3.266 -2.302 1.00 0.00 C ATOM 308 CG LYS A 19 1.764 -3.633 -3.757 1.00 0.00 C ATOM 309 CD LYS A 19 0.976 -4.872 -4.190 1.00 0.00 C ATOM 310 CE LYS A 19 0.977 -4.992 -5.721 1.00 0.00 C ATOM 311 NZ LYS A 19 2.342 -5.440 -6.139 1.00 0.00 N ATOM 0 H LYS A 19 0.076 -1.255 -2.187 1.00 0.00 H new ATOM 0 HA LYS A 19 2.476 -2.043 -0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.771 -4.067 -1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.350 -3.197 -2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.526 -2.796 -4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.833 -3.822 -3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.417 -5.765 -3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.048 -4.807 -3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.222 -5.707 -6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.731 -4.035 -6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.371 -5.547 -7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.045 -4.732 -5.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.561 -6.352 -5.690 1.00 0.00 H new ATOM 325 N ARG A 20 3.048 -0.877 -3.841 1.00 0.00 N ATOM 326 CA ARG A 20 4.169 -0.442 -4.733 1.00 0.00 C ATOM 327 C ARG A 20 4.784 0.876 -4.234 1.00 0.00 C ATOM 328 O ARG A 20 5.953 1.121 -4.472 1.00 0.00 O ATOM 329 CB ARG A 20 3.567 -0.293 -6.136 1.00 0.00 C ATOM 330 CG ARG A 20 4.689 -0.161 -7.173 1.00 0.00 C ATOM 331 CD ARG A 20 4.642 -1.321 -8.175 1.00 0.00 C ATOM 332 NE ARG A 20 5.942 -2.043 -8.038 1.00 0.00 N ATOM 333 CZ ARG A 20 5.984 -3.344 -8.161 1.00 0.00 C ATOM 334 NH1 ARG A 20 6.126 -3.872 -9.350 1.00 0.00 N ATOM 335 NH2 ARG A 20 5.884 -4.103 -7.101 1.00 0.00 N ATOM 0 H ARG A 20 2.117 -0.630 -4.177 1.00 0.00 H new ATOM 0 HA ARG A 20 4.981 -1.169 -4.739 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.945 -1.157 -6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.921 0.584 -6.173 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.592 0.787 -7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.656 -0.148 -6.670 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.804 -1.985 -7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.507 -0.952 -9.192 1.00 0.00 H new ATOM 0 HE ARG A 20 6.798 -1.521 -7.848 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.203 -3.270 -10.170 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.160 -4.886 -9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.773 -3.680 -6.179 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.917 -5.118 -7.196 1.00 0.00 H new ATOM 349 N SER A 21 4.033 1.713 -3.547 1.00 0.00 N ATOM 350 CA SER A 21 4.597 3.003 -3.032 1.00 0.00 C ATOM 351 C SER A 21 5.256 2.821 -1.650 1.00 0.00 C ATOM 352 O SER A 21 5.523 3.796 -0.972 1.00 0.00 O ATOM 353 CB SER A 21 3.428 3.994 -2.966 1.00 0.00 C ATOM 354 OG SER A 21 3.790 5.179 -3.669 1.00 0.00 O ATOM 0 H SER A 21 3.051 1.555 -3.322 1.00 0.00 H new ATOM 0 HA SER A 21 5.383 3.371 -3.691 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.534 3.553 -3.406 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.190 4.229 -1.928 1.00 0.00 H new ATOM 0 HG SER A 21 3.049 5.819 -3.635 1.00 0.00 H new ATOM 360 N ILE A 22 5.526 1.604 -1.227 1.00 0.00 N ATOM 361 CA ILE A 22 6.171 1.349 0.097 1.00 0.00 C ATOM 362 C ILE A 22 7.603 0.863 -0.176 1.00 0.00 C ATOM 363 O ILE A 22 8.547 1.451 0.319 1.00 0.00 O ATOM 364 CB ILE A 22 5.292 0.290 0.790 1.00 0.00 C ATOM 365 CG1 ILE A 22 4.035 0.965 1.351 1.00 0.00 C ATOM 366 CG2 ILE A 22 6.039 -0.386 1.946 1.00 0.00 C ATOM 367 CD1 ILE A 22 2.935 -0.079 1.553 1.00 0.00 C ATOM 0 H ILE A 22 5.319 0.760 -1.761 1.00 0.00 H new ATOM 0 HA ILE A 22 6.245 2.225 0.742 1.00 0.00 H new ATOM 0 HB ILE A 22 5.030 -0.467 0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.265 1.453 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.692 1.741 0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.391 -1.127 2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.934 -0.876 1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.323 0.364 2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.043 0.405 1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.698 -0.547 0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.279 -0.840 2.254 1.00 0.00 H new ATOM 379 N LYS A 23 7.763 -0.187 -0.956 1.00 0.00 N ATOM 380 CA LYS A 23 9.126 -0.726 -1.280 1.00 0.00 C ATOM 381 C LYS A 23 9.962 0.342 -2.005 1.00 0.00 C ATOM 382 O LYS A 23 11.094 0.585 -1.632 1.00 0.00 O ATOM 383 CB LYS A 23 8.900 -1.953 -2.177 1.00 0.00 C ATOM 384 CG LYS A 23 10.201 -2.749 -2.336 1.00 0.00 C ATOM 385 CD LYS A 23 10.399 -3.171 -3.798 1.00 0.00 C ATOM 386 CE LYS A 23 11.004 -2.023 -4.619 1.00 0.00 C ATOM 387 NZ LYS A 23 12.474 -2.275 -4.681 1.00 0.00 N ATOM 0 H LYS A 23 6.993 -0.699 -1.387 1.00 0.00 H new ATOM 0 HA LYS A 23 9.675 -1.000 -0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.128 -2.589 -1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.540 -1.634 -3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.046 -2.144 -2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.174 -3.632 -1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.053 -4.042 -3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.443 -3.467 -4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.573 -1.993 -5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.795 -1.060 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.933 -1.520 -5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.865 -2.289 -3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.650 -3.192 -5.139 1.00 0.00 H new ATOM 401 N THR A 24 9.416 0.975 -3.020 1.00 0.00 N ATOM 402 CA THR A 24 10.164 2.036 -3.775 1.00 0.00 C ATOM 403 C THR A 24 10.557 3.172 -2.813 1.00 0.00 C ATOM 404 O THR A 24 11.645 3.716 -2.912 1.00 0.00 O ATOM 405 CB THR A 24 9.201 2.516 -4.871 1.00 0.00 C ATOM 406 OG1 THR A 24 8.847 1.411 -5.692 1.00 0.00 O ATOM 407 CG2 THR A 24 9.854 3.587 -5.750 1.00 0.00 C ATOM 0 H THR A 24 8.471 0.799 -3.362 1.00 0.00 H new ATOM 0 HA THR A 24 11.091 1.670 -4.216 1.00 0.00 H new ATOM 0 HB THR A 24 8.320 2.944 -4.392 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.928 1.136 -5.492 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.149 3.908 -6.517 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.134 4.442 -5.134 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.744 3.175 -6.225 1.00 0.00 H new ATOM 415 N LEU A 25 9.683 3.516 -1.890 1.00 0.00 N ATOM 416 CA LEU A 25 9.971 4.599 -0.900 1.00 0.00 C ATOM 417 C LEU A 25 11.156 4.174 -0.023 1.00 0.00 C ATOM 418 O LEU A 25 12.070 4.951 0.169 1.00 0.00 O ATOM 419 CB LEU A 25 8.697 4.763 -0.062 1.00 0.00 C ATOM 420 CG LEU A 25 8.607 6.194 0.470 1.00 0.00 C ATOM 421 CD1 LEU A 25 8.028 7.117 -0.607 1.00 0.00 C ATOM 422 CD2 LEU A 25 7.701 6.221 1.703 1.00 0.00 C ATOM 0 H LEU A 25 8.767 3.081 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 25 10.235 5.541 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.820 4.535 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.703 4.056 0.768 1.00 0.00 H new ATOM 0 HG LEU A 25 9.605 6.540 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.967 8.134 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.673 7.101 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.031 6.774 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.635 7.240 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.705 5.871 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.116 5.572 2.474 1.00 0.00 H new ATOM 434 N GLU A 26 11.141 2.959 0.485 1.00 0.00 N ATOM 435 CA GLU A 26 12.263 2.459 1.344 1.00 0.00 C ATOM 436 C GLU A 26 13.590 2.586 0.584 1.00 0.00 C ATOM 437 O GLU A 26 14.569 3.034 1.148 1.00 0.00 O ATOM 438 CB GLU A 26 11.964 0.991 1.678 1.00 0.00 C ATOM 439 CG GLU A 26 11.839 0.821 3.197 1.00 0.00 C ATOM 440 CD GLU A 26 13.220 0.892 3.860 1.00 0.00 C ATOM 441 OE1 GLU A 26 13.679 1.994 4.117 1.00 0.00 O ATOM 442 OE2 GLU A 26 13.795 -0.157 4.101 1.00 0.00 O ATOM 0 H GLU A 26 10.388 2.287 0.337 1.00 0.00 H new ATOM 0 HA GLU A 26 12.348 3.041 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.041 0.678 1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.759 0.352 1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.193 1.599 3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.368 -0.136 3.424 1.00 0.00 H new ATOM 449 N HIS A 27 13.614 2.208 -0.678 1.00 0.00 N ATOM 450 CA HIS A 27 14.863 2.311 -1.503 1.00 0.00 C ATOM 451 C HIS A 27 15.353 3.769 -1.487 1.00 0.00 C ATOM 452 O HIS A 27 16.535 4.020 -1.352 1.00 0.00 O ATOM 453 CB HIS A 27 14.467 1.871 -2.919 1.00 0.00 C ATOM 454 CG HIS A 27 15.616 2.070 -3.873 1.00 0.00 C ATOM 455 ND1 HIS A 27 16.710 1.220 -3.910 1.00 0.00 N ATOM 456 CD2 HIS A 27 15.849 3.026 -4.830 1.00 0.00 C ATOM 457 CE1 HIS A 27 17.544 1.676 -4.861 1.00 0.00 C ATOM 458 NE2 HIS A 27 17.069 2.775 -5.454 1.00 0.00 N ATOM 0 H HIS A 27 12.809 1.828 -1.175 1.00 0.00 H new ATOM 0 HA HIS A 27 15.673 1.689 -1.123 1.00 0.00 H new ATOM 0 HB2 HIS A 27 14.171 0.822 -2.911 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.603 2.444 -3.256 1.00 0.00 H new ATOM 0 HD1 HIS A 27 16.856 0.399 -3.323 1.00 0.00 H new ATOM 0 HD2 HIS A 27 15.188 3.847 -5.064 1.00 0.00 H new ATOM 0 HE1 HIS A 27 18.485 1.210 -5.115 1.00 0.00 H new ATOM 466 N LYS A 28 14.441 4.709 -1.611 1.00 0.00 N ATOM 467 CA LYS A 28 14.801 6.161 -1.596 1.00 0.00 C ATOM 468 C LYS A 28 15.417 6.524 -0.235 1.00 0.00 C ATOM 469 O LYS A 28 16.309 7.348 -0.185 1.00 0.00 O ATOM 470 CB LYS A 28 13.499 6.936 -1.850 1.00 0.00 C ATOM 471 CG LYS A 28 13.548 7.621 -3.221 1.00 0.00 C ATOM 472 CD LYS A 28 13.088 6.662 -4.327 1.00 0.00 C ATOM 473 CE LYS A 28 12.030 7.347 -5.208 1.00 0.00 C ATOM 474 NZ LYS A 28 12.389 7.034 -6.623 1.00 0.00 N ATOM 0 H LYS A 28 13.444 4.524 -1.724 1.00 0.00 H new ATOM 0 HA LYS A 28 15.540 6.408 -2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.648 6.256 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.353 7.681 -1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.912 8.506 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.563 7.960 -3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.940 6.360 -4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.674 5.755 -3.885 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.031 6.980 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.022 8.424 -5.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.699 7.478 -7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.339 7.402 -6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.379 6.004 -6.764 1.00 0.00 H new ATOM 488 N ARG A 29 14.964 5.917 0.844 1.00 0.00 N ATOM 489 CA ARG A 29 15.529 6.214 2.201 1.00 0.00 C ATOM 490 C ARG A 29 17.008 5.797 2.203 1.00 0.00 C ATOM 491 O ARG A 29 17.862 6.553 2.628 1.00 0.00 O ATOM 492 CB ARG A 29 14.742 5.383 3.230 1.00 0.00 C ATOM 493 CG ARG A 29 13.234 5.646 3.123 1.00 0.00 C ATOM 494 CD ARG A 29 12.559 5.418 4.481 1.00 0.00 C ATOM 495 NE ARG A 29 11.715 6.628 4.711 1.00 0.00 N ATOM 496 CZ ARG A 29 12.085 7.543 5.571 1.00 0.00 C ATOM 497 NH1 ARG A 29 13.144 8.273 5.326 1.00 0.00 N ATOM 498 NH2 ARG A 29 11.397 7.717 6.671 1.00 0.00 N ATOM 0 H ARG A 29 14.218 5.221 0.838 1.00 0.00 H new ATOM 0 HA ARG A 29 15.451 7.273 2.448 1.00 0.00 H new ATOM 0 HB2 ARG A 29 14.940 4.323 3.073 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.085 5.626 4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.059 6.669 2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.795 4.986 2.375 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.953 4.512 4.472 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.299 5.298 5.273 1.00 0.00 H new ATOM 0 HE ARG A 29 10.843 6.743 4.194 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.676 8.127 4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.436 8.987 5.993 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.576 7.141 6.856 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.682 8.429 7.344 1.00 0.00 H new ATOM 512 N GLU A 30 17.293 4.609 1.720 1.00 0.00 N ATOM 513 CA GLU A 30 18.700 4.102 1.660 1.00 0.00 C ATOM 514 C GLU A 30 19.505 4.956 0.670 1.00 0.00 C ATOM 515 O GLU A 30 20.621 5.341 0.959 1.00 0.00 O ATOM 516 CB GLU A 30 18.599 2.646 1.188 1.00 0.00 C ATOM 517 CG GLU A 30 18.299 1.738 2.385 1.00 0.00 C ATOM 518 CD GLU A 30 19.610 1.269 3.024 1.00 0.00 C ATOM 519 OE1 GLU A 30 20.106 1.953 3.905 1.00 0.00 O ATOM 520 OE2 GLU A 30 20.102 0.229 2.618 1.00 0.00 O ATOM 0 H GLU A 30 16.595 3.959 1.359 1.00 0.00 H new ATOM 0 HA GLU A 30 19.208 4.159 2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.813 2.549 0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 30 19.531 2.342 0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.698 2.275 3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 30 17.713 0.877 2.062 1.00 0.00 H new ATOM 527 N ASN A 31 18.931 5.249 -0.480 1.00 0.00 N ATOM 528 CA ASN A 31 19.615 6.084 -1.523 1.00 0.00 C ATOM 529 C ASN A 31 19.917 7.487 -0.966 1.00 0.00 C ATOM 530 O ASN A 31 20.941 8.064 -1.281 1.00 0.00 O ATOM 531 CB ASN A 31 18.639 6.194 -2.704 1.00 0.00 C ATOM 532 CG ASN A 31 18.891 5.095 -3.746 1.00 0.00 C ATOM 533 OD1 ASN A 31 19.264 3.988 -3.411 1.00 0.00 O ATOM 534 ND2 ASN A 31 18.700 5.344 -5.015 1.00 0.00 N ATOM 0 H ASN A 31 17.996 4.936 -0.742 1.00 0.00 H new ATOM 0 HA ASN A 31 20.560 5.634 -1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 31 17.615 6.123 -2.339 1.00 0.00 H new ATOM 0 HB3 ASN A 31 18.743 7.172 -3.173 1.00 0.00 H new ATOM 0 HD21 ASN A 31 18.864 4.614 -5.708 1.00 0.00 H new ATOM 0 HD22 ASN A 31 18.387 6.268 -5.312 1.00 0.00 H new ATOM 541 N ALA A 32 19.036 8.027 -0.152 1.00 0.00 N ATOM 542 CA ALA A 32 19.245 9.388 0.439 1.00 0.00 C ATOM 543 C ALA A 32 20.302 9.360 1.554 1.00 0.00 C ATOM 544 O ALA A 32 20.688 8.312 2.040 1.00 0.00 O ATOM 545 CB ALA A 32 17.885 9.816 1.001 1.00 0.00 C ATOM 0 H ALA A 32 18.168 7.573 0.131 1.00 0.00 H new ATOM 0 HA ALA A 32 19.611 10.086 -0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 32 17.971 10.806 1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 32 17.151 9.844 0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 32 17.564 9.102 1.759 1.00 0.00 H new ATOM 551 N LYS A 33 20.765 10.519 1.957 1.00 0.00 N ATOM 552 CA LYS A 33 21.795 10.615 3.039 1.00 0.00 C ATOM 553 C LYS A 33 21.160 11.220 4.297 1.00 0.00 C ATOM 554 O LYS A 33 21.203 10.615 5.353 1.00 0.00 O ATOM 555 CB LYS A 33 22.915 11.506 2.483 1.00 0.00 C ATOM 556 CG LYS A 33 24.083 10.638 2.006 1.00 0.00 C ATOM 557 CD LYS A 33 25.222 11.521 1.483 1.00 0.00 C ATOM 558 CE LYS A 33 26.120 11.984 2.639 1.00 0.00 C ATOM 559 NZ LYS A 33 27.089 10.877 2.899 1.00 0.00 N ATOM 0 H LYS A 33 20.467 11.417 1.575 1.00 0.00 H new ATOM 0 HA LYS A 33 22.194 9.641 3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 33 22.537 12.108 1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 33 23.256 12.199 3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.442 10.017 2.826 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.746 9.963 1.219 1.00 0.00 H new ATOM 0 HD2 LYS A 33 25.814 10.967 0.755 1.00 0.00 H new ATOM 0 HD3 LYS A 33 24.810 12.387 0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 33 26.644 12.904 2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.527 12.196 3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 27.471 10.969 3.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 26.604 9.962 2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 27.867 10.928 2.211 1.00 0.00 H new ATOM 573 N GLU A 34 20.572 12.390 4.185 1.00 0.00 N ATOM 574 CA GLU A 34 19.920 13.047 5.361 1.00 0.00 C ATOM 575 C GLU A 34 18.449 12.611 5.444 1.00 0.00 C ATOM 576 O GLU A 34 17.736 12.722 4.455 1.00 0.00 O ATOM 577 CB GLU A 34 20.054 14.562 5.136 1.00 0.00 C ATOM 578 CG GLU A 34 20.738 15.225 6.341 1.00 0.00 C ATOM 579 CD GLU A 34 22.139 15.722 5.963 1.00 0.00 C ATOM 580 OE1 GLU A 34 23.026 14.894 5.827 1.00 0.00 O ATOM 581 OE2 GLU A 34 22.308 16.924 5.817 1.00 0.00 O ATOM 582 OXT GLU A 34 18.050 12.162 6.507 1.00 0.00 O ATOM 0 H GLU A 34 20.517 12.922 3.317 1.00 0.00 H new ATOM 0 HA GLU A 34 20.387 12.765 6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 34 20.632 14.752 4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.069 15.002 4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.133 16.060 6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 34 20.809 14.512 7.163 1.00 0.00 H new TER 589 GLU A 34