USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=8 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 Single : A 1 CYS N :NH3+ -113:sc= 0.0641 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -22:sc= 1.17 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+ 180:sc= 0 (180deg=0) 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 180:sc=0.000183 USER MOD Single : A 27 HIS : no HE2:sc= 0.0156 K(o=0.016,f=-0.81) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0906 X(o=-0.091,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= -0.861 (180deg=-0.988) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -21.401 -15.351 2.613 1.00 0.00 N ATOM 2 CA CYS A 1 -20.859 -14.871 1.301 1.00 0.00 C ATOM 3 C CYS A 1 -19.445 -14.300 1.481 1.00 0.00 C ATOM 4 O CYS A 1 -19.077 -13.888 2.567 1.00 0.00 O ATOM 5 CB CYS A 1 -21.810 -13.773 0.812 1.00 0.00 C ATOM 6 SG CYS A 1 -23.300 -14.518 0.104 1.00 0.00 S ATOM 0 H1 CYS A 1 -21.502 -16.386 2.589 1.00 0.00 H new ATOM 0 H2 CYS A 1 -20.748 -15.084 3.377 1.00 0.00 H new ATOM 0 H3 CYS A 1 -22.330 -14.917 2.784 1.00 0.00 H new ATOM 0 HA CYS A 1 -20.794 -15.689 0.583 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -22.079 -13.118 1.640 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -21.312 -13.155 0.065 1.00 0.00 H new ATOM 0 HG CYS A 1 -24.101 -13.580 -0.306 1.00 0.00 H new ATOM 14 N ALA A 2 -18.664 -14.271 0.425 1.00 0.00 N ATOM 15 CA ALA A 2 -17.272 -13.728 0.509 1.00 0.00 C ATOM 16 C ALA A 2 -17.255 -12.265 0.040 1.00 0.00 C ATOM 17 O ALA A 2 -16.767 -11.932 -1.024 1.00 0.00 O ATOM 18 CB ALA A 2 -16.419 -14.635 -0.386 1.00 0.00 C ATOM 0 H ALA A 2 -18.936 -14.604 -0.500 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.881 -13.726 1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.384 -14.293 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.468 -15.660 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.798 -14.598 -1.407 1.00 0.00 H new ATOM 24 N VAL A 3 -17.791 -11.394 0.860 1.00 0.00 N ATOM 25 CA VAL A 3 -17.843 -9.923 0.551 1.00 0.00 C ATOM 26 C VAL A 3 -16.699 -9.190 1.278 1.00 0.00 C ATOM 27 O VAL A 3 -16.801 -8.015 1.587 1.00 0.00 O ATOM 28 CB VAL A 3 -19.196 -9.419 1.081 1.00 0.00 C ATOM 29 CG1 VAL A 3 -20.361 -10.221 0.489 1.00 0.00 C ATOM 30 CG2 VAL A 3 -19.235 -9.507 2.615 1.00 0.00 C ATOM 0 H VAL A 3 -18.207 -11.645 1.757 1.00 0.00 H new ATOM 0 HA VAL A 3 -17.736 -9.740 -0.518 1.00 0.00 H new ATOM 0 HB VAL A 3 -19.304 -8.379 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -21.303 -9.840 0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -20.356 -10.122 -0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -20.253 -11.272 0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -20.199 -9.147 2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -19.096 -10.543 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -18.438 -8.893 3.035 1.00 0.00 H new ATOM 40 N GLU A 4 -15.626 -9.889 1.564 1.00 0.00 N ATOM 41 CA GLU A 4 -14.443 -9.323 2.283 1.00 0.00 C ATOM 42 C GLU A 4 -14.832 -8.817 3.686 1.00 0.00 C ATOM 43 O GLU A 4 -14.102 -8.044 4.280 1.00 0.00 O ATOM 44 CB GLU A 4 -13.846 -8.226 1.386 1.00 0.00 C ATOM 45 CG GLU A 4 -13.426 -8.813 0.030 1.00 0.00 C ATOM 46 CD GLU A 4 -12.101 -9.564 0.158 1.00 0.00 C ATOM 47 OE1 GLU A 4 -11.065 -8.916 0.129 1.00 0.00 O ATOM 48 OE2 GLU A 4 -12.146 -10.776 0.279 1.00 0.00 O ATOM 0 H GLU A 4 -15.520 -10.873 1.316 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.687 -10.088 2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.578 -7.433 1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.984 -7.775 1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.200 -9.488 -0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.328 -8.013 -0.704 1.00 0.00 H new ATOM 55 N LEU A 5 -15.968 -9.252 4.208 1.00 0.00 N ATOM 56 CA LEU A 5 -16.483 -8.854 5.560 1.00 0.00 C ATOM 57 C LEU A 5 -16.485 -7.329 5.786 1.00 0.00 C ATOM 58 O LEU A 5 -16.521 -6.878 6.917 1.00 0.00 O ATOM 59 CB LEU A 5 -15.608 -9.608 6.575 1.00 0.00 C ATOM 60 CG LEU A 5 -15.591 -11.115 6.266 1.00 0.00 C ATOM 61 CD1 LEU A 5 -14.581 -11.828 7.164 1.00 0.00 C ATOM 62 CD2 LEU A 5 -16.978 -11.731 6.491 1.00 0.00 C ATOM 0 H LEU A 5 -16.585 -9.901 3.719 1.00 0.00 H new ATOM 0 HA LEU A 5 -17.534 -9.123 5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.592 -9.215 6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.988 -9.443 7.583 1.00 0.00 H new ATOM 0 HG LEU A 5 -15.307 -11.240 5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -14.579 -12.894 6.935 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.586 -11.418 6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.856 -11.682 8.209 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -16.943 -12.797 6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -17.275 -11.588 7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -17.702 -11.246 5.836 1.00 0.00 H new ATOM 74 N ARG A 6 -16.448 -6.537 4.730 1.00 0.00 N ATOM 75 CA ARG A 6 -16.444 -5.043 4.850 1.00 0.00 C ATOM 76 C ARG A 6 -16.744 -4.330 3.510 1.00 0.00 C ATOM 77 O ARG A 6 -16.408 -3.167 3.378 1.00 0.00 O ATOM 78 CB ARG A 6 -15.024 -4.716 5.325 1.00 0.00 C ATOM 79 CG ARG A 6 -15.047 -3.506 6.263 1.00 0.00 C ATOM 80 CD ARG A 6 -13.750 -3.458 7.078 1.00 0.00 C ATOM 81 NE ARG A 6 -12.786 -2.676 6.250 1.00 0.00 N ATOM 82 CZ ARG A 6 -12.525 -1.430 6.539 1.00 0.00 C ATOM 83 NH1 ARG A 6 -13.318 -0.487 6.098 1.00 0.00 N ATOM 84 NH2 ARG A 6 -11.479 -1.138 7.271 1.00 0.00 N ATOM 0 H ARG A 6 -16.420 -6.878 3.769 1.00 0.00 H new ATOM 0 HA ARG A 6 -17.224 -4.698 5.529 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -14.597 -5.577 5.840 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -14.384 -4.509 4.467 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -15.159 -2.588 5.685 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.906 -3.569 6.932 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -13.912 -2.982 8.045 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -13.373 -4.462 7.275 1.00 0.00 H new ATOM 0 HE ARG A 6 -12.328 -3.118 5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -14.132 -0.728 5.533 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -13.122 0.489 6.319 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.872 -1.883 7.613 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.271 -0.166 7.499 1.00 0.00 H new ATOM 98 N SER A 7 -17.356 -4.986 2.535 1.00 0.00 N ATOM 99 CA SER A 7 -17.690 -4.386 1.197 1.00 0.00 C ATOM 100 C SER A 7 -16.412 -4.010 0.417 1.00 0.00 C ATOM 101 O SER A 7 -15.802 -2.989 0.677 1.00 0.00 O ATOM 102 CB SER A 7 -18.674 -3.220 1.445 1.00 0.00 C ATOM 103 OG SER A 7 -18.035 -1.962 1.662 1.00 0.00 O ATOM 0 H SER A 7 -17.648 -5.959 2.624 1.00 0.00 H new ATOM 0 HA SER A 7 -18.186 -5.104 0.544 1.00 0.00 H new ATOM 0 HB2 SER A 7 -19.343 -3.134 0.589 1.00 0.00 H new ATOM 0 HB3 SER A 7 -19.292 -3.457 2.311 1.00 0.00 H new ATOM 0 HG SER A 7 -17.116 -2.110 1.967 1.00 0.00 H new ATOM 109 N PRO A 8 -16.026 -4.851 -0.522 1.00 0.00 N ATOM 110 CA PRO A 8 -14.799 -4.595 -1.329 1.00 0.00 C ATOM 111 C PRO A 8 -15.051 -3.670 -2.528 1.00 0.00 C ATOM 112 O PRO A 8 -16.173 -3.495 -2.971 1.00 0.00 O ATOM 113 CB PRO A 8 -14.388 -5.990 -1.790 1.00 0.00 C ATOM 114 CG PRO A 8 -15.632 -6.815 -1.781 1.00 0.00 C ATOM 115 CD PRO A 8 -16.662 -6.110 -0.942 1.00 0.00 C ATOM 0 HA PRO A 8 -14.033 -4.079 -0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -13.950 -5.957 -2.788 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.635 -6.414 -1.125 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.002 -6.955 -2.797 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.427 -7.806 -1.377 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -17.571 -5.920 -1.513 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.947 -6.713 -0.080 1.00 0.00 H new ATOM 123 N GLY A 9 -13.990 -3.090 -3.042 1.00 0.00 N ATOM 124 CA GLY A 9 -14.105 -2.171 -4.214 1.00 0.00 C ATOM 125 C GLY A 9 -12.868 -1.273 -4.325 1.00 0.00 C ATOM 126 O GLY A 9 -11.756 -1.761 -4.431 1.00 0.00 O ATOM 0 H GLY A 9 -13.040 -3.218 -2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -14.221 -2.753 -5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.999 -1.555 -4.113 1.00 0.00 H new ATOM 130 N ILE A 10 -13.069 0.025 -4.300 1.00 0.00 N ATOM 131 CA ILE A 10 -11.944 1.011 -4.405 1.00 0.00 C ATOM 132 C ILE A 10 -10.865 0.807 -3.327 1.00 0.00 C ATOM 133 O ILE A 10 -9.693 0.909 -3.630 1.00 0.00 O ATOM 134 CB ILE A 10 -12.589 2.408 -4.328 1.00 0.00 C ATOM 135 CG1 ILE A 10 -11.533 3.461 -4.687 1.00 0.00 C ATOM 136 CG2 ILE A 10 -13.163 2.694 -2.931 1.00 0.00 C ATOM 137 CD1 ILE A 10 -12.122 4.872 -4.616 1.00 0.00 C ATOM 0 H ILE A 10 -13.991 0.452 -4.209 1.00 0.00 H new ATOM 0 HA ILE A 10 -11.408 0.877 -5.345 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.418 2.447 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -10.687 3.381 -4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.152 3.272 -5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -13.609 3.689 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -13.924 1.952 -2.691 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.363 2.645 -2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.354 5.600 -4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.952 4.955 -5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -12.480 5.066 -3.605 1.00 0.00 H new ATOM 149 N SER A 11 -11.231 0.525 -2.096 1.00 0.00 N ATOM 150 CA SER A 11 -10.210 0.320 -1.017 1.00 0.00 C ATOM 151 C SER A 11 -9.344 -0.916 -1.294 1.00 0.00 C ATOM 152 O SER A 11 -8.163 -0.887 -1.003 1.00 0.00 O ATOM 153 CB SER A 11 -10.973 0.197 0.302 1.00 0.00 C ATOM 154 OG SER A 11 -10.158 0.705 1.352 1.00 0.00 O ATOM 0 H SER A 11 -12.200 0.428 -1.792 1.00 0.00 H new ATOM 0 HA SER A 11 -9.519 1.162 -0.975 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.910 0.752 0.249 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.230 -0.845 0.494 1.00 0.00 H new ATOM 0 HG SER A 11 -10.638 0.633 2.203 1.00 0.00 H new ATOM 160 N ARG A 12 -9.891 -1.980 -1.851 1.00 0.00 N ATOM 161 CA ARG A 12 -9.054 -3.190 -2.142 1.00 0.00 C ATOM 162 C ARG A 12 -7.942 -2.780 -3.120 1.00 0.00 C ATOM 163 O ARG A 12 -6.810 -3.203 -2.978 1.00 0.00 O ATOM 164 CB ARG A 12 -9.976 -4.255 -2.757 1.00 0.00 C ATOM 165 CG ARG A 12 -10.021 -5.480 -1.837 1.00 0.00 C ATOM 166 CD ARG A 12 -11.185 -6.394 -2.232 1.00 0.00 C ATOM 167 NE ARG A 12 -10.629 -7.414 -3.171 1.00 0.00 N ATOM 168 CZ ARG A 12 -11.276 -8.532 -3.377 1.00 0.00 C ATOM 169 NH1 ARG A 12 -12.256 -8.561 -4.244 1.00 0.00 N ATOM 170 NH2 ARG A 12 -10.943 -9.609 -2.714 1.00 0.00 N ATOM 0 H ARG A 12 -10.874 -2.059 -2.113 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.591 -3.596 -1.243 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.979 -3.850 -2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.613 -4.541 -3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.081 -6.028 -1.902 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.134 -5.162 -0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.617 -6.872 -1.353 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.982 -5.823 -2.708 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.746 -7.239 -3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.511 -7.715 -4.754 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.765 -9.429 -4.410 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.180 -9.576 -2.038 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.446 -10.482 -2.873 1.00 0.00 H new ATOM 184 N PHE A 13 -8.266 -1.950 -4.090 1.00 0.00 N ATOM 185 CA PHE A 13 -7.257 -1.471 -5.086 1.00 0.00 C ATOM 186 C PHE A 13 -6.365 -0.432 -4.381 1.00 0.00 C ATOM 187 O PHE A 13 -5.158 -0.486 -4.508 1.00 0.00 O ATOM 188 CB PHE A 13 -8.082 -0.922 -6.274 1.00 0.00 C ATOM 189 CG PHE A 13 -7.689 0.481 -6.696 1.00 0.00 C ATOM 190 CD1 PHE A 13 -6.509 0.704 -7.418 1.00 0.00 C ATOM 191 CD2 PHE A 13 -8.513 1.564 -6.362 1.00 0.00 C ATOM 192 CE1 PHE A 13 -6.158 2.003 -7.803 1.00 0.00 C ATOM 193 CE2 PHE A 13 -8.161 2.862 -6.746 1.00 0.00 C ATOM 194 CZ PHE A 13 -6.984 3.082 -7.466 1.00 0.00 C ATOM 0 H PHE A 13 -9.206 -1.580 -4.232 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.580 -2.235 -5.469 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.967 -1.593 -7.125 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.138 -0.928 -6.004 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.870 -0.127 -7.678 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -9.423 1.396 -5.806 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.249 2.173 -8.361 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -8.799 3.694 -6.486 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.711 4.084 -7.762 1.00 0.00 H new ATOM 204 N ARG A 14 -6.957 0.490 -3.647 1.00 0.00 N ATOM 205 CA ARG A 14 -6.204 1.555 -2.901 1.00 0.00 C ATOM 206 C ARG A 14 -5.150 0.922 -1.977 1.00 0.00 C ATOM 207 O ARG A 14 -4.022 1.381 -1.931 1.00 0.00 O ATOM 208 CB ARG A 14 -7.288 2.294 -2.105 1.00 0.00 C ATOM 209 CG ARG A 14 -6.715 3.446 -1.270 1.00 0.00 C ATOM 210 CD ARG A 14 -7.746 3.857 -0.212 1.00 0.00 C ATOM 211 NE ARG A 14 -7.100 4.934 0.595 1.00 0.00 N ATOM 212 CZ ARG A 14 -7.190 4.924 1.899 1.00 0.00 C ATOM 213 NH1 ARG A 14 -6.381 4.173 2.602 1.00 0.00 N ATOM 214 NH2 ARG A 14 -8.092 5.666 2.489 1.00 0.00 N ATOM 0 H ARG A 14 -7.969 0.547 -3.532 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.653 2.228 -3.558 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.038 2.685 -2.793 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.796 1.589 -1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.786 3.138 -0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.476 4.294 -1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.663 4.216 -0.679 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.020 3.009 0.416 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.586 5.681 0.127 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.682 3.597 2.132 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.449 4.163 3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.719 6.247 1.932 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.168 5.664 3.506 1.00 0.00 H new ATOM 228 N ARG A 15 -5.512 -0.121 -1.258 1.00 0.00 N ATOM 229 CA ARG A 15 -4.550 -0.808 -0.338 1.00 0.00 C ATOM 230 C ARG A 15 -3.373 -1.381 -1.147 1.00 0.00 C ATOM 231 O ARG A 15 -2.249 -1.375 -0.680 1.00 0.00 O ATOM 232 CB ARG A 15 -5.344 -1.924 0.352 1.00 0.00 C ATOM 233 CG ARG A 15 -4.642 -2.322 1.652 1.00 0.00 C ATOM 234 CD ARG A 15 -5.226 -3.637 2.180 1.00 0.00 C ATOM 235 NE ARG A 15 -4.049 -4.440 2.626 1.00 0.00 N ATOM 236 CZ ARG A 15 -3.582 -4.317 3.842 1.00 0.00 C ATOM 237 NH1 ARG A 15 -2.719 -3.369 4.109 1.00 0.00 N ATOM 238 NH2 ARG A 15 -3.983 -5.140 4.777 1.00 0.00 N ATOM 0 H ARG A 15 -6.447 -0.528 -1.273 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.128 -0.124 0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.359 -1.586 0.563 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.427 -2.787 -0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.572 -2.433 1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.764 -1.535 2.397 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.915 -3.458 3.005 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.786 -4.158 1.404 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.605 -5.090 1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.416 -2.733 3.372 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.350 -3.267 5.054 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.657 -5.873 4.556 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.622 -5.048 5.726 1.00 0.00 H new ATOM 252 N LYS A 16 -3.628 -1.859 -2.345 1.00 0.00 N ATOM 253 CA LYS A 16 -2.546 -2.425 -3.207 1.00 0.00 C ATOM 254 C LYS A 16 -1.674 -1.285 -3.755 1.00 0.00 C ATOM 255 O LYS A 16 -0.476 -1.467 -3.868 1.00 0.00 O ATOM 256 CB LYS A 16 -3.243 -3.185 -4.340 1.00 0.00 C ATOM 257 CG LYS A 16 -2.279 -4.211 -4.946 1.00 0.00 C ATOM 258 CD LYS A 16 -2.874 -4.782 -6.238 1.00 0.00 C ATOM 259 CE LYS A 16 -1.886 -4.613 -7.402 1.00 0.00 C ATOM 260 NZ LYS A 16 -0.835 -5.661 -7.223 1.00 0.00 N ATOM 0 H LYS A 16 -4.557 -1.879 -2.765 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.891 -3.095 -2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.132 -3.688 -3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.576 -2.487 -5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.317 -3.742 -5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.094 -5.015 -4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.109 -5.838 -6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.810 -4.274 -6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.392 -4.731 -8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.445 -3.616 -7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.138 -5.588 -7.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.359 -5.523 -6.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.276 -6.602 -7.244 1.00 0.00 H new ATOM 274 N ILE A 17 -2.246 -0.143 -4.081 1.00 0.00 N ATOM 275 CA ILE A 17 -1.443 1.010 -4.613 1.00 0.00 C ATOM 276 C ILE A 17 -0.354 1.358 -3.585 1.00 0.00 C ATOM 277 O ILE A 17 0.798 1.534 -3.937 1.00 0.00 O ATOM 278 CB ILE A 17 -2.416 2.188 -4.812 1.00 0.00 C ATOM 279 CG1 ILE A 17 -3.448 1.890 -5.912 1.00 0.00 C ATOM 280 CG2 ILE A 17 -1.658 3.467 -5.190 1.00 0.00 C ATOM 281 CD1 ILE A 17 -2.777 1.417 -7.208 1.00 0.00 C ATOM 0 H ILE A 17 -3.246 0.039 -3.999 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.958 0.773 -5.560 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.934 2.330 -3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.142 1.126 -5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.035 2.786 -6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.367 4.284 -5.325 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.957 3.723 -4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.111 3.305 -6.119 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.540 1.217 -7.961 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.102 2.192 -7.572 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.211 0.506 -7.013 1.00 0.00 H new ATOM 293 N ALA A 18 -0.723 1.440 -2.325 1.00 0.00 N ATOM 294 CA ALA A 18 0.271 1.761 -1.252 1.00 0.00 C ATOM 295 C ALA A 18 1.271 0.604 -1.129 1.00 0.00 C ATOM 296 O ALA A 18 2.454 0.845 -0.987 1.00 0.00 O ATOM 297 CB ALA A 18 -0.527 1.952 0.041 1.00 0.00 C ATOM 0 H ALA A 18 -1.677 1.297 -1.995 1.00 0.00 H new ATOM 0 HA ALA A 18 0.841 2.663 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.155 2.189 0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.237 2.769 -0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.067 1.034 0.274 1.00 0.00 H new ATOM 303 N LYS A 19 0.811 -0.628 -1.197 1.00 0.00 N ATOM 304 CA LYS A 19 1.724 -1.818 -1.102 1.00 0.00 C ATOM 305 C LYS A 19 2.790 -1.755 -2.209 1.00 0.00 C ATOM 306 O LYS A 19 3.896 -2.232 -2.038 1.00 0.00 O ATOM 307 CB LYS A 19 0.844 -3.057 -1.308 1.00 0.00 C ATOM 308 CG LYS A 19 0.709 -3.845 -0.003 1.00 0.00 C ATOM 309 CD LYS A 19 -0.004 -5.175 -0.275 1.00 0.00 C ATOM 310 CE LYS A 19 0.977 -6.185 -0.885 1.00 0.00 C ATOM 311 NZ LYS A 19 0.184 -7.418 -1.172 1.00 0.00 N ATOM 0 H LYS A 19 -0.175 -0.862 -1.316 1.00 0.00 H new ATOM 0 HA LYS A 19 2.236 -1.844 -0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.142 -2.755 -1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.277 -3.693 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.694 -4.030 0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.148 -3.263 0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.416 -5.572 0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.842 -5.015 -0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.425 -5.790 -1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.793 -6.399 -0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.805 -8.140 -1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.224 -7.782 -0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.581 -7.191 -1.839 1.00 0.00 H new ATOM 325 N ARG A 20 2.456 -1.170 -3.338 1.00 0.00 N ATOM 326 CA ARG A 20 3.418 -1.054 -4.477 1.00 0.00 C ATOM 327 C ARG A 20 4.398 0.108 -4.251 1.00 0.00 C ATOM 328 O ARG A 20 5.571 -0.020 -4.563 1.00 0.00 O ATOM 329 CB ARG A 20 2.558 -0.810 -5.726 1.00 0.00 C ATOM 330 CG ARG A 20 2.598 -2.028 -6.653 1.00 0.00 C ATOM 331 CD ARG A 20 3.661 -1.829 -7.738 1.00 0.00 C ATOM 332 NE ARG A 20 4.954 -2.257 -7.127 1.00 0.00 N ATOM 333 CZ ARG A 20 5.785 -3.006 -7.799 1.00 0.00 C ATOM 334 NH1 ARG A 20 5.522 -4.277 -7.971 1.00 0.00 N ATOM 335 NH2 ARG A 20 6.872 -2.473 -8.298 1.00 0.00 N ATOM 0 H ARG A 20 1.539 -0.761 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 20 4.025 -1.953 -4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.529 -0.604 -5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.920 0.070 -6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.819 -2.926 -6.077 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.621 -2.177 -7.113 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.432 -2.423 -8.623 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.705 -0.787 -8.056 1.00 0.00 H new ATOM 0 HE ARG A 20 5.189 -1.962 -6.179 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.670 -4.679 -7.580 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.169 -4.865 -8.496 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.063 -1.481 -8.160 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.528 -3.050 -8.825 1.00 0.00 H new ATOM 349 N SER A 21 3.934 1.220 -3.723 1.00 0.00 N ATOM 350 CA SER A 21 4.832 2.396 -3.477 1.00 0.00 C ATOM 351 C SER A 21 5.777 2.171 -2.287 1.00 0.00 C ATOM 352 O SER A 21 6.837 2.763 -2.266 1.00 0.00 O ATOM 353 CB SER A 21 3.920 3.599 -3.211 1.00 0.00 C ATOM 354 OG SER A 21 4.579 4.787 -3.637 1.00 0.00 O ATOM 0 H SER A 21 2.962 1.363 -3.450 1.00 0.00 H new ATOM 0 HA SER A 21 5.472 2.557 -4.345 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.977 3.481 -3.744 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.681 3.662 -2.149 1.00 0.00 H new ATOM 0 HG SER A 21 4.000 5.560 -3.471 1.00 0.00 H new ATOM 360 N ILE A 22 5.418 1.347 -1.322 1.00 0.00 N ATOM 361 CA ILE A 22 6.301 1.089 -0.134 1.00 0.00 C ATOM 362 C ILE A 22 7.698 0.650 -0.605 1.00 0.00 C ATOM 363 O ILE A 22 8.684 1.210 -0.161 1.00 0.00 O ATOM 364 CB ILE A 22 5.575 0.017 0.702 1.00 0.00 C ATOM 365 CG1 ILE A 22 4.431 0.675 1.482 1.00 0.00 C ATOM 366 CG2 ILE A 22 6.521 -0.651 1.707 1.00 0.00 C ATOM 367 CD1 ILE A 22 3.394 -0.382 1.871 1.00 0.00 C ATOM 0 H ILE A 22 4.536 0.835 -1.310 1.00 0.00 H new ATOM 0 HA ILE A 22 6.466 1.978 0.475 1.00 0.00 H new ATOM 0 HB ILE A 22 5.198 -0.742 0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.821 1.162 2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.964 1.450 0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.974 -1.401 2.278 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.341 -1.129 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.921 0.102 2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.583 0.091 2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.995 -0.849 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.865 -1.142 2.495 1.00 0.00 H new ATOM 379 N LYS A 23 7.779 -0.321 -1.491 1.00 0.00 N ATOM 380 CA LYS A 23 9.104 -0.804 -2.013 1.00 0.00 C ATOM 381 C LYS A 23 9.907 0.367 -2.605 1.00 0.00 C ATOM 382 O LYS A 23 11.108 0.453 -2.415 1.00 0.00 O ATOM 383 CB LYS A 23 8.781 -1.843 -3.094 1.00 0.00 C ATOM 384 CG LYS A 23 9.955 -2.812 -3.270 1.00 0.00 C ATOM 385 CD LYS A 23 10.904 -2.317 -4.366 1.00 0.00 C ATOM 386 CE LYS A 23 10.675 -3.111 -5.657 1.00 0.00 C ATOM 387 NZ LYS A 23 11.344 -2.333 -6.742 1.00 0.00 N ATOM 0 H LYS A 23 6.970 -0.806 -1.880 1.00 0.00 H new ATOM 0 HA LYS A 23 9.713 -1.237 -1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.883 -2.396 -2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.570 -1.341 -4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.497 -2.910 -2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.580 -3.803 -3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.739 -1.255 -4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.938 -2.428 -4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.096 -4.113 -5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.610 -3.228 -5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.221 -2.827 -7.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.919 -1.386 -6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.358 -2.244 -6.531 1.00 0.00 H new ATOM 401 N THR A 24 9.246 1.260 -3.309 1.00 0.00 N ATOM 402 CA THR A 24 9.935 2.444 -3.918 1.00 0.00 C ATOM 403 C THR A 24 10.283 3.437 -2.799 1.00 0.00 C ATOM 404 O THR A 24 11.346 4.030 -2.816 1.00 0.00 O ATOM 405 CB THR A 24 8.943 3.066 -4.915 1.00 0.00 C ATOM 406 OG1 THR A 24 8.326 2.051 -5.700 1.00 0.00 O ATOM 407 CG2 THR A 24 9.670 4.059 -5.828 1.00 0.00 C ATOM 0 H THR A 24 8.243 1.216 -3.489 1.00 0.00 H new ATOM 0 HA THR A 24 10.858 2.170 -4.429 1.00 0.00 H new ATOM 0 HB THR A 24 8.172 3.594 -4.354 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.696 2.461 -6.329 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.960 4.494 -6.531 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.115 4.850 -5.224 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.454 3.540 -6.379 1.00 0.00 H new ATOM 415 N LEU A 25 9.400 3.606 -1.837 1.00 0.00 N ATOM 416 CA LEU A 25 9.642 4.540 -0.693 1.00 0.00 C ATOM 417 C LEU A 25 10.855 4.038 0.098 1.00 0.00 C ATOM 418 O LEU A 25 11.695 4.821 0.495 1.00 0.00 O ATOM 419 CB LEU A 25 8.377 4.510 0.181 1.00 0.00 C ATOM 420 CG LEU A 25 7.845 5.933 0.388 1.00 0.00 C ATOM 421 CD1 LEU A 25 6.553 6.125 -0.408 1.00 0.00 C ATOM 422 CD2 LEU A 25 7.564 6.163 1.875 1.00 0.00 C ATOM 0 H LEU A 25 8.503 3.123 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 25 9.844 5.557 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.613 3.893 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.602 4.054 1.145 1.00 0.00 H new ATOM 0 HG LEU A 25 8.591 6.648 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.180 7.138 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.752 5.966 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.806 5.408 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.186 7.175 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.821 5.444 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.485 6.034 2.444 1.00 0.00 H new ATOM 434 N GLU A 26 10.948 2.745 0.316 1.00 0.00 N ATOM 435 CA GLU A 26 12.102 2.164 1.071 1.00 0.00 C ATOM 436 C GLU A 26 13.405 2.409 0.301 1.00 0.00 C ATOM 437 O GLU A 26 14.369 2.871 0.876 1.00 0.00 O ATOM 438 CB GLU A 26 11.818 0.663 1.205 1.00 0.00 C ATOM 439 CG GLU A 26 10.753 0.440 2.284 1.00 0.00 C ATOM 440 CD GLU A 26 10.154 -0.964 2.155 1.00 0.00 C ATOM 441 OE1 GLU A 26 9.514 -1.242 1.154 1.00 0.00 O ATOM 442 OE2 GLU A 26 10.352 -1.744 3.070 1.00 0.00 O ATOM 0 H GLU A 26 10.262 2.060 -0.003 1.00 0.00 H new ATOM 0 HA GLU A 26 12.216 2.624 2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.476 0.260 0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.733 0.131 1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.195 0.565 3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.967 1.189 2.189 1.00 0.00 H new ATOM 449 N HIS A 27 13.446 2.118 -0.979 1.00 0.00 N ATOM 450 CA HIS A 27 14.692 2.341 -1.789 1.00 0.00 C ATOM 451 C HIS A 27 15.207 3.790 -1.686 1.00 0.00 C ATOM 452 O HIS A 27 16.379 4.032 -1.911 1.00 0.00 O ATOM 453 CB HIS A 27 14.335 2.011 -3.242 1.00 0.00 C ATOM 454 CG HIS A 27 14.749 0.601 -3.566 1.00 0.00 C ATOM 455 ND1 HIS A 27 13.851 -0.453 -3.565 1.00 0.00 N ATOM 456 CD2 HIS A 27 15.964 0.054 -3.903 1.00 0.00 C ATOM 457 CE1 HIS A 27 14.527 -1.567 -3.892 1.00 0.00 C ATOM 458 NE2 HIS A 27 15.821 -1.315 -4.109 1.00 0.00 N ATOM 0 H HIS A 27 12.662 1.731 -1.504 1.00 0.00 H new ATOM 0 HA HIS A 27 15.494 1.706 -1.412 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.263 2.129 -3.397 1.00 0.00 H new ATOM 0 HB3 HIS A 27 14.833 2.709 -3.915 1.00 0.00 H new ATOM 0 HD1 HIS A 27 12.855 -0.394 -3.354 1.00 0.00 H new ATOM 0 HD2 HIS A 27 16.889 0.603 -3.994 1.00 0.00 H new ATOM 0 HE1 HIS A 27 14.079 -2.547 -3.970 1.00 0.00 H new ATOM 466 N LYS A 28 14.364 4.744 -1.359 1.00 0.00 N ATOM 467 CA LYS A 28 14.803 6.169 -1.245 1.00 0.00 C ATOM 468 C LYS A 28 14.929 6.599 0.229 1.00 0.00 C ATOM 469 O LYS A 28 15.883 7.259 0.589 1.00 0.00 O ATOM 470 CB LYS A 28 13.717 6.998 -1.945 1.00 0.00 C ATOM 471 CG LYS A 28 13.670 6.688 -3.447 1.00 0.00 C ATOM 472 CD LYS A 28 14.592 7.638 -4.218 1.00 0.00 C ATOM 473 CE LYS A 28 15.878 6.904 -4.619 1.00 0.00 C ATOM 474 NZ LYS A 28 16.540 7.761 -5.646 1.00 0.00 N ATOM 0 H LYS A 28 13.375 4.589 -1.164 1.00 0.00 H new ATOM 0 HA LYS A 28 15.784 6.312 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.747 6.786 -1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.912 8.060 -1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.973 5.656 -3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.648 6.786 -3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.083 8.011 -5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.834 8.504 -3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.528 6.757 -3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.654 5.916 -5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.424 7.310 -5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.905 7.878 -6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.753 8.693 -5.236 1.00 0.00 H new ATOM 488 N ARG A 29 13.981 6.239 1.068 1.00 0.00 N ATOM 489 CA ARG A 29 14.017 6.621 2.518 1.00 0.00 C ATOM 490 C ARG A 29 14.710 5.564 3.389 1.00 0.00 C ATOM 491 O ARG A 29 15.577 5.921 4.164 1.00 0.00 O ATOM 492 CB ARG A 29 12.546 6.799 2.919 1.00 0.00 C ATOM 493 CG ARG A 29 12.437 7.459 4.297 1.00 0.00 C ATOM 494 CD ARG A 29 12.303 8.978 4.146 1.00 0.00 C ATOM 495 NE ARG A 29 12.685 9.543 5.473 1.00 0.00 N ATOM 496 CZ ARG A 29 11.776 9.771 6.384 1.00 0.00 C ATOM 497 NH1 ARG A 29 11.065 10.868 6.328 1.00 0.00 N ATOM 498 NH2 ARG A 29 11.585 8.899 7.341 1.00 0.00 N ATOM 0 H ARG A 29 13.168 5.685 0.801 1.00 0.00 H new ATOM 0 HA ARG A 29 14.600 7.529 2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.033 7.410 2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 29 12.048 5.830 2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.574 7.062 4.832 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.318 7.222 4.893 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.954 9.353 3.357 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.284 9.258 3.878 1.00 0.00 H new ATOM 0 HE ARG A 29 13.663 9.753 5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.222 11.539 5.576 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.354 11.052 7.036 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.144 8.047 7.373 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.877 9.072 8.055 1.00 0.00 H new ATOM 512 N GLU A 30 14.352 4.302 3.278 1.00 0.00 N ATOM 513 CA GLU A 30 15.008 3.239 4.112 1.00 0.00 C ATOM 514 C GLU A 30 16.519 3.251 3.831 1.00 0.00 C ATOM 515 O GLU A 30 17.307 3.337 4.754 1.00 0.00 O ATOM 516 CB GLU A 30 14.355 1.902 3.724 1.00 0.00 C ATOM 517 CG GLU A 30 14.995 0.728 4.476 1.00 0.00 C ATOM 518 CD GLU A 30 16.171 0.153 3.676 1.00 0.00 C ATOM 519 OE1 GLU A 30 15.939 -0.361 2.595 1.00 0.00 O ATOM 520 OE2 GLU A 30 17.287 0.234 4.160 1.00 0.00 O ATOM 0 H GLU A 30 13.630 3.962 2.642 1.00 0.00 H new ATOM 0 HA GLU A 30 14.877 3.405 5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.288 1.939 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.454 1.745 2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.342 1.061 5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.251 -0.049 4.649 1.00 0.00 H new ATOM 527 N ASN A 31 16.912 3.178 2.580 1.00 0.00 N ATOM 528 CA ASN A 31 18.370 3.197 2.235 1.00 0.00 C ATOM 529 C ASN A 31 18.921 4.607 2.502 1.00 0.00 C ATOM 530 O ASN A 31 19.868 4.764 3.251 1.00 0.00 O ATOM 531 CB ASN A 31 18.472 2.839 0.744 1.00 0.00 C ATOM 532 CG ASN A 31 19.940 2.844 0.298 1.00 0.00 C ATOM 533 OD1 ASN A 31 20.589 1.818 0.302 1.00 0.00 O ATOM 534 ND2 ASN A 31 20.505 3.957 -0.090 1.00 0.00 N ATOM 0 H ASN A 31 16.283 3.106 1.781 1.00 0.00 H new ATOM 0 HA ASN A 31 18.947 2.490 2.831 1.00 0.00 H new ATOM 0 HB2 ASN A 31 18.034 1.857 0.567 1.00 0.00 H new ATOM 0 HB3 ASN A 31 17.902 3.554 0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 31 21.481 3.957 -0.385 1.00 0.00 H new ATOM 0 HD22 ASN A 31 19.970 4.825 -0.098 1.00 0.00 H new ATOM 541 N ALA A 32 18.323 5.611 1.890 1.00 0.00 N ATOM 542 CA ALA A 32 18.725 7.051 2.035 1.00 0.00 C ATOM 543 C ALA A 32 20.126 7.370 1.477 1.00 0.00 C ATOM 544 O ALA A 32 20.261 8.310 0.713 1.00 0.00 O ATOM 545 CB ALA A 32 18.601 7.387 3.526 1.00 0.00 C ATOM 0 H ALA A 32 17.530 5.478 1.263 1.00 0.00 H new ATOM 0 HA ALA A 32 18.067 7.676 1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 32 18.883 8.427 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 32 17.571 7.235 3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 32 19.261 6.738 4.101 1.00 0.00 H new ATOM 551 N LYS A 33 21.157 6.634 1.833 1.00 0.00 N ATOM 552 CA LYS A 33 22.536 6.911 1.318 1.00 0.00 C ATOM 553 C LYS A 33 23.314 5.605 1.093 1.00 0.00 C ATOM 554 O LYS A 33 22.896 4.540 1.513 1.00 0.00 O ATOM 555 CB LYS A 33 23.215 7.762 2.398 1.00 0.00 C ATOM 556 CG LYS A 33 23.465 9.184 1.879 1.00 0.00 C ATOM 557 CD LYS A 33 22.981 10.218 2.901 1.00 0.00 C ATOM 558 CE LYS A 33 21.547 10.656 2.573 1.00 0.00 C ATOM 559 NZ LYS A 33 20.672 10.066 3.629 1.00 0.00 N ATOM 0 H LYS A 33 21.097 5.840 2.470 1.00 0.00 H new ATOM 0 HA LYS A 33 22.506 7.423 0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 33 22.588 7.798 3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 33 24.160 7.304 2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.528 9.325 1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.946 9.329 0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.019 9.794 3.904 1.00 0.00 H new ATOM 0 HD3 LYS A 33 23.644 11.083 2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.466 11.743 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.251 10.306 1.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.676 10.263 3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 20.821 9.037 3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.909 10.486 4.551 1.00 0.00 H new ATOM 573 N GLU A 34 24.444 5.698 0.438 1.00 0.00 N ATOM 574 CA GLU A 34 25.287 4.491 0.167 1.00 0.00 C ATOM 575 C GLU A 34 26.449 4.431 1.171 1.00 0.00 C ATOM 576 O GLU A 34 26.688 3.359 1.700 1.00 0.00 O ATOM 577 CB GLU A 34 25.796 4.641 -1.274 1.00 0.00 C ATOM 578 CG GLU A 34 24.621 4.654 -2.264 1.00 0.00 C ATOM 579 CD GLU A 34 24.896 3.721 -3.448 1.00 0.00 C ATOM 580 OE1 GLU A 34 24.760 2.521 -3.274 1.00 0.00 O ATOM 581 OE2 GLU A 34 25.231 4.221 -4.511 1.00 0.00 O ATOM 582 OXT GLU A 34 27.083 5.451 1.406 1.00 0.00 O ATOM 0 H GLU A 34 24.824 6.572 0.074 1.00 0.00 H new ATOM 0 HA GLU A 34 24.725 3.564 0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 34 26.369 5.564 -1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 34 26.472 3.820 -1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 34 23.708 4.344 -1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 34 24.456 5.669 -2.626 1.00 0.00 H new TER 589 GLU A 34