USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=6 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= -0.078 USER MOD Single : A 7 SER OG : rot 180:sc= 0 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+ -107:sc= 0.966 (180deg=-1.19) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.041 X(o=-0.041,f=0.0033) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -27.843 -7.161 7.929 1.00 0.00 N ATOM 2 CA CYS A 1 -26.605 -7.111 7.091 1.00 0.00 C ATOM 3 C CYS A 1 -25.690 -5.973 7.566 1.00 0.00 C ATOM 4 O CYS A 1 -26.145 -4.858 7.749 1.00 0.00 O ATOM 5 CB CYS A 1 -27.072 -6.865 5.651 1.00 0.00 C ATOM 6 SG CYS A 1 -25.795 -7.426 4.497 1.00 0.00 S ATOM 0 H1 CYS A 1 -28.455 -7.935 7.599 1.00 0.00 H new ATOM 0 H2 CYS A 1 -27.583 -7.325 8.923 1.00 0.00 H new ATOM 0 H3 CYS A 1 -28.353 -6.258 7.849 1.00 0.00 H new ATOM 0 HA CYS A 1 -26.033 -8.036 7.165 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -28.005 -7.397 5.464 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -27.274 -5.805 5.499 1.00 0.00 H new ATOM 0 HG CYS A 1 -26.192 -7.219 3.276 1.00 0.00 H new ATOM 14 N ALA A 2 -24.420 -6.248 7.764 1.00 0.00 N ATOM 15 CA ALA A 2 -23.465 -5.194 8.228 1.00 0.00 C ATOM 16 C ALA A 2 -22.393 -4.923 7.161 1.00 0.00 C ATOM 17 O ALA A 2 -21.224 -5.215 7.337 1.00 0.00 O ATOM 18 CB ALA A 2 -22.865 -5.742 9.528 1.00 0.00 C ATOM 0 H ALA A 2 -24.003 -7.168 7.622 1.00 0.00 H new ATOM 0 HA ALA A 2 -23.953 -4.234 8.398 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -22.152 -5.023 9.931 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -23.661 -5.910 10.254 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -22.355 -6.684 9.325 1.00 0.00 H new ATOM 24 N VAL A 3 -22.803 -4.358 6.049 1.00 0.00 N ATOM 25 CA VAL A 3 -21.857 -4.036 4.924 1.00 0.00 C ATOM 26 C VAL A 3 -22.093 -2.619 4.368 1.00 0.00 C ATOM 27 O VAL A 3 -21.689 -2.327 3.258 1.00 0.00 O ATOM 28 CB VAL A 3 -22.121 -5.066 3.813 1.00 0.00 C ATOM 29 CG1 VAL A 3 -21.954 -6.499 4.329 1.00 0.00 C ATOM 30 CG2 VAL A 3 -23.533 -4.886 3.236 1.00 0.00 C ATOM 0 H VAL A 3 -23.773 -4.100 5.868 1.00 0.00 H new ATOM 0 HA VAL A 3 -20.830 -4.075 5.286 1.00 0.00 H new ATOM 0 HB VAL A 3 -21.386 -4.895 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -22.148 -7.202 3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -20.937 -6.638 4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -22.659 -6.678 5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -23.702 -5.623 2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -24.270 -5.023 4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -23.631 -3.884 2.819 1.00 0.00 H new ATOM 40 N GLU A 4 -22.746 -1.753 5.116 1.00 0.00 N ATOM 41 CA GLU A 4 -23.045 -0.350 4.675 1.00 0.00 C ATOM 42 C GLU A 4 -23.933 -0.309 3.412 1.00 0.00 C ATOM 43 O GLU A 4 -24.094 0.744 2.821 1.00 0.00 O ATOM 44 CB GLU A 4 -21.677 0.311 4.449 1.00 0.00 C ATOM 45 CG GLU A 4 -21.769 1.834 4.576 1.00 0.00 C ATOM 46 CD GLU A 4 -20.775 2.486 3.612 1.00 0.00 C ATOM 47 OE1 GLU A 4 -21.092 2.582 2.437 1.00 0.00 O ATOM 48 OE2 GLU A 4 -19.713 2.873 4.067 1.00 0.00 O ATOM 0 H GLU A 4 -23.096 -1.973 6.049 1.00 0.00 H new ATOM 0 HA GLU A 4 -23.623 0.186 5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -20.960 -0.074 5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -21.302 0.048 3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -22.782 2.168 4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -21.552 2.138 5.600 1.00 0.00 H new ATOM 55 N LEU A 5 -24.503 -1.430 3.006 1.00 0.00 N ATOM 56 CA LEU A 5 -25.386 -1.535 1.800 1.00 0.00 C ATOM 57 C LEU A 5 -24.734 -0.872 0.573 1.00 0.00 C ATOM 58 O LEU A 5 -25.413 -0.334 -0.286 1.00 0.00 O ATOM 59 CB LEU A 5 -26.728 -0.888 2.188 1.00 0.00 C ATOM 60 CG LEU A 5 -27.508 -1.713 3.233 1.00 0.00 C ATOM 61 CD1 LEU A 5 -27.435 -3.219 2.956 1.00 0.00 C ATOM 62 CD2 LEU A 5 -26.972 -1.443 4.645 1.00 0.00 C ATOM 0 H LEU A 5 -24.380 -2.318 3.493 1.00 0.00 H new ATOM 0 HA LEU A 5 -25.545 -2.573 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -26.544 0.111 2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -27.341 -0.769 1.294 1.00 0.00 H new ATOM 0 HG LEU A 5 -28.549 -1.399 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -27.999 -3.757 3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -27.860 -3.429 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -26.395 -3.543 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -27.535 -2.034 5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -25.919 -1.719 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -27.081 -0.384 4.879 1.00 0.00 H new ATOM 74 N ARG A 6 -23.419 -0.913 0.495 1.00 0.00 N ATOM 75 CA ARG A 6 -22.685 -0.297 -0.652 1.00 0.00 C ATOM 76 C ARG A 6 -21.235 -0.794 -0.723 1.00 0.00 C ATOM 77 O ARG A 6 -20.835 -1.251 -1.777 1.00 0.00 O ATOM 78 CB ARG A 6 -22.728 1.219 -0.415 1.00 0.00 C ATOM 79 CG ARG A 6 -22.437 1.975 -1.718 1.00 0.00 C ATOM 80 CD ARG A 6 -23.726 2.168 -2.529 1.00 0.00 C ATOM 81 NE ARG A 6 -23.905 0.924 -3.336 1.00 0.00 N ATOM 82 CZ ARG A 6 -23.242 0.746 -4.449 1.00 0.00 C ATOM 83 NH1 ARG A 6 -23.684 1.274 -5.563 1.00 0.00 N ATOM 84 NH2 ARG A 6 -22.141 0.036 -4.431 1.00 0.00 N ATOM 0 H ARG A 6 -22.820 -1.356 1.192 1.00 0.00 H new ATOM 0 HA ARG A 6 -23.147 -0.570 -1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -23.708 1.506 -0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -21.996 1.495 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -21.995 2.945 -1.491 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -21.707 1.423 -2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -24.579 2.330 -1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -23.651 3.043 -3.175 1.00 0.00 H new ATOM 0 HE ARG A 6 -24.553 0.204 -3.015 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -24.544 1.823 -5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -23.168 1.136 -6.432 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -21.810 -0.370 -3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -21.614 -0.110 -5.292 1.00 0.00 H new ATOM 98 N SER A 7 -20.476 -0.703 0.354 1.00 0.00 N ATOM 99 CA SER A 7 -19.041 -1.148 0.394 1.00 0.00 C ATOM 100 C SER A 7 -18.158 -0.248 -0.492 1.00 0.00 C ATOM 101 O SER A 7 -18.580 0.186 -1.550 1.00 0.00 O ATOM 102 CB SER A 7 -18.960 -2.615 -0.062 1.00 0.00 C ATOM 103 OG SER A 7 -19.841 -3.433 0.705 1.00 0.00 O ATOM 0 H SER A 7 -20.810 -0.323 1.240 1.00 0.00 H new ATOM 0 HA SER A 7 -18.667 -1.064 1.414 1.00 0.00 H new ATOM 0 HB2 SER A 7 -19.217 -2.687 -1.119 1.00 0.00 H new ATOM 0 HB3 SER A 7 -17.937 -2.977 0.042 1.00 0.00 H new ATOM 0 HG SER A 7 -19.775 -4.361 0.398 1.00 0.00 H new ATOM 109 N PRO A 8 -16.947 0.017 -0.043 1.00 0.00 N ATOM 110 CA PRO A 8 -16.011 0.882 -0.821 1.00 0.00 C ATOM 111 C PRO A 8 -15.553 0.240 -2.142 1.00 0.00 C ATOM 112 O PRO A 8 -15.883 0.754 -3.197 1.00 0.00 O ATOM 113 CB PRO A 8 -14.859 1.138 0.154 1.00 0.00 C ATOM 114 CG PRO A 8 -14.888 -0.012 1.103 1.00 0.00 C ATOM 115 CD PRO A 8 -16.324 -0.443 1.212 1.00 0.00 C ATOM 0 HA PRO A 8 -16.483 1.806 -1.155 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -13.905 1.193 -0.370 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -14.990 2.085 0.678 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -14.265 -0.829 0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.496 0.280 2.077 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -16.406 -1.524 1.322 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.807 0.003 2.081 1.00 0.00 H new ATOM 123 N GLY A 9 -14.814 -0.847 -2.112 1.00 0.00 N ATOM 124 CA GLY A 9 -14.341 -1.505 -3.371 1.00 0.00 C ATOM 125 C GLY A 9 -13.000 -0.890 -3.784 1.00 0.00 C ATOM 126 O GLY A 9 -11.986 -1.564 -3.791 1.00 0.00 O ATOM 0 H GLY A 9 -14.515 -1.311 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -14.231 -2.578 -3.216 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -15.076 -1.371 -4.164 1.00 0.00 H new ATOM 130 N ILE A 10 -13.000 0.381 -4.116 1.00 0.00 N ATOM 131 CA ILE A 10 -11.743 1.083 -4.530 1.00 0.00 C ATOM 132 C ILE A 10 -10.699 1.078 -3.398 1.00 0.00 C ATOM 133 O ILE A 10 -9.519 0.993 -3.672 1.00 0.00 O ATOM 134 CB ILE A 10 -12.163 2.510 -4.926 1.00 0.00 C ATOM 135 CG1 ILE A 10 -10.975 3.197 -5.606 1.00 0.00 C ATOM 136 CG2 ILE A 10 -12.626 3.325 -3.708 1.00 0.00 C ATOM 137 CD1 ILE A 10 -11.293 4.665 -5.901 1.00 0.00 C ATOM 0 H ILE A 10 -13.833 0.970 -4.117 1.00 0.00 H new ATOM 0 HA ILE A 10 -11.261 0.578 -5.367 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.009 2.451 -5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -10.096 3.132 -4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -10.732 2.679 -6.534 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -12.914 4.326 -4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -13.481 2.832 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -11.812 3.395 -2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.435 5.133 -6.384 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.158 4.724 -6.561 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -11.512 5.184 -4.968 1.00 0.00 H new ATOM 149 N SER A 11 -11.109 1.165 -2.152 1.00 0.00 N ATOM 150 CA SER A 11 -10.132 1.163 -1.013 1.00 0.00 C ATOM 151 C SER A 11 -9.405 -0.187 -0.942 1.00 0.00 C ATOM 152 O SER A 11 -8.209 -0.214 -0.706 1.00 0.00 O ATOM 153 CB SER A 11 -10.952 1.453 0.248 1.00 0.00 C ATOM 154 OG SER A 11 -10.115 2.060 1.227 1.00 0.00 O ATOM 0 H SER A 11 -12.088 1.238 -1.874 1.00 0.00 H new ATOM 0 HA SER A 11 -9.353 1.916 -1.134 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.787 2.111 0.009 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.377 0.529 0.639 1.00 0.00 H new ATOM 0 HG SER A 11 -10.638 2.248 2.034 1.00 0.00 H new ATOM 160 N ARG A 12 -10.097 -1.286 -1.157 1.00 0.00 N ATOM 161 CA ARG A 12 -9.434 -2.630 -1.119 1.00 0.00 C ATOM 162 C ARG A 12 -8.404 -2.686 -2.258 1.00 0.00 C ATOM 163 O ARG A 12 -7.321 -3.207 -2.076 1.00 0.00 O ATOM 164 CB ARG A 12 -10.537 -3.682 -1.302 1.00 0.00 C ATOM 165 CG ARG A 12 -10.028 -5.062 -0.864 1.00 0.00 C ATOM 166 CD ARG A 12 -9.899 -5.136 0.665 1.00 0.00 C ATOM 167 NE ARG A 12 -11.253 -5.494 1.178 1.00 0.00 N ATOM 168 CZ ARG A 12 -11.450 -6.632 1.790 1.00 0.00 C ATOM 169 NH1 ARG A 12 -11.299 -6.703 3.087 1.00 0.00 N ATOM 170 NH2 ARG A 12 -11.796 -7.689 1.098 1.00 0.00 N ATOM 0 H ARG A 12 -11.097 -1.307 -1.358 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.914 -2.815 -0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.414 -3.406 -0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.849 -3.715 -2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.713 -5.835 -1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.061 -5.261 -1.325 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.161 -5.883 0.958 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.567 -4.182 1.075 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.031 -4.846 1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.029 -5.873 3.615 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.451 -7.588 3.570 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.910 -7.621 0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.951 -8.580 1.570 1.00 0.00 H new ATOM 184 N PHE A 13 -8.735 -2.139 -3.410 1.00 0.00 N ATOM 185 CA PHE A 13 -7.794 -2.125 -4.577 1.00 0.00 C ATOM 186 C PHE A 13 -6.617 -1.193 -4.233 1.00 0.00 C ATOM 187 O PHE A 13 -5.478 -1.507 -4.529 1.00 0.00 O ATOM 188 CB PHE A 13 -8.639 -1.656 -5.786 1.00 0.00 C ATOM 189 CG PHE A 13 -7.950 -0.593 -6.619 1.00 0.00 C ATOM 190 CD1 PHE A 13 -6.886 -0.931 -7.465 1.00 0.00 C ATOM 191 CD2 PHE A 13 -8.382 0.736 -6.542 1.00 0.00 C ATOM 192 CE1 PHE A 13 -6.255 0.060 -8.228 1.00 0.00 C ATOM 193 CE2 PHE A 13 -7.753 1.725 -7.304 1.00 0.00 C ATOM 194 CZ PHE A 13 -6.689 1.387 -8.147 1.00 0.00 C ATOM 0 H PHE A 13 -9.635 -1.694 -3.590 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.353 -3.093 -4.815 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.865 -2.515 -6.418 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.591 -1.266 -5.426 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.552 -1.956 -7.529 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -9.204 0.998 -5.892 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.433 -0.201 -8.879 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -8.088 2.750 -7.242 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.203 2.151 -8.735 1.00 0.00 H new ATOM 204 N ARG A 14 -6.894 -0.063 -3.611 1.00 0.00 N ATOM 205 CA ARG A 14 -5.819 0.911 -3.226 1.00 0.00 C ATOM 206 C ARG A 14 -4.759 0.265 -2.321 1.00 0.00 C ATOM 207 O ARG A 14 -3.625 0.707 -2.329 1.00 0.00 O ATOM 208 CB ARG A 14 -6.519 2.053 -2.486 1.00 0.00 C ATOM 209 CG ARG A 14 -7.167 3.002 -3.495 1.00 0.00 C ATOM 210 CD ARG A 14 -8.255 3.821 -2.795 1.00 0.00 C ATOM 211 NE ARG A 14 -7.900 5.244 -3.060 1.00 0.00 N ATOM 212 CZ ARG A 14 -8.589 5.942 -3.921 1.00 0.00 C ATOM 213 NH1 ARG A 14 -9.693 6.527 -3.531 1.00 0.00 N ATOM 214 NH2 ARG A 14 -8.169 6.044 -5.157 1.00 0.00 N ATOM 0 H ARG A 14 -7.837 0.227 -3.351 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.293 1.263 -4.114 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.276 1.652 -1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.800 2.596 -1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.415 3.665 -3.922 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.597 2.435 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.243 3.581 -3.188 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.278 3.613 -1.725 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.117 5.673 -2.567 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.005 6.434 -2.564 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.241 7.076 -4.194 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.307 5.579 -5.443 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.704 6.588 -5.834 1.00 0.00 H new ATOM 228 N ARG A 15 -5.098 -0.756 -1.559 1.00 0.00 N ATOM 229 CA ARG A 15 -4.095 -1.425 -0.665 1.00 0.00 C ATOM 230 C ARG A 15 -2.885 -1.884 -1.498 1.00 0.00 C ATOM 231 O ARG A 15 -1.751 -1.666 -1.110 1.00 0.00 O ATOM 232 CB ARG A 15 -4.832 -2.610 -0.021 1.00 0.00 C ATOM 233 CG ARG A 15 -3.879 -3.511 0.775 1.00 0.00 C ATOM 234 CD ARG A 15 -3.073 -2.692 1.792 1.00 0.00 C ATOM 235 NE ARG A 15 -2.921 -3.580 2.980 1.00 0.00 N ATOM 236 CZ ARG A 15 -1.753 -4.081 3.287 1.00 0.00 C ATOM 237 NH1 ARG A 15 -0.926 -3.386 4.025 1.00 0.00 N ATOM 238 NH2 ARG A 15 -1.422 -5.270 2.854 1.00 0.00 N ATOM 0 H ARG A 15 -6.036 -1.156 -1.520 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.708 -0.757 0.104 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.614 -2.236 0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.324 -3.197 -0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.449 -4.282 1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.199 -4.021 0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.102 -2.407 1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.592 -1.770 2.054 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.733 -3.798 3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.194 -2.460 4.357 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.013 -3.771 4.268 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.074 -5.803 2.279 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.512 -5.664 3.091 1.00 0.00 H new ATOM 252 N LYS A 16 -3.132 -2.497 -2.635 1.00 0.00 N ATOM 253 CA LYS A 16 -2.025 -2.970 -3.528 1.00 0.00 C ATOM 254 C LYS A 16 -1.282 -1.754 -4.105 1.00 0.00 C ATOM 255 O LYS A 16 -0.074 -1.799 -4.258 1.00 0.00 O ATOM 256 CB LYS A 16 -2.709 -3.792 -4.630 1.00 0.00 C ATOM 257 CG LYS A 16 -1.674 -4.554 -5.465 1.00 0.00 C ATOM 258 CD LYS A 16 -1.911 -4.297 -6.956 1.00 0.00 C ATOM 259 CE LYS A 16 -1.499 -5.523 -7.782 1.00 0.00 C ATOM 260 NZ LYS A 16 -0.017 -5.443 -7.953 1.00 0.00 N ATOM 0 H LYS A 16 -4.070 -2.692 -2.986 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.285 -3.573 -3.003 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.410 -4.496 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.288 -3.132 -5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.668 -4.238 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.741 -5.622 -5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.963 -4.070 -7.130 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.340 -3.426 -7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.781 -6.445 -7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.001 -5.525 -8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.313 -6.257 -8.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.228 -4.562 -8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.441 -5.454 -7.019 1.00 0.00 H new ATOM 274 N ILE A 17 -1.993 -0.686 -4.407 1.00 0.00 N ATOM 275 CA ILE A 17 -1.351 0.551 -4.962 1.00 0.00 C ATOM 276 C ILE A 17 -0.383 1.087 -3.895 1.00 0.00 C ATOM 277 O ILE A 17 0.711 1.513 -4.217 1.00 0.00 O ATOM 278 CB ILE A 17 -2.491 1.545 -5.265 1.00 0.00 C ATOM 279 CG1 ILE A 17 -3.466 0.976 -6.309 1.00 0.00 C ATOM 280 CG2 ILE A 17 -1.935 2.874 -5.790 1.00 0.00 C ATOM 281 CD1 ILE A 17 -2.736 0.509 -7.577 1.00 0.00 C ATOM 0 H ILE A 17 -3.004 -0.621 -4.290 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.785 0.373 -5.876 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.022 1.713 -4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.014 0.139 -5.876 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.201 1.737 -6.572 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.759 3.557 -5.996 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.277 3.314 -5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.373 2.696 -6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.460 0.114 -8.289 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.209 1.352 -8.025 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.019 -0.271 -7.318 1.00 0.00 H new ATOM 293 N ALA A 18 -0.775 1.053 -2.638 1.00 0.00 N ATOM 294 CA ALA A 18 0.107 1.540 -1.532 1.00 0.00 C ATOM 295 C ALA A 18 1.324 0.610 -1.411 1.00 0.00 C ATOM 296 O ALA A 18 2.426 1.094 -1.240 1.00 0.00 O ATOM 297 CB ALA A 18 -0.741 1.519 -0.255 1.00 0.00 C ATOM 0 H ALA A 18 -1.683 0.702 -2.332 1.00 0.00 H new ATOM 0 HA ALA A 18 0.481 2.547 -1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.141 1.867 0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.604 2.173 -0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.082 0.502 -0.061 1.00 0.00 H new ATOM 303 N LYS A 19 1.136 -0.692 -1.512 1.00 0.00 N ATOM 304 CA LYS A 19 2.284 -1.657 -1.419 1.00 0.00 C ATOM 305 C LYS A 19 3.337 -1.315 -2.488 1.00 0.00 C ATOM 306 O LYS A 19 4.521 -1.480 -2.256 1.00 0.00 O ATOM 307 CB LYS A 19 1.704 -3.060 -1.654 1.00 0.00 C ATOM 308 CG LYS A 19 2.283 -4.045 -0.633 1.00 0.00 C ATOM 309 CD LYS A 19 2.113 -5.483 -1.137 1.00 0.00 C ATOM 310 CE LYS A 19 3.449 -6.232 -1.045 1.00 0.00 C ATOM 311 NZ LYS A 19 3.423 -7.290 -2.100 1.00 0.00 N ATOM 0 H LYS A 19 0.226 -1.129 -1.656 1.00 0.00 H new ATOM 0 HA LYS A 19 2.773 -1.605 -0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.618 -3.032 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.936 -3.394 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.339 -3.831 -0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.779 -3.925 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.356 -5.998 -0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.760 -5.476 -2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.286 -5.551 -1.201 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.577 -6.674 -0.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.313 -7.827 -2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.625 -7.934 -1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.312 -6.846 -3.034 1.00 0.00 H new ATOM 325 N ARG A 20 2.909 -0.833 -3.639 1.00 0.00 N ATOM 326 CA ARG A 20 3.858 -0.459 -4.733 1.00 0.00 C ATOM 327 C ARG A 20 4.561 0.854 -4.353 1.00 0.00 C ATOM 328 O ARG A 20 5.757 0.974 -4.541 1.00 0.00 O ATOM 329 CB ARG A 20 3.013 -0.289 -6.002 1.00 0.00 C ATOM 330 CG ARG A 20 3.913 -0.435 -7.231 1.00 0.00 C ATOM 331 CD ARG A 20 3.072 -0.482 -8.513 1.00 0.00 C ATOM 332 NE ARG A 20 3.949 0.090 -9.578 1.00 0.00 N ATOM 333 CZ ARG A 20 3.440 0.808 -10.546 1.00 0.00 C ATOM 334 NH1 ARG A 20 2.932 1.985 -10.281 1.00 0.00 N ATOM 335 NH2 ARG A 20 3.444 0.345 -11.771 1.00 0.00 N ATOM 0 H ARG A 20 1.925 -0.683 -3.864 1.00 0.00 H new ATOM 0 HA ARG A 20 4.627 -1.215 -4.893 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.219 -1.036 -6.027 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.531 0.689 -6.004 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.612 0.400 -7.278 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.508 -1.344 -7.147 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.776 -1.503 -8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.155 0.098 -8.404 1.00 0.00 H new ATOM 0 HE ARG A 20 4.954 -0.081 -9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.934 2.338 -9.324 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.534 2.549 -11.032 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.843 -0.573 -11.968 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.048 0.902 -12.528 1.00 0.00 H new ATOM 349 N SER A 21 3.836 1.816 -3.819 1.00 0.00 N ATOM 350 CA SER A 21 4.467 3.114 -3.415 1.00 0.00 C ATOM 351 C SER A 21 5.433 2.843 -2.253 1.00 0.00 C ATOM 352 O SER A 21 6.524 3.377 -2.222 1.00 0.00 O ATOM 353 CB SER A 21 3.337 4.053 -2.982 1.00 0.00 C ATOM 354 OG SER A 21 3.644 5.371 -3.424 1.00 0.00 O ATOM 0 H SER A 21 2.833 1.755 -3.647 1.00 0.00 H new ATOM 0 HA SER A 21 5.028 3.569 -4.231 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.389 3.724 -3.406 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.225 4.035 -1.898 1.00 0.00 H new ATOM 0 HG SER A 21 2.927 5.982 -3.154 1.00 0.00 H new ATOM 360 N ILE A 22 5.036 2.008 -1.314 1.00 0.00 N ATOM 361 CA ILE A 22 5.920 1.674 -0.153 1.00 0.00 C ATOM 362 C ILE A 22 7.198 1.027 -0.711 1.00 0.00 C ATOM 363 O ILE A 22 8.268 1.288 -0.198 1.00 0.00 O ATOM 364 CB ILE A 22 5.119 0.720 0.754 1.00 0.00 C ATOM 365 CG1 ILE A 22 3.993 1.492 1.456 1.00 0.00 C ATOM 366 CG2 ILE A 22 6.022 0.106 1.832 1.00 0.00 C ATOM 367 CD1 ILE A 22 2.830 0.548 1.777 1.00 0.00 C ATOM 0 H ILE A 22 4.129 1.542 -1.306 1.00 0.00 H new ATOM 0 HA ILE A 22 6.217 2.544 0.433 1.00 0.00 H new ATOM 0 HB ILE A 22 4.708 -0.072 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.369 1.944 2.374 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.646 2.305 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.435 -0.564 2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.827 -0.455 1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.447 0.900 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.036 1.105 2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.446 0.116 0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.179 -0.250 2.432 1.00 0.00 H new ATOM 379 N LYS A 23 7.095 0.212 -1.747 1.00 0.00 N ATOM 380 CA LYS A 23 8.294 -0.452 -2.362 1.00 0.00 C ATOM 381 C LYS A 23 9.358 0.589 -2.739 1.00 0.00 C ATOM 382 O LYS A 23 10.521 0.403 -2.440 1.00 0.00 O ATOM 383 CB LYS A 23 7.803 -1.188 -3.617 1.00 0.00 C ATOM 384 CG LYS A 23 8.705 -2.399 -3.893 1.00 0.00 C ATOM 385 CD LYS A 23 8.015 -3.709 -3.485 1.00 0.00 C ATOM 386 CE LYS A 23 7.502 -3.656 -2.037 1.00 0.00 C ATOM 387 NZ LYS A 23 8.686 -3.683 -1.123 1.00 0.00 N ATOM 0 H LYS A 23 6.210 -0.022 -2.197 1.00 0.00 H new ATOM 0 HA LYS A 23 8.753 -1.144 -1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.772 -1.514 -3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.812 -0.513 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.959 -2.433 -4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.641 -2.291 -3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.181 -3.906 -4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.715 -4.538 -3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.916 -2.752 -1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.846 -4.502 -1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.748 -4.614 -0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.552 -3.509 -1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.582 -2.945 -0.398 1.00 0.00 H new ATOM 401 N THR A 24 8.968 1.671 -3.376 1.00 0.00 N ATOM 402 CA THR A 24 9.964 2.721 -3.757 1.00 0.00 C ATOM 403 C THR A 24 10.425 3.478 -2.501 1.00 0.00 C ATOM 404 O THR A 24 11.554 3.928 -2.443 1.00 0.00 O ATOM 405 CB THR A 24 9.291 3.630 -4.804 1.00 0.00 C ATOM 406 OG1 THR A 24 10.296 4.146 -5.661 1.00 0.00 O ATOM 407 CG2 THR A 24 8.544 4.817 -4.185 1.00 0.00 C ATOM 0 H THR A 24 8.005 1.870 -3.647 1.00 0.00 H new ATOM 0 HA THR A 24 10.865 2.294 -4.197 1.00 0.00 H new ATOM 0 HB THR A 24 8.560 3.021 -5.336 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.885 4.726 -6.335 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.094 5.416 -4.976 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.763 4.449 -3.520 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.243 5.431 -3.618 1.00 0.00 H new ATOM 415 N LEU A 25 9.575 3.615 -1.506 1.00 0.00 N ATOM 416 CA LEU A 25 9.959 4.336 -0.250 1.00 0.00 C ATOM 417 C LEU A 25 10.962 3.494 0.552 1.00 0.00 C ATOM 418 O LEU A 25 11.901 4.035 1.108 1.00 0.00 O ATOM 419 CB LEU A 25 8.663 4.552 0.545 1.00 0.00 C ATOM 420 CG LEU A 25 8.484 6.041 0.864 1.00 0.00 C ATOM 421 CD1 LEU A 25 7.387 6.637 -0.022 1.00 0.00 C ATOM 422 CD2 LEU A 25 8.090 6.206 2.334 1.00 0.00 C ATOM 0 H LEU A 25 8.621 3.253 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 25 10.439 5.290 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.810 4.190 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.693 3.975 1.469 1.00 0.00 H new ATOM 0 HG LEU A 25 9.423 6.560 0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.266 7.695 0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.665 6.526 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.448 6.115 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.963 7.265 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.154 5.680 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.872 5.791 2.969 1.00 0.00 H new ATOM 434 N GLU A 26 10.766 2.196 0.606 1.00 0.00 N ATOM 435 CA GLU A 26 11.692 1.290 1.360 1.00 0.00 C ATOM 436 C GLU A 26 13.101 1.391 0.759 1.00 0.00 C ATOM 437 O GLU A 26 14.069 1.611 1.465 1.00 0.00 O ATOM 438 CB GLU A 26 11.109 -0.122 1.191 1.00 0.00 C ATOM 439 CG GLU A 26 9.922 -0.303 2.143 1.00 0.00 C ATOM 440 CD GLU A 26 9.055 -1.497 1.725 1.00 0.00 C ATOM 441 OE1 GLU A 26 8.571 -1.521 0.604 1.00 0.00 O ATOM 442 OE2 GLU A 26 8.879 -2.385 2.541 1.00 0.00 O ATOM 0 H GLU A 26 9.988 1.718 0.150 1.00 0.00 H new ATOM 0 HA GLU A 26 11.775 1.551 2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.788 -0.273 0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.874 -0.870 1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.287 -0.453 3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.317 0.604 2.152 1.00 0.00 H new ATOM 449 N HIS A 27 13.201 1.243 -0.541 1.00 0.00 N ATOM 450 CA HIS A 27 14.520 1.327 -1.247 1.00 0.00 C ATOM 451 C HIS A 27 15.138 2.739 -1.199 1.00 0.00 C ATOM 452 O HIS A 27 16.287 2.897 -1.574 1.00 0.00 O ATOM 453 CB HIS A 27 14.242 0.900 -2.694 1.00 0.00 C ATOM 454 CG HIS A 27 14.097 -0.599 -2.759 1.00 0.00 C ATOM 455 ND1 HIS A 27 15.071 -1.416 -3.310 1.00 0.00 N ATOM 456 CD2 HIS A 27 13.094 -1.443 -2.343 1.00 0.00 C ATOM 457 CE1 HIS A 27 14.639 -2.686 -3.212 1.00 0.00 C ATOM 458 NE2 HIS A 27 13.440 -2.761 -2.632 1.00 0.00 N ATOM 0 H HIS A 27 12.407 1.064 -1.155 1.00 0.00 H new ATOM 0 HA HIS A 27 15.252 0.683 -0.759 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.333 1.380 -3.057 1.00 0.00 H new ATOM 0 HB3 HIS A 27 15.055 1.225 -3.343 1.00 0.00 H new ATOM 0 HD2 HIS A 27 12.177 -1.131 -1.865 1.00 0.00 H new ATOM 0 HE1 HIS A 27 15.196 -3.543 -3.561 1.00 0.00 H new ATOM 0 HE2 HIS A 27 12.895 -3.602 -2.441 1.00 0.00 H new ATOM 466 N LYS A 28 14.423 3.753 -0.755 1.00 0.00 N ATOM 467 CA LYS A 28 15.002 5.131 -0.695 1.00 0.00 C ATOM 468 C LYS A 28 15.690 5.352 0.658 1.00 0.00 C ATOM 469 O LYS A 28 16.827 5.781 0.692 1.00 0.00 O ATOM 470 CB LYS A 28 13.835 6.108 -0.884 1.00 0.00 C ATOM 471 CG LYS A 28 14.274 7.271 -1.781 1.00 0.00 C ATOM 472 CD LYS A 28 13.273 7.462 -2.926 1.00 0.00 C ATOM 473 CE LYS A 28 12.469 8.748 -2.701 1.00 0.00 C ATOM 474 NZ LYS A 28 11.797 9.054 -4.000 1.00 0.00 N ATOM 0 H LYS A 28 13.459 3.680 -0.431 1.00 0.00 H new ATOM 0 HA LYS A 28 15.755 5.282 -1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.985 5.592 -1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.505 6.487 0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.345 8.186 -1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.267 7.074 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.801 7.514 -3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.600 6.606 -2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.736 8.614 -1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.122 9.567 -2.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.234 9.923 -3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.516 9.188 -4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.173 8.265 -4.262 1.00 0.00 H new ATOM 488 N ARG A 29 15.022 5.067 1.754 1.00 0.00 N ATOM 489 CA ARG A 29 15.643 5.260 3.106 1.00 0.00 C ATOM 490 C ARG A 29 16.686 4.174 3.428 1.00 0.00 C ATOM 491 O ARG A 29 17.596 4.445 4.187 1.00 0.00 O ATOM 492 CB ARG A 29 14.508 5.282 4.144 1.00 0.00 C ATOM 493 CG ARG A 29 13.732 3.957 4.180 1.00 0.00 C ATOM 494 CD ARG A 29 12.220 4.219 4.192 1.00 0.00 C ATOM 495 NE ARG A 29 11.902 4.856 5.507 1.00 0.00 N ATOM 496 CZ ARG A 29 10.750 5.449 5.697 1.00 0.00 C ATOM 497 NH1 ARG A 29 9.734 4.759 6.149 1.00 0.00 N ATOM 498 NH2 ARG A 29 10.620 6.726 5.439 1.00 0.00 N ATOM 0 H ARG A 29 14.068 4.707 1.769 1.00 0.00 H new ATOM 0 HA ARG A 29 16.189 6.203 3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 29 14.924 5.485 5.131 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.822 6.097 3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.995 3.351 3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 29 14.015 3.387 5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.934 4.872 3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.666 3.289 4.069 1.00 0.00 H new ATOM 0 HE ARG A 29 12.588 4.828 6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.842 3.765 6.351 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.834 5.215 6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.416 7.259 5.090 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.722 7.187 5.587 1.00 0.00 H new ATOM 512 N GLU A 30 16.575 2.981 2.879 1.00 0.00 N ATOM 513 CA GLU A 30 17.575 1.894 3.166 1.00 0.00 C ATOM 514 C GLU A 30 18.990 2.347 2.765 1.00 0.00 C ATOM 515 O GLU A 30 19.930 2.201 3.530 1.00 0.00 O ATOM 516 CB GLU A 30 17.144 0.672 2.340 1.00 0.00 C ATOM 517 CG GLU A 30 16.524 -0.396 3.251 1.00 0.00 C ATOM 518 CD GLU A 30 15.181 -0.893 2.699 1.00 0.00 C ATOM 519 OE1 GLU A 30 15.133 -1.328 1.558 1.00 0.00 O ATOM 520 OE2 GLU A 30 14.210 -0.837 3.437 1.00 0.00 O ATOM 0 H GLU A 30 15.828 2.712 2.239 1.00 0.00 H new ATOM 0 HA GLU A 30 17.603 1.656 4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 30 16.423 0.974 1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.005 0.257 1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.212 -1.236 3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 30 16.379 0.016 4.250 1.00 0.00 H new ATOM 527 N ASN A 31 19.131 2.897 1.580 1.00 0.00 N ATOM 528 CA ASN A 31 20.468 3.378 1.103 1.00 0.00 C ATOM 529 C ASN A 31 20.775 4.812 1.579 1.00 0.00 C ATOM 530 O ASN A 31 21.776 5.373 1.176 1.00 0.00 O ATOM 531 CB ASN A 31 20.416 3.316 -0.431 1.00 0.00 C ATOM 532 CG ASN A 31 21.420 2.283 -0.950 1.00 0.00 C ATOM 533 OD1 ASN A 31 21.029 1.229 -1.409 1.00 0.00 O ATOM 534 ND2 ASN A 31 22.702 2.535 -0.902 1.00 0.00 N ATOM 0 H ASN A 31 18.368 3.034 0.917 1.00 0.00 H new ATOM 0 HA ASN A 31 21.264 2.755 1.510 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.410 3.053 -0.758 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.642 4.297 -0.850 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.370 1.847 -1.250 1.00 0.00 H new ATOM 0 HD22 ASN A 31 23.034 3.419 -0.517 1.00 0.00 H new ATOM 541 N ALA A 32 19.952 5.410 2.416 1.00 0.00 N ATOM 542 CA ALA A 32 20.207 6.800 2.910 1.00 0.00 C ATOM 543 C ALA A 32 20.360 6.804 4.439 1.00 0.00 C ATOM 544 O ALA A 32 21.372 7.252 4.945 1.00 0.00 O ATOM 545 CB ALA A 32 18.986 7.614 2.470 1.00 0.00 C ATOM 0 H ALA A 32 19.101 4.982 2.781 1.00 0.00 H new ATOM 0 HA ALA A 32 21.129 7.219 2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 32 19.100 8.647 2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 32 18.901 7.585 1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 32 18.086 7.190 2.916 1.00 0.00 H new ATOM 551 N LYS A 33 19.367 6.309 5.151 1.00 0.00 N ATOM 552 CA LYS A 33 19.349 6.231 6.650 1.00 0.00 C ATOM 553 C LYS A 33 19.315 7.624 7.296 1.00 0.00 C ATOM 554 O LYS A 33 18.301 8.002 7.853 1.00 0.00 O ATOM 555 CB LYS A 33 20.575 5.416 7.090 1.00 0.00 C ATOM 556 CG LYS A 33 20.143 4.006 7.510 1.00 0.00 C ATOM 557 CD LYS A 33 20.966 3.544 8.718 1.00 0.00 C ATOM 558 CE LYS A 33 20.073 3.422 9.962 1.00 0.00 C ATOM 559 NZ LYS A 33 19.442 2.066 9.911 1.00 0.00 N ATOM 0 H LYS A 33 18.520 5.935 4.722 1.00 0.00 H new ATOM 0 HA LYS A 33 18.438 5.736 6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.295 5.357 6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 33 21.075 5.915 7.920 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.082 4.001 7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 33 20.279 3.313 6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.432 2.583 8.502 1.00 0.00 H new ATOM 0 HD3 LYS A 33 21.772 4.253 8.909 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.660 3.541 10.872 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.312 4.202 9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.825 1.939 10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.878 1.978 9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.184 1.337 9.917 1.00 0.00 H new ATOM 573 N GLU A 34 20.389 8.377 7.226 1.00 0.00 N ATOM 574 CA GLU A 34 20.436 9.747 7.829 1.00 0.00 C ATOM 575 C GLU A 34 20.997 10.764 6.821 1.00 0.00 C ATOM 576 O GLU A 34 20.471 11.866 6.768 1.00 0.00 O ATOM 577 CB GLU A 34 21.350 9.619 9.054 1.00 0.00 C ATOM 578 CG GLU A 34 20.593 8.975 10.224 1.00 0.00 C ATOM 579 CD GLU A 34 21.266 7.665 10.650 1.00 0.00 C ATOM 580 OE1 GLU A 34 22.260 7.728 11.356 1.00 0.00 O ATOM 581 OE2 GLU A 34 20.777 6.613 10.264 1.00 0.00 O ATOM 582 OXT GLU A 34 21.940 10.436 6.116 1.00 0.00 O ATOM 0 H GLU A 34 21.253 8.092 6.766 1.00 0.00 H new ATOM 0 HA GLU A 34 19.445 10.106 8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 34 22.223 9.017 8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 34 21.715 10.603 9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.562 9.665 11.067 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.561 8.781 9.933 1.00 0.00 H new TER 589 GLU A 34