USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 311 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 THR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.74) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 32 SER OG : rot 62:sc= 0.719 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -127:sc= -0.0632 (180deg=-0.424) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -11.879 -11.776 -9.868 1.00 0.00 N ATOM 2 CA THR A 1 -12.884 -11.583 -8.826 1.00 0.00 C ATOM 3 C THR A 1 -14.191 -11.105 -9.415 1.00 0.00 C ATOM 4 O THR A 1 -14.282 -10.746 -10.572 1.00 0.00 O ATOM 5 CB THR A 1 -12.364 -10.582 -7.740 1.00 0.00 C ATOM 6 OG1 THR A 1 -12.540 -11.126 -6.438 1.00 0.00 O ATOM 7 CG2 THR A 1 -13.065 -9.207 -7.686 1.00 0.00 C ATOM 0 H1 THR A 1 -10.991 -12.104 -9.437 1.00 0.00 H new ATOM 0 H2 THR A 1 -12.217 -12.486 -10.549 1.00 0.00 H new ATOM 0 H3 THR A 1 -11.712 -10.875 -10.361 1.00 0.00 H new ATOM 0 HA THR A 1 -13.066 -12.545 -8.347 1.00 0.00 H new ATOM 0 HB THR A 1 -11.325 -10.432 -8.033 1.00 0.00 H new ATOM 0 HG1 THR A 1 -12.209 -10.490 -5.770 1.00 0.00 H new ATOM 0 HG21 THR A 1 -12.619 -8.602 -6.896 1.00 0.00 H new ATOM 0 HG22 THR A 1 -12.945 -8.700 -8.643 1.00 0.00 H new ATOM 0 HG23 THR A 1 -14.126 -9.347 -7.480 1.00 0.00 H new ATOM 17 N PRO A 2 -15.229 -11.109 -8.597 1.00 0.00 N ATOM 18 CA PRO A 2 -16.636 -10.604 -8.911 1.00 0.00 C ATOM 19 C PRO A 2 -16.703 -9.180 -9.420 1.00 0.00 C ATOM 20 O PRO A 2 -15.711 -8.594 -9.872 1.00 0.00 O ATOM 21 CB PRO A 2 -17.425 -10.677 -7.608 1.00 0.00 C ATOM 22 CG PRO A 2 -16.725 -11.837 -6.880 1.00 0.00 C ATOM 23 CD PRO A 2 -15.244 -11.617 -7.203 1.00 0.00 C ATOM 0 HA PRO A 2 -17.034 -11.227 -9.712 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -17.368 -9.746 -7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -18.482 -10.881 -7.781 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -16.911 -11.808 -5.806 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -17.075 -12.805 -7.238 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.792 -10.901 -6.517 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -14.678 -12.544 -7.114 1.00 0.00 H new ATOM 31 N ASP A 3 -17.881 -8.590 -9.328 1.00 0.00 N ATOM 32 CA ASP A 3 -18.068 -7.175 -9.636 1.00 0.00 C ATOM 33 C ASP A 3 -17.040 -6.326 -8.926 1.00 0.00 C ATOM 34 O ASP A 3 -17.153 -6.029 -7.729 1.00 0.00 O ATOM 35 CB ASP A 3 -19.515 -6.736 -9.294 1.00 0.00 C ATOM 36 CG ASP A 3 -20.024 -5.455 -9.970 1.00 0.00 C ATOM 37 OD1 ASP A 3 -19.134 -4.942 -10.871 1.00 0.00 O ATOM 38 OD2 ASP A 3 -21.104 -4.946 -9.707 1.00 0.00 O ATOM 0 H ASP A 3 -18.733 -9.071 -9.040 1.00 0.00 H new ATOM 0 HA ASP A 3 -17.920 -7.028 -10.706 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -20.189 -7.551 -9.557 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -19.584 -6.602 -8.214 1.00 0.00 H new ATOM 43 N VAL A 4 -16.012 -5.927 -9.652 1.00 0.00 N ATOM 44 CA VAL A 4 -14.927 -5.132 -9.083 1.00 0.00 C ATOM 45 C VAL A 4 -15.070 -3.672 -9.444 1.00 0.00 C ATOM 46 O VAL A 4 -14.087 -2.920 -9.515 1.00 0.00 O ATOM 47 CB VAL A 4 -13.536 -5.700 -9.576 1.00 0.00 C ATOM 48 CG1 VAL A 4 -12.957 -5.078 -10.877 1.00 0.00 C ATOM 49 CG2 VAL A 4 -12.404 -5.581 -8.528 1.00 0.00 C ATOM 0 H VAL A 4 -15.901 -6.139 -10.643 1.00 0.00 H new ATOM 0 HA VAL A 4 -14.976 -5.205 -7.997 1.00 0.00 H new ATOM 0 HB VAL A 4 -13.814 -6.737 -9.764 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.002 -5.549 -11.112 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.654 -5.240 -11.699 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -12.808 -4.008 -10.734 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.482 -5.992 -8.940 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -12.252 -4.532 -8.274 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.679 -6.135 -7.631 1.00 0.00 H new ATOM 59 N SER A 5 -16.298 -3.234 -9.651 1.00 0.00 N ATOM 60 CA SER A 5 -16.572 -1.863 -10.074 1.00 0.00 C ATOM 61 C SER A 5 -17.242 -1.083 -8.967 1.00 0.00 C ATOM 62 O SER A 5 -16.944 0.093 -8.721 1.00 0.00 O ATOM 63 CB SER A 5 -17.412 -1.842 -11.376 1.00 0.00 C ATOM 64 OG SER A 5 -17.237 -0.638 -12.131 1.00 0.00 O ATOM 0 H SER A 5 -17.132 -3.810 -9.533 1.00 0.00 H new ATOM 0 HA SER A 5 -15.621 -1.376 -10.291 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.136 -2.696 -11.994 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.466 -1.958 -11.124 1.00 0.00 H new ATOM 0 HG SER A 5 -17.787 -0.677 -12.941 1.00 0.00 H new ATOM 70 N SER A 6 -18.145 -1.739 -8.262 1.00 0.00 N ATOM 71 CA SER A 6 -18.758 -1.172 -7.065 1.00 0.00 C ATOM 72 C SER A 6 -18.270 -1.877 -5.821 1.00 0.00 C ATOM 73 O SER A 6 -19.013 -2.077 -4.850 1.00 0.00 O ATOM 74 CB SER A 6 -20.304 -1.204 -7.169 1.00 0.00 C ATOM 75 OG SER A 6 -20.830 -0.148 -7.980 1.00 0.00 O ATOM 0 H SER A 6 -18.476 -2.675 -8.497 1.00 0.00 H new ATOM 0 HA SER A 6 -18.455 -0.128 -6.989 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.615 -2.163 -7.583 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.732 -1.135 -6.169 1.00 0.00 H new ATOM 0 HG SER A 6 -21.807 -0.216 -8.013 1.00 0.00 H new ATOM 81 N ALA A 7 -17.017 -2.289 -5.837 1.00 0.00 N ATOM 82 CA ALA A 7 -16.391 -2.912 -4.670 1.00 0.00 C ATOM 83 C ALA A 7 -15.453 -1.966 -3.952 1.00 0.00 C ATOM 84 O ALA A 7 -15.113 -2.157 -2.777 1.00 0.00 O ATOM 85 CB ALA A 7 -15.682 -4.189 -5.156 1.00 0.00 C ATOM 0 H ALA A 7 -16.403 -2.206 -6.647 1.00 0.00 H new ATOM 0 HA ALA A 7 -17.148 -3.169 -3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -15.202 -4.683 -4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -16.413 -4.863 -5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -14.929 -3.927 -5.899 1.00 0.00 H new ATOM 91 N LEU A 8 -15.017 -0.932 -4.646 1.00 0.00 N ATOM 92 CA LEU A 8 -14.236 0.141 -4.037 1.00 0.00 C ATOM 93 C LEU A 8 -15.085 0.968 -3.101 1.00 0.00 C ATOM 94 O LEU A 8 -14.596 1.559 -2.128 1.00 0.00 O ATOM 95 CB LEU A 8 -13.589 1.034 -5.134 1.00 0.00 C ATOM 96 CG LEU A 8 -12.344 1.879 -4.748 1.00 0.00 C ATOM 97 CD1 LEU A 8 -12.747 3.345 -4.537 1.00 0.00 C ATOM 98 CD2 LEU A 8 -11.634 1.351 -3.491 1.00 0.00 C ATOM 0 H LEU A 8 -15.190 -0.807 -5.643 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.438 -0.312 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.309 0.389 -5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -14.354 1.717 -5.503 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.639 1.800 -5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.867 3.929 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.176 3.740 -5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.484 3.408 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.772 1.980 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.324 1.371 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.301 0.327 -3.664 1.00 0.00 H new ATOM 110 N ASP A 9 -16.370 1.050 -3.392 1.00 0.00 N ATOM 111 CA ASP A 9 -17.317 1.741 -2.520 1.00 0.00 C ATOM 112 C ASP A 9 -17.182 1.270 -1.091 1.00 0.00 C ATOM 113 O ASP A 9 -17.194 2.062 -0.139 1.00 0.00 O ATOM 114 CB ASP A 9 -18.764 1.567 -3.051 1.00 0.00 C ATOM 115 CG ASP A 9 -19.894 2.113 -2.166 1.00 0.00 C ATOM 116 OD1 ASP A 9 -20.168 1.304 -1.098 1.00 0.00 O ATOM 117 OD2 ASP A 9 -20.491 3.151 -2.412 1.00 0.00 O ATOM 0 H ASP A 9 -16.789 0.646 -4.229 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.085 2.806 -2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -18.830 2.052 -4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -18.942 0.504 -3.212 1.00 0.00 H new ATOM 122 N LYS A 10 -17.076 -0.034 -0.914 1.00 0.00 N ATOM 123 CA LYS A 10 -16.918 -0.623 0.413 1.00 0.00 C ATOM 124 C LYS A 10 -15.574 -0.269 1.004 1.00 0.00 C ATOM 125 O LYS A 10 -15.419 -0.112 2.224 1.00 0.00 O ATOM 126 CB LYS A 10 -17.097 -2.163 0.323 1.00 0.00 C ATOM 127 CG LYS A 10 -18.576 -2.617 0.411 1.00 0.00 C ATOM 128 CD LYS A 10 -19.243 -2.378 1.768 1.00 0.00 C ATOM 129 CE LYS A 10 -19.798 -3.706 2.300 1.00 0.00 C ATOM 130 NZ LYS A 10 -20.246 -3.527 3.693 1.00 0.00 N ATOM 0 H LYS A 10 -17.096 -0.713 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 10 -17.684 -0.216 1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.671 -2.516 -0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.531 -2.635 1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -19.148 -2.094 -0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -18.629 -3.681 0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.522 -1.963 2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -20.047 -1.649 1.668 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -20.629 -4.040 1.679 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.032 -4.479 2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -20.622 -4.426 4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.442 -3.227 4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -20.990 -2.801 3.728 1.00 0.00 H new ATOM 144 N LEU A 11 -14.579 -0.125 0.149 1.00 0.00 N ATOM 145 CA LEU A 11 -13.241 0.273 0.582 1.00 0.00 C ATOM 146 C LEU A 11 -12.962 1.718 0.237 1.00 0.00 C ATOM 147 O LEU A 11 -11.852 2.098 -0.160 1.00 0.00 O ATOM 148 CB LEU A 11 -12.166 -0.670 -0.030 1.00 0.00 C ATOM 149 CG LEU A 11 -11.858 -2.003 0.705 1.00 0.00 C ATOM 150 CD1 LEU A 11 -12.170 -1.871 2.203 1.00 0.00 C ATOM 151 CD2 LEU A 11 -12.631 -3.196 0.119 1.00 0.00 C ATOM 0 H LEU A 11 -14.667 -0.277 -0.856 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.194 0.182 1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.476 -0.914 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.235 -0.109 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.796 -2.201 0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.949 -2.813 2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.558 -1.078 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.224 -1.628 2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.377 -4.101 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.702 -3.010 0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.363 -3.324 -0.930 1.00 0.00 H new ATOM 163 N LYS A 12 -13.980 2.550 0.359 1.00 0.00 N ATOM 164 CA LYS A 12 -13.824 3.997 0.234 1.00 0.00 C ATOM 165 C LYS A 12 -13.518 4.610 1.582 1.00 0.00 C ATOM 166 O LYS A 12 -14.233 5.494 2.079 1.00 0.00 O ATOM 167 CB LYS A 12 -15.117 4.611 -0.371 1.00 0.00 C ATOM 168 CG LYS A 12 -14.993 6.123 -0.684 1.00 0.00 C ATOM 169 CD LYS A 12 -14.763 6.459 -2.160 1.00 0.00 C ATOM 170 CE LYS A 12 -13.487 7.301 -2.294 1.00 0.00 C ATOM 171 NZ LYS A 12 -12.869 7.048 -3.608 1.00 0.00 N ATOM 0 H LYS A 12 -14.936 2.249 0.547 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.989 4.213 -0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.369 4.077 -1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -15.942 4.458 0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -15.901 6.624 -0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -14.169 6.534 -0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.671 5.543 -2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.617 7.006 -2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.724 8.360 -2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.787 7.051 -1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.004 7.618 -3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.629 6.039 -3.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.537 7.308 -4.362 1.00 0.00 H new ATOM 185 N GLU A 13 -12.449 4.154 2.208 1.00 0.00 N ATOM 186 CA GLU A 13 -12.134 4.509 3.593 1.00 0.00 C ATOM 187 C GLU A 13 -10.958 3.700 4.086 1.00 0.00 C ATOM 188 O GLU A 13 -9.813 4.185 4.126 1.00 0.00 O ATOM 189 CB GLU A 13 -13.402 4.290 4.465 1.00 0.00 C ATOM 190 CG GLU A 13 -13.332 4.751 5.959 1.00 0.00 C ATOM 191 CD GLU A 13 -13.866 6.140 6.317 1.00 0.00 C ATOM 192 OE1 GLU A 13 -15.222 6.194 6.433 1.00 0.00 O ATOM 193 OE2 GLU A 13 -13.139 7.110 6.484 1.00 0.00 O ATOM 0 H GLU A 13 -11.770 3.527 1.777 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.846 5.558 3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.233 4.811 3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.642 3.227 4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.877 4.021 6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.289 4.705 6.272 1.00 0.00 H new ATOM 200 N PHE A 14 -11.205 2.474 4.500 1.00 0.00 N ATOM 201 CA PHE A 14 -10.140 1.512 4.765 1.00 0.00 C ATOM 202 C PHE A 14 -9.008 1.565 3.762 1.00 0.00 C ATOM 203 O PHE A 14 -7.847 1.243 4.123 1.00 0.00 O ATOM 204 CB PHE A 14 -10.719 0.059 4.782 1.00 0.00 C ATOM 205 CG PHE A 14 -9.791 -1.054 4.268 1.00 0.00 C ATOM 206 CD1 PHE A 14 -9.477 -1.138 2.908 1.00 0.00 C ATOM 207 CD2 PHE A 14 -9.288 -2.019 5.149 1.00 0.00 C ATOM 208 CE1 PHE A 14 -8.712 -2.194 2.426 1.00 0.00 C ATOM 209 CE2 PHE A 14 -8.534 -3.084 4.663 1.00 0.00 C ATOM 210 CZ PHE A 14 -8.246 -3.171 3.302 1.00 0.00 C ATOM 0 H PHE A 14 -12.144 2.111 4.664 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.730 1.786 5.737 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.007 -0.182 5.805 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -11.630 0.047 4.184 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.831 -0.378 2.228 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.485 -1.937 6.208 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.479 -2.257 1.373 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.172 -3.843 5.341 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.661 -3.997 2.926 1.00 0.00 H new ATOM 220 N GLY A 15 -9.239 1.971 2.531 1.00 0.00 N ATOM 221 CA GLY A 15 -8.208 1.943 1.491 1.00 0.00 C ATOM 222 C GLY A 15 -7.459 3.253 1.443 1.00 0.00 C ATOM 223 O GLY A 15 -6.239 3.303 1.237 1.00 0.00 O ATOM 0 H GLY A 15 -10.140 2.330 2.215 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.511 1.128 1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.667 1.746 0.522 1.00 0.00 H new ATOM 227 N ASN A 16 -8.176 4.342 1.652 1.00 0.00 N ATOM 228 CA ASN A 16 -7.566 5.661 1.787 1.00 0.00 C ATOM 229 C ASN A 16 -6.432 5.634 2.785 1.00 0.00 C ATOM 230 O ASN A 16 -5.407 6.312 2.629 1.00 0.00 O ATOM 231 CB ASN A 16 -8.649 6.694 2.214 1.00 0.00 C ATOM 232 CG ASN A 16 -8.157 7.974 2.899 1.00 0.00 C ATOM 233 OD1 ASN A 16 -7.055 8.452 2.674 1.00 0.00 O ATOM 234 ND2 ASN A 16 -8.942 8.572 3.753 1.00 0.00 N ATOM 0 H ASN A 16 -9.193 4.342 1.733 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.151 5.956 0.823 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.213 6.980 1.326 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.346 6.195 2.888 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.632 9.424 4.220 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.865 8.187 3.953 1.00 0.00 H new ATOM 241 N THR A 17 -6.608 4.869 3.846 1.00 0.00 N ATOM 242 CA THR A 17 -5.657 4.851 4.953 1.00 0.00 C ATOM 243 C THR A 17 -4.350 4.220 4.533 1.00 0.00 C ATOM 244 O THR A 17 -3.270 4.553 5.038 1.00 0.00 O ATOM 245 CB THR A 17 -6.261 4.102 6.188 1.00 0.00 C ATOM 246 OG1 THR A 17 -7.387 4.805 6.696 1.00 0.00 O ATOM 247 CG2 THR A 17 -5.329 3.930 7.408 1.00 0.00 C ATOM 0 H THR A 17 -7.406 4.246 3.969 1.00 0.00 H new ATOM 0 HA THR A 17 -5.456 5.883 5.242 1.00 0.00 H new ATOM 0 HB THR A 17 -6.486 3.117 5.779 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.754 4.323 7.466 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.858 3.398 8.198 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.447 3.361 7.115 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.023 4.910 7.773 1.00 0.00 H new ATOM 255 N LEU A 18 -4.431 3.274 3.616 1.00 0.00 N ATOM 256 CA LEU A 18 -3.242 2.662 3.030 1.00 0.00 C ATOM 257 C LEU A 18 -2.369 3.700 2.366 1.00 0.00 C ATOM 258 O LEU A 18 -1.135 3.669 2.456 1.00 0.00 O ATOM 259 CB LEU A 18 -3.642 1.546 2.022 1.00 0.00 C ATOM 260 CG LEU A 18 -4.731 0.528 2.455 1.00 0.00 C ATOM 261 CD1 LEU A 18 -4.707 -0.697 1.531 1.00 0.00 C ATOM 262 CD2 LEU A 18 -4.574 0.076 3.917 1.00 0.00 C ATOM 0 H LEU A 18 -5.312 2.907 3.256 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.664 2.206 3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.982 2.030 1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.742 0.985 1.771 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.690 1.039 2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.475 -1.404 1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.900 -0.383 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.729 -1.175 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.362 -0.635 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.602 -0.399 4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.646 0.942 4.575 1.00 0.00 H new ATOM 274 N GLU A 19 -2.996 4.657 1.706 1.00 0.00 N ATOM 275 CA GLU A 19 -2.272 5.630 0.890 1.00 0.00 C ATOM 276 C GLU A 19 -2.003 6.911 1.647 1.00 0.00 C ATOM 277 O GLU A 19 -1.966 8.009 1.072 1.00 0.00 O ATOM 278 CB GLU A 19 -3.111 5.908 -0.390 1.00 0.00 C ATOM 279 CG GLU A 19 -2.349 6.428 -1.653 1.00 0.00 C ATOM 280 CD GLU A 19 -3.025 6.287 -3.019 1.00 0.00 C ATOM 281 OE1 GLU A 19 -4.017 6.927 -3.340 1.00 0.00 O ATOM 282 OE2 GLU A 19 -2.419 5.385 -3.839 1.00 0.00 O ATOM 0 H GLU A 19 -4.008 4.786 1.716 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.298 5.220 0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.624 4.986 -0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.880 6.638 -0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.131 7.485 -1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.392 5.909 -1.701 1.00 0.00 H new ATOM 289 N ASP A 20 -1.819 6.802 2.949 1.00 0.00 N ATOM 290 CA ASP A 20 -1.395 7.934 3.768 1.00 0.00 C ATOM 291 C ASP A 20 -0.301 7.526 4.728 1.00 0.00 C ATOM 292 O ASP A 20 0.720 8.209 4.883 1.00 0.00 O ATOM 293 CB ASP A 20 -2.612 8.549 4.506 1.00 0.00 C ATOM 294 CG ASP A 20 -2.768 10.075 4.425 1.00 0.00 C ATOM 295 OD1 ASP A 20 -2.483 10.721 3.427 1.00 0.00 O ATOM 296 OD2 ASP A 20 -3.231 10.624 5.588 1.00 0.00 O ATOM 0 H ASP A 20 -1.956 5.936 3.470 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.979 8.702 3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.518 8.093 4.107 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.550 8.269 5.557 1.00 0.00 H new ATOM 301 N LYS A 21 -0.487 6.390 5.373 1.00 0.00 N ATOM 302 CA LYS A 21 0.465 5.893 6.363 1.00 0.00 C ATOM 303 C LYS A 21 1.546 5.055 5.720 1.00 0.00 C ATOM 304 O LYS A 21 2.650 4.892 6.265 1.00 0.00 O ATOM 305 CB LYS A 21 -0.298 5.081 7.446 1.00 0.00 C ATOM 306 CG LYS A 21 -0.071 3.551 7.361 1.00 0.00 C ATOM 307 CD LYS A 21 -1.353 2.714 7.309 1.00 0.00 C ATOM 308 CE LYS A 21 -1.102 1.359 7.984 1.00 0.00 C ATOM 309 NZ LYS A 21 -1.269 0.280 6.993 1.00 0.00 N ATOM 0 H LYS A 21 -1.296 5.785 5.231 1.00 0.00 H new ATOM 0 HA LYS A 21 0.959 6.744 6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.010 5.430 8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.365 5.286 7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.524 3.335 6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.517 3.236 8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.165 3.239 7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.663 2.566 6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.096 1.330 8.404 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.797 1.218 8.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.099 -0.639 7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.237 0.305 6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.589 0.413 6.217 1.00 0.00 H new ATOM 323 N ALA A 22 1.256 4.493 4.562 1.00 0.00 N ATOM 324 CA ALA A 22 2.262 3.792 3.768 1.00 0.00 C ATOM 325 C ALA A 22 3.214 4.740 3.077 1.00 0.00 C ATOM 326 O ALA A 22 4.232 4.316 2.499 1.00 0.00 O ATOM 327 CB ALA A 22 1.512 2.885 2.774 1.00 0.00 C ATOM 0 H ALA A 22 0.326 4.506 4.143 1.00 0.00 H new ATOM 0 HA ALA A 22 2.896 3.189 4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.232 2.343 2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.896 2.174 3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.876 3.496 2.133 1.00 0.00 H new ATOM 333 N ARG A 23 2.911 6.024 3.080 1.00 0.00 N ATOM 334 CA ARG A 23 3.838 7.041 2.589 1.00 0.00 C ATOM 335 C ARG A 23 5.108 7.061 3.407 1.00 0.00 C ATOM 336 O ARG A 23 6.220 7.211 2.878 1.00 0.00 O ATOM 337 CB ARG A 23 3.128 8.423 2.613 1.00 0.00 C ATOM 338 CG ARG A 23 2.741 8.982 1.218 1.00 0.00 C ATOM 339 CD ARG A 23 1.872 8.007 0.414 1.00 0.00 C ATOM 340 NE ARG A 23 2.751 7.252 -0.514 1.00 0.00 N ATOM 341 CZ ARG A 23 2.355 6.633 -1.618 1.00 0.00 C ATOM 342 NH1 ARG A 23 1.126 6.603 -2.041 1.00 0.00 N ATOM 343 NH2 ARG A 23 3.251 6.022 -2.309 1.00 0.00 N ATOM 0 H ARG A 23 2.024 6.396 3.419 1.00 0.00 H new ATOM 0 HA ARG A 23 4.126 6.804 1.565 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.226 8.341 3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.780 9.142 3.108 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.205 9.923 1.343 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.648 9.204 0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.351 7.323 1.084 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.109 8.550 -0.144 1.00 0.00 H new ATOM 0 HE ARG A 23 3.743 7.205 -0.283 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.393 7.077 -1.513 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.895 6.106 -2.901 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.223 6.026 -2.001 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.989 5.533 -3.165 1.00 0.00 H new ATOM 357 N GLU A 24 4.970 6.937 4.713 1.00 0.00 N ATOM 358 CA GLU A 24 6.097 7.099 5.629 1.00 0.00 C ATOM 359 C GLU A 24 6.901 5.824 5.731 1.00 0.00 C ATOM 360 O GLU A 24 8.139 5.831 5.749 1.00 0.00 O ATOM 361 CB GLU A 24 5.546 7.530 7.017 1.00 0.00 C ATOM 362 CG GLU A 24 4.517 8.709 7.043 1.00 0.00 C ATOM 363 CD GLU A 24 3.520 8.779 8.201 1.00 0.00 C ATOM 364 OE1 GLU A 24 3.360 7.597 8.860 1.00 0.00 O ATOM 365 OE2 GLU A 24 2.924 9.803 8.506 1.00 0.00 O ATOM 0 H GLU A 24 4.085 6.723 5.172 1.00 0.00 H new ATOM 0 HA GLU A 24 6.771 7.868 5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.076 6.661 7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.393 7.806 7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.081 9.642 7.033 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.946 8.672 6.115 1.00 0.00 H new ATOM 372 N LEU A 25 6.208 4.703 5.810 1.00 0.00 N ATOM 373 CA LEU A 25 6.846 3.390 5.835 1.00 0.00 C ATOM 374 C LEU A 25 7.533 3.075 4.526 1.00 0.00 C ATOM 375 O LEU A 25 8.460 2.252 4.465 1.00 0.00 O ATOM 376 CB LEU A 25 5.805 2.288 6.188 1.00 0.00 C ATOM 377 CG LEU A 25 5.884 0.935 5.431 1.00 0.00 C ATOM 378 CD1 LEU A 25 5.302 -0.189 6.299 1.00 0.00 C ATOM 379 CD2 LEU A 25 5.161 0.970 4.074 1.00 0.00 C ATOM 0 H LEU A 25 5.190 4.672 5.859 1.00 0.00 H new ATOM 0 HA LEU A 25 7.614 3.410 6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.891 2.078 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.811 2.704 6.024 1.00 0.00 H new ATOM 0 HG LEU A 25 6.939 0.745 5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.362 -1.134 5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.870 -0.264 7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.260 0.032 6.529 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.249 -0.002 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.108 1.204 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.613 1.733 3.440 1.00 0.00 H new ATOM 391 N ILE A 26 7.083 3.692 3.449 1.00 0.00 N ATOM 392 CA ILE A 26 7.677 3.487 2.131 1.00 0.00 C ATOM 393 C ILE A 26 9.104 3.982 2.095 1.00 0.00 C ATOM 394 O ILE A 26 9.949 3.483 1.338 1.00 0.00 O ATOM 395 CB ILE A 26 6.799 4.147 0.990 1.00 0.00 C ATOM 396 CG1 ILE A 26 5.786 3.177 0.302 1.00 0.00 C ATOM 397 CG2 ILE A 26 7.662 4.816 -0.125 1.00 0.00 C ATOM 398 CD1 ILE A 26 4.500 3.828 -0.249 1.00 0.00 C ATOM 0 H ILE A 26 6.301 4.346 3.457 1.00 0.00 H new ATOM 0 HA ILE A 26 7.697 2.414 1.939 1.00 0.00 H new ATOM 0 HB ILE A 26 6.229 4.903 1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.296 2.673 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.502 2.409 1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.007 5.252 -0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.281 5.599 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.302 4.066 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.871 3.063 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.957 4.307 0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.763 4.575 -0.998 1.00 0.00 H new ATOM 410 N SER A 27 9.393 4.993 2.893 1.00 0.00 N ATOM 411 CA SER A 27 10.760 5.478 3.060 1.00 0.00 C ATOM 412 C SER A 27 11.637 4.416 3.681 1.00 0.00 C ATOM 413 O SER A 27 12.821 4.270 3.352 1.00 0.00 O ATOM 414 CB SER A 27 10.785 6.790 3.882 1.00 0.00 C ATOM 415 OG SER A 27 11.858 6.833 4.830 1.00 0.00 O ATOM 0 H SER A 27 8.698 5.500 3.441 1.00 0.00 H new ATOM 0 HA SER A 27 11.165 5.702 2.073 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.873 7.637 3.202 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.837 6.901 4.408 1.00 0.00 H new ATOM 0 HG SER A 27 11.828 7.681 5.320 1.00 0.00 H new ATOM 421 N ARG A 28 11.059 3.638 4.576 1.00 0.00 N ATOM 422 CA ARG A 28 11.756 2.511 5.193 1.00 0.00 C ATOM 423 C ARG A 28 11.914 1.350 4.238 1.00 0.00 C ATOM 424 O ARG A 28 12.857 0.547 4.348 1.00 0.00 O ATOM 425 CB ARG A 28 10.978 2.086 6.471 1.00 0.00 C ATOM 426 CG ARG A 28 11.524 0.818 7.179 1.00 0.00 C ATOM 427 CD ARG A 28 10.405 -0.113 7.664 1.00 0.00 C ATOM 428 NE ARG A 28 11.029 -1.329 8.246 1.00 0.00 N ATOM 429 CZ ARG A 28 11.555 -1.418 9.460 1.00 0.00 C ATOM 430 NH1 ARG A 28 11.597 -0.440 10.315 1.00 0.00 N ATOM 431 NH2 ARG A 28 12.056 -2.550 9.807 1.00 0.00 N ATOM 0 H ARG A 28 10.099 3.763 4.899 1.00 0.00 H new ATOM 0 HA ARG A 28 12.765 2.824 5.462 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.993 2.914 7.179 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.935 1.914 6.203 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.173 0.274 6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.138 1.116 8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.788 0.391 8.408 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.749 -0.382 6.836 1.00 0.00 H new ATOM 0 HE ARG A 28 11.055 -2.166 7.663 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.208 0.470 10.068 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.018 -0.583 11.233 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.039 -3.336 9.157 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.471 -2.662 10.732 1.00 0.00 H new ATOM 445 N ILE A 29 11.007 1.223 3.289 1.00 0.00 N ATOM 446 CA ILE A 29 10.960 0.058 2.408 1.00 0.00 C ATOM 447 C ILE A 29 12.018 0.141 1.333 1.00 0.00 C ATOM 448 O ILE A 29 12.559 -0.876 0.872 1.00 0.00 O ATOM 449 CB ILE A 29 9.512 -0.140 1.799 1.00 0.00 C ATOM 450 CG1 ILE A 29 8.528 -0.937 2.715 1.00 0.00 C ATOM 451 CG2 ILE A 29 9.531 -0.823 0.396 1.00 0.00 C ATOM 452 CD1 ILE A 29 9.175 -1.820 3.803 1.00 0.00 C ATOM 0 H ILE A 29 10.283 1.917 3.102 1.00 0.00 H new ATOM 0 HA ILE A 29 11.181 -0.825 3.007 1.00 0.00 H new ATOM 0 HB ILE A 29 9.143 0.882 1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 29 7.861 -0.226 3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.908 -1.572 2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.510 -0.932 0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.102 -0.209 -0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.994 -1.806 0.476 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.395 -2.323 4.375 1.00 0.00 H new ATOM 0 HD12 ILE A 29 9.818 -2.564 3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 29 9.770 -1.197 4.471 1.00 0.00 H new ATOM 464 N LYS A 30 12.342 1.350 0.916 1.00 0.00 N ATOM 465 CA LYS A 30 13.339 1.570 -0.129 1.00 0.00 C ATOM 466 C LYS A 30 14.684 1.017 0.280 1.00 0.00 C ATOM 467 O LYS A 30 15.457 0.503 -0.539 1.00 0.00 O ATOM 468 CB LYS A 30 13.438 3.089 -0.444 1.00 0.00 C ATOM 469 CG LYS A 30 14.796 3.715 -0.038 1.00 0.00 C ATOM 470 CD LYS A 30 14.766 4.539 1.252 1.00 0.00 C ATOM 471 CE LYS A 30 14.074 5.881 0.981 1.00 0.00 C ATOM 472 NZ LYS A 30 15.092 6.938 0.846 1.00 0.00 N ATOM 0 H LYS A 30 11.928 2.206 1.285 1.00 0.00 H new ATOM 0 HA LYS A 30 13.027 1.041 -1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.281 3.242 -1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.635 3.613 0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.528 2.916 0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.143 4.352 -0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.235 3.994 2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.781 4.706 1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.477 5.818 0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.390 6.121 1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.625 7.849 0.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.644 7.003 1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.727 6.709 0.055 1.00 0.00 H new ATOM 486 N GLN A 31 14.998 1.137 1.556 1.00 0.00 N ATOM 487 CA GLN A 31 16.324 0.800 2.071 1.00 0.00 C ATOM 488 C GLN A 31 16.391 -0.622 2.577 1.00 0.00 C ATOM 489 O GLN A 31 16.990 -0.906 3.628 1.00 0.00 O ATOM 490 CB GLN A 31 16.675 1.797 3.199 1.00 0.00 C ATOM 491 CG GLN A 31 18.141 2.345 3.208 1.00 0.00 C ATOM 492 CD GLN A 31 18.773 2.769 4.539 1.00 0.00 C ATOM 493 OE1 GLN A 31 18.445 2.240 5.589 1.00 0.00 O ATOM 494 NE2 GLN A 31 19.662 3.729 4.565 1.00 0.00 N ATOM 0 H GLN A 31 14.348 1.469 2.268 1.00 0.00 H new ATOM 0 HA GLN A 31 17.048 0.875 1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 31 15.993 2.645 3.131 1.00 0.00 H new ATOM 0 HB3 GLN A 31 16.485 1.311 4.156 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.781 1.578 2.771 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.173 3.206 2.540 1.00 0.00 H new ATOM 0 HE21 GLN A 31 19.948 4.183 3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 31 20.069 4.024 5.453 1.00 0.00 H new ATOM 503 N SER A 32 15.799 -1.545 1.842 1.00 0.00 N ATOM 504 CA SER A 32 15.933 -2.970 2.144 1.00 0.00 C ATOM 505 C SER A 32 15.181 -3.824 1.152 1.00 0.00 C ATOM 506 O SER A 32 14.612 -4.873 1.494 1.00 0.00 O ATOM 507 CB SER A 32 15.486 -3.261 3.599 1.00 0.00 C ATOM 508 OG SER A 32 16.589 -3.431 4.496 1.00 0.00 O ATOM 0 H SER A 32 15.218 -1.339 1.029 1.00 0.00 H new ATOM 0 HA SER A 32 16.987 -3.235 2.054 1.00 0.00 H new ATOM 0 HB2 SER A 32 14.860 -2.442 3.952 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.871 -4.161 3.612 1.00 0.00 H new ATOM 0 HG SER A 32 17.117 -2.606 4.526 1.00 0.00 H new ATOM 514 N GLU A 33 15.182 -3.415 -0.103 1.00 0.00 N ATOM 515 CA GLU A 33 14.557 -4.190 -1.174 1.00 0.00 C ATOM 516 C GLU A 33 15.477 -4.359 -2.361 1.00 0.00 C ATOM 517 O GLU A 33 15.032 -4.475 -3.515 1.00 0.00 O ATOM 518 CB GLU A 33 13.244 -3.462 -1.584 1.00 0.00 C ATOM 519 CG GLU A 33 11.897 -4.185 -1.255 1.00 0.00 C ATOM 520 CD GLU A 33 10.830 -4.281 -2.348 1.00 0.00 C ATOM 521 OE1 GLU A 33 11.102 -5.216 -3.300 1.00 0.00 O ATOM 522 OE2 GLU A 33 9.826 -3.581 -2.362 1.00 0.00 O ATOM 0 H GLU A 33 15.611 -2.543 -0.414 1.00 0.00 H new ATOM 0 HA GLU A 33 14.338 -5.196 -0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 33 13.232 -2.486 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 33 13.278 -3.282 -2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.136 -5.199 -0.936 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.450 -3.678 -0.400 1.00 0.00 H new ATOM 529 N LEU A 34 16.772 -4.404 -2.111 1.00 0.00 N ATOM 530 CA LEU A 34 17.755 -4.697 -3.150 1.00 0.00 C ATOM 531 C LEU A 34 18.337 -6.080 -2.973 1.00 0.00 C ATOM 532 O LEU A 34 18.341 -6.909 -3.892 1.00 0.00 O ATOM 533 CB LEU A 34 18.878 -3.621 -3.165 1.00 0.00 C ATOM 534 CG LEU A 34 19.402 -3.082 -1.807 1.00 0.00 C ATOM 535 CD1 LEU A 34 20.718 -2.319 -2.014 1.00 0.00 C ATOM 536 CD2 LEU A 34 18.385 -2.176 -1.094 1.00 0.00 C ATOM 0 H LEU A 34 17.176 -4.240 -1.189 1.00 0.00 H new ATOM 0 HA LEU A 34 17.245 -4.670 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.728 -4.035 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.515 -2.770 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 34 19.568 -3.948 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 34 21.077 -1.945 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.463 -2.988 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.550 -1.481 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.806 -1.829 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.156 -1.318 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 34 17.471 -2.738 -0.899 1.00 0.00 H new ATOM 548 N SER A 35 18.816 -6.363 -1.775 1.00 0.00 N ATOM 549 CA SER A 35 19.514 -7.616 -1.492 1.00 0.00 C ATOM 550 C SER A 35 20.825 -7.740 -2.238 1.00 0.00 C ATOM 551 O SER A 35 21.339 -8.856 -2.434 1.00 0.00 O ATOM 552 CB SER A 35 18.588 -8.826 -1.793 1.00 0.00 C ATOM 553 OG SER A 35 18.872 -9.961 -0.970 1.00 0.00 O ATOM 0 H SER A 35 18.736 -5.739 -0.972 1.00 0.00 H new ATOM 0 HA SER A 35 19.764 -7.611 -0.431 1.00 0.00 H new ATOM 0 HB2 SER A 35 17.550 -8.528 -1.647 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.695 -9.107 -2.841 1.00 0.00 H new ATOM 0 HG SER A 35 18.261 -10.692 -1.199 1.00 0.00 H new ATOM 559 N ALA A 36 21.380 -6.636 -2.694 1.00 0.00 N ATOM 560 CA ALA A 36 22.708 -6.556 -3.302 1.00 0.00 C ATOM 561 C ALA A 36 22.638 -6.737 -4.802 1.00 0.00 C ATOM 562 O ALA A 36 23.354 -6.067 -5.565 1.00 0.00 O ATOM 563 CB ALA A 36 23.643 -7.578 -2.627 1.00 0.00 C ATOM 0 H ALA A 36 20.908 -5.733 -2.654 1.00 0.00 H new ATOM 0 HA ALA A 36 23.121 -5.561 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 36 24.633 -7.519 -3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 36 23.717 -7.356 -1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 36 23.242 -8.582 -2.761 1.00 0.00 H new ATOM 569 N LYS A 37 21.764 -7.611 -5.264 1.00 0.00 N ATOM 570 CA LYS A 37 21.633 -7.903 -6.689 1.00 0.00 C ATOM 571 C LYS A 37 20.587 -8.964 -6.938 1.00 0.00 C ATOM 572 O LYS A 37 20.764 -9.867 -7.771 1.00 0.00 O ATOM 573 CB LYS A 37 23.012 -8.348 -7.253 1.00 0.00 C ATOM 574 CG LYS A 37 23.349 -7.717 -8.626 1.00 0.00 C ATOM 575 CD LYS A 37 23.016 -8.595 -9.836 1.00 0.00 C ATOM 576 CE LYS A 37 23.960 -8.242 -10.993 1.00 0.00 C ATOM 577 NZ LYS A 37 24.111 -9.413 -11.876 1.00 0.00 N ATOM 0 H LYS A 37 21.125 -8.139 -4.670 1.00 0.00 H new ATOM 0 HA LYS A 37 21.307 -6.999 -7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 37 23.791 -8.082 -6.539 1.00 0.00 H new ATOM 0 HB3 LYS A 37 23.024 -9.434 -7.348 1.00 0.00 H new ATOM 0 HG2 LYS A 37 22.809 -6.775 -8.719 1.00 0.00 H new ATOM 0 HG3 LYS A 37 24.412 -7.479 -8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 37 23.120 -9.648 -9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 37 21.980 -8.442 -10.137 1.00 0.00 H new ATOM 0 HE2 LYS A 37 23.563 -7.397 -11.556 1.00 0.00 H new ATOM 0 HE3 LYS A 37 24.932 -7.938 -10.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 24.751 -9.176 -12.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 24.507 -10.207 -11.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 23.182 -9.683 -12.256 1.00 0.00 H new ATOM 591 N MET A 38 19.490 -8.899 -6.209 1.00 0.00 N ATOM 592 CA MET A 38 18.377 -9.829 -6.396 1.00 0.00 C ATOM 593 C MET A 38 17.499 -9.395 -7.545 1.00 0.00 C ATOM 594 O MET A 38 17.160 -8.183 -7.713 1.00 0.00 O ATOM 595 CB MET A 38 17.577 -9.935 -5.065 1.00 0.00 C ATOM 596 CG MET A 38 16.036 -9.951 -5.175 1.00 0.00 C ATOM 597 SD MET A 38 15.464 -11.633 -5.466 1.00 0.00 S ATOM 598 CE MET A 38 15.625 -12.264 -3.791 1.00 0.00 C ATOM 599 OXT MET A 38 17.119 -10.315 -8.334 1.00 0.00 O ATOM 0 H MET A 38 19.339 -8.208 -5.474 1.00 0.00 H new ATOM 0 HA MET A 38 18.763 -10.816 -6.652 1.00 0.00 H new ATOM 0 HB2 MET A 38 17.890 -10.845 -4.553 1.00 0.00 H new ATOM 0 HB3 MET A 38 17.863 -9.097 -4.430 1.00 0.00 H new ATOM 0 HG2 MET A 38 15.593 -9.559 -4.259 1.00 0.00 H new ATOM 0 HG3 MET A 38 15.713 -9.301 -5.989 1.00 0.00 H new ATOM 0 HE1 MET A 38 16.220 -13.177 -3.802 1.00 0.00 H new ATOM 0 HE2 MET A 38 16.116 -11.518 -3.167 1.00 0.00 H new ATOM 0 HE3 MET A 38 14.636 -12.481 -3.387 1.00 0.00 H new TER 609 MET A 38