USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 133 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 NoAdj-H: A 1 GLY H1 : A 1 GLY N : A 9 ASP CG :(NH2R) USER MOD NoAdj-H: A 1 GLY H3 : A 1 GLY N : A 9 ASP CG :(NH2R) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -140:sc= -0.341 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -131:sc= 1.03 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.594 0.292 -0.603 1.00 0.11 N ATOM 2 CA GLY A 1 1.625 -0.334 -1.918 1.00 74.03 C ATOM 3 C GLY A 1 2.714 -1.378 -1.957 1.00 23.44 C ATOM 4 O GLY A 1 3.378 -1.570 -0.952 1.00 50.21 O ATOM 0 H2 GLY A 1 0.843 1.011 -0.578 1.00 0.11 H new ATOM 0 HA2 GLY A 1 0.660 -0.792 -2.136 1.00 74.03 H new ATOM 0 HA3 GLY A 1 1.802 0.419 -2.686 1.00 74.03 H new ATOM 8 N LEU A 2 2.892 -2.067 -3.107 1.00 61.12 N ATOM 9 CA LEU A 2 3.916 -3.107 -3.223 1.00 54.11 C ATOM 10 C LEU A 2 4.691 -2.888 -4.505 1.00 54.24 C ATOM 11 O LEU A 2 4.975 -3.843 -5.211 1.00 14.23 O ATOM 12 CB LEU A 2 3.209 -4.493 -3.218 1.00 63.20 C ATOM 13 CG LEU A 2 2.408 -4.795 -1.916 1.00 12.01 C ATOM 14 CD1 LEU A 2 1.476 -6.021 -2.137 1.00 41.41 C ATOM 15 CD2 LEU A 2 3.348 -5.066 -0.707 1.00 54.41 C ATOM 0 H LEU A 2 2.343 -1.918 -3.953 1.00 61.12 H new ATOM 0 HA LEU A 2 4.617 -3.068 -2.389 1.00 54.11 H new ATOM 0 HB2 LEU A 2 2.530 -4.546 -4.069 1.00 63.20 H new ATOM 0 HB3 LEU A 2 3.959 -5.272 -3.359 1.00 63.20 H new ATOM 0 HG LEU A 2 1.811 -3.912 -1.686 1.00 12.01 H new ATOM 0 HD11 LEU A 2 0.920 -6.225 -1.222 1.00 41.41 H new ATOM 0 HD12 LEU A 2 0.778 -5.806 -2.946 1.00 41.41 H new ATOM 0 HD13 LEU A 2 2.077 -6.892 -2.398 1.00 41.41 H new ATOM 0 HD21 LEU A 2 2.749 -5.272 0.180 1.00 54.41 H new ATOM 0 HD22 LEU A 2 3.982 -5.925 -0.925 1.00 54.41 H new ATOM 0 HD23 LEU A 2 3.972 -4.191 -0.528 1.00 54.41 H new ATOM 27 N SER A 3 5.017 -1.614 -4.828 1.00 43.14 N ATOM 28 CA SER A 3 5.638 -1.300 -6.116 1.00 2.01 C ATOM 29 C SER A 3 6.382 0.022 -6.004 1.00 63.10 C ATOM 30 O SER A 3 6.521 0.500 -4.889 1.00 44.41 O ATOM 31 CB SER A 3 4.525 -1.260 -7.204 1.00 54.55 C ATOM 32 OG SER A 3 3.638 -2.391 -7.181 1.00 3.41 O ATOM 0 H SER A 3 4.860 -0.809 -4.222 1.00 43.14 H new ATOM 0 HA SER A 3 6.365 -2.061 -6.401 1.00 2.01 H new ATOM 0 HB2 SER A 3 3.939 -0.350 -7.075 1.00 54.55 H new ATOM 0 HB3 SER A 3 4.994 -1.200 -8.186 1.00 54.55 H new ATOM 0 HG SER A 3 3.434 -2.666 -8.099 1.00 3.41 H new ATOM 38 N GLN A 4 6.859 0.609 -7.132 1.00 21.45 N ATOM 39 CA GLN A 4 7.603 1.863 -7.123 1.00 72.32 C ATOM 40 C GLN A 4 6.894 2.922 -7.961 1.00 70.53 C ATOM 41 O GLN A 4 7.498 3.545 -8.833 1.00 25.02 O ATOM 42 CB GLN A 4 9.021 1.642 -7.652 1.00 3.43 C ATOM 43 CG GLN A 4 9.070 0.872 -8.961 1.00 52.45 C ATOM 44 CD GLN A 4 9.549 -0.555 -8.782 1.00 54.31 C ATOM 45 OE1 GLN A 4 8.788 -1.429 -8.366 1.00 71.35 O ATOM 46 NE2 GLN A 4 10.816 -0.798 -9.096 1.00 32.25 N ATOM 0 H GLN A 4 6.731 0.215 -8.064 1.00 21.45 H new ATOM 0 HA GLN A 4 7.658 2.217 -6.094 1.00 72.32 H new ATOM 0 HB2 GLN A 4 9.502 2.610 -7.792 1.00 3.43 H new ATOM 0 HB3 GLN A 4 9.600 1.103 -6.902 1.00 3.43 H new ATOM 0 HG2 GLN A 4 8.077 0.864 -9.411 1.00 52.45 H new ATOM 0 HG3 GLN A 4 9.731 1.388 -9.657 1.00 52.45 H new ATOM 0 HE21 GLN A 4 11.411 -0.043 -9.437 1.00 32.25 H new ATOM 0 HE22 GLN A 4 11.195 -1.740 -8.996 1.00 32.25 H new ATOM 55 N GLY A 5 5.607 3.119 -7.691 1.00 41.34 N ATOM 56 CA GLY A 5 4.837 4.103 -8.430 1.00 11.02 C ATOM 57 C GLY A 5 5.124 5.521 -7.979 1.00 42.51 C ATOM 58 O GLY A 5 6.266 5.864 -7.672 1.00 62.01 O ATOM 0 H GLY A 5 5.084 2.615 -6.974 1.00 41.34 H new ATOM 0 HA2 GLY A 5 5.060 4.011 -9.493 1.00 11.02 H new ATOM 0 HA3 GLY A 5 3.774 3.894 -8.308 1.00 11.02 H new ATOM 62 N VAL A 6 4.086 6.350 -7.940 1.00 53.33 N ATOM 63 CA VAL A 6 4.232 7.740 -7.525 1.00 12.14 C ATOM 64 C VAL A 6 3.543 7.989 -6.188 1.00 14.23 C ATOM 65 O VAL A 6 3.965 8.845 -5.411 1.00 53.32 O ATOM 66 CB VAL A 6 3.652 8.705 -8.576 1.00 71.52 C ATOM 67 CG1 VAL A 6 4.128 8.324 -9.970 1.00 32.01 C ATOM 68 CG2 VAL A 6 2.132 8.716 -8.507 1.00 63.05 C ATOM 0 H VAL A 6 3.134 6.083 -8.191 1.00 53.33 H new ATOM 0 HA VAL A 6 5.301 7.928 -7.421 1.00 12.14 H new ATOM 0 HB VAL A 6 4.010 9.711 -8.358 1.00 71.52 H new ATOM 0 HG11 VAL A 6 3.708 9.017 -10.700 1.00 32.01 H new ATOM 0 HG12 VAL A 6 5.216 8.372 -10.009 1.00 32.01 H new ATOM 0 HG13 VAL A 6 3.801 7.310 -10.202 1.00 32.01 H new ATOM 0 HG21 VAL A 6 1.739 9.403 -9.256 1.00 63.05 H new ATOM 0 HG22 VAL A 6 1.752 7.713 -8.699 1.00 63.05 H new ATOM 0 HG23 VAL A 6 1.815 9.040 -7.516 1.00 63.05 H new ATOM 78 N GLU A 7 2.449 7.277 -5.812 1.00 72.44 N ATOM 79 CA GLU A 7 1.725 7.585 -4.570 1.00 13.45 C ATOM 80 C GLU A 7 2.233 6.642 -3.492 1.00 74.11 C ATOM 81 O GLU A 7 2.127 5.451 -3.736 1.00 72.25 O ATOM 82 CB GLU A 7 0.168 7.510 -4.695 1.00 10.24 C ATOM 83 CG GLU A 7 -0.359 6.428 -5.679 1.00 52.03 C ATOM 84 CD GLU A 7 -1.837 6.146 -5.562 1.00 43.23 C ATOM 85 OE1 GLU A 7 -2.459 6.520 -4.531 1.00 64.34 O ATOM 86 OE2 GLU A 7 -2.395 5.534 -6.514 1.00 23.44 O ATOM 0 H GLU A 7 2.061 6.500 -6.347 1.00 72.44 H new ATOM 0 HA GLU A 7 1.925 8.626 -4.315 1.00 13.45 H new ATOM 0 HB2 GLU A 7 -0.252 7.318 -3.708 1.00 10.24 H new ATOM 0 HB3 GLU A 7 -0.203 8.483 -5.016 1.00 10.24 H new ATOM 0 HG2 GLU A 7 -0.142 6.745 -6.699 1.00 52.03 H new ATOM 0 HG3 GLU A 7 0.190 5.502 -5.509 1.00 52.03 H new ATOM 93 N PRO A 8 2.797 7.062 -2.324 1.00 31.43 N ATOM 94 CA PRO A 8 3.332 6.088 -1.380 1.00 3.25 C ATOM 95 C PRO A 8 2.234 5.432 -0.583 1.00 13.32 C ATOM 96 O PRO A 8 1.120 5.930 -0.628 1.00 44.34 O ATOM 97 CB PRO A 8 4.197 6.994 -0.472 1.00 55.11 C ATOM 98 CG PRO A 8 3.436 8.339 -0.498 1.00 11.34 C ATOM 99 CD PRO A 8 2.943 8.466 -1.962 1.00 61.45 C ATOM 0 HA PRO A 8 3.871 5.266 -1.851 1.00 3.25 H new ATOM 0 HB2 PRO A 8 4.276 6.594 0.539 1.00 55.11 H new ATOM 0 HB3 PRO A 8 5.212 7.097 -0.854 1.00 55.11 H new ATOM 0 HG2 PRO A 8 2.603 8.339 0.205 1.00 11.34 H new ATOM 0 HG3 PRO A 8 4.085 9.170 -0.223 1.00 11.34 H new ATOM 0 HD2 PRO A 8 2.002 9.012 -2.035 1.00 61.45 H new ATOM 0 HD3 PRO A 8 3.662 8.984 -2.597 1.00 61.45 H new ATOM 107 N ASP A 9 2.540 4.334 0.155 1.00 2.34 N ATOM 108 CA ASP A 9 1.544 3.722 1.035 1.00 1.14 C ATOM 109 C ASP A 9 1.824 4.155 2.459 1.00 65.30 C ATOM 110 O ASP A 9 0.968 4.800 3.043 1.00 34.22 O ATOM 111 CB ASP A 9 1.530 2.171 0.950 1.00 42.43 C ATOM 112 CG ASP A 9 1.504 1.637 -0.463 1.00 32.34 C ATOM 113 OD1 ASP A 9 1.410 2.410 -1.403 1.00 5.30 O ATOM 0 H ASP A 9 3.450 3.872 0.151 1.00 2.34 H new ATOM 0 HA ASP A 9 0.560 4.060 0.709 1.00 1.14 H new ATOM 0 HB2 ASP A 9 2.411 1.781 1.460 1.00 42.43 H new ATOM 0 HB3 ASP A 9 0.659 1.795 1.486 1.00 42.43 H new ATOM 118 N ILE A 10 3.007 3.810 3.035 1.00 52.14 N ATOM 119 CA ILE A 10 3.278 4.107 4.445 1.00 22.24 C ATOM 120 C ILE A 10 4.761 4.371 4.649 1.00 23.33 C ATOM 121 O ILE A 10 5.107 5.483 5.017 1.00 31.35 O ATOM 122 CB ILE A 10 2.809 2.978 5.423 1.00 14.23 C ATOM 123 CG1 ILE A 10 1.377 2.469 5.080 1.00 42.02 C ATOM 124 CG2 ILE A 10 2.910 3.476 6.894 1.00 64.24 C ATOM 125 CD1 ILE A 10 0.891 1.311 5.994 1.00 10.52 C ATOM 0 H ILE A 10 3.766 3.336 2.546 1.00 52.14 H new ATOM 0 HA ILE A 10 2.696 4.996 4.685 1.00 22.24 H new ATOM 0 HB ILE A 10 3.473 2.122 5.303 1.00 14.23 H new ATOM 0 HG12 ILE A 10 0.677 3.301 5.159 1.00 42.02 H new ATOM 0 HG13 ILE A 10 1.359 2.134 4.043 1.00 42.02 H new ATOM 0 HG21 ILE A 10 2.582 2.686 7.569 1.00 64.24 H new ATOM 0 HG22 ILE A 10 3.943 3.740 7.119 1.00 64.24 H new ATOM 0 HG23 ILE A 10 2.275 4.352 7.026 1.00 64.24 H new ATOM 0 HD11 ILE A 10 -0.113 1.009 5.696 1.00 10.52 H new ATOM 0 HD12 ILE A 10 1.569 0.463 5.898 1.00 10.52 H new ATOM 0 HD13 ILE A 10 0.876 1.647 7.031 1.00 10.52 H new ATOM 137 N GLY A 11 5.653 3.370 4.438 1.00 54.53 N ATOM 138 CA GLY A 11 7.069 3.562 4.735 1.00 41.31 C ATOM 139 C GLY A 11 7.756 4.093 3.503 1.00 40.23 C ATOM 140 O GLY A 11 7.722 5.296 3.300 1.00 45.50 O ATOM 0 H GLY A 11 5.412 2.449 4.072 1.00 54.53 H new ATOM 0 HA2 GLY A 11 7.190 4.259 5.564 1.00 41.31 H new ATOM 0 HA3 GLY A 11 7.521 2.619 5.043 1.00 41.31 H new ATOM 144 N GLN A 12 8.368 3.214 2.673 1.00 62.42 N ATOM 145 CA GLN A 12 9.081 3.675 1.483 1.00 2.04 C ATOM 146 C GLN A 12 8.706 2.742 0.353 1.00 63.25 C ATOM 147 O GLN A 12 9.573 2.170 -0.288 1.00 44.23 O ATOM 148 CB GLN A 12 10.588 3.741 1.857 1.00 34.43 C ATOM 149 CG GLN A 12 11.462 4.513 0.831 1.00 41.34 C ATOM 150 CD GLN A 12 12.809 4.834 1.442 1.00 55.33 C ATOM 151 OE1 GLN A 12 13.083 5.997 1.697 1.00 72.13 O ATOM 152 NE2 GLN A 12 13.673 3.827 1.697 1.00 30.43 N ATOM 0 H GLN A 12 8.377 2.203 2.811 1.00 62.42 H new ATOM 0 HA GLN A 12 8.818 4.675 1.137 1.00 2.04 H new ATOM 0 HB2 GLN A 12 10.689 4.215 2.833 1.00 34.43 H new ATOM 0 HB3 GLN A 12 10.972 2.726 1.954 1.00 34.43 H new ATOM 0 HG2 GLN A 12 11.595 3.914 -0.070 1.00 41.34 H new ATOM 0 HG3 GLN A 12 10.960 5.433 0.532 1.00 41.34 H new ATOM 0 HE21 GLN A 12 13.416 2.866 1.473 1.00 30.43 H new ATOM 0 HE22 GLN A 12 14.582 4.028 2.113 1.00 30.43 H new ATOM 161 N THR A 13 7.375 2.599 0.136 1.00 61.34 N ATOM 162 CA THR A 13 6.844 1.718 -0.905 1.00 23.00 C ATOM 163 C THR A 13 5.703 2.444 -1.580 1.00 15.53 C ATOM 164 O THR A 13 5.240 3.422 -1.015 1.00 70.52 O ATOM 165 CB THR A 13 6.366 0.360 -0.320 1.00 14.35 C ATOM 166 OG1 THR A 13 5.965 -0.539 -1.371 1.00 40.33 O ATOM 167 CG2 THR A 13 5.152 0.536 0.629 1.00 63.23 C ATOM 0 H THR A 13 6.659 3.087 0.674 1.00 61.34 H new ATOM 0 HA THR A 13 7.629 1.484 -1.624 1.00 23.00 H new ATOM 0 HB THR A 13 7.211 -0.047 0.235 1.00 14.35 H new ATOM 0 HG1 THR A 13 5.090 -0.925 -1.156 1.00 40.33 H new ATOM 0 HG21 THR A 13 4.849 -0.437 1.016 1.00 63.23 H new ATOM 0 HG22 THR A 13 5.430 1.186 1.458 1.00 63.23 H new ATOM 0 HG23 THR A 13 4.323 0.982 0.080 1.00 63.23 H new ATOM 175 N TYR A 14 5.255 2.002 -2.776 1.00 12.53 N ATOM 176 CA TYR A 14 4.286 2.782 -3.546 1.00 2.50 C ATOM 177 C TYR A 14 3.395 1.874 -4.376 1.00 53.41 C ATOM 178 O TYR A 14 3.724 0.708 -4.514 1.00 33.40 O ATOM 179 CB TYR A 14 5.090 3.743 -4.465 1.00 74.23 C ATOM 180 CG TYR A 14 5.980 4.807 -3.802 1.00 33.44 C ATOM 181 CD1 TYR A 14 7.186 4.454 -3.185 1.00 40.43 C ATOM 182 CD2 TYR A 14 5.622 6.158 -3.849 1.00 4.22 C ATOM 183 CE1 TYR A 14 7.964 5.419 -2.540 1.00 22.21 C ATOM 184 CE2 TYR A 14 6.433 7.137 -3.268 1.00 13.13 C ATOM 185 CZ TYR A 14 7.599 6.766 -2.585 1.00 34.15 C ATOM 186 OH TYR A 14 8.406 7.716 -1.950 1.00 21.12 O ATOM 0 H TYR A 14 5.546 1.128 -3.214 1.00 12.53 H new ATOM 0 HA TYR A 14 3.636 3.344 -2.876 1.00 2.50 H new ATOM 0 HB2 TYR A 14 5.723 3.134 -5.110 1.00 74.23 H new ATOM 0 HB3 TYR A 14 4.379 4.259 -5.111 1.00 74.23 H new ATOM 0 HD1 TYR A 14 7.518 3.427 -3.208 1.00 40.43 H new ATOM 0 HD2 TYR A 14 4.706 6.449 -4.341 1.00 4.22 H new ATOM 0 HE1 TYR A 14 8.853 5.121 -2.004 1.00 22.21 H new ATOM 0 HE2 TYR A 14 6.161 8.179 -3.345 1.00 13.13 H new ATOM 0 HH TYR A 14 8.019 8.608 -2.072 1.00 21.12 H new ATOM 196 N PHE A 15 2.258 2.378 -4.919 1.00 35.44 N ATOM 197 CA PHE A 15 1.324 1.522 -5.666 1.00 44.41 C ATOM 198 C PHE A 15 1.788 1.304 -7.092 1.00 61.31 C ATOM 199 O PHE A 15 2.782 1.899 -7.470 1.00 41.51 O ATOM 200 CB PHE A 15 -0.110 2.125 -5.618 1.00 71.34 C ATOM 201 CG PHE A 15 -0.678 2.059 -4.191 1.00 74.32 C ATOM 202 CD1 PHE A 15 -1.203 0.848 -3.719 1.00 4.21 C ATOM 203 CD2 PHE A 15 -0.697 3.178 -3.352 1.00 31.44 C ATOM 204 CE1 PHE A 15 -1.789 0.774 -2.453 1.00 5.21 C ATOM 205 CE2 PHE A 15 -1.297 3.113 -2.091 1.00 70.45 C ATOM 206 CZ PHE A 15 -1.848 1.911 -1.642 1.00 34.03 C ATOM 0 H PHE A 15 1.976 3.356 -4.852 1.00 35.44 H new ATOM 0 HA PHE A 15 1.300 0.542 -5.189 1.00 44.41 H new ATOM 0 HB2 PHE A 15 -0.086 3.160 -5.958 1.00 71.34 H new ATOM 0 HB3 PHE A 15 -0.762 1.580 -6.300 1.00 71.34 H new ATOM 0 HD1 PHE A 15 -1.154 -0.035 -4.339 1.00 4.21 H new ATOM 0 HD2 PHE A 15 -0.244 4.101 -3.682 1.00 31.44 H new ATOM 0 HE1 PHE A 15 -2.197 -0.162 -2.101 1.00 5.21 H new ATOM 0 HE2 PHE A 15 -1.334 3.992 -1.464 1.00 70.45 H new ATOM 0 HZ PHE A 15 -2.318 1.860 -0.671 1.00 34.03 H new ATOM 216 N GLU A 16 1.100 0.443 -7.887 1.00 63.32 N ATOM 217 CA GLU A 16 1.548 0.110 -9.250 1.00 72.22 C ATOM 218 C GLU A 16 0.925 1.083 -10.241 1.00 4.54 C ATOM 219 O GLU A 16 0.199 1.961 -9.804 1.00 72.54 O ATOM 220 CB GLU A 16 1.193 -1.396 -9.486 1.00 52.14 C ATOM 221 CG GLU A 16 2.003 -2.164 -10.580 1.00 22.25 C ATOM 222 CD GLU A 16 1.201 -2.413 -11.837 1.00 33.14 C ATOM 223 OE1 GLU A 16 0.744 -1.424 -12.469 1.00 53.21 O ATOM 224 OE2 GLU A 16 1.017 -3.603 -12.215 1.00 33.13 O ATOM 0 H GLU A 16 0.240 -0.026 -7.603 1.00 63.32 H new ATOM 0 HA GLU A 16 2.623 0.221 -9.391 1.00 72.22 H new ATOM 0 HB2 GLU A 16 1.320 -1.924 -8.541 1.00 52.14 H new ATOM 0 HB3 GLU A 16 0.136 -1.456 -9.745 1.00 52.14 H new ATOM 0 HG2 GLU A 16 2.896 -1.593 -10.832 1.00 22.25 H new ATOM 0 HG3 GLU A 16 2.339 -3.118 -10.174 1.00 22.25 H new ATOM 231 N GLU A 17 1.199 0.944 -11.566 1.00 33.50 N ATOM 232 CA GLU A 17 0.672 1.832 -12.596 1.00 33.55 C ATOM 233 C GLU A 17 -0.530 1.202 -13.294 1.00 71.00 C ATOM 234 O GLU A 17 -0.680 1.308 -14.511 1.00 40.12 O ATOM 235 CB GLU A 17 1.758 2.160 -13.622 1.00 71.31 C ATOM 236 CG GLU A 17 2.344 0.933 -14.302 1.00 14.34 C ATOM 237 CD GLU A 17 3.164 1.282 -15.528 1.00 53.04 C ATOM 238 OE1 GLU A 17 2.567 1.700 -16.542 1.00 41.43 O ATOM 239 OE2 GLU A 17 4.403 1.136 -15.474 1.00 10.42 O ATOM 0 H GLU A 17 1.796 0.204 -11.934 1.00 33.50 H new ATOM 0 HA GLU A 17 0.348 2.754 -12.114 1.00 33.55 H new ATOM 0 HB2 GLU A 17 1.341 2.821 -14.381 1.00 71.31 H new ATOM 0 HB3 GLU A 17 2.560 2.708 -13.127 1.00 71.31 H new ATOM 0 HG2 GLU A 17 2.971 0.393 -13.592 1.00 14.34 H new ATOM 0 HG3 GLU A 17 1.536 0.261 -14.589 1.00 14.34 H new ATOM 246 N SER A 18 -1.383 0.546 -12.514 1.00 75.23 N ATOM 247 CA SER A 18 -2.570 -0.105 -13.057 1.00 61.15 C ATOM 248 C SER A 18 -3.589 0.928 -13.529 1.00 4.20 C ATOM 249 O SER A 18 -3.672 2.028 -12.982 1.00 50.11 O ATOM 250 CB SER A 18 -3.203 -1.019 -12.006 1.00 43.21 C ATOM 251 OG SER A 18 -4.060 -0.289 -11.145 1.00 43.14 O ATOM 0 H SER A 18 -1.275 0.451 -11.504 1.00 75.23 H new ATOM 0 HA SER A 18 -2.264 -0.706 -13.914 1.00 61.15 H new ATOM 0 HB2 SER A 18 -3.767 -1.810 -12.500 1.00 43.21 H new ATOM 0 HB3 SER A 18 -2.420 -1.502 -11.421 1.00 43.21 H new ATOM 0 HG SER A 18 -4.453 -0.896 -10.484 1.00 43.14 H new ATOM 257 N ARG A 19 -4.361 0.566 -14.548 1.00 33.13 N ATOM 258 CA ARG A 19 -5.374 1.461 -15.095 1.00 22.03 C ATOM 259 C ARG A 19 -6.744 1.070 -14.623 1.00 0.00 C ATOM 260 O ARG A 19 -6.871 0.267 -13.701 1.00 0.00 O ATOM 261 CB ARG A 19 -5.326 1.446 -16.624 1.00 3.44 C ATOM 262 CG ARG A 19 -4.755 2.719 -17.227 1.00 51.32 C ATOM 263 CD ARG A 19 -3.929 2.425 -18.470 1.00 14.11 C ATOM 264 NE ARG A 19 -4.183 3.390 -19.537 1.00 32.43 N ATOM 265 CZ ARG A 19 -3.753 3.236 -20.784 1.00 74.31 C ATOM 266 NH1 ARG A 19 -3.053 2.161 -21.120 1.00 1.23 N ATOM 267 NH2 ARG A 19 -4.025 4.158 -21.699 1.00 62.41 N ATOM 268 OXT ARG A 19 -7.825 1.595 -15.204 1.00 0.00 O ATOM 0 H ARG A 19 -4.305 -0.341 -15.012 1.00 33.13 H new ATOM 0 HA ARG A 19 -5.161 2.470 -14.741 1.00 22.03 H new ATOM 0 HB2 ARG A 19 -4.726 0.597 -16.952 1.00 3.44 H new ATOM 0 HB3 ARG A 19 -6.334 1.292 -17.009 1.00 3.44 H new ATOM 0 HG2 ARG A 19 -5.568 3.399 -17.482 1.00 51.32 H new ATOM 0 HG3 ARG A 19 -4.135 3.226 -16.488 1.00 51.32 H new ATOM 0 HD2 ARG A 19 -2.870 2.439 -18.213 1.00 14.11 H new ATOM 0 HD3 ARG A 19 -4.157 1.421 -18.828 1.00 14.11 H new ATOM 0 HE ARG A 19 -4.720 4.228 -19.312 1.00 32.43 H new ATOM 0 HH11 ARG A 19 -2.843 1.449 -20.420 1.00 1.23 H new ATOM 0 HH12 ARG A 19 -2.724 2.046 -22.079 1.00 1.23 H new ATOM 0 HH21 ARG A 19 -4.565 4.985 -21.445 1.00 62.41 H new ATOM 0 HH22 ARG A 19 -3.694 4.039 -22.657 1.00 62.41 H new TER 282 ARG A 19