USER MOD reduce.3.24.130724 H: found=0, std=0, add=166, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 168 hydrogens (8 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 6 ORN H2 : A 6 ORN N : A 5 SER C :(H bumps) USER MOD NoAdj-H: A 10 ASNHD21 : A 10 ASN ND2 : A 6 ORN CD :(H bumps) USER MOD Single : A 1 GLU N :NH3+ 167:sc= -0.0654 (180deg=-0.297) USER MOD Single : A 2 MET CE :methyl 159:sc= -0.0511 (180deg=-0.62) USER MOD Single : A 5 SER OG : rot 180:sc= 0.112 USER MOD Single : A 14 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.86) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 6.747 15.800 -15.952 1.00 0.00 N ATOM 2 CA GLU A 1 7.653 15.166 -14.951 1.00 0.00 C ATOM 3 C GLU A 1 7.186 15.434 -13.545 1.00 0.00 C ATOM 4 O GLU A 1 7.917 15.177 -12.586 1.00 0.00 O ATOM 5 CB GLU A 1 9.085 15.719 -15.111 1.00 0.00 C ATOM 6 CG GLU A 1 9.175 17.238 -14.871 1.00 0.00 C ATOM 7 CD GLU A 1 10.609 17.697 -15.113 1.00 0.00 C ATOM 8 OE1 GLU A 1 11.468 16.832 -15.434 1.00 0.00 O ATOM 9 OE2 GLU A 1 10.862 18.924 -14.983 1.00 0.00 O ATOM 0 H1 GLU A 1 7.202 15.791 -16.887 1.00 0.00 H new ATOM 0 H2 GLU A 1 5.853 15.270 -15.996 1.00 0.00 H new ATOM 0 H3 GLU A 1 6.553 16.782 -15.671 1.00 0.00 H new ATOM 0 HA GLU A 1 7.642 14.091 -15.129 1.00 0.00 H new ATOM 0 HB2 GLU A 1 9.746 15.207 -14.412 1.00 0.00 H new ATOM 0 HB3 GLU A 1 9.445 15.494 -16.115 1.00 0.00 H new ATOM 0 HG2 GLU A 1 8.494 17.765 -15.539 1.00 0.00 H new ATOM 0 HG3 GLU A 1 8.871 17.476 -13.852 1.00 0.00 H new ATOM 18 N MET A 2 5.942 15.967 -13.405 1.00 0.00 N ATOM 19 CA MET A 2 5.375 16.269 -12.105 1.00 0.00 C ATOM 20 C MET A 2 6.124 17.406 -11.498 1.00 0.00 C ATOM 21 O MET A 2 7.038 17.977 -12.092 1.00 0.00 O ATOM 22 CB MET A 2 5.400 15.098 -11.100 1.00 0.00 C ATOM 23 CG MET A 2 4.428 13.975 -11.475 1.00 0.00 C ATOM 24 SD MET A 2 4.583 12.513 -10.403 1.00 0.00 S ATOM 25 CE MET A 2 3.873 13.304 -8.930 1.00 0.00 C ATOM 0 H MET A 2 5.329 16.189 -14.190 1.00 0.00 H new ATOM 0 HA MET A 2 4.327 16.504 -12.291 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.411 14.694 -11.044 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.151 15.472 -10.107 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.407 14.352 -11.420 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.604 13.680 -12.510 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.513 12.538 -8.244 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.637 13.904 -8.435 1.00 0.00 H new ATOM 0 HE3 MET A 2 3.043 13.945 -9.226 1.00 0.00 H new ATOM 35 N ARG A 3 5.707 17.769 -10.275 1.00 0.00 N ATOM 36 CA ARG A 3 6.329 18.847 -9.584 1.00 0.00 C ATOM 37 C ARG A 3 7.028 18.300 -8.407 1.00 0.00 C ATOM 38 O ARG A 3 8.226 18.498 -8.214 1.00 0.00 O ATOM 39 CB ARG A 3 5.312 19.885 -9.124 1.00 0.00 C ATOM 40 CG ARG A 3 5.946 21.027 -8.334 1.00 0.00 C ATOM 41 CD ARG A 3 4.969 22.179 -8.104 1.00 0.00 C ATOM 42 NE ARG A 3 5.631 23.208 -7.244 1.00 0.00 N ATOM 43 CZ ARG A 3 6.490 24.125 -7.786 1.00 0.00 C ATOM 44 NH1 ARG A 3 6.746 24.123 -9.127 1.00 0.00 N ATOM 45 NH2 ARG A 3 7.089 25.050 -6.982 1.00 0.00 N ATOM 0 H ARG A 3 4.944 17.319 -9.769 1.00 0.00 H new ATOM 0 HA ARG A 3 7.024 19.341 -10.263 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.798 20.293 -9.994 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.557 19.398 -8.507 1.00 0.00 H new ATOM 0 HG2 ARG A 3 6.296 20.651 -7.372 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.821 21.396 -8.870 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.672 22.618 -9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 3 4.061 21.814 -7.624 1.00 0.00 H new ATOM 0 HE ARG A 3 5.440 23.226 -6.242 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.296 23.435 -9.731 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.387 24.809 -9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.896 25.057 -5.980 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.730 25.735 -7.382 1.00 0.00 H new ATOM 59 N LEU A 4 6.266 17.597 -7.589 1.00 0.00 N ATOM 60 CA LEU A 4 6.795 16.981 -6.427 1.00 0.00 C ATOM 61 C LEU A 4 7.668 15.876 -6.922 1.00 0.00 C ATOM 62 O LEU A 4 8.755 15.657 -6.406 1.00 0.00 O ATOM 63 CB LEU A 4 5.679 16.396 -5.535 1.00 0.00 C ATOM 64 CG LEU A 4 4.358 17.187 -5.583 1.00 0.00 C ATOM 65 CD1 LEU A 4 3.541 16.860 -6.853 1.00 0.00 C ATOM 66 CD2 LEU A 4 3.529 16.921 -4.317 1.00 0.00 C ATOM 0 H LEU A 4 5.266 17.448 -7.728 1.00 0.00 H new ATOM 0 HA LEU A 4 7.336 17.706 -5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.486 15.368 -5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.032 16.362 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 4 4.607 18.247 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.617 17.438 -6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.125 17.115 -7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.304 15.796 -6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.599 17.487 -4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.303 15.857 -4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.096 17.230 -3.439 1.00 0.00 H new ATOM 78 N SER A 5 7.211 15.214 -8.010 1.00 0.00 N ATOM 79 CA SER A 5 7.942 14.101 -8.602 1.00 0.00 C ATOM 80 C SER A 5 8.406 13.180 -7.495 1.00 0.00 C ATOM 81 O SER A 5 7.591 12.549 -6.826 1.00 0.00 O ATOM 82 CB SER A 5 9.157 14.560 -9.442 1.00 0.00 C ATOM 83 OG SER A 5 9.660 13.481 -10.223 1.00 0.00 O ATOM 0 H SER A 5 6.338 15.441 -8.486 1.00 0.00 H new ATOM 0 HA SER A 5 7.266 13.584 -9.283 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.866 15.383 -10.094 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.940 14.936 -8.784 1.00 0.00 H new ATOM 0 HG SER A 5 10.427 13.788 -10.750 1.00 0.00 H new HETATM 89 N ORN A 6 9.743 13.055 -7.301 1.00 0.00 N HETATM 90 CA ORN A 6 10.258 12.247 -6.223 1.00 0.00 C HETATM 91 CB ORN A 6 11.563 11.480 -6.570 1.00 0.00 C HETATM 92 CG ORN A 6 12.206 10.750 -5.366 1.00 0.00 C HETATM 93 CD ORN A 6 11.430 9.502 -4.918 1.00 0.00 C HETATM 94 C ORN A 6 10.537 13.221 -5.117 1.00 0.00 C HETATM 95 O ORN A 6 11.685 13.552 -4.825 1.00 0.00 O HETATM 0 HG3 ORN A 6 13.223 10.460 -5.629 1.00 0.00 H new HETATM 0 HG2 ORN A 6 12.278 11.443 -4.528 1.00 0.00 H new HETATM 0 HB3 ORN A 6 11.346 10.750 -7.350 1.00 0.00 H new HETATM 0 HB2 ORN A 6 12.286 12.183 -6.983 1.00 0.00 H new HETATM 0 HA ORN A 6 9.534 11.473 -5.970 1.00 0.00 H new HETATM 0 H ORN A 6 10.233 13.085 -8.195 1.00 0.00 H new ATOM 104 N PHE A 7 9.449 13.787 -4.547 1.00 0.00 N ATOM 105 CA PHE A 7 9.549 14.709 -3.482 1.00 0.00 C ATOM 106 C PHE A 7 10.092 14.017 -2.258 1.00 0.00 C ATOM 107 O PHE A 7 11.238 13.575 -2.220 1.00 0.00 O ATOM 108 CB PHE A 7 8.166 15.340 -3.173 1.00 0.00 C ATOM 109 CG PHE A 7 6.977 14.438 -3.195 1.00 0.00 C ATOM 110 CD1 PHE A 7 6.296 14.164 -2.041 1.00 0.00 C ATOM 111 CD2 PHE A 7 6.503 13.933 -4.372 1.00 0.00 C ATOM 112 CE1 PHE A 7 5.173 13.416 -2.060 1.00 0.00 C ATOM 113 CE2 PHE A 7 5.376 13.171 -4.393 1.00 0.00 C ATOM 114 CZ PHE A 7 4.708 12.921 -3.226 1.00 0.00 C ATOM 0 H PHE A 7 8.492 13.592 -4.841 1.00 0.00 H new ATOM 0 HA PHE A 7 10.231 15.508 -3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.220 15.802 -2.187 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.994 16.141 -3.892 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.662 14.552 -1.102 1.00 0.00 H new ATOM 0 HD2 PHE A 7 7.027 14.140 -5.293 1.00 0.00 H new ATOM 0 HE1 PHE A 7 4.645 13.213 -1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.011 12.766 -5.325 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.807 12.326 -3.238 1.00 0.00 H new ATOM 124 N PHE A 8 9.266 13.933 -1.215 1.00 0.00 N ATOM 125 CA PHE A 8 9.678 13.326 0.027 1.00 0.00 C ATOM 126 C PHE A 8 8.837 12.096 0.158 1.00 0.00 C ATOM 127 O PHE A 8 8.842 11.423 1.177 1.00 0.00 O ATOM 128 CB PHE A 8 9.437 14.289 1.218 1.00 0.00 C ATOM 129 CG PHE A 8 8.946 15.510 0.657 1.00 0.00 C ATOM 130 CD1 PHE A 8 7.620 15.676 0.531 1.00 0.00 C ATOM 131 CD2 PHE A 8 9.818 16.364 0.057 1.00 0.00 C ATOM 132 CE1 PHE A 8 7.137 16.678 -0.208 1.00 0.00 C ATOM 133 CE2 PHE A 8 9.343 17.401 -0.648 1.00 0.00 C ATOM 134 CZ PHE A 8 7.993 17.544 -0.794 1.00 0.00 C ATOM 0 H PHE A 8 8.308 14.282 -1.217 1.00 0.00 H new ATOM 0 HA PHE A 8 10.743 13.093 0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 8 8.717 13.867 1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 8 10.360 14.460 1.772 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.942 14.998 1.028 1.00 0.00 H new ATOM 0 HD2 PHE A 8 10.883 16.208 0.148 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.071 16.795 -0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 8 10.020 18.114 -1.095 1.00 0.00 H new ATOM 0 HZ PHE A 8 7.604 18.360 -1.385 1.00 0.00 H new ATOM 144 N ARG A 9 8.103 11.803 -0.951 1.00 0.00 N ATOM 145 CA ARG A 9 7.198 10.661 -1.063 1.00 0.00 C ATOM 146 C ARG A 9 7.909 9.387 -0.728 1.00 0.00 C ATOM 147 O ARG A 9 7.293 8.426 -0.269 1.00 0.00 O ATOM 148 CB ARG A 9 6.662 10.487 -2.496 1.00 0.00 C ATOM 149 CG ARG A 9 5.374 9.659 -2.558 1.00 0.00 C ATOM 150 CD ARG A 9 4.781 9.604 -3.972 1.00 0.00 C ATOM 151 NE ARG A 9 3.503 8.830 -3.923 1.00 0.00 N ATOM 152 CZ ARG A 9 3.512 7.463 -3.990 1.00 0.00 C ATOM 153 NH1 ARG A 9 4.692 6.785 -4.101 1.00 0.00 N ATOM 154 NH2 ARG A 9 2.334 6.776 -3.943 1.00 0.00 N ATOM 0 H ARG A 9 8.136 12.372 -1.797 1.00 0.00 H new ATOM 0 HA ARG A 9 6.379 10.861 -0.372 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.477 11.469 -2.930 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.426 10.007 -3.108 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.580 8.646 -2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.639 10.084 -1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.599 10.612 -4.345 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.483 9.132 -4.659 1.00 0.00 H new ATOM 0 HE ARG A 9 2.615 9.326 -3.839 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.573 7.297 -4.134 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.692 5.766 -4.150 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.452 7.281 -3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.335 5.757 -3.993 1.00 0.00 H new ATOM 168 N ASN A 10 9.230 9.343 -0.968 1.00 0.00 N ATOM 169 CA ASN A 10 9.988 8.152 -0.694 1.00 0.00 C ATOM 170 C ASN A 10 10.002 7.922 0.802 1.00 0.00 C ATOM 171 O ASN A 10 10.398 6.856 1.270 1.00 0.00 O ATOM 172 CB ASN A 10 11.425 8.245 -1.245 1.00 0.00 C ATOM 173 CG ASN A 10 11.415 8.221 -2.776 1.00 0.00 C ATOM 174 OD1 ASN A 10 11.311 7.156 -3.382 1.00 0.00 O ATOM 175 ND2 ASN A 10 11.494 9.428 -3.419 1.00 0.00 N ATOM 0 H ASN A 10 9.773 10.119 -1.347 1.00 0.00 H new ATOM 0 HA ASN A 10 9.514 7.309 -1.198 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.897 9.162 -0.893 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.020 7.414 -0.866 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.580 10.289 -2.879 1.00 0.00 H new ATOM 181 N PHE A 11 9.568 8.942 1.582 1.00 0.00 N ATOM 182 CA PHE A 11 9.488 8.813 3.013 1.00 0.00 C ATOM 183 C PHE A 11 8.029 9.009 3.374 1.00 0.00 C ATOM 184 O PHE A 11 7.356 8.061 3.768 1.00 0.00 O ATOM 185 CB PHE A 11 10.354 9.849 3.767 1.00 0.00 C ATOM 186 CG PHE A 11 10.709 9.442 5.163 1.00 0.00 C ATOM 187 CD1 PHE A 11 11.472 8.315 5.387 1.00 0.00 C ATOM 188 CD2 PHE A 11 10.280 10.184 6.243 1.00 0.00 C ATOM 189 CE1 PHE A 11 11.799 7.937 6.668 1.00 0.00 C ATOM 190 CE2 PHE A 11 10.608 9.805 7.524 1.00 0.00 C ATOM 191 CZ PHE A 11 11.367 8.682 7.736 1.00 0.00 C ATOM 0 H PHE A 11 9.274 9.850 1.223 1.00 0.00 H new ATOM 0 HA PHE A 11 9.870 7.836 3.308 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.272 10.019 3.204 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.820 10.799 3.801 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.815 7.725 4.550 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.682 11.069 6.082 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.397 7.053 6.834 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.268 10.392 8.364 1.00 0.00 H new ATOM 0 HZ PHE A 11 11.624 8.385 8.742 1.00 0.00 H new ATOM 201 N ILE A 12 7.504 10.257 3.202 1.00 0.00 N ATOM 202 CA ILE A 12 6.140 10.572 3.494 1.00 0.00 C ATOM 203 C ILE A 12 5.919 11.843 2.752 1.00 0.00 C ATOM 204 O ILE A 12 6.250 11.925 1.579 1.00 0.00 O ATOM 205 CB ILE A 12 5.805 10.761 4.962 1.00 0.00 C ATOM 206 CG1 ILE A 12 6.921 11.490 5.742 1.00 0.00 C ATOM 207 CG2 ILE A 12 5.521 9.375 5.563 1.00 0.00 C ATOM 208 CD1 ILE A 12 6.547 12.934 6.077 1.00 0.00 C ATOM 0 H ILE A 12 8.045 11.049 2.855 1.00 0.00 H new ATOM 0 HA ILE A 12 5.499 9.740 3.204 1.00 0.00 H new ATOM 0 HB ILE A 12 4.927 11.402 5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 12 7.130 10.948 6.664 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.838 11.482 5.153 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.277 9.480 6.620 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.681 8.917 5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.403 8.744 5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.364 13.404 6.625 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.364 13.486 5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.646 12.944 6.690 1.00 0.00 H new ATOM 220 N LEU A 13 5.395 12.870 3.424 1.00 0.00 N ATOM 221 CA LEU A 13 5.141 14.121 2.780 1.00 0.00 C ATOM 222 C LEU A 13 4.169 14.845 3.650 1.00 0.00 C ATOM 223 O LEU A 13 4.152 16.074 3.698 1.00 0.00 O ATOM 224 CB LEU A 13 4.552 13.975 1.345 1.00 0.00 C ATOM 225 CG LEU A 13 3.257 14.766 1.102 1.00 0.00 C ATOM 226 CD1 LEU A 13 3.136 15.179 -0.372 1.00 0.00 C ATOM 227 CD2 LEU A 13 2.038 13.963 1.595 1.00 0.00 C ATOM 0 H LEU A 13 5.145 12.841 4.412 1.00 0.00 H new ATOM 0 HA LEU A 13 6.083 14.655 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.302 14.300 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.360 12.920 1.151 1.00 0.00 H new ATOM 0 HG LEU A 13 3.290 15.689 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.211 15.737 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.985 15.805 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.125 14.288 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.128 14.536 1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.983 13.017 1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.139 13.767 2.662 1.00 0.00 H new ATOM 239 N GLN A 14 3.353 14.080 4.404 1.00 0.00 N ATOM 240 CA GLN A 14 2.361 14.698 5.237 1.00 0.00 C ATOM 241 C GLN A 14 3.039 15.390 6.369 1.00 0.00 C ATOM 242 O GLN A 14 3.974 14.880 6.980 1.00 0.00 O ATOM 243 CB GLN A 14 1.320 13.720 5.794 1.00 0.00 C ATOM 244 CG GLN A 14 0.251 13.403 4.748 1.00 0.00 C ATOM 245 CD GLN A 14 -0.833 12.538 5.378 1.00 0.00 C ATOM 246 OE1 GLN A 14 -0.911 11.340 5.129 1.00 0.00 O ATOM 247 NE2 GLN A 14 -1.702 13.161 6.212 1.00 0.00 N ATOM 0 H GLN A 14 3.377 13.061 4.438 1.00 0.00 H new ATOM 0 HA GLN A 14 1.817 15.401 4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.812 12.799 6.107 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.851 14.148 6.680 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.183 14.326 4.364 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.699 12.884 3.900 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.606 14.160 6.395 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.452 12.631 6.656 1.00 0.00 H new ATOM 256 N ARG A 15 2.527 16.592 6.666 1.00 0.00 N ATOM 257 CA ARG A 15 3.068 17.422 7.703 1.00 0.00 C ATOM 258 C ARG A 15 2.723 16.815 9.028 1.00 0.00 C ATOM 259 O ARG A 15 3.391 17.055 10.032 1.00 0.00 O ATOM 260 CB ARG A 15 2.507 18.854 7.632 1.00 0.00 C ATOM 261 CG ARG A 15 2.985 19.615 6.379 1.00 0.00 C ATOM 262 CD ARG A 15 2.453 19.034 5.046 1.00 0.00 C ATOM 263 NE ARG A 15 0.966 18.871 5.130 1.00 0.00 N ATOM 264 CZ ARG A 15 0.135 19.940 4.930 1.00 0.00 C ATOM 265 NH1 ARG A 15 0.652 21.173 4.654 1.00 0.00 N ATOM 266 NH2 ARG A 15 -1.217 19.770 5.001 1.00 0.00 N ATOM 0 H ARG A 15 1.726 16.999 6.183 1.00 0.00 H new ATOM 0 HA ARG A 15 4.149 17.482 7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.418 18.814 7.635 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.809 19.403 8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.674 20.657 6.459 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.075 19.609 6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.711 19.696 4.220 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.924 18.072 4.842 1.00 0.00 H new ATOM 0 HE ARG A 15 0.569 17.955 5.338 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.662 21.301 4.596 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.028 21.966 4.506 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.605 18.849 5.203 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.839 20.564 4.853 1.00 0.00 H new ATOM 280 N LYS A 16 1.641 16.020 9.046 1.00 0.00 N ATOM 281 CA LYS A 16 1.212 15.352 10.246 1.00 0.00 C ATOM 282 C LYS A 16 2.286 14.387 10.647 1.00 0.00 C ATOM 283 O LYS A 16 2.590 14.212 11.825 1.00 0.00 O ATOM 284 CB LYS A 16 -0.097 14.577 10.034 1.00 0.00 C ATOM 285 CG LYS A 16 -0.558 13.809 11.273 1.00 0.00 C ATOM 286 CD LYS A 16 -1.965 13.241 11.095 1.00 0.00 C ATOM 287 CE LYS A 16 -2.039 12.250 9.934 1.00 0.00 C ATOM 288 NZ LYS A 16 -3.404 11.691 9.819 1.00 0.00 N ATOM 0 H LYS A 16 1.057 15.835 8.230 1.00 0.00 H new ATOM 0 HA LYS A 16 1.034 16.101 11.017 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.879 15.275 9.737 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.034 13.876 9.210 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.139 12.997 11.478 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.540 14.471 12.139 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.275 12.746 12.015 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.666 14.057 10.920 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.764 12.748 9.004 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.321 11.444 10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.438 11.019 9.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.653 11.199 10.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.082 12.462 9.650 1.00 0.00 H new ATOM 302 N LYS A 17 2.881 13.737 9.639 1.00 0.00 N ATOM 303 CA LYS A 17 3.917 12.769 9.878 1.00 0.00 C ATOM 304 C LYS A 17 5.186 13.517 10.317 1.00 0.00 C ATOM 305 O LYS A 17 5.688 14.361 9.525 1.00 0.00 O ATOM 306 CB LYS A 17 4.245 11.946 8.614 1.00 0.00 C ATOM 307 CG LYS A 17 3.678 10.529 8.677 1.00 0.00 C ATOM 308 CD LYS A 17 2.811 10.186 7.460 1.00 0.00 C ATOM 309 CE LYS A 17 1.383 10.720 7.574 1.00 0.00 C ATOM 310 NZ LYS A 17 0.490 9.697 8.162 1.00 0.00 N ATOM 311 OXT LYS A 17 5.674 13.241 11.448 1.00 0.00 O ATOM 0 H LYS A 17 2.651 13.876 8.655 1.00 0.00 H new ATOM 0 HA LYS A 17 3.568 12.080 10.647 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.844 12.456 7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.326 11.896 8.487 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.499 9.816 8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.084 10.419 9.584 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.276 10.595 6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.779 9.103 7.337 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.373 11.618 8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.017 11.007 6.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.475 10.078 8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.486 8.851 7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.831 9.443 9.111 1.00 0.00 H new TER 325 LYS A 17