USER MOD reduce.3.24.130724 H: found=0, std=0, add=168, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 170 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 10 ASNHD21 : A 10 ASN ND2 : A 6 LYS CE :(H bumps) USER MOD Single : A 1 GLU N :NH3+ -172:sc= 0 (180deg=-0.0732) USER MOD Single : A 2 MET CE :methyl 143:sc= -0.0599 (180deg=-0.629) USER MOD Single : A 5 SER OG : rot 64:sc= 0.0871 USER MOD Single : A 14 GLN : amide:sc= -0.266 K(o=-0.27,f=-1.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= -0.0136 (180deg=-0.196) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.452 -0.760 9.094 1.00 0.00 N ATOM 2 CA GLU A 1 1.701 0.374 10.026 1.00 0.00 C ATOM 3 C GLU A 1 3.119 0.344 10.523 1.00 0.00 C ATOM 4 O GLU A 1 3.373 0.116 11.706 1.00 0.00 O ATOM 5 CB GLU A 1 0.750 0.280 11.238 1.00 0.00 C ATOM 6 CG GLU A 1 -0.712 0.581 10.866 1.00 0.00 C ATOM 7 CD GLU A 1 -1.601 0.328 12.080 1.00 0.00 C ATOM 8 OE1 GLU A 1 -1.104 -0.268 13.073 1.00 0.00 O ATOM 9 OE2 GLU A 1 -2.794 0.728 12.026 1.00 0.00 O ATOM 0 H1 GLU A 1 0.515 -0.650 8.656 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.182 -0.768 8.353 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.484 -1.656 9.621 1.00 0.00 H new ATOM 0 HA GLU A 1 1.524 1.304 9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.813 -0.719 11.668 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.077 0.980 12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -0.811 1.616 10.537 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -1.025 -0.049 10.033 1.00 0.00 H new ATOM 18 N MET A 2 4.085 0.584 9.610 1.00 0.00 N ATOM 19 CA MET A 2 5.473 0.577 9.991 1.00 0.00 C ATOM 20 C MET A 2 6.066 1.864 9.506 1.00 0.00 C ATOM 21 O MET A 2 5.773 2.317 8.401 1.00 0.00 O ATOM 22 CB MET A 2 6.270 -0.585 9.365 1.00 0.00 C ATOM 23 CG MET A 2 5.840 -1.952 9.907 1.00 0.00 C ATOM 24 SD MET A 2 6.650 -3.342 9.057 1.00 0.00 S ATOM 25 CE MET A 2 8.295 -3.036 9.762 1.00 0.00 C ATOM 0 H MET A 2 3.912 0.780 8.624 1.00 0.00 H new ATOM 0 HA MET A 2 5.529 0.457 11.073 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.139 -0.569 8.283 1.00 0.00 H new ATOM 0 HB3 MET A 2 7.332 -0.439 9.560 1.00 0.00 H new ATOM 0 HG2 MET A 2 6.068 -2.002 10.972 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.759 -2.053 9.807 1.00 0.00 H new ATOM 0 HE1 MET A 2 8.787 -3.987 9.965 1.00 0.00 H new ATOM 0 HE2 MET A 2 8.893 -2.462 9.054 1.00 0.00 H new ATOM 0 HE3 MET A 2 8.194 -2.474 10.691 1.00 0.00 H new ATOM 35 N ARG A 3 6.930 2.483 10.338 1.00 0.00 N ATOM 36 CA ARG A 3 7.553 3.733 9.954 1.00 0.00 C ATOM 37 C ARG A 3 8.997 3.463 9.652 1.00 0.00 C ATOM 38 O ARG A 3 9.779 4.380 9.441 1.00 0.00 O ATOM 39 CB ARG A 3 7.507 4.806 11.054 1.00 0.00 C ATOM 40 CG ARG A 3 7.743 6.224 10.509 1.00 0.00 C ATOM 41 CD ARG A 3 7.678 7.295 11.604 1.00 0.00 C ATOM 42 NE ARG A 3 7.836 8.632 10.962 1.00 0.00 N ATOM 43 CZ ARG A 3 7.807 9.769 11.720 1.00 0.00 C ATOM 44 NH1 ARG A 3 7.626 9.687 13.070 1.00 0.00 N ATOM 45 NH2 ARG A 3 7.958 10.986 11.123 1.00 0.00 N ATOM 0 H ARG A 3 7.198 2.134 11.258 1.00 0.00 H new ATOM 0 HA ARG A 3 6.999 4.113 9.096 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.538 4.769 11.552 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.261 4.581 11.808 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.718 6.265 10.023 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.997 6.445 9.745 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.727 7.238 12.134 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.464 7.133 12.341 1.00 0.00 H new ATOM 0 HE ARG A 3 7.966 8.698 9.953 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.512 8.776 13.515 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.605 10.536 13.634 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.092 11.046 10.114 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.937 11.836 11.686 1.00 0.00 H new ATOM 59 N LEU A 4 9.398 2.183 9.632 1.00 0.00 N ATOM 60 CA LEU A 4 10.777 1.863 9.344 1.00 0.00 C ATOM 61 C LEU A 4 11.070 2.231 7.927 1.00 0.00 C ATOM 62 O LEU A 4 12.221 2.494 7.576 1.00 0.00 O ATOM 63 CB LEU A 4 11.142 0.390 9.564 1.00 0.00 C ATOM 64 CG LEU A 4 11.053 0.005 11.043 1.00 0.00 C ATOM 65 CD1 LEU A 4 11.471 -1.456 11.263 1.00 0.00 C ATOM 66 CD2 LEU A 4 11.872 0.981 11.910 1.00 0.00 C ATOM 0 H LEU A 4 8.794 1.381 9.809 1.00 0.00 H new ATOM 0 HA LEU A 4 11.381 2.435 10.048 1.00 0.00 H new ATOM 0 HB2 LEU A 4 10.473 -0.243 8.981 1.00 0.00 H new ATOM 0 HB3 LEU A 4 12.153 0.206 9.199 1.00 0.00 H new ATOM 0 HG LEU A 4 10.012 0.086 11.357 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.397 -1.700 12.323 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.813 -2.112 10.693 1.00 0.00 H new ATOM 0 HD13 LEU A 4 12.499 -1.594 10.929 1.00 0.00 H new ATOM 0 HD21 LEU A 4 11.795 0.689 12.957 1.00 0.00 H new ATOM 0 HD22 LEU A 4 12.917 0.953 11.601 1.00 0.00 H new ATOM 0 HD23 LEU A 4 11.484 1.992 11.785 1.00 0.00 H new ATOM 78 N SER A 5 10.031 2.249 7.063 1.00 0.00 N ATOM 79 CA SER A 5 10.229 2.652 5.696 1.00 0.00 C ATOM 80 C SER A 5 10.282 4.154 5.728 1.00 0.00 C ATOM 81 O SER A 5 9.423 4.840 5.178 1.00 0.00 O ATOM 82 CB SER A 5 9.089 2.214 4.751 1.00 0.00 C ATOM 83 OG SER A 5 7.823 2.468 5.349 1.00 0.00 O ATOM 0 H SER A 5 9.074 1.991 7.302 1.00 0.00 H new ATOM 0 HA SER A 5 11.134 2.183 5.309 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.166 2.751 3.805 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.184 1.152 4.524 1.00 0.00 H new ATOM 0 HG SER A 5 7.705 3.434 5.468 1.00 0.00 H new ATOM 89 N LYS A 6 11.314 4.683 6.417 1.00 0.00 N ATOM 90 CA LYS A 6 11.477 6.101 6.557 1.00 0.00 C ATOM 91 C LYS A 6 12.925 6.387 6.454 1.00 0.00 C ATOM 92 O LYS A 6 13.379 7.118 5.580 1.00 0.00 O ATOM 93 CB LYS A 6 11.016 6.615 7.940 1.00 0.00 C ATOM 94 CG LYS A 6 11.591 7.999 8.317 1.00 0.00 C ATOM 95 CD LYS A 6 11.483 9.029 7.186 1.00 0.00 C ATOM 96 CE LYS A 6 12.482 10.190 7.330 1.00 0.00 C ATOM 0 H LYS A 6 12.036 4.128 6.877 1.00 0.00 H new ATOM 0 HA LYS A 6 10.878 6.590 5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.927 6.669 7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.308 5.892 8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.065 8.376 9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.638 7.886 8.597 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.650 8.530 6.231 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.470 9.430 7.163 1.00 0.00 H new ATOM 107 N PHE A 7 13.682 5.761 7.350 1.00 0.00 N ATOM 108 CA PHE A 7 15.090 5.965 7.426 1.00 0.00 C ATOM 109 C PHE A 7 15.720 5.712 6.087 1.00 0.00 C ATOM 110 O PHE A 7 16.596 6.464 5.663 1.00 0.00 O ATOM 111 CB PHE A 7 15.678 4.984 8.414 1.00 0.00 C ATOM 112 CG PHE A 7 15.071 5.094 9.741 1.00 0.00 C ATOM 113 CD1 PHE A 7 14.113 4.187 10.118 1.00 0.00 C ATOM 114 CD2 PHE A 7 15.432 6.102 10.597 1.00 0.00 C ATOM 115 CE1 PHE A 7 13.521 4.286 11.333 1.00 0.00 C ATOM 116 CE2 PHE A 7 14.839 6.197 11.819 1.00 0.00 C ATOM 117 CZ PHE A 7 13.884 5.286 12.179 1.00 0.00 C ATOM 0 H PHE A 7 13.318 5.101 8.037 1.00 0.00 H new ATOM 0 HA PHE A 7 15.282 6.992 7.738 1.00 0.00 H new ATOM 0 HB2 PHE A 7 15.542 3.970 8.039 1.00 0.00 H new ATOM 0 HB3 PHE A 7 16.752 5.153 8.494 1.00 0.00 H new ATOM 0 HD1 PHE A 7 13.830 3.392 9.444 1.00 0.00 H new ATOM 0 HD2 PHE A 7 16.185 6.819 10.303 1.00 0.00 H new ATOM 0 HE1 PHE A 7 12.764 3.574 11.628 1.00 0.00 H new ATOM 0 HE2 PHE A 7 15.121 6.987 12.500 1.00 0.00 H new ATOM 0 HZ PHE A 7 13.413 5.362 13.148 1.00 0.00 H new ATOM 127 N PHE A 8 15.289 4.646 5.380 1.00 0.00 N ATOM 128 CA PHE A 8 15.865 4.376 4.091 1.00 0.00 C ATOM 129 C PHE A 8 14.950 4.893 3.023 1.00 0.00 C ATOM 130 O PHE A 8 15.375 5.088 1.895 1.00 0.00 O ATOM 131 CB PHE A 8 16.156 2.893 3.817 1.00 0.00 C ATOM 132 CG PHE A 8 15.362 1.967 4.659 1.00 0.00 C ATOM 133 CD1 PHE A 8 14.149 1.487 4.227 1.00 0.00 C ATOM 134 CD2 PHE A 8 15.835 1.590 5.893 1.00 0.00 C ATOM 135 CE1 PHE A 8 13.421 0.637 5.019 1.00 0.00 C ATOM 136 CE2 PHE A 8 15.110 0.745 6.683 1.00 0.00 C ATOM 137 CZ PHE A 8 13.901 0.265 6.249 1.00 0.00 C ATOM 0 H PHE A 8 14.568 3.992 5.685 1.00 0.00 H new ATOM 0 HA PHE A 8 16.830 4.884 4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 8 15.954 2.680 2.767 1.00 0.00 H new ATOM 0 HB3 PHE A 8 17.216 2.703 3.983 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.768 1.780 3.260 1.00 0.00 H new ATOM 0 HD2 PHE A 8 16.787 1.965 6.240 1.00 0.00 H new ATOM 0 HE1 PHE A 8 12.469 0.260 4.674 1.00 0.00 H new ATOM 0 HE2 PHE A 8 15.489 0.454 7.651 1.00 0.00 H new ATOM 0 HZ PHE A 8 13.328 -0.404 6.874 1.00 0.00 H new ATOM 147 N ARG A 9 13.660 5.119 3.347 1.00 0.00 N ATOM 148 CA ARG A 9 12.737 5.636 2.367 1.00 0.00 C ATOM 149 C ARG A 9 13.164 7.027 1.998 1.00 0.00 C ATOM 150 O ARG A 9 13.077 7.430 0.838 1.00 0.00 O ATOM 151 CB ARG A 9 11.297 5.691 2.866 1.00 0.00 C ATOM 152 CG ARG A 9 10.329 6.103 1.768 1.00 0.00 C ATOM 153 CD ARG A 9 9.127 5.172 1.705 1.00 0.00 C ATOM 154 NE ARG A 9 8.236 5.617 0.593 1.00 0.00 N ATOM 155 CZ ARG A 9 7.078 4.941 0.323 1.00 0.00 C ATOM 156 NH1 ARG A 9 6.725 3.860 1.077 1.00 0.00 N ATOM 157 NH2 ARG A 9 6.276 5.352 -0.699 1.00 0.00 N ATOM 0 H ARG A 9 13.258 4.949 4.269 1.00 0.00 H new ATOM 0 HA ARG A 9 12.759 4.958 1.514 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.010 4.714 3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.227 6.396 3.694 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.991 7.124 1.944 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.844 6.099 0.807 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.453 4.145 1.541 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.587 5.187 2.652 1.00 0.00 H new ATOM 0 HE ARG A 9 8.492 6.429 0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.325 3.555 1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.861 3.357 0.874 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.540 6.162 -1.260 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.412 4.850 -0.903 1.00 0.00 H new ATOM 171 N ASN A 10 13.629 7.800 3.006 1.00 0.00 N ATOM 172 CA ASN A 10 14.074 9.152 2.774 1.00 0.00 C ATOM 173 C ASN A 10 15.224 9.096 1.805 1.00 0.00 C ATOM 174 O ASN A 10 15.366 9.969 0.950 1.00 0.00 O ATOM 175 CB ASN A 10 14.537 9.859 4.066 1.00 0.00 C ATOM 176 CG ASN A 10 13.363 10.143 5.001 1.00 0.00 C ATOM 177 OD1 ASN A 10 12.273 10.492 4.549 1.00 0.00 O ATOM 178 ND2 ASN A 10 13.587 9.975 6.340 1.00 0.00 N ATOM 0 H ASN A 10 13.697 7.493 3.976 1.00 0.00 H new ATOM 0 HA ASN A 10 13.235 9.726 2.381 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.270 9.237 4.580 1.00 0.00 H new ATOM 0 HB3 ASN A 10 15.035 10.794 3.811 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.507 9.684 6.671 1.00 0.00 H new ATOM 184 N PHE A 11 16.093 8.064 1.938 1.00 0.00 N ATOM 185 CA PHE A 11 17.200 7.920 1.025 1.00 0.00 C ATOM 186 C PHE A 11 16.628 7.511 -0.306 1.00 0.00 C ATOM 187 O PHE A 11 16.780 8.218 -1.301 1.00 0.00 O ATOM 188 CB PHE A 11 18.217 6.843 1.468 1.00 0.00 C ATOM 189 CG PHE A 11 19.209 7.350 2.461 1.00 0.00 C ATOM 190 CD1 PHE A 11 19.235 6.860 3.750 1.00 0.00 C ATOM 191 CD2 PHE A 11 20.115 8.321 2.097 1.00 0.00 C ATOM 192 CE1 PHE A 11 20.152 7.338 4.657 1.00 0.00 C ATOM 193 CE2 PHE A 11 21.029 8.798 3.002 1.00 0.00 C ATOM 194 CZ PHE A 11 21.049 8.306 4.284 1.00 0.00 C ATOM 0 H PHE A 11 16.033 7.345 2.659 1.00 0.00 H new ATOM 0 HA PHE A 11 17.735 8.869 0.986 1.00 0.00 H new ATOM 0 HB2 PHE A 11 17.679 5.999 1.899 1.00 0.00 H new ATOM 0 HB3 PHE A 11 18.747 6.469 0.592 1.00 0.00 H new ATOM 0 HD1 PHE A 11 18.532 6.097 4.049 1.00 0.00 H new ATOM 0 HD2 PHE A 11 20.106 8.711 1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 11 20.166 6.950 5.665 1.00 0.00 H new ATOM 0 HE2 PHE A 11 21.734 9.561 2.706 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.769 8.680 4.996 1.00 0.00 H new ATOM 204 N ILE A 12 15.941 6.346 -0.328 1.00 0.00 N ATOM 205 CA ILE A 12 15.320 5.846 -1.518 1.00 0.00 C ATOM 206 C ILE A 12 14.819 4.470 -1.200 1.00 0.00 C ATOM 207 O ILE A 12 15.522 3.656 -0.602 1.00 0.00 O ATOM 208 CB ILE A 12 16.229 5.757 -2.712 1.00 0.00 C ATOM 209 CG1 ILE A 12 15.477 5.151 -3.902 1.00 0.00 C ATOM 210 CG2 ILE A 12 17.486 4.940 -2.345 1.00 0.00 C ATOM 211 CD1 ILE A 12 16.218 5.364 -5.209 1.00 0.00 C ATOM 0 H ILE A 12 15.817 5.748 0.489 1.00 0.00 H new ATOM 0 HA ILE A 12 14.534 6.548 -1.796 1.00 0.00 H new ATOM 0 HB ILE A 12 16.553 6.755 -3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 12 15.335 4.083 -3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.485 5.598 -3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 12 18.144 4.876 -3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 12 18.012 5.430 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 12 17.191 3.936 -2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.650 4.919 -6.026 1.00 0.00 H new ATOM 0 HD12 ILE A 12 16.337 6.432 -5.390 1.00 0.00 H new ATOM 0 HD13 ILE A 12 17.200 4.894 -5.151 1.00 0.00 H new ATOM 223 N LEU A 13 13.566 4.184 -1.596 1.00 0.00 N ATOM 224 CA LEU A 13 13.003 2.888 -1.347 1.00 0.00 C ATOM 225 C LEU A 13 12.442 2.409 -2.649 1.00 0.00 C ATOM 226 O LEU A 13 11.589 3.062 -3.249 1.00 0.00 O ATOM 227 CB LEU A 13 11.867 2.906 -0.304 1.00 0.00 C ATOM 228 CG LEU A 13 11.303 1.508 -0.008 1.00 0.00 C ATOM 229 CD1 LEU A 13 12.386 0.585 0.574 1.00 0.00 C ATOM 230 CD2 LEU A 13 10.083 1.589 0.920 1.00 0.00 C ATOM 0 H LEU A 13 12.949 4.836 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 13 13.784 2.241 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.238 3.346 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.062 3.548 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 13 10.972 1.075 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.958 -0.397 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.203 0.486 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.766 1.011 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.705 0.585 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.373 2.054 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.304 2.185 0.445 1.00 0.00 H new ATOM 242 N GLN A 14 12.919 1.240 -3.114 1.00 0.00 N ATOM 243 CA GLN A 14 12.448 0.694 -4.356 1.00 0.00 C ATOM 244 C GLN A 14 12.424 -0.780 -4.169 1.00 0.00 C ATOM 245 O GLN A 14 13.215 -1.515 -4.757 1.00 0.00 O ATOM 246 CB GLN A 14 13.344 1.025 -5.564 1.00 0.00 C ATOM 247 CG GLN A 14 13.240 2.496 -5.972 1.00 0.00 C ATOM 248 CD GLN A 14 14.290 2.791 -7.036 1.00 0.00 C ATOM 249 OE1 GLN A 14 15.349 2.172 -7.073 1.00 0.00 O ATOM 250 NE2 GLN A 14 13.994 3.766 -7.930 1.00 0.00 N ATOM 0 H GLN A 14 13.623 0.676 -2.638 1.00 0.00 H new ATOM 0 HA GLN A 14 11.473 1.127 -4.581 1.00 0.00 H new ATOM 0 HB2 GLN A 14 14.380 0.789 -5.322 1.00 0.00 H new ATOM 0 HB3 GLN A 14 13.062 0.395 -6.407 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.243 2.710 -6.357 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.392 3.139 -5.105 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.104 4.260 -7.870 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.661 4.005 -8.663 1.00 0.00 H new ATOM 259 N ARG A 15 11.498 -1.244 -3.310 1.00 0.00 N ATOM 260 CA ARG A 15 11.393 -2.653 -3.036 1.00 0.00 C ATOM 261 C ARG A 15 10.979 -3.354 -4.295 1.00 0.00 C ATOM 262 O ARG A 15 11.451 -4.450 -4.594 1.00 0.00 O ATOM 263 CB ARG A 15 10.367 -2.997 -1.936 1.00 0.00 C ATOM 264 CG ARG A 15 10.798 -2.514 -0.548 1.00 0.00 C ATOM 265 CD ARG A 15 12.045 -3.241 -0.035 1.00 0.00 C ATOM 266 NE ARG A 15 12.304 -2.804 1.368 1.00 0.00 N ATOM 267 CZ ARG A 15 13.400 -3.264 2.044 1.00 0.00 C ATOM 268 NH1 ARG A 15 14.261 -4.132 1.438 1.00 0.00 N ATOM 269 NH2 ARG A 15 13.629 -2.854 3.324 1.00 0.00 N ATOM 0 H ARG A 15 10.829 -0.658 -2.810 1.00 0.00 H new ATOM 0 HA ARG A 15 12.370 -2.978 -2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.406 -2.549 -2.189 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.218 -4.076 -1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.995 -1.443 -0.585 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.979 -2.663 0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.897 -4.320 -0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.903 -3.013 -0.667 1.00 0.00 H new ATOM 0 HE ARG A 15 11.660 -2.159 1.825 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.087 -4.438 0.481 1.00 0.00 H new ATOM 0 HH12 ARG A 15 15.079 -4.475 1.942 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.984 -2.206 3.775 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.446 -3.196 3.831 1.00 0.00 H new ATOM 283 N LYS A 16 10.070 -2.727 -5.068 1.00 0.00 N ATOM 284 CA LYS A 16 9.625 -3.326 -6.290 1.00 0.00 C ATOM 285 C LYS A 16 10.582 -2.892 -7.360 1.00 0.00 C ATOM 286 O LYS A 16 10.450 -1.814 -7.940 1.00 0.00 O ATOM 287 CB LYS A 16 8.204 -2.881 -6.689 1.00 0.00 C ATOM 288 CG LYS A 16 7.724 -3.505 -8.002 1.00 0.00 C ATOM 289 CD LYS A 16 7.564 -5.026 -7.914 1.00 0.00 C ATOM 290 CE LYS A 16 6.993 -5.628 -9.199 1.00 0.00 C ATOM 291 NZ LYS A 16 6.862 -7.095 -9.064 1.00 0.00 N ATOM 0 H LYS A 16 9.650 -1.823 -4.852 1.00 0.00 H new ATOM 0 HA LYS A 16 9.596 -4.408 -6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.510 -3.147 -5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.182 -1.795 -6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.770 -3.060 -8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.433 -3.264 -8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.533 -5.479 -7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.909 -5.272 -7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.020 -5.187 -9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.643 -5.390 -10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.473 -7.491 -9.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.797 -7.512 -8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.223 -7.315 -8.273 1.00 0.00 H new ATOM 305 N LYS A 17 11.591 -3.741 -7.637 1.00 0.00 N ATOM 306 CA LYS A 17 12.560 -3.424 -8.652 1.00 0.00 C ATOM 307 C LYS A 17 12.006 -3.906 -9.999 1.00 0.00 C ATOM 308 O LYS A 17 11.610 -5.103 -10.085 1.00 0.00 O ATOM 309 CB LYS A 17 13.918 -4.112 -8.413 1.00 0.00 C ATOM 310 CG LYS A 17 15.024 -3.553 -9.308 1.00 0.00 C ATOM 311 CD LYS A 17 16.412 -4.091 -8.939 1.00 0.00 C ATOM 312 CE LYS A 17 16.598 -5.566 -9.309 1.00 0.00 C ATOM 313 NZ LYS A 17 16.616 -5.731 -10.779 1.00 0.00 N ATOM 314 OXT LYS A 17 11.976 -3.086 -10.956 1.00 0.00 O ATOM 0 H LYS A 17 11.738 -4.635 -7.168 1.00 0.00 H new ATOM 0 HA LYS A 17 12.728 -2.347 -8.633 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.204 -3.990 -7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.816 -5.182 -8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.806 -3.803 -10.346 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.029 -2.465 -9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 17 17.173 -3.496 -9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.571 -3.968 -7.868 1.00 0.00 H new ATOM 0 HE2 LYS A 17 17.529 -5.940 -8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.791 -6.160 -8.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.974 -6.678 -11.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.652 -5.622 -11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 17.235 -5.010 -11.202 1.00 0.00 H new TER 328 LYS A 17