HETATM 1 C ACE A 0 -0.323 -9.686 -6.657 1.00 1.00 C HETATM 2 O ACE A 0 -1.284 -10.351 -7.038 1.00 1.00 O HETATM 3 CH3 ACE A 0 1.022 -10.311 -6.516 1.00 1.00 C HETATM 4 H1 ACE A 0 1.352 -10.235 -5.480 1.00 1.00 H HETATM 5 H2 ACE A 0 1.732 -9.795 -7.163 1.00 1.00 H HETATM 6 H3 ACE A 0 0.966 -11.361 -6.804 1.00 1.00 H ATOM 7 N ASP A 1 -0.378 -8.399 -6.345 1.00 1.00 N ATOM 8 CA ASP A 1 -1.626 -7.661 -6.430 1.00 1.00 C ATOM 9 C ASP A 1 -1.369 -6.177 -6.700 1.00 1.00 C ATOM 10 O ASP A 1 -0.227 -5.769 -6.908 1.00 1.00 O ATOM 11 CB ASP A 1 -2.297 -7.808 -5.063 1.00 1.00 C ATOM 12 CG ASP A 1 -3.822 -7.928 -5.100 1.00 1.00 C ATOM 13 OD1 ASP A 1 -4.460 -6.922 -5.479 1.00 1.00 O ATOM 14 OD2 ASP A 1 -4.314 -9.022 -4.749 1.00 1.00 O ATOM 15 H ASP A 1 0.410 -7.864 -6.039 1.00 1.00 H ATOM 16 HA ASP A 1 -2.208 -8.078 -7.252 1.00 1.00 H ATOM 17 HB2 ASP A 1 -1.890 -8.691 -4.569 1.00 1.00 H ATOM 18 HB3 ASP A 1 -2.030 -6.948 -4.449 1.00 1.00 H ATOM 19 N ALA A 2 -2.450 -5.410 -6.689 1.00 1.00 N ATOM 20 CA ALA A 2 -2.361 -3.988 -6.971 1.00 1.00 C ATOM 21 C ALA A 2 -2.378 -3.209 -5.654 1.00 1.00 C ATOM 22 O ALA A 2 -2.869 -3.706 -4.641 1.00 1.00 O ATOM 23 CB ALA A 2 -3.502 -3.580 -7.904 1.00 1.00 C ATOM 24 H ALA A 2 -3.371 -5.746 -6.493 1.00 1.00 H ATOM 25 HA ALA A 2 -1.412 -3.808 -7.477 1.00 1.00 H ATOM 26 HB1 ALA A 2 -4.457 -3.766 -7.413 1.00 1.00 H ATOM 27 HB2 ALA A 2 -3.416 -2.519 -8.141 1.00 1.00 H ATOM 28 HB3 ALA A 2 -3.447 -4.163 -8.823 1.00 1.00 H ATOM 29 N GLU A 3 -1.835 -2.002 -5.710 1.00 1.00 N ATOM 30 CA GLU A 3 -1.790 -1.147 -4.536 1.00 1.00 C ATOM 31 C GLU A 3 -3.154 -0.495 -4.301 1.00 1.00 C ATOM 32 O GLU A 3 -3.296 0.361 -3.430 1.00 1.00 O ATOM 33 CB GLU A 3 -0.693 -0.088 -4.671 1.00 1.00 C ATOM 34 CG GLU A 3 0.689 -0.739 -4.749 1.00 1.00 C ATOM 35 CD GLU A 3 1.797 0.312 -4.649 1.00 1.00 C ATOM 36 OE1 GLU A 3 1.937 1.083 -5.623 1.00 1.00 O ATOM 37 OE2 GLU A 3 2.477 0.321 -3.601 1.00 1.00 O ATOM 38 H GLU A 3 -1.432 -1.608 -6.536 1.00 1.00 H ATOM 39 HA GLU A 3 -1.548 -1.808 -3.704 1.00 1.00 H ATOM 40 HB2 GLU A 3 -0.868 0.511 -5.564 1.00 1.00 H ATOM 41 HB3 GLU A 3 -0.731 0.590 -3.819 1.00 1.00 H ATOM 42 HG2 GLU A 3 0.799 -1.466 -3.945 1.00 1.00 H ATOM 43 HG3 GLU A 3 0.786 -1.285 -5.688 1.00 1.00 H ATOM 44 N PHE A 4 -4.124 -0.925 -5.095 1.00 1.00 N ATOM 45 CA PHE A 4 -5.474 -0.399 -4.981 1.00 1.00 C ATOM 46 C PHE A 4 -6.231 -1.076 -3.837 1.00 1.00 C ATOM 47 O PHE A 4 -7.381 -0.735 -3.561 1.00 1.00 O ATOM 48 CB PHE A 4 -6.186 -0.705 -6.300 1.00 1.00 C ATOM 49 CG PHE A 4 -7.286 0.296 -6.660 1.00 1.00 C ATOM 50 CD1 PHE A 4 -8.561 0.088 -6.234 1.00 1.00 C ATOM 51 CD2 PHE A 4 -6.988 1.394 -7.405 1.00 1.00 C ATOM 52 CE1 PHE A 4 -9.581 1.018 -6.568 1.00 1.00 C ATOM 53 CE2 PHE A 4 -8.008 2.324 -7.739 1.00 1.00 C ATOM 54 CZ PHE A 4 -9.284 2.116 -7.314 1.00 1.00 C ATOM 55 H PHE A 4 -4.000 -1.619 -5.805 1.00 1.00 H ATOM 56 HA PHE A 4 -5.388 0.668 -4.776 1.00 1.00 H ATOM 57 HB2 PHE A 4 -5.450 -0.724 -7.103 1.00 1.00 H ATOM 58 HB3 PHE A 4 -6.622 -1.702 -6.242 1.00 1.00 H ATOM 59 HD1 PHE A 4 -8.800 -0.792 -5.637 1.00 1.00 H ATOM 60 HD2 PHE A 4 -5.966 1.561 -7.746 1.00 1.00 H ATOM 61 HE1 PHE A 4 -10.603 0.851 -6.228 1.00 1.00 H ATOM 62 HE2 PHE A 4 -7.770 3.204 -8.336 1.00 1.00 H ATOM 63 HZ PHE A 4 -10.067 2.829 -7.570 1.00 1.00 H ATOM 64 N ARG A 5 -5.556 -2.023 -3.201 1.00 1.00 N ATOM 65 CA ARG A 5 -6.151 -2.749 -2.092 1.00 1.00 C ATOM 66 C ARG A 5 -6.384 -1.811 -0.906 1.00 1.00 C ATOM 67 O ARG A 5 -5.782 -0.741 -0.830 1.00 1.00 O ATOM 68 CB ARG A 5 -5.254 -3.907 -1.649 1.00 1.00 C ATOM 69 CG ARG A 5 -5.253 -5.029 -2.689 1.00 1.00 C ATOM 70 CD ARG A 5 -6.551 -5.836 -2.626 1.00 1.00 C ATOM 71 NE ARG A 5 -6.436 -7.048 -3.468 1.00 1.00 N ATOM 72 CZ ARG A 5 -7.245 -8.111 -3.370 1.00 1.00 C ATOM 73 NH1 ARG A 5 -8.373 -8.031 -2.650 1.00 1.00 N ATOM 74 NH2 ARG A 5 -6.928 -9.255 -3.992 1.00 1.00 N ATOM 75 H ARG A 5 -4.622 -2.294 -3.432 1.00 1.00 H ATOM 76 HA ARG A 5 -7.094 -3.130 -2.482 1.00 1.00 H ATOM 77 HB2 ARG A 5 -4.237 -3.546 -1.497 1.00 1.00 H ATOM 78 HB3 ARG A 5 -5.601 -4.294 -0.691 1.00 1.00 H ATOM 79 HG2 ARG A 5 -5.132 -4.606 -3.686 1.00 1.00 H ATOM 80 HG3 ARG A 5 -4.402 -5.688 -2.517 1.00 1.00 H ATOM 81 HD2 ARG A 5 -6.764 -6.119 -1.595 1.00 1.00 H ATOM 82 HD3 ARG A 5 -7.386 -5.225 -2.967 1.00 1.00 H ATOM 83 HE ARG A 5 -5.707 -7.075 -4.153 1.00 1.00 H ATOM 84 HH11 ARG A 5 -8.619 -7.171 -2.201 1.00 1.00 H ATOM 85 HH12 ARG A 5 -8.967 -8.830 -2.561 1.00 1.00 H ATOM 86 HH21 ARG A 5 -6.046 -9.343 -4.456 1.00 1.00 H ATOM 87 HH22 ARG A 5 -7.572 -10.019 -3.993 1.00 1.00 H ATOM 88 N HIS A 6 -7.259 -2.246 -0.012 1.00 1.00 N ATOM 89 CA HIS A 6 -7.584 -1.455 1.163 1.00 1.00 C ATOM 90 C HIS A 6 -6.336 -1.293 2.034 1.00 1.00 C ATOM 91 O HIS A 6 -5.772 -2.279 2.505 1.00 1.00 O ATOM 92 CB HIS A 6 -8.761 -2.069 1.923 1.00 1.00 C ATOM 93 CG HIS A 6 -8.595 -3.538 2.231 1.00 1.00 C ATOM 94 ND1 HIS A 6 -8.882 -4.534 1.314 1.00 1.00 N ATOM 95 CD2 HIS A 6 -8.167 -4.168 3.363 1.00 1.00 C ATOM 96 CE1 HIS A 6 -8.635 -5.707 1.879 1.00 1.00 C ATOM 97 NE2 HIS A 6 -8.193 -5.478 3.149 1.00 1.00 N ATOM 98 H HIS A 6 -7.741 -3.119 -0.080 1.00 1.00 H ATOM 99 HA HIS A 6 -7.895 -0.474 0.804 1.00 1.00 H ATOM 100 HB2 HIS A 6 -8.901 -1.526 2.857 1.00 1.00 H ATOM 101 HB3 HIS A 6 -9.670 -1.932 1.336 1.00 1.00 H ATOM 102 HD2 HIS A 6 -7.857 -3.679 4.286 1.00 1.00 H ATOM 103 HE1 HIS A 6 -8.763 -6.683 1.411 1.00 1.00 H ATOM 104 HE2 HIS A 6 -7.878 -6.178 3.790 1.00 1.00 H ATOM 105 N ASP A 7 -5.942 -0.042 2.221 1.00 1.00 N ATOM 106 CA ASP A 7 -4.770 0.261 3.023 1.00 1.00 C ATOM 107 C ASP A 7 -5.007 -0.202 4.462 1.00 1.00 C ATOM 108 O ASP A 7 -5.817 0.381 5.180 1.00 1.00 O ATOM 109 CB ASP A 7 -4.495 1.766 3.051 1.00 1.00 C ATOM 110 CG ASP A 7 -4.209 2.396 1.687 1.00 1.00 C ATOM 111 OD1 ASP A 7 -5.196 2.755 1.009 1.00 1.00 O ATOM 112 OD2 ASP A 7 -3.009 2.506 1.353 1.00 1.00 O ATOM 113 H ASP A 7 -6.409 0.755 1.837 1.00 1.00 H ATOM 114 HA ASP A 7 -3.949 -0.271 2.544 1.00 1.00 H ATOM 115 HB2 ASP A 7 -5.356 2.269 3.493 1.00 1.00 H ATOM 116 HB3 ASP A 7 -3.645 1.954 3.707 1.00 1.00 H ATOM 117 N SER A 8 -4.286 -1.248 4.840 1.00 1.00 N ATOM 118 CA SER A 8 -4.402 -1.792 6.182 1.00 1.00 C ATOM 119 C SER A 8 -3.012 -1.992 6.788 1.00 1.00 C ATOM 120 O SER A 8 -2.864 -2.678 7.798 1.00 1.00 O ATOM 121 CB SER A 8 -5.174 -3.113 6.175 1.00 1.00 C ATOM 122 OG SER A 8 -4.815 -3.936 5.069 1.00 1.00 O ATOM 123 H SER A 8 -3.632 -1.719 4.248 1.00 1.00 H ATOM 124 HA SER A 8 -4.962 -1.047 6.747 1.00 1.00 H ATOM 125 HB2 SER A 8 -4.981 -3.650 7.104 1.00 1.00 H ATOM 126 HB3 SER A 8 -6.244 -2.908 6.142 1.00 1.00 H ATOM 127 HG SER A 8 -5.128 -3.517 4.216 1.00 1.00 H ATOM 128 N GLY A 9 -2.027 -1.382 6.145 1.00 1.00 N ATOM 129 CA GLY A 9 -0.657 -1.466 6.621 1.00 1.00 C ATOM 130 C GLY A 9 0.251 -0.506 5.850 1.00 1.00 C ATOM 131 O GLY A 9 1.405 -0.828 5.569 1.00 1.00 O ATOM 132 H GLY A 9 -2.154 -0.839 5.315 1.00 1.00 H ATOM 133 HA2 GLY A 9 -0.623 -1.230 7.684 1.00 1.00 H ATOM 134 HA3 GLY A 9 -0.292 -2.487 6.509 1.00 1.00 H ATOM 135 N TYR A 10 -0.303 0.654 5.529 1.00 1.00 N ATOM 136 CA TYR A 10 0.421 1.638 4.744 1.00 1.00 C ATOM 137 C TYR A 10 -0.121 3.047 4.994 1.00 1.00 C ATOM 138 O TYR A 10 -1.331 3.241 5.097 1.00 1.00 O ATOM 139 CB TYR A 10 0.184 1.266 3.279 1.00 1.00 C ATOM 140 CG TYR A 10 1.007 2.089 2.286 1.00 1.00 C ATOM 141 CD1 TYR A 10 2.265 1.661 1.912 1.00 1.00 C ATOM 142 CD2 TYR A 10 0.493 3.259 1.766 1.00 1.00 C ATOM 143 CE1 TYR A 10 3.041 2.436 0.978 1.00 1.00 C ATOM 144 CE2 TYR A 10 1.269 4.034 0.832 1.00 1.00 C ATOM 145 CZ TYR A 10 2.504 3.584 0.484 1.00 1.00 C ATOM 146 OH TYR A 10 3.236 4.315 -0.399 1.00 1.00 O ATOM 147 H TYR A 10 -1.228 0.924 5.796 1.00 1.00 H ATOM 148 HA TYR A 10 1.469 1.601 5.042 1.00 1.00 H ATOM 149 HB2 TYR A 10 0.416 0.210 3.140 1.00 1.00 H ATOM 150 HB3 TYR A 10 -0.875 1.393 3.049 1.00 1.00 H ATOM 151 HD1 TYR A 10 2.671 0.737 2.323 1.00 1.00 H ATOM 152 HD2 TYR A 10 -0.500 3.597 2.062 1.00 1.00 H ATOM 153 HE1 TYR A 10 4.035 2.110 0.673 1.00 1.00 H ATOM 154 HE2 TYR A 10 0.874 4.960 0.413 1.00 1.00 H ATOM 155 HH TYR A 10 2.769 5.176 -0.600 1.00 1.00 H ATOM 156 N GLU A 11 0.802 3.993 5.085 1.00 1.00 N ATOM 157 CA GLU A 11 0.433 5.374 5.348 1.00 1.00 C ATOM 158 C GLU A 11 0.236 6.130 4.033 1.00 1.00 C ATOM 159 O GLU A 11 0.961 5.901 3.066 1.00 1.00 O ATOM 160 CB GLU A 11 1.481 6.064 6.225 1.00 1.00 C ATOM 161 CG GLU A 11 1.012 6.142 7.679 1.00 1.00 C ATOM 162 CD GLU A 11 -0.039 7.239 7.858 1.00 1.00 C ATOM 163 OE1 GLU A 11 -0.806 7.453 6.895 1.00 1.00 O ATOM 164 OE2 GLU A 11 -0.052 7.840 8.954 1.00 1.00 O ATOM 165 H GLU A 11 1.783 3.830 4.983 1.00 1.00 H ATOM 166 HA GLU A 11 -0.510 5.324 5.891 1.00 1.00 H ATOM 167 HB2 GLU A 11 2.422 5.517 6.171 1.00 1.00 H ATOM 168 HB3 GLU A 11 1.673 7.068 5.846 1.00 1.00 H ATOM 169 HG2 GLU A 11 0.596 5.182 7.983 1.00 1.00 H ATOM 170 HG3 GLU A 11 1.864 6.341 8.329 1.00 1.00 H ATOM 171 N VAL A 12 -0.749 7.016 4.038 1.00 1.00 N ATOM 172 CA VAL A 12 -1.124 7.727 2.828 1.00 1.00 C ATOM 173 C VAL A 12 -0.154 8.889 2.603 1.00 1.00 C ATOM 174 O VAL A 12 -0.413 9.768 1.783 1.00 1.00 O ATOM 175 CB VAL A 12 -2.584 8.176 2.915 1.00 1.00 C ATOM 176 CG1 VAL A 12 -2.727 9.403 3.817 1.00 1.00 C ATOM 177 CG2 VAL A 12 -3.158 8.448 1.523 1.00 1.00 C ATOM 178 H VAL A 12 -1.286 7.250 4.849 1.00 1.00 H ATOM 179 HA VAL A 12 -1.034 7.029 1.995 1.00 1.00 H ATOM 180 HB VAL A 12 -3.158 7.364 3.361 1.00 1.00 H ATOM 181 HG11 VAL A 12 -3.778 9.550 4.066 1.00 1.00 H ATOM 182 HG12 VAL A 12 -2.155 9.251 4.732 1.00 1.00 H ATOM 183 HG13 VAL A 12 -2.351 10.283 3.296 1.00 1.00 H ATOM 184 HG21 VAL A 12 -4.231 8.623 1.600 1.00 1.00 H ATOM 185 HG22 VAL A 12 -2.676 9.329 1.097 1.00 1.00 H ATOM 186 HG23 VAL A 12 -2.975 7.587 0.880 1.00 1.00 H ATOM 187 N HIS A 13 0.943 8.854 3.345 1.00 1.00 N ATOM 188 CA HIS A 13 1.983 9.857 3.191 1.00 1.00 C ATOM 189 C HIS A 13 2.723 9.630 1.871 1.00 1.00 C ATOM 190 O HIS A 13 2.817 10.536 1.044 1.00 1.00 O ATOM 191 CB HIS A 13 2.919 9.860 4.402 1.00 1.00 C ATOM 192 CG HIS A 13 2.210 10.019 5.725 1.00 1.00 C ATOM 193 ND1 HIS A 13 2.684 9.465 6.901 1.00 1.00 N ATOM 194 CD2 HIS A 13 1.058 10.675 6.046 1.00 1.00 C ATOM 195 CE1 HIS A 13 1.848 9.779 7.879 1.00 1.00 C ATOM 196 NE2 HIS A 13 0.840 10.529 7.347 1.00 1.00 N ATOM 197 H HIS A 13 1.126 8.159 4.041 1.00 1.00 H ATOM 198 HA HIS A 13 1.482 10.824 3.155 1.00 1.00 H ATOM 199 HB2 HIS A 13 3.484 8.928 4.414 1.00 1.00 H ATOM 200 HB3 HIS A 13 3.640 10.669 4.288 1.00 1.00 H ATOM 201 HD2 HIS A 13 0.424 11.226 5.352 1.00 1.00 H ATOM 202 HE1 HIS A 13 1.947 9.490 8.926 1.00 1.00 H ATOM 203 HE2 HIS A 13 0.096 10.953 7.864 1.00 1.00 H ATOM 204 N HIS A 14 3.229 8.415 1.714 1.00 1.00 N ATOM 205 CA HIS A 14 3.972 8.063 0.516 1.00 1.00 C ATOM 206 C HIS A 14 2.995 7.696 -0.604 1.00 1.00 C ATOM 207 O HIS A 14 2.086 6.893 -0.401 1.00 1.00 O ATOM 208 CB HIS A 14 4.981 6.952 0.810 1.00 1.00 C ATOM 209 CG HIS A 14 5.835 6.568 -0.376 1.00 1.00 C ATOM 210 ND1 HIS A 14 6.370 7.501 -1.247 1.00 1.00 N ATOM 211 CD2 HIS A 14 6.239 5.345 -0.824 1.00 1.00 C ATOM 212 CE1 HIS A 14 7.064 6.857 -2.174 1.00 1.00 C ATOM 213 NE2 HIS A 14 6.981 5.521 -1.911 1.00 1.00 N ATOM 214 H HIS A 14 3.139 7.681 2.386 1.00 1.00 H ATOM 215 HA HIS A 14 4.531 8.951 0.222 1.00 1.00 H ATOM 216 HB2 HIS A 14 5.632 7.272 1.624 1.00 1.00 H ATOM 217 HB3 HIS A 14 4.445 6.070 1.158 1.00 1.00 H ATOM 218 HD2 HIS A 14 5.995 4.386 -0.367 1.00 1.00 H ATOM 219 HE1 HIS A 14 7.605 7.314 -3.003 1.00 1.00 H ATOM 220 HE2 HIS A 14 7.454 4.799 -2.415 1.00 1.00 H ATOM 221 N GLN A 15 3.217 8.302 -1.761 1.00 1.00 N ATOM 222 CA GLN A 15 2.370 8.048 -2.914 1.00 1.00 C ATOM 223 C GLN A 15 2.452 6.574 -3.318 1.00 1.00 C ATOM 224 O GLN A 15 3.481 5.930 -3.122 1.00 1.00 O ATOM 225 CB GLN A 15 2.747 8.959 -4.083 1.00 1.00 C ATOM 226 CG GLN A 15 4.168 8.666 -4.570 1.00 1.00 C ATOM 227 CD GLN A 15 4.607 9.684 -5.625 1.00 1.00 C ATOM 228 OE1 GLN A 15 4.953 10.815 -5.326 1.00 1.00 O ATOM 229 NE2 GLN A 15 4.574 9.221 -6.871 1.00 1.00 N ATOM 230 H GLN A 15 3.958 8.955 -1.917 1.00 1.00 H ATOM 231 HA GLN A 15 1.358 8.286 -2.587 1.00 1.00 H ATOM 232 HB2 GLN A 15 2.042 8.817 -4.902 1.00 1.00 H ATOM 233 HB3 GLN A 15 2.672 10.002 -3.776 1.00 1.00 H ATOM 234 HG2 GLN A 15 4.857 8.690 -3.727 1.00 1.00 H ATOM 235 HG3 GLN A 15 4.212 7.661 -4.990 1.00 1.00 H ATOM 236 HE21 GLN A 15 4.278 8.282 -7.048 1.00 1.00 H ATOM 237 HE22 GLN A 15 4.844 9.812 -7.631 1.00 1.00 H ATOM 238 N LYS A 16 1.354 6.084 -3.873 1.00 1.00 N ATOM 239 CA LYS A 16 1.290 4.700 -4.311 1.00 1.00 C ATOM 240 C LYS A 16 0.547 4.625 -5.646 1.00 1.00 C ATOM 241 O LYS A 16 -0.148 5.566 -6.027 1.00 1.00 O ATOM 242 CB LYS A 16 0.681 3.820 -3.217 1.00 1.00 C ATOM 243 CG LYS A 16 -0.817 4.094 -3.064 1.00 1.00 C ATOM 244 CD LYS A 16 -1.442 3.160 -2.026 1.00 1.00 C ATOM 245 CE LYS A 16 -2.967 3.278 -2.030 1.00 1.00 C ATOM 246 NZ LYS A 16 -3.576 2.146 -1.297 1.00 1.00 N ATOM 247 H LYS A 16 0.520 6.614 -4.026 1.00 1.00 H ATOM 248 HA LYS A 16 2.314 4.359 -4.466 1.00 1.00 H ATOM 249 HB2 LYS A 16 0.839 2.769 -3.461 1.00 1.00 H ATOM 250 HB3 LYS A 16 1.187 4.007 -2.271 1.00 1.00 H ATOM 251 HG2 LYS A 16 -0.971 5.131 -2.765 1.00 1.00 H ATOM 252 HG3 LYS A 16 -1.315 3.962 -4.024 1.00 1.00 H ATOM 253 HD2 LYS A 16 -1.152 2.131 -2.237 1.00 1.00 H ATOM 254 HD3 LYS A 16 -1.057 3.402 -1.035 1.00 1.00 H ATOM 255 HE2 LYS A 16 -3.266 4.220 -1.571 1.00 1.00 H ATOM 256 HE3 LYS A 16 -3.334 3.293 -3.057 1.00 1.00 H ATOM 257 HZ1 LYS A 16 -4.560 2.302 -1.201 1.00 1.00 H ATOM 258 HZ2 LYS A 16 -3.421 1.298 -1.803 1.00 1.00 H ATOM 259 HZ3 LYS A 16 -3.160 2.074 -0.390 1.00 1.00 H HETATM 260 N NH2 A 17 0.718 3.497 -6.320 1.00 1.00 N HETATM 261 HN1 NH2 A 17 0.260 3.367 -7.215 1.00 1.00 H HETATM 262 HN2 NH2 A 17 1.307 2.764 -5.940 1.00 1.00 H TER 263 NH2 A 17