HETATM 1 C ACE A 0 -14.981 -3.232 -2.104 1.00 1.00 C HETATM 2 O ACE A 0 -15.337 -3.903 -3.071 1.00 1.00 O HETATM 3 CH3 ACE A 0 -15.730 -2.003 -1.719 1.00 1.00 C HETATM 4 H1 ACE A 0 -15.034 -1.169 -1.621 1.00 1.00 H HETATM 5 H2 ACE A 0 -16.236 -2.168 -0.768 1.00 1.00 H HETATM 6 H3 ACE A 0 -16.467 -1.771 -2.488 1.00 1.00 H ATOM 7 N ASP A 1 -13.939 -3.517 -1.336 1.00 1.00 N ATOM 8 CA ASP A 1 -13.115 -4.685 -1.595 1.00 1.00 C ATOM 9 C ASP A 1 -12.412 -5.155 -0.320 1.00 1.00 C ATOM 10 O ASP A 1 -12.453 -4.473 0.703 1.00 1.00 O ATOM 11 CB ASP A 1 -12.060 -4.239 -2.609 1.00 1.00 C ATOM 12 CG ASP A 1 -11.267 -5.375 -3.259 1.00 1.00 C ATOM 13 OD1 ASP A 1 -11.766 -6.519 -3.203 1.00 1.00 O ATOM 14 OD2 ASP A 1 -10.181 -5.072 -3.798 1.00 1.00 O ATOM 15 H ASP A 1 -13.657 -2.967 -0.550 1.00 1.00 H ATOM 16 HA ASP A 1 -13.765 -5.481 -1.958 1.00 1.00 H ATOM 17 HB2 ASP A 1 -12.552 -3.664 -3.394 1.00 1.00 H ATOM 18 HB3 ASP A 1 -11.361 -3.566 -2.112 1.00 1.00 H ATOM 19 N ALA A 2 -11.784 -6.317 -0.423 1.00 1.00 N ATOM 20 CA ALA A 2 -11.087 -6.893 0.714 1.00 1.00 C ATOM 21 C ALA A 2 -9.745 -6.182 0.898 1.00 1.00 C ATOM 22 O ALA A 2 -9.157 -5.698 -0.068 1.00 1.00 O ATOM 23 CB ALA A 2 -10.924 -8.400 0.503 1.00 1.00 C ATOM 24 H ALA A 2 -11.747 -6.860 -1.261 1.00 1.00 H ATOM 25 HA ALA A 2 -11.701 -6.727 1.599 1.00 1.00 H ATOM 26 HB1 ALA A 2 -11.907 -8.865 0.431 1.00 1.00 H ATOM 27 HB2 ALA A 2 -10.369 -8.580 -0.418 1.00 1.00 H ATOM 28 HB3 ALA A 2 -10.380 -8.828 1.345 1.00 1.00 H ATOM 29 N GLU A 3 -9.299 -6.142 2.145 1.00 1.00 N ATOM 30 CA GLU A 3 -8.037 -5.497 2.468 1.00 1.00 C ATOM 31 C GLU A 3 -6.880 -6.486 2.311 1.00 1.00 C ATOM 32 O GLU A 3 -5.972 -6.521 3.140 1.00 1.00 O ATOM 33 CB GLU A 3 -8.068 -4.909 3.880 1.00 1.00 C ATOM 34 CG GLU A 3 -9.092 -3.777 3.981 1.00 1.00 C ATOM 35 CD GLU A 3 -9.073 -3.142 5.373 1.00 1.00 C ATOM 36 OE1 GLU A 3 -8.218 -2.254 5.580 1.00 1.00 O ATOM 37 OE2 GLU A 3 -9.914 -3.559 6.198 1.00 1.00 O ATOM 38 H GLU A 3 -9.782 -6.539 2.925 1.00 1.00 H ATOM 39 HA GLU A 3 -7.933 -4.687 1.746 1.00 1.00 H ATOM 40 HB2 GLU A 3 -8.314 -5.691 4.599 1.00 1.00 H ATOM 41 HB3 GLU A 3 -7.079 -4.534 4.144 1.00 1.00 H ATOM 42 HG2 GLU A 3 -8.876 -3.018 3.228 1.00 1.00 H ATOM 43 HG3 GLU A 3 -10.089 -4.163 3.767 1.00 1.00 H ATOM 44 N PHE A 4 -6.951 -7.265 1.242 1.00 1.00 N ATOM 45 CA PHE A 4 -5.925 -8.258 0.970 1.00 1.00 C ATOM 46 C PHE A 4 -4.730 -7.630 0.251 1.00 1.00 C ATOM 47 O PHE A 4 -4.265 -8.153 -0.761 1.00 1.00 O ATOM 48 CB PHE A 4 -6.555 -9.314 0.060 1.00 1.00 C ATOM 49 CG PHE A 4 -5.750 -10.612 -0.037 1.00 1.00 C ATOM 50 CD1 PHE A 4 -5.449 -11.311 1.090 1.00 1.00 C ATOM 51 CD2 PHE A 4 -5.337 -11.066 -1.250 1.00 1.00 C ATOM 52 CE1 PHE A 4 -4.702 -12.515 0.999 1.00 1.00 C ATOM 53 CE2 PHE A 4 -4.589 -12.270 -1.341 1.00 1.00 C ATOM 54 CZ PHE A 4 -4.288 -12.969 -0.214 1.00 1.00 C ATOM 55 H PHE A 4 -7.690 -7.226 0.569 1.00 1.00 H ATOM 56 HA PHE A 4 -5.600 -8.658 1.931 1.00 1.00 H ATOM 57 HB2 PHE A 4 -7.555 -9.546 0.428 1.00 1.00 H ATOM 58 HB3 PHE A 4 -6.672 -8.895 -0.939 1.00 1.00 H ATOM 59 HD1 PHE A 4 -5.781 -10.947 2.062 1.00 1.00 H ATOM 60 HD2 PHE A 4 -5.578 -10.505 -2.153 1.00 1.00 H ATOM 61 HE1 PHE A 4 -4.460 -13.076 1.902 1.00 1.00 H ATOM 62 HE2 PHE A 4 -4.258 -12.634 -2.313 1.00 1.00 H ATOM 63 HZ PHE A 4 -3.714 -13.894 -0.284 1.00 1.00 H ATOM 64 N ARG A 5 -4.268 -6.516 0.801 1.00 1.00 N ATOM 65 CA ARG A 5 -3.160 -5.791 0.203 1.00 1.00 C ATOM 66 C ARG A 5 -2.259 -5.205 1.292 1.00 1.00 C ATOM 67 O ARG A 5 -2.646 -5.150 2.459 1.00 1.00 O ATOM 68 CB ARG A 5 -3.663 -4.659 -0.696 1.00 1.00 C ATOM 69 CG ARG A 5 -4.425 -5.214 -1.901 1.00 1.00 C ATOM 70 CD ARG A 5 -4.829 -4.091 -2.859 1.00 1.00 C ATOM 71 NE ARG A 5 -5.682 -4.631 -3.941 1.00 1.00 N ATOM 72 CZ ARG A 5 -7.005 -4.815 -3.833 1.00 1.00 C ATOM 73 NH1 ARG A 5 -7.620 -4.590 -2.665 1.00 1.00 N ATOM 74 NH2 ARG A 5 -7.713 -5.225 -4.895 1.00 1.00 N ATOM 75 H ARG A 5 -4.636 -6.111 1.637 1.00 1.00 H ATOM 76 HA ARG A 5 -2.626 -6.535 -0.389 1.00 1.00 H ATOM 77 HB2 ARG A 5 -4.313 -3.998 -0.123 1.00 1.00 H ATOM 78 HB3 ARG A 5 -2.820 -4.060 -1.039 1.00 1.00 H ATOM 79 HG2 ARG A 5 -3.804 -5.939 -2.426 1.00 1.00 H ATOM 80 HG3 ARG A 5 -5.315 -5.744 -1.561 1.00 1.00 H ATOM 81 HD2 ARG A 5 -5.366 -3.314 -2.315 1.00 1.00 H ATOM 82 HD3 ARG A 5 -3.939 -3.627 -3.284 1.00 1.00 H ATOM 83 HE ARG A 5 -5.244 -4.874 -4.806 1.00 1.00 H ATOM 84 HH11 ARG A 5 -7.092 -4.286 -1.872 1.00 1.00 H ATOM 85 HH12 ARG A 5 -8.608 -4.725 -2.585 1.00 1.00 H ATOM 86 HH21 ARG A 5 -7.257 -5.377 -5.772 1.00 1.00 H ATOM 87 HH22 ARG A 5 -8.698 -5.378 -4.810 1.00 1.00 H ATOM 88 N HIS A 6 -1.075 -4.783 0.873 1.00 1.00 N ATOM 89 CA HIS A 6 -0.122 -4.192 1.796 1.00 1.00 C ATOM 90 C HIS A 6 -0.617 -2.811 2.231 1.00 1.00 C ATOM 91 O HIS A 6 -0.082 -2.223 3.169 1.00 1.00 O ATOM 92 CB HIS A 6 1.278 -4.153 1.180 1.00 1.00 C ATOM 93 CG HIS A 6 1.836 -5.513 0.837 1.00 1.00 C ATOM 94 ND1 HIS A 6 1.885 -6.555 1.747 1.00 1.00 N ATOM 95 CD2 HIS A 6 2.368 -5.992 -0.325 1.00 1.00 C ATOM 96 CE1 HIS A 6 2.424 -7.607 1.150 1.00 1.00 C ATOM 97 NE2 HIS A 6 2.723 -7.256 -0.134 1.00 1.00 N ATOM 98 H HIS A 6 -0.766 -4.839 -0.076 1.00 1.00 H ATOM 99 HA HIS A 6 -0.084 -4.845 2.667 1.00 1.00 H ATOM 100 HB2 HIS A 6 1.249 -3.545 0.276 1.00 1.00 H ATOM 101 HB3 HIS A 6 1.956 -3.658 1.876 1.00 1.00 H ATOM 102 HD2 HIS A 6 2.481 -5.430 -1.252 1.00 1.00 H ATOM 103 HE1 HIS A 6 2.598 -8.583 1.604 1.00 1.00 H ATOM 104 HE2 HIS A 6 3.088 -7.869 -0.834 1.00 1.00 H ATOM 105 N ASP A 7 -1.633 -2.333 1.527 1.00 1.00 N ATOM 106 CA ASP A 7 -2.208 -1.033 1.831 1.00 1.00 C ATOM 107 C ASP A 7 -2.865 -1.081 3.212 1.00 1.00 C ATOM 108 O ASP A 7 -3.115 -0.042 3.820 1.00 1.00 O ATOM 109 CB ASP A 7 -3.281 -0.654 0.809 1.00 1.00 C ATOM 110 CG ASP A 7 -2.760 -0.365 -0.600 1.00 1.00 C ATOM 111 OD1 ASP A 7 -2.585 -1.347 -1.353 1.00 1.00 O ATOM 112 OD2 ASP A 7 -2.548 0.832 -0.892 1.00 1.00 O ATOM 113 H ASP A 7 -2.061 -2.817 0.764 1.00 1.00 H ATOM 114 HA ASP A 7 -1.373 -0.334 1.790 1.00 1.00 H ATOM 115 HB2 ASP A 7 -4.009 -1.463 0.752 1.00 1.00 H ATOM 116 HB3 ASP A 7 -3.812 0.227 1.171 1.00 1.00 H ATOM 117 N SER A 8 -3.126 -2.298 3.666 1.00 1.00 N ATOM 118 CA SER A 8 -3.732 -2.495 4.972 1.00 1.00 C ATOM 119 C SER A 8 -2.802 -1.966 6.066 1.00 1.00 C ATOM 120 O SER A 8 -3.247 -1.671 7.174 1.00 1.00 O ATOM 121 CB SER A 8 -4.050 -3.972 5.214 1.00 1.00 C ATOM 122 OG SER A 8 -2.881 -4.785 5.166 1.00 1.00 O ATOM 123 H SER A 8 -2.931 -3.138 3.159 1.00 1.00 H ATOM 124 HA SER A 8 -4.660 -1.923 4.948 1.00 1.00 H ATOM 125 HB2 SER A 8 -4.530 -4.085 6.186 1.00 1.00 H ATOM 126 HB3 SER A 8 -4.763 -4.317 4.465 1.00 1.00 H ATOM 127 HG SER A 8 -2.785 -5.192 4.257 1.00 1.00 H ATOM 128 N GLY A 9 -1.529 -1.862 5.716 1.00 1.00 N ATOM 129 CA GLY A 9 -0.538 -1.343 6.643 1.00 1.00 C ATOM 130 C GLY A 9 0.335 -0.280 5.974 1.00 1.00 C ATOM 131 O GLY A 9 1.562 -0.365 6.012 1.00 1.00 O ATOM 132 H GLY A 9 -1.172 -2.126 4.820 1.00 1.00 H ATOM 133 HA2 GLY A 9 -1.038 -0.914 7.512 1.00 1.00 H ATOM 134 HA3 GLY A 9 0.089 -2.158 7.006 1.00 1.00 H ATOM 135 N TYR A 10 -0.331 0.697 5.376 1.00 1.00 N ATOM 136 CA TYR A 10 0.367 1.742 4.647 1.00 1.00 C ATOM 137 C TYR A 10 -0.305 3.100 4.857 1.00 1.00 C ATOM 138 O TYR A 10 -1.515 3.232 4.678 1.00 1.00 O ATOM 139 CB TYR A 10 0.270 1.361 3.168 1.00 1.00 C ATOM 140 CG TYR A 10 1.020 2.309 2.231 1.00 1.00 C ATOM 141 CD1 TYR A 10 0.397 3.445 1.755 1.00 1.00 C ATOM 142 CD2 TYR A 10 2.320 2.029 1.861 1.00 1.00 C ATOM 143 CE1 TYR A 10 1.103 4.338 0.873 1.00 1.00 C ATOM 144 CE2 TYR A 10 3.026 2.922 0.979 1.00 1.00 C ATOM 145 CZ TYR A 10 2.383 4.032 0.528 1.00 1.00 C ATOM 146 OH TYR A 10 3.049 4.875 -0.306 1.00 1.00 O ATOM 147 H TYR A 10 -1.327 0.781 5.385 1.00 1.00 H ATOM 148 HA TYR A 10 1.390 1.789 5.022 1.00 1.00 H ATOM 149 HB2 TYR A 10 0.661 0.352 3.037 1.00 1.00 H ATOM 150 HB3 TYR A 10 -0.780 1.336 2.878 1.00 1.00 H ATOM 151 HD1 TYR A 10 -0.629 3.667 2.047 1.00 1.00 H ATOM 152 HD2 TYR A 10 2.812 1.132 2.237 1.00 1.00 H ATOM 153 HE1 TYR A 10 0.623 5.238 0.489 1.00 1.00 H ATOM 154 HE2 TYR A 10 4.053 2.712 0.679 1.00 1.00 H ATOM 155 HH TYR A 10 2.502 5.695 -0.472 1.00 1.00 H ATOM 156 N GLU A 11 0.509 4.076 5.233 1.00 1.00 N ATOM 157 CA GLU A 11 0.013 5.425 5.443 1.00 1.00 C ATOM 158 C GLU A 11 0.035 6.209 4.129 1.00 1.00 C ATOM 159 O GLU A 11 0.858 5.940 3.256 1.00 1.00 O ATOM 160 CB GLU A 11 0.822 6.145 6.524 1.00 1.00 C ATOM 161 CG GLU A 11 0.010 6.287 7.813 1.00 1.00 C ATOM 162 CD GLU A 11 -0.981 7.449 7.711 1.00 1.00 C ATOM 163 OE1 GLU A 11 -1.654 7.531 6.661 1.00 1.00 O ATOM 164 OE2 GLU A 11 -1.042 8.229 8.686 1.00 1.00 O ATOM 165 H GLU A 11 1.489 3.956 5.394 1.00 1.00 H ATOM 166 HA GLU A 11 -1.015 5.306 5.786 1.00 1.00 H ATOM 167 HB2 GLU A 11 1.738 5.590 6.727 1.00 1.00 H ATOM 168 HB3 GLU A 11 1.118 7.131 6.166 1.00 1.00 H ATOM 169 HG2 GLU A 11 -0.530 5.361 8.011 1.00 1.00 H ATOM 170 HG3 GLU A 11 0.683 6.451 8.655 1.00 1.00 H ATOM 171 N VAL A 12 -0.880 7.163 4.031 1.00 1.00 N ATOM 172 CA VAL A 12 -1.049 7.913 2.798 1.00 1.00 C ATOM 173 C VAL A 12 -0.002 9.027 2.736 1.00 1.00 C ATOM 174 O VAL A 12 -0.212 10.045 2.079 1.00 1.00 O ATOM 175 CB VAL A 12 -2.484 8.435 2.696 1.00 1.00 C ATOM 176 CG1 VAL A 12 -2.704 9.622 3.636 1.00 1.00 C ATOM 177 CG2 VAL A 12 -2.831 8.805 1.253 1.00 1.00 C ATOM 178 H VAL A 12 -1.497 7.424 4.773 1.00 1.00 H ATOM 179 HA VAL A 12 -0.880 7.226 1.969 1.00 1.00 H ATOM 180 HB VAL A 12 -3.155 7.633 3.006 1.00 1.00 H ATOM 181 HG11 VAL A 12 -3.769 9.736 3.834 1.00 1.00 H ATOM 182 HG12 VAL A 12 -2.177 9.445 4.574 1.00 1.00 H ATOM 183 HG13 VAL A 12 -2.321 10.530 3.170 1.00 1.00 H ATOM 184 HG21 VAL A 12 -3.898 9.016 1.178 1.00 1.00 H ATOM 185 HG22 VAL A 12 -2.265 9.689 0.959 1.00 1.00 H ATOM 186 HG23 VAL A 12 -2.577 7.975 0.594 1.00 1.00 H ATOM 187 N HIS A 13 1.104 8.795 3.429 1.00 1.00 N ATOM 188 CA HIS A 13 2.205 9.742 3.418 1.00 1.00 C ATOM 189 C HIS A 13 2.931 9.671 2.073 1.00 1.00 C ATOM 190 O HIS A 13 3.198 10.698 1.452 1.00 1.00 O ATOM 191 CB HIS A 13 3.138 9.505 4.608 1.00 1.00 C ATOM 192 CG HIS A 13 2.447 9.561 5.949 1.00 1.00 C ATOM 193 ND1 HIS A 13 3.097 9.282 7.139 1.00 1.00 N ATOM 194 CD2 HIS A 13 1.159 9.866 6.277 1.00 1.00 C ATOM 195 CE1 HIS A 13 2.229 9.416 8.131 1.00 1.00 C ATOM 196 NE2 HIS A 13 1.028 9.777 7.595 1.00 1.00 N ATOM 197 H HIS A 13 1.252 7.980 3.988 1.00 1.00 H ATOM 198 HA HIS A 13 1.767 10.734 3.532 1.00 1.00 H ATOM 199 HB2 HIS A 13 3.613 8.530 4.495 1.00 1.00 H ATOM 200 HB3 HIS A 13 3.932 10.251 4.588 1.00 1.00 H ATOM 201 HD2 HIS A 13 0.370 10.137 5.575 1.00 1.00 H ATOM 202 HE1 HIS A 13 2.438 9.264 9.190 1.00 1.00 H ATOM 203 HE2 HIS A 13 0.204 10.002 8.114 1.00 1.00 H ATOM 204 N HIS A 14 3.228 8.447 1.662 1.00 1.00 N ATOM 205 CA HIS A 14 3.928 8.228 0.407 1.00 1.00 C ATOM 206 C HIS A 14 2.924 7.829 -0.677 1.00 1.00 C ATOM 207 O HIS A 14 1.829 7.361 -0.372 1.00 1.00 O ATOM 208 CB HIS A 14 5.050 7.203 0.582 1.00 1.00 C ATOM 209 CG HIS A 14 5.821 6.915 -0.684 1.00 1.00 C ATOM 210 ND1 HIS A 14 6.301 7.914 -1.514 1.00 1.00 N ATOM 211 CD2 HIS A 14 6.192 5.731 -1.253 1.00 1.00 C ATOM 212 CE1 HIS A 14 6.929 7.345 -2.532 1.00 1.00 C ATOM 213 NE2 HIS A 14 6.860 5.993 -2.369 1.00 1.00 N ATOM 214 H HIS A 14 3.001 7.615 2.169 1.00 1.00 H ATOM 215 HA HIS A 14 4.386 9.179 0.134 1.00 1.00 H ATOM 216 HB2 HIS A 14 5.742 7.563 1.343 1.00 1.00 H ATOM 217 HB3 HIS A 14 4.623 6.272 0.954 1.00 1.00 H ATOM 218 HD2 HIS A 14 5.975 4.739 -0.857 1.00 1.00 H ATOM 219 HE1 HIS A 14 7.416 7.867 -3.356 1.00 1.00 H ATOM 220 HE2 HIS A 14 7.297 5.313 -2.958 1.00 1.00 H ATOM 221 N GLN A 15 3.334 8.030 -1.921 1.00 1.00 N ATOM 222 CA GLN A 15 2.476 7.718 -3.051 1.00 1.00 C ATOM 223 C GLN A 15 2.135 6.226 -3.062 1.00 1.00 C ATOM 224 O GLN A 15 0.981 5.849 -2.863 1.00 1.00 O ATOM 225 CB GLN A 15 3.130 8.140 -4.369 1.00 1.00 C ATOM 226 CG GLN A 15 3.245 9.663 -4.461 1.00 1.00 C ATOM 227 CD GLN A 15 3.992 10.081 -5.729 1.00 1.00 C ATOM 228 OE1 GLN A 15 5.032 9.544 -6.073 1.00 1.00 O ATOM 229 NE2 GLN A 15 3.406 11.066 -6.402 1.00 1.00 N ATOM 230 H GLN A 15 4.232 8.399 -2.161 1.00 1.00 H ATOM 231 HA GLN A 15 1.570 8.304 -2.898 1.00 1.00 H ATOM 232 HB2 GLN A 15 4.120 7.691 -4.448 1.00 1.00 H ATOM 233 HB3 GLN A 15 2.543 7.765 -5.207 1.00 1.00 H ATOM 234 HG2 GLN A 15 2.250 10.107 -4.457 1.00 1.00 H ATOM 235 HG3 GLN A 15 3.768 10.045 -3.584 1.00 1.00 H ATOM 236 HE21 GLN A 15 2.552 11.463 -6.065 1.00 1.00 H ATOM 237 HE22 GLN A 15 3.819 11.411 -7.245 1.00 1.00 H ATOM 238 N LYS A 16 3.159 5.419 -3.296 1.00 1.00 N ATOM 239 CA LYS A 16 2.983 3.977 -3.326 1.00 1.00 C ATOM 240 C LYS A 16 4.342 3.298 -3.142 1.00 1.00 C ATOM 241 O LYS A 16 4.520 2.497 -2.226 1.00 1.00 O ATOM 242 CB LYS A 16 2.252 3.553 -4.602 1.00 1.00 C ATOM 243 CG LYS A 16 1.803 2.093 -4.517 1.00 1.00 C ATOM 244 CD LYS A 16 0.469 1.971 -3.777 1.00 1.00 C ATOM 245 CE LYS A 16 0.048 0.507 -3.643 1.00 1.00 C ATOM 246 NZ LYS A 16 -1.365 0.411 -3.216 1.00 1.00 N ATOM 247 H LYS A 16 4.093 5.734 -3.462 1.00 1.00 H ATOM 248 HA LYS A 16 2.345 3.708 -2.485 1.00 1.00 H ATOM 249 HB2 LYS A 16 1.385 4.195 -4.760 1.00 1.00 H ATOM 250 HB3 LYS A 16 2.907 3.687 -5.463 1.00 1.00 H ATOM 251 HG2 LYS A 16 1.705 1.680 -5.521 1.00 1.00 H ATOM 252 HG3 LYS A 16 2.563 1.504 -4.004 1.00 1.00 H ATOM 253 HD2 LYS A 16 0.556 2.421 -2.788 1.00 1.00 H ATOM 254 HD3 LYS A 16 -0.300 2.527 -4.313 1.00 1.00 H ATOM 255 HE2 LYS A 16 0.182 -0.005 -4.596 1.00 1.00 H ATOM 256 HE3 LYS A 16 0.688 0.003 -2.919 1.00 1.00 H ATOM 257 HZ1 LYS A 16 -1.500 0.952 -2.386 1.00 1.00 H ATOM 258 HZ2 LYS A 16 -1.958 0.760 -3.942 1.00 1.00 H ATOM 259 HZ3 LYS A 16 -1.594 -0.545 -3.030 1.00 1.00 H HETATM 260 N NH2 A 17 5.265 3.643 -4.027 1.00 1.00 N HETATM 261 HN1 NH2 A 17 6.192 3.235 -3.978 1.00 1.00 H HETATM 262 HN2 NH2 A 17 5.045 4.316 -4.753 1.00 1.00 H TER 263 NH2 A 17