HETATM 1 C ACE A 1 19.201 12.692 5.244 1.00 0.00 C HETATM 2 O ACE A 1 19.817 12.117 4.368 1.00 0.00 O HETATM 3 CH3 ACE A 1 18.663 14.109 5.044 1.00 0.00 C HETATM 4 H1 ACE A 1 17.967 14.340 5.836 1.00 0.00 H HETATM 5 H2 ACE A 1 18.157 14.169 4.090 1.00 0.00 H HETATM 6 H3 ACE A 1 19.481 14.810 5.064 1.00 0.00 H ATOM 7 N CYS A 2 18.957 12.128 6.394 1.00 0.00 N ATOM 8 CA CYS A 2 19.432 10.741 6.680 1.00 0.00 C ATOM 9 C CYS A 2 18.379 10.032 7.517 1.00 0.00 C ATOM 10 O CYS A 2 18.646 9.527 8.589 1.00 0.00 O ATOM 11 CB CYS A 2 20.731 10.895 7.471 1.00 0.00 C ATOM 12 SG CYS A 2 20.400 11.761 9.034 1.00 0.00 S ATOM 13 H CYS A 2 18.450 12.613 7.076 1.00 0.00 H ATOM 14 HA CYS A 2 19.609 10.201 5.762 1.00 0.00 H ATOM 15 HB2 CYS A 2 21.136 9.916 7.680 1.00 0.00 H ATOM 16 HB3 CYS A 2 21.440 11.462 6.890 1.00 0.00 H ATOM 17 N HIS A 3 17.177 9.988 7.025 1.00 0.00 N ATOM 18 CA HIS A 3 16.086 9.317 7.783 1.00 0.00 C ATOM 19 C HIS A 3 16.198 7.812 7.569 1.00 0.00 C ATOM 20 O HIS A 3 16.983 7.352 6.767 1.00 0.00 O ATOM 21 CB HIS A 3 14.780 9.836 7.176 1.00 0.00 C ATOM 22 CG HIS A 3 14.777 9.547 5.699 1.00 0.00 C ATOM 23 ND1 HIS A 3 14.302 8.353 5.181 1.00 0.00 N ATOM 24 CD2 HIS A 3 15.217 10.275 4.623 1.00 0.00 C ATOM 25 CE1 HIS A 3 14.470 8.397 3.847 1.00 0.00 C ATOM 26 NE2 HIS A 3 15.023 9.547 3.454 1.00 0.00 N ATOM 27 H HIS A 3 16.997 10.399 6.158 1.00 0.00 H ATOM 28 HA HIS A 3 16.138 9.563 8.833 1.00 0.00 H ATOM 29 HB2 HIS A 3 13.946 9.334 7.643 1.00 0.00 H ATOM 30 HB3 HIS A 3 14.702 10.899 7.339 1.00 0.00 H ATOM 31 HD1 HIS A 3 13.930 7.606 5.694 1.00 0.00 H ATOM 32 HD2 HIS A 3 15.662 11.257 4.679 1.00 0.00 H ATOM 33 HE1 HIS A 3 14.192 7.598 3.175 1.00 0.00 H ATOM 34 N TRP A 4 15.453 7.044 8.300 1.00 0.00 N ATOM 35 CA TRP A 4 15.553 5.567 8.145 1.00 0.00 C ATOM 36 C TRP A 4 14.305 4.987 7.470 1.00 0.00 C ATOM 37 O TRP A 4 13.415 5.704 7.055 1.00 0.00 O ATOM 38 CB TRP A 4 15.718 5.066 9.581 1.00 0.00 C ATOM 39 CG TRP A 4 16.377 3.730 9.569 1.00 0.00 C ATOM 40 CD1 TRP A 4 15.938 2.645 10.240 1.00 0.00 C ATOM 41 CD2 TRP A 4 17.580 3.314 8.858 1.00 0.00 C ATOM 42 NE1 TRP A 4 16.788 1.585 9.983 1.00 0.00 N ATOM 43 CE2 TRP A 4 17.815 1.948 9.135 1.00 0.00 C ATOM 44 CE3 TRP A 4 18.479 3.983 8.008 1.00 0.00 C ATOM 45 CZ2 TRP A 4 18.900 1.268 8.584 1.00 0.00 C ATOM 46 CZ3 TRP A 4 19.574 3.301 7.452 1.00 0.00 C ATOM 47 CH2 TRP A 4 19.784 1.946 7.741 1.00 0.00 C ATOM 48 H TRP A 4 14.835 7.431 8.960 1.00 0.00 H ATOM 49 HA TRP A 4 16.428 5.309 7.567 1.00 0.00 H ATOM 50 HB2 TRP A 4 16.333 5.761 10.130 1.00 0.00 H ATOM 51 HB3 TRP A 4 14.748 4.990 10.052 1.00 0.00 H ATOM 52 HD1 TRP A 4 15.067 2.613 10.875 1.00 0.00 H ATOM 53 HE1 TRP A 4 16.688 0.682 10.346 1.00 0.00 H ATOM 54 HE3 TRP A 4 18.324 5.027 7.777 1.00 0.00 H ATOM 55 HZ2 TRP A 4 19.055 0.222 8.808 1.00 0.00 H ATOM 56 HZ3 TRP A 4 20.258 3.824 6.802 1.00 0.00 H ATOM 57 HH2 TRP A 4 20.627 1.427 7.312 1.00 0.00 H ATOM 58 N LEU A 5 14.240 3.686 7.350 1.00 0.00 N ATOM 59 CA LEU A 5 13.068 3.047 6.696 1.00 0.00 C ATOM 60 C LEU A 5 11.936 2.875 7.706 1.00 0.00 C ATOM 61 O LEU A 5 12.166 2.683 8.884 1.00 0.00 O ATOM 62 CB LEU A 5 13.567 1.683 6.213 1.00 0.00 C ATOM 63 CG LEU A 5 14.096 0.872 7.403 1.00 0.00 C ATOM 64 CD1 LEU A 5 13.321 -0.438 7.514 1.00 0.00 C ATOM 65 CD2 LEU A 5 15.581 0.574 7.193 1.00 0.00 C ATOM 66 H LEU A 5 14.975 3.131 7.685 1.00 0.00 H ATOM 67 HA LEU A 5 12.738 3.636 5.856 1.00 0.00 H ATOM 68 HB2 LEU A 5 12.753 1.147 5.744 1.00 0.00 H ATOM 69 HB3 LEU A 5 14.361 1.826 5.494 1.00 0.00 H ATOM 70 HG LEU A 5 13.967 1.443 8.312 1.00 0.00 H ATOM 71 HD11 LEU A 5 13.406 -0.985 6.586 1.00 0.00 H ATOM 72 HD12 LEU A 5 12.283 -0.223 7.712 1.00 0.00 H ATOM 73 HD13 LEU A 5 13.729 -1.030 8.321 1.00 0.00 H ATOM 74 HD21 LEU A 5 15.689 -0.281 6.541 1.00 0.00 H ATOM 75 HD22 LEU A 5 16.043 0.360 8.146 1.00 0.00 H ATOM 76 HD23 LEU A 5 16.059 1.431 6.744 1.00 0.00 H ATOM 77 N ARG A 6 10.715 2.945 7.251 1.00 0.00 N ATOM 78 CA ARG A 6 9.551 2.792 8.177 1.00 0.00 C ATOM 79 C ARG A 6 9.653 3.773 9.347 1.00 0.00 C ATOM 80 O ARG A 6 9.067 3.562 10.388 1.00 0.00 O ATOM 81 CB ARG A 6 9.619 1.349 8.680 1.00 0.00 C ATOM 82 CG ARG A 6 8.335 0.621 8.287 1.00 0.00 C ATOM 83 CD ARG A 6 8.574 -0.888 8.305 1.00 0.00 C ATOM 84 NE ARG A 6 7.939 -1.360 9.565 1.00 0.00 N ATOM 85 CZ ARG A 6 8.645 -2.005 10.452 1.00 0.00 C ATOM 86 NH1 ARG A 6 9.654 -1.417 11.034 1.00 0.00 N ATOM 87 NH2 ARG A 6 8.349 -3.240 10.750 1.00 0.00 N ATOM 88 H ARG A 6 10.558 3.101 6.298 1.00 0.00 H ATOM 89 HA ARG A 6 8.631 2.950 7.643 1.00 0.00 H ATOM 90 HB2 ARG A 6 10.467 0.851 8.237 1.00 0.00 H ATOM 91 HB3 ARG A 6 9.717 1.345 9.756 1.00 0.00 H ATOM 92 HG2 ARG A 6 7.552 0.874 8.985 1.00 0.00 H ATOM 93 HG3 ARG A 6 8.045 0.927 7.292 1.00 0.00 H ATOM 94 HD2 ARG A 6 8.104 -1.350 7.447 1.00 0.00 H ATOM 95 HD3 ARG A 6 9.631 -1.105 8.320 1.00 0.00 H ATOM 96 HE ARG A 6 6.987 -1.186 9.730 1.00 0.00 H ATOM 97 HH11 ARG A 6 9.881 -0.470 10.804 1.00 0.00 H ATOM 98 HH12 ARG A 6 10.198 -1.911 11.712 1.00 0.00 H ATOM 99 HH21 ARG A 6 7.576 -3.691 10.304 1.00 0.00 H ATOM 100 HH22 ARG A 6 8.893 -3.734 11.428 1.00 0.00 H ATOM 101 N GLY A 7 10.383 4.846 9.183 1.00 0.00 N ATOM 102 CA GLY A 7 10.505 5.839 10.292 1.00 0.00 C ATOM 103 C GLY A 7 10.958 5.130 11.568 1.00 0.00 C ATOM 104 O GLY A 7 10.509 5.444 12.654 1.00 0.00 O ATOM 105 H GLY A 7 10.843 5.003 8.332 1.00 0.00 H ATOM 106 HA2 GLY A 7 11.224 6.598 10.020 1.00 0.00 H ATOM 107 HA3 GLY A 7 9.544 6.295 10.464 1.00 0.00 H ATOM 108 N ASP A 8 11.842 4.177 11.453 1.00 0.00 N ATOM 109 CA ASP A 8 12.309 3.448 12.664 1.00 0.00 C ATOM 110 C ASP A 8 13.323 4.297 13.421 1.00 0.00 C ATOM 111 O ASP A 8 13.330 5.506 13.320 1.00 0.00 O ATOM 112 CB ASP A 8 12.946 2.156 12.124 1.00 0.00 C ATOM 113 CG ASP A 8 12.000 0.981 12.393 1.00 0.00 C ATOM 114 OD1 ASP A 8 10.909 0.992 11.849 1.00 0.00 O ATOM 115 OD2 ASP A 8 12.381 0.093 13.140 1.00 0.00 O ATOM 116 H ASP A 8 12.191 3.938 10.570 1.00 0.00 H ATOM 117 HA ASP A 8 11.485 3.206 13.308 1.00 0.00 H ATOM 118 HB2 ASP A 8 13.110 2.252 11.061 1.00 0.00 H ATOM 119 HB3 ASP A 8 13.890 1.977 12.618 1.00 0.00 H ATOM 120 N MET A 9 14.165 3.678 14.192 1.00 0.00 N ATOM 121 CA MET A 9 15.163 4.465 14.973 1.00 0.00 C ATOM 122 C MET A 9 16.194 5.072 14.023 1.00 0.00 C ATOM 123 O MET A 9 17.222 4.487 13.734 1.00 0.00 O ATOM 124 CB MET A 9 15.837 3.461 15.908 1.00 0.00 C ATOM 125 CG MET A 9 14.851 3.005 16.987 1.00 0.00 C ATOM 126 SD MET A 9 15.741 2.749 18.542 1.00 0.00 S ATOM 127 CE MET A 9 16.803 1.394 17.981 1.00 0.00 C ATOM 128 H MET A 9 14.126 2.705 14.271 1.00 0.00 H ATOM 129 HA MET A 9 14.672 5.237 15.545 1.00 0.00 H ATOM 130 HB2 MET A 9 16.174 2.607 15.339 1.00 0.00 H ATOM 131 HB3 MET A 9 16.685 3.934 16.379 1.00 0.00 H ATOM 132 HG2 MET A 9 14.091 3.762 17.125 1.00 0.00 H ATOM 133 HG3 MET A 9 14.384 2.079 16.682 1.00 0.00 H ATOM 134 HE1 MET A 9 17.006 1.509 16.925 1.00 0.00 H ATOM 135 HE2 MET A 9 16.306 0.452 18.148 1.00 0.00 H ATOM 136 HE3 MET A 9 17.731 1.412 18.536 1.00 0.00 H ATOM 137 N ARG A 10 15.914 6.246 13.537 1.00 0.00 N ATOM 138 CA ARG A 10 16.844 6.934 12.607 1.00 0.00 C ATOM 139 C ARG A 10 17.849 7.755 13.404 1.00 0.00 C ATOM 140 O ARG A 10 17.963 8.954 13.231 1.00 0.00 O ATOM 141 CB ARG A 10 15.968 7.833 11.741 1.00 0.00 C ATOM 142 CG ARG A 10 15.234 8.856 12.619 1.00 0.00 C ATOM 143 CD ARG A 10 14.810 10.053 11.763 1.00 0.00 C ATOM 144 NE ARG A 10 15.723 11.158 12.164 1.00 0.00 N ATOM 145 CZ ARG A 10 15.435 12.395 11.851 1.00 0.00 C ATOM 146 NH1 ARG A 10 15.595 12.813 10.626 1.00 0.00 N ATOM 147 NH2 ARG A 10 14.982 13.210 12.763 1.00 0.00 N ATOM 148 H ARG A 10 15.081 6.683 13.793 1.00 0.00 H ATOM 149 HA ARG A 10 17.357 6.211 11.994 1.00 0.00 H ATOM 150 HB2 ARG A 10 16.587 8.353 11.024 1.00 0.00 H ATOM 151 HB3 ARG A 10 15.243 7.228 11.216 1.00 0.00 H ATOM 152 HG2 ARG A 10 14.358 8.395 13.054 1.00 0.00 H ATOM 153 HG3 ARG A 10 15.887 9.195 13.407 1.00 0.00 H ATOM 154 HD2 ARG A 10 14.933 9.822 10.713 1.00 0.00 H ATOM 155 HD3 ARG A 10 13.787 10.322 11.973 1.00 0.00 H ATOM 156 HE ARG A 10 16.544 10.963 12.663 1.00 0.00 H ATOM 157 HH11 ARG A 10 15.942 12.189 9.926 1.00 0.00 H ATOM 158 HH12 ARG A 10 15.375 13.759 10.388 1.00 0.00 H ATOM 159 HH21 ARG A 10 14.860 12.891 13.703 1.00 0.00 H ATOM 160 HH22 ARG A 10 14.762 14.156 12.524 1.00 0.00 H ATOM 161 N ARG A 11 18.578 7.125 14.271 1.00 0.00 N ATOM 162 CA ARG A 11 19.579 7.873 15.081 1.00 0.00 C ATOM 163 C ARG A 11 20.729 8.300 14.169 1.00 0.00 C ATOM 164 O ARG A 11 21.643 7.542 13.905 1.00 0.00 O ATOM 165 CB ARG A 11 20.062 6.881 16.142 1.00 0.00 C ATOM 166 CG ARG A 11 20.532 7.628 17.396 1.00 0.00 C ATOM 167 CD ARG A 11 21.159 6.629 18.370 1.00 0.00 C ATOM 168 NE ARG A 11 20.021 6.079 19.159 1.00 0.00 N ATOM 169 CZ ARG A 11 19.882 6.402 20.417 1.00 0.00 C ATOM 170 NH1 ARG A 11 20.815 6.097 21.278 1.00 0.00 N ATOM 171 NH2 ARG A 11 18.808 7.028 20.815 1.00 0.00 N ATOM 172 H ARG A 11 18.461 6.160 14.391 1.00 0.00 H ATOM 173 HA ARG A 11 19.125 8.734 15.551 1.00 0.00 H ATOM 174 HB2 ARG A 11 19.251 6.215 16.407 1.00 0.00 H ATOM 175 HB3 ARG A 11 20.884 6.301 15.746 1.00 0.00 H ATOM 176 HG2 ARG A 11 21.264 8.375 17.119 1.00 0.00 H ATOM 177 HG3 ARG A 11 19.687 8.110 17.868 1.00 0.00 H ATOM 178 HD2 ARG A 11 21.653 5.838 17.823 1.00 0.00 H ATOM 179 HD3 ARG A 11 21.858 7.125 19.026 1.00 0.00 H ATOM 180 HE ARG A 11 19.378 5.473 18.736 1.00 0.00 H ATOM 181 HH11 ARG A 11 21.638 5.616 20.975 1.00 0.00 H ATOM 182 HH12 ARG A 11 20.708 6.346 22.241 1.00 0.00 H ATOM 183 HH21 ARG A 11 18.093 7.260 20.157 1.00 0.00 H ATOM 184 HH22 ARG A 11 18.702 7.276 21.778 1.00 0.00 H ATOM 185 N CYS A 12 20.674 9.505 13.666 1.00 0.00 N ATOM 186 CA CYS A 12 21.744 9.992 12.756 1.00 0.00 C ATOM 187 C CYS A 12 22.896 10.580 13.571 1.00 0.00 C ATOM 188 O CYS A 12 24.037 10.550 13.153 1.00 0.00 O ATOM 189 CB CYS A 12 21.072 11.074 11.908 1.00 0.00 C ATOM 190 SG CYS A 12 21.865 11.141 10.280 1.00 0.00 S ATOM 191 H CYS A 12 19.915 10.087 13.883 1.00 0.00 H ATOM 192 HA CYS A 12 22.096 9.193 12.121 1.00 0.00 H ATOM 193 HB2 CYS A 12 20.024 10.836 11.788 1.00 0.00 H ATOM 194 HB3 CYS A 12 21.171 12.031 12.398 1.00 0.00 H HETATM 195 N NH2 A 13 22.639 11.118 14.731 1.00 0.00 N HETATM 196 HN1 NH2 A 13 21.718 11.140 15.066 1.00 0.00 H HETATM 197 HN2 NH2 A 13 23.366 11.495 15.268 1.00 0.00 H TER 198 NH2 A 13