HETATM 1 C ACE A 1 -4.363 9.106 -5.678 1.00 0.00 C HETATM 2 O ACE A 1 -3.361 9.476 -6.287 1.00 0.00 O HETATM 3 CH3 ACE A 1 -5.729 9.712 -5.980 1.00 0.00 C HETATM 4 H1 ACE A 1 -6.176 9.198 -6.818 1.00 0.00 H HETATM 5 H2 ACE A 1 -5.613 10.759 -6.222 1.00 0.00 H HETATM 6 H3 ACE A 1 -6.367 9.612 -5.115 1.00 0.00 H ATOM 7 N GLY A 2 -4.332 8.171 -4.732 1.00 0.00 N ATOM 8 CA GLY A 2 -3.082 7.521 -4.357 1.00 0.00 C ATOM 9 C GLY A 2 -3.339 6.282 -3.508 1.00 0.00 C ATOM 10 O GLY A 2 -4.483 5.990 -3.149 1.00 0.00 O ATOM 11 H GLY A 2 -5.163 7.916 -4.280 1.00 0.00 H ATOM 12 HA2 GLY A 2 -2.551 7.231 -5.252 1.00 0.00 H ATOM 13 HA3 GLY A 2 -2.476 8.214 -3.793 1.00 0.00 H ATOM 14 N CYS A 3 -2.269 5.550 -3.200 1.00 0.00 N ATOM 15 CA CYS A 3 -2.390 4.339 -2.411 1.00 0.00 C ATOM 16 C CYS A 3 -2.951 4.652 -1.018 1.00 0.00 C ATOM 17 O CYS A 3 -2.457 5.545 -0.329 1.00 0.00 O ATOM 18 CB CYS A 3 -1.032 3.660 -2.269 1.00 0.00 C ATOM 19 SG CYS A 3 -1.243 2.056 -1.467 1.00 0.00 S ATOM 20 H CYS A 3 -1.388 5.827 -3.522 1.00 0.00 H ATOM 21 HA CYS A 3 -3.048 3.669 -2.934 1.00 0.00 H ATOM 22 HB2 CYS A 3 -0.596 3.515 -3.246 1.00 0.00 H ATOM 23 HB3 CYS A 3 -0.376 4.278 -1.671 1.00 0.00 H ATOM 24 N PRO A 4 -3.969 3.943 -0.582 1.00 0.00 N ATOM 25 CA PRO A 4 -4.593 4.165 0.758 1.00 0.00 C ATOM 26 C PRO A 4 -3.642 3.815 1.900 1.00 0.00 C ATOM 27 O PRO A 4 -3.776 4.330 3.011 1.00 0.00 O ATOM 28 CB PRO A 4 -5.815 3.240 0.756 1.00 0.00 C ATOM 29 CG PRO A 4 -5.543 2.208 -0.283 1.00 0.00 C ATOM 30 CD PRO A 4 -4.636 2.853 -1.311 1.00 0.00 C ATOM 31 HA PRO A 4 -4.920 5.186 0.853 1.00 0.00 H ATOM 32 HB2 PRO A 4 -5.927 2.770 1.726 1.00 0.00 H ATOM 33 HB3 PRO A 4 -6.706 3.795 0.504 1.00 0.00 H ATOM 34 HG2 PRO A 4 -5.053 1.350 0.157 1.00 0.00 H ATOM 35 HG3 PRO A 4 -6.464 1.907 -0.759 1.00 0.00 H ATOM 36 HD2 PRO A 4 -3.909 2.135 -1.665 1.00 0.00 H ATOM 37 HD3 PRO A 4 -5.213 3.249 -2.129 1.00 0.00 H ATOM 38 N CYS A 5 -2.690 2.940 1.615 1.00 0.00 N ATOM 39 CA CYS A 5 -1.718 2.530 2.621 1.00 0.00 C ATOM 40 C CYS A 5 -0.582 3.541 2.730 1.00 0.00 C ATOM 41 O CYS A 5 0.029 3.915 1.729 1.00 0.00 O ATOM 42 CB CYS A 5 -1.146 1.160 2.264 1.00 0.00 C ATOM 43 SG CYS A 5 -2.066 -0.137 3.128 1.00 0.00 S ATOM 44 H CYS A 5 -2.634 2.565 0.711 1.00 0.00 H ATOM 45 HA CYS A 5 -2.216 2.460 3.576 1.00 0.00 H ATOM 46 HB2 CYS A 5 -1.227 1.004 1.197 1.00 0.00 H ATOM 47 HB3 CYS A 5 -0.106 1.120 2.556 1.00 0.00 H ATOM 48 N ILE A 6 -0.294 3.970 3.957 1.00 0.00 N ATOM 49 CA ILE A 6 0.776 4.930 4.185 1.00 0.00 C ATOM 50 C ILE A 6 2.115 4.329 3.774 1.00 0.00 C ATOM 51 O ILE A 6 2.919 4.980 3.102 1.00 0.00 O ATOM 52 CB ILE A 6 0.825 5.318 5.666 1.00 0.00 C ATOM 53 CG1 ILE A 6 -0.438 6.100 6.026 1.00 0.00 C ATOM 54 CG2 ILE A 6 2.054 6.194 5.926 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.519 6.278 7.546 1.00 0.00 C ATOM 56 H ILE A 6 -0.807 3.633 4.721 1.00 0.00 H ATOM 57 HA ILE A 6 0.588 5.818 3.598 1.00 0.00 H ATOM 58 HB ILE A 6 0.884 4.426 6.273 1.00 0.00 H ATOM 59 HG12 ILE A 6 -0.409 7.070 5.550 1.00 0.00 H ATOM 60 HG13 ILE A 6 -1.306 5.556 5.683 1.00 0.00 H ATOM 61 HG21 ILE A 6 2.021 6.573 6.938 1.00 0.00 H ATOM 62 HG22 ILE A 6 2.056 7.025 5.234 1.00 0.00 H ATOM 63 HG23 ILE A 6 2.950 5.609 5.790 1.00 0.00 H ATOM 64 HD11 ILE A 6 0.278 6.927 7.876 1.00 0.00 H ATOM 65 HD12 ILE A 6 -0.424 5.317 8.028 1.00 0.00 H ATOM 66 HD13 ILE A 6 -1.472 6.718 7.807 1.00 0.00 H ATOM 67 N TRP A 7 2.344 3.078 4.176 1.00 0.00 N ATOM 68 CA TRP A 7 3.586 2.401 3.838 1.00 0.00 C ATOM 69 C TRP A 7 3.326 1.324 2.773 1.00 0.00 C ATOM 70 O TRP A 7 2.683 0.312 3.049 1.00 0.00 O ATOM 71 CB TRP A 7 4.191 1.753 5.078 1.00 0.00 C ATOM 72 CG TRP A 7 4.439 2.811 6.100 1.00 0.00 C ATOM 73 CD1 TRP A 7 3.547 3.217 7.025 1.00 0.00 C ATOM 74 CD2 TRP A 7 5.638 3.617 6.305 1.00 0.00 C ATOM 75 NE1 TRP A 7 4.120 4.211 7.795 1.00 0.00 N ATOM 76 CE2 TRP A 7 5.410 4.493 7.393 1.00 0.00 C ATOM 77 CE3 TRP A 7 6.893 3.664 5.668 1.00 0.00 C ATOM 78 CZ2 TRP A 7 6.385 5.391 7.827 1.00 0.00 C ATOM 79 CZ3 TRP A 7 7.877 4.568 6.103 1.00 0.00 C ATOM 80 CH2 TRP A 7 7.625 5.426 7.183 1.00 0.00 C ATOM 81 H TRP A 7 1.662 2.605 4.698 1.00 0.00 H ATOM 82 HA TRP A 7 4.280 3.138 3.472 1.00 0.00 H ATOM 83 HB2 TRP A 7 3.513 1.012 5.475 1.00 0.00 H ATOM 84 HB3 TRP A 7 5.127 1.282 4.813 1.00 0.00 H ATOM 85 HD1 TRP A 7 2.550 2.823 7.146 1.00 0.00 H ATOM 86 HE1 TRP A 7 3.681 4.672 8.540 1.00 0.00 H ATOM 87 HE3 TRP A 7 7.096 3.008 4.837 1.00 0.00 H ATOM 88 HZ2 TRP A 7 6.186 6.049 8.660 1.00 0.00 H ATOM 89 HZ3 TRP A 7 8.835 4.598 5.606 1.00 0.00 H ATOM 90 HH2 TRP A 7 8.386 6.117 7.515 1.00 0.00 H ATOM 91 N PRO A 8 3.795 1.517 1.563 1.00 0.00 N ATOM 92 CA PRO A 8 3.582 0.541 0.453 1.00 0.00 C ATOM 93 C PRO A 8 4.327 -0.768 0.673 1.00 0.00 C ATOM 94 O PRO A 8 3.948 -1.804 0.128 1.00 0.00 O ATOM 95 CB PRO A 8 4.093 1.290 -0.788 1.00 0.00 C ATOM 96 CG PRO A 8 5.060 2.296 -0.269 1.00 0.00 C ATOM 97 CD PRO A 8 4.577 2.678 1.116 1.00 0.00 C ATOM 98 HA PRO A 8 2.534 0.336 0.342 1.00 0.00 H ATOM 99 HB2 PRO A 8 4.587 0.608 -1.463 1.00 0.00 H ATOM 100 HB3 PRO A 8 3.275 1.789 -1.293 1.00 0.00 H ATOM 101 HG2 PRO A 8 6.050 1.869 -0.210 1.00 0.00 H ATOM 102 HG3 PRO A 8 5.068 3.171 -0.901 1.00 0.00 H ATOM 103 HD2 PRO A 8 5.421 2.836 1.768 1.00 0.00 H ATOM 104 HD3 PRO A 8 3.954 3.555 1.073 1.00 0.00 H ATOM 105 N GLU A 9 5.377 -0.713 1.478 1.00 0.00 N ATOM 106 CA GLU A 9 6.162 -1.899 1.774 1.00 0.00 C ATOM 107 C GLU A 9 5.390 -2.845 2.697 1.00 0.00 C ATOM 108 O GLU A 9 5.711 -4.030 2.783 1.00 0.00 O ATOM 109 CB GLU A 9 7.482 -1.493 2.429 1.00 0.00 C ATOM 110 CG GLU A 9 7.213 -0.977 3.841 1.00 0.00 C ATOM 111 CD GLU A 9 8.478 -0.350 4.417 1.00 0.00 C ATOM 112 OE1 GLU A 9 9.480 -0.335 3.720 1.00 0.00 O ATOM 113 OE2 GLU A 9 8.426 0.105 5.548 1.00 0.00 O ATOM 114 H GLU A 9 5.624 0.139 1.890 1.00 0.00 H ATOM 115 HA GLU A 9 6.378 -2.413 0.848 1.00 0.00 H ATOM 116 HB2 GLU A 9 8.134 -2.351 2.477 1.00 0.00 H ATOM 117 HB3 GLU A 9 7.951 -0.716 1.844 1.00 0.00 H ATOM 118 HG2 GLU A 9 6.426 -0.240 3.813 1.00 0.00 H ATOM 119 HG3 GLU A 9 6.912 -1.803 4.465 1.00 0.00 H ATOM 120 N LEU A 10 4.381 -2.313 3.386 1.00 0.00 N ATOM 121 CA LEU A 10 3.578 -3.121 4.293 1.00 0.00 C ATOM 122 C LEU A 10 2.235 -3.483 3.658 1.00 0.00 C ATOM 123 O LEU A 10 1.444 -4.215 4.249 1.00 0.00 O ATOM 124 CB LEU A 10 3.336 -2.353 5.595 1.00 0.00 C ATOM 125 CG LEU A 10 4.675 -1.929 6.203 1.00 0.00 C ATOM 126 CD1 LEU A 10 4.433 -1.138 7.486 1.00 0.00 C ATOM 127 CD2 LEU A 10 5.516 -3.169 6.520 1.00 0.00 C ATOM 128 H LEU A 10 4.172 -1.362 3.280 1.00 0.00 H ATOM 129 HA LEU A 10 4.115 -4.034 4.517 1.00 0.00 H ATOM 130 HB2 LEU A 10 2.742 -1.476 5.390 1.00 0.00 H ATOM 131 HB3 LEU A 10 2.812 -2.988 6.296 1.00 0.00 H ATOM 132 HG LEU A 10 5.202 -1.305 5.498 1.00 0.00 H ATOM 133 HD11 LEU A 10 3.868 -0.246 7.257 1.00 0.00 H ATOM 134 HD12 LEU A 10 5.382 -0.860 7.922 1.00 0.00 H ATOM 135 HD13 LEU A 10 3.879 -1.745 8.187 1.00 0.00 H ATOM 136 HD21 LEU A 10 4.913 -3.884 7.057 1.00 0.00 H ATOM 137 HD22 LEU A 10 6.364 -2.886 7.126 1.00 0.00 H ATOM 138 HD23 LEU A 10 5.865 -3.612 5.598 1.00 0.00 H ATOM 139 N CYS A 11 1.984 -2.967 2.453 1.00 0.00 N ATOM 140 CA CYS A 11 0.738 -3.245 1.755 1.00 0.00 C ATOM 141 C CYS A 11 1.012 -3.712 0.328 1.00 0.00 C ATOM 142 O CYS A 11 0.698 -3.017 -0.637 1.00 0.00 O ATOM 143 CB CYS A 11 -0.129 -1.986 1.727 1.00 0.00 C ATOM 144 SG CYS A 11 -0.691 -1.590 3.402 1.00 0.00 S ATOM 145 H CYS A 11 2.647 -2.388 2.026 1.00 0.00 H ATOM 146 HA CYS A 11 0.206 -4.021 2.284 1.00 0.00 H ATOM 147 HB2 CYS A 11 0.455 -1.159 1.343 1.00 0.00 H ATOM 148 HB3 CYS A 11 -0.981 -2.150 1.090 1.00 0.00 H ATOM 149 N PRO A 12 1.583 -4.877 0.189 1.00 0.00 N ATOM 150 CA PRO A 12 1.912 -5.471 -1.141 1.00 0.00 C ATOM 151 C PRO A 12 0.666 -5.895 -1.914 1.00 0.00 C ATOM 152 O PRO A 12 0.699 -6.064 -3.131 1.00 0.00 O ATOM 153 CB PRO A 12 2.782 -6.676 -0.797 1.00 0.00 C ATOM 154 CG PRO A 12 2.398 -7.052 0.592 1.00 0.00 C ATOM 155 CD PRO A 12 1.979 -5.759 1.290 1.00 0.00 C ATOM 156 HA PRO A 12 2.485 -4.770 -1.719 1.00 0.00 H ATOM 157 HB2 PRO A 12 2.577 -7.489 -1.480 1.00 0.00 H ATOM 158 HB3 PRO A 12 3.826 -6.405 -0.832 1.00 0.00 H ATOM 159 HG2 PRO A 12 1.574 -7.753 0.573 1.00 0.00 H ATOM 160 HG3 PRO A 12 3.243 -7.483 1.106 1.00 0.00 H ATOM 161 HD2 PRO A 12 1.141 -5.935 1.947 1.00 0.00 H ATOM 162 HD3 PRO A 12 2.809 -5.331 1.829 1.00 0.00 H ATOM 163 N TRP A 13 -0.432 -6.064 -1.193 1.00 0.00 N ATOM 164 CA TRP A 13 -1.693 -6.460 -1.815 1.00 0.00 C ATOM 165 C TRP A 13 -2.404 -5.255 -2.437 1.00 0.00 C ATOM 166 O TRP A 13 -3.506 -5.386 -2.973 1.00 0.00 O ATOM 167 CB TRP A 13 -2.613 -7.141 -0.787 1.00 0.00 C ATOM 168 CG TRP A 13 -2.599 -6.372 0.493 1.00 0.00 C ATOM 169 CD1 TRP A 13 -3.336 -5.271 0.744 1.00 0.00 C ATOM 170 CD2 TRP A 13 -1.824 -6.632 1.698 1.00 0.00 C ATOM 171 NE1 TRP A 13 -3.052 -4.825 2.023 1.00 0.00 N ATOM 172 CE2 TRP A 13 -2.130 -5.634 2.652 1.00 0.00 C ATOM 173 CE3 TRP A 13 -0.892 -7.625 2.049 1.00 0.00 C ATOM 174 CZ2 TRP A 13 -1.534 -5.622 3.912 1.00 0.00 C ATOM 175 CZ3 TRP A 13 -0.291 -7.616 3.318 1.00 0.00 C ATOM 176 CH2 TRP A 13 -0.611 -6.617 4.248 1.00 0.00 C ATOM 177 H TRP A 13 -0.395 -5.911 -0.229 1.00 0.00 H ATOM 178 HA TRP A 13 -1.483 -7.168 -2.597 1.00 0.00 H ATOM 179 HB2 TRP A 13 -3.619 -7.175 -1.176 1.00 0.00 H ATOM 180 HB3 TRP A 13 -2.262 -8.145 -0.608 1.00 0.00 H ATOM 181 HD1 TRP A 13 -4.022 -4.807 0.057 1.00 0.00 H ATOM 182 HE1 TRP A 13 -3.447 -4.035 2.443 1.00 0.00 H ATOM 183 HE3 TRP A 13 -0.637 -8.396 1.338 1.00 0.00 H ATOM 184 HZ2 TRP A 13 -1.784 -4.849 4.624 1.00 0.00 H ATOM 185 HZ3 TRP A 13 0.425 -8.383 3.580 1.00 0.00 H ATOM 186 HH2 TRP A 13 -0.145 -6.615 5.221 1.00 0.00 H ATOM 187 N ILE A 14 -1.767 -4.084 -2.377 1.00 0.00 N ATOM 188 CA ILE A 14 -2.353 -2.881 -2.948 1.00 0.00 C ATOM 189 C ILE A 14 -1.598 -2.488 -4.210 1.00 0.00 C ATOM 190 O ILE A 14 -0.421 -2.125 -4.152 1.00 0.00 O ATOM 191 CB ILE A 14 -2.281 -1.741 -1.928 1.00 0.00 C ATOM 192 CG1 ILE A 14 -2.951 -2.163 -0.619 1.00 0.00 C ATOM 193 CG2 ILE A 14 -2.990 -0.513 -2.487 1.00 0.00 C ATOM 194 CD1 ILE A 14 -4.460 -2.361 -0.829 1.00 0.00 C ATOM 195 H ILE A 14 -0.888 -4.031 -1.951 1.00 0.00 H ATOM 196 HA ILE A 14 -3.379 -3.070 -3.203 1.00 0.00 H ATOM 197 HB ILE A 14 -1.251 -1.498 -1.735 1.00 0.00 H ATOM 198 HG12 ILE A 14 -2.508 -3.087 -0.286 1.00 0.00 H ATOM 199 HG13 ILE A 14 -2.786 -1.399 0.132 1.00 0.00 H ATOM 200 HG21 ILE A 14 -3.140 0.208 -1.695 1.00 0.00 H ATOM 201 HG22 ILE A 14 -3.950 -0.805 -2.889 1.00 0.00 H ATOM 202 HG23 ILE A 14 -2.391 -0.074 -3.265 1.00 0.00 H ATOM 203 HD11 ILE A 14 -4.925 -1.410 -1.053 1.00 0.00 H ATOM 204 HD12 ILE A 14 -4.896 -2.765 0.073 1.00 0.00 H ATOM 205 HD13 ILE A 14 -4.629 -3.045 -1.644 1.00 0.00 H ATOM 206 N ARG A 15 -2.286 -2.561 -5.345 1.00 0.00 N ATOM 207 CA ARG A 15 -1.677 -2.224 -6.624 1.00 0.00 C ATOM 208 C ARG A 15 -1.182 -0.782 -6.624 1.00 0.00 C ATOM 209 O ARG A 15 -0.176 -0.460 -7.257 1.00 0.00 O ATOM 210 CB ARG A 15 -2.693 -2.420 -7.748 1.00 0.00 C ATOM 211 CG ARG A 15 -3.831 -1.413 -7.587 1.00 0.00 C ATOM 212 CD ARG A 15 -4.934 -1.721 -8.595 1.00 0.00 C ATOM 213 NE ARG A 15 -5.589 -2.976 -8.257 1.00 0.00 N ATOM 214 CZ ARG A 15 -6.545 -3.490 -9.034 1.00 0.00 C ATOM 215 NH1 ARG A 15 -6.917 -2.873 -10.129 1.00 0.00 N ATOM 216 NH2 ARG A 15 -7.120 -4.615 -8.702 1.00 0.00 N ATOM 217 H ARG A 15 -3.222 -2.861 -5.317 1.00 0.00 H ATOM 218 HA ARG A 15 -0.839 -2.881 -6.795 1.00 0.00 H ATOM 219 HB2 ARG A 15 -2.208 -2.265 -8.701 1.00 0.00 H ATOM 220 HB3 ARG A 15 -3.091 -3.422 -7.704 1.00 0.00 H ATOM 221 HG2 ARG A 15 -4.229 -1.477 -6.585 1.00 0.00 H ATOM 222 HG3 ARG A 15 -3.458 -0.417 -7.762 1.00 0.00 H ATOM 223 HD2 ARG A 15 -5.663 -0.926 -8.582 1.00 0.00 H ATOM 224 HD3 ARG A 15 -4.504 -1.797 -9.582 1.00 0.00 H ATOM 225 HE ARG A 15 -5.317 -3.453 -7.444 1.00 0.00 H ATOM 226 HH11 ARG A 15 -6.488 -2.009 -10.395 1.00 0.00 H ATOM 227 HH12 ARG A 15 -7.635 -3.268 -10.703 1.00 0.00 H ATOM 228 HH21 ARG A 15 -6.844 -5.093 -7.866 1.00 0.00 H ATOM 229 HH22 ARG A 15 -7.837 -5.002 -9.283 1.00 0.00 H ATOM 230 N SER A 16 -1.890 0.077 -5.907 1.00 0.00 N ATOM 231 CA SER A 16 -1.511 1.484 -5.823 1.00 0.00 C ATOM 232 C SER A 16 -0.152 1.636 -5.145 1.00 0.00 C ATOM 233 O SER A 16 0.653 2.484 -5.530 1.00 0.00 O ATOM 234 CB SER A 16 -2.567 2.266 -5.046 1.00 0.00 C ATOM 235 OG SER A 16 -3.787 2.266 -5.777 1.00 0.00 O ATOM 236 H SER A 16 -2.678 -0.236 -5.419 1.00 0.00 H ATOM 237 HA SER A 16 -1.448 1.886 -6.822 1.00 0.00 H ATOM 238 HB2 SER A 16 -2.730 1.806 -4.087 1.00 0.00 H ATOM 239 HB3 SER A 16 -2.225 3.282 -4.900 1.00 0.00 H ATOM 240 HG SER A 16 -3.755 2.988 -6.407 1.00 0.00 H ATOM 241 N CYS A 17 0.092 0.815 -4.127 1.00 0.00 N ATOM 242 CA CYS A 17 1.356 0.868 -3.393 1.00 0.00 C ATOM 243 C CYS A 17 2.437 0.088 -4.131 1.00 0.00 C ATOM 244 O CYS A 17 3.623 0.374 -3.984 1.00 0.00 O ATOM 245 CB CYS A 17 1.162 0.288 -1.995 1.00 0.00 C ATOM 246 SG CYS A 17 0.623 1.595 -0.863 1.00 0.00 S ATOM 247 H CYS A 17 -0.585 0.154 -3.867 1.00 0.00 H ATOM 248 HA CYS A 17 1.669 1.897 -3.301 1.00 0.00 H ATOM 249 HB2 CYS A 17 0.415 -0.485 -2.033 1.00 0.00 H ATOM 250 HB3 CYS A 17 2.093 -0.129 -1.643 1.00 0.00 H HETATM 251 N NH2 A 18 2.094 -0.889 -4.926 1.00 0.00 N HETATM 252 HN1 NH2 A 18 1.146 -1.118 -5.044 1.00 0.00 H HETATM 253 HN2 NH2 A 18 2.785 -1.397 -5.405 1.00 0.00 H TER 254 NH2 A 18