HETATM 1 C ACE A 1 -4.372 7.686 -6.616 1.00 0.00 C HETATM 2 O ACE A 1 -3.315 7.546 -7.229 1.00 0.00 O HETATM 3 CH3 ACE A 1 -5.681 7.933 -7.362 1.00 0.00 C HETATM 4 H1 ACE A 1 -5.910 8.989 -7.349 1.00 0.00 H HETATM 5 H2 ACE A 1 -6.477 7.386 -6.881 1.00 0.00 H HETATM 6 H3 ACE A 1 -5.580 7.600 -8.384 1.00 0.00 H ATOM 7 N GLY A 2 -4.454 7.634 -5.291 1.00 0.00 N ATOM 8 CA GLY A 2 -3.270 7.401 -4.469 1.00 0.00 C ATOM 9 C GLY A 2 -3.466 6.177 -3.581 1.00 0.00 C ATOM 10 O GLY A 2 -4.590 5.856 -3.197 1.00 0.00 O ATOM 11 H GLY A 2 -5.325 7.752 -4.857 1.00 0.00 H ATOM 12 HA2 GLY A 2 -2.417 7.241 -5.115 1.00 0.00 H ATOM 13 HA3 GLY A 2 -3.092 8.266 -3.847 1.00 0.00 H ATOM 14 N CYS A 3 -2.372 5.493 -3.260 1.00 0.00 N ATOM 15 CA CYS A 3 -2.453 4.303 -2.424 1.00 0.00 C ATOM 16 C CYS A 3 -2.991 4.660 -1.030 1.00 0.00 C ATOM 17 O CYS A 3 -2.489 5.589 -0.400 1.00 0.00 O ATOM 18 CB CYS A 3 -1.071 3.667 -2.286 1.00 0.00 C ATOM 19 SG CYS A 3 -1.242 2.080 -1.449 1.00 0.00 S ATOM 20 H CYS A 3 -1.500 5.788 -3.597 1.00 0.00 H ATOM 21 HA CYS A 3 -3.105 3.597 -2.904 1.00 0.00 H ATOM 22 HB2 CYS A 3 -0.639 3.515 -3.265 1.00 0.00 H ATOM 23 HB3 CYS A 3 -0.428 4.313 -1.705 1.00 0.00 H ATOM 24 N PRO A 4 -3.996 3.965 -0.531 1.00 0.00 N ATOM 25 CA PRO A 4 -4.573 4.262 0.815 1.00 0.00 C ATOM 26 C PRO A 4 -3.623 3.887 1.952 1.00 0.00 C ATOM 27 O PRO A 4 -3.755 4.382 3.071 1.00 0.00 O ATOM 28 CB PRO A 4 -5.851 3.424 0.860 1.00 0.00 C ATOM 29 CG PRO A 4 -5.607 2.288 -0.074 1.00 0.00 C ATOM 30 CD PRO A 4 -4.689 2.826 -1.169 1.00 0.00 C ATOM 31 HA PRO A 4 -4.831 5.306 0.882 1.00 0.00 H ATOM 32 HB2 PRO A 4 -6.025 3.057 1.863 1.00 0.00 H ATOM 33 HB3 PRO A 4 -6.694 4.005 0.520 1.00 0.00 H ATOM 34 HG2 PRO A 4 -5.127 1.472 0.452 1.00 0.00 H ATOM 35 HG3 PRO A 4 -6.537 1.960 -0.510 1.00 0.00 H ATOM 36 HD2 PRO A 4 -3.980 2.067 -1.470 1.00 0.00 H ATOM 37 HD3 PRO A 4 -5.267 3.168 -2.014 1.00 0.00 H ATOM 38 N CYS A 5 -2.669 3.008 1.657 1.00 0.00 N ATOM 39 CA CYS A 5 -1.702 2.572 2.661 1.00 0.00 C ATOM 40 C CYS A 5 -0.566 3.580 2.809 1.00 0.00 C ATOM 41 O CYS A 5 0.046 3.987 1.823 1.00 0.00 O ATOM 42 CB CYS A 5 -1.112 1.219 2.270 1.00 0.00 C ATOM 43 SG CYS A 5 -2.071 -0.114 3.024 1.00 0.00 S ATOM 44 H CYS A 5 -2.613 2.647 0.746 1.00 0.00 H ATOM 45 HA CYS A 5 -2.205 2.468 3.611 1.00 0.00 H ATOM 46 HB2 CYS A 5 -1.139 1.115 1.195 1.00 0.00 H ATOM 47 HB3 CYS A 5 -0.087 1.164 2.611 1.00 0.00 H ATOM 48 N ILE A 6 -0.288 3.976 4.047 1.00 0.00 N ATOM 49 CA ILE A 6 0.784 4.925 4.305 1.00 0.00 C ATOM 50 C ILE A 6 2.124 4.343 3.864 1.00 0.00 C ATOM 51 O ILE A 6 2.917 5.014 3.203 1.00 0.00 O ATOM 52 CB ILE A 6 0.830 5.260 5.795 1.00 0.00 C ATOM 53 CG1 ILE A 6 -0.438 6.024 6.176 1.00 0.00 C ATOM 54 CG2 ILE A 6 2.053 6.132 6.086 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.528 6.138 7.698 1.00 0.00 C ATOM 56 H ILE A 6 -0.804 3.616 4.798 1.00 0.00 H ATOM 57 HA ILE A 6 0.591 5.829 3.748 1.00 0.00 H ATOM 58 HB ILE A 6 0.890 4.347 6.370 1.00 0.00 H ATOM 59 HG12 ILE A 6 -0.407 7.011 5.739 1.00 0.00 H ATOM 60 HG13 ILE A 6 -1.303 5.492 5.806 1.00 0.00 H ATOM 61 HG21 ILE A 6 2.022 6.466 7.113 1.00 0.00 H ATOM 62 HG22 ILE A 6 2.046 6.989 5.430 1.00 0.00 H ATOM 63 HG23 ILE A 6 2.953 5.560 5.920 1.00 0.00 H ATOM 64 HD11 ILE A 6 -0.411 5.161 8.140 1.00 0.00 H ATOM 65 HD12 ILE A 6 -1.491 6.544 7.971 1.00 0.00 H ATOM 66 HD13 ILE A 6 0.253 6.791 8.057 1.00 0.00 H ATOM 67 N TRP A 7 2.368 3.088 4.233 1.00 0.00 N ATOM 68 CA TRP A 7 3.614 2.421 3.871 1.00 0.00 C ATOM 69 C TRP A 7 3.355 1.357 2.797 1.00 0.00 C ATOM 70 O TRP A 7 2.727 0.339 3.079 1.00 0.00 O ATOM 71 CB TRP A 7 4.231 1.768 5.109 1.00 0.00 C ATOM 72 CG TRP A 7 4.570 2.836 6.100 1.00 0.00 C ATOM 73 CD1 TRP A 7 3.731 3.319 7.047 1.00 0.00 C ATOM 74 CD2 TRP A 7 5.822 3.566 6.251 1.00 0.00 C ATOM 75 NE1 TRP A 7 4.390 4.302 7.765 1.00 0.00 N ATOM 76 CE2 TRP A 7 5.680 4.489 7.313 1.00 0.00 C ATOM 77 CE3 TRP A 7 7.053 3.517 5.575 1.00 0.00 C ATOM 78 CZ2 TRP A 7 6.725 5.336 7.690 1.00 0.00 C ATOM 79 CZ3 TRP A 7 8.106 4.365 5.951 1.00 0.00 C ATOM 80 CH2 TRP A 7 7.942 5.274 7.008 1.00 0.00 C ATOM 81 H TRP A 7 1.699 2.605 4.758 1.00 0.00 H ATOM 82 HA TRP A 7 4.299 3.159 3.503 1.00 0.00 H ATOM 83 HB2 TRP A 7 3.520 1.079 5.548 1.00 0.00 H ATOM 84 HB3 TRP A 7 5.128 1.237 4.831 1.00 0.00 H ATOM 85 HD1 TRP A 7 2.717 2.992 7.212 1.00 0.00 H ATOM 86 HE1 TRP A 7 4.005 4.813 8.507 1.00 0.00 H ATOM 87 HE3 TRP A 7 7.191 2.820 4.761 1.00 0.00 H ATOM 88 HZ2 TRP A 7 6.592 6.035 8.503 1.00 0.00 H ATOM 89 HZ3 TRP A 7 9.050 4.319 5.426 1.00 0.00 H ATOM 90 HH2 TRP A 7 8.757 5.925 7.293 1.00 0.00 H ATOM 91 N PRO A 8 3.802 1.564 1.577 1.00 0.00 N ATOM 92 CA PRO A 8 3.571 0.585 0.475 1.00 0.00 C ATOM 93 C PRO A 8 4.316 -0.730 0.683 1.00 0.00 C ATOM 94 O PRO A 8 3.928 -1.761 0.132 1.00 0.00 O ATOM 95 CB PRO A 8 4.061 1.324 -0.777 1.00 0.00 C ATOM 96 CG PRO A 8 5.059 2.306 -0.278 1.00 0.00 C ATOM 97 CD PRO A 8 4.573 2.730 1.102 1.00 0.00 C ATOM 98 HA PRO A 8 2.521 0.384 0.382 1.00 0.00 H ATOM 99 HB2 PRO A 8 4.520 0.635 -1.466 1.00 0.00 H ATOM 100 HB3 PRO A 8 3.243 1.844 -1.254 1.00 0.00 H ATOM 101 HG2 PRO A 8 6.032 1.842 -0.208 1.00 0.00 H ATOM 102 HG3 PRO A 8 5.098 3.165 -0.928 1.00 0.00 H ATOM 103 HD2 PRO A 8 5.414 2.923 1.753 1.00 0.00 H ATOM 104 HD3 PRO A 8 3.933 3.595 1.032 1.00 0.00 H ATOM 105 N GLU A 9 5.381 -0.698 1.477 1.00 0.00 N ATOM 106 CA GLU A 9 6.151 -1.905 1.738 1.00 0.00 C ATOM 107 C GLU A 9 5.365 -2.860 2.639 1.00 0.00 C ATOM 108 O GLU A 9 5.642 -4.059 2.675 1.00 0.00 O ATOM 109 CB GLU A 9 7.485 -1.544 2.397 1.00 0.00 C ATOM 110 CG GLU A 9 7.245 -1.087 3.836 1.00 0.00 C ATOM 111 CD GLU A 9 8.542 -0.552 4.434 1.00 0.00 C ATOM 112 OE1 GLU A 9 9.528 -0.515 3.718 1.00 0.00 O ATOM 113 OE2 GLU A 9 8.528 -0.189 5.598 1.00 0.00 O ATOM 114 H GLU A 9 5.652 0.146 1.895 1.00 0.00 H ATOM 115 HA GLU A 9 6.352 -2.400 0.799 1.00 0.00 H ATOM 116 HB2 GLU A 9 8.129 -2.407 2.398 1.00 0.00 H ATOM 117 HB3 GLU A 9 7.955 -0.746 1.843 1.00 0.00 H ATOM 118 HG2 GLU A 9 6.494 -0.309 3.847 1.00 0.00 H ATOM 119 HG3 GLU A 9 6.902 -1.925 4.422 1.00 0.00 H ATOM 120 N LEU A 10 4.388 -2.321 3.370 1.00 0.00 N ATOM 121 CA LEU A 10 3.574 -3.138 4.269 1.00 0.00 C ATOM 122 C LEU A 10 2.224 -3.484 3.630 1.00 0.00 C ATOM 123 O LEU A 10 1.420 -4.207 4.221 1.00 0.00 O ATOM 124 CB LEU A 10 3.338 -2.380 5.579 1.00 0.00 C ATOM 125 CG LEU A 10 4.685 -1.963 6.181 1.00 0.00 C ATOM 126 CD1 LEU A 10 4.451 -1.179 7.470 1.00 0.00 C ATOM 127 CD2 LEU A 10 5.525 -3.207 6.488 1.00 0.00 C ATOM 128 H LEU A 10 4.208 -1.360 3.306 1.00 0.00 H ATOM 129 HA LEU A 10 4.101 -4.054 4.484 1.00 0.00 H ATOM 130 HB2 LEU A 10 2.743 -1.499 5.383 1.00 0.00 H ATOM 131 HB3 LEU A 10 2.818 -3.021 6.277 1.00 0.00 H ATOM 132 HG LEU A 10 5.211 -1.339 5.476 1.00 0.00 H ATOM 133 HD11 LEU A 10 4.010 -0.222 7.233 1.00 0.00 H ATOM 134 HD12 LEU A 10 5.394 -1.026 7.974 1.00 0.00 H ATOM 135 HD13 LEU A 10 3.785 -1.733 8.115 1.00 0.00 H ATOM 136 HD21 LEU A 10 5.864 -3.650 5.563 1.00 0.00 H ATOM 137 HD22 LEU A 10 4.923 -3.922 7.032 1.00 0.00 H ATOM 138 HD23 LEU A 10 6.378 -2.926 7.087 1.00 0.00 H ATOM 139 N CYS A 11 1.982 -2.973 2.421 1.00 0.00 N ATOM 140 CA CYS A 11 0.731 -3.242 1.717 1.00 0.00 C ATOM 141 C CYS A 11 1.008 -3.730 0.299 1.00 0.00 C ATOM 142 O CYS A 11 0.701 -3.051 -0.681 1.00 0.00 O ATOM 143 CB CYS A 11 -0.125 -1.977 1.667 1.00 0.00 C ATOM 144 SG CYS A 11 -0.691 -1.558 3.332 1.00 0.00 S ATOM 145 H CYS A 11 2.654 -2.408 1.992 1.00 0.00 H ATOM 146 HA CYS A 11 0.184 -4.006 2.248 1.00 0.00 H ATOM 147 HB2 CYS A 11 0.463 -1.161 1.271 1.00 0.00 H ATOM 148 HB3 CYS A 11 -0.975 -2.144 1.029 1.00 0.00 H ATOM 149 N PRO A 12 1.573 -4.898 0.185 1.00 0.00 N ATOM 150 CA PRO A 12 1.901 -5.522 -1.130 1.00 0.00 C ATOM 151 C PRO A 12 0.642 -5.927 -1.895 1.00 0.00 C ATOM 152 O PRO A 12 0.663 -6.078 -3.116 1.00 0.00 O ATOM 153 CB PRO A 12 2.734 -6.747 -0.747 1.00 0.00 C ATOM 154 CG PRO A 12 2.302 -7.089 0.637 1.00 0.00 C ATOM 155 CD PRO A 12 1.954 -5.763 1.309 1.00 0.00 C ATOM 156 HA PRO A 12 2.501 -4.849 -1.720 1.00 0.00 H ATOM 157 HB2 PRO A 12 2.527 -7.566 -1.424 1.00 0.00 H ATOM 158 HB3 PRO A 12 3.786 -6.504 -0.758 1.00 0.00 H ATOM 159 HG2 PRO A 12 1.433 -7.735 0.604 1.00 0.00 H ATOM 160 HG3 PRO A 12 3.107 -7.567 1.172 1.00 0.00 H ATOM 161 HD2 PRO A 12 1.125 -5.887 1.991 1.00 0.00 H ATOM 162 HD3 PRO A 12 2.814 -5.355 1.816 1.00 0.00 H ATOM 163 N TRP A 13 -0.449 -6.100 -1.158 1.00 0.00 N ATOM 164 CA TRP A 13 -1.728 -6.486 -1.755 1.00 0.00 C ATOM 165 C TRP A 13 -2.422 -5.294 -2.417 1.00 0.00 C ATOM 166 O TRP A 13 -3.517 -5.436 -2.963 1.00 0.00 O ATOM 167 CB TRP A 13 -2.652 -7.111 -0.699 1.00 0.00 C ATOM 168 CG TRP A 13 -2.620 -6.302 0.560 1.00 0.00 C ATOM 169 CD1 TRP A 13 -3.334 -5.178 0.785 1.00 0.00 C ATOM 170 CD2 TRP A 13 -1.850 -6.546 1.774 1.00 0.00 C ATOM 171 NE1 TRP A 13 -3.036 -4.703 2.049 1.00 0.00 N ATOM 172 CE2 TRP A 13 -2.130 -5.516 2.701 1.00 0.00 C ATOM 173 CE3 TRP A 13 -0.940 -7.551 2.153 1.00 0.00 C ATOM 174 CZ2 TRP A 13 -1.529 -5.481 3.962 1.00 0.00 C ATOM 175 CZ3 TRP A 13 -0.335 -7.521 3.421 1.00 0.00 C ATOM 176 CH2 TRP A 13 -0.628 -6.487 4.322 1.00 0.00 C ATOM 177 H TRP A 13 -0.394 -5.963 -0.192 1.00 0.00 H ATOM 178 HA TRP A 13 -1.532 -7.228 -2.516 1.00 0.00 H ATOM 179 HB2 TRP A 13 -3.661 -7.137 -1.079 1.00 0.00 H ATOM 180 HB3 TRP A 13 -2.322 -8.118 -0.488 1.00 0.00 H ATOM 181 HD1 TRP A 13 -4.011 -4.717 0.086 1.00 0.00 H ATOM 182 HE1 TRP A 13 -3.414 -3.895 2.453 1.00 0.00 H ATOM 183 HE3 TRP A 13 -0.708 -8.350 1.466 1.00 0.00 H ATOM 184 HZ2 TRP A 13 -1.758 -4.683 4.652 1.00 0.00 H ATOM 185 HZ3 TRP A 13 0.363 -8.297 3.701 1.00 0.00 H ATOM 186 HH2 TRP A 13 -0.157 -6.469 5.294 1.00 0.00 H ATOM 187 N ILE A 14 -1.785 -4.125 -2.379 1.00 0.00 N ATOM 188 CA ILE A 14 -2.363 -2.933 -2.994 1.00 0.00 C ATOM 189 C ILE A 14 -1.592 -2.588 -4.265 1.00 0.00 C ATOM 190 O ILE A 14 -0.390 -2.331 -4.220 1.00 0.00 O ATOM 191 CB ILE A 14 -2.281 -1.753 -2.024 1.00 0.00 C ATOM 192 CG1 ILE A 14 -2.927 -2.120 -0.683 1.00 0.00 C ATOM 193 CG2 ILE A 14 -3.001 -0.544 -2.625 1.00 0.00 C ATOM 194 CD1 ILE A 14 -4.425 -2.395 -0.856 1.00 0.00 C ATOM 195 H ILE A 14 -0.914 -4.060 -1.939 1.00 0.00 H ATOM 196 HA ILE A 14 -3.394 -3.121 -3.247 1.00 0.00 H ATOM 197 HB ILE A 14 -1.250 -1.503 -1.862 1.00 0.00 H ATOM 198 HG12 ILE A 14 -2.444 -3.005 -0.297 1.00 0.00 H ATOM 199 HG13 ILE A 14 -2.786 -1.309 0.016 1.00 0.00 H ATOM 200 HG21 ILE A 14 -3.112 0.218 -1.868 1.00 0.00 H ATOM 201 HG22 ILE A 14 -3.974 -0.845 -2.979 1.00 0.00 H ATOM 202 HG23 ILE A 14 -2.425 -0.152 -3.447 1.00 0.00 H ATOM 203 HD11 ILE A 14 -4.925 -1.494 -1.177 1.00 0.00 H ATOM 204 HD12 ILE A 14 -4.841 -2.718 0.085 1.00 0.00 H ATOM 205 HD13 ILE A 14 -4.571 -3.169 -1.590 1.00 0.00 H ATOM 206 N ARG A 15 -2.292 -2.581 -5.395 1.00 0.00 N ATOM 207 CA ARG A 15 -1.660 -2.269 -6.673 1.00 0.00 C ATOM 208 C ARG A 15 -1.147 -0.831 -6.688 1.00 0.00 C ATOM 209 O ARG A 15 -0.140 -0.525 -7.329 1.00 0.00 O ATOM 210 CB ARG A 15 -2.676 -2.468 -7.802 1.00 0.00 C ATOM 211 CG ARG A 15 -3.783 -1.417 -7.688 1.00 0.00 C ATOM 212 CD ARG A 15 -4.842 -1.664 -8.759 1.00 0.00 C ATOM 213 NE ARG A 15 -4.265 -1.493 -10.086 1.00 0.00 N ATOM 214 CZ ARG A 15 -4.959 -1.762 -11.195 1.00 0.00 C ATOM 215 NH1 ARG A 15 -6.196 -2.192 -11.123 1.00 0.00 N ATOM 216 NH2 ARG A 15 -4.400 -1.593 -12.362 1.00 0.00 N ATOM 217 H ARG A 15 -3.247 -2.796 -5.370 1.00 0.00 H ATOM 218 HA ARG A 15 -0.829 -2.939 -6.831 1.00 0.00 H ATOM 219 HB2 ARG A 15 -2.177 -2.365 -8.756 1.00 0.00 H ATOM 220 HB3 ARG A 15 -3.109 -3.454 -7.726 1.00 0.00 H ATOM 221 HG2 ARG A 15 -4.237 -1.478 -6.712 1.00 0.00 H ATOM 222 HG3 ARG A 15 -3.362 -0.433 -7.828 1.00 0.00 H ATOM 223 HD2 ARG A 15 -5.221 -2.669 -8.662 1.00 0.00 H ATOM 224 HD3 ARG A 15 -5.653 -0.962 -8.626 1.00 0.00 H ATOM 225 HE ARG A 15 -3.342 -1.174 -10.164 1.00 0.00 H ATOM 226 HH11 ARG A 15 -6.635 -2.324 -10.236 1.00 0.00 H ATOM 227 HH12 ARG A 15 -6.701 -2.389 -11.963 1.00 0.00 H ATOM 228 HH21 ARG A 15 -3.459 -1.265 -12.425 1.00 0.00 H ATOM 229 HH22 ARG A 15 -4.916 -1.794 -13.196 1.00 0.00 H ATOM 230 N SER A 16 -1.846 0.047 -5.978 1.00 0.00 N ATOM 231 CA SER A 16 -1.456 1.450 -5.915 1.00 0.00 C ATOM 232 C SER A 16 -0.091 1.608 -5.244 1.00 0.00 C ATOM 233 O SER A 16 0.752 2.377 -5.700 1.00 0.00 O ATOM 234 CB SER A 16 -2.506 2.251 -5.147 1.00 0.00 C ATOM 235 OG SER A 16 -2.120 3.617 -5.122 1.00 0.00 O ATOM 236 H SER A 16 -2.640 -0.254 -5.487 1.00 0.00 H ATOM 237 HA SER A 16 -1.395 1.837 -6.920 1.00 0.00 H ATOM 238 HB2 SER A 16 -3.462 2.159 -5.638 1.00 0.00 H ATOM 239 HB3 SER A 16 -2.584 1.868 -4.139 1.00 0.00 H ATOM 240 HG SER A 16 -2.584 4.069 -5.830 1.00 0.00 H ATOM 241 N CYS A 17 0.108 0.876 -4.151 1.00 0.00 N ATOM 242 CA CYS A 17 1.365 0.935 -3.410 1.00 0.00 C ATOM 243 C CYS A 17 2.452 0.156 -4.139 1.00 0.00 C ATOM 244 O CYS A 17 3.630 0.509 -4.067 1.00 0.00 O ATOM 245 CB CYS A 17 1.161 0.347 -2.014 1.00 0.00 C ATOM 246 SG CYS A 17 0.636 1.652 -0.874 1.00 0.00 S ATOM 247 H CYS A 17 -0.605 0.286 -3.837 1.00 0.00 H ATOM 248 HA CYS A 17 1.673 1.966 -3.310 1.00 0.00 H ATOM 249 HB2 CYS A 17 0.403 -0.413 -2.058 1.00 0.00 H ATOM 250 HB3 CYS A 17 2.081 -0.089 -1.664 1.00 0.00 H HETATM 251 N NH2 A 18 2.126 -0.892 -4.845 1.00 0.00 N HETATM 252 HN1 NH2 A 18 1.184 -1.171 -4.900 1.00 0.00 H HETATM 253 HN2 NH2 A 18 2.819 -1.400 -5.319 1.00 0.00 H TER 254 NH2 A 18