HETATM 1 C ACE A 0 8.954 -2.468 4.770 1.00 0.00 C HETATM 2 O ACE A 0 9.815 -1.929 5.462 1.00 0.00 O HETATM 3 CH3 ACE A 0 7.550 -1.882 4.692 1.00 0.00 C HETATM 4 H1 ACE A 0 7.416 -1.418 3.715 1.00 0.00 H HETATM 5 H2 ACE A 0 6.808 -2.669 4.827 1.00 0.00 H HETATM 6 H3 ACE A 0 7.421 -1.128 5.469 1.00 0.00 H ATOM 7 N ASN A 1 9.177 -3.573 4.049 1.00 0.00 N ATOM 8 CA ASN A 1 10.480 -4.215 3.935 1.00 0.00 C ATOM 9 C ASN A 1 11.436 -3.280 3.201 1.00 0.00 C ATOM 10 O ASN A 1 12.527 -2.989 3.687 1.00 0.00 O ATOM 11 CB ASN A 1 10.357 -5.557 3.200 1.00 0.00 C ATOM 12 CG ASN A 1 9.447 -6.538 3.937 1.00 0.00 C ATOM 13 OD1 ASN A 1 9.909 -7.301 4.781 1.00 0.00 O ATOM 14 ND2 ASN A 1 8.151 -6.524 3.617 1.00 0.00 N ATOM 15 H ASN A 1 8.417 -3.954 3.503 1.00 0.00 H ATOM 16 HA ASN A 1 10.872 -4.402 4.933 1.00 0.00 H ATOM 17 HB2 ASN A 1 9.978 -5.399 2.189 1.00 0.00 H ATOM 18 HB3 ASN A 1 11.350 -6.001 3.122 1.00 0.00 H ATOM 19 HD21 ASN A 1 7.809 -5.880 2.916 1.00 0.00 H ATOM 20 HD22 ASN A 1 7.517 -7.158 4.081 1.00 0.00 H ATOM 21 N LEU A 2 10.993 -2.804 2.035 1.00 0.00 N ATOM 22 CA LEU A 2 11.656 -1.766 1.262 1.00 0.00 C ATOM 23 C LEU A 2 11.054 -0.413 1.662 1.00 0.00 C ATOM 24 O LEU A 2 9.894 -0.366 2.075 1.00 0.00 O ATOM 25 CB LEU A 2 11.458 -2.042 -0.237 1.00 0.00 C ATOM 26 CG LEU A 2 12.007 -3.405 -0.695 1.00 0.00 C ATOM 27 CD1 LEU A 2 11.742 -3.572 -2.195 1.00 0.00 C ATOM 28 CD2 LEU A 2 13.511 -3.545 -0.432 1.00 0.00 C ATOM 29 H LEU A 2 10.079 -3.101 1.729 1.00 0.00 H ATOM 30 HA LEU A 2 12.720 -1.771 1.490 1.00 0.00 H ATOM 31 HB2 LEU A 2 10.391 -2.015 -0.454 1.00 0.00 H ATOM 32 HB3 LEU A 2 11.940 -1.254 -0.815 1.00 0.00 H ATOM 33 HG LEU A 2 11.484 -4.206 -0.171 1.00 0.00 H ATOM 34 HD11 LEU A 2 12.096 -4.549 -2.528 1.00 0.00 H ATOM 35 HD12 LEU A 2 10.673 -3.504 -2.391 1.00 0.00 H ATOM 36 HD13 LEU A 2 12.259 -2.794 -2.757 1.00 0.00 H ATOM 37 HD21 LEU A 2 13.709 -3.590 0.638 1.00 0.00 H ATOM 38 HD22 LEU A 2 13.877 -4.468 -0.883 1.00 0.00 H ATOM 39 HD23 LEU A 2 14.048 -2.700 -0.865 1.00 0.00 H ATOM 40 N PRO A 3 11.814 0.691 1.557 1.00 0.00 N ATOM 41 CA PRO A 3 11.350 2.023 1.920 1.00 0.00 C ATOM 42 C PRO A 3 10.400 2.565 0.846 1.00 0.00 C ATOM 43 O PRO A 3 10.786 3.382 0.012 1.00 0.00 O ATOM 44 CB PRO A 3 12.626 2.859 2.066 1.00 0.00 C ATOM 45 CG PRO A 3 13.577 2.213 1.059 1.00 0.00 C ATOM 46 CD PRO A 3 13.213 0.731 1.159 1.00 0.00 C ATOM 47 HA PRO A 3 10.832 2.005 2.880 1.00 0.00 H ATOM 48 HB2 PRO A 3 12.474 3.923 1.879 1.00 0.00 H ATOM 49 HB3 PRO A 3 13.030 2.718 3.070 1.00 0.00 H ATOM 50 HG2 PRO A 3 13.354 2.578 0.056 1.00 0.00 H ATOM 51 HG3 PRO A 3 14.624 2.399 1.302 1.00 0.00 H ATOM 52 HD2 PRO A 3 13.387 0.239 0.203 1.00 0.00 H ATOM 53 HD3 PRO A 3 13.821 0.266 1.937 1.00 0.00 H ATOM 54 N ARG A 4 9.147 2.099 0.876 1.00 0.00 N ATOM 55 CA ARG A 4 8.101 2.484 -0.059 1.00 0.00 C ATOM 56 C ARG A 4 6.737 2.233 0.585 1.00 0.00 C ATOM 57 O ARG A 4 6.554 1.228 1.276 1.00 0.00 O ATOM 58 CB ARG A 4 8.251 1.707 -1.378 1.00 0.00 C ATOM 59 CG ARG A 4 8.120 0.193 -1.169 1.00 0.00 C ATOM 60 CD ARG A 4 8.310 -0.595 -2.462 1.00 0.00 C ATOM 61 NE ARG A 4 8.118 -2.025 -2.198 1.00 0.00 N ATOM 62 CZ ARG A 4 7.953 -2.974 -3.133 1.00 0.00 C ATOM 63 NH1 ARG A 4 7.991 -2.669 -4.437 1.00 0.00 N ATOM 64 NH2 ARG A 4 7.750 -4.242 -2.753 1.00 0.00 N ATOM 65 H ARG A 4 8.908 1.403 1.571 1.00 0.00 H ATOM 66 HA ARG A 4 8.194 3.550 -0.272 1.00 0.00 H ATOM 67 HB2 ARG A 4 7.480 2.039 -2.075 1.00 0.00 H ATOM 68 HB3 ARG A 4 9.227 1.925 -1.813 1.00 0.00 H ATOM 69 HG2 ARG A 4 8.863 -0.141 -0.447 1.00 0.00 H ATOM 70 HG3 ARG A 4 7.126 -0.042 -0.792 1.00 0.00 H ATOM 71 HD2 ARG A 4 7.578 -0.251 -3.195 1.00 0.00 H ATOM 72 HD3 ARG A 4 9.317 -0.428 -2.849 1.00 0.00 H ATOM 73 HE ARG A 4 8.094 -2.299 -1.223 1.00 0.00 H ATOM 74 HH11 ARG A 4 8.153 -1.716 -4.729 1.00 0.00 H ATOM 75 HH12 ARG A 4 7.864 -3.390 -5.132 1.00 0.00 H ATOM 76 HH21 ARG A 4 7.720 -4.477 -1.771 1.00 0.00 H ATOM 77 HH22 ARG A 4 7.623 -4.965 -3.446 1.00 0.00 H ATOM 78 N CYS A 5 5.786 3.147 0.356 1.00 0.00 N ATOM 79 CA CYS A 5 4.400 2.990 0.770 1.00 0.00 C ATOM 80 C CYS A 5 3.477 3.523 -0.322 1.00 0.00 C ATOM 81 O CYS A 5 3.871 4.389 -1.103 1.00 0.00 O ATOM 82 CB CYS A 5 4.137 3.683 2.116 1.00 0.00 C ATOM 83 SG CYS A 5 5.300 3.334 3.472 1.00 0.00 S ATOM 84 H CYS A 5 6.005 3.956 -0.208 1.00 0.00 H ATOM 85 HA CYS A 5 4.183 1.931 0.851 1.00 0.00 H ATOM 86 HB2 CYS A 5 4.172 4.759 1.947 1.00 0.00 H ATOM 87 HB3 CYS A 5 3.131 3.430 2.453 1.00 0.00 H ATOM 88 N THR A 6 2.253 2.987 -0.373 1.00 0.00 N ATOM 89 CA THR A 6 1.244 3.305 -1.372 1.00 0.00 C ATOM 90 C THR A 6 -0.113 3.429 -0.683 1.00 0.00 C ATOM 91 O THR A 6 -0.405 2.668 0.239 1.00 0.00 O ATOM 92 CB THR A 6 1.202 2.198 -2.437 1.00 0.00 C ATOM 93 OG1 THR A 6 1.087 0.930 -1.822 1.00 0.00 O ATOM 94 CG2 THR A 6 2.452 2.216 -3.323 1.00 0.00 C ATOM 95 H THR A 6 2.006 2.281 0.309 1.00 0.00 H ATOM 96 HA THR A 6 1.472 4.256 -1.856 1.00 0.00 H ATOM 97 HB THR A 6 0.332 2.358 -3.076 1.00 0.00 H ATOM 98 HG1 THR A 6 0.369 0.960 -1.184 1.00 0.00 H ATOM 99 HG21 THR A 6 3.343 2.007 -2.733 1.00 0.00 H ATOM 100 HG22 THR A 6 2.356 1.457 -4.099 1.00 0.00 H ATOM 101 HG23 THR A 6 2.556 3.193 -3.795 1.00 0.00 H ATOM 102 N GLU A 7 -0.938 4.381 -1.137 1.00 0.00 N ATOM 103 CA GLU A 7 -2.273 4.610 -0.606 1.00 0.00 C ATOM 104 C GLU A 7 -3.213 3.507 -1.095 1.00 0.00 C ATOM 105 O GLU A 7 -3.795 3.617 -2.173 1.00 0.00 O ATOM 106 CB GLU A 7 -2.754 6.010 -1.004 1.00 0.00 C ATOM 107 CG GLU A 7 -4.021 6.391 -0.231 1.00 0.00 C ATOM 108 CD GLU A 7 -4.404 7.844 -0.491 1.00 0.00 C ATOM 109 OE1 GLU A 7 -3.921 8.705 0.276 1.00 0.00 O ATOM 110 OE2 GLU A 7 -5.170 8.069 -1.453 1.00 0.00 O ATOM 111 H GLU A 7 -0.632 4.971 -1.897 1.00 0.00 H ATOM 112 HA GLU A 7 -2.225 4.591 0.480 1.00 0.00 H ATOM 113 HB2 GLU A 7 -1.973 6.729 -0.761 1.00 0.00 H ATOM 114 HB3 GLU A 7 -2.942 6.062 -2.078 1.00 0.00 H ATOM 115 HG2 GLU A 7 -4.846 5.743 -0.530 1.00 0.00 H ATOM 116 HG3 GLU A 7 -3.850 6.262 0.838 1.00 0.00 H ATOM 117 N GLY A 8 -3.353 2.439 -0.302 1.00 0.00 N ATOM 118 CA GLY A 8 -4.200 1.305 -0.633 1.00 0.00 C ATOM 119 C GLY A 8 -5.673 1.592 -0.322 1.00 0.00 C ATOM 120 O GLY A 8 -5.994 2.650 0.221 1.00 0.00 O ATOM 121 H GLY A 8 -2.865 2.413 0.583 1.00 0.00 H ATOM 122 HA2 GLY A 8 -4.073 1.071 -1.690 1.00 0.00 H ATOM 123 HA3 GLY A 8 -3.876 0.448 -0.042 1.00 0.00 H ATOM 124 N PRO A 9 -6.578 0.653 -0.653 1.00 0.00 N ATOM 125 CA PRO A 9 -8.006 0.766 -0.381 1.00 0.00 C ATOM 126 C PRO A 9 -8.294 1.027 1.099 1.00 0.00 C ATOM 127 O PRO A 9 -9.131 1.864 1.428 1.00 0.00 O ATOM 128 CB PRO A 9 -8.629 -0.556 -0.843 1.00 0.00 C ATOM 129 CG PRO A 9 -7.639 -1.073 -1.884 1.00 0.00 C ATOM 130 CD PRO A 9 -6.293 -0.594 -1.344 1.00 0.00 C ATOM 131 HA PRO A 9 -8.409 1.580 -0.986 1.00 0.00 H ATOM 132 HB2 PRO A 9 -8.672 -1.267 -0.019 1.00 0.00 H ATOM 133 HB3 PRO A 9 -9.627 -0.415 -1.260 1.00 0.00 H ATOM 134 HG2 PRO A 9 -7.681 -2.158 -1.994 1.00 0.00 H ATOM 135 HG3 PRO A 9 -7.839 -0.588 -2.841 1.00 0.00 H ATOM 136 HD2 PRO A 9 -5.900 -1.318 -0.629 1.00 0.00 H ATOM 137 HD3 PRO A 9 -5.598 -0.471 -2.173 1.00 0.00 H ATOM 138 N TRP A 10 -7.587 0.311 1.983 1.00 0.00 N ATOM 139 CA TRP A 10 -7.754 0.384 3.428 1.00 0.00 C ATOM 140 C TRP A 10 -6.669 1.283 4.025 1.00 0.00 C ATOM 141 O TRP A 10 -6.021 0.919 5.006 1.00 0.00 O ATOM 142 CB TRP A 10 -7.701 -1.040 3.995 1.00 0.00 C ATOM 143 CG TRP A 10 -8.630 -2.010 3.334 1.00 0.00 C ATOM 144 CD1 TRP A 10 -9.948 -2.160 3.592 1.00 0.00 C ATOM 145 CD2 TRP A 10 -8.330 -2.935 2.253 1.00 0.00 C ATOM 146 NE1 TRP A 10 -10.484 -3.117 2.753 1.00 0.00 N ATOM 147 CE2 TRP A 10 -9.526 -3.620 1.893 1.00 0.00 C ATOM 148 CE3 TRP A 10 -7.162 -3.250 1.529 1.00 0.00 C ATOM 149 CZ2 TRP A 10 -9.561 -4.570 0.862 1.00 0.00 C ATOM 150 CZ3 TRP A 10 -7.186 -4.196 0.488 1.00 0.00 C ATOM 151 CH2 TRP A 10 -8.382 -4.855 0.153 1.00 0.00 C ATOM 152 H TRP A 10 -6.906 -0.348 1.633 1.00 0.00 H ATOM 153 HA TRP A 10 -8.729 0.807 3.676 1.00 0.00 H ATOM 154 HB2 TRP A 10 -6.687 -1.424 3.876 1.00 0.00 H ATOM 155 HB3 TRP A 10 -7.922 -1.021 5.059 1.00 0.00 H ATOM 156 HD1 TRP A 10 -10.503 -1.605 4.334 1.00 0.00 H ATOM 157 HE1 TRP A 10 -11.449 -3.415 2.742 1.00 0.00 H ATOM 158 HE3 TRP A 10 -6.243 -2.746 1.793 1.00 0.00 H ATOM 159 HZ2 TRP A 10 -10.484 -5.073 0.613 1.00 0.00 H ATOM 160 HZ3 TRP A 10 -6.280 -4.417 -0.058 1.00 0.00 H ATOM 161 HH2 TRP A 10 -8.394 -5.581 -0.647 1.00 0.00 H ATOM 162 N GLY A 11 -6.472 2.461 3.423 1.00 0.00 N ATOM 163 CA GLY A 11 -5.463 3.418 3.846 1.00 0.00 C ATOM 164 C GLY A 11 -4.078 3.030 3.331 1.00 0.00 C ATOM 165 O GLY A 11 -3.931 2.104 2.533 1.00 0.00 O ATOM 166 H GLY A 11 -7.028 2.694 2.612 1.00 0.00 H ATOM 167 HA2 GLY A 11 -5.724 4.396 3.442 1.00 0.00 H ATOM 168 HA3 GLY A 11 -5.445 3.485 4.935 1.00 0.00 H ATOM 169 N TRP A 12 -3.054 3.754 3.796 1.00 0.00 N ATOM 170 CA TRP A 12 -1.678 3.539 3.381 1.00 0.00 C ATOM 171 C TRP A 12 -1.153 2.191 3.866 1.00 0.00 C ATOM 172 O TRP A 12 -1.347 1.821 5.023 1.00 0.00 O ATOM 173 CB TRP A 12 -0.793 4.691 3.862 1.00 0.00 C ATOM 174 CG TRP A 12 -0.996 5.978 3.127 1.00 0.00 C ATOM 175 CD1 TRP A 12 -1.958 6.890 3.387 1.00 0.00 C ATOM 176 CD2 TRP A 12 -0.248 6.502 1.990 1.00 0.00 C ATOM 177 NE1 TRP A 12 -1.858 7.943 2.502 1.00 0.00 N ATOM 178 CE2 TRP A 12 -0.815 7.756 1.619 1.00 0.00 C ATOM 179 CE3 TRP A 12 0.854 6.047 1.234 1.00 0.00 C ATOM 180 CZ2 TRP A 12 -0.315 8.520 0.553 1.00 0.00 C ATOM 181 CZ3 TRP A 12 1.360 6.802 0.159 1.00 0.00 C ATOM 182 CH2 TRP A 12 0.777 8.035 -0.183 1.00 0.00 C ATOM 183 H TRP A 12 -3.236 4.490 4.462 1.00 0.00 H ATOM 184 HA TRP A 12 -1.651 3.538 2.295 1.00 0.00 H ATOM 185 HB2 TRP A 12 -0.959 4.859 4.927 1.00 0.00 H ATOM 186 HB3 TRP A 12 0.250 4.405 3.727 1.00 0.00 H ATOM 187 HD1 TRP A 12 -2.700 6.808 4.169 1.00 0.00 H ATOM 188 HE1 TRP A 12 -2.464 8.749 2.482 1.00 0.00 H ATOM 189 HE3 TRP A 12 1.316 5.104 1.485 1.00 0.00 H ATOM 190 HZ2 TRP A 12 -0.771 9.465 0.298 1.00 0.00 H ATOM 191 HZ3 TRP A 12 2.203 6.435 -0.406 1.00 0.00 H ATOM 192 HH2 TRP A 12 1.171 8.608 -1.009 1.00 0.00 H ATOM 193 N VAL A 13 -0.481 1.474 2.958 1.00 0.00 N ATOM 194 CA VAL A 13 0.179 0.204 3.208 1.00 0.00 C ATOM 195 C VAL A 13 1.615 0.313 2.697 1.00 0.00 C ATOM 196 O VAL A 13 1.847 0.854 1.616 1.00 0.00 O ATOM 197 CB VAL A 13 -0.614 -0.946 2.558 1.00 0.00 C ATOM 198 CG1 VAL A 13 -0.795 -0.788 1.042 1.00 0.00 C ATOM 199 CG2 VAL A 13 0.044 -2.300 2.857 1.00 0.00 C ATOM 200 H VAL A 13 -0.376 1.857 2.027 1.00 0.00 H ATOM 201 HA VAL A 13 0.213 0.020 4.283 1.00 0.00 H ATOM 202 HB VAL A 13 -1.607 -0.956 3.011 1.00 0.00 H ATOM 203 HG11 VAL A 13 0.167 -0.816 0.532 1.00 0.00 H ATOM 204 HG12 VAL A 13 -1.410 -1.607 0.666 1.00 0.00 H ATOM 205 HG13 VAL A 13 -1.299 0.150 0.812 1.00 0.00 H ATOM 206 HG21 VAL A 13 -0.595 -3.104 2.492 1.00 0.00 H ATOM 207 HG22 VAL A 13 1.015 -2.372 2.365 1.00 0.00 H ATOM 208 HG23 VAL A 13 0.177 -2.418 3.933 1.00 0.00 H ATOM 209 N CYS A 14 2.570 -0.188 3.488 1.00 0.00 N ATOM 210 CA CYS A 14 3.991 -0.171 3.172 1.00 0.00 C ATOM 211 C CYS A 14 4.437 -1.581 2.802 1.00 0.00 C ATOM 212 O CYS A 14 3.994 -2.551 3.416 1.00 0.00 O ATOM 213 CB CYS A 14 4.781 0.420 4.339 1.00 0.00 C ATOM 214 SG CYS A 14 4.306 2.112 4.795 1.00 0.00 S ATOM 215 H CYS A 14 2.300 -0.626 4.357 1.00 0.00 H ATOM 216 HA CYS A 14 4.172 0.467 2.318 1.00 0.00 H ATOM 217 HB2 CYS A 14 4.644 -0.221 5.210 1.00 0.00 H ATOM 218 HB3 CYS A 14 5.840 0.429 4.082 1.00 0.00 H ATOM 219 N MET A 15 5.294 -1.684 1.778 1.00 0.00 N ATOM 220 CA MET A 15 5.653 -2.942 1.137 1.00 0.00 C ATOM 221 C MET A 15 7.150 -3.215 1.281 1.00 0.00 C ATOM 222 O MET A 15 7.942 -2.373 0.806 1.00 0.00 O ATOM 223 CB MET A 15 5.242 -2.887 -0.339 1.00 0.00 C ATOM 224 CG MET A 15 3.726 -2.722 -0.505 1.00 0.00 C ATOM 225 SD MET A 15 3.138 -2.721 -2.220 1.00 0.00 S ATOM 226 CE MET A 15 3.933 -1.215 -2.836 1.00 0.00 C ATOM 227 OXT MET A 15 7.479 -4.273 1.861 1.00 0.00 O ATOM 228 H MET A 15 5.663 -0.832 1.376 1.00 0.00 H ATOM 229 HA MET A 15 5.115 -3.773 1.595 1.00 0.00 H ATOM 230 HB2 MET A 15 5.744 -2.050 -0.820 1.00 0.00 H ATOM 231 HB3 MET A 15 5.547 -3.812 -0.829 1.00 0.00 H ATOM 232 HG2 MET A 15 3.229 -3.543 0.013 1.00 0.00 H ATOM 233 HG3 MET A 15 3.404 -1.786 -0.047 1.00 0.00 H ATOM 234 HE1 MET A 15 3.517 -0.966 -3.812 1.00 0.00 H ATOM 235 HE2 MET A 15 3.747 -0.394 -2.143 1.00 0.00 H ATOM 236 HE3 MET A 15 5.006 -1.375 -2.936 1.00 0.00 H TER 237 MET A 15