HETATM 1 C ACE A 0 8.098 -5.389 -2.690 1.00 0.00 C HETATM 2 O ACE A 0 8.981 -5.058 -3.478 1.00 0.00 O HETATM 3 CH3 ACE A 0 6.643 -5.408 -3.142 1.00 0.00 C HETATM 4 H1 ACE A 0 6.558 -4.972 -4.138 1.00 0.00 H HETATM 5 H2 ACE A 0 6.286 -6.438 -3.170 1.00 0.00 H HETATM 6 H3 ACE A 0 6.033 -4.833 -2.447 1.00 0.00 H ATOM 7 N ASN A 1 8.327 -5.749 -1.419 1.00 0.00 N ATOM 8 CA ASN A 1 9.633 -5.828 -0.766 1.00 0.00 C ATOM 9 C ASN A 1 10.540 -4.634 -1.091 1.00 0.00 C ATOM 10 O ASN A 1 11.667 -4.806 -1.554 1.00 0.00 O ATOM 11 CB ASN A 1 10.283 -7.205 -1.001 1.00 0.00 C ATOM 12 CG ASN A 1 10.408 -7.610 -2.472 1.00 0.00 C ATOM 13 OD1 ASN A 1 9.628 -8.425 -2.959 1.00 0.00 O ATOM 14 ND2 ASN A 1 11.390 -7.055 -3.185 1.00 0.00 N ATOM 15 H ASN A 1 7.528 -5.988 -0.851 1.00 0.00 H ATOM 16 HA ASN A 1 9.447 -5.769 0.308 1.00 0.00 H ATOM 17 HB2 ASN A 1 11.268 -7.230 -0.533 1.00 0.00 H ATOM 18 HB3 ASN A 1 9.664 -7.953 -0.504 1.00 0.00 H ATOM 19 HD21 ASN A 1 11.981 -6.356 -2.754 1.00 0.00 H ATOM 20 HD22 ASN A 1 11.506 -7.300 -4.157 1.00 0.00 H ATOM 21 N LEU A 2 10.043 -3.416 -0.834 1.00 0.00 N ATOM 22 CA LEU A 2 10.755 -2.173 -1.104 1.00 0.00 C ATOM 23 C LEU A 2 10.347 -1.098 -0.086 1.00 0.00 C ATOM 24 O LEU A 2 9.242 -1.164 0.452 1.00 0.00 O ATOM 25 CB LEU A 2 10.558 -1.765 -2.576 1.00 0.00 C ATOM 26 CG LEU A 2 9.102 -1.589 -3.052 1.00 0.00 C ATOM 27 CD1 LEU A 2 8.535 -0.214 -2.686 1.00 0.00 C ATOM 28 CD2 LEU A 2 9.064 -1.727 -4.579 1.00 0.00 C ATOM 29 H LEU A 2 9.119 -3.343 -0.426 1.00 0.00 H ATOM 30 HA LEU A 2 11.816 -2.374 -0.965 1.00 0.00 H ATOM 31 HB2 LEU A 2 11.112 -0.852 -2.787 1.00 0.00 H ATOM 32 HB3 LEU A 2 11.008 -2.559 -3.173 1.00 0.00 H ATOM 33 HG LEU A 2 8.462 -2.364 -2.631 1.00 0.00 H ATOM 34 HD11 LEU A 2 8.374 -0.129 -1.617 1.00 0.00 H ATOM 35 HD12 LEU A 2 9.228 0.565 -2.997 1.00 0.00 H ATOM 36 HD13 LEU A 2 7.577 -0.063 -3.184 1.00 0.00 H ATOM 37 HD21 LEU A 2 9.706 -0.974 -5.036 1.00 0.00 H ATOM 38 HD22 LEU A 2 9.411 -2.717 -4.875 1.00 0.00 H ATOM 39 HD23 LEU A 2 8.044 -1.596 -4.940 1.00 0.00 H ATOM 40 N PRO A 3 11.222 -0.120 0.217 1.00 0.00 N ATOM 41 CA PRO A 3 11.003 0.853 1.280 1.00 0.00 C ATOM 42 C PRO A 3 10.155 2.038 0.799 1.00 0.00 C ATOM 43 O PRO A 3 10.627 3.173 0.769 1.00 0.00 O ATOM 44 CB PRO A 3 12.414 1.273 1.708 1.00 0.00 C ATOM 45 CG PRO A 3 13.180 1.231 0.387 1.00 0.00 C ATOM 46 CD PRO A 3 12.579 0.003 -0.298 1.00 0.00 C ATOM 47 HA PRO A 3 10.505 0.391 2.135 1.00 0.00 H ATOM 48 HB2 PRO A 3 12.459 2.248 2.194 1.00 0.00 H ATOM 49 HB3 PRO A 3 12.824 0.515 2.376 1.00 0.00 H ATOM 50 HG2 PRO A 3 12.958 2.125 -0.198 1.00 0.00 H ATOM 51 HG3 PRO A 3 14.256 1.137 0.536 1.00 0.00 H ATOM 52 HD2 PRO A 3 12.602 0.130 -1.379 1.00 0.00 H ATOM 53 HD3 PRO A 3 13.163 -0.871 -0.007 1.00 0.00 H ATOM 54 N ARG A 4 8.893 1.773 0.443 1.00 0.00 N ATOM 55 CA ARG A 4 7.888 2.790 0.149 1.00 0.00 C ATOM 56 C ARG A 4 6.526 2.299 0.635 1.00 0.00 C ATOM 57 O ARG A 4 6.388 1.144 1.040 1.00 0.00 O ATOM 58 CB ARG A 4 7.834 3.114 -1.353 1.00 0.00 C ATOM 59 CG ARG A 4 9.156 3.667 -1.900 1.00 0.00 C ATOM 60 CD ARG A 4 8.968 4.263 -3.300 1.00 0.00 C ATOM 61 NE ARG A 4 8.467 3.272 -4.263 1.00 0.00 N ATOM 62 CZ ARG A 4 9.222 2.423 -4.980 1.00 0.00 C ATOM 63 NH1 ARG A 4 10.552 2.372 -4.820 1.00 0.00 N ATOM 64 NH2 ARG A 4 8.633 1.611 -5.867 1.00 0.00 N ATOM 65 H ARG A 4 8.575 0.812 0.480 1.00 0.00 H ATOM 66 HA ARG A 4 8.122 3.705 0.697 1.00 0.00 H ATOM 67 HB2 ARG A 4 7.550 2.220 -1.908 1.00 0.00 H ATOM 68 HB3 ARG A 4 7.063 3.870 -1.509 1.00 0.00 H ATOM 69 HG2 ARG A 4 9.509 4.463 -1.243 1.00 0.00 H ATOM 70 HG3 ARG A 4 9.905 2.876 -1.936 1.00 0.00 H ATOM 71 HD2 ARG A 4 8.245 5.077 -3.242 1.00 0.00 H ATOM 72 HD3 ARG A 4 9.913 4.686 -3.645 1.00 0.00 H ATOM 73 HE ARG A 4 7.466 3.255 -4.403 1.00 0.00 H ATOM 74 HH11 ARG A 4 11.003 2.969 -4.142 1.00 0.00 H ATOM 75 HH12 ARG A 4 11.105 1.731 -5.369 1.00 0.00 H ATOM 76 HH21 ARG A 4 7.631 1.639 -5.994 1.00 0.00 H ATOM 77 HH22 ARG A 4 9.188 0.966 -6.411 1.00 0.00 H ATOM 78 N CYS A 5 5.520 3.182 0.588 1.00 0.00 N ATOM 79 CA CYS A 5 4.144 2.868 0.946 1.00 0.00 C ATOM 80 C CYS A 5 3.194 3.444 -0.100 1.00 0.00 C ATOM 81 O CYS A 5 3.557 4.365 -0.831 1.00 0.00 O ATOM 82 CB CYS A 5 3.813 3.385 2.356 1.00 0.00 C ATOM 83 SG CYS A 5 5.018 2.998 3.663 1.00 0.00 S ATOM 84 H CYS A 5 5.701 4.113 0.239 1.00 0.00 H ATOM 85 HA CYS A 5 4.011 1.792 0.904 1.00 0.00 H ATOM 86 HB2 CYS A 5 3.741 4.472 2.309 1.00 0.00 H ATOM 87 HB3 CYS A 5 2.837 2.999 2.655 1.00 0.00 H ATOM 88 N THR A 6 1.986 2.874 -0.175 1.00 0.00 N ATOM 89 CA THR A 6 0.992 3.173 -1.194 1.00 0.00 C ATOM 90 C THR A 6 -0.371 3.362 -0.529 1.00 0.00 C ATOM 91 O THR A 6 -0.754 2.566 0.327 1.00 0.00 O ATOM 92 CB THR A 6 0.946 2.033 -2.225 1.00 0.00 C ATOM 93 OG1 THR A 6 0.630 0.804 -1.603 1.00 0.00 O ATOM 94 CG2 THR A 6 2.275 1.887 -2.974 1.00 0.00 C ATOM 95 H THR A 6 1.752 2.145 0.485 1.00 0.00 H ATOM 96 HA THR A 6 1.251 4.096 -1.716 1.00 0.00 H ATOM 97 HB THR A 6 0.167 2.258 -2.956 1.00 0.00 H ATOM 98 HG1 THR A 6 1.274 0.629 -0.911 1.00 0.00 H ATOM 99 HG21 THR A 6 2.169 1.131 -3.752 1.00 0.00 H ATOM 100 HG22 THR A 6 2.546 2.836 -3.437 1.00 0.00 H ATOM 101 HG23 THR A 6 3.069 1.578 -2.294 1.00 0.00 H ATOM 102 N GLU A 7 -1.101 4.412 -0.927 1.00 0.00 N ATOM 103 CA GLU A 7 -2.430 4.706 -0.414 1.00 0.00 C ATOM 104 C GLU A 7 -3.447 3.787 -1.095 1.00 0.00 C ATOM 105 O GLU A 7 -4.152 4.196 -2.016 1.00 0.00 O ATOM 106 CB GLU A 7 -2.739 6.196 -0.613 1.00 0.00 C ATOM 107 CG GLU A 7 -3.975 6.619 0.188 1.00 0.00 C ATOM 108 CD GLU A 7 -4.221 8.118 0.059 1.00 0.00 C ATOM 109 OE1 GLU A 7 -4.868 8.505 -0.938 1.00 0.00 O ATOM 110 OE2 GLU A 7 -3.754 8.852 0.957 1.00 0.00 O ATOM 111 H GLU A 7 -0.725 5.030 -1.631 1.00 0.00 H ATOM 112 HA GLU A 7 -2.445 4.517 0.658 1.00 0.00 H ATOM 113 HB2 GLU A 7 -1.891 6.776 -0.254 1.00 0.00 H ATOM 114 HB3 GLU A 7 -2.883 6.418 -1.672 1.00 0.00 H ATOM 115 HG2 GLU A 7 -4.854 6.082 -0.170 1.00 0.00 H ATOM 116 HG3 GLU A 7 -3.825 6.375 1.241 1.00 0.00 H ATOM 117 N GLY A 8 -3.506 2.534 -0.635 1.00 0.00 N ATOM 118 CA GLY A 8 -4.391 1.510 -1.162 1.00 0.00 C ATOM 119 C GLY A 8 -5.784 1.591 -0.533 1.00 0.00 C ATOM 120 O GLY A 8 -6.095 2.558 0.164 1.00 0.00 O ATOM 121 H GLY A 8 -2.909 2.283 0.144 1.00 0.00 H ATOM 122 HA2 GLY A 8 -4.468 1.610 -2.246 1.00 0.00 H ATOM 123 HA3 GLY A 8 -3.946 0.541 -0.930 1.00 0.00 H ATOM 124 N PRO A 9 -6.628 0.571 -0.768 1.00 0.00 N ATOM 125 CA PRO A 9 -7.977 0.469 -0.225 1.00 0.00 C ATOM 126 C PRO A 9 -8.030 0.675 1.291 1.00 0.00 C ATOM 127 O PRO A 9 -8.958 1.305 1.793 1.00 0.00 O ATOM 128 CB PRO A 9 -8.474 -0.927 -0.613 1.00 0.00 C ATOM 129 CG PRO A 9 -7.689 -1.234 -1.887 1.00 0.00 C ATOM 130 CD PRO A 9 -6.339 -0.571 -1.620 1.00 0.00 C ATOM 131 HA PRO A 9 -8.600 1.216 -0.718 1.00 0.00 H ATOM 132 HB2 PRO A 9 -8.199 -1.654 0.151 1.00 0.00 H ATOM 133 HB3 PRO A 9 -9.552 -0.949 -0.777 1.00 0.00 H ATOM 134 HG2 PRO A 9 -7.598 -2.305 -2.070 1.00 0.00 H ATOM 135 HG3 PRO A 9 -8.173 -0.744 -2.734 1.00 0.00 H ATOM 136 HD2 PRO A 9 -5.688 -1.263 -1.084 1.00 0.00 H ATOM 137 HD3 PRO A 9 -5.878 -0.278 -2.564 1.00 0.00 H ATOM 138 N TRP A 10 -7.030 0.148 2.009 1.00 0.00 N ATOM 139 CA TRP A 10 -6.942 0.202 3.462 1.00 0.00 C ATOM 140 C TRP A 10 -5.997 1.322 3.910 1.00 0.00 C ATOM 141 O TRP A 10 -5.333 1.196 4.938 1.00 0.00 O ATOM 142 CB TRP A 10 -6.469 -1.168 3.966 1.00 0.00 C ATOM 143 CG TRP A 10 -7.224 -2.335 3.411 1.00 0.00 C ATOM 144 CD1 TRP A 10 -8.395 -2.827 3.872 1.00 0.00 C ATOM 145 CD2 TRP A 10 -6.891 -3.134 2.243 1.00 0.00 C ATOM 146 NE1 TRP A 10 -8.807 -3.878 3.076 1.00 0.00 N ATOM 147 CE2 TRP A 10 -7.917 -4.101 2.043 1.00 0.00 C ATOM 148 CE3 TRP A 10 -5.824 -3.121 1.322 1.00 0.00 C ATOM 149 CZ2 TRP A 10 -7.886 -5.012 0.977 1.00 0.00 C ATOM 150 CZ3 TRP A 10 -5.785 -4.026 0.245 1.00 0.00 C ATOM 151 CH2 TRP A 10 -6.813 -4.969 0.071 1.00 0.00 C ATOM 152 H TRP A 10 -6.296 -0.346 1.522 1.00 0.00 H ATOM 153 HA TRP A 10 -7.926 0.392 3.892 1.00 0.00 H ATOM 154 HB2 TRP A 10 -5.423 -1.294 3.688 1.00 0.00 H ATOM 155 HB3 TRP A 10 -6.526 -1.204 5.050 1.00 0.00 H ATOM 156 HD1 TRP A 10 -8.936 -2.447 4.726 1.00 0.00 H ATOM 157 HE1 TRP A 10 -9.652 -4.416 3.205 1.00 0.00 H ATOM 158 HE3 TRP A 10 -5.036 -2.397 1.463 1.00 0.00 H ATOM 159 HZ2 TRP A 10 -8.679 -5.735 0.851 1.00 0.00 H ATOM 160 HZ3 TRP A 10 -4.959 -3.997 -0.451 1.00 0.00 H ATOM 161 HH2 TRP A 10 -6.778 -5.661 -0.758 1.00 0.00 H ATOM 162 N GLY A 11 -5.928 2.418 3.142 1.00 0.00 N ATOM 163 CA GLY A 11 -5.080 3.555 3.458 1.00 0.00 C ATOM 164 C GLY A 11 -3.634 3.279 3.058 1.00 0.00 C ATOM 165 O GLY A 11 -3.364 2.438 2.201 1.00 0.00 O ATOM 166 H GLY A 11 -6.466 2.463 2.286 1.00 0.00 H ATOM 167 HA2 GLY A 11 -5.425 4.430 2.909 1.00 0.00 H ATOM 168 HA3 GLY A 11 -5.138 3.774 4.525 1.00 0.00 H ATOM 169 N TRP A 12 -2.706 3.999 3.695 1.00 0.00 N ATOM 170 CA TRP A 12 -1.275 3.847 3.485 1.00 0.00 C ATOM 171 C TRP A 12 -0.797 2.481 3.976 1.00 0.00 C ATOM 172 O TRP A 12 -0.476 2.318 5.152 1.00 0.00 O ATOM 173 CB TRP A 12 -0.525 4.999 4.158 1.00 0.00 C ATOM 174 CG TRP A 12 -0.713 6.321 3.480 1.00 0.00 C ATOM 175 CD1 TRP A 12 -1.515 7.323 3.901 1.00 0.00 C ATOM 176 CD2 TRP A 12 -0.123 6.783 2.229 1.00 0.00 C ATOM 177 NE1 TRP A 12 -1.458 8.376 3.011 1.00 0.00 N ATOM 178 CE2 TRP A 12 -0.611 8.094 1.958 1.00 0.00 C ATOM 179 CE3 TRP A 12 0.773 6.223 1.292 1.00 0.00 C ATOM 180 CZ2 TRP A 12 -0.228 8.816 0.817 1.00 0.00 C ATOM 181 CZ3 TRP A 12 1.161 6.936 0.142 1.00 0.00 C ATOM 182 CH2 TRP A 12 0.664 8.230 -0.096 1.00 0.00 C ATOM 183 H TRP A 12 -3.015 4.681 4.371 1.00 0.00 H ATOM 184 HA TRP A 12 -1.064 3.921 2.420 1.00 0.00 H ATOM 185 HB2 TRP A 12 -0.830 5.075 5.202 1.00 0.00 H ATOM 186 HB3 TRP A 12 0.542 4.776 4.134 1.00 0.00 H ATOM 187 HD1 TRP A 12 -2.119 7.303 4.797 1.00 0.00 H ATOM 188 HE1 TRP A 12 -1.969 9.243 3.091 1.00 0.00 H ATOM 189 HE3 TRP A 12 1.167 5.232 1.461 1.00 0.00 H ATOM 190 HZ2 TRP A 12 -0.619 9.807 0.641 1.00 0.00 H ATOM 191 HZ3 TRP A 12 1.845 6.489 -0.564 1.00 0.00 H ATOM 192 HH2 TRP A 12 0.967 8.772 -0.980 1.00 0.00 H ATOM 193 N VAL A 13 -0.738 1.514 3.053 1.00 0.00 N ATOM 194 CA VAL A 13 -0.203 0.182 3.282 1.00 0.00 C ATOM 195 C VAL A 13 1.222 0.155 2.731 1.00 0.00 C ATOM 196 O VAL A 13 1.469 0.617 1.616 1.00 0.00 O ATOM 197 CB VAL A 13 -1.109 -0.900 2.661 1.00 0.00 C ATOM 198 CG1 VAL A 13 -2.443 -0.970 3.415 1.00 0.00 C ATOM 199 CG2 VAL A 13 -1.391 -0.705 1.163 1.00 0.00 C ATOM 200 H VAL A 13 -1.026 1.742 2.110 1.00 0.00 H ATOM 201 HA VAL A 13 -0.157 -0.016 4.354 1.00 0.00 H ATOM 202 HB VAL A 13 -0.610 -1.862 2.785 1.00 0.00 H ATOM 203 HG11 VAL A 13 -3.001 -0.043 3.292 1.00 0.00 H ATOM 204 HG12 VAL A 13 -3.037 -1.797 3.026 1.00 0.00 H ATOM 205 HG13 VAL A 13 -2.263 -1.140 4.476 1.00 0.00 H ATOM 206 HG21 VAL A 13 -2.002 -1.533 0.803 1.00 0.00 H ATOM 207 HG22 VAL A 13 -1.933 0.224 0.990 1.00 0.00 H ATOM 208 HG23 VAL A 13 -0.463 -0.696 0.594 1.00 0.00 H ATOM 209 N CYS A 14 2.162 -0.359 3.532 1.00 0.00 N ATOM 210 CA CYS A 14 3.586 -0.265 3.252 1.00 0.00 C ATOM 211 C CYS A 14 4.112 -1.555 2.636 1.00 0.00 C ATOM 212 O CYS A 14 3.655 -2.647 2.970 1.00 0.00 O ATOM 213 CB CYS A 14 4.347 0.136 4.513 1.00 0.00 C ATOM 214 SG CYS A 14 4.024 1.841 5.043 1.00 0.00 S ATOM 215 H CYS A 14 1.886 -0.760 4.416 1.00 0.00 H ATOM 216 HA CYS A 14 3.756 0.528 2.538 1.00 0.00 H ATOM 217 HB2 CYS A 14 4.086 -0.544 5.323 1.00 0.00 H ATOM 218 HB3 CYS A 14 5.418 0.049 4.325 1.00 0.00 H ATOM 219 N MET A 15 5.066 -1.397 1.713 1.00 0.00 N ATOM 220 CA MET A 15 5.579 -2.459 0.863 1.00 0.00 C ATOM 221 C MET A 15 6.888 -3.023 1.424 1.00 0.00 C ATOM 222 O MET A 15 7.533 -3.793 0.681 1.00 0.00 O ATOM 223 CB MET A 15 5.773 -1.914 -0.562 1.00 0.00 C ATOM 224 CG MET A 15 4.582 -1.096 -1.087 1.00 0.00 C ATOM 225 SD MET A 15 2.931 -1.826 -0.905 1.00 0.00 S ATOM 226 CE MET A 15 3.111 -3.295 -1.948 1.00 0.00 C ATOM 227 OXT MET A 15 7.229 -2.685 2.580 1.00 0.00 O ATOM 228 H MET A 15 5.422 -0.465 1.544 1.00 0.00 H ATOM 229 HA MET A 15 4.857 -3.276 0.817 1.00 0.00 H ATOM 230 HB2 MET A 15 6.648 -1.266 -0.572 1.00 0.00 H ATOM 231 HB3 MET A 15 5.957 -2.747 -1.239 1.00 0.00 H ATOM 232 HG2 MET A 15 4.565 -0.135 -0.574 1.00 0.00 H ATOM 233 HG3 MET A 15 4.750 -0.895 -2.145 1.00 0.00 H ATOM 234 HE1 MET A 15 3.452 -3.002 -2.941 1.00 0.00 H ATOM 235 HE2 MET A 15 3.830 -3.979 -1.500 1.00 0.00 H ATOM 236 HE3 MET A 15 2.146 -3.794 -2.031 1.00 0.00 H TER 237 MET A 15