HETATM 1 C ACE A 0 10.837 -4.120 0.368 1.00 0.00 C HETATM 2 O ACE A 0 9.920 -3.970 1.173 1.00 0.00 O HETATM 3 CH3 ACE A 0 10.558 -4.099 -1.130 1.00 0.00 C HETATM 4 H1 ACE A 0 11.117 -3.285 -1.594 1.00 0.00 H HETATM 5 H2 ACE A 0 10.863 -5.047 -1.573 1.00 0.00 H HETATM 6 H3 ACE A 0 9.493 -3.947 -1.310 1.00 0.00 H ATOM 7 N ASN A 1 12.110 -4.305 0.735 1.00 0.00 N ATOM 8 CA ASN A 1 12.556 -4.305 2.123 1.00 0.00 C ATOM 9 C ASN A 1 12.375 -2.919 2.739 1.00 0.00 C ATOM 10 O ASN A 1 11.862 -2.789 3.849 1.00 0.00 O ATOM 11 CB ASN A 1 14.022 -4.750 2.204 1.00 0.00 C ATOM 12 CG ASN A 1 14.215 -6.165 1.663 1.00 0.00 C ATOM 13 OD1 ASN A 1 14.691 -6.343 0.545 1.00 0.00 O ATOM 14 ND2 ASN A 1 13.845 -7.175 2.453 1.00 0.00 N ATOM 15 H ASN A 1 12.808 -4.438 0.016 1.00 0.00 H ATOM 16 HA ASN A 1 11.947 -5.009 2.687 1.00 0.00 H ATOM 17 HB2 ASN A 1 14.643 -4.062 1.629 1.00 0.00 H ATOM 18 HB3 ASN A 1 14.350 -4.721 3.244 1.00 0.00 H ATOM 19 HD21 ASN A 1 13.454 -6.988 3.365 1.00 0.00 H ATOM 20 HD22 ASN A 1 13.956 -8.125 2.131 1.00 0.00 H ATOM 21 N LEU A 2 12.796 -1.889 1.999 1.00 0.00 N ATOM 22 CA LEU A 2 12.598 -0.492 2.357 1.00 0.00 C ATOM 23 C LEU A 2 11.096 -0.167 2.370 1.00 0.00 C ATOM 24 O LEU A 2 10.340 -0.800 1.632 1.00 0.00 O ATOM 25 CB LEU A 2 13.402 0.395 1.389 1.00 0.00 C ATOM 26 CG LEU A 2 12.920 0.346 -0.075 1.00 0.00 C ATOM 27 CD1 LEU A 2 11.985 1.519 -0.395 1.00 0.00 C ATOM 28 CD2 LEU A 2 14.124 0.411 -1.022 1.00 0.00 C ATOM 29 H LEU A 2 13.211 -2.098 1.104 1.00 0.00 H ATOM 30 HA LEU A 2 13.015 -0.359 3.355 1.00 0.00 H ATOM 31 HB2 LEU A 2 13.394 1.428 1.734 1.00 0.00 H ATOM 32 HB3 LEU A 2 14.435 0.048 1.434 1.00 0.00 H ATOM 33 HG LEU A 2 12.394 -0.589 -0.272 1.00 0.00 H ATOM 34 HD11 LEU A 2 11.119 1.512 0.263 1.00 0.00 H ATOM 35 HD12 LEU A 2 12.513 2.465 -0.269 1.00 0.00 H ATOM 36 HD13 LEU A 2 11.641 1.442 -1.426 1.00 0.00 H ATOM 37 HD21 LEU A 2 13.781 0.395 -2.057 1.00 0.00 H ATOM 38 HD22 LEU A 2 14.690 1.326 -0.846 1.00 0.00 H ATOM 39 HD23 LEU A 2 14.772 -0.450 -0.857 1.00 0.00 H ATOM 40 N PRO A 3 10.644 0.793 3.198 1.00 0.00 N ATOM 41 CA PRO A 3 9.233 1.116 3.369 1.00 0.00 C ATOM 42 C PRO A 3 8.691 1.905 2.171 1.00 0.00 C ATOM 43 O PRO A 3 8.443 3.106 2.261 1.00 0.00 O ATOM 44 CB PRO A 3 9.161 1.900 4.684 1.00 0.00 C ATOM 45 CG PRO A 3 10.511 2.612 4.727 1.00 0.00 C ATOM 46 CD PRO A 3 11.453 1.568 4.126 1.00 0.00 C ATOM 47 HA PRO A 3 8.642 0.208 3.483 1.00 0.00 H ATOM 48 HB2 PRO A 3 8.317 2.589 4.740 1.00 0.00 H ATOM 49 HB3 PRO A 3 9.111 1.194 5.515 1.00 0.00 H ATOM 50 HG2 PRO A 3 10.481 3.493 4.084 1.00 0.00 H ATOM 51 HG3 PRO A 3 10.799 2.894 5.740 1.00 0.00 H ATOM 52 HD2 PRO A 3 12.290 2.062 3.634 1.00 0.00 H ATOM 53 HD3 PRO A 3 11.815 0.914 4.920 1.00 0.00 H ATOM 54 N ARG A 4 8.489 1.210 1.046 1.00 0.00 N ATOM 55 CA ARG A 4 7.829 1.746 -0.133 1.00 0.00 C ATOM 56 C ARG A 4 6.335 1.798 0.170 1.00 0.00 C ATOM 57 O ARG A 4 5.678 0.759 0.168 1.00 0.00 O ATOM 58 CB ARG A 4 8.137 0.853 -1.343 1.00 0.00 C ATOM 59 CG ARG A 4 7.389 1.318 -2.598 1.00 0.00 C ATOM 60 CD ARG A 4 7.713 0.400 -3.780 1.00 0.00 C ATOM 61 NE ARG A 4 6.843 0.690 -4.927 1.00 0.00 N ATOM 62 CZ ARG A 4 5.575 0.266 -5.064 1.00 0.00 C ATOM 63 NH1 ARG A 4 4.990 -0.481 -4.117 1.00 0.00 N ATOM 64 NH2 ARG A 4 4.884 0.595 -6.164 1.00 0.00 N ATOM 65 H ARG A 4 8.757 0.234 1.033 1.00 0.00 H ATOM 66 HA ARG A 4 8.206 2.749 -0.344 1.00 0.00 H ATOM 67 HB2 ARG A 4 9.210 0.877 -1.539 1.00 0.00 H ATOM 68 HB3 ARG A 4 7.848 -0.174 -1.120 1.00 0.00 H ATOM 69 HG2 ARG A 4 6.315 1.289 -2.418 1.00 0.00 H ATOM 70 HG3 ARG A 4 7.677 2.341 -2.844 1.00 0.00 H ATOM 71 HD2 ARG A 4 8.750 0.558 -4.078 1.00 0.00 H ATOM 72 HD3 ARG A 4 7.600 -0.645 -3.488 1.00 0.00 H ATOM 73 HE ARG A 4 7.243 1.253 -5.664 1.00 0.00 H ATOM 74 HH11 ARG A 4 5.497 -0.722 -3.278 1.00 0.00 H ATOM 75 HH12 ARG A 4 4.039 -0.798 -4.236 1.00 0.00 H ATOM 76 HH21 ARG A 4 5.315 1.158 -6.883 1.00 0.00 H ATOM 77 HH22 ARG A 4 3.931 0.281 -6.277 1.00 0.00 H ATOM 78 N CYS A 5 5.809 2.999 0.433 1.00 0.00 N ATOM 79 CA CYS A 5 4.433 3.192 0.865 1.00 0.00 C ATOM 80 C CYS A 5 3.554 3.603 -0.309 1.00 0.00 C ATOM 81 O CYS A 5 3.966 4.381 -1.167 1.00 0.00 O ATOM 82 CB CYS A 5 4.369 4.218 1.995 1.00 0.00 C ATOM 83 SG CYS A 5 5.236 3.742 3.515 1.00 0.00 S ATOM 84 H CYS A 5 6.407 3.812 0.400 1.00 0.00 H ATOM 85 HA CYS A 5 4.039 2.270 1.272 1.00 0.00 H ATOM 86 HB2 CYS A 5 4.769 5.165 1.637 1.00 0.00 H ATOM 87 HB3 CYS A 5 3.325 4.376 2.263 1.00 0.00 H ATOM 88 N THR A 6 2.339 3.047 -0.330 1.00 0.00 N ATOM 89 CA THR A 6 1.345 3.223 -1.375 1.00 0.00 C ATOM 90 C THR A 6 -0.018 3.424 -0.714 1.00 0.00 C ATOM 91 O THR A 6 -0.303 2.798 0.307 1.00 0.00 O ATOM 92 CB THR A 6 1.330 1.989 -2.291 1.00 0.00 C ATOM 93 OG1 THR A 6 1.052 0.817 -1.548 1.00 0.00 O ATOM 94 CG2 THR A 6 2.659 1.810 -3.032 1.00 0.00 C ATOM 95 H THR A 6 2.087 2.429 0.430 1.00 0.00 H ATOM 96 HA THR A 6 1.578 4.107 -1.972 1.00 0.00 H ATOM 97 HB THR A 6 0.543 2.119 -3.035 1.00 0.00 H ATOM 98 HG1 THR A 6 1.633 0.784 -0.782 1.00 0.00 H ATOM 99 HG21 THR A 6 2.559 0.996 -3.750 1.00 0.00 H ATOM 100 HG22 THR A 6 2.912 2.724 -3.569 1.00 0.00 H ATOM 101 HG23 THR A 6 3.461 1.567 -2.334 1.00 0.00 H ATOM 102 N GLU A 7 -0.854 4.297 -1.287 1.00 0.00 N ATOM 103 CA GLU A 7 -2.182 4.578 -0.765 1.00 0.00 C ATOM 104 C GLU A 7 -3.129 3.447 -1.166 1.00 0.00 C ATOM 105 O GLU A 7 -3.696 3.466 -2.258 1.00 0.00 O ATOM 106 CB GLU A 7 -2.658 5.949 -1.258 1.00 0.00 C ATOM 107 CG GLU A 7 -3.931 6.376 -0.517 1.00 0.00 C ATOM 108 CD GLU A 7 -4.299 7.818 -0.844 1.00 0.00 C ATOM 109 OE1 GLU A 7 -5.020 8.010 -1.847 1.00 0.00 O ATOM 110 OE2 GLU A 7 -3.850 8.706 -0.086 1.00 0.00 O ATOM 111 H GLU A 7 -0.563 4.782 -2.124 1.00 0.00 H ATOM 112 HA GLU A 7 -2.126 4.636 0.321 1.00 0.00 H ATOM 113 HB2 GLU A 7 -1.878 6.682 -1.056 1.00 0.00 H ATOM 114 HB3 GLU A 7 -2.841 5.930 -2.333 1.00 0.00 H ATOM 115 HG2 GLU A 7 -4.759 5.722 -0.797 1.00 0.00 H ATOM 116 HG3 GLU A 7 -3.773 6.293 0.559 1.00 0.00 H ATOM 117 N GLY A 8 -3.294 2.460 -0.280 1.00 0.00 N ATOM 118 CA GLY A 8 -4.146 1.309 -0.509 1.00 0.00 C ATOM 119 C GLY A 8 -5.620 1.642 -0.260 1.00 0.00 C ATOM 120 O GLY A 8 -5.951 2.759 0.140 1.00 0.00 O ATOM 121 H GLY A 8 -2.809 2.499 0.604 1.00 0.00 H ATOM 122 HA2 GLY A 8 -4.010 0.953 -1.531 1.00 0.00 H ATOM 123 HA3 GLY A 8 -3.837 0.523 0.180 1.00 0.00 H ATOM 124 N PRO A 9 -6.514 0.670 -0.496 1.00 0.00 N ATOM 125 CA PRO A 9 -7.950 0.836 -0.353 1.00 0.00 C ATOM 126 C PRO A 9 -8.334 1.042 1.113 1.00 0.00 C ATOM 127 O PRO A 9 -9.178 1.885 1.411 1.00 0.00 O ATOM 128 CB PRO A 9 -8.576 -0.425 -0.951 1.00 0.00 C ATOM 129 CG PRO A 9 -7.478 -1.477 -0.850 1.00 0.00 C ATOM 130 CD PRO A 9 -6.181 -0.675 -0.927 1.00 0.00 C ATOM 131 HA PRO A 9 -8.283 1.693 -0.938 1.00 0.00 H ATOM 132 HB2 PRO A 9 -9.472 -0.739 -0.419 1.00 0.00 H ATOM 133 HB3 PRO A 9 -8.804 -0.249 -2.003 1.00 0.00 H ATOM 134 HG2 PRO A 9 -7.542 -1.967 0.121 1.00 0.00 H ATOM 135 HG3 PRO A 9 -7.553 -2.212 -1.649 1.00 0.00 H ATOM 136 HD2 PRO A 9 -5.447 -1.135 -0.268 1.00 0.00 H ATOM 137 HD3 PRO A 9 -5.805 -0.642 -1.949 1.00 0.00 H ATOM 138 N TRP A 10 -7.700 0.291 2.023 1.00 0.00 N ATOM 139 CA TRP A 10 -7.913 0.402 3.459 1.00 0.00 C ATOM 140 C TRP A 10 -6.788 1.242 4.068 1.00 0.00 C ATOM 141 O TRP A 10 -6.115 0.814 5.004 1.00 0.00 O ATOM 142 CB TRP A 10 -7.994 -1.003 4.066 1.00 0.00 C ATOM 143 CG TRP A 10 -9.006 -1.904 3.426 1.00 0.00 C ATOM 144 CD1 TRP A 10 -10.345 -1.728 3.458 1.00 0.00 C ATOM 145 CD2 TRP A 10 -8.782 -3.093 2.613 1.00 0.00 C ATOM 146 NE1 TRP A 10 -10.968 -2.719 2.729 1.00 0.00 N ATOM 147 CE2 TRP A 10 -10.046 -3.587 2.179 1.00 0.00 C ATOM 148 CE3 TRP A 10 -7.636 -3.801 2.190 1.00 0.00 C ATOM 149 CZ2 TRP A 10 -10.168 -4.725 1.366 1.00 0.00 C ATOM 150 CZ3 TRP A 10 -7.747 -4.943 1.374 1.00 0.00 C ATOM 151 CH2 TRP A 10 -9.009 -5.405 0.961 1.00 0.00 C ATOM 152 H TRP A 10 -7.018 -0.382 1.707 1.00 0.00 H ATOM 153 HA TRP A 10 -8.861 0.899 3.668 1.00 0.00 H ATOM 154 HB2 TRP A 10 -7.016 -1.480 3.981 1.00 0.00 H ATOM 155 HB3 TRP A 10 -8.236 -0.916 5.126 1.00 0.00 H ATOM 156 HD1 TRP A 10 -10.853 -0.921 3.967 1.00 0.00 H ATOM 157 HE1 TRP A 10 -11.965 -2.812 2.595 1.00 0.00 H ATOM 158 HE3 TRP A 10 -6.660 -3.454 2.494 1.00 0.00 H ATOM 159 HZ2 TRP A 10 -11.143 -5.072 1.055 1.00 0.00 H ATOM 160 HZ3 TRP A 10 -6.855 -5.467 1.061 1.00 0.00 H ATOM 161 HH2 TRP A 10 -9.086 -6.281 0.334 1.00 0.00 H ATOM 162 N GLY A 11 -6.589 2.446 3.518 1.00 0.00 N ATOM 163 CA GLY A 11 -5.553 3.369 3.951 1.00 0.00 C ATOM 164 C GLY A 11 -4.188 2.994 3.376 1.00 0.00 C ATOM 165 O GLY A 11 -4.066 2.062 2.581 1.00 0.00 O ATOM 166 H GLY A 11 -7.172 2.728 2.742 1.00 0.00 H ATOM 167 HA2 GLY A 11 -5.815 4.369 3.604 1.00 0.00 H ATOM 168 HA3 GLY A 11 -5.499 3.383 5.041 1.00 0.00 H ATOM 169 N TRP A 12 -3.154 3.736 3.787 1.00 0.00 N ATOM 170 CA TRP A 12 -1.789 3.522 3.334 1.00 0.00 C ATOM 171 C TRP A 12 -1.247 2.180 3.823 1.00 0.00 C ATOM 172 O TRP A 12 -1.516 1.765 4.950 1.00 0.00 O ATOM 173 CB TRP A 12 -0.897 4.682 3.783 1.00 0.00 C ATOM 174 CG TRP A 12 -1.102 5.956 3.026 1.00 0.00 C ATOM 175 CD1 TRP A 12 -2.080 6.860 3.252 1.00 0.00 C ATOM 176 CD2 TRP A 12 -0.333 6.476 1.901 1.00 0.00 C ATOM 177 NE1 TRP A 12 -1.970 7.903 2.357 1.00 0.00 N ATOM 178 CE2 TRP A 12 -0.904 7.719 1.500 1.00 0.00 C ATOM 179 CE3 TRP A 12 0.792 6.024 1.177 1.00 0.00 C ATOM 180 CZ2 TRP A 12 -0.386 8.475 0.439 1.00 0.00 C ATOM 181 CZ3 TRP A 12 1.316 6.770 0.105 1.00 0.00 C ATOM 182 CH2 TRP A 12 0.730 7.994 -0.264 1.00 0.00 C ATOM 183 H TRP A 12 -3.319 4.478 4.451 1.00 0.00 H ATOM 184 HA TRP A 12 -1.791 3.513 2.247 1.00 0.00 H ATOM 185 HB2 TRP A 12 -1.052 4.872 4.846 1.00 0.00 H ATOM 186 HB3 TRP A 12 0.144 4.391 3.644 1.00 0.00 H ATOM 187 HD1 TRP A 12 -2.837 6.780 4.018 1.00 0.00 H ATOM 188 HE1 TRP A 12 -2.582 8.704 2.314 1.00 0.00 H ATOM 189 HE3 TRP A 12 1.252 5.087 1.450 1.00 0.00 H ATOM 190 HZ2 TRP A 12 -0.844 9.413 0.161 1.00 0.00 H ATOM 191 HZ3 TRP A 12 2.175 6.403 -0.436 1.00 0.00 H ATOM 192 HH2 TRP A 12 1.138 8.562 -1.087 1.00 0.00 H ATOM 193 N VAL A 13 -0.478 1.515 2.954 1.00 0.00 N ATOM 194 CA VAL A 13 0.173 0.240 3.208 1.00 0.00 C ATOM 195 C VAL A 13 1.574 0.303 2.601 1.00 0.00 C ATOM 196 O VAL A 13 1.745 0.850 1.510 1.00 0.00 O ATOM 197 CB VAL A 13 -0.684 -0.910 2.645 1.00 0.00 C ATOM 198 CG1 VAL A 13 -0.910 -0.810 1.129 1.00 0.00 C ATOM 199 CG2 VAL A 13 -0.065 -2.272 2.984 1.00 0.00 C ATOM 200 H VAL A 13 -0.309 1.931 2.047 1.00 0.00 H ATOM 201 HA VAL A 13 0.272 0.099 4.286 1.00 0.00 H ATOM 202 HB VAL A 13 -1.660 -0.862 3.130 1.00 0.00 H ATOM 203 HG11 VAL A 13 -1.594 -1.599 0.814 1.00 0.00 H ATOM 204 HG12 VAL A 13 -1.350 0.152 0.869 1.00 0.00 H ATOM 205 HG13 VAL A 13 0.030 -0.932 0.591 1.00 0.00 H ATOM 206 HG21 VAL A 13 0.093 -2.349 4.060 1.00 0.00 H ATOM 207 HG22 VAL A 13 -0.742 -3.067 2.672 1.00 0.00 H ATOM 208 HG23 VAL A 13 0.888 -2.400 2.471 1.00 0.00 H ATOM 209 N CYS A 14 2.570 -0.235 3.318 1.00 0.00 N ATOM 210 CA CYS A 14 3.974 -0.152 2.938 1.00 0.00 C ATOM 211 C CYS A 14 4.590 -1.541 2.823 1.00 0.00 C ATOM 212 O CYS A 14 4.244 -2.443 3.585 1.00 0.00 O ATOM 213 CB CYS A 14 4.753 0.713 3.938 1.00 0.00 C ATOM 214 SG CYS A 14 4.023 2.320 4.371 1.00 0.00 S ATOM 215 H CYS A 14 2.354 -0.698 4.189 1.00 0.00 H ATOM 216 HA CYS A 14 4.050 0.298 1.958 1.00 0.00 H ATOM 217 HB2 CYS A 14 4.842 0.152 4.869 1.00 0.00 H ATOM 218 HB3 CYS A 14 5.759 0.880 3.552 1.00 0.00 H ATOM 219 N MET A 15 5.507 -1.700 1.862 1.00 0.00 N ATOM 220 CA MET A 15 6.204 -2.952 1.612 1.00 0.00 C ATOM 221 C MET A 15 7.244 -3.205 2.706 1.00 0.00 C ATOM 222 O MET A 15 7.282 -4.353 3.201 1.00 0.00 O ATOM 223 CB MET A 15 6.866 -2.923 0.226 1.00 0.00 C ATOM 224 CG MET A 15 5.874 -2.661 -0.915 1.00 0.00 C ATOM 225 SD MET A 15 4.510 -3.849 -1.042 1.00 0.00 S ATOM 226 CE MET A 15 3.620 -3.147 -2.453 1.00 0.00 C ATOM 227 OXT MET A 15 7.983 -2.250 3.030 1.00 0.00 O ATOM 228 H MET A 15 5.731 -0.908 1.272 1.00 0.00 H ATOM 229 HA MET A 15 5.481 -3.768 1.633 1.00 0.00 H ATOM 230 HB2 MET A 15 7.636 -2.151 0.211 1.00 0.00 H ATOM 231 HB3 MET A 15 7.341 -3.888 0.051 1.00 0.00 H ATOM 232 HG2 MET A 15 5.446 -1.666 -0.806 1.00 0.00 H ATOM 233 HG3 MET A 15 6.428 -2.686 -1.853 1.00 0.00 H ATOM 234 HE1 MET A 15 4.265 -3.154 -3.331 1.00 0.00 H ATOM 235 HE2 MET A 15 2.734 -3.749 -2.652 1.00 0.00 H ATOM 236 HE3 MET A 15 3.318 -2.125 -2.224 1.00 0.00 H TER 237 MET A 15