HETATM 1 C ACE A 0 5.619 -4.115 5.168 1.00 0.00 C HETATM 2 O ACE A 0 5.368 -3.276 6.032 1.00 0.00 O HETATM 3 CH3 ACE A 0 4.518 -5.014 4.621 1.00 0.00 C HETATM 4 H1 ACE A 0 4.554 -5.024 3.532 1.00 0.00 H HETATM 5 H2 ACE A 0 4.659 -6.028 4.995 1.00 0.00 H HETATM 6 H3 ACE A 0 3.544 -4.645 4.944 1.00 0.00 H ATOM 7 N ASN A 1 6.844 -4.296 4.659 1.00 0.00 N ATOM 8 CA ASN A 1 8.015 -3.541 5.089 1.00 0.00 C ATOM 9 C ASN A 1 7.944 -2.105 4.564 1.00 0.00 C ATOM 10 O ASN A 1 7.071 -1.786 3.759 1.00 0.00 O ATOM 11 CB ASN A 1 9.288 -4.252 4.609 1.00 0.00 C ATOM 12 CG ASN A 1 9.358 -5.694 5.108 1.00 0.00 C ATOM 13 OD1 ASN A 1 9.144 -6.629 4.340 1.00 0.00 O ATOM 14 ND2 ASN A 1 9.658 -5.879 6.395 1.00 0.00 N ATOM 15 H ASN A 1 6.968 -4.980 3.925 1.00 0.00 H ATOM 16 HA ASN A 1 8.031 -3.510 6.180 1.00 0.00 H ATOM 17 HB2 ASN A 1 9.309 -4.252 3.518 1.00 0.00 H ATOM 18 HB3 ASN A 1 10.165 -3.720 4.976 1.00 0.00 H ATOM 19 HD21 ASN A 1 9.826 -5.086 6.997 1.00 0.00 H ATOM 20 HD22 ASN A 1 9.714 -6.817 6.762 1.00 0.00 H ATOM 21 N LEU A 2 8.858 -1.235 5.018 1.00 0.00 N ATOM 22 CA LEU A 2 8.835 0.188 4.697 1.00 0.00 C ATOM 23 C LEU A 2 10.022 0.685 3.844 1.00 0.00 C ATOM 24 O LEU A 2 10.515 1.780 4.111 1.00 0.00 O ATOM 25 CB LEU A 2 8.693 1.005 5.996 1.00 0.00 C ATOM 26 CG LEU A 2 7.454 0.632 6.834 1.00 0.00 C ATOM 27 CD1 LEU A 2 7.776 -0.405 7.919 1.00 0.00 C ATOM 28 CD2 LEU A 2 6.891 1.884 7.517 1.00 0.00 C ATOM 29 H LEU A 2 9.566 -1.558 5.661 1.00 0.00 H ATOM 30 HA LEU A 2 7.950 0.421 4.105 1.00 0.00 H ATOM 31 HB2 LEU A 2 9.593 0.902 6.604 1.00 0.00 H ATOM 32 HB3 LEU A 2 8.596 2.053 5.710 1.00 0.00 H ATOM 33 HG LEU A 2 6.677 0.234 6.181 1.00 0.00 H ATOM 34 HD11 LEU A 2 8.527 -0.009 8.602 1.00 0.00 H ATOM 35 HD12 LEU A 2 6.872 -0.634 8.483 1.00 0.00 H ATOM 36 HD13 LEU A 2 8.149 -1.330 7.483 1.00 0.00 H ATOM 37 HD21 LEU A 2 6.594 2.618 6.767 1.00 0.00 H ATOM 38 HD22 LEU A 2 6.014 1.620 8.109 1.00 0.00 H ATOM 39 HD23 LEU A 2 7.644 2.324 8.171 1.00 0.00 H ATOM 40 N PRO A 3 10.478 -0.027 2.791 1.00 0.00 N ATOM 41 CA PRO A 3 11.175 0.601 1.672 1.00 0.00 C ATOM 42 C PRO A 3 10.389 1.808 1.153 1.00 0.00 C ATOM 43 O PRO A 3 10.955 2.879 0.946 1.00 0.00 O ATOM 44 CB PRO A 3 11.307 -0.479 0.593 1.00 0.00 C ATOM 45 CG PRO A 3 11.301 -1.772 1.400 1.00 0.00 C ATOM 46 CD PRO A 3 10.342 -1.451 2.545 1.00 0.00 C ATOM 47 HA PRO A 3 12.169 0.907 2.003 1.00 0.00 H ATOM 48 HB2 PRO A 3 10.436 -0.478 -0.065 1.00 0.00 H ATOM 49 HB3 PRO A 3 12.218 -0.364 0.005 1.00 0.00 H ATOM 50 HG2 PRO A 3 10.972 -2.629 0.812 1.00 0.00 H ATOM 51 HG3 PRO A 3 12.300 -1.949 1.802 1.00 0.00 H ATOM 52 HD2 PRO A 3 9.323 -1.675 2.244 1.00 0.00 H ATOM 53 HD3 PRO A 3 10.640 -2.039 3.410 1.00 0.00 H ATOM 54 N ARG A 4 9.076 1.622 0.970 1.00 0.00 N ATOM 55 CA ARG A 4 8.128 2.684 0.684 1.00 0.00 C ATOM 56 C ARG A 4 6.732 2.257 1.139 1.00 0.00 C ATOM 57 O ARG A 4 6.545 1.138 1.622 1.00 0.00 O ATOM 58 CB ARG A 4 8.152 3.042 -0.806 1.00 0.00 C ATOM 59 CG ARG A 4 7.668 1.895 -1.707 1.00 0.00 C ATOM 60 CD ARG A 4 7.185 2.451 -3.047 1.00 0.00 C ATOM 61 NE ARG A 4 5.954 3.239 -2.883 1.00 0.00 N ATOM 62 CZ ARG A 4 5.317 3.883 -3.874 1.00 0.00 C ATOM 63 NH1 ARG A 4 5.745 3.789 -5.141 1.00 0.00 N ATOM 64 NH2 ARG A 4 4.244 4.630 -3.588 1.00 0.00 N ATOM 65 H ARG A 4 8.685 0.703 1.131 1.00 0.00 H ATOM 66 HA ARG A 4 8.409 3.575 1.243 1.00 0.00 H ATOM 67 HB2 ARG A 4 7.519 3.919 -0.945 1.00 0.00 H ATOM 68 HB3 ARG A 4 9.166 3.320 -1.099 1.00 0.00 H ATOM 69 HG2 ARG A 4 8.493 1.200 -1.872 1.00 0.00 H ATOM 70 HG3 ARG A 4 6.840 1.345 -1.260 1.00 0.00 H ATOM 71 HD2 ARG A 4 7.973 3.079 -3.464 1.00 0.00 H ATOM 72 HD3 ARG A 4 6.990 1.617 -3.721 1.00 0.00 H ATOM 73 HE ARG A 4 5.582 3.324 -1.946 1.00 0.00 H ATOM 74 HH11 ARG A 4 6.555 3.227 -5.359 1.00 0.00 H ATOM 75 HH12 ARG A 4 5.260 4.279 -5.879 1.00 0.00 H ATOM 76 HH21 ARG A 4 3.935 4.713 -2.627 1.00 0.00 H ATOM 77 HH22 ARG A 4 3.754 5.124 -4.320 1.00 0.00 H ATOM 78 N CYS A 5 5.750 3.148 0.958 1.00 0.00 N ATOM 79 CA CYS A 5 4.342 2.846 1.155 1.00 0.00 C ATOM 80 C CYS A 5 3.529 3.486 0.032 1.00 0.00 C ATOM 81 O CYS A 5 4.032 4.352 -0.684 1.00 0.00 O ATOM 82 CB CYS A 5 3.871 3.303 2.548 1.00 0.00 C ATOM 83 SG CYS A 5 4.934 2.845 3.956 1.00 0.00 S ATOM 84 H CYS A 5 5.974 4.054 0.573 1.00 0.00 H ATOM 85 HA CYS A 5 4.204 1.776 1.034 1.00 0.00 H ATOM 86 HB2 CYS A 5 3.818 4.392 2.541 1.00 0.00 H ATOM 87 HB3 CYS A 5 2.866 2.923 2.729 1.00 0.00 H ATOM 88 N THR A 6 2.280 3.038 -0.131 1.00 0.00 N ATOM 89 CA THR A 6 1.394 3.466 -1.203 1.00 0.00 C ATOM 90 C THR A 6 -0.045 3.521 -0.696 1.00 0.00 C ATOM 91 O THR A 6 -0.447 2.713 0.141 1.00 0.00 O ATOM 92 CB THR A 6 1.548 2.535 -2.417 1.00 0.00 C ATOM 93 OG1 THR A 6 0.762 3.008 -3.490 1.00 0.00 O ATOM 94 CG2 THR A 6 1.165 1.080 -2.120 1.00 0.00 C ATOM 95 H THR A 6 1.924 2.333 0.501 1.00 0.00 H ATOM 96 HA THR A 6 1.675 4.471 -1.520 1.00 0.00 H ATOM 97 HB THR A 6 2.590 2.554 -2.735 1.00 0.00 H ATOM 98 HG1 THR A 6 1.078 3.878 -3.745 1.00 0.00 H ATOM 99 HG21 THR A 6 1.344 0.476 -3.010 1.00 0.00 H ATOM 100 HG22 THR A 6 1.772 0.685 -1.305 1.00 0.00 H ATOM 101 HG23 THR A 6 0.111 1.006 -1.856 1.00 0.00 H ATOM 102 N GLU A 7 -0.816 4.484 -1.213 1.00 0.00 N ATOM 103 CA GLU A 7 -2.225 4.642 -0.896 1.00 0.00 C ATOM 104 C GLU A 7 -3.002 3.476 -1.511 1.00 0.00 C ATOM 105 O GLU A 7 -2.900 3.239 -2.714 1.00 0.00 O ATOM 106 CB GLU A 7 -2.714 5.997 -1.429 1.00 0.00 C ATOM 107 CG GLU A 7 -4.191 6.271 -1.116 1.00 0.00 C ATOM 108 CD GLU A 7 -4.464 6.330 0.385 1.00 0.00 C ATOM 109 OE1 GLU A 7 -4.306 7.434 0.950 1.00 0.00 O ATOM 110 OE2 GLU A 7 -4.826 5.272 0.941 1.00 0.00 O ATOM 111 H GLU A 7 -0.412 5.101 -1.902 1.00 0.00 H ATOM 112 HA GLU A 7 -2.333 4.635 0.187 1.00 0.00 H ATOM 113 HB2 GLU A 7 -2.112 6.791 -0.987 1.00 0.00 H ATOM 114 HB3 GLU A 7 -2.580 6.025 -2.512 1.00 0.00 H ATOM 115 HG2 GLU A 7 -4.464 7.231 -1.556 1.00 0.00 H ATOM 116 HG3 GLU A 7 -4.820 5.504 -1.569 1.00 0.00 H ATOM 117 N GLY A 8 -3.768 2.755 -0.686 1.00 0.00 N ATOM 118 CA GLY A 8 -4.570 1.613 -1.099 1.00 0.00 C ATOM 119 C GLY A 8 -5.927 1.611 -0.392 1.00 0.00 C ATOM 120 O GLY A 8 -6.252 2.560 0.321 1.00 0.00 O ATOM 121 H GLY A 8 -3.812 3.010 0.293 1.00 0.00 H ATOM 122 HA2 GLY A 8 -4.742 1.644 -2.176 1.00 0.00 H ATOM 123 HA3 GLY A 8 -4.025 0.702 -0.849 1.00 0.00 H ATOM 124 N PRO A 9 -6.727 0.547 -0.586 1.00 0.00 N ATOM 125 CA PRO A 9 -8.057 0.402 -0.008 1.00 0.00 C ATOM 126 C PRO A 9 -8.073 0.584 1.511 1.00 0.00 C ATOM 127 O PRO A 9 -8.979 1.219 2.045 1.00 0.00 O ATOM 128 CB PRO A 9 -8.534 -0.999 -0.407 1.00 0.00 C ATOM 129 CG PRO A 9 -7.756 -1.284 -1.689 1.00 0.00 C ATOM 130 CD PRO A 9 -6.418 -0.591 -1.436 1.00 0.00 C ATOM 131 HA PRO A 9 -8.712 1.142 -0.473 1.00 0.00 H ATOM 132 HB2 PRO A 9 -8.244 -1.728 0.349 1.00 0.00 H ATOM 133 HB3 PRO A 9 -9.613 -1.037 -0.562 1.00 0.00 H ATOM 134 HG2 PRO A 9 -7.642 -2.353 -1.876 1.00 0.00 H ATOM 135 HG3 PRO A 9 -8.260 -0.804 -2.529 1.00 0.00 H ATOM 136 HD2 PRO A 9 -5.746 -1.265 -0.902 1.00 0.00 H ATOM 137 HD3 PRO A 9 -5.974 -0.297 -2.387 1.00 0.00 H ATOM 138 N TRP A 10 -7.064 0.032 2.196 1.00 0.00 N ATOM 139 CA TRP A 10 -6.955 0.044 3.649 1.00 0.00 C ATOM 140 C TRP A 10 -5.998 1.151 4.098 1.00 0.00 C ATOM 141 O TRP A 10 -5.183 0.945 4.996 1.00 0.00 O ATOM 142 CB TRP A 10 -6.484 -1.342 4.109 1.00 0.00 C ATOM 143 CG TRP A 10 -7.295 -2.485 3.583 1.00 0.00 C ATOM 144 CD1 TRP A 10 -8.455 -2.948 4.098 1.00 0.00 C ATOM 145 CD2 TRP A 10 -7.039 -3.286 2.397 1.00 0.00 C ATOM 146 NE1 TRP A 10 -8.934 -3.982 3.317 1.00 0.00 N ATOM 147 CE2 TRP A 10 -8.099 -4.224 2.243 1.00 0.00 C ATOM 148 CE3 TRP A 10 -6.018 -3.298 1.426 1.00 0.00 C ATOM 149 CZ2 TRP A 10 -8.145 -5.130 1.173 1.00 0.00 C ATOM 150 CZ3 TRP A 10 -6.055 -4.197 0.344 1.00 0.00 C ATOM 151 CH2 TRP A 10 -7.116 -5.112 0.216 1.00 0.00 C ATOM 152 H TRP A 10 -6.346 -0.460 1.685 1.00 0.00 H ATOM 153 HA TRP A 10 -7.931 0.230 4.101 1.00 0.00 H ATOM 154 HB2 TRP A 10 -5.456 -1.486 3.775 1.00 0.00 H ATOM 155 HB3 TRP A 10 -6.485 -1.391 5.195 1.00 0.00 H ATOM 156 HD1 TRP A 10 -8.944 -2.559 4.979 1.00 0.00 H ATOM 157 HE1 TRP A 10 -9.785 -4.498 3.484 1.00 0.00 H ATOM 158 HE3 TRP A 10 -5.206 -2.595 1.530 1.00 0.00 H ATOM 159 HZ2 TRP A 10 -8.962 -5.830 1.083 1.00 0.00 H ATOM 160 HZ3 TRP A 10 -5.264 -4.185 -0.391 1.00 0.00 H ATOM 161 HH2 TRP A 10 -7.139 -5.800 -0.616 1.00 0.00 H ATOM 162 N GLY A 11 -6.093 2.328 3.467 1.00 0.00 N ATOM 163 CA GLY A 11 -5.246 3.466 3.782 1.00 0.00 C ATOM 164 C GLY A 11 -3.875 3.304 3.132 1.00 0.00 C ATOM 165 O GLY A 11 -3.710 2.536 2.185 1.00 0.00 O ATOM 166 H GLY A 11 -6.764 2.436 2.719 1.00 0.00 H ATOM 167 HA2 GLY A 11 -5.708 4.376 3.402 1.00 0.00 H ATOM 168 HA3 GLY A 11 -5.137 3.559 4.863 1.00 0.00 H ATOM 169 N TRP A 12 -2.883 4.027 3.659 1.00 0.00 N ATOM 170 CA TRP A 12 -1.496 3.882 3.250 1.00 0.00 C ATOM 171 C TRP A 12 -0.956 2.539 3.736 1.00 0.00 C ATOM 172 O TRP A 12 -0.654 2.379 4.917 1.00 0.00 O ATOM 173 CB TRP A 12 -0.664 5.060 3.764 1.00 0.00 C ATOM 174 CG TRP A 12 -0.866 6.323 2.989 1.00 0.00 C ATOM 175 CD1 TRP A 12 -1.822 7.248 3.223 1.00 0.00 C ATOM 176 CD2 TRP A 12 -0.134 6.793 1.818 1.00 0.00 C ATOM 177 NE1 TRP A 12 -1.732 8.260 2.290 1.00 0.00 N ATOM 178 CE2 TRP A 12 -0.711 8.024 1.392 1.00 0.00 C ATOM 179 CE3 TRP A 12 0.958 6.302 1.070 1.00 0.00 C ATOM 180 CZ2 TRP A 12 -0.234 8.729 0.277 1.00 0.00 C ATOM 181 CZ3 TRP A 12 1.452 7.007 -0.043 1.00 0.00 C ATOM 182 CH2 TRP A 12 0.853 8.213 -0.446 1.00 0.00 C ATOM 183 H TRP A 12 -3.092 4.658 4.419 1.00 0.00 H ATOM 184 HA TRP A 12 -1.443 3.908 2.164 1.00 0.00 H ATOM 185 HB2 TRP A 12 -0.885 5.240 4.816 1.00 0.00 H ATOM 186 HB3 TRP A 12 0.392 4.799 3.681 1.00 0.00 H ATOM 187 HD1 TRP A 12 -2.555 7.199 4.015 1.00 0.00 H ATOM 188 HE1 TRP A 12 -2.337 9.066 2.245 1.00 0.00 H ATOM 189 HE3 TRP A 12 1.423 5.373 1.362 1.00 0.00 H ATOM 190 HZ2 TRP A 12 -0.698 9.658 -0.022 1.00 0.00 H ATOM 191 HZ3 TRP A 12 2.302 6.624 -0.588 1.00 0.00 H ATOM 192 HH2 TRP A 12 1.232 8.745 -1.306 1.00 0.00 H ATOM 193 N VAL A 13 -0.838 1.586 2.805 1.00 0.00 N ATOM 194 CA VAL A 13 -0.316 0.251 3.046 1.00 0.00 C ATOM 195 C VAL A 13 1.140 0.219 2.588 1.00 0.00 C ATOM 196 O VAL A 13 1.475 0.767 1.538 1.00 0.00 O ATOM 197 CB VAL A 13 -1.182 -0.811 2.342 1.00 0.00 C ATOM 198 CG1 VAL A 13 -2.548 -0.927 3.032 1.00 0.00 C ATOM 199 CG2 VAL A 13 -1.400 -0.539 0.846 1.00 0.00 C ATOM 200 H VAL A 13 -1.075 1.823 1.850 1.00 0.00 H ATOM 201 HA VAL A 13 -0.340 0.034 4.115 1.00 0.00 H ATOM 202 HB VAL A 13 -0.679 -1.775 2.442 1.00 0.00 H ATOM 203 HG11 VAL A 13 -3.120 -1.732 2.573 1.00 0.00 H ATOM 204 HG12 VAL A 13 -2.413 -1.153 4.090 1.00 0.00 H ATOM 205 HG13 VAL A 13 -3.105 0.005 2.935 1.00 0.00 H ATOM 206 HG21 VAL A 13 -1.950 -1.371 0.405 1.00 0.00 H ATOM 207 HG22 VAL A 13 -1.977 0.373 0.698 1.00 0.00 H ATOM 208 HG23 VAL A 13 -0.445 -0.447 0.331 1.00 0.00 H ATOM 209 N CYS A 14 2.010 -0.399 3.394 1.00 0.00 N ATOM 210 CA CYS A 14 3.450 -0.352 3.197 1.00 0.00 C ATOM 211 C CYS A 14 3.954 -1.616 2.513 1.00 0.00 C ATOM 212 O CYS A 14 3.413 -2.700 2.728 1.00 0.00 O ATOM 213 CB CYS A 14 4.152 -0.063 4.521 1.00 0.00 C ATOM 214 SG CYS A 14 3.821 1.602 5.160 1.00 0.00 S ATOM 215 H CYS A 14 1.668 -0.863 4.223 1.00 0.00 H ATOM 216 HA CYS A 14 3.691 0.481 2.553 1.00 0.00 H ATOM 217 HB2 CYS A 14 3.847 -0.800 5.264 1.00 0.00 H ATOM 218 HB3 CYS A 14 5.227 -0.145 4.371 1.00 0.00 H ATOM 219 N MET A 15 4.973 -1.451 1.660 1.00 0.00 N ATOM 220 CA MET A 15 5.500 -2.492 0.790 1.00 0.00 C ATOM 221 C MET A 15 7.026 -2.412 0.770 1.00 0.00 C ATOM 222 O MET A 15 7.541 -1.348 0.359 1.00 0.00 O ATOM 223 CB MET A 15 4.933 -2.322 -0.626 1.00 0.00 C ATOM 224 CG MET A 15 3.411 -2.491 -0.676 1.00 0.00 C ATOM 225 SD MET A 15 2.720 -2.404 -2.349 1.00 0.00 S ATOM 226 CE MET A 15 0.976 -2.705 -1.971 1.00 0.00 C ATOM 227 OXT MET A 15 7.654 -3.418 1.165 1.00 0.00 O ATOM 228 H MET A 15 5.397 -0.535 1.583 1.00 0.00 H ATOM 229 HA MET A 15 5.217 -3.478 1.163 1.00 0.00 H ATOM 230 HB2 MET A 15 5.192 -1.334 -1.010 1.00 0.00 H ATOM 231 HB3 MET A 15 5.384 -3.077 -1.272 1.00 0.00 H ATOM 232 HG2 MET A 15 3.149 -3.459 -0.248 1.00 0.00 H ATOM 233 HG3 MET A 15 2.937 -1.708 -0.086 1.00 0.00 H ATOM 234 HE1 MET A 15 0.865 -3.685 -1.507 1.00 0.00 H ATOM 235 HE2 MET A 15 0.613 -1.937 -1.289 1.00 0.00 H ATOM 236 HE3 MET A 15 0.397 -2.673 -2.893 1.00 0.00 H TER 237 MET A 15