HETATM 1 C ACE A 1 21.907 0.111 -7.391 1.00 0.00 C HETATM 2 O ACE A 1 22.314 -0.902 -7.962 1.00 0.00 O HETATM 3 CH3 ACE A 1 20.455 0.519 -7.479 1.00 0.00 C HETATM 4 H1 ACE A 1 20.269 1.279 -6.749 1.00 0.00 H HETATM 5 H2 ACE A 1 19.830 -0.344 -7.274 1.00 0.00 H HETATM 6 H3 ACE A 1 20.255 0.909 -8.470 1.00 0.00 H ATOM 7 N ALA A 2 22.696 0.909 -6.668 1.00 0.00 N ATOM 8 CA ALA A 2 24.122 0.638 -6.494 1.00 0.00 C ATOM 9 C ALA A 2 24.654 1.288 -5.216 1.00 0.00 C ATOM 10 O ALA A 2 25.041 0.593 -4.275 1.00 0.00 O ATOM 11 CB ALA A 2 24.905 1.123 -7.707 1.00 0.00 C ATOM 12 H ALA A 2 22.307 1.700 -6.239 1.00 0.00 H ATOM 13 HA ALA A 2 24.248 -0.433 -6.418 1.00 0.00 H ATOM 14 HB1 ALA A 2 25.937 1.279 -7.430 1.00 0.00 H ATOM 15 HB2 ALA A 2 24.483 2.052 -8.061 1.00 0.00 H ATOM 16 HB3 ALA A 2 24.852 0.381 -8.490 1.00 0.00 H ATOM 17 N TYR A 3 24.668 2.624 -5.191 1.00 0.00 N ATOM 18 CA TYR A 3 25.150 3.368 -4.028 1.00 0.00 C ATOM 19 C TYR A 3 24.219 3.178 -2.831 1.00 0.00 C ATOM 20 O TYR A 3 24.680 3.011 -1.700 1.00 0.00 O ATOM 21 CB TYR A 3 25.278 4.856 -4.363 1.00 0.00 C ATOM 22 CG TYR A 3 26.042 5.651 -3.325 1.00 0.00 C ATOM 23 CD1 TYR A 3 27.401 5.902 -3.476 1.00 0.00 C ATOM 24 CD2 TYR A 3 25.402 6.154 -2.199 1.00 0.00 C ATOM 25 CE1 TYR A 3 28.100 6.631 -2.534 1.00 0.00 C ATOM 26 CE2 TYR A 3 26.097 6.883 -1.251 1.00 0.00 C ATOM 27 CZ TYR A 3 27.444 7.120 -1.425 1.00 0.00 C ATOM 28 OH TYR A 3 28.138 7.849 -0.486 1.00 0.00 O ATOM 29 H TYR A 3 24.342 3.120 -5.972 1.00 0.00 H ATOM 30 HA TYR A 3 26.126 2.982 -3.772 1.00 0.00 H ATOM 31 HB2 TYR A 3 25.794 4.962 -5.306 1.00 0.00 H ATOM 32 HB3 TYR A 3 24.291 5.285 -4.449 1.00 0.00 H ATOM 33 HD1 TYR A 3 27.913 5.517 -4.346 1.00 0.00 H ATOM 34 HD2 TYR A 3 24.346 5.966 -2.066 1.00 0.00 H ATOM 35 HE1 TYR A 3 29.155 6.817 -2.670 1.00 0.00 H ATOM 36 HE2 TYR A 3 25.584 7.266 -0.382 1.00 0.00 H ATOM 37 HH TYR A 3 28.229 7.334 0.319 1.00 0.00 H ATOM 38 N ALA A 4 22.909 3.197 -3.088 1.00 0.00 N ATOM 39 CA ALA A 4 21.916 3.017 -2.030 1.00 0.00 C ATOM 40 C ALA A 4 22.076 1.651 -1.364 1.00 0.00 C ATOM 41 O ALA A 4 21.987 1.536 -0.140 1.00 0.00 O ATOM 42 CB ALA A 4 20.510 3.179 -2.588 1.00 0.00 C ATOM 43 H ALA A 4 22.604 3.329 -4.009 1.00 0.00 H ATOM 44 HA ALA A 4 22.076 3.787 -1.290 1.00 0.00 H ATOM 45 HB1 ALA A 4 20.339 2.440 -3.356 1.00 0.00 H ATOM 46 HB2 ALA A 4 20.404 4.168 -3.009 1.00 0.00 H ATOM 47 HB3 ALA A 4 19.790 3.047 -1.793 1.00 0.00 H ATOM 48 N GLN A 5 22.329 0.621 -2.178 1.00 0.00 N ATOM 49 CA GLN A 5 22.521 -0.735 -1.669 1.00 0.00 C ATOM 50 C GLN A 5 23.785 -0.812 -0.813 1.00 0.00 C ATOM 51 O GLN A 5 23.809 -1.500 0.209 1.00 0.00 O ATOM 52 CB GLN A 5 22.607 -1.735 -2.825 1.00 0.00 C ATOM 53 CG GLN A 5 22.107 -3.126 -2.465 1.00 0.00 C ATOM 54 CD GLN A 5 20.591 -3.229 -2.469 1.00 0.00 C ATOM 55 OE1 GLN A 5 19.885 -2.222 -2.385 1.00 0.00 O ATOM 56 NE2 GLN A 5 20.080 -4.452 -2.566 1.00 0.00 N ATOM 57 H GLN A 5 22.399 0.782 -3.143 1.00 0.00 H ATOM 58 HA GLN A 5 21.669 -0.982 -1.052 1.00 0.00 H ATOM 59 HB2 GLN A 5 22.016 -1.366 -3.651 1.00 0.00 H ATOM 60 HB3 GLN A 5 23.637 -1.816 -3.140 1.00 0.00 H ATOM 61 HG2 GLN A 5 22.501 -3.831 -3.181 1.00 0.00 H ATOM 62 HG3 GLN A 5 22.468 -3.378 -1.478 1.00 0.00 H ATOM 63 HE21 GLN A 5 20.698 -5.210 -2.628 1.00 0.00 H ATOM 64 HE22 GLN A 5 19.104 -4.546 -2.570 1.00 0.00 H ATOM 65 N TRP A 6 24.830 -0.090 -1.235 1.00 0.00 N ATOM 66 CA TRP A 6 26.099 -0.055 -0.506 1.00 0.00 C ATOM 67 C TRP A 6 25.878 0.371 0.947 1.00 0.00 C ATOM 68 O TRP A 6 26.446 -0.219 1.867 1.00 0.00 O ATOM 69 CB TRP A 6 27.079 0.901 -1.201 1.00 0.00 C ATOM 70 CG TRP A 6 28.327 1.169 -0.413 1.00 0.00 C ATOM 71 CD1 TRP A 6 29.355 0.302 -0.182 1.00 0.00 C ATOM 72 CD2 TRP A 6 28.677 2.392 0.248 1.00 0.00 C ATOM 73 NE1 TRP A 6 30.320 0.908 0.582 1.00 0.00 N ATOM 74 CE2 TRP A 6 29.929 2.190 0.859 1.00 0.00 C ATOM 75 CE3 TRP A 6 28.054 3.637 0.383 1.00 0.00 C ATOM 76 CZ2 TRP A 6 30.569 3.185 1.593 1.00 0.00 C ATOM 77 CZ3 TRP A 6 28.692 4.625 1.112 1.00 0.00 C ATOM 78 CH2 TRP A 6 29.937 4.393 1.707 1.00 0.00 C ATOM 79 H TRP A 6 24.739 0.443 -2.053 1.00 0.00 H ATOM 80 HA TRP A 6 26.514 -1.053 -0.518 1.00 0.00 H ATOM 81 HB2 TRP A 6 27.373 0.477 -2.149 1.00 0.00 H ATOM 82 HB3 TRP A 6 26.585 1.845 -1.375 1.00 0.00 H ATOM 83 HD1 TRP A 6 29.390 -0.712 -0.552 1.00 0.00 H ATOM 84 HE1 TRP A 6 31.155 0.490 0.881 1.00 0.00 H ATOM 85 HE3 TRP A 6 27.094 3.833 -0.070 1.00 0.00 H ATOM 86 HZ2 TRP A 6 31.530 3.023 2.058 1.00 0.00 H ATOM 87 HZ3 TRP A 6 28.227 5.593 1.227 1.00 0.00 H ATOM 88 HH2 TRP A 6 30.398 5.192 2.269 1.00 0.00 H ATOM 89 N LEU A 7 25.038 1.393 1.142 1.00 0.00 N ATOM 90 CA LEU A 7 24.726 1.894 2.480 1.00 0.00 C ATOM 91 C LEU A 7 23.975 0.840 3.296 1.00 0.00 C ATOM 92 O LEU A 7 24.188 0.712 4.503 1.00 0.00 O ATOM 93 CB LEU A 7 23.889 3.174 2.393 1.00 0.00 C ATOM 94 CG LEU A 7 24.633 4.410 1.884 1.00 0.00 C ATOM 95 CD1 LEU A 7 23.666 5.564 1.667 1.00 0.00 C ATOM 96 CD2 LEU A 7 25.733 4.811 2.858 1.00 0.00 C ATOM 97 H LEU A 7 24.612 1.814 0.365 1.00 0.00 H ATOM 98 HA LEU A 7 25.660 2.119 2.976 1.00 0.00 H ATOM 99 HB2 LEU A 7 23.055 2.985 1.731 1.00 0.00 H ATOM 100 HB3 LEU A 7 23.502 3.393 3.376 1.00 0.00 H ATOM 101 HG LEU A 7 25.093 4.178 0.935 1.00 0.00 H ATOM 102 HD11 LEU A 7 23.219 5.480 0.688 1.00 0.00 H ATOM 103 HD12 LEU A 7 24.199 6.500 1.742 1.00 0.00 H ATOM 104 HD13 LEU A 7 22.892 5.530 2.420 1.00 0.00 H ATOM 105 HD21 LEU A 7 26.458 4.014 2.933 1.00 0.00 H ATOM 106 HD22 LEU A 7 25.303 4.997 3.831 1.00 0.00 H ATOM 107 HD23 LEU A 7 26.219 5.708 2.503 1.00 0.00 H ATOM 108 N ALA A 8 23.097 0.089 2.624 1.00 0.00 N ATOM 109 CA ALA A 8 22.311 -0.959 3.275 1.00 0.00 C ATOM 110 C ALA A 8 23.205 -2.043 3.880 1.00 0.00 C ATOM 111 O ALA A 8 22.887 -2.600 4.931 1.00 0.00 O ATOM 112 CB ALA A 8 21.330 -1.576 2.286 1.00 0.00 C ATOM 113 H ALA A 8 22.976 0.243 1.663 1.00 0.00 H ATOM 114 HA ALA A 8 21.738 -0.498 4.068 1.00 0.00 H ATOM 115 HB1 ALA A 8 20.490 -1.990 2.823 1.00 0.00 H ATOM 116 HB2 ALA A 8 21.823 -2.359 1.730 1.00 0.00 H ATOM 117 HB3 ALA A 8 20.981 -0.815 1.603 1.00 0.00 H ATOM 118 N ASP A 9 24.327 -2.335 3.213 1.00 0.00 N ATOM 119 CA ASP A 9 25.267 -3.350 3.694 1.00 0.00 C ATOM 120 C ASP A 9 26.062 -2.855 4.908 1.00 0.00 C ATOM 121 O ASP A 9 26.686 -3.654 5.608 1.00 0.00 O ATOM 122 CB ASP A 9 26.234 -3.771 2.576 1.00 0.00 C ATOM 123 CG ASP A 9 25.544 -3.976 1.238 1.00 0.00 C ATOM 124 OD1 ASP A 9 24.555 -4.739 1.187 1.00 0.00 O ATOM 125 OD2 ASP A 9 25.995 -3.374 0.241 1.00 0.00 O ATOM 126 H ASP A 9 24.527 -1.855 2.383 1.00 0.00 H ATOM 127 HA ASP A 9 24.688 -4.213 3.992 1.00 0.00 H ATOM 128 HB2 ASP A 9 26.989 -3.009 2.454 1.00 0.00 H ATOM 129 HB3 ASP A 9 26.712 -4.698 2.858 1.00 0.00 H HETATM 130 N DAL A 10 26.036 -1.540 5.156 1.00 0.00 N HETATM 131 CA DAL A 10 26.756 -0.955 6.286 1.00 0.00 C HETATM 132 CB DAL A 10 25.767 -0.442 7.324 1.00 0.00 C HETATM 133 C DAL A 10 27.696 0.174 5.841 1.00 0.00 C HETATM 134 O DAL A 10 28.201 0.927 6.677 1.00 0.00 O HETATM 135 H DAL A 10 25.522 -0.950 4.567 1.00 0.00 H HETATM 136 HA DAL A 10 27.345 -1.735 6.744 1.00 0.00 H HETATM 137 HB1 DAL A 10 25.034 -1.208 7.532 1.00 0.00 H HETATM 138 HB2 DAL A 10 25.270 0.439 6.944 1.00 0.00 H HETATM 139 HB3 DAL A 10 26.296 -0.193 8.233 1.00 0.00 H ATOM 140 N GLY A 11 27.932 0.285 4.529 1.00 0.00 N ATOM 141 CA GLY A 11 28.810 1.321 4.014 1.00 0.00 C ATOM 142 C GLY A 11 30.264 1.081 4.381 1.00 0.00 C ATOM 143 O GLY A 11 30.783 -0.015 4.168 1.00 0.00 O ATOM 144 H GLY A 11 27.508 -0.340 3.907 1.00 0.00 H ATOM 145 HA2 GLY A 11 28.721 1.349 2.938 1.00 0.00 H ATOM 146 HA3 GLY A 11 28.498 2.273 4.415 1.00 0.00 H ATOM 147 N PRO A 12 30.954 2.097 4.936 1.00 0.00 N ATOM 148 CA PRO A 12 32.367 1.976 5.330 1.00 0.00 C ATOM 149 C PRO A 12 32.592 0.935 6.432 1.00 0.00 C ATOM 150 O PRO A 12 33.689 0.388 6.557 1.00 0.00 O ATOM 151 CB PRO A 12 32.727 3.378 5.843 1.00 0.00 C ATOM 152 CG PRO A 12 31.663 4.279 5.314 1.00 0.00 C ATOM 153 CD PRO A 12 30.422 3.440 5.217 1.00 0.00 C ATOM 154 HA PRO A 12 32.989 1.733 4.480 1.00 0.00 H ATOM 155 HB2 PRO A 12 32.739 3.377 6.925 1.00 0.00 H ATOM 156 HB3 PRO A 12 33.701 3.659 5.470 1.00 0.00 H ATOM 157 HG2 PRO A 12 31.508 5.102 5.994 1.00 0.00 H ATOM 158 HG3 PRO A 12 31.944 4.644 4.337 1.00 0.00 H ATOM 159 HD2 PRO A 12 29.880 3.456 6.152 1.00 0.00 H ATOM 160 HD3 PRO A 12 29.795 3.785 4.410 1.00 0.00 H ATOM 161 N ALA A 13 31.553 0.668 7.233 1.00 0.00 N ATOM 162 CA ALA A 13 31.647 -0.302 8.325 1.00 0.00 C ATOM 163 C ALA A 13 31.791 -1.733 7.804 1.00 0.00 C ATOM 164 O ALA A 13 32.525 -2.536 8.384 1.00 0.00 O ATOM 165 CB ALA A 13 30.434 -0.190 9.238 1.00 0.00 C ATOM 166 H ALA A 13 30.706 1.137 7.089 1.00 0.00 H ATOM 167 HA ALA A 13 32.524 -0.057 8.906 1.00 0.00 H ATOM 168 HB1 ALA A 13 30.513 0.708 9.834 1.00 0.00 H ATOM 169 HB2 ALA A 13 30.394 -1.050 9.891 1.00 0.00 H ATOM 170 HB3 ALA A 13 29.535 -0.148 8.643 1.00 0.00 H ATOM 171 N SER A 14 31.091 -2.049 6.711 1.00 0.00 N ATOM 172 CA SER A 14 31.148 -3.387 6.121 1.00 0.00 C ATOM 173 C SER A 14 32.537 -3.693 5.549 1.00 0.00 C ATOM 174 O SER A 14 32.933 -4.856 5.463 1.00 0.00 O ATOM 175 CB SER A 14 30.088 -3.534 5.024 1.00 0.00 C ATOM 176 OG SER A 14 30.377 -2.702 3.913 1.00 0.00 O ATOM 177 H SER A 14 30.524 -1.368 6.291 1.00 0.00 H ATOM 178 HA SER A 14 30.936 -4.099 6.905 1.00 0.00 H ATOM 179 HB2 SER A 14 30.061 -4.560 4.689 1.00 0.00 H ATOM 180 HB3 SER A 14 29.122 -3.261 5.422 1.00 0.00 H ATOM 181 HG SER A 14 29.679 -2.788 3.258 1.00 0.00 H HETATM 182 N DAL A 15 33.268 -2.646 5.155 1.00 0.00 N HETATM 183 CA DAL A 15 34.604 -2.808 4.586 1.00 0.00 C HETATM 184 CB DAL A 15 35.478 -1.610 4.932 1.00 0.00 C HETATM 185 C DAL A 15 34.536 -2.999 3.071 1.00 0.00 C HETATM 186 O DAL A 15 35.331 -3.745 2.496 1.00 0.00 O HETATM 187 H DAL A 15 32.896 -1.743 5.242 1.00 0.00 H HETATM 188 HA DAL A 15 35.049 -3.688 5.029 1.00 0.00 H HETATM 189 HB1 DAL A 15 35.033 -0.712 4.529 1.00 0.00 H HETATM 190 HB2 DAL A 15 36.461 -1.746 4.507 1.00 0.00 H HETATM 191 HB3 DAL A 15 35.558 -1.522 6.006 1.00 0.00 H HETATM 192 N NVA A 16 33.581 -2.321 2.433 1.00 0.00 N HETATM 193 CA NVA A 16 33.400 -2.410 0.988 1.00 0.00 C HETATM 194 CB NVA A 16 32.069 -3.101 0.669 1.00 0.00 C HETATM 195 CG NVA A 16 31.737 -3.155 -0.816 1.00 0.00 C HETATM 196 CD NVA A 16 31.629 -4.578 -1.317 1.00 0.00 C HETATM 197 C NVA A 16 33.441 -1.018 0.355 1.00 0.00 C HETATM 198 O NVA A 16 32.822 -0.082 0.862 1.00 0.00 O HETATM 199 H NVA A 16 32.980 -1.743 2.950 1.00 0.00 H HETATM 200 HA NVA A 16 34.209 -3.002 0.587 1.00 0.00 H HETATM 201 HB2 NVA A 16 31.273 -2.571 1.174 1.00 0.00 H HETATM 202 HB3 NVA A 16 32.106 -4.113 1.043 1.00 0.00 H HETATM 203 HG2 NVA A 16 32.515 -2.656 -1.373 1.00 0.00 H HETATM 204 HG3 NVA A 16 30.792 -2.660 -0.986 1.00 0.00 H HETATM 205 HD1 NVA A 16 32.574 -5.082 -1.178 1.00 0.00 H HETATM 206 HD2 NVA A 16 31.375 -4.571 -2.367 1.00 0.00 H HETATM 207 HD3 NVA A 16 30.860 -5.097 -0.764 1.00 0.00 H ATOM 208 N PRO A 17 34.177 -0.862 -0.763 1.00 0.00 N ATOM 209 CA PRO A 17 34.293 0.427 -1.458 1.00 0.00 C ATOM 210 C PRO A 17 32.991 0.834 -2.152 1.00 0.00 C ATOM 211 O PRO A 17 32.441 0.070 -2.949 1.00 0.00 O ATOM 212 CB PRO A 17 35.397 0.179 -2.490 1.00 0.00 C ATOM 213 CG PRO A 17 35.374 -1.291 -2.731 1.00 0.00 C ATOM 214 CD PRO A 17 34.957 -1.923 -1.432 1.00 0.00 C ATOM 215 HA PRO A 17 34.600 1.210 -0.782 1.00 0.00 H ATOM 216 HB2 PRO A 17 35.179 0.731 -3.393 1.00 0.00 H ATOM 217 HB3 PRO A 17 36.347 0.498 -2.088 1.00 0.00 H ATOM 218 HG2 PRO A 17 34.662 -1.525 -3.507 1.00 0.00 H ATOM 219 HG3 PRO A 17 36.360 -1.632 -3.011 1.00 0.00 H ATOM 220 HD2 PRO A 17 34.344 -2.793 -1.616 1.00 0.00 H ATOM 221 HD3 PRO A 17 35.824 -2.190 -0.846 1.00 0.00 H ATOM 222 N PRO A 18 32.481 2.050 -1.860 1.00 0.00 N ATOM 223 CA PRO A 18 31.241 2.562 -2.461 1.00 0.00 C ATOM 224 C PRO A 18 31.297 2.563 -3.991 1.00 0.00 C ATOM 225 O PRO A 18 32.312 2.937 -4.581 1.00 0.00 O ATOM 226 CB PRO A 18 31.138 4.000 -1.927 1.00 0.00 C ATOM 227 CG PRO A 18 32.494 4.321 -1.396 1.00 0.00 C ATOM 228 CD PRO A 18 33.070 3.019 -0.927 1.00 0.00 C ATOM 229 HA PRO A 18 30.383 1.993 -2.135 1.00 0.00 H ATOM 230 HB2 PRO A 18 30.864 4.665 -2.733 1.00 0.00 H ATOM 231 HB3 PRO A 18 30.392 4.045 -1.149 1.00 0.00 H ATOM 232 HG2 PRO A 18 33.106 4.742 -2.180 1.00 0.00 H ATOM 233 HG3 PRO A 18 32.411 5.014 -0.572 1.00 0.00 H ATOM 234 HD2 PRO A 18 34.147 3.031 -1.006 1.00 0.00 H ATOM 235 HD3 PRO A 18 32.764 2.812 0.088 1.00 0.00 H ATOM 236 N PRO A 19 30.202 2.139 -4.655 1.00 0.00 N ATOM 237 CA PRO A 19 30.137 2.088 -6.120 1.00 0.00 C ATOM 238 C PRO A 19 29.964 3.473 -6.742 1.00 0.00 C ATOM 239 O PRO A 19 29.054 4.220 -6.375 1.00 0.00 O ATOM 240 CB PRO A 19 28.909 1.218 -6.385 1.00 0.00 C ATOM 241 CG PRO A 19 28.032 1.428 -5.199 1.00 0.00 C ATOM 242 CD PRO A 19 28.949 1.672 -4.030 1.00 0.00 C ATOM 243 HA PRO A 19 31.014 1.615 -6.537 1.00 0.00 H ATOM 244 HB2 PRO A 19 28.426 1.539 -7.296 1.00 0.00 H ATOM 245 HB3 PRO A 19 29.208 0.185 -6.474 1.00 0.00 H ATOM 246 HG2 PRO A 19 27.397 2.286 -5.362 1.00 0.00 H ATOM 247 HG3 PRO A 19 27.433 0.546 -5.026 1.00 0.00 H ATOM 248 HD2 PRO A 19 28.537 2.434 -3.385 1.00 0.00 H ATOM 249 HD3 PRO A 19 29.110 0.759 -3.480 1.00 0.00 H ATOM 250 N SER A 20 30.848 3.809 -7.680 1.00 0.00 N ATOM 251 CA SER A 20 30.802 5.104 -8.354 1.00 0.00 C ATOM 252 C SER A 20 31.418 5.021 -9.751 1.00 0.00 C ATOM 253 O SER A 20 32.376 4.281 -9.975 1.00 0.00 O ATOM 254 CB SER A 20 31.534 6.162 -7.520 1.00 0.00 C ATOM 255 OG SER A 20 32.846 5.738 -7.191 1.00 0.00 O ATOM 256 H SER A 20 31.552 3.170 -7.924 1.00 0.00 H ATOM 257 HA SER A 20 29.765 5.391 -8.449 1.00 0.00 H ATOM 258 HB2 SER A 20 31.597 7.081 -8.083 1.00 0.00 H ATOM 259 HB3 SER A 20 30.986 6.338 -6.606 1.00 0.00 H ATOM 260 HG SER A 20 32.834 5.279 -6.347 1.00 0.00 H HETATM 261 N NH2 A 21 30.868 5.783 -10.692 1.00 0.00 N HETATM 262 HN1 NH2 A 21 30.107 6.349 -10.445 1.00 0.00 H HETATM 263 HN2 NH2 A 21 31.247 5.747 -11.595 1.00 0.00 H TER 264 NH2 A 21