HETATM 1 C ACE A 3 1.616 10.972 -6.530 1.00 0.00 C HETATM 2 O ACE A 3 1.398 10.771 -5.337 1.00 0.00 O HETATM 3 CH3 ACE A 3 2.315 12.251 -6.975 1.00 0.00 C HETATM 4 H1 ACE A 3 2.569 12.857 -6.105 1.00 0.00 H HETATM 5 H2 ACE A 3 3.228 12.002 -7.517 1.00 0.00 H HETATM 6 H3 ACE A 3 1.651 12.821 -7.625 1.00 0.00 H ATOM 7 N ARG A 4 1.265 10.118 -7.500 1.00 0.00 N ATOM 8 CA ARG A 4 0.551 8.867 -7.273 1.00 0.00 C ATOM 9 C ARG A 4 1.229 7.733 -8.050 1.00 0.00 C ATOM 10 O ARG A 4 0.698 7.291 -9.069 1.00 0.00 O ATOM 11 CB ARG A 4 -0.920 9.033 -7.691 1.00 0.00 C ATOM 12 CG ARG A 4 -1.656 10.041 -6.801 1.00 0.00 C ATOM 13 CD ARG A 4 -3.147 10.070 -7.155 1.00 0.00 C ATOM 14 NE ARG A 4 -3.891 10.985 -6.280 1.00 0.00 N ATOM 15 CZ ARG A 4 -3.900 12.325 -6.384 1.00 0.00 C ATOM 16 NH1 ARG A 4 -3.192 12.950 -7.335 1.00 0.00 N ATOM 17 NH2 ARG A 4 -4.630 13.045 -5.522 1.00 0.00 N ATOM 18 H ARG A 4 1.489 10.357 -8.455 1.00 0.00 H ATOM 19 HA ARG A 4 0.556 8.602 -6.216 1.00 0.00 H ATOM 20 HB2 ARG A 4 -0.976 9.362 -8.730 1.00 0.00 H ATOM 21 HB3 ARG A 4 -1.421 8.068 -7.603 1.00 0.00 H ATOM 22 HG2 ARG A 4 -1.544 9.752 -5.755 1.00 0.00 H ATOM 23 HG3 ARG A 4 -1.229 11.033 -6.941 1.00 0.00 H ATOM 24 HD2 ARG A 4 -3.279 10.358 -8.198 1.00 0.00 H ATOM 25 HD3 ARG A 4 -3.561 9.070 -7.022 1.00 0.00 H ATOM 26 HE ARG A 4 -4.441 10.559 -5.548 1.00 0.00 H ATOM 27 HH11 ARG A 4 -2.640 12.413 -7.988 1.00 0.00 H ATOM 28 HH12 ARG A 4 -3.206 13.957 -7.401 1.00 0.00 H ATOM 29 HH21 ARG A 4 -5.168 12.581 -4.805 1.00 0.00 H ATOM 30 HH22 ARG A 4 -4.646 14.053 -5.587 1.00 0.00 H ATOM 31 N PRO A 5 2.384 7.226 -7.582 1.00 0.00 N ATOM 32 CA PRO A 5 3.121 6.152 -8.236 1.00 0.00 C ATOM 33 C PRO A 5 2.541 4.785 -7.843 1.00 0.00 C ATOM 34 O PRO A 5 3.268 3.889 -7.416 1.00 0.00 O ATOM 35 CB PRO A 5 4.560 6.348 -7.750 1.00 0.00 C ATOM 36 CG PRO A 5 4.353 6.814 -6.310 1.00 0.00 C ATOM 37 CD PRO A 5 3.120 7.712 -6.424 1.00 0.00 C ATOM 38 HA PRO A 5 3.091 6.253 -9.322 1.00 0.00 H ATOM 39 HB2 PRO A 5 5.178 5.455 -7.821 1.00 0.00 H ATOM 40 HB3 PRO A 5 5.022 7.155 -8.321 1.00 0.00 H ATOM 41 HG2 PRO A 5 4.125 5.955 -5.678 1.00 0.00 H ATOM 42 HG3 PRO A 5 5.221 7.348 -5.921 1.00 0.00 H ATOM 43 HD2 PRO A 5 2.529 7.654 -5.509 1.00 0.00 H ATOM 44 HD3 PRO A 5 3.445 8.738 -6.598 1.00 0.00 H ATOM 45 N LEU A 6 1.220 4.630 -7.987 1.00 0.00 N ATOM 46 CA LEU A 6 0.489 3.416 -7.648 1.00 0.00 C ATOM 47 C LEU A 6 0.416 2.467 -8.846 1.00 0.00 C ATOM 48 O LEU A 6 0.172 1.280 -8.652 1.00 0.00 O ATOM 49 CB LEU A 6 -0.926 3.769 -7.157 1.00 0.00 C ATOM 50 CG LEU A 6 -1.028 4.277 -5.706 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.654 3.198 -4.681 1.00 0.00 C ATOM 52 CD2 LEU A 6 -0.218 5.552 -5.446 1.00 0.00 C ATOM 53 H LEU A 6 0.685 5.402 -8.363 1.00 0.00 H ATOM 54 HA LEU A 6 1.010 2.882 -6.855 1.00 0.00 H ATOM 55 HB2 LEU A 6 -1.355 4.517 -7.826 1.00 0.00 H ATOM 56 HB3 LEU A 6 -1.549 2.876 -7.223 1.00 0.00 H ATOM 57 HG LEU A 6 -2.078 4.526 -5.541 1.00 0.00 H ATOM 58 HD11 LEU A 6 -1.223 2.288 -4.873 1.00 0.00 H ATOM 59 HD12 LEU A 6 0.411 2.971 -4.721 1.00 0.00 H ATOM 60 HD13 LEU A 6 -0.893 3.555 -3.679 1.00 0.00 H ATOM 61 HD21 LEU A 6 -0.466 6.300 -6.196 1.00 0.00 H ATOM 62 HD22 LEU A 6 -0.468 5.946 -4.461 1.00 0.00 H ATOM 63 HD23 LEU A 6 0.851 5.343 -5.473 1.00 0.00 H ATOM 64 N GLN A 7 0.609 2.973 -10.072 1.00 0.00 N ATOM 65 CA GLN A 7 0.508 2.189 -11.296 1.00 0.00 C ATOM 66 C GLN A 7 1.463 0.993 -11.262 1.00 0.00 C ATOM 67 O GLN A 7 1.011 -0.151 -11.306 1.00 0.00 O ATOM 68 CB GLN A 7 0.758 3.108 -12.503 1.00 0.00 C ATOM 69 CG GLN A 7 0.772 2.379 -13.854 1.00 0.00 C ATOM 70 CD GLN A 7 -0.510 1.591 -14.116 1.00 0.00 C ATOM 71 OE1 GLN A 7 -1.508 2.157 -14.557 1.00 0.00 O ATOM 72 NE2 GLN A 7 -0.466 0.282 -13.845 1.00 0.00 N ATOM 73 H GLN A 7 0.797 3.960 -10.167 1.00 0.00 H ATOM 74 HA GLN A 7 -0.514 1.812 -11.358 1.00 0.00 H ATOM 75 HB2 GLN A 7 -0.026 3.866 -12.528 1.00 0.00 H ATOM 76 HB3 GLN A 7 1.717 3.614 -12.381 1.00 0.00 H ATOM 77 HG2 GLN A 7 0.883 3.125 -14.641 1.00 0.00 H ATOM 78 HG3 GLN A 7 1.632 1.710 -13.906 1.00 0.00 H ATOM 79 HE21 GLN A 7 0.384 -0.100 -13.455 1.00 0.00 H ATOM 80 N TRP A 8 2.774 1.251 -11.175 1.00 0.00 N ATOM 81 CA TRP A 8 3.785 0.201 -11.137 1.00 0.00 C ATOM 82 C TRP A 8 3.581 -0.714 -9.926 1.00 0.00 C ATOM 83 O TRP A 8 3.791 -1.919 -10.018 1.00 0.00 O ATOM 84 CB TRP A 8 5.199 0.807 -11.129 1.00 0.00 C ATOM 85 CG TRP A 8 5.672 1.352 -9.812 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.558 2.633 -9.398 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.248 0.622 -8.684 1.00 0.00 C ATOM 88 NE1 TRP A 8 6.017 2.750 -8.103 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.436 1.534 -7.606 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.582 -0.729 -8.442 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.933 1.132 -6.357 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.043 -1.151 -7.181 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.239 -0.221 -6.146 1.00 0.00 C ATOM 94 H TRP A 8 3.085 2.211 -11.129 1.00 0.00 H ATOM 95 HA TRP A 8 3.685 -0.392 -12.048 1.00 0.00 H ATOM 96 HB2 TRP A 8 5.896 0.017 -11.415 1.00 0.00 H ATOM 97 HB3 TRP A 8 5.260 1.588 -11.888 1.00 0.00 H ATOM 98 HD1 TRP A 8 5.136 3.441 -9.977 1.00 0.00 H ATOM 99 HE1 TRP A 8 6.016 3.597 -7.553 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.443 -1.460 -9.226 1.00 0.00 H ATOM 101 HZ2 TRP A 8 7.051 1.850 -5.559 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.222 -2.199 -6.997 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.609 -0.551 -5.185 1.00 0.00 H ATOM 104 N LEU A 9 3.205 -0.122 -8.786 1.00 0.00 N ATOM 105 CA LEU A 9 3.150 -0.783 -7.493 1.00 0.00 C ATOM 106 C LEU A 9 2.025 -1.819 -7.488 1.00 0.00 C ATOM 107 O LEU A 9 2.246 -2.975 -7.132 1.00 0.00 O ATOM 108 CB LEU A 9 3.021 0.303 -6.408 1.00 0.00 C ATOM 109 CG LEU A 9 3.567 -0.117 -5.034 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.923 1.127 -4.210 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.548 -0.937 -4.243 1.00 0.00 C ATOM 112 H LEU A 9 3.040 0.874 -8.799 1.00 0.00 H ATOM 113 HA LEU A 9 4.096 -1.304 -7.346 1.00 0.00 H ATOM 114 HB2 LEU A 9 3.624 1.152 -6.733 1.00 0.00 H ATOM 115 HB3 LEU A 9 1.989 0.645 -6.325 1.00 0.00 H ATOM 116 HG LEU A 9 4.476 -0.705 -5.166 1.00 0.00 H ATOM 117 HD11 LEU A 9 4.670 1.726 -4.730 1.00 0.00 H ATOM 118 HD12 LEU A 9 3.034 1.737 -4.047 1.00 0.00 H ATOM 119 HD13 LEU A 9 4.331 0.825 -3.245 1.00 0.00 H ATOM 120 HD21 LEU A 9 2.228 -1.807 -4.808 1.00 0.00 H ATOM 121 HD22 LEU A 9 3.001 -1.272 -3.310 1.00 0.00 H ATOM 122 HD23 LEU A 9 1.681 -0.317 -4.023 1.00 0.00 H ATOM 123 N ALA A 10 0.832 -1.414 -7.934 1.00 0.00 N ATOM 124 CA ALA A 10 -0.310 -2.297 -8.104 1.00 0.00 C ATOM 125 C ALA A 10 -0.026 -3.364 -9.161 1.00 0.00 C ATOM 126 O ALA A 10 -0.321 -4.535 -8.940 1.00 0.00 O ATOM 127 CB ALA A 10 -1.551 -1.480 -8.472 1.00 0.00 C ATOM 128 H ALA A 10 0.722 -0.451 -8.218 1.00 0.00 H ATOM 129 HA ALA A 10 -0.492 -2.790 -7.152 1.00 0.00 H ATOM 130 HB1 ALA A 10 -1.762 -0.754 -7.685 1.00 0.00 H ATOM 131 HB2 ALA A 10 -1.389 -0.951 -9.411 1.00 0.00 H ATOM 132 HB3 ALA A 10 -2.409 -2.144 -8.581 1.00 0.00 H ATOM 133 N GLU A 11 0.556 -2.969 -10.300 1.00 0.00 N ATOM 134 CA GLU A 11 0.910 -3.893 -11.370 1.00 0.00 C ATOM 135 C GLU A 11 1.864 -4.982 -10.868 1.00 0.00 C ATOM 136 O GLU A 11 1.701 -6.151 -11.215 1.00 0.00 O ATOM 137 CB GLU A 11 1.490 -3.103 -12.549 1.00 0.00 C ATOM 138 CG GLU A 11 1.675 -3.974 -13.795 1.00 0.00 C ATOM 139 CD GLU A 11 2.162 -3.139 -14.975 1.00 0.00 C ATOM 140 OE1 GLU A 11 1.316 -2.425 -15.555 1.00 0.00 O ATOM 141 OE2 GLU A 11 3.375 -3.222 -15.272 1.00 0.00 O ATOM 142 H GLU A 11 0.773 -1.989 -10.432 1.00 0.00 H ATOM 143 HA GLU A 11 -0.003 -4.377 -11.708 1.00 0.00 H ATOM 144 HB2 GLU A 11 0.795 -2.301 -12.799 1.00 0.00 H ATOM 145 HB3 GLU A 11 2.447 -2.663 -12.268 1.00 0.00 H ATOM 146 HG2 GLU A 11 2.401 -4.763 -13.591 1.00 0.00 H ATOM 147 HG3 GLU A 11 0.722 -4.435 -14.059 1.00 0.00 H ATOM 148 N LYS A 12 2.839 -4.597 -10.037 1.00 0.00 N ATOM 149 CA LYS A 12 3.815 -5.496 -9.446 1.00 0.00 C ATOM 150 C LYS A 12 3.149 -6.439 -8.441 1.00 0.00 C ATOM 151 O LYS A 12 3.177 -7.654 -8.629 1.00 0.00 O ATOM 152 CB LYS A 12 4.934 -4.662 -8.798 1.00 0.00 C ATOM 153 CG LYS A 12 5.984 -5.490 -8.042 1.00 0.00 C ATOM 154 CD LYS A 12 6.704 -6.544 -8.895 1.00 0.00 C ATOM 155 CE LYS A 12 7.400 -5.963 -10.132 1.00 0.00 C ATOM 156 NZ LYS A 12 8.322 -4.867 -9.786 1.00 0.00 N ATOM 157 H LYS A 12 2.914 -3.616 -9.804 1.00 0.00 H ATOM 158 HA LYS A 12 4.252 -6.094 -10.247 1.00 0.00 H ATOM 159 HB2 LYS A 12 5.429 -4.071 -9.568 1.00 0.00 H ATOM 160 HB3 LYS A 12 4.495 -3.966 -8.083 1.00 0.00 H ATOM 161 HG2 LYS A 12 6.720 -4.806 -7.618 1.00 0.00 H ATOM 162 HG3 LYS A 12 5.505 -6.005 -7.211 1.00 0.00 H ATOM 163 HD2 LYS A 12 7.452 -7.030 -8.266 1.00 0.00 H ATOM 164 HD3 LYS A 12 5.992 -7.307 -9.211 1.00 0.00 H ATOM 165 HE2 LYS A 12 7.971 -6.757 -10.615 1.00 0.00 H ATOM 166 HE3 LYS A 12 6.659 -5.595 -10.841 1.00 0.00 H ATOM 167 HZ1 LYS A 12 9.017 -5.203 -9.135 1.00 0.00 H ATOM 168 HZ2 LYS A 12 8.777 -4.533 -10.623 1.00 0.00 H ATOM 169 HZ3 LYS A 12 7.804 -4.110 -9.363 1.00 0.00 H ATOM 170 N TYR A 13 2.590 -5.881 -7.360 1.00 0.00 N ATOM 171 CA TYR A 13 2.115 -6.644 -6.214 1.00 0.00 C ATOM 172 C TYR A 13 0.617 -6.933 -6.298 1.00 0.00 C ATOM 173 O TYR A 13 0.214 -8.095 -6.269 1.00 0.00 O ATOM 174 CB TYR A 13 2.451 -5.887 -4.923 1.00 0.00 C ATOM 175 CG TYR A 13 3.929 -5.598 -4.735 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.831 -6.653 -4.503 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.409 -4.278 -4.816 1.00 0.00 C ATOM 178 CE1 TYR A 13 6.202 -6.385 -4.340 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.779 -4.011 -4.664 1.00 0.00 C ATOM 180 CZ TYR A 13 6.677 -5.064 -4.423 1.00 0.00 C ATOM 181 OH TYR A 13 8.007 -4.800 -4.270 1.00 0.00 O ATOM 182 H TYR A 13 2.582 -4.873 -7.284 1.00 0.00 H ATOM 183 HA TYR A 13 2.636 -7.602 -6.172 1.00 0.00 H ATOM 184 HB2 TYR A 13 1.902 -4.944 -4.911 1.00 0.00 H ATOM 185 HB3 TYR A 13 2.110 -6.481 -4.074 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.476 -7.672 -4.462 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.728 -3.464 -4.996 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.888 -7.199 -4.156 1.00 0.00 H ATOM 189 HE2 TYR A 13 6.140 -2.995 -4.727 1.00 0.00 H ATOM 190 HH TYR A 13 8.530 -5.581 -4.078 1.00 0.00 H ATOM 191 N PHE A 14 -0.207 -5.880 -6.360 1.00 0.00 N ATOM 192 CA PHE A 14 -1.656 -5.983 -6.223 1.00 0.00 C ATOM 193 C PHE A 14 -2.303 -6.356 -7.559 1.00 0.00 C ATOM 194 O PHE A 14 -3.083 -5.586 -8.119 1.00 0.00 O ATOM 195 CB PHE A 14 -2.229 -4.680 -5.636 1.00 0.00 C ATOM 196 CG PHE A 14 -1.450 -4.064 -4.484 1.00 0.00 C ATOM 197 CD1 PHE A 14 -0.807 -4.874 -3.526 1.00 0.00 C ATOM 198 CD2 PHE A 14 -1.347 -2.663 -4.387 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.005 -4.290 -2.530 1.00 0.00 C ATOM 200 CE2 PHE A 14 -0.583 -2.078 -3.364 1.00 0.00 C ATOM 201 CZ PHE A 14 0.107 -2.891 -2.449 1.00 0.00 C ATOM 202 H PHE A 14 0.192 -4.955 -6.433 1.00 0.00 H ATOM 203 HA PHE A 14 -1.888 -6.780 -5.515 1.00 0.00 H ATOM 204 HB2 PHE A 14 -2.291 -3.939 -6.431 1.00 0.00 H ATOM 205 HB3 PHE A 14 -3.247 -4.876 -5.296 1.00 0.00 H ATOM 206 HD1 PHE A 14 -0.900 -5.950 -3.560 1.00 0.00 H ATOM 207 HD2 PHE A 14 -1.854 -2.027 -5.098 1.00 0.00 H ATOM 208 HE1 PHE A 14 0.526 -4.917 -1.829 1.00 0.00 H ATOM 209 HE2 PHE A 14 -0.524 -1.003 -3.284 1.00 0.00 H ATOM 210 HZ PHE A 14 0.717 -2.441 -1.680 1.00 0.00 H ATOM 211 N GLN A 15 -1.970 -7.550 -8.059 1.00 0.00 N ATOM 212 CA GLN A 15 -2.468 -8.078 -9.319 1.00 0.00 C ATOM 213 C GLN A 15 -2.752 -9.573 -9.170 1.00 0.00 C ATOM 214 O GLN A 15 -3.860 -10.026 -9.448 1.00 0.00 O ATOM 215 CB GLN A 15 -1.444 -7.796 -10.429 1.00 0.00 C ATOM 216 CG GLN A 15 -2.057 -7.956 -11.826 1.00 0.00 C ATOM 217 CD GLN A 15 -3.096 -6.874 -12.118 1.00 0.00 C ATOM 218 OE1 GLN A 15 -4.278 -7.168 -12.287 1.00 0.00 O ATOM 219 NE2 GLN A 15 -2.636 -5.621 -12.169 1.00 0.00 N ATOM 220 H GLN A 15 -1.309 -8.114 -7.540 1.00 0.00 H ATOM 221 HA GLN A 15 -3.409 -7.584 -9.561 1.00 0.00 H ATOM 222 HB2 GLN A 15 -1.066 -6.778 -10.324 1.00 0.00 H ATOM 223 HB3 GLN A 15 -0.596 -8.476 -10.328 1.00 0.00 H ATOM 224 HG2 GLN A 15 -1.261 -7.876 -12.568 1.00 0.00 H ATOM 225 HG3 GLN A 15 -2.515 -8.942 -11.919 1.00 0.00 H ATOM 226 HE21 GLN A 15 -1.650 -5.473 -12.015 1.00 0.00 H HETATM 227 N NH2 A 16 -1.758 -10.345 -8.723 1.00 0.00 N HETATM 228 HN1 NH2 A 16 -0.859 -9.939 -8.505 1.00 0.00 H HETATM 229 HN2 NH2 A 16 -1.910 -11.336 -8.606 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -3.458 -4.450 -12.416 1.00 0.00 C HETATM 232 C2 LNK A 17 -2.557 -3.214 -12.412 1.00 0.00 C HETATM 233 C3 LNK A 17 -3.339 -1.934 -12.728 1.00 0.00 C HETATM 234 C4 LNK A 17 -2.404 -0.718 -12.744 1.00 0.00 C HETATM 235 C5 LNK A 17 -1.572 -0.642 -14.030 1.00 0.00 C HETATM 236 H11 LNK A 17 -4.215 -4.357 -11.636 1.00 0.00 H HETATM 237 H12 LNK A 17 -3.944 -4.544 -13.388 1.00 0.00 H HETATM 238 H21 LNK A 17 -2.102 -3.115 -11.426 1.00 0.00 H HETATM 239 H22 LNK A 17 -1.773 -3.368 -13.152 1.00 0.00 H HETATM 240 H31 LNK A 17 -3.844 -2.026 -13.690 1.00 0.00 H HETATM 241 H32 LNK A 17 -4.090 -1.789 -11.949 1.00 0.00 H HETATM 242 H41 LNK A 17 -1.744 -0.770 -11.877 1.00 0.00 H HETATM 243 H42 LNK A 17 -3.002 0.192 -12.670 1.00 0.00 H HETATM 244 H51 LNK A 17 -1.141 -1.612 -14.269 1.00 0.00 H HETATM 245 H52 LNK A 17 -2.204 -0.336 -14.866 1.00 0.00 H