ATOM 1 N GLY A 1 4.148 -6.067 -9.000 1.00 0.00 N ATOM 2 CA GLY A 1 5.417 -5.515 -8.436 1.00 0.00 C ATOM 3 C GLY A 1 6.116 -6.588 -7.590 1.00 0.00 C ATOM 4 O GLY A 1 5.602 -7.678 -7.438 1.00 0.00 O ATOM 5 H1 GLY A 1 4.147 -5.957 -10.034 1.00 0.00 H ATOM 6 H2 GLY A 1 3.338 -5.554 -8.597 1.00 0.00 H ATOM 7 H3 GLY A 1 4.070 -7.075 -8.762 1.00 0.00 H ATOM 8 HA2 GLY A 1 6.067 -5.212 -9.245 1.00 0.00 H ATOM 9 HA3 GLY A 1 5.194 -4.661 -7.814 1.00 0.00 H HETATM 10 N HYP A 2 7.272 -6.243 -7.074 1.00 0.00 N HETATM 11 CA HYP A 2 8.052 -7.194 -6.240 1.00 0.00 C HETATM 12 C HYP A 2 7.409 -7.361 -4.857 1.00 0.00 C HETATM 13 O HYP A 2 6.458 -6.677 -4.520 1.00 0.00 O HETATM 14 CB HYP A 2 9.410 -6.515 -6.107 1.00 0.00 C HETATM 15 CG HYP A 2 9.141 -5.055 -6.285 1.00 0.00 C HETATM 16 CD HYP A 2 7.960 -4.955 -7.219 1.00 0.00 C HETATM 17 OD1 HYP A 2 10.285 -4.366 -6.801 1.00 0.00 O HETATM 18 HA HYP A 2 8.155 -8.144 -6.735 1.00 0.00 H HETATM 19 HB2 HYP A 2 10.082 -6.864 -6.876 1.00 0.00 H HETATM 20 HB3 HYP A 2 9.828 -6.704 -5.128 1.00 0.00 H HETATM 21 HG HYP A 2 8.859 -4.639 -5.328 1.00 0.00 H HETATM 22 HD22 HYP A 2 7.314 -4.143 -6.919 1.00 0.00 H HETATM 23 HD23 HYP A 2 8.290 -4.823 -8.238 1.00 0.00 H HETATM 24 HD1 HYP A 2 10.076 -3.430 -6.909 1.00 0.00 H ATOM 25 N SER A 3 7.933 -8.249 -4.053 1.00 0.00 N ATOM 26 CA SER A 3 7.369 -8.449 -2.684 1.00 0.00 C ATOM 27 C SER A 3 7.669 -7.223 -1.824 1.00 0.00 C ATOM 28 O SER A 3 8.802 -6.991 -1.435 1.00 0.00 O ATOM 29 CB SER A 3 8.079 -9.683 -2.132 1.00 0.00 C ATOM 30 OG SER A 3 7.929 -10.760 -3.055 1.00 0.00 O ATOM 31 H SER A 3 8.706 -8.776 -4.342 1.00 0.00 H ATOM 32 HA SER A 3 6.308 -8.621 -2.734 1.00 0.00 H ATOM 33 HB2 SER A 3 9.127 -9.469 -2.000 1.00 0.00 H ATOM 34 HB3 SER A 3 7.644 -9.945 -1.175 1.00 0.00 H ATOM 35 HG SER A 3 8.266 -11.562 -2.637 1.00 0.00 H ATOM 36 N PHE A 4 6.672 -6.433 -1.533 1.00 0.00 N ATOM 37 CA PHE A 4 6.905 -5.212 -0.703 1.00 0.00 C ATOM 38 C PHE A 4 7.098 -5.604 0.768 1.00 0.00 C ATOM 39 O PHE A 4 7.259 -6.764 1.094 1.00 0.00 O ATOM 40 CB PHE A 4 5.650 -4.346 -0.884 1.00 0.00 C ATOM 41 CG PHE A 4 5.911 -3.304 -1.955 1.00 0.00 C ATOM 42 CD1 PHE A 4 5.928 -3.677 -3.307 1.00 0.00 C ATOM 43 CD2 PHE A 4 6.143 -1.967 -1.601 1.00 0.00 C ATOM 44 CE1 PHE A 4 6.169 -2.718 -4.296 1.00 0.00 C ATOM 45 CE2 PHE A 4 6.384 -1.010 -2.595 1.00 0.00 C ATOM 46 CZ PHE A 4 6.397 -1.386 -3.941 1.00 0.00 C ATOM 47 H PHE A 4 5.774 -6.638 -1.869 1.00 0.00 H ATOM 48 HA PHE A 4 7.772 -4.681 -1.064 1.00 0.00 H ATOM 49 HB2 PHE A 4 4.817 -4.969 -1.180 1.00 0.00 H ATOM 50 HB3 PHE A 4 5.412 -3.852 0.047 1.00 0.00 H ATOM 51 HD1 PHE A 4 5.750 -4.707 -3.586 1.00 0.00 H ATOM 52 HD2 PHE A 4 6.133 -1.673 -0.564 1.00 0.00 H ATOM 53 HE1 PHE A 4 6.179 -3.007 -5.337 1.00 0.00 H ATOM 54 HE2 PHE A 4 6.559 0.020 -2.322 1.00 0.00 H ATOM 55 HZ PHE A 4 6.583 -0.648 -4.707 1.00 0.00 H ATOM 56 N CYS A 5 7.092 -4.640 1.658 1.00 0.00 N ATOM 57 CA CYS A 5 7.285 -4.956 3.114 1.00 0.00 C ATOM 58 C CYS A 5 6.313 -6.058 3.558 1.00 0.00 C ATOM 59 O CYS A 5 6.682 -6.949 4.296 1.00 0.00 O ATOM 60 CB CYS A 5 7.001 -3.657 3.876 1.00 0.00 C ATOM 61 SG CYS A 5 7.811 -2.271 3.041 1.00 0.00 S ATOM 62 H CYS A 5 6.970 -3.714 1.367 1.00 0.00 H ATOM 63 HA CYS A 5 8.305 -5.264 3.292 1.00 0.00 H ATOM 64 HB2 CYS A 5 5.935 -3.484 3.910 1.00 0.00 H ATOM 65 HB3 CYS A 5 7.384 -3.742 4.882 1.00 0.00 H ATOM 66 N LYS A 6 5.077 -6.008 3.116 1.00 0.00 N ATOM 67 CA LYS A 6 4.094 -7.067 3.513 1.00 0.00 C ATOM 68 C LYS A 6 3.538 -7.752 2.260 1.00 0.00 C ATOM 69 O LYS A 6 3.685 -8.945 2.075 1.00 0.00 O ATOM 70 CB LYS A 6 2.989 -6.325 4.274 1.00 0.00 C ATOM 71 CG LYS A 6 3.579 -5.629 5.510 1.00 0.00 C ATOM 72 CD LYS A 6 3.672 -6.623 6.676 1.00 0.00 C ATOM 73 CE LYS A 6 5.047 -7.308 6.675 1.00 0.00 C ATOM 74 NZ LYS A 6 5.038 -8.230 7.849 1.00 0.00 N ATOM 75 H LYS A 6 4.797 -5.282 2.521 1.00 0.00 H ATOM 76 HA LYS A 6 4.562 -7.794 4.152 1.00 0.00 H ATOM 77 HB2 LYS A 6 2.541 -5.590 3.624 1.00 0.00 H ATOM 78 HB3 LYS A 6 2.234 -7.033 4.588 1.00 0.00 H ATOM 79 HG2 LYS A 6 4.564 -5.252 5.277 1.00 0.00 H ATOM 80 HG3 LYS A 6 2.938 -4.806 5.795 1.00 0.00 H ATOM 81 HD2 LYS A 6 3.532 -6.092 7.607 1.00 0.00 H ATOM 82 HD3 LYS A 6 2.898 -7.369 6.573 1.00 0.00 H ATOM 83 HE2 LYS A 6 5.183 -7.869 5.761 1.00 0.00 H ATOM 84 HE3 LYS A 6 5.831 -6.575 6.784 1.00 0.00 H ATOM 85 HZ1 LYS A 6 4.554 -9.116 7.593 1.00 0.00 H ATOM 86 HZ2 LYS A 6 4.545 -7.786 8.648 1.00 0.00 H ATOM 87 HZ3 LYS A 6 6.019 -8.445 8.125 1.00 0.00 H ATOM 88 N ALA A 7 2.919 -6.999 1.395 1.00 0.00 N ATOM 89 CA ALA A 7 2.356 -7.574 0.136 1.00 0.00 C ATOM 90 C ALA A 7 1.969 -6.434 -0.807 1.00 0.00 C ATOM 91 O ALA A 7 1.754 -5.320 -0.371 1.00 0.00 O ATOM 92 CB ALA A 7 1.118 -8.357 0.569 1.00 0.00 C ATOM 93 H ALA A 7 2.824 -6.041 1.570 1.00 0.00 H ATOM 94 HA ALA A 7 3.070 -8.231 -0.332 1.00 0.00 H ATOM 95 HB1 ALA A 7 0.583 -8.698 -0.306 1.00 0.00 H ATOM 96 HB2 ALA A 7 0.476 -7.716 1.155 1.00 0.00 H ATOM 97 HB3 ALA A 7 1.418 -9.207 1.163 1.00 0.00 H ATOM 98 N ASP A 8 1.871 -6.701 -2.082 1.00 0.00 N ATOM 99 CA ASP A 8 1.487 -5.635 -3.049 1.00 0.00 C ATOM 100 C ASP A 8 0.793 -6.263 -4.259 1.00 0.00 C ATOM 101 O ASP A 8 0.880 -7.459 -4.480 1.00 0.00 O ATOM 102 CB ASP A 8 2.796 -4.943 -3.452 1.00 0.00 C ATOM 103 CG ASP A 8 2.666 -3.447 -3.182 1.00 0.00 C ATOM 104 OD1 ASP A 8 2.692 -3.065 -2.020 1.00 0.00 O ATOM 105 OD2 ASP A 8 2.532 -2.706 -4.139 1.00 0.00 O ATOM 106 H ASP A 8 2.042 -7.604 -2.407 1.00 0.00 H ATOM 107 HA ASP A 8 0.824 -4.929 -2.574 1.00 0.00 H ATOM 108 HB2 ASP A 8 3.612 -5.345 -2.872 1.00 0.00 H ATOM 109 HB3 ASP A 8 2.984 -5.103 -4.502 1.00 0.00 H ATOM 110 N GLU A 9 0.067 -5.471 -5.015 1.00 0.00 N ATOM 111 CA GLU A 9 -0.692 -6.002 -6.196 1.00 0.00 C ATOM 112 C GLU A 9 -1.622 -7.141 -5.750 1.00 0.00 C ATOM 113 O GLU A 9 -2.113 -7.910 -6.551 1.00 0.00 O ATOM 114 CB GLU A 9 0.366 -6.496 -7.187 1.00 0.00 C ATOM 115 CG GLU A 9 -0.270 -6.688 -8.571 1.00 0.00 C ATOM 116 CD GLU A 9 0.613 -6.066 -9.649 1.00 0.00 C ATOM 117 OE1 GLU A 9 1.671 -6.607 -9.909 1.00 0.00 O ATOM 118 OE2 GLU A 9 0.214 -5.059 -10.209 1.00 0.00 O ATOM 119 H GLU A 9 -0.006 -4.520 -4.783 1.00 0.00 H ATOM 120 HA GLU A 9 -1.273 -5.212 -6.644 1.00 0.00 H ATOM 121 HB2 GLU A 9 1.157 -5.766 -7.250 1.00 0.00 H ATOM 122 HB3 GLU A 9 0.765 -7.435 -6.841 1.00 0.00 H ATOM 123 HG2 GLU A 9 -0.382 -7.745 -8.766 1.00 0.00 H ATOM 124 HG3 GLU A 9 -1.242 -6.218 -8.589 1.00 0.00 H ATOM 125 N LYS A 10 -1.882 -7.240 -4.472 1.00 0.00 N ATOM 126 CA LYS A 10 -2.785 -8.300 -3.967 1.00 0.00 C ATOM 127 C LYS A 10 -4.047 -7.634 -3.422 1.00 0.00 C ATOM 128 O LYS A 10 -3.966 -6.593 -2.797 1.00 0.00 O ATOM 129 CB LYS A 10 -2.006 -8.996 -2.847 1.00 0.00 C ATOM 130 CG LYS A 10 -2.358 -10.490 -2.822 1.00 0.00 C ATOM 131 CD LYS A 10 -1.606 -11.183 -1.678 1.00 0.00 C ATOM 132 CE LYS A 10 -2.426 -12.372 -1.152 1.00 0.00 C ATOM 133 NZ LYS A 10 -2.147 -13.494 -2.097 1.00 0.00 N ATOM 134 H LYS A 10 -1.494 -6.601 -3.845 1.00 0.00 H ATOM 135 HA LYS A 10 -3.027 -8.995 -4.756 1.00 0.00 H ATOM 136 HB2 LYS A 10 -0.945 -8.878 -3.023 1.00 0.00 H ATOM 137 HB3 LYS A 10 -2.266 -8.548 -1.901 1.00 0.00 H ATOM 138 HG2 LYS A 10 -3.424 -10.605 -2.673 1.00 0.00 H ATOM 139 HG3 LYS A 10 -2.074 -10.940 -3.760 1.00 0.00 H ATOM 140 HD2 LYS A 10 -0.650 -11.535 -2.036 1.00 0.00 H ATOM 141 HD3 LYS A 10 -1.448 -10.479 -0.873 1.00 0.00 H ATOM 142 HE2 LYS A 10 -2.108 -12.633 -0.151 1.00 0.00 H ATOM 143 HE3 LYS A 10 -3.480 -12.136 -1.160 1.00 0.00 H ATOM 144 HZ1 LYS A 10 -1.133 -13.720 -2.088 1.00 0.00 H ATOM 145 HZ2 LYS A 10 -2.431 -13.220 -3.058 1.00 0.00 H ATOM 146 HZ3 LYS A 10 -2.690 -14.332 -1.806 1.00 0.00 H HETATM 147 N HYP A 11 -5.171 -8.241 -3.691 1.00 0.00 N HETATM 148 CA HYP A 11 -6.460 -7.681 -3.231 1.00 0.00 C HETATM 149 C HYP A 11 -6.544 -7.652 -1.701 1.00 0.00 C HETATM 150 O HYP A 11 -6.241 -8.618 -1.033 1.00 0.00 O HETATM 151 CB HYP A 11 -7.494 -8.623 -3.842 1.00 0.00 C HETATM 152 CG HYP A 11 -6.756 -9.904 -4.064 1.00 0.00 C HETATM 153 CD HYP A 11 -5.357 -9.492 -4.431 1.00 0.00 C HETATM 154 OD1 HYP A 11 -7.356 -10.692 -5.096 1.00 0.00 O HETATM 155 HA HYP A 11 -6.588 -6.693 -3.632 1.00 0.00 H HETATM 156 HB2 HYP A 11 -7.848 -8.234 -4.782 1.00 0.00 H HETATM 157 HB3 HYP A 11 -8.319 -8.772 -3.158 1.00 0.00 H HETATM 158 HG HYP A 11 -6.723 -10.454 -3.136 1.00 0.00 H HETATM 159 HD22 HYP A 11 -4.644 -10.241 -4.118 1.00 0.00 H HETATM 160 HD23 HYP A 11 -5.282 -9.311 -5.493 1.00 0.00 H HETATM 161 HD1 HYP A 11 -7.751 -10.109 -5.759 1.00 0.00 H ATOM 162 N CYS A 12 -6.958 -6.540 -1.152 1.00 0.00 N ATOM 163 CA CYS A 12 -7.077 -6.420 0.331 1.00 0.00 C ATOM 164 C CYS A 12 -8.107 -5.333 0.669 1.00 0.00 C ATOM 165 O CYS A 12 -8.651 -4.699 -0.217 1.00 0.00 O ATOM 166 CB CYS A 12 -5.663 -6.044 0.812 1.00 0.00 C ATOM 167 SG CYS A 12 -5.624 -4.344 1.435 1.00 0.00 S ATOM 168 H CYS A 12 -7.201 -5.780 -1.721 1.00 0.00 H ATOM 169 HA CYS A 12 -7.372 -7.364 0.763 1.00 0.00 H ATOM 170 HB2 CYS A 12 -5.366 -6.718 1.602 1.00 0.00 H ATOM 171 HB3 CYS A 12 -4.970 -6.137 -0.014 1.00 0.00 H ATOM 172 N GLU A 13 -8.382 -5.113 1.928 1.00 0.00 N ATOM 173 CA GLU A 13 -9.383 -4.061 2.301 1.00 0.00 C ATOM 174 C GLU A 13 -8.729 -2.941 3.130 1.00 0.00 C ATOM 175 O GLU A 13 -9.097 -1.787 3.017 1.00 0.00 O ATOM 176 CB GLU A 13 -10.489 -4.776 3.104 1.00 0.00 C ATOM 177 CG GLU A 13 -9.901 -5.839 4.048 1.00 0.00 C ATOM 178 CD GLU A 13 -11.037 -6.571 4.765 1.00 0.00 C ATOM 179 OE1 GLU A 13 -11.558 -6.028 5.722 1.00 0.00 O ATOM 180 OE2 GLU A 13 -11.372 -7.666 4.340 1.00 0.00 O ATOM 181 H GLU A 13 -7.932 -5.634 2.623 1.00 0.00 H ATOM 182 HA GLU A 13 -9.814 -3.638 1.403 1.00 0.00 H ATOM 183 HB2 GLU A 13 -11.031 -4.045 3.687 1.00 0.00 H ATOM 184 HB3 GLU A 13 -11.171 -5.252 2.416 1.00 0.00 H ATOM 185 HG2 GLU A 13 -9.325 -6.553 3.478 1.00 0.00 H ATOM 186 HG3 GLU A 13 -9.267 -5.366 4.781 1.00 0.00 H ATOM 187 N TYR A 14 -7.770 -3.259 3.963 1.00 0.00 N ATOM 188 CA TYR A 14 -7.112 -2.191 4.782 1.00 0.00 C ATOM 189 C TYR A 14 -6.055 -1.461 3.950 1.00 0.00 C ATOM 190 O TYR A 14 -5.207 -2.070 3.322 1.00 0.00 O ATOM 191 CB TYR A 14 -6.471 -2.916 5.969 1.00 0.00 C ATOM 192 CG TYR A 14 -7.449 -2.942 7.121 1.00 0.00 C ATOM 193 CD1 TYR A 14 -8.595 -3.748 7.048 1.00 0.00 C ATOM 194 CD2 TYR A 14 -7.217 -2.153 8.258 1.00 0.00 C ATOM 195 CE1 TYR A 14 -9.505 -3.767 8.112 1.00 0.00 C ATOM 196 CE2 TYR A 14 -8.129 -2.175 9.322 1.00 0.00 C ATOM 197 CZ TYR A 14 -9.270 -2.980 9.247 1.00 0.00 C ATOM 198 OH TYR A 14 -10.166 -3.005 10.296 1.00 0.00 O ATOM 199 H TYR A 14 -7.480 -4.190 4.047 1.00 0.00 H ATOM 200 HA TYR A 14 -7.852 -1.491 5.137 1.00 0.00 H ATOM 201 HB2 TYR A 14 -6.215 -3.928 5.685 1.00 0.00 H ATOM 202 HB3 TYR A 14 -5.574 -2.393 6.270 1.00 0.00 H ATOM 203 HD1 TYR A 14 -8.775 -4.360 6.172 1.00 0.00 H ATOM 204 HD2 TYR A 14 -6.330 -1.532 8.316 1.00 0.00 H ATOM 205 HE1 TYR A 14 -10.390 -4.388 8.057 1.00 0.00 H ATOM 206 HE2 TYR A 14 -7.952 -1.567 10.200 1.00 0.00 H ATOM 207 HH TYR A 14 -10.809 -2.309 10.147 1.00 0.00 H ATOM 208 N HIS A 15 -6.107 -0.157 3.929 1.00 0.00 N ATOM 209 CA HIS A 15 -5.118 0.623 3.120 1.00 0.00 C ATOM 210 C HIS A 15 -3.696 0.521 3.698 1.00 0.00 C ATOM 211 O HIS A 15 -2.734 0.531 2.959 1.00 0.00 O ATOM 212 CB HIS A 15 -5.593 2.080 3.167 1.00 0.00 C ATOM 213 CG HIS A 15 -6.620 2.336 2.089 1.00 0.00 C ATOM 214 ND1 HIS A 15 -7.983 2.239 2.326 1.00 0.00 N ATOM 215 CD2 HIS A 15 -6.501 2.708 0.766 1.00 0.00 C ATOM 216 CE1 HIS A 15 -8.618 2.551 1.181 1.00 0.00 C ATOM 217 NE2 HIS A 15 -7.763 2.845 0.201 1.00 0.00 N ATOM 218 H HIS A 15 -6.804 0.309 4.434 1.00 0.00 H ATOM 219 HA HIS A 15 -5.125 0.277 2.103 1.00 0.00 H ATOM 220 HB2 HIS A 15 -6.029 2.285 4.134 1.00 0.00 H ATOM 221 HB3 HIS A 15 -4.745 2.734 3.013 1.00 0.00 H ATOM 222 HD1 HIS A 15 -8.408 1.985 3.173 1.00 0.00 H ATOM 223 HD2 HIS A 15 -5.574 2.869 0.242 1.00 0.00 H ATOM 224 HE1 HIS A 15 -9.688 2.571 1.067 1.00 0.00 H ATOM 225 N ALA A 16 -3.550 0.457 4.999 1.00 0.00 N ATOM 226 CA ALA A 16 -2.170 0.401 5.590 1.00 0.00 C ATOM 227 C ALA A 16 -1.682 -1.042 5.828 1.00 0.00 C ATOM 228 O ALA A 16 -0.830 -1.270 6.667 1.00 0.00 O ATOM 229 CB ALA A 16 -2.294 1.138 6.925 1.00 0.00 C ATOM 230 H ALA A 16 -4.336 0.474 5.585 1.00 0.00 H ATOM 231 HA ALA A 16 -1.476 0.924 4.957 1.00 0.00 H ATOM 232 HB1 ALA A 16 -2.748 2.104 6.764 1.00 0.00 H ATOM 233 HB2 ALA A 16 -1.311 1.267 7.354 1.00 0.00 H ATOM 234 HB3 ALA A 16 -2.908 0.559 7.601 1.00 0.00 H ATOM 235 N ASP A 17 -2.185 -2.009 5.102 1.00 0.00 N ATOM 236 CA ASP A 17 -1.708 -3.415 5.313 1.00 0.00 C ATOM 237 C ASP A 17 -0.351 -3.628 4.620 1.00 0.00 C ATOM 238 O ASP A 17 0.443 -4.453 5.027 1.00 0.00 O ATOM 239 CB ASP A 17 -2.783 -4.315 4.688 1.00 0.00 C ATOM 240 CG ASP A 17 -2.608 -5.746 5.202 1.00 0.00 C ATOM 241 OD1 ASP A 17 -2.810 -5.962 6.386 1.00 0.00 O ATOM 242 OD2 ASP A 17 -2.279 -6.603 4.400 1.00 0.00 O ATOM 243 H ASP A 17 -2.861 -1.814 4.421 1.00 0.00 H ATOM 244 HA ASP A 17 -1.623 -3.625 6.368 1.00 0.00 H ATOM 245 HB2 ASP A 17 -3.764 -3.952 4.960 1.00 0.00 H ATOM 246 HB3 ASP A 17 -2.681 -4.307 3.612 1.00 0.00 H ATOM 247 N CYS A 18 -0.083 -2.883 3.574 1.00 0.00 N ATOM 248 CA CYS A 18 1.221 -3.033 2.846 1.00 0.00 C ATOM 249 C CYS A 18 2.107 -1.799 3.087 1.00 0.00 C ATOM 250 O CYS A 18 1.877 -1.043 4.005 1.00 0.00 O ATOM 251 CB CYS A 18 0.827 -3.158 1.372 1.00 0.00 C ATOM 252 SG CYS A 18 -0.431 -4.447 1.208 1.00 0.00 S ATOM 253 H CYS A 18 -0.737 -2.222 3.269 1.00 0.00 H ATOM 254 HA CYS A 18 1.733 -3.929 3.168 1.00 0.00 H ATOM 255 HB2 CYS A 18 0.430 -2.215 1.024 1.00 0.00 H ATOM 256 HB3 CYS A 18 1.695 -3.423 0.786 1.00 0.00 H ATOM 257 N CYS A 19 3.123 -1.588 2.283 1.00 0.00 N ATOM 258 CA CYS A 19 4.006 -0.398 2.516 1.00 0.00 C ATOM 259 C CYS A 19 3.496 0.859 1.791 1.00 0.00 C ATOM 260 O CYS A 19 4.163 1.872 1.786 1.00 0.00 O ATOM 261 CB CYS A 19 5.392 -0.790 1.994 1.00 0.00 C ATOM 262 SG CYS A 19 6.577 -0.708 3.361 1.00 0.00 S ATOM 263 H CYS A 19 3.308 -2.206 1.544 1.00 0.00 H ATOM 264 HA CYS A 19 4.071 -0.199 3.573 1.00 0.00 H ATOM 265 HB2 CYS A 19 5.361 -1.791 1.596 1.00 0.00 H ATOM 266 HB3 CYS A 19 5.693 -0.099 1.218 1.00 0.00 H ATOM 267 N ASN A 20 2.328 0.818 1.187 1.00 0.00 N ATOM 268 CA ASN A 20 1.810 2.038 0.486 1.00 0.00 C ATOM 269 C ASN A 20 0.317 2.213 0.784 1.00 0.00 C ATOM 270 O ASN A 20 -0.050 2.911 1.699 1.00 0.00 O ATOM 271 CB ASN A 20 2.048 1.833 -1.025 1.00 0.00 C ATOM 272 CG ASN A 20 3.231 0.906 -1.279 1.00 0.00 C ATOM 273 OD1 ASN A 20 4.352 1.355 -1.410 1.00 0.00 O ATOM 274 ND2 ASN A 20 3.028 -0.372 -1.360 1.00 0.00 N ATOM 275 H ASN A 20 1.795 0.001 1.201 1.00 0.00 H ATOM 276 HA ASN A 20 2.349 2.910 0.822 1.00 0.00 H ATOM 277 HB2 ASN A 20 1.170 1.409 -1.472 1.00 0.00 H ATOM 278 HB3 ASN A 20 2.244 2.789 -1.485 1.00 0.00 H ATOM 279 HD21 ASN A 20 2.130 -0.732 -1.252 1.00 0.00 H ATOM 280 HD22 ASN A 20 3.771 -0.976 -1.548 1.00 0.00 H ATOM 281 N CYS A 21 -0.551 1.588 0.029 1.00 0.00 N ATOM 282 CA CYS A 21 -2.011 1.743 0.301 1.00 0.00 C ATOM 283 C CYS A 21 -2.807 0.614 -0.367 1.00 0.00 C ATOM 284 O CYS A 21 -2.283 -0.141 -1.163 1.00 0.00 O ATOM 285 CB CYS A 21 -2.388 3.105 -0.301 1.00 0.00 C ATOM 286 SG CYS A 21 -3.575 3.945 0.786 1.00 0.00 S ATOM 287 H CYS A 21 -0.249 1.017 -0.707 1.00 0.00 H ATOM 288 HA CYS A 21 -2.191 1.755 1.364 1.00 0.00 H ATOM 289 HB2 CYS A 21 -1.504 3.715 -0.398 1.00 0.00 H ATOM 290 HB3 CYS A 21 -2.830 2.960 -1.275 1.00 0.00 H ATOM 291 N CYS A 22 -4.072 0.504 -0.067 1.00 0.00 N ATOM 292 CA CYS A 22 -4.900 -0.558 -0.707 1.00 0.00 C ATOM 293 C CYS A 22 -6.119 0.098 -1.349 1.00 0.00 C ATOM 294 O CYS A 22 -7.117 0.327 -0.696 1.00 0.00 O ATOM 295 CB CYS A 22 -5.318 -1.508 0.421 1.00 0.00 C ATOM 296 SG CYS A 22 -5.404 -3.203 -0.217 1.00 0.00 S ATOM 297 H CYS A 22 -4.482 1.129 0.563 1.00 0.00 H ATOM 298 HA CYS A 22 -4.326 -1.090 -1.447 1.00 0.00 H ATOM 299 HB2 CYS A 22 -4.596 -1.463 1.223 1.00 0.00 H ATOM 300 HB3 CYS A 22 -6.288 -1.214 0.797 1.00 0.00 H ATOM 301 N LEU A 23 -6.043 0.415 -2.612 1.00 0.00 N ATOM 302 CA LEU A 23 -7.199 1.077 -3.282 1.00 0.00 C ATOM 303 C LEU A 23 -8.095 0.022 -3.930 1.00 0.00 C ATOM 304 O LEU A 23 -7.837 -1.146 -3.803 1.00 0.00 O ATOM 305 CB LEU A 23 -6.580 1.996 -4.333 1.00 0.00 C ATOM 306 CG LEU A 23 -6.792 3.460 -3.933 1.00 0.00 C ATOM 307 CD1 LEU A 23 -5.983 3.765 -2.673 1.00 0.00 C ATOM 308 CD2 LEU A 23 -6.319 4.373 -5.067 1.00 0.00 C ATOM 309 H LEU A 23 -5.228 0.218 -3.122 1.00 0.00 H ATOM 310 HA LEU A 23 -7.762 1.659 -2.565 1.00 0.00 H ATOM 311 HB2 LEU A 23 -5.519 1.793 -4.406 1.00 0.00 H ATOM 312 HB3 LEU A 23 -7.046 1.811 -5.286 1.00 0.00 H ATOM 313 HG LEU A 23 -7.840 3.636 -3.741 1.00 0.00 H ATOM 314 HD11 LEU A 23 -6.290 3.099 -1.882 1.00 0.00 H ATOM 315 HD12 LEU A 23 -6.156 4.788 -2.369 1.00 0.00 H ATOM 316 HD13 LEU A 23 -4.933 3.622 -2.879 1.00 0.00 H ATOM 317 HD21 LEU A 23 -6.922 4.200 -5.946 1.00 0.00 H ATOM 318 HD22 LEU A 23 -5.284 4.154 -5.292 1.00 0.00 H ATOM 319 HD23 LEU A 23 -6.408 5.407 -4.764 1.00 0.00 H ATOM 320 N SER A 24 -9.131 0.456 -4.615 1.00 0.00 N ATOM 321 CA SER A 24 -10.127 -0.465 -5.301 1.00 0.00 C ATOM 322 C SER A 24 -9.886 -1.984 -5.056 1.00 0.00 C ATOM 323 O SER A 24 -9.747 -2.762 -5.981 1.00 0.00 O ATOM 324 CB SER A 24 -9.964 -0.148 -6.788 1.00 0.00 C ATOM 325 OG SER A 24 -9.895 1.265 -6.963 1.00 0.00 O ATOM 326 H SER A 24 -9.278 1.424 -4.674 1.00 0.00 H ATOM 327 HA SER A 24 -11.125 -0.201 -4.998 1.00 0.00 H ATOM 328 HB2 SER A 24 -9.060 -0.602 -7.163 1.00 0.00 H ATOM 329 HB3 SER A 24 -10.811 -0.546 -7.329 1.00 0.00 H ATOM 330 HG SER A 24 -10.777 1.572 -7.182 1.00 0.00 H ATOM 331 N GLY A 25 -9.882 -2.405 -3.813 1.00 0.00 N ATOM 332 CA GLY A 25 -9.690 -3.854 -3.477 1.00 0.00 C ATOM 333 C GLY A 25 -8.273 -4.370 -3.808 1.00 0.00 C ATOM 334 O GLY A 25 -8.100 -5.560 -3.951 1.00 0.00 O ATOM 335 H GLY A 25 -10.025 -1.762 -3.093 1.00 0.00 H ATOM 336 HA2 GLY A 25 -9.873 -3.994 -2.422 1.00 0.00 H ATOM 337 HA3 GLY A 25 -10.408 -4.439 -4.035 1.00 0.00 H ATOM 338 N ILE A 26 -7.269 -3.525 -3.924 1.00 0.00 N ATOM 339 CA ILE A 26 -5.880 -4.034 -4.230 1.00 0.00 C ATOM 340 C ILE A 26 -4.847 -3.271 -3.403 1.00 0.00 C ATOM 341 O ILE A 26 -5.017 -2.104 -3.125 1.00 0.00 O ATOM 342 CB ILE A 26 -5.608 -3.771 -5.723 1.00 0.00 C ATOM 343 CG1 ILE A 26 -6.904 -3.802 -6.538 1.00 0.00 C ATOM 344 CG2 ILE A 26 -4.640 -4.836 -6.257 1.00 0.00 C ATOM 345 CD1 ILE A 26 -7.369 -5.247 -6.744 1.00 0.00 C ATOM 346 H ILE A 26 -7.418 -2.561 -3.797 1.00 0.00 H ATOM 347 HA ILE A 26 -5.812 -5.092 -4.024 1.00 0.00 H ATOM 348 HB ILE A 26 -5.146 -2.797 -5.826 1.00 0.00 H ATOM 349 HG12 ILE A 26 -7.665 -3.246 -6.009 1.00 0.00 H ATOM 350 HG13 ILE A 26 -6.731 -3.340 -7.498 1.00 0.00 H ATOM 351 HG21 ILE A 26 -4.667 -4.837 -7.337 1.00 0.00 H ATOM 352 HG22 ILE A 26 -4.933 -5.811 -5.890 1.00 0.00 H ATOM 353 HG23 ILE A 26 -3.637 -4.610 -5.924 1.00 0.00 H ATOM 354 HD11 ILE A 26 -7.015 -5.607 -7.699 1.00 0.00 H ATOM 355 HD12 ILE A 26 -8.447 -5.286 -6.719 1.00 0.00 H ATOM 356 HD13 ILE A 26 -6.969 -5.870 -5.959 1.00 0.00 H ATOM 357 N CYS A 27 -3.767 -3.917 -3.026 1.00 0.00 N ATOM 358 CA CYS A 27 -2.713 -3.213 -2.230 1.00 0.00 C ATOM 359 C CYS A 27 -1.595 -2.721 -3.151 1.00 0.00 C ATOM 360 O CYS A 27 -0.813 -3.500 -3.647 1.00 0.00 O ATOM 361 CB CYS A 27 -2.181 -4.257 -1.246 1.00 0.00 C ATOM 362 SG CYS A 27 -2.006 -3.493 0.383 1.00 0.00 S ATOM 363 H CYS A 27 -3.641 -4.866 -3.276 1.00 0.00 H ATOM 364 HA CYS A 27 -3.134 -2.384 -1.690 1.00 0.00 H ATOM 365 HB2 CYS A 27 -2.872 -5.083 -1.184 1.00 0.00 H ATOM 366 HB3 CYS A 27 -1.215 -4.616 -1.579 1.00 0.00 H ATOM 367 N ALA A 28 -1.520 -1.434 -3.377 1.00 0.00 N ATOM 368 CA ALA A 28 -0.450 -0.881 -4.267 1.00 0.00 C ATOM 369 C ALA A 28 -0.198 0.602 -3.936 1.00 0.00 C ATOM 370 O ALA A 28 -0.986 1.224 -3.245 1.00 0.00 O ATOM 371 CB ALA A 28 -0.998 -1.027 -5.692 1.00 0.00 C ATOM 372 H ALA A 28 -2.168 -0.827 -2.956 1.00 0.00 H ATOM 373 HA ALA A 28 0.459 -1.455 -4.164 1.00 0.00 H ATOM 374 HB1 ALA A 28 -0.759 -2.010 -6.069 1.00 0.00 H ATOM 375 HB2 ALA A 28 -0.547 -0.280 -6.328 1.00 0.00 H ATOM 376 HB3 ALA A 28 -2.068 -0.893 -5.680 1.00 0.00 H HETATM 377 N HYP A 29 0.890 1.125 -4.450 1.00 0.00 N HETATM 378 CA HYP A 29 1.234 2.552 -4.215 1.00 0.00 C HETATM 379 C HYP A 29 0.259 3.462 -4.971 1.00 0.00 C HETATM 380 O HYP A 29 -0.304 3.076 -5.978 1.00 0.00 O HETATM 381 CB HYP A 29 2.651 2.675 -4.770 1.00 0.00 C HETATM 382 CG HYP A 29 2.777 1.577 -5.778 1.00 0.00 C HETATM 383 CD HYP A 29 1.897 0.453 -5.287 1.00 0.00 C HETATM 384 OD1 HYP A 29 2.385 2.013 -7.084 1.00 0.00 O HETATM 385 HA HYP A 29 1.223 2.777 -3.160 1.00 0.00 H HETATM 386 HB2 HYP A 29 3.375 2.538 -3.983 1.00 0.00 H HETATM 387 HB3 HYP A 29 2.786 3.639 -5.243 1.00 0.00 H HETATM 388 HG HYP A 29 3.802 1.235 -5.796 1.00 0.00 H HETATM 389 HD22 HYP A 29 1.425 -0.053 -6.123 1.00 0.00 H HETATM 390 HD23 HYP A 29 2.468 -0.246 -4.696 1.00 0.00 H HETATM 391 HD1 HYP A 29 2.686 1.374 -7.739 1.00 0.00 H ATOM 392 N SER A 30 0.049 4.664 -4.497 1.00 0.00 N ATOM 393 CA SER A 30 -0.899 5.587 -5.195 1.00 0.00 C ATOM 394 C SER A 30 -0.591 7.054 -4.847 1.00 0.00 C ATOM 395 O SER A 30 0.184 7.703 -5.523 1.00 0.00 O ATOM 396 CB SER A 30 -2.296 5.181 -4.707 1.00 0.00 C ATOM 397 OG SER A 30 -2.774 4.068 -5.464 1.00 0.00 O ATOM 398 H SER A 30 0.512 4.963 -3.686 1.00 0.00 H ATOM 399 HA SER A 30 -0.836 5.444 -6.261 1.00 0.00 H ATOM 400 HB2 SER A 30 -2.252 4.908 -3.665 1.00 0.00 H ATOM 401 HB3 SER A 30 -2.970 6.021 -4.827 1.00 0.00 H ATOM 402 HG SER A 30 -2.016 3.547 -5.757 1.00 0.00 H ATOM 403 N THR A 31 -1.194 7.585 -3.813 1.00 0.00 N ATOM 404 CA THR A 31 -0.940 9.017 -3.450 1.00 0.00 C ATOM 405 C THR A 31 -0.497 9.135 -1.983 1.00 0.00 C ATOM 406 O THR A 31 -0.884 10.049 -1.277 1.00 0.00 O ATOM 407 CB THR A 31 -2.284 9.737 -3.672 1.00 0.00 C ATOM 408 OG1 THR A 31 -3.144 8.929 -4.472 1.00 0.00 O ATOM 409 CG2 THR A 31 -2.041 11.071 -4.379 1.00 0.00 C ATOM 410 H THR A 31 -1.824 7.055 -3.283 1.00 0.00 H ATOM 411 HA THR A 31 -0.189 9.436 -4.098 1.00 0.00 H ATOM 412 HB THR A 31 -2.754 9.924 -2.718 1.00 0.00 H ATOM 413 HG1 THR A 31 -4.035 9.296 -4.416 1.00 0.00 H ATOM 414 HG21 THR A 31 -1.391 11.684 -3.776 1.00 0.00 H ATOM 415 HG22 THR A 31 -2.984 11.580 -4.523 1.00 0.00 H ATOM 416 HG23 THR A 31 -1.579 10.892 -5.340 1.00 0.00 H ATOM 417 N ASN A 32 0.321 8.227 -1.522 1.00 0.00 N ATOM 418 CA ASN A 32 0.796 8.291 -0.105 1.00 0.00 C ATOM 419 C ASN A 32 2.130 7.542 0.028 1.00 0.00 C ATOM 420 O ASN A 32 2.661 7.032 -0.944 1.00 0.00 O ATOM 421 CB ASN A 32 -0.320 7.636 0.732 1.00 0.00 C ATOM 422 CG ASN A 32 -0.151 6.110 0.759 1.00 0.00 C ATOM 423 OD1 ASN A 32 -0.113 5.470 -0.276 1.00 0.00 O ATOM 424 ND2 ASN A 32 -0.044 5.495 1.903 1.00 0.00 N ATOM 425 H ASN A 32 0.634 7.505 -2.106 1.00 0.00 H ATOM 426 HA ASN A 32 0.925 9.325 0.196 1.00 0.00 H ATOM 427 HB2 ASN A 32 -0.278 8.019 1.742 1.00 0.00 H ATOM 428 HB3 ASN A 32 -1.281 7.881 0.301 1.00 0.00 H ATOM 429 HD21 ASN A 32 -0.076 6.002 2.742 1.00 0.00 H ATOM 430 HD22 ASN A 32 0.060 4.517 1.923 1.00 0.00 H ATOM 431 N TRP A 33 2.682 7.490 1.212 1.00 0.00 N ATOM 432 CA TRP A 33 3.999 6.799 1.408 1.00 0.00 C ATOM 433 C TRP A 33 3.994 5.993 2.708 1.00 0.00 C ATOM 434 O TRP A 33 3.965 4.780 2.705 1.00 0.00 O ATOM 435 CB TRP A 33 5.078 7.910 1.501 1.00 0.00 C ATOM 436 CG TRP A 33 4.480 9.271 1.282 1.00 0.00 C ATOM 437 CD1 TRP A 33 4.055 10.106 2.258 1.00 0.00 C ATOM 438 CD2 TRP A 33 4.223 9.946 0.023 1.00 0.00 C ATOM 439 NE1 TRP A 33 3.547 11.250 1.672 1.00 0.00 N ATOM 440 CE2 TRP A 33 3.634 11.204 0.296 1.00 0.00 C ATOM 441 CE3 TRP A 33 4.444 9.596 -1.315 1.00 0.00 C ATOM 442 CZ2 TRP A 33 3.273 12.078 -0.730 1.00 0.00 C ATOM 443 CZ3 TRP A 33 4.084 10.467 -2.350 1.00 0.00 C ATOM 444 CH2 TRP A 33 3.498 11.710 -2.060 1.00 0.00 C ATOM 445 H TRP A 33 2.243 7.923 1.971 1.00 0.00 H ATOM 446 HA TRP A 33 4.212 6.154 0.569 1.00 0.00 H ATOM 447 HB2 TRP A 33 5.531 7.879 2.486 1.00 0.00 H ATOM 448 HB3 TRP A 33 5.838 7.730 0.756 1.00 0.00 H ATOM 449 HD1 TRP A 33 4.098 9.912 3.319 1.00 0.00 H ATOM 450 HE1 TRP A 33 3.169 12.014 2.157 1.00 0.00 H ATOM 451 HE3 TRP A 33 4.894 8.640 -1.547 1.00 0.00 H ATOM 452 HZ2 TRP A 33 2.826 13.036 -0.497 1.00 0.00 H ATOM 453 HZ3 TRP A 33 4.256 10.178 -3.374 1.00 0.00 H ATOM 454 HH2 TRP A 33 3.221 12.378 -2.860 1.00 0.00 H ATOM 455 N ILE A 34 4.041 6.677 3.819 1.00 0.00 N ATOM 456 CA ILE A 34 4.065 5.988 5.143 1.00 0.00 C ATOM 457 C ILE A 34 2.812 6.332 5.968 1.00 0.00 C ATOM 458 O ILE A 34 2.556 5.727 6.991 1.00 0.00 O ATOM 459 CB ILE A 34 5.344 6.491 5.849 1.00 0.00 C ATOM 460 CG1 ILE A 34 5.678 7.934 5.431 1.00 0.00 C ATOM 461 CG2 ILE A 34 6.520 5.585 5.490 1.00 0.00 C ATOM 462 CD1 ILE A 34 6.871 8.442 6.232 1.00 0.00 C ATOM 463 H ILE A 34 4.072 7.653 3.781 1.00 0.00 H ATOM 464 HA ILE A 34 4.127 4.922 5.000 1.00 0.00 H ATOM 465 HB ILE A 34 5.190 6.460 6.911 1.00 0.00 H ATOM 466 HG12 ILE A 34 5.922 7.958 4.379 1.00 0.00 H ATOM 467 HG13 ILE A 34 4.826 8.569 5.620 1.00 0.00 H ATOM 468 HG21 ILE A 34 6.350 4.598 5.894 1.00 0.00 H ATOM 469 HG22 ILE A 34 7.428 5.993 5.907 1.00 0.00 H ATOM 470 HG23 ILE A 34 6.612 5.524 4.417 1.00 0.00 H ATOM 471 HD11 ILE A 34 6.654 8.366 7.286 1.00 0.00 H ATOM 472 HD12 ILE A 34 7.059 9.474 5.977 1.00 0.00 H ATOM 473 HD13 ILE A 34 7.742 7.848 5.997 1.00 0.00 H ATOM 474 N LEU A 35 2.030 7.282 5.525 1.00 0.00 N ATOM 475 CA LEU A 35 0.795 7.651 6.276 1.00 0.00 C ATOM 476 C LEU A 35 -0.337 6.688 5.900 1.00 0.00 C ATOM 477 O LEU A 35 -0.606 6.482 4.730 1.00 0.00 O ATOM 478 CB LEU A 35 0.466 9.082 5.825 1.00 0.00 C ATOM 479 CG LEU A 35 -0.779 9.588 6.563 1.00 0.00 C ATOM 480 CD1 LEU A 35 -0.540 11.016 7.054 1.00 0.00 C ATOM 481 CD2 LEU A 35 -1.978 9.577 5.613 1.00 0.00 C ATOM 482 H LEU A 35 2.247 7.749 4.695 1.00 0.00 H ATOM 483 HA LEU A 35 0.979 7.628 7.337 1.00 0.00 H ATOM 484 HB2 LEU A 35 1.304 9.727 6.050 1.00 0.00 H ATOM 485 HB3 LEU A 35 0.280 9.091 4.762 1.00 0.00 H ATOM 486 HG LEU A 35 -0.980 8.948 7.408 1.00 0.00 H ATOM 487 HD11 LEU A 35 -0.232 11.637 6.223 1.00 0.00 H ATOM 488 HD12 LEU A 35 0.234 11.014 7.808 1.00 0.00 H ATOM 489 HD13 LEU A 35 -1.454 11.407 7.475 1.00 0.00 H ATOM 490 HD21 LEU A 35 -2.032 8.623 5.111 1.00 0.00 H ATOM 491 HD22 LEU A 35 -1.866 10.364 4.880 1.00 0.00 H ATOM 492 HD23 LEU A 35 -2.885 9.738 6.177 1.00 0.00 H ATOM 493 N PRO A 36 -0.966 6.126 6.906 1.00 0.00 N ATOM 494 CA PRO A 36 -2.080 5.177 6.669 1.00 0.00 C ATOM 495 C PRO A 36 -3.349 5.931 6.236 1.00 0.00 C ATOM 496 O PRO A 36 -4.312 6.031 6.974 1.00 0.00 O ATOM 497 CB PRO A 36 -2.269 4.501 8.030 1.00 0.00 C ATOM 498 CG PRO A 36 -1.741 5.477 9.035 1.00 0.00 C ATOM 499 CD PRO A 36 -0.696 6.315 8.341 1.00 0.00 C ATOM 500 HA PRO A 36 -1.803 4.446 5.926 1.00 0.00 H ATOM 501 HB2 PRO A 36 -3.317 4.306 8.208 1.00 0.00 H ATOM 502 HB3 PRO A 36 -1.702 3.584 8.077 1.00 0.00 H ATOM 503 HG2 PRO A 36 -2.544 6.107 9.398 1.00 0.00 H ATOM 504 HG3 PRO A 36 -1.290 4.945 9.859 1.00 0.00 H ATOM 505 HD2 PRO A 36 -0.806 7.354 8.615 1.00 0.00 H ATOM 506 HD3 PRO A 36 0.297 5.960 8.583 1.00 0.00 H ATOM 507 N GLY A 37 -3.353 6.457 5.044 1.00 0.00 N ATOM 508 CA GLY A 37 -4.547 7.206 4.546 1.00 0.00 C ATOM 509 C GLY A 37 -4.549 7.208 3.014 1.00 0.00 C ATOM 510 O GLY A 37 -3.511 7.099 2.386 1.00 0.00 O ATOM 511 H GLY A 37 -2.563 6.360 4.468 1.00 0.00 H ATOM 512 HA2 GLY A 37 -5.447 6.728 4.903 1.00 0.00 H ATOM 513 HA3 GLY A 37 -4.511 8.222 4.909 1.00 0.00 H ATOM 514 N CYS A 38 -5.701 7.335 2.407 1.00 0.00 N ATOM 515 CA CYS A 38 -5.771 7.349 0.913 1.00 0.00 C ATOM 516 C CYS A 38 -6.986 8.183 0.452 1.00 0.00 C ATOM 517 O CYS A 38 -7.250 9.200 1.074 1.00 0.00 O ATOM 518 CB CYS A 38 -5.915 5.870 0.515 1.00 0.00 C ATOM 519 SG CYS A 38 -4.437 5.341 -0.397 1.00 0.00 S ATOM 520 OXT CYS A 38 -7.623 7.806 -0.516 1.00 0.00 O ATOM 521 H CYS A 38 -6.524 7.430 2.932 1.00 0.00 H ATOM 522 HA CYS A 38 -4.861 7.756 0.499 1.00 0.00 H ATOM 523 HB2 CYS A 38 -6.027 5.267 1.401 1.00 0.00 H ATOM 524 HB3 CYS A 38 -6.789 5.750 -0.112 1.00 0.00 H TER 525 CYS A 38