ATOM 1 N VAL A 22 12.433 -1.390 -9.383 1.00 1.34 N ATOM 2 CA VAL A 22 11.106 -2.025 -9.374 1.00 1.17 C ATOM 3 C VAL A 22 10.080 -0.908 -9.484 1.00 1.01 C ATOM 4 O VAL A 22 10.334 0.181 -8.974 1.00 1.23 O ATOM 5 CB VAL A 22 10.894 -2.868 -8.101 1.00 1.06 C ATOM 6 CG1 VAL A 22 9.461 -3.403 -8.003 1.00 1.45 C ATOM 7 CG2 VAL A 22 11.846 -4.068 -8.055 1.00 1.24 C ATOM 8 H1 VAL A 22 12.464 -0.745 -10.160 1.00 1.44 H ATOM 9 H2 VAL A 22 12.511 -0.848 -8.533 1.00 1.39 H ATOM 10 H3 VAL A 22 13.169 -2.075 -9.454 1.00 1.42 H ATOM 11 HA VAL A 22 11.021 -2.666 -10.254 1.00 1.61 H ATOM 12 HB VAL A 22 11.084 -2.249 -7.222 1.00 1.08 H ATOM 13 HG11 VAL A 22 9.130 -3.809 -8.960 1.00 2.18 H ATOM 14 HG12 VAL A 22 9.395 -4.187 -7.250 1.00 2.38 H ATOM 15 HG13 VAL A 22 8.799 -2.595 -7.702 1.00 1.67 H ATOM 16 HG21 VAL A 22 11.680 -4.612 -7.124 1.00 2.10 H ATOM 17 HG22 VAL A 22 11.645 -4.732 -8.897 1.00 1.57 H ATOM 18 HG23 VAL A 22 12.885 -3.744 -8.084 1.00 1.96 H ATOM 19 N ASP A 23 8.978 -1.164 -10.180 1.00 0.91 N ATOM 20 CA ASP A 23 7.922 -0.204 -10.425 1.00 0.89 C ATOM 21 C ASP A 23 7.175 0.027 -9.115 1.00 1.05 C ATOM 22 O ASP A 23 7.255 -0.786 -8.199 1.00 2.19 O ATOM 23 CB ASP A 23 6.955 -0.794 -11.463 1.00 1.18 C ATOM 24 CG ASP A 23 7.659 -1.458 -12.641 1.00 2.26 C ATOM 25 OD1 ASP A 23 8.350 -2.469 -12.369 1.00 3.90 O ATOM 26 OD2 ASP A 23 7.510 -0.943 -13.766 1.00 2.29 O ATOM 27 H ASP A 23 8.885 -2.036 -10.704 1.00 1.02 H ATOM 28 HA ASP A 23 8.349 0.726 -10.804 1.00 0.89 H ATOM 29 HB2 ASP A 23 6.370 -1.567 -10.967 1.00 1.83 H ATOM 30 HB3 ASP A 23 6.280 -0.020 -11.830 1.00 1.08 H ATOM 31 N ALA A 24 6.428 1.123 -9.021 1.00 0.30 N ATOM 32 CA ALA A 24 5.564 1.365 -7.877 1.00 0.27 C ATOM 33 C ALA A 24 4.116 1.135 -8.290 1.00 0.22 C ATOM 34 O ALA A 24 3.450 0.230 -7.788 1.00 0.26 O ATOM 35 CB ALA A 24 5.800 2.773 -7.346 1.00 0.40 C ATOM 36 H ALA A 24 6.396 1.757 -9.805 1.00 1.10 H ATOM 37 HA ALA A 24 5.785 0.677 -7.057 1.00 0.27 H ATOM 38 HB1 ALA A 24 6.839 2.885 -7.036 1.00 1.64 H ATOM 39 HB2 ALA A 24 5.565 3.527 -8.098 1.00 1.68 H ATOM 40 HB3 ALA A 24 5.155 2.897 -6.482 1.00 1.30 H ATOM 41 N GLU A 25 3.638 1.939 -9.242 1.00 0.22 N ATOM 42 CA GLU A 25 2.285 1.811 -9.746 1.00 0.19 C ATOM 43 C GLU A 25 2.012 0.392 -10.247 1.00 0.17 C ATOM 44 O GLU A 25 1.005 -0.189 -9.865 1.00 0.18 O ATOM 45 CB GLU A 25 1.967 2.895 -10.779 1.00 0.28 C ATOM 46 CG GLU A 25 2.929 2.926 -11.964 1.00 1.25 C ATOM 47 CD GLU A 25 2.580 4.039 -12.945 1.00 1.63 C ATOM 48 OE1 GLU A 25 1.407 4.469 -12.926 1.00 1.99 O ATOM 49 OE2 GLU A 25 3.500 4.442 -13.685 1.00 2.76 O ATOM 50 H GLU A 25 4.217 2.671 -9.621 1.00 0.31 H ATOM 51 HA GLU A 25 1.615 1.988 -8.911 1.00 0.21 H ATOM 52 HB2 GLU A 25 0.950 2.743 -11.145 1.00 1.21 H ATOM 53 HB3 GLU A 25 2.017 3.875 -10.312 1.00 1.19 H ATOM 54 HG2 GLU A 25 3.945 3.083 -11.612 1.00 1.82 H ATOM 55 HG3 GLU A 25 2.864 1.987 -12.499 1.00 1.93 H ATOM 56 N ALA A 26 2.901 -0.190 -11.060 1.00 0.22 N ATOM 57 CA ALA A 26 2.668 -1.516 -11.631 1.00 0.29 C ATOM 58 C ALA A 26 2.514 -2.571 -10.531 1.00 0.30 C ATOM 59 O ALA A 26 1.644 -3.435 -10.601 1.00 0.34 O ATOM 60 CB ALA A 26 3.781 -1.903 -12.607 1.00 0.42 C ATOM 61 H ALA A 26 3.712 0.337 -11.347 1.00 0.34 H ATOM 62 HA ALA A 26 1.742 -1.466 -12.203 1.00 0.33 H ATOM 63 HB1 ALA A 26 4.642 -2.289 -12.068 1.00 1.16 H ATOM 64 HB2 ALA A 26 3.418 -2.691 -13.267 1.00 1.50 H ATOM 65 HB3 ALA A 26 4.081 -1.045 -13.211 1.00 1.56 H ATOM 66 N VAL A 27 3.353 -2.483 -9.496 1.00 0.30 N ATOM 67 CA VAL A 27 3.258 -3.346 -8.332 1.00 0.32 C ATOM 68 C VAL A 27 1.894 -3.146 -7.687 1.00 0.27 C ATOM 69 O VAL A 27 1.146 -4.105 -7.547 1.00 0.31 O ATOM 70 CB VAL A 27 4.402 -3.027 -7.357 1.00 0.39 C ATOM 71 CG1 VAL A 27 4.265 -3.755 -6.018 1.00 0.39 C ATOM 72 CG2 VAL A 27 5.751 -3.406 -7.971 1.00 0.47 C ATOM 73 H VAL A 27 4.018 -1.724 -9.474 1.00 0.30 H ATOM 74 HA VAL A 27 3.310 -4.394 -8.648 1.00 0.36 H ATOM 75 HB VAL A 27 4.411 -1.959 -7.147 1.00 0.40 H ATOM 76 HG11 VAL A 27 5.021 -3.364 -5.343 1.00 1.34 H ATOM 77 HG12 VAL A 27 3.292 -3.588 -5.558 1.00 1.24 H ATOM 78 HG13 VAL A 27 4.430 -4.821 -6.161 1.00 1.47 H ATOM 79 HG21 VAL A 27 5.812 -4.485 -8.115 1.00 1.61 H ATOM 80 HG22 VAL A 27 5.893 -2.910 -8.930 1.00 1.78 H ATOM 81 HG23 VAL A 27 6.540 -3.088 -7.292 1.00 1.40 H ATOM 82 N VAL A 28 1.547 -1.917 -7.296 1.00 0.21 N ATOM 83 CA VAL A 28 0.269 -1.657 -6.641 1.00 0.20 C ATOM 84 C VAL A 28 -0.890 -2.204 -7.472 1.00 0.18 C ATOM 85 O VAL A 28 -1.730 -2.937 -6.938 1.00 0.19 O ATOM 86 CB VAL A 28 0.146 -0.159 -6.322 1.00 0.24 C ATOM 87 CG1 VAL A 28 -1.269 0.276 -5.887 1.00 0.30 C ATOM 88 CG2 VAL A 28 1.211 0.193 -5.273 1.00 0.33 C ATOM 89 H VAL A 28 2.187 -1.143 -7.463 1.00 0.20 H ATOM 90 HA VAL A 28 0.262 -2.221 -5.713 1.00 0.26 H ATOM 91 HB VAL A 28 0.377 0.395 -7.234 1.00 0.25 H ATOM 92 HG11 VAL A 28 -1.971 -0.548 -5.904 1.00 1.59 H ATOM 93 HG12 VAL A 28 -1.288 0.701 -4.885 1.00 1.68 H ATOM 94 HG13 VAL A 28 -1.629 1.030 -6.586 1.00 1.51 H ATOM 95 HG21 VAL A 28 1.980 0.812 -5.731 1.00 1.49 H ATOM 96 HG22 VAL A 28 0.784 0.730 -4.428 1.00 1.38 H ATOM 97 HG23 VAL A 28 1.691 -0.706 -4.888 1.00 1.61 H ATOM 98 N GLN A 29 -0.880 -1.891 -8.769 1.00 0.20 N ATOM 99 CA GLN A 29 -1.805 -2.359 -9.791 1.00 0.29 C ATOM 100 C GLN A 29 -1.952 -3.884 -9.821 1.00 0.34 C ATOM 101 O GLN A 29 -2.916 -4.374 -10.406 1.00 0.45 O ATOM 102 CB GLN A 29 -1.372 -1.845 -11.169 1.00 0.37 C ATOM 103 CG GLN A 29 -1.625 -0.342 -11.369 1.00 0.42 C ATOM 104 CD GLN A 29 -3.062 -0.047 -11.785 1.00 0.55 C ATOM 105 OE1 GLN A 29 -3.390 -0.085 -12.966 1.00 0.77 O ATOM 106 NE2 GLN A 29 -3.934 0.259 -10.828 1.00 0.47 N ATOM 107 H GLN A 29 -0.116 -1.310 -9.086 1.00 0.19 H ATOM 108 HA GLN A 29 -2.779 -1.935 -9.581 1.00 0.30 H ATOM 109 HB2 GLN A 29 -0.312 -2.044 -11.299 1.00 0.32 H ATOM 110 HB3 GLN A 29 -1.908 -2.406 -11.937 1.00 0.47 H ATOM 111 HG2 GLN A 29 -1.382 0.220 -10.468 1.00 0.37 H ATOM 112 HG3 GLN A 29 -0.972 0.008 -12.170 1.00 0.46 H ATOM 113 HE21 GLN A 29 -3.649 0.313 -9.864 1.00 0.36 H ATOM 114 HE22 GLN A 29 -4.877 0.502 -11.093 1.00 0.57 H ATOM 115 N GLN A 30 -1.040 -4.638 -9.200 1.00 0.31 N ATOM 116 CA GLN A 30 -1.176 -6.077 -9.060 1.00 0.39 C ATOM 117 C GLN A 30 -0.759 -6.557 -7.659 1.00 0.42 C ATOM 118 O GLN A 30 -0.284 -7.684 -7.518 1.00 0.68 O ATOM 119 CB GLN A 30 -0.361 -6.755 -10.169 1.00 0.42 C ATOM 120 CG GLN A 30 -0.914 -8.155 -10.456 1.00 0.95 C ATOM 121 CD GLN A 30 0.072 -9.043 -11.204 1.00 1.62 C ATOM 122 OE1 GLN A 30 0.955 -8.566 -11.907 1.00 2.62 O ATOM 123 NE2 GLN A 30 -0.061 -10.357 -11.045 1.00 2.35 N ATOM 124 H GLN A 30 -0.221 -4.207 -8.787 1.00 0.27 H ATOM 125 HA GLN A 30 -2.227 -6.335 -9.191 1.00 0.50 H ATOM 126 HB2 GLN A 30 -0.424 -6.175 -11.091 1.00 1.11 H ATOM 127 HB3 GLN A 30 0.685 -6.806 -9.864 1.00 1.04 H ATOM 128 HG2 GLN A 30 -1.159 -8.645 -9.518 1.00 1.86 H ATOM 129 HG3 GLN A 30 -1.826 -8.053 -11.043 1.00 1.85 H ATOM 130 HE21 GLN A 30 -0.799 -10.730 -10.467 1.00 2.77 H ATOM 131 HE22 GLN A 30 0.578 -10.964 -11.534 1.00 3.03 H ATOM 132 N LYS A 31 -0.927 -5.733 -6.618 1.00 0.36 N ATOM 133 CA LYS A 31 -0.632 -6.123 -5.238 1.00 0.39 C ATOM 134 C LYS A 31 -1.586 -5.452 -4.264 1.00 0.36 C ATOM 135 O LYS A 31 -2.088 -6.109 -3.359 1.00 0.57 O ATOM 136 CB LYS A 31 0.809 -5.782 -4.812 1.00 0.51 C ATOM 137 CG LYS A 31 1.920 -6.498 -5.587 1.00 1.31 C ATOM 138 CD LYS A 31 1.956 -8.011 -5.354 1.00 1.27 C ATOM 139 CE LYS A 31 3.075 -8.600 -6.222 1.00 0.80 C ATOM 140 NZ LYS A 31 3.024 -10.071 -6.272 1.00 2.17 N ATOM 141 H LYS A 31 -1.285 -4.802 -6.802 1.00 0.52 H ATOM 142 HA LYS A 31 -0.793 -7.195 -5.121 1.00 0.43 H ATOM 143 HB2 LYS A 31 0.959 -4.706 -4.900 1.00 0.80 H ATOM 144 HB3 LYS A 31 0.925 -6.039 -3.759 1.00 0.40 H ATOM 145 HG2 LYS A 31 1.820 -6.285 -6.650 1.00 3.17 H ATOM 146 HG3 LYS A 31 2.872 -6.094 -5.245 1.00 2.70 H ATOM 147 HD2 LYS A 31 2.152 -8.209 -4.297 1.00 2.54 H ATOM 148 HD3 LYS A 31 0.999 -8.454 -5.626 1.00 3.07 H ATOM 149 HE2 LYS A 31 2.997 -8.215 -7.241 1.00 1.41 H ATOM 150 HE3 LYS A 31 4.036 -8.295 -5.810 1.00 1.49 H ATOM 151 HZ1 LYS A 31 2.176 -10.365 -6.736 1.00 3.41 H ATOM 152 HZ2 LYS A 31 3.824 -10.410 -6.789 1.00 2.52 H ATOM 153 HZ3 LYS A 31 3.053 -10.447 -5.335 1.00 2.64 H ATOM 154 N CYS A 32 -1.780 -4.136 -4.389 1.00 0.24 N ATOM 155 CA CYS A 32 -2.580 -3.384 -3.439 1.00 0.20 C ATOM 156 C CYS A 32 -4.011 -3.295 -3.937 1.00 0.21 C ATOM 157 O CYS A 32 -4.955 -3.591 -3.199 1.00 0.21 O ATOM 158 CB CYS A 32 -1.977 -2.005 -3.150 1.00 0.21 C ATOM 159 SG CYS A 32 -0.155 -2.005 -3.063 1.00 0.21 S ATOM 160 H CYS A 32 -1.387 -3.644 -5.181 1.00 0.30 H ATOM 161 HA CYS A 32 -2.632 -3.914 -2.503 1.00 0.17 H ATOM 162 HB2 CYS A 32 -2.283 -1.311 -3.923 1.00 0.30 H ATOM 163 HB3 CYS A 32 -2.400 -1.653 -2.211 1.00 0.19 H ATOM 164 N ILE A 33 -4.163 -2.931 -5.213 1.00 0.23 N ATOM 165 CA ILE A 33 -5.479 -2.774 -5.810 1.00 0.22 C ATOM 166 C ILE A 33 -6.299 -4.053 -5.705 1.00 0.22 C ATOM 167 O ILE A 33 -7.526 -3.996 -5.658 1.00 0.20 O ATOM 168 CB ILE A 33 -5.385 -2.270 -7.254 1.00 0.32 C ATOM 169 CG1 ILE A 33 -4.850 -3.250 -8.305 1.00 0.43 C ATOM 170 CG2 ILE A 33 -4.558 -0.980 -7.289 1.00 0.35 C ATOM 171 CD1 ILE A 33 -5.803 -4.360 -8.749 1.00 0.40 C ATOM 172 H ILE A 33 -3.339 -2.755 -5.779 1.00 0.22 H ATOM 173 HA ILE A 33 -5.995 -2.010 -5.220 1.00 0.19 H ATOM 174 HB ILE A 33 -6.395 -2.032 -7.552 1.00 0.41 H ATOM 175 HG12 ILE A 33 -4.698 -2.661 -9.206 1.00 0.73 H ATOM 176 HG13 ILE A 33 -3.910 -3.686 -7.975 1.00 0.72 H ATOM 177 HG21 ILE A 33 -4.659 -0.458 -6.342 1.00 1.66 H ATOM 178 HG22 ILE A 33 -3.508 -1.203 -7.450 1.00 1.54 H ATOM 179 HG23 ILE A 33 -4.899 -0.330 -8.093 1.00 1.53 H ATOM 180 HD11 ILE A 33 -5.699 -5.244 -8.126 1.00 1.64 H ATOM 181 HD12 ILE A 33 -6.834 -4.009 -8.740 1.00 1.62 H ATOM 182 HD13 ILE A 33 -5.536 -4.642 -9.768 1.00 1.53 H ATOM 183 N SER A 34 -5.609 -5.194 -5.616 1.00 0.27 N ATOM 184 CA SER A 34 -6.159 -6.506 -5.349 1.00 0.32 C ATOM 185 C SER A 34 -7.235 -6.477 -4.257 1.00 0.30 C ATOM 186 O SER A 34 -8.190 -7.246 -4.334 1.00 0.36 O ATOM 187 CB SER A 34 -4.983 -7.411 -4.974 1.00 0.45 C ATOM 188 OG SER A 34 -3.913 -7.168 -5.874 1.00 1.40 O ATOM 189 H SER A 34 -4.602 -5.169 -5.705 1.00 0.31 H ATOM 190 HA SER A 34 -6.608 -6.878 -6.271 1.00 0.35 H ATOM 191 HB2 SER A 34 -4.645 -7.174 -3.966 1.00 0.87 H ATOM 192 HB3 SER A 34 -5.291 -8.458 -5.004 1.00 0.89 H ATOM 193 HG SER A 34 -4.179 -7.440 -6.756 1.00 1.95 H ATOM 194 N CYS A 35 -7.083 -5.595 -3.260 1.00 0.23 N ATOM 195 CA CYS A 35 -8.097 -5.353 -2.238 1.00 0.21 C ATOM 196 C CYS A 35 -8.539 -3.888 -2.219 1.00 0.16 C ATOM 197 O CYS A 35 -9.724 -3.606 -2.059 1.00 0.21 O ATOM 198 CB CYS A 35 -7.546 -5.719 -0.866 1.00 0.20 C ATOM 199 SG CYS A 35 -6.850 -7.389 -0.855 1.00 0.20 S ATOM 200 H CYS A 35 -6.255 -5.008 -3.259 1.00 0.23 H ATOM 201 HA CYS A 35 -8.979 -5.965 -2.426 1.00 0.25 H ATOM 202 HB2 CYS A 35 -6.794 -4.978 -0.602 1.00 0.21 H ATOM 203 HB3 CYS A 35 -8.355 -5.684 -0.140 1.00 0.21 H ATOM 204 N HIS A 36 -7.590 -2.956 -2.335 1.00 0.12 N ATOM 205 CA HIS A 36 -7.838 -1.524 -2.240 1.00 0.11 C ATOM 206 C HIS A 36 -8.558 -0.952 -3.472 1.00 0.12 C ATOM 207 O HIS A 36 -8.987 0.205 -3.449 1.00 0.19 O ATOM 208 CB HIS A 36 -6.498 -0.833 -1.955 1.00 0.13 C ATOM 209 CG HIS A 36 -6.027 -1.076 -0.539 1.00 0.12 C ATOM 210 ND1 HIS A 36 -6.626 -0.556 0.581 1.00 0.24 N ATOM 211 CD2 HIS A 36 -4.965 -1.832 -0.115 1.00 0.14 C ATOM 212 CE1 HIS A 36 -5.939 -0.972 1.654 1.00 0.22 C ATOM 213 NE2 HIS A 36 -4.909 -1.749 1.288 1.00 0.09 N ATOM 214 H HIS A 36 -6.624 -3.248 -2.428 1.00 0.15 H ATOM 215 HA HIS A 36 -8.502 -1.333 -1.393 1.00 0.13 H ATOM 216 HB2 HIS A 36 -5.743 -1.164 -2.669 1.00 0.15 H ATOM 217 HB3 HIS A 36 -6.626 0.237 -2.100 1.00 0.17 H ATOM 218 HD1 HIS A 36 -7.425 0.067 0.600 1.00 0.35 H ATOM 219 HD2 HIS A 36 -4.290 -2.376 -0.759 1.00 0.27 H ATOM 220 HE1 HIS A 36 -6.178 -0.686 2.669 1.00 0.34 H ATOM 221 N GLY A 37 -8.719 -1.761 -4.524 1.00 0.17 N ATOM 222 CA GLY A 37 -9.399 -1.386 -5.751 1.00 0.30 C ATOM 223 C GLY A 37 -8.430 -0.678 -6.689 1.00 0.61 C ATOM 224 O GLY A 37 -7.499 -0.020 -6.227 1.00 1.58 O ATOM 225 H GLY A 37 -8.298 -2.683 -4.515 1.00 0.21 H ATOM 226 HA2 GLY A 37 -9.764 -2.297 -6.226 1.00 0.52 H ATOM 227 HA3 GLY A 37 -10.246 -0.731 -5.542 1.00 0.17 H ATOM 228 N GLY A 38 -8.648 -0.809 -8.004 1.00 0.44 N ATOM 229 CA GLY A 38 -7.847 -0.173 -9.053 1.00 0.40 C ATOM 230 C GLY A 38 -7.528 1.288 -8.742 1.00 0.36 C ATOM 231 O GLY A 38 -6.442 1.771 -9.059 1.00 0.48 O ATOM 232 H GLY A 38 -9.420 -1.384 -8.305 1.00 1.15 H ATOM 233 HA2 GLY A 38 -6.922 -0.719 -9.224 1.00 0.45 H ATOM 234 HA3 GLY A 38 -8.420 -0.200 -9.981 1.00 0.52 H ATOM 235 N ASP A 39 -8.491 1.968 -8.117 1.00 0.38 N ATOM 236 CA ASP A 39 -8.472 3.392 -7.849 1.00 0.53 C ATOM 237 C ASP A 39 -7.898 3.719 -6.464 1.00 0.45 C ATOM 238 O ASP A 39 -7.678 4.892 -6.180 1.00 0.48 O ATOM 239 CB ASP A 39 -9.898 3.937 -8.023 1.00 0.76 C ATOM 240 CG ASP A 39 -10.179 4.348 -9.461 1.00 1.12 C ATOM 241 OD1 ASP A 39 -9.895 5.523 -9.778 1.00 2.07 O ATOM 242 OD2 ASP A 39 -10.667 3.479 -10.215 1.00 2.06 O ATOM 243 H ASP A 39 -9.325 1.469 -7.847 1.00 0.40 H ATOM 244 HA ASP A 39 -7.833 3.895 -8.579 1.00 0.67 H ATOM 245 HB2 ASP A 39 -10.642 3.204 -7.707 1.00 1.01 H ATOM 246 HB3 ASP A 39 -10.025 4.830 -7.417 1.00 1.09 H ATOM 247 N LEU A 40 -7.650 2.732 -5.582 1.00 0.35 N ATOM 248 CA LEU A 40 -7.103 2.966 -4.248 1.00 0.30 C ATOM 249 C LEU A 40 -8.140 3.629 -3.329 1.00 0.26 C ATOM 250 O LEU A 40 -7.823 4.035 -2.206 1.00 0.28 O ATOM 251 CB LEU A 40 -5.787 3.769 -4.269 1.00 0.40 C ATOM 252 CG LEU A 40 -4.810 3.526 -5.436 1.00 0.65 C ATOM 253 CD1 LEU A 40 -3.446 4.114 -5.065 1.00 1.29 C ATOM 254 CD2 LEU A 40 -4.617 2.049 -5.781 1.00 1.18 C ATOM 255 H LEU A 40 -7.843 1.750 -5.773 1.00 0.31 H ATOM 256 HA LEU A 40 -6.887 1.976 -3.847 1.00 0.27 H ATOM 257 HB2 LEU A 40 -6.023 4.833 -4.260 1.00 0.47 H ATOM 258 HB3 LEU A 40 -5.270 3.548 -3.339 1.00 0.38 H ATOM 259 HG LEU A 40 -5.170 4.043 -6.327 1.00 1.42 H ATOM 260 HD11 LEU A 40 -2.805 4.138 -5.947 1.00 1.71 H ATOM 261 HD12 LEU A 40 -3.569 5.123 -4.678 1.00 2.31 H ATOM 262 HD13 LEU A 40 -2.973 3.501 -4.298 1.00 2.31 H ATOM 263 HD21 LEU A 40 -4.422 1.472 -4.878 1.00 1.60 H ATOM 264 HD22 LEU A 40 -5.500 1.662 -6.282 1.00 2.30 H ATOM 265 HD23 LEU A 40 -3.780 1.946 -6.471 1.00 1.66 H ATOM 266 N THR A 41 -9.387 3.698 -3.808 1.00 0.28 N ATOM 267 CA THR A 41 -10.545 4.315 -3.187 1.00 0.30 C ATOM 268 C THR A 41 -11.165 3.365 -2.168 1.00 0.25 C ATOM 269 O THR A 41 -12.148 3.712 -1.517 1.00 0.28 O ATOM 270 CB THR A 41 -11.558 4.614 -4.301 1.00 0.39 C ATOM 271 OG1 THR A 41 -11.586 3.513 -5.195 1.00 0.40 O ATOM 272 CG2 THR A 41 -11.162 5.881 -5.063 1.00 0.50 C ATOM 273 H THR A 41 -9.598 3.213 -4.670 1.00 0.32 H ATOM 274 HA THR A 41 -10.264 5.241 -2.684 1.00 0.34 H ATOM 275 HB THR A 41 -12.555 4.772 -3.883 1.00 0.41 H ATOM 276 HG1 THR A 41 -12.120 2.810 -4.811 1.00 1.18 H ATOM 277 HG21 THR A 41 -11.806 6.002 -5.935 1.00 1.37 H ATOM 278 HG22 THR A 41 -11.276 6.751 -4.417 1.00 1.83 H ATOM 279 HG23 THR A 41 -10.124 5.825 -5.389 1.00 1.35 H ATOM 280 N GLY A 42 -10.607 2.161 -2.053 1.00 0.20 N ATOM 281 CA GLY A 42 -11.138 1.113 -1.223 1.00 0.18 C ATOM 282 C GLY A 42 -12.082 0.264 -2.063 1.00 0.22 C ATOM 283 O GLY A 42 -12.691 0.738 -3.024 1.00 0.50 O ATOM 284 H GLY A 42 -9.905 1.875 -2.722 1.00 0.20 H ATOM 285 HA2 GLY A 42 -10.289 0.511 -0.899 1.00 0.16 H ATOM 286 HA3 GLY A 42 -11.652 1.504 -0.345 1.00 0.26 H ATOM 287 N ALA A 43 -12.163 -1.009 -1.696 1.00 0.15 N ATOM 288 CA ALA A 43 -13.012 -2.002 -2.343 1.00 0.17 C ATOM 289 C ALA A 43 -13.289 -3.130 -1.352 1.00 0.24 C ATOM 290 O ALA A 43 -14.333 -3.143 -0.707 1.00 0.32 O ATOM 291 CB ALA A 43 -12.369 -2.494 -3.649 1.00 0.20 C ATOM 292 H ALA A 43 -11.637 -1.243 -0.865 1.00 0.35 H ATOM 293 HA ALA A 43 -13.973 -1.547 -2.591 1.00 0.22 H ATOM 294 HB1 ALA A 43 -11.286 -2.541 -3.558 1.00 1.35 H ATOM 295 HB2 ALA A 43 -12.745 -3.485 -3.909 1.00 1.23 H ATOM 296 HB3 ALA A 43 -12.615 -1.806 -4.458 1.00 1.28 H ATOM 297 N SER A 44 -12.333 -4.046 -1.195 1.00 0.23 N ATOM 298 CA SER A 44 -12.368 -5.104 -0.187 1.00 0.30 C ATOM 299 C SER A 44 -11.658 -4.643 1.099 1.00 0.28 C ATOM 300 O SER A 44 -11.469 -5.420 2.031 1.00 0.31 O ATOM 301 CB SER A 44 -11.726 -6.371 -0.770 1.00 0.34 C ATOM 302 OG SER A 44 -12.215 -7.527 -0.117 1.00 1.26 O ATOM 303 H SER A 44 -11.474 -3.931 -1.724 1.00 0.20 H ATOM 304 HA SER A 44 -13.406 -5.335 0.057 1.00 0.40 H ATOM 305 HB2 SER A 44 -11.977 -6.456 -1.829 1.00 1.14 H ATOM 306 HB3 SER A 44 -10.642 -6.316 -0.664 1.00 1.28 H ATOM 307 HG SER A 44 -11.748 -8.299 -0.445 1.00 2.11 H ATOM 308 N ALA A 45 -11.192 -3.392 1.123 1.00 0.25 N ATOM 309 CA ALA A 45 -10.296 -2.842 2.121 1.00 0.27 C ATOM 310 C ALA A 45 -10.450 -1.315 2.088 1.00 0.26 C ATOM 311 O ALA A 45 -11.023 -0.812 1.116 1.00 0.24 O ATOM 312 CB ALA A 45 -8.881 -3.291 1.748 1.00 0.25 C ATOM 313 H ALA A 45 -11.423 -2.764 0.373 1.00 0.23 H ATOM 314 HA ALA A 45 -10.574 -3.227 3.103 1.00 0.32 H ATOM 315 HB1 ALA A 45 -8.887 -4.354 1.519 1.00 1.59 H ATOM 316 HB2 ALA A 45 -8.518 -2.736 0.883 1.00 1.44 H ATOM 317 HB3 ALA A 45 -8.203 -3.147 2.573 1.00 1.42 H ATOM 318 N PRO A 46 -9.986 -0.583 3.119 1.00 0.29 N ATOM 319 CA PRO A 46 -10.189 0.855 3.244 1.00 0.31 C ATOM 320 C PRO A 46 -9.393 1.621 2.188 1.00 0.28 C ATOM 321 O PRO A 46 -8.469 1.085 1.585 1.00 0.29 O ATOM 322 CB PRO A 46 -9.747 1.221 4.666 1.00 0.37 C ATOM 323 CG PRO A 46 -8.757 0.122 5.039 1.00 0.36 C ATOM 324 CD PRO A 46 -9.244 -1.094 4.260 1.00 0.35 C ATOM 325 HA PRO A 46 -11.249 1.090 3.127 1.00 0.33 H ATOM 326 HB2 PRO A 46 -9.284 2.207 4.735 1.00 0.39 H ATOM 327 HB3 PRO A 46 -10.600 1.163 5.342 1.00 0.42 H ATOM 328 HG2 PRO A 46 -7.759 0.402 4.698 1.00 0.36 H ATOM 329 HG3 PRO A 46 -8.746 -0.068 6.112 1.00 0.40 H ATOM 330 HD2 PRO A 46 -8.360 -1.641 3.956 1.00 0.38 H ATOM 331 HD3 PRO A 46 -9.884 -1.713 4.887 1.00 0.40 H ATOM 332 N ALA A 47 -9.750 2.883 1.950 1.00 0.29 N ATOM 333 CA ALA A 47 -9.126 3.689 0.912 1.00 0.30 C ATOM 334 C ALA A 47 -7.730 4.136 1.343 1.00 0.32 C ATOM 335 O ALA A 47 -7.584 4.798 2.369 1.00 0.38 O ATOM 336 CB ALA A 47 -10.019 4.892 0.617 1.00 0.35 C ATOM 337 H ALA A 47 -10.489 3.298 2.495 1.00 0.32 H ATOM 338 HA ALA A 47 -9.053 3.092 0.002 1.00 0.29 H ATOM 339 HB1 ALA A 47 -11.041 4.546 0.471 1.00 1.54 H ATOM 340 HB2 ALA A 47 -10.004 5.591 1.454 1.00 1.62 H ATOM 341 HB3 ALA A 47 -9.667 5.394 -0.284 1.00 1.25 H ATOM 342 N ILE A 48 -6.709 3.793 0.551 1.00 0.30 N ATOM 343 CA ILE A 48 -5.322 4.178 0.803 1.00 0.31 C ATOM 344 C ILE A 48 -4.870 5.285 -0.146 1.00 0.31 C ATOM 345 O ILE A 48 -3.719 5.707 -0.078 1.00 0.31 O ATOM 346 CB ILE A 48 -4.386 2.958 0.767 1.00 0.32 C ATOM 347 CG1 ILE A 48 -4.472 2.213 -0.573 1.00 0.39 C ATOM 348 CG2 ILE A 48 -4.719 2.062 1.964 1.00 0.34 C ATOM 349 CD1 ILE A 48 -3.321 1.223 -0.775 1.00 0.38 C ATOM 350 H ILE A 48 -6.924 3.327 -0.322 1.00 0.31 H ATOM 351 HA ILE A 48 -5.231 4.605 1.802 1.00 0.32 H ATOM 352 HB ILE A 48 -3.359 3.301 0.891 1.00 0.32 H ATOM 353 HG12 ILE A 48 -5.424 1.692 -0.647 1.00 0.46 H ATOM 354 HG13 ILE A 48 -4.406 2.938 -1.381 1.00 0.49 H ATOM 355 HG21 ILE A 48 -4.481 2.587 2.890 1.00 1.46 H ATOM 356 HG22 ILE A 48 -5.775 1.801 1.971 1.00 1.56 H ATOM 357 HG23 ILE A 48 -4.130 1.153 1.919 1.00 1.38 H ATOM 358 HD11 ILE A 48 -3.402 0.775 -1.766 1.00 1.60 H ATOM 359 HD12 ILE A 48 -2.365 1.738 -0.698 1.00 1.37 H ATOM 360 HD13 ILE A 48 -3.357 0.432 -0.032 1.00 1.48 H ATOM 361 N ASP A 49 -5.758 5.771 -1.020 1.00 0.32 N ATOM 362 CA ASP A 49 -5.455 6.878 -1.916 1.00 0.30 C ATOM 363 C ASP A 49 -4.731 8.037 -1.214 1.00 0.32 C ATOM 364 O ASP A 49 -3.723 8.520 -1.725 1.00 0.41 O ATOM 365 CB ASP A 49 -6.737 7.366 -2.585 1.00 0.27 C ATOM 366 CG ASP A 49 -6.402 8.473 -3.575 1.00 1.34 C ATOM 367 OD1 ASP A 49 -5.501 8.238 -4.421 1.00 2.62 O ATOM 368 OD2 ASP A 49 -7.045 9.534 -3.443 1.00 2.14 O ATOM 369 H ASP A 49 -6.656 5.313 -1.135 1.00 0.30 H ATOM 370 HA ASP A 49 -4.797 6.490 -2.694 1.00 0.39 H ATOM 371 HB2 ASP A 49 -7.228 6.558 -3.125 1.00 0.90 H ATOM 372 HB3 ASP A 49 -7.427 7.746 -1.828 1.00 0.92 H ATOM 373 N LYS A 50 -5.202 8.444 -0.024 1.00 0.30 N ATOM 374 CA LYS A 50 -4.600 9.511 0.769 1.00 0.31 C ATOM 375 C LYS A 50 -3.744 8.951 1.910 1.00 0.28 C ATOM 376 O LYS A 50 -3.575 9.602 2.944 1.00 0.37 O ATOM 377 CB LYS A 50 -5.683 10.485 1.265 1.00 0.37 C ATOM 378 CG LYS A 50 -6.760 9.856 2.170 1.00 1.82 C ATOM 379 CD LYS A 50 -6.903 10.662 3.474 1.00 2.99 C ATOM 380 CE LYS A 50 -8.109 10.210 4.318 1.00 3.77 C ATOM 381 NZ LYS A 50 -9.245 11.152 4.225 1.00 4.04 N ATOM 382 H LYS A 50 -5.969 7.942 0.387 1.00 0.35 H ATOM 383 HA LYS A 50 -3.923 10.091 0.144 1.00 0.34 H ATOM 384 HB2 LYS A 50 -5.181 11.296 1.793 1.00 1.29 H ATOM 385 HB3 LYS A 50 -6.175 10.922 0.394 1.00 1.18 H ATOM 386 HG2 LYS A 50 -7.703 9.844 1.621 1.00 2.42 H ATOM 387 HG3 LYS A 50 -6.496 8.829 2.423 1.00 2.75 H ATOM 388 HD2 LYS A 50 -5.989 10.510 4.052 1.00 4.01 H ATOM 389 HD3 LYS A 50 -6.970 11.727 3.244 1.00 3.34 H ATOM 390 HE2 LYS A 50 -8.433 9.214 4.006 1.00 4.00 H ATOM 391 HE3 LYS A 50 -7.807 10.155 5.366 1.00 4.75 H ATOM 392 HZ1 LYS A 50 -10.031 10.795 4.752 1.00 4.84 H ATOM 393 HZ2 LYS A 50 -8.980 12.048 4.614 1.00 4.53 H ATOM 394 HZ3 LYS A 50 -9.524 11.277 3.262 1.00 3.83 H ATOM 395 N ALA A 51 -3.188 7.747 1.741 1.00 0.24 N ATOM 396 CA ALA A 51 -2.311 7.163 2.740 1.00 0.21 C ATOM 397 C ALA A 51 -1.155 8.115 3.021 1.00 0.20 C ATOM 398 O ALA A 51 -0.879 8.385 4.182 1.00 0.27 O ATOM 399 CB ALA A 51 -1.807 5.791 2.300 1.00 0.21 C ATOM 400 H ALA A 51 -3.329 7.243 0.871 1.00 0.25 H ATOM 401 HA ALA A 51 -2.878 7.027 3.662 1.00 0.24 H ATOM 402 HB1 ALA A 51 -1.268 5.876 1.355 1.00 1.47 H ATOM 403 HB2 ALA A 51 -1.144 5.390 3.065 1.00 1.41 H ATOM 404 HB3 ALA A 51 -2.648 5.111 2.187 1.00 1.46 H ATOM 405 N GLY A 52 -0.532 8.666 1.972 1.00 0.21 N ATOM 406 CA GLY A 52 0.599 9.578 2.097 1.00 0.23 C ATOM 407 C GLY A 52 0.320 10.765 3.019 1.00 0.33 C ATOM 408 O GLY A 52 1.232 11.296 3.646 1.00 0.49 O ATOM 409 H GLY A 52 -0.840 8.442 1.034 1.00 0.27 H ATOM 410 HA2 GLY A 52 1.465 9.032 2.470 1.00 0.27 H ATOM 411 HA3 GLY A 52 0.832 9.969 1.109 1.00 0.28 H ATOM 412 N ALA A 53 -0.939 11.211 3.084 1.00 0.32 N ATOM 413 CA ALA A 53 -1.335 12.285 3.982 1.00 0.45 C ATOM 414 C ALA A 53 -1.457 11.770 5.416 1.00 0.51 C ATOM 415 O ALA A 53 -1.053 12.454 6.353 1.00 0.72 O ATOM 416 CB ALA A 53 -2.653 12.901 3.510 1.00 0.51 C ATOM 417 H ALA A 53 -1.662 10.698 2.598 1.00 0.29 H ATOM 418 HA ALA A 53 -0.576 13.072 3.966 1.00 0.63 H ATOM 419 HB1 ALA A 53 -2.518 13.356 2.529 1.00 1.49 H ATOM 420 HB2 ALA A 53 -3.427 12.138 3.451 1.00 1.63 H ATOM 421 HB3 ALA A 53 -2.965 13.670 4.217 1.00 1.73 H ATOM 422 N ASN A 54 -2.046 10.584 5.594 1.00 0.50 N ATOM 423 CA ASN A 54 -2.219 9.994 6.918 1.00 0.68 C ATOM 424 C ASN A 54 -0.869 9.641 7.542 1.00 0.54 C ATOM 425 O ASN A 54 -0.639 9.931 8.712 1.00 0.81 O ATOM 426 CB ASN A 54 -3.079 8.724 6.848 1.00 0.87 C ATOM 427 CG ASN A 54 -4.574 9.004 6.762 1.00 1.01 C ATOM 428 OD1 ASN A 54 -5.148 9.659 7.625 1.00 1.53 O ATOM 429 ND2 ASN A 54 -5.242 8.481 5.738 1.00 1.37 N ATOM 430 H ASN A 54 -2.297 10.040 4.775 1.00 0.49 H ATOM 431 HA ASN A 54 -2.708 10.715 7.574 1.00 0.91 H ATOM 432 HB2 ASN A 54 -2.754 8.096 6.018 1.00 0.97 H ATOM 433 HB3 ASN A 54 -2.930 8.163 7.770 1.00 1.17 H ATOM 434 HD21 ASN A 54 -4.752 7.966 5.023 1.00 1.82 H ATOM 435 HD22 ASN A 54 -6.245 8.546 5.745 1.00 1.60 H ATOM 436 N TYR A 55 -0.024 8.948 6.777 1.00 0.23 N ATOM 437 CA TYR A 55 1.187 8.290 7.237 1.00 0.23 C ATOM 438 C TYR A 55 2.277 8.526 6.187 1.00 0.23 C ATOM 439 O TYR A 55 1.985 8.504 4.993 1.00 0.44 O ATOM 440 CB TYR A 55 0.904 6.785 7.384 1.00 0.37 C ATOM 441 CG TYR A 55 -0.388 6.396 8.076 1.00 0.38 C ATOM 442 CD1 TYR A 55 -0.657 6.842 9.383 1.00 0.51 C ATOM 443 CD2 TYR A 55 -1.301 5.541 7.428 1.00 0.41 C ATOM 444 CE1 TYR A 55 -1.866 6.491 10.013 1.00 0.60 C ATOM 445 CE2 TYR A 55 -2.498 5.178 8.066 1.00 0.47 C ATOM 446 CZ TYR A 55 -2.783 5.656 9.354 1.00 0.55 C ATOM 447 OH TYR A 55 -3.967 5.330 9.944 1.00 0.68 O ATOM 448 H TYR A 55 -0.248 8.810 5.799 1.00 0.24 H ATOM 449 HA TYR A 55 1.502 8.700 8.197 1.00 0.29 H ATOM 450 HB2 TYR A 55 0.908 6.341 6.390 1.00 0.46 H ATOM 451 HB3 TYR A 55 1.708 6.337 7.955 1.00 0.54 H ATOM 452 HD1 TYR A 55 0.052 7.477 9.896 1.00 0.59 H ATOM 453 HD2 TYR A 55 -1.085 5.159 6.441 1.00 0.49 H ATOM 454 HE1 TYR A 55 -2.078 6.874 11.000 1.00 0.77 H ATOM 455 HE2 TYR A 55 -3.204 4.533 7.572 1.00 0.56 H ATOM 456 HH TYR A 55 -4.055 5.682 10.831 1.00 1.85 H ATOM 457 N SER A 56 3.522 8.749 6.604 1.00 0.24 N ATOM 458 CA SER A 56 4.636 8.978 5.690 1.00 0.30 C ATOM 459 C SER A 56 5.119 7.651 5.095 1.00 0.25 C ATOM 460 O SER A 56 4.743 6.579 5.571 1.00 0.20 O ATOM 461 CB SER A 56 5.763 9.695 6.440 1.00 0.43 C ATOM 462 OG SER A 56 5.257 10.878 7.031 1.00 1.59 O ATOM 463 H SER A 56 3.722 8.668 7.603 1.00 0.37 H ATOM 464 HA SER A 56 4.306 9.625 4.875 1.00 0.34 H ATOM 465 HB2 SER A 56 6.156 9.044 7.223 1.00 1.02 H ATOM 466 HB3 SER A 56 6.567 9.948 5.745 1.00 1.36 H ATOM 467 HG SER A 56 4.558 10.630 7.644 1.00 2.48 H ATOM 468 N GLU A 57 5.978 7.704 4.075 1.00 0.32 N ATOM 469 CA GLU A 57 6.508 6.521 3.413 1.00 0.33 C ATOM 470 C GLU A 57 7.081 5.517 4.410 1.00 0.28 C ATOM 471 O GLU A 57 6.790 4.333 4.301 1.00 0.26 O ATOM 472 CB GLU A 57 7.501 6.863 2.299 1.00 0.53 C ATOM 473 CG GLU A 57 8.555 7.907 2.674 1.00 1.13 C ATOM 474 CD GLU A 57 8.100 9.332 2.384 1.00 1.95 C ATOM 475 OE1 GLU A 57 7.312 9.847 3.207 1.00 3.05 O ATOM 476 OE2 GLU A 57 8.520 9.861 1.335 1.00 2.58 O ATOM 477 H GLU A 57 6.310 8.612 3.749 1.00 0.42 H ATOM 478 HA GLU A 57 5.684 6.032 2.905 1.00 0.33 H ATOM 479 HB2 GLU A 57 8.006 5.941 2.007 1.00 1.08 H ATOM 480 HB3 GLU A 57 6.953 7.224 1.433 1.00 1.37 H ATOM 481 HG2 GLU A 57 8.844 7.813 3.717 1.00 1.70 H ATOM 482 HG3 GLU A 57 9.427 7.704 2.057 1.00 1.43 H ATOM 483 N GLU A 58 7.849 5.972 5.401 1.00 0.36 N ATOM 484 CA GLU A 58 8.383 5.093 6.432 1.00 0.39 C ATOM 485 C GLU A 58 7.269 4.295 7.131 1.00 0.33 C ATOM 486 O GLU A 58 7.432 3.107 7.404 1.00 0.40 O ATOM 487 CB GLU A 58 9.234 5.906 7.419 1.00 0.49 C ATOM 488 CG GLU A 58 10.487 6.484 6.736 1.00 1.67 C ATOM 489 CD GLU A 58 11.720 6.344 7.622 1.00 1.81 C ATOM 490 OE1 GLU A 58 11.812 7.122 8.595 1.00 2.30 O ATOM 491 OE2 GLU A 58 12.538 5.448 7.321 1.00 2.90 O ATOM 492 H GLU A 58 8.082 6.953 5.431 1.00 0.44 H ATOM 493 HA GLU A 58 9.038 4.364 5.953 1.00 0.41 H ATOM 494 HB2 GLU A 58 8.655 6.717 7.865 1.00 1.00 H ATOM 495 HB3 GLU A 58 9.551 5.237 8.221 1.00 1.06 H ATOM 496 HG2 GLU A 58 10.693 5.957 5.804 1.00 2.67 H ATOM 497 HG3 GLU A 58 10.340 7.539 6.507 1.00 2.53 H ATOM 498 N GLU A 59 6.120 4.923 7.387 1.00 0.29 N ATOM 499 CA GLU A 59 5.015 4.296 8.093 1.00 0.27 C ATOM 500 C GLU A 59 4.253 3.378 7.135 1.00 0.22 C ATOM 501 O GLU A 59 3.919 2.241 7.464 1.00 0.22 O ATOM 502 CB GLU A 59 4.101 5.394 8.639 1.00 0.29 C ATOM 503 CG GLU A 59 4.774 6.284 9.689 1.00 0.48 C ATOM 504 CD GLU A 59 3.890 7.483 10.001 1.00 1.94 C ATOM 505 OE1 GLU A 59 3.997 8.470 9.238 1.00 3.49 O ATOM 506 OE2 GLU A 59 3.094 7.377 10.956 1.00 2.41 O ATOM 507 H GLU A 59 5.932 5.826 6.965 1.00 0.33 H ATOM 508 HA GLU A 59 5.390 3.712 8.933 1.00 0.30 H ATOM 509 HB2 GLU A 59 3.802 6.029 7.808 1.00 0.31 H ATOM 510 HB3 GLU A 59 3.215 4.941 9.086 1.00 0.36 H ATOM 511 HG2 GLU A 59 4.942 5.712 10.602 1.00 1.08 H ATOM 512 HG3 GLU A 59 5.732 6.655 9.326 1.00 1.47 H ATOM 513 N ILE A 60 3.970 3.869 5.927 1.00 0.19 N ATOM 514 CA ILE A 60 3.266 3.091 4.920 1.00 0.17 C ATOM 515 C ILE A 60 4.061 1.826 4.614 1.00 0.16 C ATOM 516 O ILE A 60 3.496 0.741 4.520 1.00 0.18 O ATOM 517 CB ILE A 60 3.008 3.930 3.662 1.00 0.18 C ATOM 518 CG1 ILE A 60 2.035 5.048 4.047 1.00 0.17 C ATOM 519 CG2 ILE A 60 2.438 3.054 2.536 1.00 0.26 C ATOM 520 CD1 ILE A 60 1.698 5.957 2.869 1.00 0.19 C ATOM 521 H ILE A 60 4.298 4.800 5.691 1.00 0.21 H ATOM 522 HA ILE A 60 2.299 2.812 5.334 1.00 0.17 H ATOM 523 HB ILE A 60 3.943 4.372 3.320 1.00 0.21 H ATOM 524 HG12 ILE A 60 1.121 4.626 4.458 1.00 0.17 H ATOM 525 HG13 ILE A 60 2.492 5.649 4.826 1.00 0.20 H ATOM 526 HG21 ILE A 60 3.194 2.339 2.222 1.00 1.51 H ATOM 527 HG22 ILE A 60 1.557 2.515 2.884 1.00 1.32 H ATOM 528 HG23 ILE A 60 2.179 3.647 1.662 1.00 1.43 H ATOM 529 HD11 ILE A 60 1.178 6.828 3.251 1.00 1.37 H ATOM 530 HD12 ILE A 60 2.608 6.277 2.360 1.00 1.37 H ATOM 531 HD13 ILE A 60 1.039 5.438 2.176 1.00 1.43 H ATOM 532 N LEU A 61 5.375 1.976 4.457 1.00 0.15 N ATOM 533 CA LEU A 61 6.292 0.877 4.242 1.00 0.15 C ATOM 534 C LEU A 61 6.141 -0.138 5.369 1.00 0.15 C ATOM 535 O LEU A 61 5.958 -1.325 5.102 1.00 0.17 O ATOM 536 CB LEU A 61 7.726 1.412 4.135 1.00 0.17 C ATOM 537 CG LEU A 61 8.763 0.312 3.876 1.00 0.22 C ATOM 538 CD1 LEU A 61 8.394 -0.527 2.647 1.00 0.23 C ATOM 539 CD2 LEU A 61 10.137 0.956 3.676 1.00 0.32 C ATOM 540 H LEU A 61 5.767 2.905 4.550 1.00 0.16 H ATOM 541 HA LEU A 61 6.003 0.411 3.304 1.00 0.17 H ATOM 542 HB2 LEU A 61 7.778 2.130 3.318 1.00 0.19 H ATOM 543 HB3 LEU A 61 7.989 1.926 5.059 1.00 0.17 H ATOM 544 HG LEU A 61 8.821 -0.335 4.748 1.00 0.27 H ATOM 545 HD11 LEU A 61 8.109 0.134 1.831 1.00 1.44 H ATOM 546 HD12 LEU A 61 9.240 -1.141 2.340 1.00 1.47 H ATOM 547 HD13 LEU A 61 7.557 -1.184 2.878 1.00 1.39 H ATOM 548 HD21 LEU A 61 10.379 1.583 4.534 1.00 1.49 H ATOM 549 HD22 LEU A 61 10.896 0.179 3.587 1.00 1.49 H ATOM 550 HD23 LEU A 61 10.140 1.568 2.774 1.00 1.51 H ATOM 551 N ASP A 62 6.181 0.336 6.619 1.00 0.18 N ATOM 552 CA ASP A 62 5.967 -0.516 7.778 1.00 0.22 C ATOM 553 C ASP A 62 4.679 -1.326 7.610 1.00 0.20 C ATOM 554 O ASP A 62 4.704 -2.554 7.649 1.00 0.25 O ATOM 555 CB ASP A 62 5.962 0.316 9.066 1.00 0.29 C ATOM 556 CG ASP A 62 6.243 -0.571 10.266 1.00 0.42 C ATOM 557 OD1 ASP A 62 5.384 -1.436 10.548 1.00 1.31 O ATOM 558 OD2 ASP A 62 7.332 -0.417 10.855 1.00 1.51 O ATOM 559 H ASP A 62 6.352 1.324 6.779 1.00 0.20 H ATOM 560 HA ASP A 62 6.810 -1.210 7.828 1.00 0.27 H ATOM 561 HB2 ASP A 62 6.735 1.084 9.019 1.00 0.42 H ATOM 562 HB3 ASP A 62 4.998 0.798 9.215 1.00 0.34 H ATOM 563 N ILE A 63 3.557 -0.655 7.319 1.00 0.16 N ATOM 564 CA ILE A 63 2.286 -1.336 7.096 1.00 0.17 C ATOM 565 C ILE A 63 2.425 -2.365 5.968 1.00 0.24 C ATOM 566 O ILE A 63 2.072 -3.521 6.153 1.00 0.53 O ATOM 567 CB ILE A 63 1.151 -0.319 6.859 1.00 0.19 C ATOM 568 CG1 ILE A 63 0.971 0.582 8.093 1.00 0.21 C ATOM 569 CG2 ILE A 63 -0.170 -1.027 6.526 1.00 0.25 C ATOM 570 CD1 ILE A 63 0.097 1.811 7.831 1.00 0.28 C ATOM 571 H ILE A 63 3.594 0.361 7.250 1.00 0.16 H ATOM 572 HA ILE A 63 2.049 -1.912 7.994 1.00 0.19 H ATOM 573 HB ILE A 63 1.417 0.316 6.021 1.00 0.24 H ATOM 574 HG12 ILE A 63 0.548 0.000 8.911 1.00 0.28 H ATOM 575 HG13 ILE A 63 1.940 0.958 8.406 1.00 0.31 H ATOM 576 HG21 ILE A 63 -0.928 -0.292 6.276 1.00 1.25 H ATOM 577 HG22 ILE A 63 -0.064 -1.694 5.672 1.00 1.26 H ATOM 578 HG23 ILE A 63 -0.509 -1.599 7.386 1.00 1.31 H ATOM 579 HD11 ILE A 63 0.053 2.418 8.735 1.00 1.45 H ATOM 580 HD12 ILE A 63 0.525 2.410 7.028 1.00 1.49 H ATOM 581 HD13 ILE A 63 -0.914 1.511 7.569 1.00 1.42 H ATOM 582 N ILE A 64 2.953 -1.998 4.800 1.00 0.12 N ATOM 583 CA ILE A 64 3.123 -2.944 3.697 1.00 0.12 C ATOM 584 C ILE A 64 3.886 -4.194 4.172 1.00 0.14 C ATOM 585 O ILE A 64 3.491 -5.330 3.886 1.00 0.18 O ATOM 586 CB ILE A 64 3.782 -2.237 2.495 1.00 0.14 C ATOM 587 CG1 ILE A 64 2.820 -1.180 1.920 1.00 0.16 C ATOM 588 CG2 ILE A 64 4.146 -3.250 1.400 1.00 0.18 C ATOM 589 CD1 ILE A 64 3.549 -0.156 1.044 1.00 0.22 C ATOM 590 H ILE A 64 3.290 -1.046 4.698 1.00 0.25 H ATOM 591 HA ILE A 64 2.137 -3.277 3.379 1.00 0.13 H ATOM 592 HB ILE A 64 4.695 -1.742 2.825 1.00 0.14 H ATOM 593 HG12 ILE A 64 2.040 -1.675 1.343 1.00 0.17 H ATOM 594 HG13 ILE A 64 2.337 -0.627 2.724 1.00 0.17 H ATOM 595 HG21 ILE A 64 4.484 -2.737 0.502 1.00 1.60 H ATOM 596 HG22 ILE A 64 4.949 -3.904 1.738 1.00 1.64 H ATOM 597 HG23 ILE A 64 3.275 -3.858 1.159 1.00 1.52 H ATOM 598 HD11 ILE A 64 3.952 -0.619 0.146 1.00 1.51 H ATOM 599 HD12 ILE A 64 2.852 0.628 0.753 1.00 1.37 H ATOM 600 HD13 ILE A 64 4.360 0.297 1.609 1.00 1.37 H ATOM 601 N LEU A 65 4.961 -3.983 4.932 1.00 0.15 N ATOM 602 CA LEU A 65 5.803 -5.050 5.447 1.00 0.19 C ATOM 603 C LEU A 65 5.144 -5.844 6.584 1.00 0.24 C ATOM 604 O LEU A 65 5.404 -7.039 6.697 1.00 0.32 O ATOM 605 CB LEU A 65 7.142 -4.464 5.912 1.00 0.23 C ATOM 606 CG LEU A 65 8.004 -3.902 4.764 1.00 0.30 C ATOM 607 CD1 LEU A 65 9.145 -3.066 5.352 1.00 0.39 C ATOM 608 CD2 LEU A 65 8.612 -4.994 3.872 1.00 0.37 C ATOM 609 H LEU A 65 5.216 -3.024 5.160 1.00 0.16 H ATOM 610 HA LEU A 65 5.994 -5.758 4.642 1.00 0.24 H ATOM 611 HB2 LEU A 65 6.933 -3.666 6.625 1.00 0.23 H ATOM 612 HB3 LEU A 65 7.697 -5.239 6.438 1.00 0.25 H ATOM 613 HG LEU A 65 7.394 -3.251 4.137 1.00 0.38 H ATOM 614 HD11 LEU A 65 9.728 -2.616 4.548 1.00 1.74 H ATOM 615 HD12 LEU A 65 8.736 -2.275 5.983 1.00 1.73 H ATOM 616 HD13 LEU A 65 9.799 -3.694 5.957 1.00 1.54 H ATOM 617 HD21 LEU A 65 7.837 -5.619 3.432 1.00 1.68 H ATOM 618 HD22 LEU A 65 9.171 -4.527 3.062 1.00 1.56 H ATOM 619 HD23 LEU A 65 9.290 -5.617 4.456 1.00 1.72 H ATOM 620 N ASN A 66 4.307 -5.223 7.426 1.00 0.26 N ATOM 621 CA ASN A 66 3.868 -5.796 8.710 1.00 0.38 C ATOM 622 C ASN A 66 2.344 -5.904 8.745 1.00 0.34 C ATOM 623 O ASN A 66 1.725 -6.027 9.799 1.00 0.47 O ATOM 624 CB ASN A 66 4.389 -4.936 9.873 1.00 0.55 C ATOM 625 CG ASN A 66 5.911 -4.975 9.987 1.00 0.69 C ATOM 626 OD1 ASN A 66 6.528 -6.023 9.816 1.00 1.64 O ATOM 627 ND2 ASN A 66 6.542 -3.849 10.294 1.00 0.65 N ATOM 628 H ASN A 66 3.910 -4.313 7.170 1.00 0.26 H ATOM 629 HA ASN A 66 4.253 -6.808 8.839 1.00 0.46 H ATOM 630 HB2 ASN A 66 4.043 -3.909 9.749 1.00 1.14 H ATOM 631 HB3 ASN A 66 3.988 -5.318 10.811 1.00 0.98 H ATOM 632 HD21 ASN A 66 6.013 -2.974 10.419 1.00 1.04 H ATOM 633 HD22 ASN A 66 7.543 -3.832 10.381 1.00 0.99 H ATOM 634 N GLY A 67 1.775 -5.893 7.543 1.00 0.23 N ATOM 635 CA GLY A 67 0.369 -5.689 7.188 1.00 0.17 C ATOM 636 C GLY A 67 -0.349 -4.806 8.217 1.00 0.31 C ATOM 637 O GLY A 67 0.240 -3.819 8.652 1.00 0.68 O ATOM 638 H GLY A 67 2.459 -5.929 6.802 1.00 0.22 H ATOM 639 HA2 GLY A 67 0.342 -5.134 6.256 1.00 0.22 H ATOM 640 HA3 GLY A 67 -0.121 -6.626 6.928 1.00 0.20 H ATOM 641 N GLN A 68 -1.600 -5.122 8.585 1.00 0.29 N ATOM 642 CA GLN A 68 -2.425 -4.353 9.533 1.00 0.37 C ATOM 643 C GLN A 68 -3.824 -4.984 9.562 1.00 0.29 C ATOM 644 O GLN A 68 -4.351 -5.272 8.498 1.00 0.26 O ATOM 645 CB GLN A 68 -2.476 -2.854 9.147 1.00 0.52 C ATOM 646 CG GLN A 68 -3.427 -1.998 10.003 1.00 0.72 C ATOM 647 CD GLN A 68 -2.782 -0.691 10.451 1.00 0.81 C ATOM 648 OE1 GLN A 68 -1.819 -0.702 11.211 1.00 1.20 O ATOM 649 NE2 GLN A 68 -3.299 0.447 10.001 1.00 1.13 N ATOM 650 H GLN A 68 -2.017 -5.964 8.187 1.00 0.51 H ATOM 651 HA GLN A 68 -1.973 -4.441 10.521 1.00 0.44 H ATOM 652 HB2 GLN A 68 -1.488 -2.430 9.301 1.00 0.54 H ATOM 653 HB3 GLN A 68 -2.722 -2.733 8.089 1.00 0.55 H ATOM 654 HG2 GLN A 68 -4.312 -1.742 9.429 1.00 1.10 H ATOM 655 HG3 GLN A 68 -3.731 -2.537 10.898 1.00 0.96 H ATOM 656 HE21 GLN A 68 -4.136 0.469 9.405 1.00 1.33 H ATOM 657 HE22 GLN A 68 -2.892 1.314 10.307 1.00 1.43 H ATOM 658 N GLY A 69 -4.428 -5.215 10.737 1.00 0.33 N ATOM 659 CA GLY A 69 -5.684 -5.948 10.905 1.00 0.34 C ATOM 660 C GLY A 69 -5.912 -7.054 9.866 1.00 0.33 C ATOM 661 O GLY A 69 -5.224 -8.071 9.893 1.00 0.34 O ATOM 662 H GLY A 69 -4.028 -4.848 11.586 1.00 0.41 H ATOM 663 HA2 GLY A 69 -5.647 -6.427 11.884 1.00 0.41 H ATOM 664 HA3 GLY A 69 -6.514 -5.248 10.918 1.00 0.44 H ATOM 665 N GLY A 70 -6.873 -6.872 8.951 1.00 0.38 N ATOM 666 CA GLY A 70 -7.199 -7.872 7.940 1.00 0.42 C ATOM 667 C GLY A 70 -6.102 -8.040 6.882 1.00 0.35 C ATOM 668 O GLY A 70 -6.023 -9.072 6.219 1.00 0.41 O ATOM 669 H GLY A 70 -7.422 -6.008 8.968 1.00 0.42 H ATOM 670 HA2 GLY A 70 -7.380 -8.834 8.422 1.00 0.50 H ATOM 671 HA3 GLY A 70 -8.115 -7.562 7.436 1.00 0.48 H ATOM 672 N MET A 71 -5.279 -7.010 6.684 1.00 0.25 N ATOM 673 CA MET A 71 -4.205 -6.978 5.708 1.00 0.21 C ATOM 674 C MET A 71 -3.054 -7.903 6.125 1.00 0.26 C ATOM 675 O MET A 71 -2.432 -7.653 7.161 1.00 0.35 O ATOM 676 CB MET A 71 -3.693 -5.543 5.608 1.00 0.22 C ATOM 677 CG MET A 71 -2.750 -5.351 4.434 1.00 0.15 C ATOM 678 SD MET A 71 -2.275 -3.622 4.220 1.00 0.13 S ATOM 679 CE MET A 71 -0.688 -3.958 3.423 1.00 0.16 C ATOM 680 H MET A 71 -5.354 -6.219 7.314 1.00 0.25 H ATOM 681 HA MET A 71 -4.642 -7.242 4.747 1.00 0.23 H ATOM 682 HB2 MET A 71 -4.530 -4.864 5.559 1.00 0.35 H ATOM 683 HB3 MET A 71 -3.122 -5.280 6.491 1.00 0.31 H ATOM 684 HG2 MET A 71 -1.847 -5.916 4.667 1.00 0.27 H ATOM 685 HG3 MET A 71 -3.162 -5.761 3.517 1.00 0.30 H ATOM 686 HE1 MET A 71 -0.863 -4.576 2.545 1.00 1.37 H ATOM 687 HE2 MET A 71 -0.211 -3.022 3.141 1.00 1.46 H ATOM 688 HE3 MET A 71 -0.042 -4.508 4.105 1.00 1.39 H ATOM 689 N PRO A 72 -2.709 -8.912 5.309 1.00 0.28 N ATOM 690 CA PRO A 72 -1.627 -9.828 5.593 1.00 0.45 C ATOM 691 C PRO A 72 -0.279 -9.176 5.346 1.00 0.75 C ATOM 692 O PRO A 72 0.025 -8.724 4.245 1.00 2.05 O ATOM 693 CB PRO A 72 -1.801 -11.015 4.661 1.00 0.27 C ATOM 694 CG PRO A 72 -2.630 -10.474 3.491 1.00 0.24 C ATOM 695 CD PRO A 72 -3.314 -9.213 4.030 1.00 0.22 C ATOM 696 HA PRO A 72 -1.699 -10.176 6.626 1.00 0.62 H ATOM 697 HB2 PRO A 72 -0.843 -11.413 4.318 1.00 0.32 H ATOM 698 HB3 PRO A 72 -2.329 -11.762 5.245 1.00 0.38 H ATOM 699 HG2 PRO A 72 -1.959 -10.197 2.677 1.00 0.41 H ATOM 700 HG3 PRO A 72 -3.353 -11.210 3.137 1.00 0.35 H ATOM 701 HD2 PRO A 72 -3.143 -8.378 3.357 1.00 0.28 H ATOM 702 HD3 PRO A 72 -4.380 -9.370 4.141 1.00 0.20 H ATOM 703 N GLY A 73 0.537 -9.153 6.388 1.00 0.67 N ATOM 704 CA GLY A 73 1.848 -8.556 6.323 1.00 0.55 C ATOM 705 C GLY A 73 2.787 -9.190 5.316 1.00 0.44 C ATOM 706 O GLY A 73 2.873 -10.410 5.193 1.00 0.61 O ATOM 707 H GLY A 73 0.147 -9.416 7.276 1.00 1.68 H ATOM 708 HA2 GLY A 73 1.684 -7.564 5.924 1.00 0.49 H ATOM 709 HA3 GLY A 73 2.313 -8.529 7.309 1.00 0.59 H ATOM 710 N GLY A 74 3.500 -8.314 4.605 1.00 0.21 N ATOM 711 CA GLY A 74 4.516 -8.749 3.656 1.00 0.20 C ATOM 712 C GLY A 74 3.879 -9.134 2.326 1.00 0.27 C ATOM 713 O GLY A 74 4.252 -10.132 1.713 1.00 0.54 O ATOM 714 H GLY A 74 3.312 -7.315 4.744 1.00 0.15 H ATOM 715 HA2 GLY A 74 5.222 -7.938 3.487 1.00 0.20 H ATOM 716 HA3 GLY A 74 5.061 -9.608 4.053 1.00 0.22 H ATOM 717 N ILE A 75 2.925 -8.318 1.882 1.00 0.16 N ATOM 718 CA ILE A 75 2.281 -8.438 0.586 1.00 0.18 C ATOM 719 C ILE A 75 3.324 -8.220 -0.521 1.00 0.19 C ATOM 720 O ILE A 75 3.526 -9.091 -1.365 1.00 0.31 O ATOM 721 CB ILE A 75 1.080 -7.467 0.579 1.00 0.21 C ATOM 722 CG1 ILE A 75 -0.187 -8.248 0.950 1.00 0.28 C ATOM 723 CG2 ILE A 75 0.864 -6.806 -0.799 1.00 0.26 C ATOM 724 CD1 ILE A 75 -1.203 -7.309 1.592 1.00 1.23 C ATOM 725 H ILE A 75 2.658 -7.543 2.472 1.00 0.27 H ATOM 726 HA ILE A 75 1.915 -9.459 0.463 1.00 0.24 H ATOM 727 HB ILE A 75 1.203 -6.715 1.380 1.00 0.21 H ATOM 728 HG12 ILE A 75 -0.617 -8.702 0.056 1.00 0.93 H ATOM 729 HG13 ILE A 75 0.039 -9.037 1.667 1.00 0.94 H ATOM 730 HG21 ILE A 75 -0.027 -6.190 -0.792 1.00 1.45 H ATOM 731 HG22 ILE A 75 1.696 -6.163 -1.075 1.00 1.56 H ATOM 732 HG23 ILE A 75 0.745 -7.569 -1.569 1.00 1.30 H ATOM 733 HD11 ILE A 75 -0.939 -7.118 2.630 1.00 2.19 H ATOM 734 HD12 ILE A 75 -1.204 -6.364 1.068 1.00 2.08 H ATOM 735 HD13 ILE A 75 -2.191 -7.755 1.531 1.00 1.99 H ATOM 736 N ALA A 76 3.989 -7.062 -0.503 1.00 0.14 N ATOM 737 CA ALA A 76 5.195 -6.781 -1.268 1.00 0.18 C ATOM 738 C ALA A 76 6.423 -6.971 -0.370 1.00 0.35 C ATOM 739 O ALA A 76 6.301 -6.859 0.851 1.00 0.40 O ATOM 740 CB ALA A 76 5.125 -5.340 -1.777 1.00 0.21 C ATOM 741 H ALA A 76 3.700 -6.361 0.156 1.00 0.14 H ATOM 742 HA ALA A 76 5.259 -7.461 -2.117 1.00 0.24 H ATOM 743 HB1 ALA A 76 4.378 -5.263 -2.567 1.00 1.34 H ATOM 744 HB2 ALA A 76 4.864 -4.667 -0.962 1.00 1.53 H ATOM 745 HB3 ALA A 76 6.099 -5.048 -2.165 1.00 1.49 H ATOM 746 N LYS A 77 7.596 -7.244 -0.955 1.00 0.48 N ATOM 747 CA LYS A 77 8.858 -7.418 -0.233 1.00 0.69 C ATOM 748 C LYS A 77 10.037 -6.897 -1.058 1.00 0.81 C ATOM 749 O LYS A 77 10.024 -6.926 -2.284 1.00 0.95 O ATOM 750 CB LYS A 77 9.075 -8.899 0.113 1.00 0.83 C ATOM 751 CG LYS A 77 8.463 -9.312 1.463 1.00 0.95 C ATOM 752 CD LYS A 77 7.709 -10.647 1.363 1.00 2.29 C ATOM 753 CE LYS A 77 7.806 -11.483 2.646 1.00 2.28 C ATOM 754 NZ LYS A 77 9.134 -12.121 2.785 1.00 2.75 N ATOM 755 H LYS A 77 7.620 -7.274 -1.982 1.00 0.46 H ATOM 756 HA LYS A 77 8.835 -6.828 0.685 1.00 0.72 H ATOM 757 HB2 LYS A 77 8.678 -9.491 -0.709 1.00 1.03 H ATOM 758 HB3 LYS A 77 10.146 -9.105 0.171 1.00 1.06 H ATOM 759 HG2 LYS A 77 9.269 -9.359 2.195 1.00 1.76 H ATOM 760 HG3 LYS A 77 7.761 -8.555 1.815 1.00 1.35 H ATOM 761 HD2 LYS A 77 6.659 -10.414 1.171 1.00 3.34 H ATOM 762 HD3 LYS A 77 8.063 -11.239 0.517 1.00 3.40 H ATOM 763 HE2 LYS A 77 7.596 -10.857 3.516 1.00 2.30 H ATOM 764 HE3 LYS A 77 7.047 -12.268 2.602 1.00 3.09 H ATOM 765 HZ1 LYS A 77 9.852 -11.419 2.889 1.00 2.91 H ATOM 766 HZ2 LYS A 77 9.144 -12.724 3.596 1.00 3.31 H ATOM 767 HZ3 LYS A 77 9.334 -12.677 1.965 1.00 3.49 H ATOM 768 N GLY A 78 11.088 -6.448 -0.370 1.00 0.81 N ATOM 769 CA GLY A 78 12.232 -5.815 -1.006 1.00 0.83 C ATOM 770 C GLY A 78 11.870 -4.413 -1.501 1.00 0.67 C ATOM 771 O GLY A 78 10.835 -3.857 -1.123 1.00 0.71 O ATOM 772 H GLY A 78 11.046 -6.462 0.636 1.00 0.78 H ATOM 773 HA2 GLY A 78 13.051 -5.744 -0.290 1.00 1.05 H ATOM 774 HA3 GLY A 78 12.560 -6.424 -1.850 1.00 0.82 H ATOM 775 N ALA A 79 12.711 -3.868 -2.388 1.00 0.62 N ATOM 776 CA ALA A 79 12.560 -2.535 -2.969 1.00 0.75 C ATOM 777 C ALA A 79 11.172 -2.308 -3.576 1.00 0.64 C ATOM 778 O ALA A 79 10.736 -1.169 -3.693 1.00 0.78 O ATOM 779 CB ALA A 79 13.641 -2.316 -4.031 1.00 0.95 C ATOM 780 H ALA A 79 13.540 -4.385 -2.636 1.00 0.64 H ATOM 781 HA ALA A 79 12.708 -1.795 -2.178 1.00 0.94 H ATOM 782 HB1 ALA A 79 14.629 -2.377 -3.571 1.00 2.12 H ATOM 783 HB2 ALA A 79 13.557 -3.070 -4.814 1.00 1.54 H ATOM 784 HB3 ALA A 79 13.521 -1.327 -4.474 1.00 1.49 H ATOM 785 N GLU A 80 10.482 -3.385 -3.960 1.00 0.49 N ATOM 786 CA GLU A 80 9.073 -3.382 -4.317 1.00 0.53 C ATOM 787 C GLU A 80 8.268 -2.545 -3.306 1.00 0.57 C ATOM 788 O GLU A 80 7.686 -1.514 -3.647 1.00 0.97 O ATOM 789 CB GLU A 80 8.622 -4.851 -4.337 1.00 0.48 C ATOM 790 CG GLU A 80 7.192 -5.077 -4.829 1.00 0.87 C ATOM 791 CD GLU A 80 6.752 -6.528 -4.664 1.00 1.32 C ATOM 792 OE1 GLU A 80 7.129 -7.127 -3.631 1.00 2.61 O ATOM 793 OE2 GLU A 80 6.019 -7.006 -5.554 1.00 2.03 O ATOM 794 H GLU A 80 10.918 -4.287 -3.842 1.00 0.43 H ATOM 795 HA GLU A 80 8.969 -2.949 -5.310 1.00 0.62 H ATOM 796 HB2 GLU A 80 9.285 -5.442 -4.971 1.00 0.53 H ATOM 797 HB3 GLU A 80 8.683 -5.243 -3.325 1.00 0.92 H ATOM 798 HG2 GLU A 80 6.516 -4.455 -4.252 1.00 1.26 H ATOM 799 HG3 GLU A 80 7.128 -4.806 -5.881 1.00 0.92 H ATOM 800 N ALA A 81 8.257 -2.984 -2.045 1.00 0.23 N ATOM 801 CA ALA A 81 7.481 -2.352 -0.988 1.00 0.17 C ATOM 802 C ALA A 81 7.926 -0.902 -0.799 1.00 0.20 C ATOM 803 O ALA A 81 7.089 -0.007 -0.695 1.00 0.23 O ATOM 804 CB ALA A 81 7.619 -3.155 0.308 1.00 0.19 C ATOM 805 H ALA A 81 8.878 -3.747 -1.804 1.00 0.26 H ATOM 806 HA ALA A 81 6.430 -2.355 -1.280 1.00 0.20 H ATOM 807 HB1 ALA A 81 7.027 -2.680 1.091 1.00 1.38 H ATOM 808 HB2 ALA A 81 7.251 -4.170 0.157 1.00 1.40 H ATOM 809 HB3 ALA A 81 8.662 -3.195 0.623 1.00 1.35 H ATOM 810 N GLU A 82 9.242 -0.678 -0.769 1.00 0.21 N ATOM 811 CA GLU A 82 9.834 0.645 -0.639 1.00 0.20 C ATOM 812 C GLU A 82 9.293 1.596 -1.712 1.00 0.19 C ATOM 813 O GLU A 82 8.780 2.673 -1.407 1.00 0.18 O ATOM 814 CB GLU A 82 11.361 0.525 -0.721 1.00 0.24 C ATOM 815 CG GLU A 82 11.921 -0.409 0.360 1.00 0.67 C ATOM 816 CD GLU A 82 13.431 -0.259 0.473 1.00 0.83 C ATOM 817 OE1 GLU A 82 13.854 0.808 0.966 1.00 1.99 O ATOM 818 OE2 GLU A 82 14.128 -1.202 0.043 1.00 1.64 O ATOM 819 H GLU A 82 9.865 -1.469 -0.855 1.00 0.21 H ATOM 820 HA GLU A 82 9.578 1.057 0.336 1.00 0.22 H ATOM 821 HB2 GLU A 82 11.670 0.168 -1.702 1.00 0.37 H ATOM 822 HB3 GLU A 82 11.802 1.510 -0.582 1.00 0.49 H ATOM 823 HG2 GLU A 82 11.489 -0.148 1.324 1.00 1.07 H ATOM 824 HG3 GLU A 82 11.687 -1.450 0.141 1.00 1.01 H ATOM 825 N ALA A 83 9.402 1.182 -2.977 1.00 0.21 N ATOM 826 CA ALA A 83 8.948 1.952 -4.121 1.00 0.24 C ATOM 827 C ALA A 83 7.468 2.285 -3.964 1.00 0.22 C ATOM 828 O ALA A 83 7.076 3.443 -4.095 1.00 0.23 O ATOM 829 CB ALA A 83 9.220 1.176 -5.414 1.00 0.31 C ATOM 830 H ALA A 83 9.793 0.263 -3.150 1.00 0.25 H ATOM 831 HA ALA A 83 9.514 2.885 -4.154 1.00 0.26 H ATOM 832 HB1 ALA A 83 8.922 1.778 -6.273 1.00 1.41 H ATOM 833 HB2 ALA A 83 10.285 0.955 -5.493 1.00 1.73 H ATOM 834 HB3 ALA A 83 8.660 0.241 -5.426 1.00 1.67 H ATOM 835 N VAL A 84 6.649 1.274 -3.655 1.00 0.22 N ATOM 836 CA VAL A 84 5.230 1.489 -3.414 1.00 0.20 C ATOM 837 C VAL A 84 5.005 2.542 -2.325 1.00 0.17 C ATOM 838 O VAL A 84 4.247 3.484 -2.527 1.00 0.18 O ATOM 839 CB VAL A 84 4.532 0.165 -3.078 1.00 0.20 C ATOM 840 CG1 VAL A 84 3.097 0.454 -2.630 1.00 0.19 C ATOM 841 CG2 VAL A 84 4.500 -0.753 -4.304 1.00 0.30 C ATOM 842 H VAL A 84 7.033 0.337 -3.557 1.00 0.23 H ATOM 843 HA VAL A 84 4.788 1.875 -4.333 1.00 0.24 H ATOM 844 HB VAL A 84 5.050 -0.347 -2.268 1.00 0.20 H ATOM 845 HG11 VAL A 84 3.092 0.863 -1.621 1.00 1.46 H ATOM 846 HG12 VAL A 84 2.647 1.186 -3.296 1.00 1.47 H ATOM 847 HG13 VAL A 84 2.517 -0.466 -2.646 1.00 1.43 H ATOM 848 HG21 VAL A 84 4.011 -0.251 -5.137 1.00 1.39 H ATOM 849 HG22 VAL A 84 5.505 -1.020 -4.613 1.00 1.59 H ATOM 850 HG23 VAL A 84 3.954 -1.662 -4.057 1.00 1.59 H ATOM 851 N ALA A 85 5.628 2.372 -1.161 1.00 0.17 N ATOM 852 CA ALA A 85 5.500 3.295 -0.041 1.00 0.16 C ATOM 853 C ALA A 85 5.846 4.732 -0.442 1.00 0.16 C ATOM 854 O ALA A 85 5.058 5.646 -0.210 1.00 0.18 O ATOM 855 CB ALA A 85 6.374 2.828 1.121 1.00 0.16 C ATOM 856 H ALA A 85 6.178 1.531 -1.043 1.00 0.20 H ATOM 857 HA ALA A 85 4.462 3.273 0.293 1.00 0.18 H ATOM 858 HB1 ALA A 85 7.431 2.912 0.868 1.00 1.32 H ATOM 859 HB2 ALA A 85 6.163 3.449 1.989 1.00 1.30 H ATOM 860 HB3 ALA A 85 6.147 1.791 1.359 1.00 1.25 H ATOM 861 N ALA A 86 7.014 4.933 -1.057 1.00 0.18 N ATOM 862 CA ALA A 86 7.438 6.244 -1.544 1.00 0.21 C ATOM 863 C ALA A 86 6.407 6.813 -2.524 1.00 0.22 C ATOM 864 O ALA A 86 5.971 7.956 -2.407 1.00 0.30 O ATOM 865 CB ALA A 86 8.834 6.147 -2.169 1.00 0.27 C ATOM 866 H ALA A 86 7.605 4.124 -1.236 1.00 0.19 H ATOM 867 HA ALA A 86 7.503 6.940 -0.709 1.00 0.24 H ATOM 868 HB1 ALA A 86 8.975 6.947 -2.896 1.00 1.25 H ATOM 869 HB2 ALA A 86 9.586 6.251 -1.385 1.00 1.20 H ATOM 870 HB3 ALA A 86 8.970 5.186 -2.667 1.00 1.26 H ATOM 871 N TRP A 87 5.983 5.998 -3.486 1.00 0.23 N ATOM 872 CA TRP A 87 4.973 6.394 -4.452 1.00 0.29 C ATOM 873 C TRP A 87 3.685 6.827 -3.738 1.00 0.28 C ATOM 874 O TRP A 87 3.117 7.866 -4.061 1.00 0.38 O ATOM 875 CB TRP A 87 4.785 5.222 -5.414 1.00 0.31 C ATOM 876 CG TRP A 87 3.762 5.350 -6.494 1.00 0.38 C ATOM 877 CD1 TRP A 87 3.849 6.159 -7.571 1.00 0.46 C ATOM 878 CD2 TRP A 87 2.508 4.624 -6.641 1.00 0.41 C ATOM 879 NE1 TRP A 87 2.738 5.986 -8.371 1.00 0.50 N ATOM 880 CE2 TRP A 87 1.850 5.088 -7.817 1.00 0.45 C ATOM 881 CE3 TRP A 87 1.855 3.621 -5.898 1.00 0.47 C ATOM 882 CZ2 TRP A 87 0.585 4.622 -8.206 1.00 0.44 C ATOM 883 CZ3 TRP A 87 0.550 3.217 -6.231 1.00 0.47 C ATOM 884 CH2 TRP A 87 -0.079 3.701 -7.384 1.00 0.42 C ATOM 885 H TRP A 87 6.347 5.051 -3.530 1.00 0.22 H ATOM 886 HA TRP A 87 5.351 7.246 -5.020 1.00 0.33 H ATOM 887 HB2 TRP A 87 5.751 5.051 -5.891 1.00 0.32 H ATOM 888 HB3 TRP A 87 4.533 4.341 -4.831 1.00 0.29 H ATOM 889 HD1 TRP A 87 4.674 6.828 -7.766 1.00 0.50 H ATOM 890 HE1 TRP A 87 2.613 6.461 -9.255 1.00 0.50 H ATOM 891 HE3 TRP A 87 2.333 3.195 -5.023 1.00 0.54 H ATOM 892 HZ2 TRP A 87 0.121 4.979 -9.113 1.00 0.47 H ATOM 893 HZ3 TRP A 87 0.011 2.554 -5.581 1.00 0.54 H ATOM 894 HH2 TRP A 87 -1.075 3.362 -7.619 1.00 0.42 H ATOM 895 N LEU A 88 3.246 6.058 -2.740 1.00 0.22 N ATOM 896 CA LEU A 88 2.075 6.350 -1.917 1.00 0.26 C ATOM 897 C LEU A 88 2.263 7.630 -1.106 1.00 0.23 C ATOM 898 O LEU A 88 1.310 8.394 -0.966 1.00 0.30 O ATOM 899 CB LEU A 88 1.723 5.156 -1.008 1.00 0.36 C ATOM 900 CG LEU A 88 0.750 4.109 -1.592 1.00 0.66 C ATOM 901 CD1 LEU A 88 -0.667 4.247 -1.031 1.00 1.34 C ATOM 902 CD2 LEU A 88 0.612 4.161 -3.100 1.00 1.60 C ATOM 903 H LEU A 88 3.771 5.212 -2.551 1.00 0.23 H ATOM 904 HA LEU A 88 1.234 6.559 -2.573 1.00 0.37 H ATOM 905 HB2 LEU A 88 2.642 4.657 -0.706 1.00 0.44 H ATOM 906 HB3 LEU A 88 1.260 5.542 -0.107 1.00 0.35 H ATOM 907 HG LEU A 88 1.147 3.116 -1.371 1.00 1.90 H ATOM 908 HD11 LEU A 88 -1.344 3.614 -1.609 1.00 1.92 H ATOM 909 HD12 LEU A 88 -0.687 3.942 0.015 1.00 2.18 H ATOM 910 HD13 LEU A 88 -1.001 5.282 -1.126 1.00 2.40 H ATOM 911 HD21 LEU A 88 -0.053 4.961 -3.425 1.00 2.11 H ATOM 912 HD22 LEU A 88 1.605 4.324 -3.489 1.00 2.78 H ATOM 913 HD23 LEU A 88 0.221 3.203 -3.438 1.00 2.52 H ATOM 914 N ALA A 89 3.466 7.908 -0.596 1.00 0.21 N ATOM 915 CA ALA A 89 3.749 9.216 -0.013 1.00 0.31 C ATOM 916 C ALA A 89 3.432 10.328 -1.016 1.00 0.41 C ATOM 917 O ALA A 89 2.856 11.346 -0.636 1.00 0.55 O ATOM 918 CB ALA A 89 5.176 9.305 0.525 1.00 0.42 C ATOM 919 H ALA A 89 4.217 7.228 -0.681 1.00 0.20 H ATOM 920 HA ALA A 89 3.094 9.353 0.845 1.00 0.37 H ATOM 921 HB1 ALA A 89 5.388 10.332 0.827 1.00 1.66 H ATOM 922 HB2 ALA A 89 5.258 8.663 1.399 1.00 1.33 H ATOM 923 HB3 ALA A 89 5.908 9.009 -0.221 1.00 1.45 H ATOM 924 N GLU A 90 3.727 10.114 -2.303 1.00 0.44 N ATOM 925 CA GLU A 90 3.320 11.015 -3.378 1.00 0.62 C ATOM 926 C GLU A 90 1.931 10.684 -3.965 1.00 1.03 C ATOM 927 O GLU A 90 1.645 11.076 -5.094 1.00 2.11 O ATOM 928 CB GLU A 90 4.425 11.086 -4.452 1.00 0.46 C ATOM 929 CG GLU A 90 5.388 12.252 -4.187 1.00 1.38 C ATOM 930 CD GLU A 90 6.326 12.471 -5.368 1.00 2.08 C ATOM 931 OE1 GLU A 90 5.824 12.979 -6.393 1.00 2.53 O ATOM 932 OE2 GLU A 90 7.519 12.130 -5.226 1.00 3.31 O ATOM 933 H GLU A 90 4.212 9.258 -2.554 1.00 0.41 H ATOM 934 HA GLU A 90 3.215 12.017 -2.965 1.00 0.87 H ATOM 935 HB2 GLU A 90 4.986 10.151 -4.496 1.00 1.14 H ATOM 936 HB3 GLU A 90 3.996 11.259 -5.440 1.00 1.05 H ATOM 937 HG2 GLU A 90 4.823 13.175 -4.060 1.00 2.12 H ATOM 938 HG3 GLU A 90 5.969 12.062 -3.284 1.00 2.09 H ATOM 939 N LYS A 91 1.020 10.053 -3.209 1.00 0.48 N ATOM 940 CA LYS A 91 -0.393 9.973 -3.575 1.00 0.58 C ATOM 941 C LYS A 91 -1.259 10.578 -2.472 1.00 0.64 C ATOM 942 O LYS A 91 -1.229 10.140 -1.321 1.00 0.65 O ATOM 943 CB LYS A 91 -0.820 8.545 -3.920 1.00 0.59 C ATOM 944 CG LYS A 91 -0.117 8.061 -5.196 1.00 0.66 C ATOM 945 CD LYS A 91 -0.972 7.113 -6.050 1.00 0.84 C ATOM 946 CE LYS A 91 -2.196 7.794 -6.704 1.00 0.96 C ATOM 947 NZ LYS A 91 -3.481 7.620 -5.972 1.00 2.26 N ATOM 948 H LYS A 91 1.269 9.699 -2.292 1.00 0.91 H ATOM 949 HA LYS A 91 -0.581 10.568 -4.470 1.00 0.68 H ATOM 950 HB2 LYS A 91 -0.625 7.868 -3.088 1.00 0.61 H ATOM 951 HB3 LYS A 91 -1.893 8.581 -4.081 1.00 0.77 H ATOM 952 HG2 LYS A 91 0.178 8.912 -5.814 1.00 0.88 H ATOM 953 HG3 LYS A 91 0.803 7.551 -4.905 1.00 0.89 H ATOM 954 HD2 LYS A 91 -0.311 6.796 -6.860 1.00 1.60 H ATOM 955 HD3 LYS A 91 -1.243 6.221 -5.483 1.00 1.65 H ATOM 956 HE2 LYS A 91 -1.988 8.857 -6.842 1.00 1.79 H ATOM 957 HE3 LYS A 91 -2.324 7.354 -7.697 1.00 1.91 H ATOM 958 HZ1 LYS A 91 -4.230 8.157 -6.389 1.00 2.82 H ATOM 959 HZ2 LYS A 91 -3.780 6.659 -5.977 1.00 3.14 H ATOM 960 HZ3 LYS A 91 -3.491 7.939 -5.008 1.00 2.95 H ATOM 961 N LYS A 92 -1.973 11.642 -2.842 1.00 0.84 N ATOM 962 CA LYS A 92 -2.961 12.384 -2.104 1.00 1.13 C ATOM 963 C LYS A 92 -3.906 12.939 -3.169 1.00 1.51 C ATOM 964 O LYS A 92 -3.503 12.851 -4.355 1.00 2.83 O ATOM 965 CB LYS A 92 -2.295 13.556 -1.381 1.00 1.30 C ATOM 966 CG LYS A 92 -1.324 13.090 -0.297 1.00 1.27 C ATOM 967 CD LYS A 92 0.127 12.851 -0.752 1.00 2.20 C ATOM 968 CE LYS A 92 1.064 14.008 -0.388 1.00 1.53 C ATOM 969 NZ LYS A 92 0.871 15.165 -1.282 1.00 2.72 N ATOM 970 OXT LYS A 92 -4.955 13.490 -2.776 1.00 1.91 O ATOM 971 H LYS A 92 -1.994 11.957 -3.804 1.00 0.97 H ATOM 972 HA LYS A 92 -3.508 11.734 -1.419 1.00 1.23 H ATOM 973 HB2 LYS A 92 -1.796 14.202 -2.103 1.00 1.71 H ATOM 974 HB3 LYS A 92 -3.094 14.127 -0.904 1.00 1.98 H ATOM 975 HG2 LYS A 92 -1.339 13.853 0.466 1.00 1.65 H ATOM 976 HG3 LYS A 92 -1.721 12.175 0.148 1.00 2.39 H ATOM 977 HD2 LYS A 92 0.480 11.959 -0.233 1.00 3.38 H ATOM 978 HD3 LYS A 92 0.193 12.653 -1.821 1.00 3.59 H ATOM 979 HE2 LYS A 92 0.904 14.296 0.652 1.00 1.73 H ATOM 980 HE3 LYS A 92 2.100 13.676 -0.483 1.00 1.73 H ATOM 981 HZ1 LYS A 92 -0.109 15.401 -1.333 1.00 3.66 H ATOM 982 HZ2 LYS A 92 1.395 15.956 -0.934 1.00 2.79 H ATOM 983 HZ3 LYS A 92 1.205 14.934 -2.208 1.00 3.54 H TER 984 LYS A 92 HETATM 985 FE HEC A 93 -3.598 -2.568 2.512 1.00 0.10 FE HETATM 986 CHA HEC A 93 -4.740 -1.052 5.468 1.00 0.13 C HETATM 987 CHB HEC A 93 -1.326 -0.004 2.107 1.00 0.14 C HETATM 988 CHC HEC A 93 -2.259 -4.322 -0.044 1.00 0.16 C HETATM 989 CHD HEC A 93 -6.126 -4.985 2.868 1.00 0.14 C HETATM 990 NA HEC A 93 -3.107 -0.849 3.600 1.00 0.11 N HETATM 991 C1A HEC A 93 -3.701 -0.440 4.761 1.00 0.12 C HETATM 992 C2A HEC A 93 -3.084 0.809 5.147 1.00 0.14 C HETATM 993 C3A HEC A 93 -2.124 1.111 4.205 1.00 0.15 C HETATM 994 C4A HEC A 93 -2.149 0.049 3.225 1.00 0.13 C HETATM 995 CMA HEC A 93 -1.170 2.290 4.228 1.00 0.19 C HETATM 996 CAA HEC A 93 -3.446 1.634 6.360 1.00 0.19 C HETATM 997 CBA HEC A 93 -4.868 2.221 6.317 1.00 0.85 C HETATM 998 CGA HEC A 93 -5.818 1.607 7.342 1.00 1.64 C HETATM 999 O1A HEC A 93 -5.335 1.194 8.418 1.00 2.74 O HETATM 1000 O2A HEC A 93 -7.016 1.520 7.009 1.00 2.70 O HETATM 1001 NB HEC A 93 -2.102 -2.201 1.227 1.00 0.12 N HETATM 1002 C1B HEC A 93 -1.317 -1.082 1.217 1.00 0.14 C HETATM 1003 C2B HEC A 93 -0.450 -1.186 0.071 1.00 0.16 C HETATM 1004 C3B HEC A 93 -0.607 -2.458 -0.443 1.00 0.16 C HETATM 1005 C4B HEC A 93 -1.714 -3.068 0.256 1.00 0.14 C HETATM 1006 CMB HEC A 93 0.392 -0.072 -0.509 1.00 0.18 C HETATM 1007 CAB HEC A 93 0.134 -3.054 -1.622 1.00 0.19 C HETATM 1008 CBB HEC A 93 1.624 -3.306 -1.376 1.00 0.20 C HETATM 1009 NC HEC A 93 -4.087 -4.357 1.600 1.00 0.12 N HETATM 1010 C1C HEC A 93 -3.380 -4.865 0.575 1.00 0.15 C HETATM 1011 C2C HEC A 93 -4.006 -6.104 0.180 1.00 0.17 C HETATM 1012 C3C HEC A 93 -5.126 -6.276 0.959 1.00 0.16 C HETATM 1013 C4C HEC A 93 -5.162 -5.161 1.881 1.00 0.13 C HETATM 1014 CMC HEC A 93 -3.583 -6.968 -0.975 1.00 0.20 C HETATM 1015 CAC HEC A 93 -6.155 -7.389 0.818 1.00 0.21 C HETATM 1016 CBC HEC A 93 -5.627 -8.787 1.153 1.00 0.34 C HETATM 1017 ND HEC A 93 -5.166 -2.939 3.906 1.00 0.10 N HETATM 1018 C1D HEC A 93 -6.073 -3.963 3.811 1.00 0.12 C HETATM 1019 C2D HEC A 93 -6.979 -3.845 4.927 1.00 0.14 C HETATM 1020 C3D HEC A 93 -6.570 -2.767 5.674 1.00 0.14 C HETATM 1021 C4D HEC A 93 -5.424 -2.182 5.016 1.00 0.12 C HETATM 1022 CMD HEC A 93 -8.149 -4.744 5.269 1.00 0.16 C HETATM 1023 CAD HEC A 93 -7.162 -2.394 7.011 1.00 0.20 C HETATM 1024 CBD HEC A 93 -6.614 -3.318 8.092 1.00 0.40 C HETATM 1025 CGD HEC A 93 -7.583 -3.511 9.240 1.00 1.07 C HETATM 1026 O1D HEC A 93 -7.560 -2.668 10.160 1.00 1.85 O HETATM 1027 O2D HEC A 93 -8.308 -4.529 9.182 1.00 2.53 O HETATM 1028 HHA HEC A 93 -5.066 -0.600 6.388 1.00 0.16 H HETATM 1029 HHB HEC A 93 -0.622 0.797 1.966 1.00 0.16 H HETATM 1030 HHC HEC A 93 -1.827 -4.910 -0.830 1.00 0.18 H HETATM 1031 HHD HEC A 93 -6.913 -5.710 2.956 1.00 0.17 H HETATM 1032 HMA1 HEC A 93 -0.254 2.005 4.749 1.00 1.50 H HETATM 1033 HMA2 HEC A 93 -0.921 2.621 3.220 1.00 1.52 H HETATM 1034 HMA3 HEC A 93 -1.618 3.145 4.733 1.00 1.69 H HETATM 1035 HAA1 HEC A 93 -2.753 2.465 6.460 1.00 0.57 H HETATM 1036 HAA2 HEC A 93 -3.299 1.010 7.240 1.00 0.62 H HETATM 1037 HBA1 HEC A 93 -5.294 2.084 5.322 1.00 1.68 H HETATM 1038 HBA2 HEC A 93 -4.831 3.291 6.514 1.00 1.78 H HETATM 1039 HMB1 HEC A 93 1.384 -0.448 -0.715 1.00 1.07 H HETATM 1040 HMB2 HEC A 93 -0.062 0.289 -1.433 1.00 1.19 H HETATM 1041 HMB3 HEC A 93 0.492 0.780 0.158 1.00 1.23 H HETATM 1042 HAB HEC A 93 -0.271 -4.022 -1.891 1.00 0.20 H HETATM 1043 HBB1 HEC A 93 1.734 -3.957 -0.508 1.00 1.32 H HETATM 1044 HBB2 HEC A 93 2.062 -3.797 -2.245 1.00 1.32 H HETATM 1045 HBB3 HEC A 93 2.172 -2.387 -1.190 1.00 1.47 H HETATM 1046 HMC1 HEC A 93 -3.977 -7.976 -0.883 1.00 1.44 H HETATM 1047 HMC2 HEC A 93 -3.973 -6.505 -1.879 1.00 1.55 H HETATM 1048 HMC3 HEC A 93 -2.498 -7.037 -1.033 1.00 1.65 H HETATM 1049 HAC HEC A 93 -7.000 -7.205 1.476 1.00 0.23 H HETATM 1050 HBC1 HEC A 93 -6.398 -9.349 1.682 1.00 1.24 H HETATM 1051 HBC2 HEC A 93 -5.361 -9.337 0.251 1.00 1.62 H HETATM 1052 HBC3 HEC A 93 -4.749 -8.708 1.787 1.00 1.50 H HETATM 1053 HMD1 HEC A 93 -8.158 -4.954 6.338 1.00 1.37 H HETATM 1054 HMD2 HEC A 93 -9.080 -4.239 5.013 1.00 1.43 H HETATM 1055 HMD3 HEC A 93 -8.109 -5.697 4.749 1.00 1.49 H HETATM 1056 HAD1 HEC A 93 -8.243 -2.526 6.962 1.00 0.29 H HETATM 1057 HAD2 HEC A 93 -6.971 -1.356 7.289 1.00 0.27 H HETATM 1058 HBD1 HEC A 93 -5.671 -2.935 8.452 1.00 0.66 H HETATM 1059 HBD2 HEC A 93 -6.415 -4.290 7.661 1.00 0.72 H