ATOM 1 N PRO A 1 -11.842 0.780 3.518 1.00 0.94 N ATOM 2 CA PRO A 1 -10.747 0.330 2.630 1.00 0.45 C ATOM 3 C PRO A 1 -9.398 0.539 3.301 1.00 0.37 C ATOM 4 O PRO A 1 -9.279 1.317 4.250 1.00 0.55 O ATOM 5 CB PRO A 1 -10.819 1.111 1.333 1.00 1.13 C ATOM 6 CG PRO A 1 -12.230 1.569 1.297 1.00 1.31 C ATOM 7 CD PRO A 1 -12.658 1.741 2.740 1.00 1.20 C ATOM 8 H2 PRO A 1 -11.370 1.142 4.365 1.00 1.42 H ATOM 9 H3 PRO A 1 -12.286 -0.104 3.856 1.00 1.38 H ATOM 10 HA PRO A 1 -10.880 -0.724 2.423 1.00 1.10 H ATOM 11 HB2 PRO A 1 -10.129 1.942 1.367 1.00 1.56 H ATOM 12 HB3 PRO A 1 -10.588 0.467 0.496 1.00 1.61 H ATOM 13 HG2 PRO A 1 -12.292 2.512 0.773 1.00 2.09 H ATOM 14 HG3 PRO A 1 -12.846 0.829 0.809 1.00 1.47 H ATOM 15 HD2 PRO A 1 -12.462 2.751 3.066 1.00 1.99 H ATOM 16 HD3 PRO A 1 -13.709 1.517 2.844 1.00 1.32 H ATOM 17 N PHE A 2 -8.385 -0.155 2.806 1.00 0.25 N ATOM 18 CA PHE A 2 -7.048 -0.061 3.366 1.00 0.26 C ATOM 19 C PHE A 2 -6.315 1.118 2.746 1.00 0.26 C ATOM 20 O PHE A 2 -6.440 1.361 1.548 1.00 0.37 O ATOM 21 CB PHE A 2 -6.272 -1.354 3.111 1.00 0.34 C ATOM 22 CG PHE A 2 -6.864 -2.550 3.798 1.00 0.32 C ATOM 23 CD1 PHE A 2 -7.763 -3.364 3.134 1.00 0.31 C ATOM 24 CD2 PHE A 2 -6.525 -2.859 5.104 1.00 0.39 C ATOM 25 CE1 PHE A 2 -8.313 -4.466 3.759 1.00 0.32 C ATOM 26 CE2 PHE A 2 -7.070 -3.958 5.735 1.00 0.41 C ATOM 27 CZ PHE A 2 -7.952 -4.761 5.075 1.00 0.35 C ATOM 28 H PHE A 2 -8.533 -0.729 2.022 1.00 0.33 H ATOM 29 HA PHE A 2 -7.139 0.096 4.429 1.00 0.30 H ATOM 30 HB2 PHE A 2 -6.253 -1.553 2.049 1.00 0.39 H ATOM 31 HB3 PHE A 2 -5.258 -1.234 3.467 1.00 0.41 H ATOM 32 HD1 PHE A 2 -8.033 -3.134 2.114 1.00 0.36 H ATOM 33 HD2 PHE A 2 -5.823 -2.229 5.633 1.00 0.46 H ATOM 34 HE1 PHE A 2 -9.013 -5.093 3.230 1.00 0.36 H ATOM 35 HE2 PHE A 2 -6.798 -4.189 6.754 1.00 0.51 H ATOM 36 HZ PHE A 2 -8.374 -5.622 5.570 1.00 0.39 H HETATM 37 N 9KK A 3 -5.550 1.877 3.535 1.00 0.29 N HETATM 38 CE 9KK A 3 -6.472 6.981 4.136 1.00 0.99 C HETATM 39 CD 9KK A 3 -7.182 5.734 4.623 1.00 0.93 C HETATM 40 CG 9KK A 3 -6.798 4.537 3.769 1.00 0.85 C HETATM 41 CB 9KK A 3 -5.317 4.212 3.888 1.00 0.45 C HETATM 42 CA 9KK A 3 -4.862 3.056 2.991 1.00 0.31 C HETATM 43 CM 9KK A 3 -5.388 1.522 4.964 1.00 0.43 C HETATM 44 C 9KK A 3 -3.343 2.938 3.016 1.00 0.39 C HETATM 45 O 9KK A 3 -2.757 2.286 3.885 1.00 0.68 O HETATM 46 HE3 9KK A 3 -6.724 7.159 3.101 1.00 1.42 H HETATM 47 HE2 9KK A 3 -6.782 7.827 4.732 1.00 1.57 H HETATM 48 HE1 9KK A 3 -5.404 6.849 4.228 1.00 1.25 H HETATM 49 HD2 9KK A 3 -6.898 5.550 5.648 1.00 1.00 H HETATM 50 HD3 9KK A 3 -8.247 5.895 4.558 1.00 0.93 H HETATM 51 HG2 9KK A 3 -7.373 3.679 4.090 1.00 1.24 H HETATM 52 HG3 9KK A 3 -7.024 4.756 2.740 1.00 1.05 H HETATM 53 HB2 9KK A 3 -4.755 5.094 3.622 1.00 0.54 H HETATM 54 HB3 9KK A 3 -5.107 3.959 4.917 1.00 0.83 H HETATM 55 HA 9KK A 3 -5.178 3.252 1.976 1.00 0.24 H HETATM 56 HM1 9KK A 3 -4.532 2.040 5.369 1.00 1.10 H HETATM 57 HM3 9KK A 3 -6.274 1.810 5.510 1.00 0.98 H HETATM 58 HM2 9KK A 3 -5.238 0.457 5.055 1.00 1.22 H ATOM 59 N CYS A 4 -2.708 3.559 2.039 1.00 0.22 N ATOM 60 CA CYS A 4 -1.265 3.661 2.027 1.00 0.30 C ATOM 61 C CYS A 4 -0.823 4.649 3.101 1.00 0.67 C ATOM 62 O CYS A 4 -0.064 4.288 4.000 1.00 1.71 O ATOM 63 CB CYS A 4 -0.761 4.099 0.647 1.00 0.29 C ATOM 64 SG CYS A 4 1.020 4.394 0.606 1.00 0.40 S ATOM 65 H CYS A 4 -3.228 3.956 1.305 1.00 0.25 H ATOM 66 HA CYS A 4 -0.861 2.690 2.261 1.00 0.57 H ATOM 67 HB2 CYS A 4 -0.988 3.329 -0.076 1.00 0.50 H ATOM 68 HB3 CYS A 4 -1.258 5.014 0.363 1.00 0.45 H ATOM 69 N THR A 5 -1.314 5.879 3.012 1.00 0.40 N ATOM 70 CA THR A 5 -1.002 6.911 3.995 1.00 0.47 C ATOM 71 C THR A 5 0.515 7.109 4.117 1.00 0.41 C ATOM 72 O THR A 5 1.062 7.253 5.214 1.00 0.54 O ATOM 73 CB THR A 5 -1.603 6.558 5.372 1.00 0.82 C ATOM 74 OG1 THR A 5 -2.890 5.947 5.194 1.00 1.39 O ATOM 75 CG2 THR A 5 -1.757 7.800 6.239 1.00 1.47 C ATOM 76 H THR A 5 -1.908 6.101 2.268 1.00 1.12 H ATOM 77 HA THR A 5 -1.447 7.835 3.658 1.00 0.62 H ATOM 78 HB THR A 5 -0.944 5.863 5.872 1.00 1.13 H ATOM 79 HG1 THR A 5 -3.465 6.192 5.929 1.00 1.89 H ATOM 80 HG21 THR A 5 -2.151 7.519 7.204 1.00 1.77 H ATOM 81 HG22 THR A 5 -2.435 8.493 5.761 1.00 2.12 H ATOM 82 HG23 THR A 5 -0.793 8.270 6.367 1.00 1.94 H ATOM 83 N TRP A 6 1.189 7.067 2.978 1.00 0.37 N ATOM 84 CA TRP A 6 2.608 7.365 2.909 1.00 0.47 C ATOM 85 C TRP A 6 2.760 8.855 2.640 1.00 0.61 C ATOM 86 O TRP A 6 1.798 9.499 2.219 1.00 0.63 O ATOM 87 CB TRP A 6 3.255 6.531 1.793 1.00 0.47 C ATOM 88 CG TRP A 6 4.757 6.527 1.784 1.00 0.60 C ATOM 89 CD1 TRP A 6 5.577 7.479 1.254 1.00 0.73 C ATOM 90 CD2 TRP A 6 5.614 5.499 2.293 1.00 0.67 C ATOM 91 NE1 TRP A 6 6.890 7.121 1.432 1.00 0.85 N ATOM 92 CE2 TRP A 6 6.940 5.908 2.060 1.00 0.82 C ATOM 93 CE3 TRP A 6 5.392 4.277 2.930 1.00 0.68 C ATOM 94 CZ2 TRP A 6 8.036 5.136 2.441 1.00 0.94 C ATOM 95 CZ3 TRP A 6 6.480 3.513 3.306 1.00 0.82 C ATOM 96 CH2 TRP A 6 7.786 3.945 3.061 1.00 0.94 C ATOM 97 H TRP A 6 0.712 6.840 2.153 1.00 0.38 H ATOM 98 HA TRP A 6 3.062 7.122 3.858 1.00 0.51 H ATOM 99 HB2 TRP A 6 2.929 5.509 1.890 1.00 0.43 H ATOM 100 HB3 TRP A 6 2.925 6.910 0.844 1.00 0.47 H ATOM 101 HD1 TRP A 6 5.230 8.386 0.785 1.00 0.78 H ATOM 102 HE1 TRP A 6 7.670 7.649 1.147 1.00 0.97 H ATOM 103 HE3 TRP A 6 4.392 3.925 3.128 1.00 0.61 H ATOM 104 HZ2 TRP A 6 9.051 5.456 2.259 1.00 1.06 H ATOM 105 HZ3 TRP A 6 6.327 2.566 3.798 1.00 0.88 H ATOM 106 HH2 TRP A 6 8.605 3.315 3.371 1.00 1.05 H HETATM 107 N AIB A 7 3.939 9.397 2.908 1.00 0.79 N HETATM 108 CA AIB A 7 4.223 10.817 2.674 1.00 0.99 C HETATM 109 C AIB A 7 3.874 11.188 1.218 1.00 0.94 C HETATM 110 O AIB A 7 4.590 10.814 0.287 1.00 0.94 O HETATM 111 CB1 AIB A 7 5.695 11.077 2.924 1.00 1.21 C HETATM 112 CB2 AIB A 7 3.437 11.671 3.656 1.00 1.13 C HETATM 113 H AIB A 7 4.643 8.830 3.280 1.00 0.83 H HETATM 114 HB11 AIB A 7 5.909 12.123 2.758 1.00 1.51 H HETATM 115 HB12 AIB A 7 6.285 10.479 2.247 1.00 1.83 H HETATM 116 HB13 AIB A 7 5.940 10.817 3.942 1.00 1.48 H HETATM 117 HB21 AIB A 7 2.386 11.446 3.565 1.00 1.35 H HETATM 118 HB22 AIB A 7 3.602 12.714 3.437 1.00 1.60 H HETATM 119 HB23 AIB A 7 3.765 11.456 4.662 1.00 1.63 H ATOM 120 N GLY A 8 2.766 11.902 1.030 1.00 0.95 N ATOM 121 CA GLY A 8 2.374 12.344 -0.297 1.00 0.93 C ATOM 122 C GLY A 8 1.653 11.274 -1.097 1.00 0.76 C ATOM 123 O GLY A 8 1.486 11.407 -2.310 1.00 0.83 O ATOM 124 H GLY A 8 2.211 12.137 1.801 1.00 1.01 H ATOM 125 HA2 GLY A 8 1.723 13.200 -0.199 1.00 1.03 H ATOM 126 HA3 GLY A 8 3.262 12.642 -0.839 1.00 0.99 H ATOM 127 N CYS A 9 1.217 10.217 -0.427 1.00 0.61 N ATOM 128 CA CYS A 9 0.572 9.106 -1.104 1.00 0.55 C ATOM 129 C CYS A 9 -0.560 8.520 -0.257 1.00 0.92 C ATOM 130 O CYS A 9 -0.345 7.599 0.536 1.00 1.94 O ATOM 131 CB CYS A 9 1.614 8.036 -1.414 1.00 0.42 C ATOM 132 SG CYS A 9 1.007 6.667 -2.418 1.00 0.36 S ATOM 133 H CYS A 9 1.345 10.178 0.545 1.00 0.60 H ATOM 134 HA CYS A 9 0.163 9.474 -2.032 1.00 0.54 H ATOM 135 HB2 CYS A 9 2.442 8.489 -1.939 1.00 0.40 H ATOM 136 HB3 CYS A 9 1.970 7.627 -0.487 1.00 0.62 H ATOM 137 N GLY A 10 -1.765 9.049 -0.434 1.00 0.51 N ATOM 138 CA GLY A 10 -2.916 8.563 0.311 1.00 0.65 C ATOM 139 C GLY A 10 -3.757 7.599 -0.504 1.00 0.58 C ATOM 140 O GLY A 10 -4.985 7.686 -0.511 1.00 0.90 O ATOM 141 H GLY A 10 -1.880 9.779 -1.078 1.00 1.03 H ATOM 142 HA2 GLY A 10 -2.570 8.060 1.202 1.00 0.78 H ATOM 143 HA3 GLY A 10 -3.527 9.404 0.599 1.00 0.82 H ATOM 144 N LYS A 11 -3.086 6.686 -1.196 1.00 0.37 N ATOM 145 CA LYS A 11 -3.746 5.698 -2.048 1.00 0.28 C ATOM 146 C LYS A 11 -4.624 4.748 -1.231 1.00 0.22 C ATOM 147 O LYS A 11 -4.301 4.435 -0.085 1.00 0.28 O ATOM 148 CB LYS A 11 -2.688 4.891 -2.807 1.00 0.36 C ATOM 149 CG LYS A 11 -1.877 5.705 -3.800 1.00 0.42 C ATOM 150 CD LYS A 11 -2.665 6.001 -5.061 1.00 0.67 C ATOM 151 CE LYS A 11 -1.829 6.777 -6.063 1.00 1.05 C ATOM 152 NZ LYS A 11 -2.508 6.890 -7.379 1.00 1.40 N1+ ATOM 153 H LYS A 11 -2.111 6.679 -1.136 1.00 0.51 H ATOM 154 HA LYS A 11 -4.363 6.227 -2.755 1.00 0.30 H ATOM 155 HB2 LYS A 11 -2.007 4.458 -2.091 1.00 0.43 H ATOM 156 HB3 LYS A 11 -3.181 4.093 -3.345 1.00 0.39 H ATOM 157 HG2 LYS A 11 -1.596 6.639 -3.338 1.00 0.81 H ATOM 158 HG3 LYS A 11 -0.987 5.149 -4.062 1.00 0.69 H ATOM 159 HD2 LYS A 11 -2.970 5.066 -5.509 1.00 0.84 H ATOM 160 HD3 LYS A 11 -3.537 6.582 -4.804 1.00 1.18 H ATOM 161 HE2 LYS A 11 -1.651 7.769 -5.675 1.00 1.67 H ATOM 162 HE3 LYS A 11 -0.886 6.271 -6.198 1.00 1.72 H ATOM 163 HZ1 LYS A 11 -1.907 7.414 -8.046 1.00 1.79 H ATOM 164 HZ2 LYS A 11 -3.411 7.395 -7.278 1.00 1.89 H ATOM 165 HZ3 LYS A 11 -2.694 5.942 -7.768 1.00 1.93 H HETATM 166 N MMO A 12 -5.748 4.278 -1.805 1.00 0.18 N HETATM 167 CA MMO A 12 -6.612 3.305 -1.103 1.00 0.17 C HETATM 168 C MMO A 12 -6.799 1.995 -1.873 1.00 0.14 C HETATM 169 O MMO A 12 -6.915 1.977 -3.101 1.00 0.25 O HETATM 170 CB MMO A 12 -7.954 4.024 -0.936 1.00 0.28 C HETATM 171 CG MMO A 12 -7.891 5.235 -0.021 1.00 0.38 C HETATM 172 CD MMO A 12 -9.263 5.857 0.169 1.00 0.55 C HETATM 173 NE MMO A 12 -9.809 6.374 -1.085 1.00 1.09 N HETATM 174 CZ MMO A 12 -11.096 6.647 -1.285 1.00 1.58 C HETATM 175 NH2 MMO A 12 -11.983 6.447 -0.317 1.00 1.59 N HETATM 176 NH1 MMO A 12 -11.501 7.117 -2.458 1.00 2.55 N HETATM 177 CN MMO A 12 -6.123 4.750 -3.158 1.00 0.27 C HETATM 178 HA MMO A 12 -6.211 3.074 -0.128 1.00 0.21 H HETATM 179 HCB1 MMO A 12 -8.669 3.328 -0.523 1.00 0.32 H HETATM 180 HCB2 MMO A 12 -8.300 4.349 -1.905 1.00 0.31 H HETATM 181 HCG1 MMO A 12 -7.229 5.970 -0.457 1.00 0.37 H HETATM 182 HCG2 MMO A 12 -7.506 4.929 0.938 1.00 0.41 H HETATM 183 HCD1 MMO A 12 -9.184 6.667 0.879 1.00 1.24 H HETATM 184 HCD2 MMO A 12 -9.932 5.102 0.556 1.00 1.20 H HETATM 185 HH21 MMO A 12 -11.689 6.091 0.572 1.00 1.64 H HETATM 186 HH22 MMO A 12 -12.954 6.654 -0.473 1.00 2.05 H HETATM 187 HH11 MMO A 12 -12.471 7.321 -2.611 1.00 2.91 H HETATM 188 HC1 MMO A 12 -5.268 4.675 -3.815 1.00 1.00 H HETATM 189 HC2 MMO A 12 -6.448 5.778 -3.104 1.00 1.08 H HETATM 190 HC3 MMO A 12 -6.924 4.138 -3.544 1.00 1.02 H HETATM 191 HE MMO A 12 -9.174 6.524 -1.824 1.00 1.66 H HETATM 192 HH12 MMO A 12 -10.835 7.276 -3.196 1.00 3.06 H ATOM 193 N PHE A 13 -6.834 0.898 -1.137 1.00 0.13 N ATOM 194 CA PHE A 13 -6.905 -0.430 -1.728 1.00 0.12 C ATOM 195 C PHE A 13 -7.921 -1.294 -0.996 1.00 0.16 C ATOM 196 O PHE A 13 -8.343 -0.975 0.118 1.00 0.32 O ATOM 197 CB PHE A 13 -5.525 -1.088 -1.690 1.00 0.18 C ATOM 198 CG PHE A 13 -4.508 -0.341 -2.500 1.00 0.23 C ATOM 199 CD1 PHE A 13 -4.273 -0.689 -3.818 1.00 0.27 C ATOM 200 CD2 PHE A 13 -3.775 0.690 -1.939 1.00 0.28 C ATOM 201 CE1 PHE A 13 -3.324 -0.026 -4.563 1.00 0.33 C ATOM 202 CE2 PHE A 13 -2.826 1.361 -2.682 1.00 0.35 C ATOM 203 CZ PHE A 13 -2.660 1.079 -3.999 1.00 0.36 C ATOM 204 H PHE A 13 -6.812 0.981 -0.159 1.00 0.24 H ATOM 205 HA PHE A 13 -7.214 -0.322 -2.756 1.00 0.13 H ATOM 206 HB2 PHE A 13 -5.176 -1.122 -0.669 1.00 0.22 H ATOM 207 HB3 PHE A 13 -5.596 -2.091 -2.079 1.00 0.19 H ATOM 208 HD1 PHE A 13 -4.838 -1.496 -4.262 1.00 0.28 H ATOM 209 HD2 PHE A 13 -3.955 0.972 -0.911 1.00 0.30 H ATOM 210 HE1 PHE A 13 -3.152 -0.309 -5.592 1.00 0.38 H ATOM 211 HE2 PHE A 13 -2.258 2.165 -2.235 1.00 0.41 H ATOM 212 HZ PHE A 13 -1.941 1.635 -4.583 1.00 0.41 H ATOM 213 N THR A 14 -8.305 -2.389 -1.633 1.00 0.20 N ATOM 214 CA THR A 14 -9.349 -3.259 -1.113 1.00 0.26 C ATOM 215 C THR A 14 -8.784 -4.321 -0.169 1.00 0.18 C ATOM 216 O THR A 14 -9.449 -4.732 0.780 1.00 0.32 O ATOM 217 CB THR A 14 -10.112 -3.936 -2.272 1.00 0.46 C ATOM 218 OG1 THR A 14 -10.529 -2.937 -3.217 1.00 1.31 O ATOM 219 CG2 THR A 14 -11.332 -4.693 -1.764 1.00 0.93 C ATOM 220 H THR A 14 -7.873 -2.621 -2.484 1.00 0.30 H ATOM 221 HA THR A 14 -10.047 -2.647 -0.564 1.00 0.34 H ATOM 222 HB THR A 14 -9.450 -4.634 -2.765 1.00 1.25 H ATOM 223 HG1 THR A 14 -9.772 -2.673 -3.756 1.00 1.99 H ATOM 224 HG21 THR A 14 -11.018 -5.464 -1.076 1.00 1.54 H ATOM 225 HG22 THR A 14 -11.850 -5.143 -2.598 1.00 1.62 H ATOM 226 HG23 THR A 14 -11.995 -4.007 -1.257 1.00 1.52 H ATOM 227 N ARG A 15 -7.561 -4.764 -0.428 1.00 0.16 N ATOM 228 CA ARG A 15 -6.927 -5.769 0.416 1.00 0.16 C ATOM 229 C ARG A 15 -5.633 -5.245 1.015 1.00 0.14 C ATOM 230 O ARG A 15 -4.884 -4.507 0.367 1.00 0.14 O ATOM 231 CB ARG A 15 -6.638 -7.029 -0.386 1.00 0.29 C ATOM 232 CG ARG A 15 -7.881 -7.755 -0.863 1.00 0.31 C ATOM 233 CD ARG A 15 -7.508 -8.984 -1.666 1.00 0.92 C ATOM 234 NE ARG A 15 -8.672 -9.741 -2.109 1.00 1.27 N ATOM 235 CZ ARG A 15 -8.593 -10.866 -2.816 1.00 1.98 C ATOM 236 NH1 ARG A 15 -7.406 -11.354 -3.157 1.00 2.51 N1+ ATOM 237 NH2 ARG A 15 -9.695 -11.501 -3.180 1.00 2.55 N ATOM 238 H ARG A 15 -7.075 -4.418 -1.208 1.00 0.29 H ATOM 239 HA ARG A 15 -7.610 -6.009 1.216 1.00 0.19 H ATOM 240 HB2 ARG A 15 -6.050 -6.762 -1.249 1.00 0.36 H ATOM 241 HB3 ARG A 15 -6.066 -7.706 0.229 1.00 0.38 H ATOM 242 HG2 ARG A 15 -8.461 -8.058 -0.004 1.00 0.57 H ATOM 243 HG3 ARG A 15 -8.465 -7.089 -1.481 1.00 0.65 H ATOM 244 HD2 ARG A 15 -6.949 -8.672 -2.533 1.00 1.45 H ATOM 245 HD3 ARG A 15 -6.889 -9.622 -1.052 1.00 1.50 H ATOM 246 HE ARG A 15 -9.561 -9.393 -1.864 1.00 1.47 H ATOM 247 HH11 ARG A 15 -6.566 -10.881 -2.882 1.00 2.52 H ATOM 248 HH12 ARG A 15 -7.344 -12.204 -3.688 1.00 3.13 H ATOM 249 HH21 ARG A 15 -10.596 -11.139 -2.922 1.00 2.68 H ATOM 250 HH22 ARG A 15 -9.637 -12.348 -3.715 1.00 3.07 H ATOM 251 N SER A 16 -5.375 -5.658 2.252 1.00 0.15 N ATOM 252 CA SER A 16 -4.195 -5.232 2.990 1.00 0.17 C ATOM 253 C SER A 16 -2.923 -5.751 2.338 1.00 0.15 C ATOM 254 O SER A 16 -1.881 -5.094 2.382 1.00 0.17 O ATOM 255 CB SER A 16 -4.287 -5.711 4.438 1.00 0.24 C ATOM 256 OG SER A 16 -4.606 -7.093 4.501 1.00 1.27 O ATOM 257 H SER A 16 -6.008 -6.274 2.689 1.00 0.17 H ATOM 258 HA SER A 16 -4.171 -4.153 2.978 1.00 0.18 H ATOM 259 HB2 SER A 16 -3.339 -5.551 4.928 1.00 1.04 H ATOM 260 HB3 SER A 16 -5.056 -5.154 4.950 1.00 1.05 H ATOM 261 HG SER A 16 -3.899 -7.564 4.959 1.00 1.61 H HETATM 262 OE1 B3D A 17 0.000 -10.049 0.360 1.00 2.20 O HETATM 263 CD B3D A 17 -0.053 -9.263 1.331 1.00 1.42 C HETATM 264 OE2 B3D A 17 0.969 -8.873 1.937 1.00 2.21 O HETATM 265 CG B3D A 17 -1.412 -8.768 1.801 1.00 0.28 C HETATM 266 CB B3D A 17 -1.868 -7.494 1.072 1.00 0.19 C HETATM 267 N B3D A 17 -3.002 -6.932 1.746 1.00 0.15 N HETATM 268 CA B3D A 17 -2.233 -7.894 -0.356 1.00 0.16 C HETATM 269 C B3D A 17 -1.907 -6.827 -1.364 1.00 0.15 C HETATM 270 O B3D A 17 -0.741 -6.567 -1.667 1.00 0.20 O HETATM 271 HG3 B3D A 17 -1.354 -8.566 2.858 1.00 1.07 H HETATM 272 HG2 B3D A 17 -2.136 -9.550 1.629 1.00 0.93 H HETATM 273 HB B3D A 17 -1.094 -6.703 1.061 1.00 0.20 H HETATM 274 H B3D A 17 -3.847 -7.433 1.778 1.00 0.16 H HETATM 275 HA1 B3D A 17 -1.688 -8.788 -0.616 1.00 0.22 H HETATM 276 HA2 B3D A 17 -3.292 -8.096 -0.405 1.00 0.15 H ATOM 277 N GLU A 18 -2.957 -6.182 -1.864 1.00 0.14 N ATOM 278 CA GLU A 18 -2.825 -5.101 -2.828 1.00 0.21 C ATOM 279 C GLU A 18 -2.109 -3.911 -2.201 1.00 0.15 C ATOM 280 O GLU A 18 -1.260 -3.285 -2.830 1.00 0.18 O ATOM 281 CB GLU A 18 -4.205 -4.660 -3.310 1.00 0.39 C ATOM 282 CG GLU A 18 -5.062 -5.797 -3.838 1.00 0.56 C ATOM 283 CD GLU A 18 -6.464 -5.348 -4.188 1.00 1.75 C ATOM 284 OE1 GLU A 18 -7.080 -4.627 -3.376 1.00 2.68 O ATOM 285 OE2 GLU A 18 -6.957 -5.720 -5.276 1.00 2.01 O1- ATOM 286 H GLU A 18 -3.852 -6.445 -1.575 1.00 0.13 H ATOM 287 HA GLU A 18 -2.251 -5.462 -3.666 1.00 0.29 H ATOM 288 HB2 GLU A 18 -4.729 -4.201 -2.485 1.00 0.42 H ATOM 289 HB3 GLU A 18 -4.085 -3.931 -4.098 1.00 0.44 H ATOM 290 HG2 GLU A 18 -4.597 -6.204 -4.724 1.00 0.84 H ATOM 291 HG3 GLU A 18 -5.124 -6.564 -3.083 1.00 0.95 H ATOM 292 N LEU A 19 -2.464 -3.606 -0.959 1.00 0.15 N ATOM 293 CA LEU A 19 -1.876 -2.486 -0.247 1.00 0.17 C ATOM 294 C LEU A 19 -0.382 -2.717 -0.019 1.00 0.16 C ATOM 295 O LEU A 19 0.445 -1.905 -0.428 1.00 0.19 O ATOM 296 CB LEU A 19 -2.627 -2.275 1.079 1.00 0.22 C ATOM 297 CG LEU A 19 -2.208 -1.073 1.940 1.00 0.31 C ATOM 298 CD1 LEU A 19 -0.990 -1.398 2.787 1.00 0.69 C ATOM 299 CD2 LEU A 19 -1.937 0.142 1.072 1.00 0.86 C ATOM 300 H LEU A 19 -3.153 -4.147 -0.509 1.00 0.16 H ATOM 301 HA LEU A 19 -1.999 -1.608 -0.863 1.00 0.21 H ATOM 302 HB2 LEU A 19 -3.677 -2.168 0.851 1.00 0.26 H ATOM 303 HB3 LEU A 19 -2.504 -3.169 1.673 1.00 0.20 H ATOM 304 HG LEU A 19 -3.017 -0.827 2.610 1.00 0.82 H ATOM 305 HD11 LEU A 19 -1.223 -2.214 3.453 1.00 1.31 H ATOM 306 HD12 LEU A 19 -0.710 -0.529 3.363 1.00 1.20 H ATOM 307 HD13 LEU A 19 -0.170 -1.682 2.142 1.00 1.31 H ATOM 308 HD21 LEU A 19 -2.820 0.376 0.500 1.00 1.38 H ATOM 309 HD22 LEU A 19 -1.116 -0.067 0.402 1.00 1.53 H ATOM 310 HD23 LEU A 19 -1.684 0.979 1.700 1.00 1.36 H ATOM 311 N GLN A 20 -0.045 -3.826 0.626 1.00 0.16 N ATOM 312 CA GLN A 20 1.345 -4.129 0.950 1.00 0.21 C ATOM 313 C GLN A 20 2.182 -4.320 -0.314 1.00 0.16 C ATOM 314 O GLN A 20 3.238 -3.703 -0.474 1.00 0.16 O ATOM 315 CB GLN A 20 1.436 -5.378 1.830 1.00 0.30 C ATOM 316 CG GLN A 20 2.840 -5.663 2.344 1.00 0.37 C ATOM 317 CD GLN A 20 3.221 -4.846 3.572 1.00 1.09 C ATOM 318 OE1 GLN A 20 4.037 -5.283 4.381 1.00 1.82 O ATOM 319 NE2 GLN A 20 2.626 -3.675 3.741 1.00 1.83 N ATOM 320 H GLN A 20 -0.751 -4.449 0.906 1.00 0.16 H ATOM 321 HA GLN A 20 1.742 -3.288 1.496 1.00 0.27 H ATOM 322 HB2 GLN A 20 0.783 -5.254 2.681 1.00 0.35 H ATOM 323 HB3 GLN A 20 1.108 -6.232 1.257 1.00 0.30 H ATOM 324 HG2 GLN A 20 2.907 -6.708 2.600 1.00 0.90 H ATOM 325 HG3 GLN A 20 3.544 -5.444 1.554 1.00 1.00 H ATOM 326 HE21 GLN A 20 1.969 -3.388 3.079 1.00 2.08 H ATOM 327 HE22 GLN A 20 2.873 -3.140 4.529 1.00 2.45 H HETATM 328 N HMR A 21 1.721 -5.168 -1.217 1.00 0.18 N HETATM 329 CA HMR A 21 2.450 -5.395 -2.431 1.00 0.19 C HETATM 330 CB HMR A 21 2.708 -6.896 -2.586 1.00 0.29 C HETATM 331 CG HMR A 21 3.456 -7.488 -1.405 1.00 0.51 C HETATM 332 CD HMR A 21 3.746 -8.966 -1.591 1.00 0.94 C HETATM 333 NE HMR A 21 4.438 -9.521 -0.431 1.00 1.75 N HETATM 334 CZ HMR A 21 5.300 -10.532 -0.485 1.00 2.14 C HETATM 335 NH1 HMR A 21 5.580 -11.116 -1.645 1.00 1.94 N HETATM 336 NH2 HMR A 21 5.900 -10.947 0.621 1.00 3.01 N HETATM 337 C HMR A 21 2.046 -3.533 -4.067 1.00 0.17 C HETATM 338 O HMR A 21 2.961 -3.326 -4.867 1.00 0.27 O HETATM 339 CH2 HMR A 21 1.664 -4.926 -3.652 1.00 0.16 C HETATM 340 H HMR A 21 0.869 -5.638 -1.063 1.00 0.22 H HETATM 341 HA HMR A 21 3.387 -4.809 -2.337 1.00 0.23 H HETATM 342 HB2 HMR A 21 3.292 -7.064 -3.477 1.00 0.35 H HETATM 343 HB3 HMR A 21 1.762 -7.405 -2.680 1.00 0.29 H HETATM 344 HG2 HMR A 21 2.858 -7.357 -0.514 1.00 0.69 H HETATM 345 HG3 HMR A 21 4.393 -6.964 -1.289 1.00 0.87 H HETATM 346 HD2 HMR A 21 4.366 -9.093 -2.465 1.00 1.35 H HETATM 347 HD3 HMR A 21 2.813 -9.490 -1.730 1.00 1.23 H HETATM 348 HE HMR A 21 4.237 -9.119 0.445 1.00 2.22 H HETATM 349 HH1 HMR A 21 5.141 -10.800 -2.491 1.00 1.68 H HETATM 350 HH21 HMR A 21 6.552 -11.711 0.586 1.00 3.31 H HETATM 351 HH22 HMR A 21 5.704 -10.504 1.498 1.00 3.45 H HETATM 352 HC1 HMR A 21 1.861 -5.595 -4.475 1.00 0.19 H HETATM 353 HC2 HMR A 21 0.607 -4.937 -3.425 1.00 0.14 H HETATM 354 HH2 HMR A 21 6.233 -11.878 -1.683 1.00 2.33 H ATOM 355 N HIS A 22 1.343 -2.568 -3.492 1.00 0.15 N ATOM 356 CA HIS A 22 1.598 -1.163 -3.742 1.00 0.15 C ATOM 357 C HIS A 22 2.813 -0.671 -2.957 1.00 0.13 C ATOM 358 O HIS A 22 3.740 -0.114 -3.549 1.00 0.12 O ATOM 359 CB HIS A 22 0.352 -0.341 -3.390 1.00 0.20 C ATOM 360 CG HIS A 22 0.607 1.131 -3.311 1.00 0.16 C ATOM 361 ND1 HIS A 22 0.528 2.003 -4.393 1.00 0.20 N ATOM 362 CD2 HIS A 22 0.996 1.878 -2.250 1.00 0.17 C ATOM 363 CE1 HIS A 22 0.882 3.222 -3.955 1.00 0.21 C ATOM 364 NE2 HIS A 22 1.166 3.169 -2.680 1.00 0.18 N ATOM 365 H HIS A 22 0.612 -2.816 -2.882 1.00 0.18 H ATOM 366 HA HIS A 22 1.800 -1.050 -4.793 1.00 0.16 H ATOM 367 HB2 HIS A 22 -0.403 -0.508 -4.142 1.00 0.25 H ATOM 368 HB3 HIS A 22 -0.024 -0.667 -2.432 1.00 0.25 H ATOM 369 HD1 HIS A 22 0.272 1.767 -5.312 1.00 0.24 H ATOM 370 HD2 HIS A 22 1.135 1.531 -1.238 1.00 0.21 H ATOM 371 HE1 HIS A 22 0.922 4.113 -4.564 1.00 0.27 H ATOM 372 N LYS A 23 2.799 -0.873 -1.630 1.00 0.18 N ATOM 373 CA LYS A 23 3.888 -0.408 -0.758 1.00 0.19 C ATOM 374 C LYS A 23 5.232 -0.766 -1.356 1.00 0.17 C ATOM 375 O LYS A 23 6.132 0.072 -1.449 1.00 0.18 O ATOM 376 CB LYS A 23 3.773 -1.009 0.644 1.00 0.27 C ATOM 377 CG LYS A 23 2.615 -0.466 1.462 1.00 0.73 C ATOM 378 CD LYS A 23 2.841 0.986 1.839 1.00 0.61 C ATOM 379 CE LYS A 23 1.788 1.470 2.819 1.00 0.85 C ATOM 380 NZ LYS A 23 2.104 2.822 3.348 1.00 1.01 N1+ ATOM 381 H LYS A 23 2.039 -1.349 -1.229 1.00 0.22 H ATOM 382 HA LYS A 23 3.819 0.665 -0.688 1.00 0.20 H ATOM 383 HB2 LYS A 23 3.650 -2.079 0.556 1.00 0.78 H ATOM 384 HB3 LYS A 23 4.689 -0.807 1.180 1.00 0.73 H ATOM 385 HG2 LYS A 23 1.708 -0.540 0.879 1.00 1.26 H ATOM 386 HG3 LYS A 23 2.514 -1.053 2.363 1.00 1.25 H ATOM 387 HD2 LYS A 23 3.817 1.086 2.291 1.00 0.85 H ATOM 388 HD3 LYS A 23 2.793 1.592 0.946 1.00 0.88 H ATOM 389 HE2 LYS A 23 0.834 1.505 2.314 1.00 1.56 H ATOM 390 HE3 LYS A 23 1.733 0.774 3.641 1.00 1.39 H ATOM 391 HZ1 LYS A 23 3.012 2.805 3.858 1.00 1.57 H ATOM 392 HZ2 LYS A 23 1.359 3.132 4.010 1.00 1.30 H ATOM 393 HZ3 LYS A 23 2.165 3.509 2.571 1.00 1.62 H HETATM 394 N HMR A 24 5.365 -2.012 -1.768 1.00 0.18 N HETATM 395 CA HMR A 24 6.573 -2.453 -2.396 1.00 0.20 C HETATM 396 CB HMR A 24 6.787 -3.935 -2.067 1.00 0.30 C HETATM 397 CG HMR A 24 8.048 -4.539 -2.655 1.00 0.34 C HETATM 398 CD HMR A 24 8.226 -5.968 -2.183 1.00 0.50 C HETATM 399 NE HMR A 24 9.370 -6.623 -2.809 1.00 0.95 N HETATM 400 CZ HMR A 24 9.719 -7.886 -2.571 1.00 1.35 C HETATM 401 NH1 HMR A 24 10.768 -8.411 -3.186 1.00 1.85 N HETATM 402 NH2 HMR A 24 9.016 -8.626 -1.719 1.00 1.46 N HETATM 403 C HMR A 24 7.166 -1.095 -4.473 1.00 0.18 C HETATM 404 O HMR A 24 8.375 -1.120 -4.720 1.00 0.27 O HETATM 405 CH2 HMR A 24 6.453 -2.308 -3.917 1.00 0.21 C HETATM 406 H HMR A 24 4.623 -2.648 -1.631 1.00 0.21 H HETATM 407 HA HMR A 24 7.384 -1.808 -2.012 1.00 0.21 H HETATM 408 HB2 HMR A 24 5.942 -4.495 -2.438 1.00 0.35 H HETATM 409 HB3 HMR A 24 6.833 -4.046 -0.994 1.00 0.37 H HETATM 410 HG2 HMR A 24 8.900 -3.955 -2.342 1.00 0.40 H HETATM 411 HG3 HMR A 24 7.975 -4.532 -3.731 1.00 0.38 H HETATM 412 HD2 HMR A 24 7.331 -6.523 -2.418 1.00 0.63 H HETATM 413 HD3 HMR A 24 8.372 -5.962 -1.112 1.00 0.77 H HETATM 414 HE HMR A 24 9.906 -6.089 -3.440 1.00 1.18 H HETATM 415 HH1 HMR A 24 11.305 -7.860 -3.831 1.00 2.03 H HETATM 416 HH21 HMR A 24 8.219 -8.237 -1.250 1.00 1.35 H HETATM 417 HH22 HMR A 24 9.278 -9.580 -1.540 1.00 1.83 H HETATM 418 HC1 HMR A 24 6.868 -3.185 -4.383 1.00 0.28 H HETATM 419 HC2 HMR A 24 5.408 -2.232 -4.179 1.00 0.23 H HETATM 420 HH2 HMR A 24 11.032 -9.362 -3.008 1.00 2.15 H ATOM 421 N THR A 25 6.409 -0.013 -4.652 1.00 0.16 N ATOM 422 CA THR A 25 6.931 1.195 -5.273 1.00 0.23 C ATOM 423 C THR A 25 7.719 2.045 -4.274 1.00 0.22 C ATOM 424 O THR A 25 8.715 2.676 -4.634 1.00 0.34 O ATOM 425 CB THR A 25 5.802 2.039 -5.924 1.00 0.34 C ATOM 426 OG1 THR A 25 6.354 3.170 -6.609 1.00 1.33 O ATOM 427 CG2 THR A 25 4.791 2.526 -4.894 1.00 1.09 C ATOM 428 H THR A 25 5.472 -0.034 -4.354 1.00 0.17 H ATOM 429 HA THR A 25 7.604 0.887 -6.058 1.00 0.30 H ATOM 430 HB THR A 25 5.286 1.417 -6.639 1.00 0.94 H ATOM 431 HG1 THR A 25 6.971 2.865 -7.287 1.00 1.98 H ATOM 432 HG21 THR A 25 4.040 3.128 -5.385 1.00 1.66 H ATOM 433 HG22 THR A 25 5.295 3.119 -4.147 1.00 1.47 H ATOM 434 HG23 THR A 25 4.318 1.677 -4.422 1.00 1.67 H ATOM 435 N HIS A 26 7.297 2.044 -3.015 1.00 0.20 N ATOM 436 CA HIS A 26 7.980 2.821 -1.993 1.00 0.25 C ATOM 437 C HIS A 26 9.194 2.055 -1.504 1.00 0.30 C ATOM 438 O HIS A 26 10.301 2.592 -1.439 1.00 0.38 O ATOM 439 CB HIS A 26 7.059 3.133 -0.807 1.00 0.25 C ATOM 440 CG HIS A 26 5.837 3.927 -1.155 1.00 0.24 C ATOM 441 ND1 HIS A 26 5.855 5.247 -1.596 1.00 0.29 N ATOM 442 CD2 HIS A 26 4.530 3.572 -1.091 1.00 0.25 C ATOM 443 CE1 HIS A 26 4.577 5.638 -1.774 1.00 0.30 C ATOM 444 NE2 HIS A 26 3.770 4.653 -1.478 1.00 0.25 N ATOM 445 H HIS A 26 6.523 1.487 -2.764 1.00 0.24 H ATOM 446 HA HIS A 26 8.307 3.746 -2.440 1.00 0.31 H ATOM 447 HB2 HIS A 26 6.728 2.203 -0.369 1.00 0.27 H ATOM 448 HB3 HIS A 26 7.617 3.690 -0.068 1.00 0.28 H ATOM 449 HD1 HIS A 26 6.654 5.798 -1.748 1.00 0.33 H ATOM 450 HD2 HIS A 26 4.143 2.615 -0.784 1.00 0.28 H ATOM 451 HE1 HIS A 26 4.268 6.617 -2.100 1.00 0.37 H HETATM 452 CG B3T A 27 9.674 -0.744 0.633 1.00 0.60 C HETATM 453 OD1 B3T A 27 8.510 -1.557 0.446 1.00 0.76 O HETATM 454 CD2 B3T A 27 9.411 0.292 1.715 1.00 0.76 C HETATM 455 CB B3T A 27 10.050 -0.071 -0.692 1.00 0.46 C HETATM 456 N B3T A 27 8.980 0.790 -1.175 1.00 0.36 N HETATM 457 CA B3T A 27 10.383 -1.125 -1.750 1.00 0.62 C HETATM 458 C B3T A 27 11.853 -1.497 -1.768 1.00 0.82 C HETATM 459 O B3T A 27 12.662 -0.915 -1.043 1.00 1.03 O HETATM 460 HG B3T A 27 10.496 -1.369 0.943 1.00 0.67 H HETATM 461 HOD1 B3T A 27 8.775 -2.489 0.408 1.00 1.25 H HETATM 462 H1D2 B3T A 27 10.302 0.882 1.870 1.00 1.25 H HETATM 463 H2D2 B3T A 27 9.145 -0.206 2.635 1.00 1.43 H HETATM 464 H3D2 B3T A 27 8.602 0.936 1.406 1.00 1.15 H HETATM 465 HB B3T A 27 10.917 0.535 -0.507 1.00 0.52 H HETATM 466 HN B3T A 27 8.068 0.421 -1.252 1.00 0.39 H HETATM 467 HA B3T A 27 10.118 -0.741 -2.722 1.00 0.63 H HETATM 468 HAA B3T A 27 9.807 -2.015 -1.550 1.00 0.70 H ATOM 469 N GLY A 28 12.200 -2.478 -2.591 1.00 1.30 N ATOM 470 CA GLY A 28 13.578 -2.916 -2.676 1.00 1.53 C ATOM 471 C GLY A 28 13.938 -3.892 -1.576 1.00 1.68 C ATOM 472 O GLY A 28 13.857 -5.103 -1.766 1.00 2.18 O ATOM 473 H GLY A 28 11.515 -2.909 -3.147 1.00 1.67 H ATOM 474 HA2 GLY A 28 13.733 -3.394 -3.632 1.00 1.86 H ATOM 475 HA3 GLY A 28 14.225 -2.055 -2.608 1.00 1.58 H ATOM 476 N GLU A 29 14.309 -3.370 -0.415 1.00 1.96 N ATOM 477 CA GLU A 29 14.735 -4.217 0.691 1.00 2.41 C ATOM 478 C GLU A 29 13.526 -4.822 1.401 1.00 2.39 C ATOM 479 O GLU A 29 13.527 -5.999 1.757 1.00 3.19 O ATOM 480 CB GLU A 29 15.587 -3.419 1.682 1.00 3.15 C ATOM 481 CG GLU A 29 16.285 -4.286 2.716 1.00 3.91 C ATOM 482 CD GLU A 29 17.190 -5.323 2.082 1.00 4.36 C ATOM 483 OE1 GLU A 29 16.759 -6.485 1.938 1.00 4.89 O ATOM 484 OE2 GLU A 29 18.340 -4.981 1.729 1.00 4.51 O1- ATOM 485 H GLU A 29 14.291 -2.396 -0.301 1.00 2.25 H ATOM 486 HA GLU A 29 15.331 -5.018 0.281 1.00 2.64 H ATOM 487 HB2 GLU A 29 16.340 -2.871 1.137 1.00 3.38 H ATOM 488 HB3 GLU A 29 14.950 -2.720 2.202 1.00 3.49 H ATOM 489 HG2 GLU A 29 16.880 -3.652 3.355 1.00 4.30 H ATOM 490 HG3 GLU A 29 15.537 -4.794 3.305 1.00 4.26 H ATOM 491 N LYS A 30 12.497 -4.012 1.607 1.00 1.95 N ATOM 492 CA LYS A 30 11.275 -4.484 2.241 1.00 2.32 C ATOM 493 C LYS A 30 10.268 -4.921 1.186 1.00 2.89 C ATOM 494 O LYS A 30 9.496 -4.113 0.667 1.00 3.15 O ATOM 495 CB LYS A 30 10.666 -3.394 3.125 1.00 2.23 C ATOM 496 CG LYS A 30 11.555 -2.969 4.282 1.00 2.98 C ATOM 497 CD LYS A 30 10.968 -1.769 5.003 1.00 3.35 C ATOM 498 CE LYS A 30 11.845 -1.321 6.158 1.00 3.96 C ATOM 499 NZ LYS A 30 11.356 -0.052 6.759 1.00 4.54 N1+ ATOM 500 H LYS A 30 12.560 -3.075 1.323 1.00 1.83 H ATOM 501 HA LYS A 30 11.527 -5.337 2.854 1.00 2.86 H ATOM 502 HB2 LYS A 30 10.465 -2.527 2.520 1.00 2.41 H ATOM 503 HB3 LYS A 30 9.735 -3.759 3.532 1.00 2.30 H ATOM 504 HG2 LYS A 30 11.643 -3.789 4.978 1.00 3.30 H ATOM 505 HG3 LYS A 30 12.530 -2.709 3.898 1.00 3.48 H ATOM 506 HD2 LYS A 30 10.869 -0.953 4.303 1.00 3.50 H ATOM 507 HD3 LYS A 30 9.994 -2.036 5.388 1.00 3.54 H ATOM 508 HE2 LYS A 30 11.844 -2.091 6.914 1.00 4.07 H ATOM 509 HE3 LYS A 30 12.851 -1.174 5.795 1.00 4.35 H ATOM 510 HZ1 LYS A 30 11.461 0.728 6.079 1.00 4.69 H ATOM 511 HZ2 LYS A 30 11.900 0.172 7.616 1.00 4.86 H ATOM 512 HZ3 LYS A 30 10.352 -0.140 7.015 1.00 4.84 H HETATM 513 N NH2 A 31 10.288 -6.200 0.860 1.00 3.54 N HETATM 514 HN1 NH2 A 31 10.932 -6.783 1.315 1.00 3.61 H HETATM 515 HN2 NH2 A 31 9.660 -6.514 0.178 1.00 4.13 H TER 516 NH2 A 31 HETATM 517 ZN ZN A 101 1.777 4.686 -1.548 1.00 0.26 ZN