ATOM 1 N PRO A 1 -11.613 -0.064 4.398 1.00 0.94 N ATOM 2 CA PRO A 1 -10.593 -0.135 3.331 1.00 0.45 C ATOM 3 C PRO A 1 -9.220 0.217 3.887 1.00 0.37 C ATOM 4 O PRO A 1 -9.112 0.797 4.968 1.00 0.55 O ATOM 5 CB PRO A 1 -10.972 0.829 2.217 1.00 1.13 C ATOM 6 CG PRO A 1 -12.304 1.349 2.632 1.00 1.31 C ATOM 7 CD PRO A 1 -12.394 1.157 4.130 1.00 1.20 C ATOM 8 H2 PRO A 1 -11.081 -0.097 5.285 1.00 1.42 H ATOM 9 H3 PRO A 1 -12.094 -0.994 4.371 1.00 1.38 H ATOM 10 HA PRO A 1 -10.568 -1.143 2.942 1.00 1.10 H ATOM 11 HB2 PRO A 1 -10.239 1.620 2.153 1.00 1.56 H ATOM 12 HB3 PRO A 1 -11.028 0.300 1.275 1.00 1.61 H ATOM 13 HG2 PRO A 1 -12.378 2.396 2.384 1.00 2.09 H ATOM 14 HG3 PRO A 1 -13.086 0.792 2.138 1.00 1.47 H ATOM 15 HD2 PRO A 1 -11.962 2.005 4.642 1.00 1.99 H ATOM 16 HD3 PRO A 1 -13.423 1.024 4.429 1.00 1.32 H ATOM 17 N PHE A 2 -8.180 -0.123 3.144 1.00 0.25 N ATOM 18 CA PHE A 2 -6.813 0.117 3.579 1.00 0.26 C ATOM 19 C PHE A 2 -6.210 1.264 2.778 1.00 0.26 C ATOM 20 O PHE A 2 -6.374 1.321 1.564 1.00 0.37 O ATOM 21 CB PHE A 2 -5.967 -1.147 3.391 1.00 0.34 C ATOM 22 CG PHE A 2 -6.557 -2.371 4.030 1.00 0.32 C ATOM 23 CD1 PHE A 2 -7.299 -3.272 3.282 1.00 0.31 C ATOM 24 CD2 PHE A 2 -6.372 -2.620 5.378 1.00 0.39 C ATOM 25 CE1 PHE A 2 -7.843 -4.397 3.870 1.00 0.32 C ATOM 26 CE2 PHE A 2 -6.914 -3.745 5.970 1.00 0.41 C ATOM 27 CZ PHE A 2 -7.651 -4.635 5.215 1.00 0.35 C ATOM 28 H PHE A 2 -8.333 -0.533 2.265 1.00 0.33 H ATOM 29 HA PHE A 2 -6.834 0.381 4.625 1.00 0.30 H ATOM 30 HB2 PHE A 2 -5.860 -1.343 2.335 1.00 0.39 H ATOM 31 HB3 PHE A 2 -4.991 -0.983 3.823 1.00 0.41 H ATOM 32 HD1 PHE A 2 -7.450 -3.092 2.229 1.00 0.36 H ATOM 33 HD2 PHE A 2 -5.797 -1.924 5.971 1.00 0.46 H ATOM 34 HE1 PHE A 2 -8.420 -5.091 3.275 1.00 0.36 H ATOM 35 HE2 PHE A 2 -6.761 -3.928 7.024 1.00 0.51 H ATOM 36 HZ PHE A 2 -8.076 -5.514 5.675 1.00 0.39 H HETATM 37 N 9KK A 3 -5.513 2.201 3.430 1.00 0.29 N HETATM 38 CE 9KK A 3 -5.171 8.367 2.912 1.00 0.99 C HETATM 39 CD 9KK A 3 -5.720 7.074 3.471 1.00 0.93 C HETATM 40 CG 9KK A 3 -5.058 5.886 2.793 1.00 0.85 C HETATM 41 CB 9KK A 3 -5.512 4.569 3.399 1.00 0.45 C HETATM 42 CA 9KK A 3 -4.925 3.337 2.703 1.00 0.31 C HETATM 43 CM 9KK A 3 -5.335 2.089 4.894 1.00 0.43 C HETATM 44 C 9KK A 3 -3.398 3.356 2.752 1.00 0.39 C HETATM 45 O 9KK A 3 -2.782 2.964 3.744 1.00 0.68 O HETATM 46 HE3 9KK A 3 -4.107 8.416 3.093 1.00 1.42 H HETATM 47 HE2 9KK A 3 -5.356 8.408 1.849 1.00 1.57 H HETATM 48 HE1 9KK A 3 -5.657 9.202 3.394 1.00 1.25 H HETATM 49 HD2 9KK A 3 -5.521 7.040 4.532 1.00 1.00 H HETATM 50 HD3 9KK A 3 -6.784 7.042 3.292 1.00 0.93 H HETATM 51 HG2 9KK A 3 -5.312 5.895 1.743 1.00 1.24 H HETATM 52 HG3 9KK A 3 -3.989 5.972 2.906 1.00 1.05 H HETATM 53 HB2 9KK A 3 -5.217 4.556 4.436 1.00 0.54 H HETATM 54 HB3 9KK A 3 -6.589 4.520 3.339 1.00 0.83 H HETATM 55 HA 9KK A 3 -5.237 3.333 1.668 1.00 0.24 H HETATM 56 HM1 9KK A 3 -6.259 2.338 5.390 1.00 1.10 H HETATM 57 HM3 9KK A 3 -5.053 1.077 5.144 1.00 0.98 H HETATM 58 HM2 9KK A 3 -4.559 2.768 5.214 1.00 1.22 H ATOM 59 N CYS A 4 -2.795 3.812 1.662 1.00 0.22 N ATOM 60 CA CYS A 4 -1.348 3.928 1.575 1.00 0.30 C ATOM 61 C CYS A 4 -0.795 4.885 2.638 1.00 0.67 C ATOM 62 O CYS A 4 0.284 4.662 3.182 1.00 1.71 O ATOM 63 CB CYS A 4 -0.932 4.388 0.176 1.00 0.29 C ATOM 64 SG CYS A 4 0.739 5.055 0.114 1.00 0.40 S ATOM 65 H CYS A 4 -3.342 4.067 0.885 1.00 0.25 H ATOM 66 HA CYS A 4 -0.932 2.947 1.752 1.00 0.57 H ATOM 67 HB2 CYS A 4 -0.980 3.547 -0.503 1.00 0.50 H ATOM 68 HB3 CYS A 4 -1.610 5.158 -0.162 1.00 0.45 H ATOM 69 N THR A 5 -1.559 5.947 2.915 1.00 0.40 N ATOM 70 CA THR A 5 -1.253 6.940 3.960 1.00 0.47 C ATOM 71 C THR A 5 0.097 7.629 3.756 1.00 0.41 C ATOM 72 O THR A 5 0.645 8.222 4.687 1.00 0.54 O ATOM 73 CB THR A 5 -1.325 6.351 5.399 1.00 0.82 C ATOM 74 OG1 THR A 5 -0.420 5.248 5.561 1.00 1.39 O ATOM 75 CG2 THR A 5 -2.738 5.894 5.722 1.00 1.47 C ATOM 76 H THR A 5 -2.372 6.077 2.389 1.00 1.12 H ATOM 77 HA THR A 5 -2.017 7.702 3.889 1.00 0.62 H ATOM 78 HB THR A 5 -1.051 7.128 6.100 1.00 1.13 H ATOM 79 HG1 THR A 5 -0.127 4.947 4.689 1.00 1.89 H ATOM 80 HG21 THR A 5 -3.414 6.733 5.643 1.00 1.77 H ATOM 81 HG22 THR A 5 -2.769 5.500 6.726 1.00 2.12 H ATOM 82 HG23 THR A 5 -3.034 5.126 5.024 1.00 1.94 H ATOM 83 N TRP A 6 0.620 7.572 2.538 1.00 0.37 N ATOM 84 CA TRP A 6 1.874 8.233 2.223 1.00 0.47 C ATOM 85 C TRP A 6 1.598 9.655 1.753 1.00 0.61 C ATOM 86 O TRP A 6 0.774 9.870 0.859 1.00 0.63 O ATOM 87 CB TRP A 6 2.624 7.457 1.142 1.00 0.47 C ATOM 88 CG TRP A 6 4.085 7.771 1.071 1.00 0.60 C ATOM 89 CD1 TRP A 6 4.661 8.893 0.553 1.00 0.73 C ATOM 90 CD2 TRP A 6 5.158 6.938 1.522 1.00 0.67 C ATOM 91 NE1 TRP A 6 6.027 8.818 0.669 1.00 0.85 N ATOM 92 CE2 TRP A 6 6.358 7.623 1.255 1.00 0.82 C ATOM 93 CE3 TRP A 6 5.221 5.681 2.127 1.00 0.68 C ATOM 94 CZ2 TRP A 6 7.604 7.092 1.575 1.00 0.94 C ATOM 95 CZ3 TRP A 6 6.457 5.155 2.443 1.00 0.82 C ATOM 96 CH2 TRP A 6 7.635 5.859 2.166 1.00 0.94 C ATOM 97 H TRP A 6 0.157 7.069 1.838 1.00 0.38 H ATOM 98 HA TRP A 6 2.474 8.266 3.120 1.00 0.51 H ATOM 99 HB2 TRP A 6 2.522 6.403 1.335 1.00 0.43 H ATOM 100 HB3 TRP A 6 2.187 7.685 0.184 1.00 0.47 H ATOM 101 HD1 TRP A 6 4.107 9.718 0.128 1.00 0.78 H ATOM 102 HE1 TRP A 6 6.665 9.508 0.372 1.00 0.97 H ATOM 103 HE3 TRP A 6 4.325 5.123 2.346 1.00 0.61 H ATOM 104 HZ2 TRP A 6 8.523 7.623 1.368 1.00 1.06 H ATOM 105 HZ3 TRP A 6 6.526 4.185 2.910 1.00 0.88 H ATOM 106 HH2 TRP A 6 8.578 5.407 2.431 1.00 1.05 H HETATM 107 N AIB A 7 2.278 10.609 2.375 1.00 0.79 N HETATM 108 CA AIB A 7 2.107 12.035 2.076 1.00 0.99 C HETATM 109 C AIB A 7 2.289 12.289 0.570 1.00 0.94 C HETATM 110 O AIB A 7 3.383 12.119 0.034 1.00 0.94 O HETATM 111 CB1 AIB A 7 3.141 12.832 2.846 1.00 1.21 C HETATM 112 CB2 AIB A 7 0.737 12.502 2.541 1.00 1.13 C HETATM 113 H AIB A 7 2.922 10.348 3.067 1.00 0.83 H HETATM 114 HB11 AIB A 7 3.021 12.649 3.904 1.00 1.51 H HETATM 115 HB12 AIB A 7 3.009 13.883 2.645 1.00 1.83 H HETATM 116 HB13 AIB A 7 4.131 12.527 2.539 1.00 1.48 H HETATM 117 HB21 AIB A 7 0.652 12.365 3.608 1.00 1.35 H HETATM 118 HB22 AIB A 7 -0.027 11.924 2.043 1.00 1.60 H HETATM 119 HB23 AIB A 7 0.611 13.547 2.300 1.00 1.63 H ATOM 120 N GLY A 8 1.210 12.676 -0.104 1.00 0.95 N ATOM 121 CA GLY A 8 1.296 13.028 -1.507 1.00 0.93 C ATOM 122 C GLY A 8 0.838 11.919 -2.429 1.00 0.76 C ATOM 123 O GLY A 8 0.606 12.149 -3.614 1.00 0.83 O ATOM 124 H GLY A 8 0.347 12.721 0.354 1.00 1.01 H ATOM 125 HA2 GLY A 8 0.683 13.900 -1.684 1.00 1.03 H ATOM 126 HA3 GLY A 8 2.325 13.271 -1.739 1.00 0.99 H ATOM 127 N CYS A 9 0.699 10.718 -1.892 1.00 0.61 N ATOM 128 CA CYS A 9 0.319 9.570 -2.699 1.00 0.55 C ATOM 129 C CYS A 9 -1.202 9.480 -2.827 1.00 0.92 C ATOM 130 O CYS A 9 -1.738 9.530 -3.935 1.00 1.94 O ATOM 131 CB CYS A 9 0.886 8.296 -2.080 1.00 0.42 C ATOM 132 SG CYS A 9 0.826 6.855 -3.165 1.00 0.36 S ATOM 133 H CYS A 9 0.860 10.598 -0.930 1.00 0.60 H ATOM 134 HA CYS A 9 0.742 9.703 -3.682 1.00 0.54 H ATOM 135 HB2 CYS A 9 1.920 8.466 -1.816 1.00 0.40 H ATOM 136 HB3 CYS A 9 0.327 8.060 -1.186 1.00 0.62 H ATOM 137 N GLY A 10 -1.888 9.341 -1.696 1.00 0.51 N ATOM 138 CA GLY A 10 -3.343 9.339 -1.696 1.00 0.65 C ATOM 139 C GLY A 10 -3.936 8.207 -2.509 1.00 0.58 C ATOM 140 O GLY A 10 -4.585 8.438 -3.529 1.00 0.90 O ATOM 141 H GLY A 10 -1.402 9.232 -0.853 1.00 1.03 H ATOM 142 HA2 GLY A 10 -3.692 9.256 -0.678 1.00 0.78 H ATOM 143 HA3 GLY A 10 -3.689 10.276 -2.104 1.00 0.82 H ATOM 144 N LYS A 11 -3.707 6.980 -2.066 1.00 0.37 N ATOM 145 CA LYS A 11 -4.221 5.808 -2.760 1.00 0.28 C ATOM 146 C LYS A 11 -4.817 4.814 -1.766 1.00 0.22 C ATOM 147 O LYS A 11 -4.213 4.541 -0.725 1.00 0.28 O ATOM 148 CB LYS A 11 -3.101 5.133 -3.565 1.00 0.36 C ATOM 149 CG LYS A 11 -2.524 6.009 -4.668 1.00 0.42 C ATOM 150 CD LYS A 11 -3.501 6.175 -5.825 1.00 0.67 C ATOM 151 CE LYS A 11 -3.047 7.253 -6.802 1.00 1.05 C ATOM 152 NZ LYS A 11 -3.113 8.613 -6.199 1.00 1.40 N1+ ATOM 153 H LYS A 11 -3.183 6.857 -1.252 1.00 0.51 H ATOM 154 HA LYS A 11 -4.994 6.137 -3.435 1.00 0.30 H ATOM 155 HB2 LYS A 11 -2.300 4.868 -2.889 1.00 0.43 H ATOM 156 HB3 LYS A 11 -3.492 4.231 -4.015 1.00 0.39 H ATOM 157 HG2 LYS A 11 -2.300 6.982 -4.258 1.00 0.81 H ATOM 158 HG3 LYS A 11 -1.617 5.554 -5.037 1.00 0.69 H ATOM 159 HD2 LYS A 11 -3.575 5.236 -6.353 1.00 0.84 H ATOM 160 HD3 LYS A 11 -4.468 6.444 -5.433 1.00 1.18 H ATOM 161 HE2 LYS A 11 -2.028 7.049 -7.098 1.00 1.67 H ATOM 162 HE3 LYS A 11 -3.685 7.223 -7.672 1.00 1.72 H ATOM 163 HZ1 LYS A 11 -2.828 9.329 -6.897 1.00 1.79 H ATOM 164 HZ2 LYS A 11 -2.478 8.678 -5.377 1.00 1.89 H ATOM 165 HZ3 LYS A 11 -4.086 8.820 -5.888 1.00 1.93 H HETATM 166 N MMO A 12 -6.016 4.274 -2.060 1.00 0.18 N HETATM 167 CA MMO A 12 -6.626 3.255 -1.184 1.00 0.17 C HETATM 168 C MMO A 12 -6.862 1.913 -1.881 1.00 0.14 C HETATM 169 O MMO A 12 -6.971 1.824 -3.109 1.00 0.25 O HETATM 170 CB MMO A 12 -7.955 3.864 -0.719 1.00 0.28 C HETATM 171 CG MMO A 12 -7.791 5.075 0.189 1.00 0.38 C HETATM 172 CD MMO A 12 -9.117 5.497 0.802 1.00 0.55 C HETATM 173 NE MMO A 12 -8.979 6.685 1.643 1.00 1.09 N HETATM 174 CZ MMO A 12 -9.681 6.898 2.758 1.00 1.58 C HETATM 175 NH2 MMO A 12 -10.565 6.000 3.179 1.00 1.59 N HETATM 176 NH1 MMO A 12 -9.490 8.008 3.457 1.00 2.55 N HETATM 177 CN MMO A 12 -6.733 4.713 -3.279 1.00 0.27 C HETATM 178 HA MMO A 12 -6.001 3.080 -0.322 1.00 0.21 H HETATM 179 HCB1 MMO A 12 -8.507 3.110 -0.177 1.00 0.32 H HETATM 180 HCB2 MMO A 12 -8.526 4.163 -1.585 1.00 0.31 H HETATM 181 HCG1 MMO A 12 -7.392 5.896 -0.389 1.00 0.37 H HETATM 182 HCG2 MMO A 12 -7.105 4.824 0.983 1.00 0.41 H HETATM 183 HCD1 MMO A 12 -9.494 4.683 1.403 1.00 1.24 H HETATM 184 HCD2 MMO A 12 -9.815 5.708 0.008 1.00 1.20 H HETATM 185 HH21 MMO A 12 -10.713 5.153 2.662 1.00 1.64 H HETATM 186 HH22 MMO A 12 -11.086 6.159 4.023 1.00 2.05 H HETATM 187 HH11 MMO A 12 -10.016 8.173 4.297 1.00 2.91 H HETATM 188 HC1 MMO A 12 -7.040 5.741 -3.170 1.00 1.00 H HETATM 189 HC2 MMO A 12 -7.603 4.090 -3.426 1.00 1.08 H HETATM 190 HC3 MMO A 12 -6.079 4.621 -4.134 1.00 1.02 H HETATM 191 HE MMO A 12 -8.331 7.366 1.357 1.00 1.66 H HETATM 192 HH12 MMO A 12 -8.820 8.689 3.150 1.00 3.06 H ATOM 193 N PHE A 13 -6.929 0.868 -1.075 1.00 0.13 N ATOM 194 CA PHE A 13 -7.047 -0.498 -1.559 1.00 0.12 C ATOM 195 C PHE A 13 -8.039 -1.265 -0.695 1.00 0.16 C ATOM 196 O PHE A 13 -8.268 -0.912 0.460 1.00 0.32 O ATOM 197 CB PHE A 13 -5.676 -1.184 -1.514 1.00 0.18 C ATOM 198 CG PHE A 13 -4.643 -0.508 -2.365 1.00 0.23 C ATOM 199 CD1 PHE A 13 -4.384 -0.959 -3.644 1.00 0.27 C ATOM 200 CD2 PHE A 13 -3.942 0.588 -1.886 1.00 0.28 C ATOM 201 CE1 PHE A 13 -3.445 -0.331 -4.435 1.00 0.33 C ATOM 202 CE2 PHE A 13 -3.002 1.220 -2.669 1.00 0.35 C ATOM 203 CZ PHE A 13 -2.752 0.760 -3.946 1.00 0.36 C ATOM 204 H PHE A 13 -6.902 1.020 -0.106 1.00 0.24 H ATOM 205 HA PHE A 13 -7.403 -0.471 -2.578 1.00 0.13 H ATOM 206 HB2 PHE A 13 -5.314 -1.182 -0.496 1.00 0.22 H ATOM 207 HB3 PHE A 13 -5.775 -2.203 -1.855 1.00 0.19 H ATOM 208 HD1 PHE A 13 -4.926 -1.810 -4.026 1.00 0.28 H ATOM 209 HD2 PHE A 13 -4.141 0.948 -0.889 1.00 0.30 H ATOM 210 HE1 PHE A 13 -3.249 -0.692 -5.432 1.00 0.38 H ATOM 211 HE2 PHE A 13 -2.460 2.073 -2.283 1.00 0.41 H ATOM 212 HZ PHE A 13 -2.017 1.256 -4.564 1.00 0.41 H ATOM 213 N THR A 14 -8.631 -2.306 -1.250 1.00 0.20 N ATOM 214 CA THR A 14 -9.590 -3.108 -0.507 1.00 0.26 C ATOM 215 C THR A 14 -8.928 -4.372 0.030 1.00 0.18 C ATOM 216 O THR A 14 -9.528 -5.122 0.804 1.00 0.32 O ATOM 217 CB THR A 14 -10.819 -3.468 -1.373 1.00 0.46 C ATOM 218 OG1 THR A 14 -11.725 -4.308 -0.643 1.00 1.31 O ATOM 219 CG2 THR A 14 -10.395 -4.163 -2.657 1.00 0.93 C ATOM 220 H THR A 14 -8.418 -2.547 -2.180 1.00 0.30 H ATOM 221 HA THR A 14 -9.931 -2.518 0.333 1.00 0.34 H ATOM 222 HB THR A 14 -11.331 -2.553 -1.635 1.00 1.25 H ATOM 223 HG1 THR A 14 -11.236 -4.785 0.044 1.00 1.99 H ATOM 224 HG21 THR A 14 -9.752 -3.508 -3.224 1.00 1.54 H ATOM 225 HG22 THR A 14 -11.269 -4.404 -3.242 1.00 1.62 H ATOM 226 HG23 THR A 14 -9.862 -5.070 -2.416 1.00 1.52 H ATOM 227 N ARG A 15 -7.684 -4.597 -0.377 1.00 0.16 N ATOM 228 CA ARG A 15 -6.907 -5.731 0.105 1.00 0.16 C ATOM 229 C ARG A 15 -5.608 -5.259 0.739 1.00 0.14 C ATOM 230 O ARG A 15 -4.833 -4.527 0.121 1.00 0.14 O ATOM 231 CB ARG A 15 -6.599 -6.705 -1.031 1.00 0.29 C ATOM 232 CG ARG A 15 -7.795 -7.523 -1.477 1.00 0.31 C ATOM 233 CD ARG A 15 -7.410 -8.538 -2.540 1.00 0.92 C ATOM 234 NE ARG A 15 -8.526 -9.413 -2.893 1.00 1.27 N ATOM 235 CZ ARG A 15 -8.425 -10.441 -3.734 1.00 1.98 C ATOM 236 NH1 ARG A 15 -7.264 -10.710 -4.321 1.00 2.51 N1+ ATOM 237 NH2 ARG A 15 -9.485 -11.199 -3.991 1.00 2.55 N ATOM 238 H ARG A 15 -7.276 -3.981 -1.020 1.00 0.29 H ATOM 239 HA ARG A 15 -7.496 -6.235 0.853 1.00 0.19 H ATOM 240 HB2 ARG A 15 -6.239 -6.144 -1.879 1.00 0.36 H ATOM 241 HB3 ARG A 15 -5.823 -7.385 -0.706 1.00 0.38 H ATOM 242 HG2 ARG A 15 -8.198 -8.046 -0.621 1.00 0.57 H ATOM 243 HG3 ARG A 15 -8.542 -6.857 -1.879 1.00 0.65 H ATOM 244 HD2 ARG A 15 -7.084 -8.011 -3.423 1.00 1.45 H ATOM 245 HD3 ARG A 15 -6.598 -9.142 -2.163 1.00 1.50 H ATOM 246 HE ARG A 15 -9.397 -9.222 -2.474 1.00 1.47 H ATOM 247 HH11 ARG A 15 -6.461 -10.138 -4.131 1.00 2.52 H ATOM 248 HH12 ARG A 15 -7.183 -11.479 -4.960 1.00 3.13 H ATOM 249 HH21 ARG A 15 -10.365 -10.998 -3.554 1.00 2.68 H ATOM 250 HH22 ARG A 15 -9.407 -11.980 -4.617 1.00 3.07 H ATOM 251 N SER A 16 -5.380 -5.694 1.973 1.00 0.15 N ATOM 252 CA SER A 16 -4.195 -5.305 2.722 1.00 0.17 C ATOM 253 C SER A 16 -2.948 -5.905 2.095 1.00 0.15 C ATOM 254 O SER A 16 -1.890 -5.278 2.062 1.00 0.17 O ATOM 255 CB SER A 16 -4.326 -5.757 4.178 1.00 0.24 C ATOM 256 OG SER A 16 -4.565 -7.153 4.258 1.00 1.27 O ATOM 257 H SER A 16 -6.029 -6.303 2.392 1.00 0.17 H ATOM 258 HA SER A 16 -4.118 -4.229 2.688 1.00 0.18 H ATOM 259 HB2 SER A 16 -3.414 -5.529 4.709 1.00 1.04 H ATOM 260 HB3 SER A 16 -5.152 -5.236 4.641 1.00 1.05 H ATOM 261 HG SER A 16 -3.721 -7.628 4.222 1.00 1.61 H HETATM 262 OE1 B3D A 17 -2.258 -8.878 3.938 1.00 2.20 O HETATM 263 CD B3D A 17 -1.373 -9.094 3.077 1.00 1.42 C HETATM 264 OE2 B3D A 17 -0.171 -9.251 3.374 1.00 2.21 O HETATM 265 CG B3D A 17 -1.779 -9.176 1.614 1.00 0.28 C HETATM 266 CB B3D A 17 -1.982 -7.793 0.962 1.00 0.19 C HETATM 267 N B3D A 17 -3.080 -7.123 1.595 1.00 0.15 N HETATM 268 CA B3D A 17 -2.280 -8.041 -0.517 1.00 0.16 C HETATM 269 C B3D A 17 -1.823 -6.929 -1.419 1.00 0.15 C HETATM 270 O B3D A 17 -0.626 -6.713 -1.618 1.00 0.20 O HETATM 271 HG3 B3D A 17 -2.701 -9.731 1.550 1.00 1.07 H HETATM 272 HG2 B3D A 17 -1.010 -9.708 1.076 1.00 0.93 H HETATM 273 HB B3D A 17 -1.106 -7.126 1.073 1.00 0.20 H HETATM 274 H B3D A 17 -3.950 -7.576 1.657 1.00 0.16 H HETATM 275 HA1 B3D A 17 -1.787 -8.949 -0.823 1.00 0.22 H HETATM 276 HA2 B3D A 17 -3.346 -8.158 -0.643 1.00 0.15 H ATOM 277 N GLU A 18 -2.796 -6.192 -1.945 1.00 0.14 N ATOM 278 CA GLU A 18 -2.538 -5.130 -2.903 1.00 0.21 C ATOM 279 C GLU A 18 -1.925 -3.908 -2.235 1.00 0.15 C ATOM 280 O GLU A 18 -1.089 -3.233 -2.825 1.00 0.18 O ATOM 281 CB GLU A 18 -3.833 -4.742 -3.618 1.00 0.39 C ATOM 282 CG GLU A 18 -4.459 -5.887 -4.398 1.00 0.56 C ATOM 283 CD GLU A 18 -3.493 -6.520 -5.377 1.00 1.75 C ATOM 284 OE1 GLU A 18 -2.979 -7.624 -5.088 1.00 2.68 O ATOM 285 OE2 GLU A 18 -3.245 -5.924 -6.444 1.00 2.01 O1- ATOM 286 H GLU A 18 -3.720 -6.370 -1.677 1.00 0.13 H ATOM 287 HA GLU A 18 -1.841 -5.508 -3.633 1.00 0.29 H ATOM 288 HB2 GLU A 18 -4.548 -4.403 -2.881 1.00 0.42 H ATOM 289 HB3 GLU A 18 -3.625 -3.935 -4.304 1.00 0.44 H ATOM 290 HG2 GLU A 18 -4.787 -6.642 -3.701 1.00 0.84 H ATOM 291 HG3 GLU A 18 -5.308 -5.510 -4.945 1.00 0.95 H ATOM 292 N LEU A 19 -2.343 -3.621 -1.010 1.00 0.15 N ATOM 293 CA LEU A 19 -1.797 -2.492 -0.270 1.00 0.17 C ATOM 294 C LEU A 19 -0.311 -2.720 0.000 1.00 0.16 C ATOM 295 O LEU A 19 0.517 -1.850 -0.265 1.00 0.19 O ATOM 296 CB LEU A 19 -2.587 -2.293 1.034 1.00 0.22 C ATOM 297 CG LEU A 19 -2.221 -1.069 1.897 1.00 0.31 C ATOM 298 CD1 LEU A 19 -1.026 -1.358 2.793 1.00 0.69 C ATOM 299 CD2 LEU A 19 -1.945 0.151 1.031 1.00 0.86 C ATOM 300 H LEU A 19 -3.041 -4.175 -0.594 1.00 0.16 H ATOM 301 HA LEU A 19 -1.907 -1.614 -0.887 1.00 0.21 H ATOM 302 HB2 LEU A 19 -3.632 -2.217 0.778 1.00 0.26 H ATOM 303 HB3 LEU A 19 -2.455 -3.178 1.639 1.00 0.20 H ATOM 304 HG LEU A 19 -3.058 -0.836 2.536 1.00 0.82 H ATOM 305 HD11 LEU A 19 -0.181 -1.645 2.184 1.00 1.31 H ATOM 306 HD12 LEU A 19 -1.270 -2.162 3.473 1.00 1.20 H ATOM 307 HD13 LEU A 19 -0.778 -0.472 3.358 1.00 1.31 H ATOM 308 HD21 LEU A 19 -1.083 -0.037 0.408 1.00 1.38 H ATOM 309 HD22 LEU A 19 -1.753 1.004 1.662 1.00 1.53 H ATOM 310 HD23 LEU A 19 -2.801 0.351 0.408 1.00 1.36 H ATOM 311 N GLN A 20 0.018 -3.900 0.510 1.00 0.16 N ATOM 312 CA GLN A 20 1.402 -4.245 0.809 1.00 0.21 C ATOM 313 C GLN A 20 2.227 -4.344 -0.472 1.00 0.16 C ATOM 314 O GLN A 20 3.225 -3.642 -0.634 1.00 0.16 O ATOM 315 CB GLN A 20 1.473 -5.558 1.587 1.00 0.30 C ATOM 316 CG GLN A 20 2.880 -5.926 2.026 1.00 0.37 C ATOM 317 CD GLN A 20 2.920 -7.210 2.828 1.00 1.09 C ATOM 318 OE1 GLN A 20 3.060 -8.300 2.269 1.00 1.82 O ATOM 319 NE2 GLN A 20 2.807 -7.093 4.142 1.00 1.83 N ATOM 320 H GLN A 20 -0.692 -4.551 0.703 1.00 0.16 H ATOM 321 HA GLN A 20 1.810 -3.455 1.418 1.00 0.27 H ATOM 322 HB2 GLN A 20 0.854 -5.476 2.467 1.00 0.35 H ATOM 323 HB3 GLN A 20 1.094 -6.354 0.965 1.00 0.30 H ATOM 324 HG2 GLN A 20 3.497 -6.047 1.148 1.00 0.90 H ATOM 325 HG3 GLN A 20 3.273 -5.125 2.633 1.00 1.00 H ATOM 326 HE21 GLN A 20 2.708 -6.192 4.522 1.00 2.08 H ATOM 327 HE22 GLN A 20 2.826 -7.910 4.683 1.00 2.45 H HETATM 328 N HMR A 21 1.810 -5.212 -1.387 1.00 0.18 N HETATM 329 CA HMR A 21 2.517 -5.370 -2.631 1.00 0.19 C HETATM 330 CB HMR A 21 2.691 -6.863 -2.938 1.00 0.29 C HETATM 331 CG HMR A 21 3.481 -7.623 -1.886 1.00 0.51 C HETATM 332 CD HMR A 21 3.620 -9.093 -2.250 1.00 0.94 C HETATM 333 NE HMR A 21 4.419 -9.827 -1.268 1.00 1.75 N HETATM 334 CZ HMR A 21 4.573 -11.152 -1.272 1.00 2.14 C HETATM 335 NH1 HMR A 21 3.980 -11.894 -2.201 1.00 1.94 N HETATM 336 NH2 HMR A 21 5.328 -11.731 -0.349 1.00 3.01 N HETATM 337 C HMR A 21 2.100 -3.357 -4.111 1.00 0.17 C HETATM 338 O HMR A 21 2.953 -3.082 -4.959 1.00 0.27 O HETATM 339 CH2 HMR A 21 1.726 -4.780 -3.796 1.00 0.16 C HETATM 340 H HMR A 21 0.999 -5.746 -1.218 1.00 0.22 H HETATM 341 HA HMR A 21 3.481 -4.838 -2.513 1.00 0.23 H HETATM 342 HB2 HMR A 21 3.202 -6.966 -3.884 1.00 0.35 H HETATM 343 HB3 HMR A 21 1.716 -7.315 -3.015 1.00 0.29 H HETATM 344 HG2 HMR A 21 2.967 -7.543 -0.939 1.00 0.69 H HETATM 345 HG3 HMR A 21 4.465 -7.186 -1.802 1.00 0.87 H HETATM 346 HD2 HMR A 21 4.097 -9.170 -3.216 1.00 1.35 H HETATM 347 HD3 HMR A 21 2.636 -9.535 -2.299 1.00 1.23 H HETATM 348 HE HMR A 21 4.865 -9.299 -0.567 1.00 2.22 H HETATM 349 HH1 HMR A 21 3.414 -11.462 -2.910 1.00 1.68 H HETATM 350 HH21 HMR A 21 5.447 -12.726 -0.346 1.00 3.31 H HETATM 351 HH22 HMR A 21 5.786 -11.177 0.351 1.00 3.45 H HETATM 352 HC1 HMR A 21 1.901 -5.380 -4.675 1.00 0.19 H HETATM 353 HC2 HMR A 21 0.672 -4.806 -3.553 1.00 0.14 H HETATM 354 HH2 HMR A 21 4.097 -12.890 -2.202 1.00 2.33 H ATOM 355 N HIS A 22 1.445 -2.444 -3.418 1.00 0.15 N ATOM 356 CA HIS A 22 1.655 -1.026 -3.613 1.00 0.15 C ATOM 357 C HIS A 22 2.856 -0.525 -2.816 1.00 0.13 C ATOM 358 O HIS A 22 3.771 0.061 -3.392 1.00 0.12 O ATOM 359 CB HIS A 22 0.392 -0.258 -3.224 1.00 0.20 C ATOM 360 CG HIS A 22 0.545 1.224 -3.313 1.00 0.16 C ATOM 361 ND1 HIS A 22 0.288 1.971 -4.457 1.00 0.20 N ATOM 362 CD2 HIS A 22 0.974 2.102 -2.376 1.00 0.17 C ATOM 363 CE1 HIS A 22 0.578 3.254 -4.180 1.00 0.21 C ATOM 364 NE2 HIS A 22 0.991 3.352 -2.942 1.00 0.18 N ATOM 365 H HIS A 22 0.776 -2.738 -2.758 1.00 0.18 H ATOM 366 HA HIS A 22 1.847 -0.866 -4.661 1.00 0.16 H ATOM 367 HB2 HIS A 22 -0.413 -0.549 -3.879 1.00 0.25 H ATOM 368 HB3 HIS A 22 0.128 -0.505 -2.207 1.00 0.25 H ATOM 369 HD1 HIS A 22 -0.035 1.621 -5.317 1.00 0.24 H ATOM 370 HD2 HIS A 22 1.240 1.871 -1.357 1.00 0.21 H ATOM 371 HE1 HIS A 22 0.475 4.078 -4.868 1.00 0.27 H ATOM 372 N LYS A 23 2.849 -0.752 -1.500 1.00 0.18 N ATOM 373 CA LYS A 23 3.921 -0.265 -0.629 1.00 0.19 C ATOM 374 C LYS A 23 5.282 -0.667 -1.171 1.00 0.17 C ATOM 375 O LYS A 23 6.186 0.165 -1.298 1.00 0.18 O ATOM 376 CB LYS A 23 3.762 -0.790 0.799 1.00 0.27 C ATOM 377 CG LYS A 23 2.577 -0.205 1.550 1.00 0.73 C ATOM 378 CD LYS A 23 2.689 1.306 1.682 1.00 0.61 C ATOM 379 CE LYS A 23 1.677 1.857 2.676 1.00 0.85 C ATOM 380 NZ LYS A 23 1.935 1.376 4.059 1.00 1.01 N1+ ATOM 381 H LYS A 23 2.105 -1.264 -1.107 1.00 0.22 H ATOM 382 HA LYS A 23 3.864 0.813 -0.613 1.00 0.20 H ATOM 383 HB2 LYS A 23 3.641 -1.863 0.764 1.00 0.78 H ATOM 384 HB3 LYS A 23 4.658 -0.558 1.353 1.00 0.73 H ATOM 385 HG2 LYS A 23 1.670 -0.443 1.014 1.00 1.26 H ATOM 386 HG3 LYS A 23 2.537 -0.643 2.537 1.00 1.25 H ATOM 387 HD2 LYS A 23 3.685 1.557 2.019 1.00 0.85 H ATOM 388 HD3 LYS A 23 2.510 1.754 0.714 1.00 0.88 H ATOM 389 HE2 LYS A 23 1.729 2.937 2.665 1.00 1.56 H ATOM 390 HE3 LYS A 23 0.687 1.544 2.375 1.00 1.39 H ATOM 391 HZ1 LYS A 23 1.284 1.839 4.725 1.00 1.57 H ATOM 392 HZ2 LYS A 23 2.910 1.596 4.339 1.00 1.30 H ATOM 393 HZ3 LYS A 23 1.793 0.348 4.115 1.00 1.62 H HETATM 394 N HMR A 24 5.425 -1.940 -1.500 1.00 0.18 N HETATM 395 CA HMR A 24 6.657 -2.427 -2.049 1.00 0.20 C HETATM 396 CB HMR A 24 6.933 -3.826 -1.476 1.00 0.30 C HETATM 397 CG HMR A 24 8.241 -4.453 -1.936 1.00 0.34 C HETATM 398 CD HMR A 24 8.502 -5.763 -1.213 1.00 0.50 C HETATM 399 NE HMR A 24 9.708 -6.431 -1.697 1.00 0.95 N HETATM 400 CZ HMR A 24 10.361 -7.374 -1.015 1.00 1.35 C HETATM 401 NH1 HMR A 24 11.439 -7.944 -1.537 1.00 1.85 N HETATM 402 NH2 HMR A 24 9.927 -7.754 0.182 1.00 1.46 N HETATM 403 C HMR A 24 7.178 -1.391 -4.309 1.00 0.18 C HETATM 404 O HMR A 24 8.313 -1.470 -4.781 1.00 0.27 O HETATM 405 CH2 HMR A 24 6.550 -2.547 -3.570 1.00 0.21 C HETATM 406 H HMR A 24 4.671 -2.561 -1.366 1.00 0.21 H HETATM 407 HA HMR A 24 7.434 -1.691 -1.777 1.00 0.21 H HETATM 408 HB2 HMR A 24 6.126 -4.484 -1.765 1.00 0.35 H HETATM 409 HB3 HMR A 24 6.958 -3.757 -0.400 1.00 0.37 H HETATM 410 HG2 HMR A 24 9.050 -3.769 -1.729 1.00 0.40 H HETATM 411 HG3 HMR A 24 8.188 -4.644 -2.995 1.00 0.38 H HETATM 412 HD2 HMR A 24 7.654 -6.416 -1.363 1.00 0.63 H HETATM 413 HD3 HMR A 24 8.615 -5.559 -0.159 1.00 0.77 H HETATM 414 HE HMR A 24 10.055 -6.153 -2.578 1.00 1.18 H HETATM 415 HH1 HMR A 24 11.765 -7.667 -2.445 1.00 2.03 H HETATM 416 HH21 HMR A 24 9.107 -7.336 0.578 1.00 1.35 H HETATM 417 HH22 HMR A 24 10.417 -8.464 0.697 1.00 1.83 H HETATM 418 HC1 HMR A 24 7.038 -3.452 -3.883 1.00 0.28 H HETATM 419 HC2 HMR A 24 5.507 -2.596 -3.845 1.00 0.23 H HETATM 420 HH2 HMR A 24 11.934 -8.654 -1.026 1.00 2.15 H ATOM 421 N THR A 25 6.430 -0.297 -4.401 1.00 0.16 N ATOM 422 CA THR A 25 6.862 0.869 -5.155 1.00 0.23 C ATOM 423 C THR A 25 7.647 1.850 -4.282 1.00 0.22 C ATOM 424 O THR A 25 8.706 2.335 -4.685 1.00 0.34 O ATOM 425 CB THR A 25 5.660 1.599 -5.792 1.00 0.34 C ATOM 426 OG1 THR A 25 4.761 2.059 -4.775 1.00 1.33 O ATOM 427 CG2 THR A 25 4.912 0.679 -6.745 1.00 1.09 C ATOM 428 H THR A 25 5.560 -0.276 -3.945 1.00 0.17 H ATOM 429 HA THR A 25 7.503 0.525 -5.950 1.00 0.30 H ATOM 430 HB THR A 25 6.028 2.447 -6.347 1.00 0.94 H ATOM 431 HG1 THR A 25 4.205 1.325 -4.477 1.00 1.98 H ATOM 432 HG21 THR A 25 5.584 0.338 -7.517 1.00 1.66 H ATOM 433 HG22 THR A 25 4.090 1.218 -7.193 1.00 1.47 H ATOM 434 HG23 THR A 25 4.530 -0.171 -6.198 1.00 1.67 H ATOM 435 N HIS A 26 7.134 2.134 -3.084 1.00 0.20 N ATOM 436 CA HIS A 26 7.785 3.085 -2.185 1.00 0.25 C ATOM 437 C HIS A 26 9.011 2.447 -1.558 1.00 0.30 C ATOM 438 O HIS A 26 10.031 3.100 -1.338 1.00 0.38 O ATOM 439 CB HIS A 26 6.847 3.545 -1.063 1.00 0.25 C ATOM 440 CG HIS A 26 5.633 4.309 -1.502 1.00 0.24 C ATOM 441 ND1 HIS A 26 5.647 5.634 -1.937 1.00 0.29 N ATOM 442 CD2 HIS A 26 4.331 3.933 -1.489 1.00 0.25 C ATOM 443 CE1 HIS A 26 4.369 6.009 -2.154 1.00 0.30 C ATOM 444 NE2 HIS A 26 3.570 5.008 -1.893 1.00 0.25 N ATOM 445 H HIS A 26 6.312 1.679 -2.791 1.00 0.24 H ATOM 446 HA HIS A 26 8.090 3.939 -2.769 1.00 0.31 H ATOM 447 HB2 HIS A 26 6.502 2.677 -0.523 1.00 0.27 H ATOM 448 HB3 HIS A 26 7.404 4.177 -0.385 1.00 0.28 H ATOM 449 HD1 HIS A 26 6.446 6.198 -2.058 1.00 0.33 H ATOM 450 HD2 HIS A 26 3.947 2.962 -1.217 1.00 0.28 H ATOM 451 HE1 HIS A 26 4.053 6.988 -2.483 1.00 0.37 H HETATM 452 CG B3T A 27 9.528 -0.264 0.643 1.00 0.60 C HETATM 453 OD1 B3T A 27 8.363 -1.063 0.403 1.00 0.76 O HETATM 454 CD2 B3T A 27 9.220 0.772 1.711 1.00 0.76 C HETATM 455 CB B3T A 27 9.982 0.411 -0.662 1.00 0.46 C HETATM 456 N B3T A 27 8.894 1.162 -1.269 1.00 0.36 N HETATM 457 CA B3T A 27 10.529 -0.622 -1.648 1.00 0.62 C HETATM 458 C B3T A 27 12.037 -0.753 -1.571 1.00 0.82 C HETATM 459 O B3T A 27 12.674 -0.171 -0.693 1.00 1.03 O HETATM 460 HG B3T A 27 10.325 -0.901 0.999 1.00 0.67 H HETATM 461 HOD1 B3T A 27 7.711 -0.544 -0.084 1.00 1.25 H HETATM 462 H1D2 B3T A 27 8.447 1.438 1.354 1.00 1.25 H HETATM 463 H2D2 B3T A 27 10.112 1.340 1.929 1.00 1.43 H HETATM 464 H3D2 B3T A 27 8.881 0.276 2.608 1.00 1.15 H HETATM 465 HB B3T A 27 10.766 1.106 -0.415 1.00 0.52 H HETATM 466 HN B3T A 27 8.048 0.705 -1.471 1.00 0.39 H HETATM 467 HA B3T A 27 10.263 -0.326 -2.652 1.00 0.63 H HETATM 468 HAA B3T A 27 10.090 -1.582 -1.430 1.00 0.70 H ATOM 469 N GLY A 28 12.612 -1.517 -2.493 1.00 1.30 N ATOM 470 CA GLY A 28 14.046 -1.735 -2.488 1.00 1.53 C ATOM 471 C GLY A 28 14.457 -2.730 -1.427 1.00 1.68 C ATOM 472 O GLY A 28 15.576 -2.677 -0.913 1.00 2.18 O ATOM 473 H GLY A 28 12.058 -1.939 -3.184 1.00 1.67 H ATOM 474 HA2 GLY A 28 14.349 -2.106 -3.454 1.00 1.86 H ATOM 475 HA3 GLY A 28 14.543 -0.796 -2.300 1.00 1.58 H ATOM 476 N GLU A 29 13.536 -3.639 -1.106 1.00 1.96 N ATOM 477 CA GLU A 29 13.751 -4.654 -0.078 1.00 2.41 C ATOM 478 C GLU A 29 14.148 -4.012 1.248 1.00 2.39 C ATOM 479 O GLU A 29 15.214 -4.297 1.799 1.00 3.19 O ATOM 480 CB GLU A 29 14.822 -5.650 -0.515 1.00 3.15 C ATOM 481 CG GLU A 29 14.492 -6.392 -1.795 1.00 3.91 C ATOM 482 CD GLU A 29 15.582 -7.364 -2.180 1.00 4.36 C ATOM 483 OE1 GLU A 29 15.398 -8.582 -1.977 1.00 4.89 O ATOM 484 OE2 GLU A 29 16.638 -6.914 -2.669 1.00 4.51 O1- ATOM 485 H GLU A 29 12.682 -3.628 -1.586 1.00 2.25 H ATOM 486 HA GLU A 29 12.818 -5.181 0.061 1.00 2.64 H ATOM 487 HB2 GLU A 29 15.747 -5.118 -0.666 1.00 3.38 H ATOM 488 HB3 GLU A 29 14.962 -6.378 0.270 1.00 3.49 H ATOM 489 HG2 GLU A 29 13.573 -6.938 -1.655 1.00 4.30 H ATOM 490 HG3 GLU A 29 14.368 -5.674 -2.594 1.00 4.26 H ATOM 491 N LYS A 30 13.296 -3.135 1.751 1.00 1.95 N ATOM 492 CA LYS A 30 13.551 -2.484 3.024 1.00 2.32 C ATOM 493 C LYS A 30 12.490 -2.890 4.036 1.00 2.89 C ATOM 494 O LYS A 30 11.692 -2.072 4.494 1.00 3.15 O ATOM 495 CB LYS A 30 13.578 -0.959 2.865 1.00 2.23 C ATOM 496 CG LYS A 30 14.633 -0.465 1.886 1.00 2.98 C ATOM 497 CD LYS A 30 14.817 1.043 1.971 1.00 3.35 C ATOM 498 CE LYS A 30 13.523 1.791 1.687 1.00 3.96 C ATOM 499 NZ LYS A 30 13.682 3.256 1.871 1.00 4.54 N1+ ATOM 500 H LYS A 30 12.471 -2.930 1.261 1.00 1.83 H ATOM 501 HA LYS A 30 14.515 -2.818 3.380 1.00 2.86 H ATOM 502 HB2 LYS A 30 12.611 -0.629 2.517 1.00 2.41 H ATOM 503 HB3 LYS A 30 13.775 -0.512 3.827 1.00 2.30 H ATOM 504 HG2 LYS A 30 15.573 -0.944 2.112 1.00 3.30 H ATOM 505 HG3 LYS A 30 14.328 -0.725 0.883 1.00 3.48 H ATOM 506 HD2 LYS A 30 15.155 1.298 2.965 1.00 3.50 H ATOM 507 HD3 LYS A 30 15.562 1.345 1.247 1.00 3.54 H ATOM 508 HE2 LYS A 30 13.223 1.593 0.669 1.00 4.07 H ATOM 509 HE3 LYS A 30 12.760 1.433 2.363 1.00 4.35 H ATOM 510 HZ1 LYS A 30 13.986 3.462 2.844 1.00 4.69 H ATOM 511 HZ2 LYS A 30 12.779 3.739 1.696 1.00 4.86 H ATOM 512 HZ3 LYS A 30 14.394 3.624 1.211 1.00 4.84 H HETATM 513 N NH2 A 31 12.494 -4.161 4.390 1.00 3.54 N HETATM 514 HN1 NH2 A 31 13.162 -4.753 3.981 1.00 3.61 H HETATM 515 HN2 NH2 A 31 11.829 -4.465 5.045 1.00 4.13 H TER 516 NH2 A 31 HETATM 517 ZN ZN A 101 1.576 5.015 -2.020 1.00 0.26 ZN