Browse entries in the PDBbind-CN Database
HEADER 5CZM_COMPLEX COMPND 5CZM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 159 MET GLY PRO VAL TRP ARG LYS HIS TYR ILE THR TYR ARG SEQRES 2 A 159 ILE ASN ASN TYR THR PRO ASP MET ASN ARG GLU ASP VAL SEQRES 3 A 159 ASP TYR ALA ILE ARG LYS ALA PHE GLN VAL TRP SER ASN SEQRES 4 A 159 VAL THR PRO LEU LYS PHE SER LYS ILE ASN THR GLY MET SEQRES 5 A 159 ALA ASP ILE LEU VAL VAL PHE ALA ARG GLY ALA HIS GLY SEQRES 6 A 159 ASP ASP HIS ALA PHE ASP GLY LYS GLY GLY ILE LEU ALA SEQRES 7 A 159 HIS ALA PHE GLY PRO GLY SER GLY ILE GLY GLY ASP ALA SEQRES 8 A 159 HIS PHE ASP GLU ASP GLU PHE TRP THR THR HIS SER GLY SEQRES 9 A 159 GLY THR ASN LEU PHE LEU THR ALA VAL HIS GLU ILE GLY SEQRES 10 A 159 HIS SER LEU GLY LEU GLY HIS SER SER ASP PRO LYS ALA SEQRES 11 A 159 VAL MET PHE PRO THR TYR ALA TYR VAL ASP ILE ASN THR SEQRES 12 A 159 PHE ARG LEU SER ALA ASP ASP ILE ARG GLY ILE GLN SER SEQRES 13 A 159 LEU TYR GLY HET ZN A 1 1 HET ZN A 2 1 HET CA A 3 1 HET CA A 4 1 HET CA A 5 1 HET R A 47 84 ATOM 1 N MET A 105 0.130 18.923 -13.213 1.00 38.75 N ATOM 2 CA MET A 105 0.986 19.129 -14.375 1.00 38.19 C ATOM 3 C MET A 105 2.461 19.048 -13.995 1.00 34.35 C ATOM 4 O MET A 105 3.339 19.302 -14.819 1.00 33.92 O ATOM 5 CB MET A 105 0.685 20.478 -15.031 1.00 41.85 C ATOM 6 CG MET A 105 0.871 21.672 -14.108 1.00 46.91 C ATOM 7 SD MET A 105 0.192 23.194 -14.795 1.00 52.57 S ATOM 8 CE MET A 105 0.682 24.378 -13.543 1.00 54.11 C ATOM 9 HN3 MET A 105 0.331 19.655 -12.502 1.00 0.00 H ATOM 10 HN2 MET A 105 0.318 17.984 -12.808 1.00 0.00 H ATOM 11 HN1 MET A 105 -0.867 18.984 -13.503 1.00 0.00 H ATOM 12 N GLY A 106 2.725 18.693 -12.742 1.00 31.14 N ATOM 13 CA GLY A 106 4.091 18.578 -12.251 1.00 28.03 C ATOM 14 C GLY A 106 4.708 17.266 -12.716 1.00 25.16 C ATOM 15 O GLY A 106 4.012 16.434 -13.300 1.00 25.41 O ATOM 16 H GLY A 106 1.936 18.492 -12.095 1.00 0.00 H ATOM 17 N PRO A 107 6.016 17.068 -12.481 1.00 23.10 N ATOM 18 CA PRO A 107 6.603 15.798 -12.930 1.00 20.94 C ATOM 19 C PRO A 107 6.155 14.654 -12.030 1.00 17.56 C ATOM 20 O PRO A 107 5.979 14.864 -10.838 1.00 17.94 O ATOM 21 CB PRO A 107 8.108 16.032 -12.778 1.00 23.26 C ATOM 22 CG PRO A 107 8.220 17.046 -11.701 1.00 24.64 C ATOM 23 CD PRO A 107 6.997 17.926 -11.797 1.00 24.19 C ATOM 24 N VAL A 108 5.957 13.467 -12.590 1.00 15.03 N ATOM 25 CA VAL A 108 5.538 12.334 -11.776 1.00 14.80 C ATOM 26 C VAL A 108 6.496 11.165 -11.887 1.00 13.73 C ATOM 27 O VAL A 108 7.170 10.994 -12.903 1.00 14.75 O ATOM 28 CB VAL A 108 4.126 11.827 -12.160 1.00 17.14 C ATOM 29 CG1 VAL A 108 3.092 12.939 -11.997 1.00 18.18 C ATOM 30 CG2 VAL A 108 4.116 11.260 -13.578 1.00 17.44 C ATOM 31 H VAL A 108 6.101 13.346 -13.613 1.00 0.00 H ATOM 32 N TRP A 109 6.550 10.358 -10.835 1.00 12.71 N ATOM 33 CA TRP A 109 7.212 9.067 -10.931 1.00 12.20 C ATOM 34 C TRP A 109 6.388 8.167 -11.843 1.00 13.31 C ATOM 35 O TRP A 109 5.177 8.095 -11.706 1.00 15.10 O ATOM 36 CB TRP A 109 7.333 8.423 -9.552 1.00 11.28 C ATOM 37 CG TRP A 109 8.105 9.239 -8.581 1.00 10.99 C ATOM 38 CD1 TRP A 109 7.595 10.062 -7.630 1.00 11.06 C ATOM 39 CD2 TRP A 109 9.529 9.317 -8.463 1.00 10.76 C ATOM 40 NE1 TRP A 109 8.610 10.649 -6.917 1.00 12.14 N ATOM 41 CE2 TRP A 109 9.809 10.205 -7.409 1.00 11.63 C ATOM 42 CE3 TRP A 109 10.594 8.715 -9.140 1.00 12.26 C ATOM 43 CZ2 TRP A 109 11.106 10.530 -7.032 1.00 11.72 C ATOM 44 CZ3 TRP A 109 11.881 9.029 -8.756 1.00 12.66 C ATOM 45 CH2 TRP A 109 12.128 9.926 -7.712 1.00 13.09 C ATOM 46 HE1 TRP A 109 8.489 11.321 -6.132 1.00 0.00 H ATOM 47 H TRP A 109 6.116 10.651 -9.936 1.00 0.00 H ATOM 48 N ARG A 110 7.038 7.489 -12.779 1.00 14.60 N ATOM 49 CA ARG A 110 6.325 6.538 -13.635 1.00 15.45 C ATOM 50 C ARG A 110 6.439 5.109 -13.115 1.00 14.68 C ATOM 51 O ARG A 110 6.666 4.159 -13.869 1.00 17.08 O ATOM 52 CB ARG A 110 6.779 6.628 -15.090 1.00 17.99 C ATOM 53 CG ARG A 110 6.242 7.855 -15.810 1.00 19.65 C ATOM 54 CD ARG A 110 6.514 7.803 -17.308 1.00 20.67 C ATOM 55 NE ARG A 110 7.938 7.698 -17.608 1.00 21.75 N ATOM 56 CZ ARG A 110 8.529 6.614 -18.101 1.00 24.26 C ATOM 57 NH1 ARG A 110 7.819 5.521 -18.360 1.00 24.92 N ATOM 58 NH2 ARG A 110 9.835 6.625 -18.340 1.00 25.25 N ATOM 59 HE ARG A 110 8.533 8.531 -17.423 1.00 0.00 H ATOM 60 HH12 ARG A 110 8.287 4.676 -18.746 1.00 0.00 H ATOM 61 HH11 ARG A 110 6.795 5.510 -18.177 1.00 0.00 H ATOM 62 HH22 ARG A 110 10.300 5.779 -18.726 1.00 0.00 H ATOM 63 HH21 ARG A 110 10.393 7.480 -18.142 1.00 0.00 H ATOM 64 H ARG A 110 8.060 7.633 -12.906 1.00 0.00 H ATOM 65 N LYS A 111 6.287 4.978 -11.808 1.00 12.32 N ATOM 66 CA LYS A 111 6.222 3.688 -11.149 1.00 11.31 C ATOM 67 C LYS A 111 5.504 3.924 -9.834 1.00 11.00 C ATOM 68 O LYS A 111 5.402 5.066 -9.379 1.00 12.47 O ATOM 69 CB LYS A 111 7.618 3.136 -10.894 1.00 11.54 C ATOM 70 CG LYS A 111 8.476 4.021 -9.993 1.00 11.37 C ATOM 71 CD LYS A 111 9.890 3.470 -9.897 1.00 11.65 C ATOM 72 CE LYS A 111 10.789 4.353 -9.042 1.00 12.68 C ATOM 73 NZ LYS A 111 12.174 3.805 -9.009 1.00 13.39 N ATOM 74 HZ1 LYS A 111 12.157 2.846 -8.606 1.00 0.00 H ATOM 75 HZ2 LYS A 111 12.554 3.769 -9.976 1.00 0.00 H ATOM 76 HZ3 LYS A 111 12.774 4.419 -8.422 1.00 0.00 H ATOM 77 H LYS A 111 6.211 5.838 -11.227 1.00 0.00 H ATOM 78 N HIS A 112 4.993 2.858 -9.230 1.00 10.22 N ATOM 79 CA HIS A 112 4.224 3.000 -8.001 1.00 10.14 C ATOM 80 C HIS A 112 4.938 2.431 -6.786 1.00 9.94 C ATOM 81 O HIS A 112 4.388 2.449 -5.685 1.00 12.28 O ATOM 82 CB HIS A 112 2.860 2.339 -8.147 1.00 10.14 C ATOM 83 CG HIS A 112 1.944 3.064 -9.077 1.00 10.26 C ATOM 84 ND1 HIS A 112 0.803 2.487 -9.592 1.00 11.01 N ATOM 85 CD2 HIS A 112 1.995 4.320 -9.584 1.00 11.38 C ATOM 86 CE1 HIS A 112 0.190 3.357 -10.376 1.00 11.89 C ATOM 87 NE2 HIS A 112 0.886 4.480 -10.379 1.00 11.71 N ATOM 88 H HIS A 112 5.143 1.913 -9.638 1.00 0.00 H ATOM 89 N TYR A 113 6.144 1.908 -6.987 1.00 9.08 N ATOM 90 CA TYR A 113 6.979 1.477 -5.877 1.00 9.22 C ATOM 91 C TYR A 113 8.161 2.415 -5.794 1.00 8.68 C ATOM 92 O TYR A 113 8.963 2.496 -6.721 1.00 10.21 O ATOM 93 CB TYR A 113 7.464 0.046 -6.075 1.00 9.64 C ATOM 94 CG TYR A 113 8.477 -0.393 -5.043 1.00 9.52 C ATOM 95 CD1 TYR A 113 9.759 -0.763 -5.419 1.00 9.27 C ATOM 96 CD2 TYR A 113 8.152 -0.418 -3.691 1.00 10.27 C ATOM 97 CE1 TYR A 113 10.693 -1.163 -4.476 1.00 9.33 C ATOM 98 CE2 TYR A 113 9.069 -0.830 -2.737 1.00 10.29 C ATOM 99 CZ TYR A 113 10.348 -1.195 -3.140 1.00 9.95 C ATOM 100 OH TYR A 113 11.274 -1.600 -2.196 1.00 11.22 O ATOM 101 HH TYR A 113 12.127 -1.823 -2.646 1.00 0.00 H ATOM 102 H TYR A 113 6.498 1.805 -7.959 1.00 0.00 H ATOM 103 N ILE A 114 8.253 3.133 -4.685 1.00 8.26 N ATOM 104 CA ILE A 114 9.230 4.200 -4.538 1.00 8.35 C ATOM 105 C ILE A 114 9.996 3.960 -3.251 1.00 9.18 C ATOM 106 O ILE A 114 9.403 3.721 -2.203 1.00 11.41 O ATOM 107 CB ILE A 114 8.529 5.576 -4.483 1.00 9.40 C ATOM 108 CG1 ILE A 114 7.821 5.853 -5.806 1.00 11.29 C ATOM 109 CG2 ILE A 114 9.540 6.684 -4.133 1.00 9.69 C ATOM 110 CD1 ILE A 114 6.875 7.020 -5.737 1.00 12.72 C ATOM 111 H ILE A 114 7.607 2.928 -3.896 1.00 0.00 H ATOM 112 N THR A 115 11.315 4.000 -3.326 1.00 8.14 N ATOM 113 CA THR A 115 12.114 3.802 -2.128 1.00 8.91 C ATOM 114 C THR A 115 12.639 5.116 -1.604 1.00 8.54 C ATOM 115 O THR A 115 12.813 6.077 -2.359 1.00 9.17 O ATOM 116 CB THR A 115 13.298 2.859 -2.375 1.00 9.06 C ATOM 117 OG1 THR A 115 14.079 3.341 -3.480 1.00 9.94 O ATOM 118 CG2 THR A 115 12.797 1.442 -2.657 1.00 9.32 C ATOM 119 HG1 THR A 115 13.513 3.377 -4.292 1.00 0.00 H ATOM 120 H THR A 115 11.780 4.173 -4.240 1.00 0.00 H ATOM 121 N TYR A 116 12.876 5.156 -0.302 1.00 7.66 N ATOM 122 CA TYR A 116 13.521 6.307 0.293 1.00 7.81 C ATOM 123 C TYR A 116 14.629 5.868 1.219 1.00 8.06 C ATOM 124 O TYR A 116 14.631 4.737 1.709 1.00 8.47 O ATOM 125 CB TYR A 116 12.519 7.199 1.021 1.00 8.23 C ATOM 126 CG TYR A 116 11.928 6.662 2.296 1.00 7.94 C ATOM 127 CD1 TYR A 116 12.481 6.978 3.532 1.00 8.52 C ATOM 128 CD2 TYR A 116 10.767 5.901 2.276 1.00 9.74 C ATOM 129 CE1 TYR A 116 11.916 6.535 4.707 1.00 9.41 C ATOM 130 CE2 TYR A 116 10.193 5.449 3.453 1.00 10.55 C ATOM 131 CZ TYR A 116 10.766 5.777 4.666 1.00 10.07 C ATOM 132 OH TYR A 116 10.185 5.341 5.840 1.00 12.28 O ATOM 133 HH TYR A 116 10.718 5.662 6.610 1.00 0.00 H ATOM 134 H TYR A 116 12.596 4.354 0.298 1.00 0.00 H ATOM 135 N ARG A 117 15.578 6.767 1.448 1.00 8.32 N ATOM 136 CA ARG A 117 16.681 6.486 2.357 1.00 8.14 C ATOM 137 C ARG A 117 16.958 7.746 3.143 1.00 7.67 C ATOM 138 O ARG A 117 16.983 8.843 2.576 1.00 9.20 O ATOM 139 CB ARG A 117 17.930 6.035 1.585 1.00 10.42 C ATOM 140 CG ARG A 117 19.140 5.746 2.481 1.00 12.06 C ATOM 141 CD ARG A 117 20.307 5.104 1.717 1.00 14.62 C ATOM 142 NE ARG A 117 20.954 6.029 0.789 1.00 18.23 N ATOM 143 CZ ARG A 117 21.901 6.899 1.131 1.00 21.93 C ATOM 144 NH1 ARG A 117 22.307 6.982 2.393 1.00 22.96 N ATOM 145 NH2 ARG A 117 22.433 7.700 0.212 1.00 23.85 N ATOM 146 HE ARG A 117 20.654 6.006 -0.206 1.00 0.00 H ATOM 147 HH12 ARG A 117 23.047 7.663 2.657 1.00 0.00 H ATOM 148 HH11 ARG A 117 21.885 6.366 3.117 1.00 0.00 H ATOM 149 HH22 ARG A 117 23.173 8.380 0.480 1.00 0.00 H ATOM 150 HH21 ARG A 117 22.109 7.647 -0.775 1.00 0.00 H ATOM 151 H ARG A 117 15.533 7.689 0.970 1.00 0.00 H ATOM 152 N ILE A 118 17.146 7.602 4.448 1.00 8.03 N ATOM 153 CA ILE A 118 17.510 8.745 5.271 1.00 9.50 C ATOM 154 C ILE A 118 19.030 8.852 5.265 1.00 9.60 C ATOM 155 O ILE A 118 19.730 8.017 5.841 1.00 10.37 O ATOM 156 CB ILE A 118 16.903 8.644 6.678 1.00 11.32 C ATOM 157 CG1 ILE A 118 15.374 8.556 6.559 1.00 13.17 C ATOM 158 CG2 ILE A 118 17.314 9.829 7.523 1.00 11.55 C ATOM 159 CD1 ILE A 118 14.652 8.331 7.857 1.00 14.57 C ATOM 160 H ILE A 118 17.032 6.666 4.886 1.00 0.00 H ATOM 161 N ASN A 119 19.534 9.863 4.560 1.00 9.34 N ATOM 162 CA ASN A 119 20.962 10.040 4.365 1.00 9.56 C ATOM 163 C ASN A 119 21.685 10.347 5.659 1.00 9.77 C ATOM 164 O ASN A 119 22.823 9.924 5.872 1.00 11.16 O ATOM 165 CB ASN A 119 21.210 11.179 3.381 1.00 9.74 C ATOM 166 CG ASN A 119 22.689 11.482 3.208 1.00 10.94 C ATOM 167 OD1 ASN A 119 23.417 10.706 2.585 1.00 12.43 O ATOM 168 ND2 ASN A 119 23.141 12.604 3.765 1.00 12.03 N ATOM 169 HD22 ASN A 119 22.488 13.228 4.281 1.00 0.00 H ATOM 170 HD21 ASN A 119 24.147 12.856 3.684 1.00 0.00 H ATOM 171 H ASN A 119 18.881 10.551 4.133 1.00 0.00 H ATOM 172 N ASN A 120 21.027 11.117 6.508 1.00 9.35 N ATOM 173 CA ASN A 120 21.624 11.560 7.759 1.00 9.30 C ATOM 174 C ASN A 120 20.527 12.048 8.684 1.00 9.22 C ATOM 175 O ASN A 120 19.398 12.292 8.246 1.00 9.95 O ATOM 176 CB ASN A 120 22.719 12.627 7.545 1.00 9.03 C ATOM 177 CG ASN A 120 22.184 13.946 7.017 1.00 9.20 C ATOM 178 OD1 ASN A 120 21.595 14.010 5.939 1.00 9.90 O ATOM 179 ND2 ASN A 120 22.433 15.017 7.758 1.00 10.18 N ATOM 180 HD22 ASN A 120 22.934 14.918 8.664 1.00 0.00 H ATOM 181 HD21 ASN A 120 22.127 15.956 7.433 1.00 0.00 H ATOM 182 H ASN A 120 20.058 11.414 6.276 1.00 0.00 H ATOM 183 N TYR A 121 20.872 12.177 9.957 1.00 10.42 N ATOM 184 CA TYR A 121 19.904 12.463 11.004 1.00 10.53 C ATOM 185 C TYR A 121 20.204 13.765 11.719 1.00 11.42 C ATOM 186 O TYR A 121 21.346 14.013 12.107 1.00 12.88 O ATOM 187 CB TYR A 121 19.906 11.324 12.017 1.00 10.96 C ATOM 188 CG TYR A 121 19.254 10.077 11.482 1.00 10.58 C ATOM 189 CD1 TYR A 121 17.906 9.819 11.713 1.00 10.69 C ATOM 190 CD2 TYR A 121 19.985 9.156 10.735 1.00 11.04 C ATOM 191 CE1 TYR A 121 17.297 8.693 11.209 1.00 11.11 C ATOM 192 CE2 TYR A 121 19.386 8.016 10.230 1.00 11.03 C ATOM 193 CZ TYR A 121 18.048 7.785 10.483 1.00 10.94 C ATOM 194 OH TYR A 121 17.461 6.659 9.980 1.00 12.76 O ATOM 195 HH TYR A 121 16.508 6.638 10.246 1.00 0.00 H ATOM 196 H TYR A 121 21.873 12.070 10.217 1.00 0.00 H ATOM 197 N THR A 122 19.178 14.597 11.891 1.00 10.90 N ATOM 198 CA THR A 122 19.320 15.793 12.691 1.00 11.42 C ATOM 199 C THR A 122 19.621 15.419 14.135 1.00 12.30 C ATOM 200 O THR A 122 19.057 14.474 14.663 1.00 13.49 O ATOM 201 CB THR A 122 18.056 16.672 12.655 1.00 11.42 C ATOM 202 OG1 THR A 122 18.209 17.726 13.610 1.00 12.10 O ATOM 203 CG2 THR A 122 16.800 15.863 12.985 1.00 11.81 C ATOM 204 HG1 THR A 122 19.005 18.267 13.378 1.00 0.00 H ATOM 205 H THR A 122 18.263 14.384 11.444 1.00 0.00 H ATOM 206 N PRO A 123 20.528 16.158 14.779 1.00 13.33 N ATOM 207 CA PRO A 123 20.782 15.924 16.203 1.00 13.58 C ATOM 208 C PRO A 123 19.670 16.482 17.082 1.00 13.44 C ATOM 209 O PRO A 123 19.699 16.262 18.293 1.00 14.58 O ATOM 210 CB PRO A 123 22.075 16.704 16.453 1.00 14.67 C ATOM 211 CG PRO A 123 22.039 17.808 15.440 1.00 14.85 C ATOM 212 CD PRO A 123 21.429 17.176 14.211 1.00 14.07 C ATOM 213 N ASP A 124 18.718 17.200 16.483 1.00 12.92 N ATOM 214 CA ASP A 124 17.624 17.813 17.245 1.00 12.85 C ATOM 215 C ASP A 124 16.687 16.772 17.863 1.00 13.85 C ATOM 216 O ASP A 124 16.047 17.034 18.888 1.00 14.38 O ATOM 217 CB ASP A 124 16.781 18.728 16.362 1.00 12.56 C ATOM 218 CG ASP A 124 17.591 19.804 15.656 1.00 12.33 C ATOM 219 OD1 ASP A 124 18.764 20.065 16.002 1.00 13.67 O ATOM 220 OD2 ASP A 124 17.020 20.395 14.733 1.00 11.88 O ATOM 221 H ASP A 124 18.752 17.328 15.451 1.00 0.00 H ATOM 222 N MET A 125 16.590 15.614 17.215 1.00 14.78 N ATOM 223 CA MET A 125 15.681 14.542 17.607 1.00 16.10 C ATOM 224 C MET A 125 16.482 13.260 17.643 1.00 17.19 C ATOM 225 O MET A 125 17.567 13.184 17.075 1.00 18.65 O ATOM 226 CB MET A 125 14.567 14.392 16.562 1.00 17.33 C ATOM 227 CG MET A 125 13.704 15.627 16.373 1.00 17.95 C ATOM 228 SD MET A 125 12.697 15.591 14.872 1.00 17.21 S ATOM 229 CE MET A 125 11.972 13.980 15.031 1.00 15.40 C ATOM 230 H MET A 125 17.196 15.465 16.383 1.00 0.00 H ATOM 231 N ASN A 126 15.956 12.230 18.288 1.00 17.99 N ATOM 232 CA ASN A 126 16.641 10.951 18.208 1.00 17.83 C ATOM 233 C ASN A 126 16.283 10.232 16.913 1.00 16.98 C ATOM 234 O ASN A 126 15.289 10.550 16.262 1.00 16.94 O ATOM 235 CB ASN A 126 16.411 10.081 19.447 1.00 18.65 C ATOM 236 CG ASN A 126 14.995 9.586 19.565 1.00 19.99 C ATOM 237 OD1 ASN A 126 14.364 9.225 18.576 1.00 20.44 O ATOM 238 ND2 ASN A 126 14.494 9.539 20.789 1.00 22.18 N ATOM 239 HD22 ASN A 126 15.066 9.856 21.598 1.00 0.00 H ATOM 240 HD21 ASN A 126 13.528 9.185 20.942 1.00 0.00 H ATOM 241 H ASN A 126 15.078 12.333 18.836 1.00 0.00 H ATOM 242 N ARG A 127 17.128 9.285 16.540 1.00 16.93 N ATOM 243 CA ARG A 127 17.045 8.600 15.267 1.00 16.71 C ATOM 244 C ARG A 127 15.691 7.942 15.019 1.00 14.94 C ATOM 245 O ARG A 127 15.105 8.069 13.947 1.00 15.36 O ATOM 246 CB ARG A 127 18.140 7.546 15.250 1.00 19.10 C ATOM 247 CG ARG A 127 18.280 6.792 13.980 1.00 22.68 C ATOM 248 CD ARG A 127 19.414 5.796 14.103 1.00 25.90 C ATOM 249 NE ARG A 127 19.672 5.152 12.827 1.00 27.31 N ATOM 250 CZ ARG A 127 20.686 5.461 12.027 1.00 27.84 C ATOM 251 NH1 ARG A 127 20.827 4.823 10.877 1.00 28.70 N ATOM 252 NH2 ARG A 127 21.562 6.395 12.378 1.00 28.02 N ATOM 253 HE ARG A 127 19.021 4.401 12.520 1.00 0.00 H ATOM 254 HH12 ARG A 127 21.618 5.059 10.245 1.00 0.00 H ATOM 255 HH11 ARG A 127 20.146 4.085 10.605 1.00 0.00 H ATOM 256 HH22 ARG A 127 22.353 6.630 11.745 1.00 0.00 H ATOM 257 HH21 ARG A 127 21.457 6.891 13.286 1.00 0.00 H ATOM 258 H ARG A 127 17.891 9.019 17.195 1.00 0.00 H ATOM 259 N GLU A 128 15.205 7.250 16.040 1.00 15.02 N ATOM 260 CA GLU A 128 13.948 6.531 15.950 1.00 15.36 C ATOM 261 C GLU A 128 12.780 7.484 15.690 1.00 14.14 C ATOM 262 O GLU A 128 11.851 7.152 14.955 1.00 13.64 O ATOM 263 CB GLU A 128 13.718 5.704 17.219 1.00 17.51 C ATOM 264 CG GLU A 128 14.753 4.598 17.428 1.00 20.85 C ATOM 265 CD GLU A 128 16.104 5.123 17.897 1.00 25.93 C ATOM 266 OE1 GLU A 128 16.134 6.199 18.531 1.00 26.32 O ATOM 267 OE2 GLU A 128 17.132 4.463 17.623 1.00 29.12 O ATOM 268 H GLU A 128 15.740 7.222 16.931 1.00 0.00 H ATOM 269 N ASP A 129 12.844 8.677 16.272 1.00 14.06 N ATOM 270 CA ASP A 129 11.789 9.668 16.089 1.00 13.33 C ATOM 271 C ASP A 129 11.834 10.289 14.697 1.00 11.55 C ATOM 272 O ASP A 129 10.799 10.611 14.121 1.00 12.58 O ATOM 273 CB ASP A 129 11.854 10.747 17.165 1.00 15.33 C ATOM 274 CG ASP A 129 11.465 10.217 18.542 1.00 19.10 C ATOM 275 OD1 ASP A 129 10.847 9.130 18.612 1.00 21.53 O ATOM 276 OD2 ASP A 129 11.777 10.886 19.545 1.00 20.20 O ATOM 277 H ASP A 129 13.663 8.909 16.870 1.00 0.00 H ATOM 278 N VAL A 130 13.031 10.476 14.155 1.00 10.61 N ATOM 279 CA VAL A 130 13.146 10.913 12.770 1.00 10.04 C ATOM 280 C VAL A 130 12.553 9.849 11.828 1.00 9.91 C ATOM 281 O VAL A 130 11.753 10.170 10.943 1.00 10.60 O ATOM 282 CB VAL A 130 14.605 11.214 12.388 1.00 10.19 C ATOM 283 CG1 VAL A 130 14.716 11.464 10.891 1.00 10.24 C ATOM 284 CG2 VAL A 130 15.134 12.404 13.195 1.00 10.70 C ATOM 285 H VAL A 130 13.888 10.310 14.720 1.00 0.00 H ATOM 286 N ASP A 131 12.927 8.586 12.031 1.00 10.27 N ATOM 287 CA ASP A 131 12.420 7.492 11.204 1.00 10.31 C ATOM 288 C ASP A 131 10.897 7.470 11.236 1.00 10.05 C ATOM 289 O ASP A 131 10.240 7.316 10.202 1.00 10.22 O ATOM 290 CB ASP A 131 12.923 6.137 11.700 1.00 11.24 C ATOM 291 CG ASP A 131 14.381 5.878 11.382 1.00 14.07 C ATOM 292 OD1 ASP A 131 14.984 6.630 10.599 1.00 14.32 O ATOM 293 OD2 ASP A 131 14.915 4.895 11.932 1.00 17.31 O ATOM 294 H ASP A 131 13.597 8.373 12.798 1.00 0.00 H ATOM 295 N TYR A 132 10.338 7.608 12.435 1.00 10.51 N ATOM 296 CA TYR A 132 8.895 7.573 12.622 1.00 11.50 C ATOM 297 C TYR A 132 8.201 8.726 11.892 1.00 10.92 C ATOM 298 O TYR A 132 7.228 8.516 11.164 1.00 11.85 O ATOM 299 CB TYR A 132 8.565 7.607 14.112 1.00 13.05 C ATOM 300 CG TYR A 132 7.097 7.490 14.424 1.00 15.31 C ATOM 301 CD1 TYR A 132 6.380 8.583 14.891 1.00 15.80 C ATOM 302 CD2 TYR A 132 6.426 6.283 14.260 1.00 16.71 C ATOM 303 CE1 TYR A 132 5.033 8.482 15.179 1.00 16.67 C ATOM 304 CE2 TYR A 132 5.081 6.169 14.550 1.00 17.63 C ATOM 305 CZ TYR A 132 4.391 7.274 15.004 1.00 17.63 C ATOM 306 OH TYR A 132 3.054 7.163 15.295 1.00 20.31 O ATOM 307 HH TYR A 132 2.711 8.038 15.606 1.00 0.00 H ATOM 308 H TYR A 132 10.951 7.745 13.264 1.00 0.00 H ATOM 309 N ALA A 133 8.707 9.943 12.076 1.00 10.66 N ATOM 310 CA ALA A 133 8.117 11.116 11.442 1.00 10.19 C ATOM 311 C ALA A 133 8.106 10.956 9.922 1.00 9.52 C ATOM 312 O ALA A 133 7.106 11.255 9.256 1.00 10.68 O ATOM 313 CB ALA A 133 8.867 12.390 11.842 1.00 11.20 C ATOM 314 H ALA A 133 9.542 10.060 12.685 1.00 0.00 H ATOM 315 N ILE A 134 9.219 10.481 9.375 1.00 9.47 N ATOM 316 CA ILE A 134 9.330 10.317 7.937 1.00 9.26 C ATOM 317 C ILE A 134 8.421 9.193 7.445 1.00 8.86 C ATOM 318 O ILE A 134 7.725 9.358 6.444 1.00 8.85 O ATOM 319 CB ILE A 134 10.795 10.085 7.514 1.00 9.41 C ATOM 320 CG1 ILE A 134 11.660 11.305 7.858 1.00 9.32 C ATOM 321 CG2 ILE A 134 10.908 9.769 6.036 1.00 9.76 C ATOM 322 CD1 ILE A 134 11.225 12.580 7.177 1.00 10.30 C ATOM 323 H ILE A 134 10.021 10.223 9.985 1.00 0.00 H ATOM 324 N ARG A 135 8.423 8.052 8.141 1.00 9.22 N ATOM 325 CA ARG A 135 7.538 6.957 7.764 1.00 9.62 C ATOM 326 C ARG A 135 6.070 7.400 7.764 1.00 9.44 C ATOM 327 O ARG A 135 5.339 7.130 6.819 1.00 10.06 O ATOM 328 CB ARG A 135 7.746 5.746 8.673 1.00 10.77 C ATOM 329 CG ARG A 135 6.850 4.567 8.301 1.00 12.29 C ATOM 330 CD ARG A 135 7.084 3.331 9.175 1.00 15.80 C ATOM 331 NE ARG A 135 6.621 3.527 10.544 1.00 19.37 N ATOM 332 CZ ARG A 135 5.351 3.409 10.931 1.00 23.44 C ATOM 333 NH1 ARG A 135 4.406 3.111 10.048 1.00 23.92 N ATOM 334 NH2 ARG A 135 5.020 3.600 12.203 1.00 25.85 N ATOM 335 HE ARG A 135 7.328 3.775 11.265 1.00 0.00 H ATOM 336 HH12 ARG A 135 3.417 3.020 10.356 1.00 0.00 H ATOM 337 HH11 ARG A 135 4.655 2.968 9.048 1.00 0.00 H ATOM 338 HH22 ARG A 135 4.028 3.507 12.502 1.00 0.00 H ATOM 339 HH21 ARG A 135 5.753 3.842 12.900 1.00 0.00 H ATOM 340 H ARG A 135 9.060 7.945 8.956 1.00 0.00 H ATOM 341 N LYS A 136 5.656 8.114 8.805 1.00 9.48 N ATOM 342 CA LYS A 136 4.276 8.578 8.875 1.00 10.22 C ATOM 343 C LYS A 136 3.946 9.580 7.777 1.00 9.20 C ATOM 344 O LYS A 136 2.828 9.591 7.266 1.00 10.35 O ATOM 345 CB LYS A 136 3.942 9.152 10.251 1.00 12.09 C ATOM 346 CG LYS A 136 4.038 8.122 11.377 1.00 14.38 C ATOM 347 CD LYS A 136 3.040 6.979 11.220 1.00 17.64 C ATOM 348 CE LYS A 136 1.656 7.390 11.690 1.00 21.18 C ATOM 349 NZ LYS A 136 0.736 6.223 11.819 1.00 24.14 N ATOM 350 HZ1 LYS A 136 0.639 5.756 10.895 1.00 0.00 H ATOM 351 HZ2 LYS A 136 1.126 5.550 12.510 1.00 0.00 H ATOM 352 HZ3 LYS A 136 -0.196 6.552 12.142 1.00 0.00 H ATOM 353 H LYS A 136 6.319 8.343 9.573 1.00 0.00 H ATOM 354 N ALA A 137 4.917 10.408 7.399 1.00 8.10 N ATOM 355 CA ALA A 137 4.687 11.396 6.352 1.00 8.05 C ATOM 356 C ALA A 137 4.475 10.713 5.004 1.00 8.21 C ATOM 357 O ALA A 137 3.597 11.109 4.236 1.00 9.65 O ATOM 358 CB ALA A 137 5.844 12.384 6.279 1.00 8.85 C ATOM 359 H ALA A 137 5.850 10.350 7.855 1.00 0.00 H ATOM 360 N PHE A 138 5.272 9.685 4.703 1.00 7.65 N ATOM 361 CA PHE A 138 5.040 8.908 3.489 1.00 7.82 C ATOM 362 C PHE A 138 3.667 8.235 3.506 1.00 7.70 C ATOM 363 O PHE A 138 2.974 8.206 2.489 1.00 9.05 O ATOM 364 CB PHE A 138 6.153 7.872 3.275 1.00 7.79 C ATOM 365 CG PHE A 138 7.378 8.438 2.619 1.00 8.47 C ATOM 366 CD1 PHE A 138 8.561 8.616 3.338 1.00 8.10 C ATOM 367 CD2 PHE A 138 7.345 8.803 1.287 1.00 8.72 C ATOM 368 CE1 PHE A 138 9.688 9.150 2.723 1.00 7.87 C ATOM 369 CE2 PHE A 138 8.457 9.341 0.666 1.00 8.06 C ATOM 370 CZ PHE A 138 9.635 9.509 1.386 1.00 7.92 C ATOM 371 H PHE A 138 6.060 9.437 5.335 1.00 0.00 H ATOM 372 N GLN A 139 3.275 7.728 4.670 1.00 8.37 N ATOM 373 CA GLN A 139 1.998 7.035 4.826 1.00 9.29 C ATOM 374 C GLN A 139 0.811 7.937 4.484 1.00 9.60 C ATOM 375 O GLN A 139 -0.177 7.480 3.924 1.00 10.40 O ATOM 376 CB GLN A 139 1.880 6.511 6.244 1.00 10.94 C ATOM 377 CG GLN A 139 0.655 5.663 6.489 1.00 15.20 C ATOM 378 CD GLN A 139 0.600 5.196 7.912 1.00 20.45 C ATOM 379 OE1 GLN A 139 0.514 6.004 8.836 1.00 22.64 O ATOM 380 NE2 GLN A 139 0.685 3.890 8.107 1.00 23.45 N ATOM 381 HE22 GLN A 139 0.756 3.246 7.293 1.00 0.00 H ATOM 382 HE21 GLN A 139 0.681 3.507 9.074 1.00 0.00 H ATOM 383 H GLN A 139 3.897 7.828 5.497 1.00 0.00 H ATOM 384 N VAL A 140 0.918 9.223 4.801 1.00 9.32 N ATOM 385 CA VAL A 140 -0.127 10.192 4.482 1.00 9.45 C ATOM 386 C VAL A 140 -0.458 10.156 2.988 1.00 9.17 C ATOM 387 O VAL A 140 -1.634 10.160 2.592 1.00 10.58 O ATOM 388 CB VAL A 140 0.326 11.618 4.890 1.00 10.83 C ATOM 389 CG1 VAL A 140 -0.556 12.691 4.292 1.00 11.71 C ATOM 390 CG2 VAL A 140 0.357 11.742 6.403 1.00 11.89 C ATOM 391 H VAL A 140 1.774 9.550 5.292 1.00 0.00 H ATOM 392 N TRP A 141 0.578 10.102 2.161 1.00 7.99 N ATOM 393 CA TRP A 141 0.388 10.107 0.727 1.00 7.61 C ATOM 394 C TRP A 141 0.047 8.728 0.156 1.00 8.59 C ATOM 395 O TRP A 141 -0.733 8.620 -0.793 1.00 9.85 O ATOM 396 CB TRP A 141 1.617 10.685 0.030 1.00 8.22 C ATOM 397 CG TRP A 141 1.874 12.111 0.380 1.00 7.84 C ATOM 398 CD1 TRP A 141 2.943 12.604 1.069 1.00 7.98 C ATOM 399 CD2 TRP A 141 1.053 13.238 0.048 1.00 8.55 C ATOM 400 NE1 TRP A 141 2.828 13.971 1.191 1.00 8.38 N ATOM 401 CE2 TRP A 141 1.681 14.383 0.567 1.00 8.65 C ATOM 402 CE3 TRP A 141 -0.152 13.386 -0.641 1.00 8.68 C ATOM 403 CZ2 TRP A 141 1.146 15.665 0.419 1.00 9.09 C ATOM 404 CZ3 TRP A 141 -0.688 14.655 -0.781 1.00 9.48 C ATOM 405 CH2 TRP A 141 -0.037 15.778 -0.257 1.00 9.51 C ATOM 406 HE1 TRP A 141 3.505 14.592 1.679 1.00 0.00 H ATOM 407 H TRP A 141 1.542 10.055 2.550 1.00 0.00 H ATOM 408 N SER A 142 0.627 7.667 0.716 1.00 7.99 N ATOM 409 CA SER A 142 0.275 6.327 0.249 1.00 7.94 C ATOM 410 C SER A 142 -1.184 5.985 0.568 1.00 8.38 C ATOM 411 O SER A 142 -1.800 5.215 -0.160 1.00 9.47 O ATOM 412 CB SER A 142 1.221 5.268 0.818 1.00 8.89 C ATOM 413 OG SER A 142 1.263 5.331 2.226 1.00 9.52 O ATOM 414 HG SER A 142 0.355 5.175 2.589 1.00 0.00 H ATOM 415 H SER A 142 1.324 7.791 1.478 1.00 0.00 H ATOM 416 N ASN A 143 -1.739 6.591 1.620 1.00 8.73 N ATOM 417 CA ASN A 143 -3.132 6.356 2.014 1.00 9.90 C ATOM 418 C ASN A 143 -4.160 6.740 0.953 1.00 9.44 C ATOM 419 O ASN A 143 -5.285 6.249 0.981 1.00 10.19 O ATOM 420 CB ASN A 143 -3.469 7.111 3.301 1.00 13.09 C ATOM 421 CG ASN A 143 -2.944 6.426 4.546 1.00 17.52 C ATOM 422 OD1 ASN A 143 -2.574 5.255 4.519 1.00 19.16 O ATOM 423 ND2 ASN A 143 -2.915 7.163 5.655 1.00 19.50 N ATOM 424 HD22 ASN A 143 -3.238 8.151 5.631 1.00 0.00 H ATOM 425 HD21 ASN A 143 -2.569 6.750 6.545 1.00 0.00 H ATOM 426 H ASN A 143 -1.164 7.253 2.179 1.00 0.00 H ATOM 427 N VAL A 144 -3.801 7.637 0.041 1.00 9.09 N ATOM 428 CA VAL A 144 -4.753 8.140 -0.948 1.00 9.76 C ATOM 429 C VAL A 144 -4.297 7.981 -2.396 1.00 9.98 C ATOM 430 O VAL A 144 -4.845 8.599 -3.299 1.00 10.52 O ATOM 431 CB VAL A 144 -5.100 9.629 -0.683 1.00 10.60 C ATOM 432 CG1 VAL A 144 -5.713 9.789 0.696 1.00 11.79 C ATOM 433 CG2 VAL A 144 -3.851 10.504 -0.811 1.00 10.89 C ATOM 434 H VAL A 144 -2.822 7.989 0.030 1.00 0.00 H ATOM 435 N THR A 145 -3.290 7.143 -2.610 1.00 9.35 N ATOM 436 CA THR A 145 -2.783 6.882 -3.947 1.00 9.57 C ATOM 437 C THR A 145 -2.407 5.415 -4.050 1.00 9.73 C ATOM 438 O THR A 145 -2.471 4.690 -3.072 1.00 10.15 O ATOM 439 CB THR A 145 -1.501 7.684 -4.242 1.00 10.27 C ATOM 440 OG1 THR A 145 -0.468 7.278 -3.336 1.00 10.30 O ATOM 441 CG2 THR A 145 -1.736 9.182 -4.107 1.00 10.77 C ATOM 442 HG1 THR A 145 -0.760 7.450 -2.406 1.00 0.00 H ATOM 443 H THR A 145 -2.852 6.660 -1.799 1.00 0.00 H ATOM 444 N PRO A 146 -1.991 4.994 -5.234 1.00 10.49 N ATOM 445 CA PRO A 146 -1.512 3.619 -5.406 1.00 10.67 C ATOM 446 C PRO A 146 -0.031 3.501 -5.038 1.00 10.12 C ATOM 447 O PRO A 146 0.536 2.422 -5.170 1.00 11.62 O ATOM 448 CB PRO A 146 -1.706 3.359 -6.898 1.00 12.07 C ATOM 449 CG PRO A 146 -1.698 4.695 -7.535 1.00 13.18 C ATOM 450 CD PRO A 146 -2.224 5.668 -6.523 1.00 12.26 C ATOM 451 N LEU A 147 0.585 4.590 -4.579 1.00 8.68 N ATOM 452 CA LEU A 147 2.013 4.568 -4.284 1.00 8.05 C ATOM 453 C LEU A 147 2.343 3.799 -3.029 1.00 8.36 C ATOM 454 O LEU A 147 1.623 3.881 -2.031 1.00 8.96 O ATOM 455 CB LEU A 147 2.531 5.986 -4.133 1.00 8.32 C ATOM 456 CG LEU A 147 2.315 6.892 -5.341 1.00 9.43 C ATOM 457 CD1 LEU A 147 2.862 8.283 -5.035 1.00 9.98 C ATOM 458 CD2 LEU A 147 2.975 6.322 -6.579 1.00 11.27 C ATOM 459 H LEU A 147 0.042 5.464 -4.430 1.00 0.00 H ATOM 460 N LYS A 148 3.450 3.059 -3.084 1.00 8.62 N ATOM 461 CA LYS A 148 3.981 2.414 -1.892 1.00 8.47 C ATOM 462 C LYS A 148 5.422 2.850 -1.677 1.00 8.19 C ATOM 463 O LYS A 148 6.179 2.976 -2.637 1.00 9.64 O ATOM 464 CB LYS A 148 3.915 0.893 -2.022 1.00 8.30 C ATOM 465 CG LYS A 148 2.494 0.380 -2.120 1.00 8.63 C ATOM 466 CD LYS A 148 2.440 -1.128 -1.964 1.00 8.32 C ATOM 467 CE LYS A 148 0.998 -1.568 -1.894 1.00 8.73 C ATOM 468 NZ LYS A 148 0.917 -2.992 -1.500 1.00 8.81 N ATOM 469 HZ1 LYS A 148 1.417 -3.574 -2.202 1.00 0.00 H ATOM 470 HZ2 LYS A 148 1.358 -3.118 -0.566 1.00 0.00 H ATOM 471 HZ3 LYS A 148 -0.081 -3.282 -1.456 1.00 0.00 H ATOM 472 H LYS A 148 3.942 2.941 -3.993 1.00 0.00 H ATOM 473 N PHE A 149 5.776 3.085 -0.419 1.00 8.09 N ATOM 474 CA PHE A 149 7.098 3.588 -0.055 1.00 7.68 C ATOM 475 C PHE A 149 7.795 2.607 0.861 1.00 9.37 C ATOM 476 O PHE A 149 7.231 2.180 1.868 1.00 10.93 O ATOM 477 CB PHE A 149 6.974 4.949 0.631 1.00 8.78 C ATOM 478 CG PHE A 149 6.275 5.971 -0.202 1.00 8.56 C ATOM 479 CD1 PHE A 149 6.928 6.570 -1.271 1.00 9.13 C ATOM 480 CD2 PHE A 149 4.955 6.322 0.066 1.00 8.89 C ATOM 481 CE1 PHE A 149 6.278 7.522 -2.047 1.00 9.25 C ATOM 482 CE2 PHE A 149 4.305 7.272 -0.707 1.00 9.83 C ATOM 483 CZ PHE A 149 4.967 7.866 -1.766 1.00 9.68 C ATOM 484 H PHE A 149 5.085 2.904 0.337 1.00 0.00 H ATOM 485 N SER A 150 9.019 2.253 0.502 1.00 9.57 N ATOM 486 CA SER A 150 9.846 1.400 1.341 1.00 9.15 C ATOM 487 C SER A 150 11.141 2.116 1.710 1.00 8.93 C ATOM 488 O SER A 150 11.831 2.662 0.851 1.00 8.88 O ATOM 489 CB SER A 150 10.164 0.074 0.642 1.00 10.89 C ATOM 490 OG SER A 150 9.016 -0.767 0.612 1.00 12.41 O ATOM 491 HG SER A 150 8.288 -0.312 0.120 1.00 0.00 H ATOM 492 H SER A 150 9.399 2.594 -0.404 1.00 0.00 H ATOM 493 N LYS A 151 11.449 2.117 3.001 1.00 10.16 N ATOM 494 CA LYS A 151 12.728 2.601 3.483 1.00 9.95 C ATOM 495 C LYS A 151 13.815 1.581 3.182 1.00 9.62 C ATOM 496 O LYS A 151 13.641 0.376 3.420 1.00 12.43 O ATOM 497 CB LYS A 151 12.661 2.843 4.984 1.00 11.34 C ATOM 498 CG LYS A 151 13.913 3.448 5.600 1.00 12.94 C ATOM 499 CD LYS A 151 13.688 3.693 7.077 1.00 14.94 C ATOM 500 CE LYS A 151 14.915 4.282 7.745 1.00 16.42 C ATOM 501 NZ LYS A 151 15.990 3.269 7.885 1.00 17.67 N ATOM 502 HZ1 LYS A 151 15.645 2.477 8.464 1.00 0.00 H ATOM 503 HZ2 LYS A 151 16.260 2.920 6.943 1.00 0.00 H ATOM 504 HZ3 LYS A 151 16.816 3.703 8.345 1.00 0.00 H ATOM 505 H LYS A 151 10.753 1.760 3.687 1.00 0.00 H ATOM 506 N ILE A 152 14.937 2.054 2.651 1.00 8.98 N ATOM 507 CA ILE A 152 16.112 1.203 2.493 1.00 9.30 C ATOM 508 C ILE A 152 17.301 1.871 3.148 1.00 9.44 C ATOM 509 O ILE A 152 17.366 3.099 3.253 1.00 10.41 O ATOM 510 CB ILE A 152 16.418 0.882 1.026 1.00 10.55 C ATOM 511 CG1 ILE A 152 16.814 2.144 0.257 1.00 10.71 C ATOM 512 CG2 ILE A 152 15.234 0.192 0.365 1.00 12.24 C ATOM 513 CD1 ILE A 152 17.169 1.882 -1.186 1.00 12.91 C ATOM 514 H ILE A 152 14.979 3.046 2.343 1.00 0.00 H ATOM 515 N ASN A 153 18.236 1.053 3.614 1.00 11.31 N ATOM 516 CA ASN A 153 19.466 1.554 4.221 1.00 13.37 C ATOM 517 C ASN A 153 20.644 1.383 3.279 1.00 14.87 C ATOM 518 O ASN A 153 21.615 2.138 3.331 1.00 16.70 O ATOM 519 CB ASN A 153 19.758 0.813 5.520 1.00 15.43 C ATOM 520 CG ASN A 153 18.724 1.087 6.581 1.00 18.47 C ATOM 521 OD1 ASN A 153 18.006 2.082 6.511 1.00 19.96 O ATOM 522 ND2 ASN A 153 18.630 0.203 7.566 1.00 21.38 N ATOM 523 HD22 ASN A 153 19.259 -0.625 7.584 1.00 0.00 H ATOM 524 HD21 ASN A 153 17.927 0.338 8.320 1.00 0.00 H ATOM 525 H ASN A 153 18.089 0.026 3.545 1.00 0.00 H ATOM 526 N THR A 154 20.553 0.373 2.423 1.00 15.28 N ATOM 527 CA THR A 154 21.624 0.037 1.501 1.00 16.31 C ATOM 528 C THR A 154 21.026 -0.065 0.111 1.00 15.44 C ATOM 529 O THR A 154 20.048 -0.770 -0.091 1.00 17.52 O ATOM 530 CB THR A 154 22.295 -1.286 1.901 1.00 19.18 C ATOM 531 OG1 THR A 154 23.024 -1.084 3.117 1.00 20.86 O ATOM 532 CG2 THR A 154 23.262 -1.783 0.817 1.00 20.71 C ATOM 533 HG1 THR A 154 23.713 -0.387 2.976 1.00 0.00 H ATOM 534 H THR A 154 19.684 -0.198 2.412 1.00 0.00 H ATOM 535 N GLY A 155 21.596 0.663 -0.843 1.00 13.80 N ATOM 536 CA GLY A 155 21.072 0.665 -2.195 1.00 13.08 C ATOM 537 C GLY A 155 20.833 2.064 -2.722 1.00 11.86 C ATOM 538 O GLY A 155 21.266 3.053 -2.116 1.00 13.90 O ATOM 539 H GLY A 155 22.431 1.240 -0.617 1.00 0.00 H ATOM 540 N MET A 156 20.149 2.147 -3.856 1.00 11.36 N ATOM 541 CA MET A 156 19.881 3.428 -4.488 1.00 11.02 C ATOM 542 C MET A 156 18.407 3.793 -4.362 1.00 10.62 C ATOM 543 O MET A 156 17.567 3.311 -5.119 1.00 11.03 O ATOM 544 CB MET A 156 20.305 3.394 -5.952 1.00 11.28 C ATOM 545 CG MET A 156 20.213 4.735 -6.652 1.00 11.52 C ATOM 546 SD MET A 156 21.180 4.749 -8.170 1.00 12.23 S ATOM 547 CE MET A 156 20.408 3.400 -9.055 1.00 11.28 C ATOM 548 H MET A 156 19.797 1.276 -4.302 1.00 0.00 H ATOM 549 N ALA A 157 18.108 4.644 -3.390 1.00 10.49 N ATOM 550 CA ALA A 157 16.748 5.055 -3.133 1.00 10.63 C ATOM 551 C ALA A 157 16.319 6.097 -4.144 1.00 10.11 C ATOM 552 O ALA A 157 17.155 6.810 -4.695 1.00 11.77 O ATOM 553 CB ALA A 157 16.628 5.616 -1.736 1.00 11.89 C ATOM 554 H ALA A 157 18.873 5.025 -2.797 1.00 0.00 H ATOM 555 N ASP A 158 15.015 6.183 -4.381 1.00 9.07 N ATOM 556 CA ASP A 158 14.463 7.256 -5.197 1.00 9.82 C ATOM 557 C ASP A 158 14.504 8.587 -4.464 1.00 9.50 C ATOM 558 O ASP A 158 14.944 9.599 -5.015 1.00 10.07 O ATOM 559 CB ASP A 158 13.031 6.920 -5.567 1.00 10.73 C ATOM 560 CG ASP A 158 12.942 5.659 -6.385 1.00 10.81 C ATOM 561 OD1 ASP A 158 12.296 4.693 -5.934 1.00 11.26 O ATOM 562 OD2 ASP A 158 13.554 5.630 -7.469 1.00 11.84 O ATOM 563 H ASP A 158 14.375 5.470 -3.976 1.00 0.00 H ATOM 564 N ILE A 159 14.039 8.592 -3.221 1.00 8.47 N ATOM 565 CA ILE A 159 13.957 9.831 -2.456 1.00 8.91 C ATOM 566 C ILE A 159 14.967 9.786 -1.325 1.00 9.28 C ATOM 567 O ILE A 159 14.851 8.976 -0.411 1.00 10.51 O ATOM 568 CB ILE A 159 12.534 10.039 -1.896 1.00 9.27 C ATOM 569 CG1 ILE A 159 11.553 10.266 -3.046 1.00 9.22 C ATOM 570 CG2 ILE A 159 12.495 11.211 -0.913 1.00 9.47 C ATOM 571 CD1 ILE A 159 10.086 10.165 -2.658 1.00 9.66 C ATOM 572 H ILE A 159 13.729 7.700 -2.786 1.00 0.00 H ATOM 573 N LEU A 160 15.982 10.635 -1.403 1.00 8.65 N ATOM 574 CA LEU A 160 16.941 10.744 -0.319 1.00 9.23 C ATOM 575 C LEU A 160 16.472 11.855 0.626 1.00 9.35 C ATOM 576 O LEU A 160 16.125 12.944 0.170 1.00 10.99 O ATOM 577 CB LEU A 160 18.326 11.060 -0.882 1.00 12.14 C ATOM 578 CG LEU A 160 19.511 10.739 0.001 1.00 14.66 C ATOM 579 CD1 LEU A 160 19.545 9.265 0.368 1.00 15.33 C ATOM 580 CD2 LEU A 160 20.771 11.123 -0.753 1.00 14.08 C ATOM 581 H LEU A 160 16.092 11.229 -2.250 1.00 0.00 H ATOM 582 N VAL A 161 16.430 11.565 1.924 1.00 8.46 N ATOM 583 CA VAL A 161 16.072 12.537 2.952 1.00 8.45 C ATOM 584 C VAL A 161 17.375 13.027 3.589 1.00 8.29 C ATOM 585 O VAL A 161 18.153 12.232 4.121 1.00 9.90 O ATOM 586 CB VAL A 161 15.147 11.917 4.032 1.00 10.06 C ATOM 587 CG1 VAL A 161 14.952 12.870 5.195 1.00 11.44 C ATOM 588 CG2 VAL A 161 13.797 11.511 3.414 1.00 10.39 C ATOM 589 H VAL A 161 16.664 10.596 2.221 1.00 0.00 H ATOM 590 N VAL A 162 17.604 14.340 3.534 1.00 7.64 N ATOM 591 CA VAL A 162 18.888 14.926 3.911 1.00 8.34 C ATOM 592 C VAL A 162 18.640 16.090 4.865 1.00 8.25 C ATOM 593 O VAL A 162 17.720 16.886 4.645 1.00 9.13 O ATOM 594 CB VAL A 162 19.619 15.469 2.660 1.00 9.27 C ATOM 595 CG1 VAL A 162 20.936 16.139 3.043 1.00 10.81 C ATOM 596 CG2 VAL A 162 19.873 14.374 1.628 1.00 9.89 C ATOM 597 H VAL A 162 16.841 14.969 3.211 1.00 0.00 H ATOM 598 N PHE A 163 19.444 16.189 5.918 1.00 8.07 N ATOM 599 CA PHE A 163 19.482 17.403 6.715 1.00 8.59 C ATOM 600 C PHE A 163 20.791 18.097 6.371 1.00 8.81 C ATOM 601 O PHE A 163 21.850 17.472 6.421 1.00 9.81 O ATOM 602 CB PHE A 163 19.418 17.097 8.216 1.00 8.99 C ATOM 603 CG PHE A 163 18.102 16.526 8.659 1.00 8.79 C ATOM 604 CD1 PHE A 163 17.866 15.155 8.624 1.00 9.61 C ATOM 605 CD2 PHE A 163 17.087 17.363 9.099 1.00 9.67 C ATOM 606 CE1 PHE A 163 16.645 14.636 9.025 1.00 10.78 C ATOM 607 CE2 PHE A 163 15.859 16.848 9.502 1.00 10.32 C ATOM 608 CZ PHE A 163 15.639 15.484 9.462 1.00 10.52 C ATOM 609 H PHE A 163 20.054 15.387 6.175 1.00 0.00 H ATOM 610 N ALA A 164 20.733 19.376 6.007 1.00 8.34 N ATOM 611 CA ALA A 164 21.941 20.101 5.613 1.00 8.62 C ATOM 612 C ALA A 164 21.804 21.568 5.937 1.00 8.72 C ATOM 613 O ALA A 164 20.720 22.037 6.269 1.00 9.51 O ATOM 614 CB ALA A 164 22.211 19.918 4.139 1.00 10.56 C ATOM 615 H ALA A 164 19.816 19.867 6.003 1.00 0.00 H ATOM 616 N ARG A 165 22.912 22.289 5.813 1.00 9.49 N ATOM 617 CA ARG A 165 23.010 23.661 6.280 1.00 9.85 C ATOM 618 C ARG A 165 23.434 24.591 5.160 1.00 8.62 C ATOM 619 O ARG A 165 24.267 24.221 4.334 1.00 9.26 O ATOM 620 CB ARG A 165 24.065 23.675 7.381 1.00 13.37 C ATOM 621 CG ARG A 165 24.336 25.003 8.005 1.00 15.31 C ATOM 622 CD ARG A 165 25.582 24.911 8.878 1.00 15.50 C ATOM 623 NE ARG A 165 26.814 24.809 8.089 1.00 16.61 N ATOM 624 CZ ARG A 165 27.721 23.841 8.215 1.00 17.02 C ATOM 625 NH1 ARG A 165 28.797 23.843 7.443 1.00 18.51 N ATOM 626 NH2 ARG A 165 27.557 22.864 9.103 1.00 17.04 N ATOM 627 HE ARG A 165 26.993 25.547 7.378 1.00 0.00 H ATOM 628 HH12 ARG A 165 29.507 23.089 7.539 1.00 0.00 H ATOM 629 HH11 ARG A 165 28.932 24.598 6.741 1.00 0.00 H ATOM 630 HH22 ARG A 165 28.273 22.115 9.190 1.00 0.00 H ATOM 631 HH21 ARG A 165 26.713 22.849 9.710 1.00 0.00 H ATOM 632 H ARG A 165 23.743 21.854 5.364 1.00 0.00 H ATOM 633 N GLY A 166 22.853 25.791 5.134 1.00 8.67 N ATOM 634 CA GLY A 166 23.315 26.859 4.257 1.00 8.72 C ATOM 635 C GLY A 166 23.490 26.424 2.817 1.00 9.50 C ATOM 636 O GLY A 166 22.607 25.783 2.240 1.00 9.11 O ATOM 637 H GLY A 166 22.043 25.971 5.761 1.00 0.00 H ATOM 638 N ALA A 167 24.640 26.753 2.238 1.00 9.31 N ATOM 639 CA ALA A 167 24.971 26.297 0.903 1.00 9.00 C ATOM 640 C ALA A 167 25.426 24.845 1.003 1.00 8.67 C ATOM 641 O ALA A 167 26.457 24.545 1.627 1.00 9.50 O ATOM 642 CB ALA A 167 26.064 27.177 0.304 1.00 10.81 C ATOM 643 H ALA A 167 25.317 27.351 2.754 1.00 0.00 H ATOM 644 N HIS A 168 24.656 23.941 0.404 1.00 9.13 N ATOM 645 CA HIS A 168 24.856 22.521 0.632 1.00 9.59 C ATOM 646 C HIS A 168 24.904 21.718 -0.661 1.00 10.16 C ATOM 647 O HIS A 168 24.509 20.554 -0.692 1.00 10.73 O ATOM 648 CB HIS A 168 23.783 21.965 1.577 1.00 9.18 C ATOM 649 CG HIS A 168 22.384 22.163 1.081 1.00 9.04 C ATOM 650 ND1 HIS A 168 21.694 23.344 1.251 1.00 9.56 N ATOM 651 CD2 HIS A 168 21.567 21.346 0.379 1.00 8.65 C ATOM 652 CE1 HIS A 168 20.496 23.234 0.707 1.00 8.55 C ATOM 653 NE2 HIS A 168 20.395 22.035 0.164 1.00 8.87 N ATOM 654 H HIS A 168 23.900 24.256 -0.237 1.00 0.00 H ATOM 655 N GLY A 169 25.389 22.337 -1.727 1.00 10.97 N ATOM 656 CA GLY A 169 25.734 21.594 -2.920 1.00 11.95 C ATOM 657 C GLY A 169 24.727 21.625 -4.046 1.00 13.20 C ATOM 658 O GLY A 169 24.924 20.970 -5.064 1.00 15.05 O ATOM 659 H GLY A 169 25.523 23.368 -1.706 1.00 0.00 H ATOM 660 N ASP A 170 23.649 22.378 -3.881 1.00 13.18 N ATOM 661 CA ASP A 170 22.673 22.495 -4.962 1.00 14.35 C ATOM 662 C ASP A 170 22.280 23.953 -5.184 1.00 16.95 C ATOM 663 O ASP A 170 22.895 24.853 -4.627 1.00 18.26 O ATOM 664 CB ASP A 170 21.452 21.590 -4.734 1.00 13.50 C ATOM 665 CG ASP A 170 20.703 21.912 -3.455 1.00 12.12 C ATOM 666 OD1 ASP A 170 20.110 20.976 -2.894 1.00 11.97 O ATOM 667 OD2 ASP A 170 20.677 23.088 -3.035 1.00 12.34 O ATOM 668 H ASP A 170 23.498 22.884 -2.985 1.00 0.00 H ATOM 669 N ASP A 171 21.231 24.187 -5.957 1.00 18.97 N ATOM 670 CA ASP A 171 20.900 25.548 -6.324 1.00 21.95 C ATOM 671 C ASP A 171 19.932 26.192 -5.388 1.00 20.31 C ATOM 672 O ASP A 171 19.447 27.217 -5.653 1.00 21.89 O ATOM 673 CB ASP A 171 20.342 25.544 -7.730 1.00 26.71 C ATOM 674 CG ASP A 171 21.401 25.317 -8.741 1.00 32.46 C ATOM 675 OD1 ASP A 171 22.485 25.773 -8.503 1.00 34.21 O ATOM 676 OD2 ASP A 171 21.118 24.690 -9.741 1.00 35.94 O ATOM 677 H ASP A 171 20.647 23.397 -6.299 1.00 0.00 H ATOM 678 N HIS A 172 19.687 25.593 -4.260 1.00 17.22 N ATOM 679 CA HIS A 172 18.709 26.091 -3.313 1.00 15.23 C ATOM 680 C HIS A 172 19.324 26.174 -1.931 1.00 13.28 C ATOM 681 O HIS A 172 19.014 25.381 -1.044 1.00 13.30 O ATOM 682 CB HIS A 172 17.458 25.208 -3.339 1.00 16.53 C ATOM 683 CG HIS A 172 16.902 25.014 -4.716 1.00 19.02 C ATOM 684 ND1 HIS A 172 16.077 25.937 -5.322 1.00 20.28 N ATOM 685 CD2 HIS A 172 17.100 24.032 -5.626 1.00 20.97 C ATOM 686 CE1 HIS A 172 15.765 25.516 -6.535 1.00 22.21 C ATOM 687 NE2 HIS A 172 16.374 24.362 -6.745 1.00 22.36 N ATOM 688 H HIS A 172 20.212 24.725 -4.029 1.00 0.00 H ATOM 689 N ALA A 173 20.213 27.146 -1.761 1.00 12.37 N ATOM 690 CA ALA A 173 20.873 27.361 -0.480 1.00 10.82 C ATOM 691 C ALA A 173 19.868 27.705 0.615 1.00 10.37 C ATOM 692 O ALA A 173 18.877 28.397 0.377 1.00 12.24 O ATOM 693 CB ALA A 173 21.920 28.445 -0.598 1.00 10.95 C ATOM 694 H ALA A 173 20.444 27.769 -2.562 1.00 0.00 H ATOM 695 N PHE A 174 20.118 27.189 1.808 1.00 9.09 N ATOM 696 CA PHE A 174 19.332 27.541 2.970 1.00 9.66 C ATOM 697 C PHE A 174 19.801 28.870 3.575 1.00 9.54 C ATOM 698 O PHE A 174 20.823 29.438 3.158 1.00 11.48 O ATOM 699 CB PHE A 174 19.384 26.415 4.006 1.00 8.64 C ATOM 700 CG PHE A 174 18.636 25.169 3.601 1.00 8.71 C ATOM 701 CD1 PHE A 174 19.186 23.918 3.822 1.00 8.69 C ATOM 702 CD2 PHE A 174 17.386 25.253 3.009 1.00 9.73 C ATOM 703 CE1 PHE A 174 18.497 22.760 3.475 1.00 9.50 C ATOM 704 CE2 PHE A 174 16.683 24.103 2.656 1.00 9.87 C ATOM 705 CZ PHE A 174 17.249 22.853 2.880 1.00 9.78 C ATOM 706 H PHE A 174 20.901 26.512 1.913 1.00 0.00 H ATOM 707 N ASP A 175 19.060 29.351 4.568 1.00 9.92 N ATOM 708 CA ASP A 175 19.166 30.725 5.020 1.00 10.36 C ATOM 709 C ASP A 175 19.294 30.846 6.530 1.00 10.96 C ATOM 710 O ASP A 175 19.011 31.909 7.094 1.00 12.73 O ATOM 711 CB ASP A 175 17.929 31.513 4.562 1.00 10.85 C ATOM 712 CG ASP A 175 16.617 30.870 5.009 1.00 11.29 C ATOM 713 OD1 ASP A 175 15.542 31.428 4.707 1.00 12.57 O ATOM 714 OD2 ASP A 175 16.653 29.784 5.637 1.00 10.85 O ATOM 715 H ASP A 175 18.380 28.720 5.038 1.00 0.00 H ATOM 716 N GLY A 176 19.740 29.781 7.183 1.00 11.81 N ATOM 717 CA GLY A 176 19.844 29.804 8.627 1.00 11.52 C ATOM 718 C GLY A 176 18.469 29.654 9.255 1.00 11.44 C ATOM 719 O GLY A 176 17.493 29.290 8.583 1.00 12.09 O ATOM 720 H GLY A 176 20.016 28.927 6.657 1.00 0.00 H ATOM 721 N LYS A 177 18.372 29.935 10.548 1.00 13.15 N ATOM 722 CA LYS A 177 17.121 29.690 11.248 1.00 13.91 C ATOM 723 C LYS A 177 15.978 30.554 10.730 1.00 14.04 C ATOM 724 O LYS A 177 16.135 31.760 10.535 1.00 15.81 O ATOM 725 CB LYS A 177 17.278 29.882 12.754 1.00 16.14 C ATOM 726 CG LYS A 177 16.100 29.355 13.544 1.00 18.81 C ATOM 727 CD LYS A 177 16.303 29.559 15.026 1.00 21.66 C ATOM 728 CE LYS A 177 15.301 28.744 15.831 1.00 23.40 C ATOM 729 NZ LYS A 177 13.916 29.284 15.783 1.00 23.51 N ATOM 730 HZ1 LYS A 177 13.909 30.251 16.166 1.00 0.00 H ATOM 731 HZ2 LYS A 177 13.585 29.298 14.797 1.00 0.00 H ATOM 732 HZ3 LYS A 177 13.290 28.680 16.352 1.00 0.00 H ATOM 733 H LYS A 177 19.188 30.329 11.059 1.00 0.00 H ATOM 734 N GLY A 178 14.829 29.923 10.508 1.00 13.37 N ATOM 735 CA GLY A 178 13.660 30.607 9.981 1.00 12.92 C ATOM 736 C GLY A 178 13.657 30.627 8.466 1.00 11.78 C ATOM 737 O GLY A 178 14.443 29.923 7.836 1.00 12.20 O ATOM 738 H GLY A 178 14.765 28.907 10.718 1.00 0.00 H ATOM 739 N GLY A 179 12.777 31.432 7.878 1.00 11.20 N ATOM 740 CA GLY A 179 12.702 31.522 6.436 1.00 10.52 C ATOM 741 C GLY A 179 12.367 30.187 5.808 1.00 10.40 C ATOM 742 O GLY A 179 11.391 29.542 6.183 1.00 11.05 O ATOM 743 H GLY A 179 12.134 32.004 8.462 1.00 0.00 H ATOM 744 N ILE A 180 13.178 29.767 4.848 1.00 10.44 N ATOM 745 CA ILE A 180 12.979 28.476 4.208 1.00 11.04 C ATOM 746 C ILE A 180 13.339 27.345 5.180 1.00 10.12 C ATOM 747 O ILE A 180 14.415 27.358 5.780 1.00 10.31 O ATOM 748 CB ILE A 180 13.782 28.369 2.884 1.00 14.22 C ATOM 749 CG1 ILE A 180 13.510 27.037 2.205 1.00 16.71 C ATOM 750 CG2 ILE A 180 15.265 28.528 3.104 1.00 15.56 C ATOM 751 CD1 ILE A 180 14.214 26.903 0.877 1.00 18.05 C ATOM 752 H ILE A 180 13.970 30.370 4.547 1.00 0.00 H ATOM 753 N LEU A 181 12.426 26.391 5.350 1.00 10.05 N ATOM 754 CA LEU A 181 12.619 25.288 6.289 1.00 9.61 C ATOM 755 C LEU A 181 13.197 24.056 5.610 1.00 8.47 C ATOM 756 O LEU A 181 13.834 23.216 6.251 1.00 8.37 O ATOM 757 CB LEU A 181 11.283 24.911 6.926 1.00 10.68 C ATOM 758 CG LEU A 181 10.537 26.073 7.570 1.00 11.67 C ATOM 759 CD1 LEU A 181 9.134 25.633 7.948 1.00 12.73 C ATOM 760 CD2 LEU A 181 11.332 26.567 8.774 1.00 12.39 C ATOM 761 H LEU A 181 11.547 26.432 4.796 1.00 0.00 H ATOM 762 N ALA A 182 12.959 23.953 4.310 1.00 8.08 N ATOM 763 CA ALA A 182 13.237 22.739 3.562 1.00 7.71 C ATOM 764 C ALA A 182 12.972 23.007 2.096 1.00 7.47 C ATOM 765 O ALA A 182 12.354 24.024 1.735 1.00 8.53 O ATOM 766 CB ALA A 182 12.352 21.585 4.059 1.00 8.82 C ATOM 767 H ALA A 182 12.559 24.771 3.807 1.00 0.00 H ATOM 768 N HIS A 183 13.403 22.095 1.244 1.00 8.38 N ATOM 769 CA HIS A 183 13.073 22.164 -0.163 1.00 8.39 C ATOM 770 C HIS A 183 13.228 20.762 -0.718 1.00 8.93 C ATOM 771 O HIS A 183 13.925 19.931 -0.143 1.00 10.15 O ATOM 772 CB HIS A 183 13.940 23.178 -0.915 1.00 9.21 C ATOM 773 CG HIS A 183 15.277 22.643 -1.315 1.00 9.25 C ATOM 774 ND1 HIS A 183 15.531 22.138 -2.570 1.00 10.18 N ATOM 775 CD2 HIS A 183 16.429 22.518 -0.618 1.00 10.14 C ATOM 776 CE1 HIS A 183 16.785 21.728 -2.632 1.00 10.14 C ATOM 777 NE2 HIS A 183 17.352 21.947 -1.460 1.00 9.77 N ATOM 778 H HIS A 183 13.992 21.311 1.591 1.00 0.00 H ATOM 779 N ALA A 184 12.562 20.494 -1.825 1.00 8.40 N ATOM 780 CA ALA A 184 12.595 19.155 -2.387 1.00 8.42 C ATOM 781 C ALA A 184 12.551 19.211 -3.900 1.00 9.50 C ATOM 782 O ALA A 184 11.933 20.098 -4.492 1.00 11.36 O ATOM 783 CB ALA A 184 11.438 18.293 -1.840 1.00 8.92 C ATOM 784 H ALA A 184 12.013 21.242 -2.295 1.00 0.00 H ATOM 785 N PHE A 185 13.208 18.247 -4.526 1.00 10.15 N ATOM 786 CA PHE A 185 13.194 18.149 -5.974 1.00 10.39 C ATOM 787 C PHE A 185 12.045 17.264 -6.434 1.00 10.99 C ATOM 788 O PHE A 185 11.729 16.251 -5.811 1.00 11.33 O ATOM 789 CB PHE A 185 14.522 17.600 -6.494 1.00 11.37 C ATOM 790 CG PHE A 185 15.708 18.458 -6.154 1.00 12.56 C ATOM 791 CD1 PHE A 185 16.106 19.475 -7.001 1.00 13.90 C ATOM 792 CD2 PHE A 185 16.416 18.254 -4.982 1.00 13.77 C ATOM 793 CE1 PHE A 185 17.197 20.272 -6.693 1.00 14.44 C ATOM 794 CE2 PHE A 185 17.509 19.042 -4.662 1.00 14.35 C ATOM 795 CZ PHE A 185 17.900 20.046 -5.520 1.00 14.77 C ATOM 796 H PHE A 185 13.743 17.549 -3.971 1.00 0.00 H ATOM 797 N GLY A 186 11.417 17.656 -7.534 1.00 11.31 N ATOM 798 CA GLY A 186 10.375 16.844 -8.115 1.00 11.69 C ATOM 799 C GLY A 186 10.957 15.559 -8.665 1.00 11.96 C ATOM 800 O GLY A 186 12.178 15.389 -8.759 1.00 12.50 O ATOM 801 H GLY A 186 11.678 18.557 -7.982 1.00 0.00 H ATOM 802 N PRO A 187 10.079 14.635 -9.039 1.00 12.30 N ATOM 803 CA PRO A 187 10.485 13.330 -9.552 1.00 12.28 C ATOM 804 C PRO A 187 11.521 13.418 -10.661 1.00 13.46 C ATOM 805 O PRO A 187 11.430 14.254 -11.568 1.00 14.52 O ATOM 806 CB PRO A 187 9.169 12.753 -10.065 1.00 13.36 C ATOM 807 CG PRO A 187 8.156 13.316 -9.119 1.00 13.77 C ATOM 808 CD PRO A 187 8.618 14.733 -8.883 1.00 12.76 C ATOM 809 N GLY A 188 12.518 12.549 -10.564 1.00 14.08 N ATOM 810 CA GLY A 188 13.619 12.524 -11.507 1.00 14.92 C ATOM 811 C GLY A 188 14.723 11.666 -10.930 1.00 15.73 C ATOM 812 O GLY A 188 14.662 11.292 -9.757 1.00 16.05 O ATOM 813 H GLY A 188 12.510 11.861 -9.784 1.00 0.00 H ATOM 814 N SER A 189 15.728 11.347 -11.739 1.00 16.33 N ATOM 815 CA SER A 189 16.845 10.537 -11.273 1.00 16.39 C ATOM 816 C SER A 189 17.824 11.387 -10.473 1.00 16.10 C ATOM 817 O SER A 189 17.743 12.617 -10.485 1.00 16.02 O ATOM 818 CB SER A 189 17.558 9.879 -12.454 1.00 17.77 C ATOM 819 OG SER A 189 17.903 10.842 -13.434 1.00 18.42 O ATOM 820 HG SER A 189 18.505 11.518 -13.033 1.00 0.00 H ATOM 821 H SER A 189 15.717 11.682 -12.723 1.00 0.00 H ATOM 822 N GLY A 190 18.742 10.727 -9.774 1.00 15.05 N ATOM 823 CA GLY A 190 19.769 11.422 -9.019 1.00 14.19 C ATOM 824 C GLY A 190 19.173 12.269 -7.918 1.00 13.54 C ATOM 825 O GLY A 190 18.457 11.764 -7.062 1.00 13.60 O ATOM 826 H GLY A 190 18.724 9.687 -9.768 1.00 0.00 H ATOM 827 N ILE A 191 19.458 13.563 -7.947 1.00 13.68 N ATOM 828 CA ILE A 191 18.953 14.462 -6.918 1.00 13.94 C ATOM 829 C ILE A 191 17.433 14.637 -7.020 1.00 12.66 C ATOM 830 O ILE A 191 16.780 15.093 -6.078 1.00 12.44 O ATOM 831 CB ILE A 191 19.683 15.814 -6.970 1.00 15.75 C ATOM 832 CG1 ILE A 191 19.632 16.511 -5.610 1.00 18.27 C ATOM 833 CG2 ILE A 191 19.126 16.689 -8.085 1.00 15.75 C ATOM 834 CD1 ILE A 191 20.616 17.651 -5.473 1.00 20.55 C ATOM 835 H ILE A 191 20.050 13.941 -8.714 1.00 0.00 H ATOM 836 N GLY A 192 16.867 14.240 -8.155 1.00 12.55 N ATOM 837 CA GLY A 192 15.427 14.250 -8.316 1.00 11.78 C ATOM 838 C GLY A 192 14.751 13.497 -7.191 1.00 11.25 C ATOM 839 O GLY A 192 15.239 12.452 -6.750 1.00 11.97 O ATOM 840 H GLY A 192 17.467 13.917 -8.940 1.00 0.00 H ATOM 841 N GLY A 193 13.632 14.031 -6.715 1.00 10.58 N ATOM 842 CA GLY A 193 12.891 13.410 -5.636 1.00 10.57 C ATOM 843 C GLY A 193 13.430 13.728 -4.250 1.00 10.54 C ATOM 844 O GLY A 193 12.717 13.565 -3.263 1.00 11.28 O ATOM 845 H GLY A 193 13.279 14.918 -7.127 1.00 0.00 H ATOM 846 N ASP A 194 14.683 14.175 -4.160 1.00 9.99 N ATOM 847 CA ASP A 194 15.314 14.284 -2.846 1.00 9.72 C ATOM 848 C ASP A 194 14.735 15.436 -2.030 1.00 9.92 C ATOM 849 O ASP A 194 14.365 16.483 -2.577 1.00 11.23 O ATOM 850 CB ASP A 194 16.821 14.429 -2.966 1.00 10.15 C ATOM 851 CG ASP A 194 17.483 13.202 -3.582 1.00 9.98 C ATOM 852 OD1 ASP A 194 18.717 13.260 -3.733 1.00 10.70 O ATOM 853 OD2 ASP A 194 16.789 12.199 -3.906 1.00 11.07 O ATOM 854 H ASP A 194 15.207 14.444 -5.017 1.00 0.00 H ATOM 855 N ALA A 195 14.641 15.225 -0.718 1.00 8.95 N ATOM 856 CA ALA A 195 14.027 16.190 0.181 1.00 8.76 C ATOM 857 C ALA A 195 15.079 16.643 1.174 1.00 8.43 C ATOM 858 O ALA A 195 15.668 15.822 1.884 1.00 8.90 O ATOM 859 CB ALA A 195 12.841 15.571 0.897 1.00 9.64 C ATOM 860 H ALA A 195 15.019 14.340 -0.323 1.00 0.00 H ATOM 861 N HIS A 196 15.323 17.948 1.205 1.00 8.45 N ATOM 862 CA HIS A 196 16.373 18.520 2.030 1.00 8.22 C ATOM 863 C HIS A 196 15.765 19.379 3.120 1.00 7.92 C ATOM 864 O HIS A 196 14.911 20.225 2.845 1.00 8.41 O ATOM 865 CB HIS A 196 17.287 19.386 1.181 1.00 9.07 C ATOM 866 CG HIS A 196 18.087 18.620 0.178 1.00 8.72 C ATOM 867 ND1 HIS A 196 18.919 19.233 -0.737 1.00 9.26 N ATOM 868 CD2 HIS A 196 18.184 17.289 -0.053 1.00 9.66 C ATOM 869 CE1 HIS A 196 19.501 18.307 -1.482 1.00 10.07 C ATOM 870 NE2 HIS A 196 19.071 17.121 -1.087 1.00 9.72 N ATOM 871 H HIS A 196 14.743 18.582 0.619 1.00 0.00 H ATOM 872 N PHE A 197 16.217 19.172 4.346 1.00 7.72 N ATOM 873 CA PHE A 197 15.698 19.892 5.496 1.00 7.45 C ATOM 874 C PHE A 197 16.802 20.751 6.097 1.00 7.53 C ATOM 875 O PHE A 197 17.938 20.295 6.258 1.00 8.01 O ATOM 876 CB PHE A 197 15.157 18.895 6.526 1.00 7.83 C ATOM 877 CG PHE A 197 14.016 18.060 6.006 1.00 8.61 C ATOM 878 CD1 PHE A 197 12.701 18.397 6.292 1.00 9.35 C ATOM 879 CD2 PHE A 197 14.256 16.962 5.187 1.00 9.14 C ATOM 880 CE1 PHE A 197 11.649 17.641 5.795 1.00 9.21 C ATOM 881 CE2 PHE A 197 13.205 16.210 4.688 1.00 9.20 C ATOM 882 CZ PHE A 197 11.901 16.551 4.991 1.00 9.67 C ATOM 883 H PHE A 197 16.970 18.470 4.492 1.00 0.00 H ATOM 884 N ASP A 198 16.476 22.002 6.405 1.00 7.34 N ATOM 885 CA ASP A 198 17.458 22.963 6.882 1.00 8.09 C ATOM 886 C ASP A 198 17.816 22.652 8.333 1.00 7.78 C ATOM 887 O ASP A 198 16.988 22.803 9.237 1.00 8.95 O ATOM 888 CB ASP A 198 16.860 24.360 6.750 1.00 8.38 C ATOM 889 CG ASP A 198 17.844 25.482 7.072 1.00 8.44 C ATOM 890 OD1 ASP A 198 17.479 26.650 6.814 1.00 9.21 O ATOM 891 OD2 ASP A 198 18.946 25.210 7.580 1.00 9.18 O ATOM 892 H ASP A 198 15.486 22.304 6.302 1.00 0.00 H ATOM 893 N GLU A 199 19.061 22.239 8.562 1.00 8.22 N ATOM 894 CA GLU A 199 19.484 21.882 9.907 1.00 9.24 C ATOM 895 C GLU A 199 19.515 23.075 10.845 1.00 9.73 C ATOM 896 O GLU A 199 19.542 22.903 12.065 1.00 10.29 O ATOM 897 CB GLU A 199 20.854 21.211 9.886 1.00 9.65 C ATOM 898 CG GLU A 199 21.253 20.608 11.228 1.00 10.68 C ATOM 899 CD GLU A 199 20.228 19.604 11.712 1.00 11.67 C ATOM 900 OE1 GLU A 199 20.231 18.484 11.179 1.00 12.12 O ATOM 901 OE2 GLU A 199 19.415 19.938 12.601 1.00 12.22 O ATOM 902 H GLU A 199 19.736 22.171 7.773 1.00 0.00 H ATOM 903 N ASP A 200 19.497 24.287 10.296 1.00 10.21 N ATOM 904 CA ASP A 200 19.442 25.449 11.166 1.00 10.95 C ATOM 905 C ASP A 200 18.068 25.643 11.816 1.00 10.77 C ATOM 906 O ASP A 200 17.923 26.477 12.703 1.00 12.07 O ATOM 907 CB ASP A 200 19.935 26.716 10.470 1.00 11.40 C ATOM 908 CG ASP A 200 21.452 26.743 10.326 1.00 13.08 C ATOM 909 OD1 ASP A 200 21.940 27.369 9.378 1.00 13.19 O ATOM 910 OD2 ASP A 200 22.148 26.132 11.163 1.00 15.38 O ATOM 911 H ASP A 200 19.522 24.400 9.262 1.00 0.00 H ATOM 912 N GLU A 201 17.076 24.857 11.403 1.00 10.65 N ATOM 913 CA GLU A 201 15.831 24.809 12.155 1.00 10.59 C ATOM 914 C GLU A 201 15.997 23.876 13.338 1.00 11.07 C ATOM 915 O GLU A 201 16.935 23.073 13.378 1.00 12.01 O ATOM 916 CB GLU A 201 14.668 24.322 11.298 1.00 11.05 C ATOM 917 CG GLU A 201 14.598 24.942 9.916 1.00 11.51 C ATOM 918 CD GLU A 201 14.659 26.463 9.921 1.00 13.40 C ATOM 919 OE1 GLU A 201 14.296 27.104 10.930 1.00 14.70 O ATOM 920 OE2 GLU A 201 15.066 27.008 8.889 1.00 14.57 O ATOM 921 H GLU A 201 17.190 24.279 10.546 1.00 0.00 H ATOM 922 N PHE A 202 15.092 23.979 14.305 1.00 10.94 N ATOM 923 CA PHE A 202 15.073 23.025 15.399 1.00 11.30 C ATOM 924 C PHE A 202 13.913 22.073 15.162 1.00 11.26 C ATOM 925 O PHE A 202 12.755 22.431 15.392 1.00 12.48 O ATOM 926 CB PHE A 202 14.933 23.716 16.759 1.00 13.15 C ATOM 927 CG PHE A 202 15.039 22.763 17.920 1.00 15.35 C ATOM 928 CD1 PHE A 202 16.232 22.116 18.187 1.00 17.13 C ATOM 929 CD2 PHE A 202 13.947 22.503 18.729 1.00 18.18 C ATOM 930 CE1 PHE A 202 16.341 21.233 19.244 1.00 19.14 C ATOM 931 CE2 PHE A 202 14.047 21.614 19.792 1.00 19.45 C ATOM 932 CZ PHE A 202 15.246 20.981 20.045 1.00 20.21 C ATOM 933 H PHE A 202 14.393 24.748 14.278 1.00 0.00 H ATOM 934 N TRP A 203 14.234 20.879 14.673 1.00 10.82 N ATOM 935 CA TRP A 203 13.248 19.874 14.308 1.00 10.49 C ATOM 936 C TRP A 203 12.697 19.171 15.525 1.00 10.89 C ATOM 937 O TRP A 203 13.450 18.760 16.408 1.00 12.10 O ATOM 938 CB TRP A 203 13.860 18.869 13.323 1.00 9.77 C ATOM 939 CG TRP A 203 14.328 19.588 12.105 1.00 9.72 C ATOM 940 CD1 TRP A 203 15.614 19.934 11.788 1.00 9.87 C ATOM 941 CD2 TRP A 203 13.497 20.123 11.071 1.00 9.28 C ATOM 942 NE1 TRP A 203 15.633 20.629 10.598 1.00 9.68 N ATOM 943 CE2 TRP A 203 14.343 20.768 10.142 1.00 9.40 C ATOM 944 CE3 TRP A 203 12.114 20.113 10.841 1.00 9.86 C ATOM 945 CZ2 TRP A 203 13.848 21.404 8.996 1.00 9.11 C ATOM 946 CZ3 TRP A 203 11.623 20.737 9.704 1.00 9.41 C ATOM 947 CH2 TRP A 203 12.491 21.382 8.798 1.00 9.55 C ATOM 948 HE1 TRP A 203 16.485 20.990 10.122 1.00 0.00 H ATOM 949 H TRP A 203 15.241 20.652 14.545 1.00 0.00 H ATOM 950 N THR A 204 11.378 19.030 15.575 1.00 11.68 N ATOM 951 CA THR A 204 10.754 18.370 16.715 1.00 12.35 C ATOM 952 C THR A 204 9.639 17.404 16.333 1.00 12.43 C ATOM 953 O THR A 204 9.173 17.367 15.191 1.00 12.91 O ATOM 954 CB THR A 204 10.130 19.387 17.696 1.00 13.78 C ATOM 955 OG1 THR A 204 8.900 19.868 17.148 1.00 15.92 O ATOM 956 CG2 THR A 204 11.061 20.560 17.980 1.00 12.46 C ATOM 957 HG1 THR A 204 8.495 20.521 17.772 1.00 0.00 H ATOM 958 H THR A 204 10.788 19.392 14.798 1.00 0.00 H ATOM 959 N THR A 205 9.199 16.640 17.324 1.00 12.31 N ATOM 960 CA THR A 205 8.054 15.755 17.185 1.00 13.18 C ATOM 961 C THR A 205 6.766 16.419 17.666 1.00 14.73 C ATOM 962 O THR A 205 5.727 15.769 17.753 1.00 17.26 O ATOM 963 CB THR A 205 8.240 14.529 18.070 1.00 13.81 C ATOM 964 OG1 THR A 205 8.258 14.958 19.437 1.00 14.41 O ATOM 965 CG2 THR A 205 9.542 13.825 17.752 1.00 13.87 C ATOM 966 HG1 THR A 205 7.402 15.406 19.652 1.00 0.00 H ATOM 967 H THR A 205 9.694 16.676 18.238 1.00 0.00 H ATOM 968 N HIS A 206 6.831 17.706 17.992 1.00 14.58 N ATOM 969 CA HIS A 206 5.729 18.373 18.682 1.00 15.37 C ATOM 970 C HIS A 206 5.490 19.789 18.160 1.00 15.74 C ATOM 971 O HIS A 206 5.849 20.101 17.023 1.00 15.36 O ATOM 972 CB HIS A 206 5.982 18.373 20.200 1.00 16.15 C ATOM 973 CG HIS A 206 7.325 18.911 20.596 1.00 17.37 C ATOM 974 ND1 HIS A 206 7.521 20.224 20.970 1.00 19.71 N ATOM 975 CD2 HIS A 206 8.535 18.311 20.685 1.00 17.87 C ATOM 976 CE1 HIS A 206 8.795 20.410 21.269 1.00 20.26 C ATOM 977 NE2 HIS A 206 9.432 19.265 21.103 1.00 19.85 N ATOM 978 H HIS A 206 7.684 18.250 17.751 1.00 0.00 H ATOM 979 N SER A 207 4.879 20.636 18.985 1.00 16.82 N ATOM 980 CA SER A 207 4.491 21.976 18.551 1.00 18.26 C ATOM 981 C SER A 207 5.643 22.972 18.602 1.00 18.51 C ATOM 982 O SER A 207 5.586 24.019 17.959 1.00 19.61 O ATOM 983 CB SER A 207 3.322 22.505 19.389 1.00 20.17 C ATOM 984 OG SER A 207 3.699 22.687 20.742 1.00 21.44 O ATOM 985 HG SER A 207 3.992 21.821 21.121 1.00 0.00 H ATOM 986 H SER A 207 4.673 20.338 19.960 1.00 0.00 H ATOM 987 N GLY A 208 6.677 22.659 19.377 1.00 18.35 N ATOM 988 CA GLY A 208 7.835 23.532 19.477 1.00 18.03 C ATOM 989 C GLY A 208 8.686 23.445 18.228 1.00 17.72 C ATOM 990 O GLY A 208 8.562 22.492 17.464 1.00 17.49 O ATOM 991 H GLY A 208 6.657 21.773 19.922 1.00 0.00 H ATOM 992 N GLY A 209 9.544 24.437 18.015 1.00 17.33 N ATOM 993 CA GLY A 209 10.423 24.445 16.856 1.00 15.60 C ATOM 994 C GLY A 209 9.667 24.259 15.553 1.00 14.70 C ATOM 995 O GLY A 209 8.625 24.875 15.337 1.00 16.13 O ATOM 996 H GLY A 209 9.588 25.225 18.692 1.00 0.00 H ATOM 997 N THR A 210 10.195 23.402 14.686 1.00 12.18 N ATOM 998 CA THR A 210 9.531 23.072 13.436 1.00 11.78 C ATOM 999 C THR A 210 9.210 21.582 13.428 1.00 11.09 C ATOM 1000 O THR A 210 10.102 20.740 13.585 1.00 11.91 O ATOM 1001 CB THR A 210 10.407 23.430 12.227 1.00 11.82 C ATOM 1002 OG1 THR A 210 10.840 24.783 12.360 1.00 13.09 O ATOM 1003 CG2 THR A 210 9.614 23.278 10.929 1.00 13.07 C ATOM 1004 HG1 THR A 210 10.050 25.379 12.392 1.00 0.00 H ATOM 1005 H THR A 210 11.108 22.955 14.908 1.00 0.00 H ATOM 1006 N ASN A 211 7.936 21.252 13.265 1.00 10.88 N ATOM 1007 CA ASN A 211 7.510 19.867 13.315 1.00 10.66 C ATOM 1008 C ASN A 211 7.985 19.117 12.081 1.00 10.46 C ATOM 1009 O ASN A 211 7.611 19.464 10.961 1.00 11.67 O ATOM 1010 CB ASN A 211 5.990 19.804 13.417 1.00 12.27 C ATOM 1011 CG ASN A 211 5.493 18.403 13.633 1.00 12.63 C ATOM 1012 OD1 ASN A 211 5.152 17.705 12.681 1.00 13.39 O ATOM 1013 ND2 ASN A 211 5.466 17.969 14.890 1.00 13.79 N ATOM 1014 HD22 ASN A 211 5.764 18.597 15.663 1.00 0.00 H ATOM 1015 HD21 ASN A 211 5.146 17.002 15.099 1.00 0.00 H ATOM 1016 H ASN A 211 7.231 21.998 13.099 1.00 0.00 H ATOM 1017 N LEU A 212 8.820 18.099 12.285 1.00 9.48 N ATOM 1018 CA LEU A 212 9.409 17.379 11.162 1.00 9.64 C ATOM 1019 C LEU A 212 8.350 16.663 10.325 1.00 9.45 C ATOM 1020 O LEU A 212 8.396 16.712 9.093 1.00 9.90 O ATOM 1021 CB LEU A 212 10.469 16.385 11.633 1.00 9.91 C ATOM 1022 CG LEU A 212 11.140 15.578 10.523 1.00 10.41 C ATOM 1023 CD1 LEU A 212 11.875 16.485 9.542 1.00 11.30 C ATOM 1024 CD2 LEU A 212 12.090 14.558 11.116 1.00 11.30 C ATOM 1025 H LEU A 212 9.055 17.814 13.257 1.00 0.00 H ATOM 1026 N PHE A 213 7.400 16.001 10.982 1.00 10.01 N ATOM 1027 CA PHE A 213 6.342 15.294 10.272 1.00 9.56 C ATOM 1028 C PHE A 213 5.607 16.197 9.289 1.00 9.07 C ATOM 1029 O PHE A 213 5.489 15.849 8.116 1.00 8.93 O ATOM 1030 CB PHE A 213 5.355 14.665 11.264 1.00 10.50 C ATOM 1031 CG PHE A 213 4.053 14.214 10.640 1.00 10.23 C ATOM 1032 CD1 PHE A 213 2.894 14.959 10.807 1.00 10.77 C ATOM 1033 CD2 PHE A 213 3.987 13.048 9.890 1.00 9.62 C ATOM 1034 CE1 PHE A 213 1.701 14.555 10.240 1.00 11.54 C ATOM 1035 CE2 PHE A 213 2.780 12.640 9.323 1.00 9.68 C ATOM 1036 CZ PHE A 213 1.642 13.397 9.498 1.00 10.82 C ATOM 1037 H PHE A 213 7.413 15.988 12.022 1.00 0.00 H ATOM 1038 N LEU A 214 5.131 17.354 9.753 1.00 9.85 N ATOM 1039 CA LEU A 214 4.342 18.230 8.897 1.00 9.75 C ATOM 1040 C LEU A 214 5.182 18.744 7.740 1.00 9.68 C ATOM 1041 O LEU A 214 4.716 18.800 6.600 1.00 10.34 O ATOM 1042 CB LEU A 214 3.780 19.411 9.684 1.00 11.48 C ATOM 1043 CG LEU A 214 2.692 19.046 10.685 1.00 13.59 C ATOM 1044 CD1 LEU A 214 2.325 20.274 11.498 1.00 14.52 C ATOM 1045 CD2 LEU A 214 1.477 18.477 9.965 1.00 15.50 C ATOM 1046 H LEU A 214 5.325 17.633 10.736 1.00 0.00 H ATOM 1047 N THR A 215 6.420 19.129 8.035 1.00 9.09 N ATOM 1048 CA THR A 215 7.310 19.621 6.991 1.00 8.99 C ATOM 1049 C THR A 215 7.592 18.515 5.980 1.00 8.55 C ATOM 1050 O THR A 215 7.619 18.753 4.766 1.00 9.29 O ATOM 1051 CB THR A 215 8.606 20.156 7.588 1.00 9.95 C ATOM 1052 OG1 THR A 215 8.290 21.171 8.548 1.00 11.71 O ATOM 1053 CG2 THR A 215 9.512 20.758 6.503 1.00 9.02 C ATOM 1054 HG1 THR A 215 7.726 20.783 9.263 1.00 0.00 H ATOM 1055 H THR A 215 6.756 19.079 9.018 1.00 0.00 H ATOM 1056 N ALA A 216 7.777 17.296 6.480 1.00 8.05 N ATOM 1057 CA ALA A 216 8.031 16.161 5.603 1.00 8.53 C ATOM 1058 C ALA A 216 6.830 15.859 4.709 1.00 7.99 C ATOM 1059 O ALA A 216 6.993 15.522 3.537 1.00 8.48 O ATOM 1060 CB ALA A 216 8.449 14.939 6.401 1.00 9.27 C ATOM 1061 H ALA A 216 7.740 17.152 7.509 1.00 0.00 H ATOM 1062 N VAL A 217 5.619 15.985 5.243 1.00 8.55 N ATOM 1063 CA VAL A 217 4.454 15.754 4.397 1.00 8.69 C ATOM 1064 C VAL A 217 4.462 16.741 3.231 1.00 7.84 C ATOM 1065 O VAL A 217 4.272 16.369 2.080 1.00 8.17 O ATOM 1066 CB VAL A 217 3.129 15.848 5.172 1.00 8.84 C ATOM 1067 CG1 VAL A 217 1.929 15.803 4.213 1.00 9.43 C ATOM 1068 CG2 VAL A 217 3.035 14.718 6.202 1.00 8.70 C ATOM 1069 H VAL A 217 5.505 16.243 6.244 1.00 0.00 H ATOM 1070 N HIS A 218 4.729 18.007 3.530 1.00 8.12 N ATOM 1071 CA HIS A 218 4.763 19.037 2.503 1.00 8.10 C ATOM 1072 C HIS A 218 5.870 18.742 1.486 1.00 6.78 C ATOM 1073 O HIS A 218 5.640 18.769 0.277 1.00 7.50 O ATOM 1074 CB HIS A 218 4.971 20.401 3.156 1.00 8.41 C ATOM 1075 CG HIS A 218 5.012 21.547 2.192 1.00 8.45 C ATOM 1076 ND1 HIS A 218 3.929 22.371 1.980 1.00 8.55 N ATOM 1077 CD2 HIS A 218 5.997 22.005 1.385 1.00 8.68 C ATOM 1078 CE1 HIS A 218 4.249 23.292 1.089 1.00 8.52 C ATOM 1079 NE2 HIS A 218 5.498 23.093 0.712 1.00 8.34 N ATOM 1080 H HIS A 218 4.918 18.268 4.519 1.00 0.00 H ATOM 1081 N GLU A 219 7.064 18.460 1.996 1.00 7.64 N ATOM 1082 CA GLU A 219 8.217 18.170 1.153 1.00 7.99 C ATOM 1083 C GLU A 219 7.966 16.965 0.254 1.00 7.99 C ATOM 1084 O GLU A 219 8.229 17.014 -0.948 1.00 8.52 O ATOM 1085 CB GLU A 219 9.462 17.936 2.010 1.00 8.15 C ATOM 1086 CG GLU A 219 10.119 19.211 2.512 1.00 9.54 C ATOM 1087 CD GLU A 219 10.032 20.345 1.510 1.00 12.31 C ATOM 1088 OE1 GLU A 219 10.425 20.140 0.342 1.00 14.91 O ATOM 1089 OE2 GLU A 219 9.571 21.442 1.889 1.00 13.57 O ATOM 1090 H GLU A 219 7.180 18.446 3.029 1.00 0.00 H ATOM 1091 N ILE A 220 7.461 15.882 0.837 1.00 8.21 N ATOM 1092 CA ILE A 220 7.205 14.671 0.070 1.00 8.48 C ATOM 1093 C ILE A 220 6.164 14.968 -1.014 1.00 8.47 C ATOM 1094 O ILE A 220 6.259 14.462 -2.136 1.00 8.86 O ATOM 1095 CB ILE A 220 6.793 13.500 0.970 1.00 9.15 C ATOM 1096 CG1 ILE A 220 7.984 13.076 1.820 1.00 9.54 C ATOM 1097 CG2 ILE A 220 6.300 12.318 0.144 1.00 9.51 C ATOM 1098 CD1 ILE A 220 7.611 12.196 2.983 1.00 9.97 C ATOM 1099 H ILE A 220 7.246 15.900 1.854 1.00 0.00 H ATOM 1100 N GLY A 221 5.203 15.840 -0.705 1.00 8.40 N ATOM 1101 CA GLY A 221 4.284 16.304 -1.724 1.00 9.03 C ATOM 1102 C GLY A 221 5.045 16.824 -2.939 1.00 8.54 C ATOM 1103 O GLY A 221 4.771 16.435 -4.077 1.00 8.60 O ATOM 1104 H GLY A 221 5.113 16.188 0.271 1.00 0.00 H ATOM 1105 N HIS A 222 6.033 17.684 -2.704 1.00 8.88 N ATOM 1106 CA HIS A 222 6.875 18.164 -3.796 1.00 8.84 C ATOM 1107 C HIS A 222 7.680 17.042 -4.466 1.00 7.85 C ATOM 1108 O HIS A 222 7.803 17.014 -5.688 1.00 8.88 O ATOM 1109 CB HIS A 222 7.848 19.232 -3.310 1.00 9.09 C ATOM 1110 CG HIS A 222 7.216 20.551 -2.994 1.00 9.56 C ATOM 1111 ND1 HIS A 222 6.267 21.149 -3.795 1.00 11.27 N ATOM 1112 CD2 HIS A 222 7.408 21.384 -1.946 1.00 9.13 C ATOM 1113 CE1 HIS A 222 5.921 22.314 -3.263 1.00 10.94 C ATOM 1114 NE2 HIS A 222 6.598 22.478 -2.142 1.00 9.23 N ATOM 1115 H HIS A 222 6.207 18.017 -1.734 1.00 0.00 H ATOM 1116 N SER A 223 8.228 16.131 -3.660 1.00 7.98 N ATOM 1117 CA SER A 223 8.970 14.975 -4.169 1.00 8.89 C ATOM 1118 C SER A 223 8.121 14.095 -5.077 1.00 8.74 C ATOM 1119 O SER A 223 8.665 13.332 -5.872 1.00 10.02 O ATOM 1120 CB SER A 223 9.511 14.117 -3.022 1.00 9.53 C ATOM 1121 OG SER A 223 10.468 14.813 -2.254 1.00 11.11 O ATOM 1122 HG SER A 223 11.228 15.074 -2.833 1.00 0.00 H ATOM 1123 H SER A 223 8.125 16.246 -2.632 1.00 0.00 H ATOM 1124 N LEU A 224 6.794 14.175 -4.933 1.00 8.00 N ATOM 1125 CA LEU A 224 5.865 13.405 -5.770 1.00 7.92 C ATOM 1126 C LEU A 224 5.322 14.200 -6.952 1.00 9.37 C ATOM 1127 O LEU A 224 4.602 13.649 -7.789 1.00 10.88 O ATOM 1128 CB LEU A 224 4.703 12.839 -4.947 1.00 8.81 C ATOM 1129 CG LEU A 224 5.106 11.934 -3.779 1.00 8.57 C ATOM 1130 CD1 LEU A 224 3.870 11.506 -3.018 1.00 9.12 C ATOM 1131 CD2 LEU A 224 5.876 10.708 -4.256 1.00 9.20 C ATOM 1132 H LEU A 224 6.406 14.805 -4.202 1.00 0.00 H ATOM 1133 N GLY A 225 5.646 15.490 -7.007 1.00 9.86 N ATOM 1134 CA GLY A 225 5.264 16.319 -8.139 1.00 10.48 C ATOM 1135 C GLY A 225 4.209 17.378 -7.865 1.00 10.69 C ATOM 1136 O GLY A 225 3.820 18.116 -8.778 1.00 12.30 O ATOM 1137 H GLY A 225 6.184 15.914 -6.224 1.00 0.00 H ATOM 1138 N LEU A 226 3.746 17.485 -6.621 1.00 9.85 N ATOM 1139 CA LEU A 226 2.756 18.512 -6.278 1.00 10.59 C ATOM 1140 C LEU A 226 3.359 19.907 -6.226 1.00 11.75 C ATOM 1141 O LEU A 226 4.523 20.081 -5.843 1.00 12.88 O ATOM 1142 CB LEU A 226 2.122 18.225 -4.927 1.00 12.43 C ATOM 1143 CG LEU A 226 1.193 17.031 -4.876 1.00 13.89 C ATOM 1144 CD1 LEU A 226 0.709 16.856 -3.453 1.00 13.91 C ATOM 1145 CD2 LEU A 226 0.011 17.212 -5.824 1.00 15.15 C ATOM 1146 H LEU A 226 4.089 16.835 -5.886 1.00 0.00 H ATOM 1147 N GLY A 227 2.558 20.894 -6.615 1.00 12.64 N ATOM 1148 CA GLY A 227 2.877 22.289 -6.385 1.00 13.09 C ATOM 1149 C GLY A 227 2.098 22.789 -5.182 1.00 13.09 C ATOM 1150 O GLY A 227 1.591 22.000 -4.381 1.00 14.73 O ATOM 1151 H GLY A 227 1.670 20.657 -7.102 1.00 0.00 H ATOM 1152 N HIS A 228 1.988 24.101 -5.044 1.00 13.01 N ATOM 1153 CA HIS A 228 1.299 24.664 -3.890 1.00 12.69 C ATOM 1154 C HIS A 228 -0.201 24.808 -4.044 1.00 13.76 C ATOM 1155 O HIS A 228 -0.731 24.867 -5.161 1.00 15.94 O ATOM 1156 CB HIS A 228 1.910 26.002 -3.514 1.00 11.90 C ATOM 1157 CG HIS A 228 3.253 25.875 -2.879 1.00 11.23 C ATOM 1158 ND1 HIS A 228 4.265 26.791 -3.065 1.00 11.36 N ATOM 1159 CD2 HIS A 228 3.760 24.914 -2.075 1.00 10.17 C ATOM 1160 CE1 HIS A 228 5.331 26.411 -2.384 1.00 10.90 C ATOM 1161 NE2 HIS A 228 5.051 25.272 -1.775 1.00 10.28 N ATOM 1162 H HIS A 228 2.395 24.733 -5.763 1.00 0.00 H ATOM 1163 N SER A 229 -0.866 24.862 -2.894 1.00 13.70 N ATOM 1164 CA SER A 229 -2.309 25.022 -2.807 1.00 13.56 C ATOM 1165 C SER A 229 -2.666 26.428 -2.336 1.00 14.61 C ATOM 1166 O SER A 229 -1.880 27.077 -1.652 1.00 15.02 O ATOM 1167 CB SER A 229 -2.868 24.019 -1.805 1.00 13.95 C ATOM 1168 OG SER A 229 -4.262 24.197 -1.618 1.00 14.09 O ATOM 1169 HG SER A 229 -4.728 24.072 -2.482 1.00 0.00 H ATOM 1170 H SER A 229 -0.325 24.786 -2.009 1.00 0.00 H ATOM 1171 N SER A 230 -3.864 26.881 -2.690 1.00 15.06 N ATOM 1172 CA SER A 230 -4.371 28.166 -2.219 1.00 15.35 C ATOM 1173 C SER A 230 -5.263 27.988 -0.991 1.00 15.35 C ATOM 1174 O SER A 230 -5.724 28.964 -0.402 1.00 16.42 O ATOM 1175 CB SER A 230 -5.154 28.870 -3.326 1.00 16.67 C ATOM 1176 OG SER A 230 -6.306 28.126 -3.673 1.00 18.46 O ATOM 1177 HG SER A 230 -6.034 27.229 -3.993 1.00 0.00 H ATOM 1178 H SER A 230 -4.457 26.304 -3.320 1.00 0.00 H ATOM 1179 N ASP A 231 -5.522 26.738 -0.624 1.00 14.94 N ATOM 1180 CA ASP A 231 -6.313 26.425 0.564 1.00 15.35 C ATOM 1181 C ASP A 231 -5.449 26.559 1.813 1.00 14.67 C ATOM 1182 O ASP A 231 -4.495 25.807 1.977 1.00 14.33 O ATOM 1183 CB ASP A 231 -6.860 24.992 0.448 1.00 17.81 C ATOM 1184 CG ASP A 231 -7.650 24.537 1.679 1.00 21.54 C ATOM 1185 OD1 ASP A 231 -7.913 25.340 2.596 1.00 23.15 O ATOM 1186 OD2 ASP A 231 -8.020 23.340 1.724 1.00 25.04 O ATOM 1187 H ASP A 231 -5.150 25.957 -1.201 1.00 0.00 H ATOM 1188 N PRO A 232 -5.795 27.493 2.715 1.00 15.37 N ATOM 1189 CA PRO A 232 -4.998 27.723 3.926 1.00 16.61 C ATOM 1190 C PRO A 232 -4.917 26.519 4.867 1.00 17.69 C ATOM 1191 O PRO A 232 -4.060 26.485 5.745 1.00 19.23 O ATOM 1192 CB PRO A 232 -5.731 28.881 4.618 1.00 17.75 C ATOM 1193 CG PRO A 232 -6.540 29.511 3.564 1.00 17.68 C ATOM 1194 CD PRO A 232 -6.932 28.427 2.624 1.00 16.63 C ATOM 1195 N LYS A 233 -5.795 25.542 4.679 1.00 18.61 N ATOM 1196 CA LYS A 233 -5.777 24.348 5.512 1.00 19.34 C ATOM 1197 C LYS A 233 -5.158 23.141 4.796 1.00 17.76 C ATOM 1198 O LYS A 233 -5.088 22.047 5.359 1.00 18.82 O ATOM 1199 CB LYS A 233 -7.178 24.034 6.040 1.00 21.65 C ATOM 1200 CG LYS A 233 -7.678 25.047 7.069 1.00 23.70 C ATOM 1201 CD LYS A 233 -9.061 24.691 7.592 1.00 25.47 C ATOM 1202 CE LYS A 233 -9.427 25.532 8.809 1.00 25.82 C ATOM 1203 NZ LYS A 233 -8.612 25.164 10.001 1.00 25.61 N ATOM 1204 HZ1 LYS A 233 -8.773 24.163 10.234 1.00 0.00 H ATOM 1205 HZ2 LYS A 233 -7.605 25.314 9.790 1.00 0.00 H ATOM 1206 HZ3 LYS A 233 -8.891 25.759 10.807 1.00 0.00 H ATOM 1207 H LYS A 233 -6.506 25.630 3.926 1.00 0.00 H ATOM 1208 N ALA A 234 -4.703 23.347 3.561 1.00 15.34 N ATOM 1209 CA ALA A 234 -3.998 22.294 2.820 1.00 13.54 C ATOM 1210 C ALA A 234 -2.536 22.209 3.246 1.00 12.49 C ATOM 1211 O ALA A 234 -1.873 23.225 3.430 1.00 13.07 O ATOM 1212 CB ALA A 234 -4.088 22.525 1.321 1.00 14.38 C ATOM 1213 H ALA A 234 -4.850 24.274 3.112 1.00 0.00 H ATOM 1214 N VAL A 235 -2.020 20.992 3.377 1.00 11.26 N ATOM 1215 CA VAL A 235 -0.620 20.815 3.726 1.00 10.79 C ATOM 1216 C VAL A 235 0.306 21.388 2.641 1.00 10.00 C ATOM 1217 O VAL A 235 1.451 21.736 2.926 1.00 10.86 O ATOM 1218 CB VAL A 235 -0.298 19.332 4.016 1.00 11.19 C ATOM 1219 CG1 VAL A 235 -0.177 18.531 2.730 1.00 11.51 C ATOM 1220 CG2 VAL A 235 0.961 19.220 4.839 1.00 12.07 C ATOM 1221 H VAL A 235 -2.623 20.158 3.228 1.00 0.00 H ATOM 1222 N MET A 236 -0.190 21.502 1.410 1.00 9.52 N ATOM 1223 CA MET A 236 0.589 22.101 0.326 1.00 9.87 C ATOM 1224 C MET A 236 0.442 23.625 0.225 1.00 10.26 C ATOM 1225 O MET A 236 0.935 24.238 -0.727 1.00 10.47 O ATOM 1226 CB MET A 236 0.284 21.444 -1.017 1.00 9.04 C ATOM 1227 CG MET A 236 0.643 19.947 -1.067 1.00 8.85 C ATOM 1228 SD MET A 236 2.305 19.538 -0.478 1.00 11.30 S ATOM 1229 CE MET A 236 3.360 20.494 -1.564 1.00 10.93 C ATOM 1230 H MET A 236 -1.152 21.158 1.215 1.00 0.00 H ATOM 1231 N PHE A 237 -0.207 24.241 1.206 1.00 10.31 N ATOM 1232 CA PHE A 237 -0.149 25.698 1.311 1.00 9.97 C ATOM 1233 C PHE A 237 1.328 26.081 1.488 1.00 10.15 C ATOM 1234 O PHE A 237 2.085 25.322 2.089 1.00 10.36 O ATOM 1235 CB PHE A 237 -0.979 26.163 2.497 1.00 10.79 C ATOM 1236 CG PHE A 237 -1.221 27.644 2.515 1.00 11.71 C ATOM 1237 CD1 PHE A 237 -2.135 28.212 1.642 1.00 11.70 C ATOM 1238 CD2 PHE A 237 -0.514 28.467 3.371 1.00 12.09 C ATOM 1239 CE1 PHE A 237 -2.360 29.565 1.639 1.00 12.05 C ATOM 1240 CE2 PHE A 237 -0.741 29.838 3.373 1.00 13.04 C ATOM 1241 CZ PHE A 237 -1.662 30.373 2.501 1.00 12.76 C ATOM 1242 H PHE A 237 -0.754 23.689 1.897 1.00 0.00 H ATOM 1243 N PRO A 238 1.768 27.232 0.938 1.00 10.52 N ATOM 1244 CA PRO A 238 3.213 27.517 0.904 1.00 10.36 C ATOM 1245 C PRO A 238 3.897 27.698 2.262 1.00 11.27 C ATOM 1246 O PRO A 238 5.104 27.453 2.359 1.00 12.70 O ATOM 1247 CB PRO A 238 3.297 28.836 0.127 1.00 11.83 C ATOM 1248 CG PRO A 238 2.042 28.912 -0.660 1.00 13.43 C ATOM 1249 CD PRO A 238 0.991 28.183 0.125 1.00 12.07 C ATOM 1250 N THR A 239 3.167 28.149 3.273 1.00 10.95 N ATOM 1251 CA THR A 239 3.785 28.466 4.551 1.00 11.29 C ATOM 1252 C THR A 239 3.400 27.507 5.662 1.00 10.75 C ATOM 1253 O THR A 239 2.243 27.086 5.771 1.00 11.46 O ATOM 1254 CB THR A 239 3.471 29.905 5.005 1.00 14.02 C ATOM 1255 OG1 THR A 239 2.060 30.137 4.939 1.00 16.64 O ATOM 1256 CG2 THR A 239 4.210 30.908 4.128 1.00 15.33 C ATOM 1257 HG1 THR A 239 1.593 29.497 5.532 1.00 0.00 H ATOM 1258 H THR A 239 2.142 28.277 3.151 1.00 0.00 H ATOM 1259 N TYR A 240 4.386 27.169 6.481 1.00 11.42 N ATOM 1260 CA TYR A 240 4.232 26.232 7.583 1.00 12.44 C ATOM 1261 C TYR A 240 3.233 26.708 8.622 1.00 15.34 C ATOM 1262 O TYR A 240 3.205 27.884 8.978 1.00 17.78 O ATOM 1263 CB TYR A 240 5.604 26.005 8.232 1.00 12.95 C ATOM 1264 CG TYR A 240 5.602 25.194 9.514 1.00 13.09 C ATOM 1265 CD1 TYR A 240 5.870 23.832 9.496 1.00 12.84 C ATOM 1266 CD2 TYR A 240 5.355 25.799 10.747 1.00 14.09 C ATOM 1267 CE1 TYR A 240 5.871 23.097 10.659 1.00 12.73 C ATOM 1268 CE2 TYR A 240 5.348 25.071 11.911 1.00 14.02 C ATOM 1269 CZ TYR A 240 5.613 23.718 11.864 1.00 13.14 C ATOM 1270 OH TYR A 240 5.615 22.989 13.027 1.00 13.99 O ATOM 1271 HH TYR A 240 6.302 23.351 13.641 1.00 0.00 H ATOM 1272 H TYR A 240 5.321 27.597 6.327 1.00 0.00 H ATOM 1273 N ALA A 241 2.424 25.769 9.100 1.00 16.61 N ATOM 1274 CA ALA A 241 1.576 25.963 10.265 1.00 18.53 C ATOM 1275 C ALA A 241 1.629 24.677 11.077 1.00 18.98 C ATOM 1276 O ALA A 241 1.735 23.587 10.514 1.00 19.25 O ATOM 1277 CB ALA A 241 0.150 26.270 9.842 1.00 19.95 C ATOM 1278 H ALA A 241 2.396 24.849 8.617 1.00 0.00 H ATOM 1279 N TYR A 242 1.588 24.790 12.399 1.00 19.41 N ATOM 1280 CA TYR A 242 1.488 23.591 13.214 1.00 19.26 C ATOM 1281 C TYR A 242 0.034 23.218 13.435 1.00 21.66 C ATOM 1282 O TYR A 242 -0.790 24.049 13.822 1.00 22.89 O ATOM 1283 CB TYR A 242 2.191 23.730 14.565 1.00 18.07 C ATOM 1284 CG TYR A 242 1.983 22.503 15.435 1.00 17.69 C ATOM 1285 CD1 TYR A 242 2.714 21.335 15.221 1.00 17.78 C ATOM 1286 CD2 TYR A 242 1.030 22.502 16.449 1.00 18.57 C ATOM 1287 CE1 TYR A 242 2.509 20.215 16.003 1.00 19.49 C ATOM 1288 CE2 TYR A 242 0.820 21.386 17.231 1.00 20.17 C ATOM 1289 CZ TYR A 242 1.562 20.244 17.006 1.00 21.72 C ATOM 1290 OH TYR A 242 1.356 19.134 17.796 1.00 26.10 O ATOM 1291 HH TYR A 242 1.963 18.407 17.507 1.00 0.00 H ATOM 1292 H TYR A 242 1.627 25.728 12.847 1.00 0.00 H ATOM 1293 N VAL A 243 -0.284 21.961 13.172 1.00 23.45 N ATOM 1294 CA VAL A 243 -1.588 21.435 13.528 1.00 25.58 C ATOM 1295 C VAL A 243 -1.347 20.173 14.336 1.00 27.26 C ATOM 1296 O VAL A 243 -0.341 19.486 14.130 1.00 26.60 O ATOM 1297 CB VAL A 243 -2.471 21.148 12.289 1.00 26.48 C ATOM 1298 CG1 VAL A 243 -2.485 22.351 11.349 1.00 26.93 C ATOM 1299 CG2 VAL A 243 -2.012 19.891 11.563 1.00 26.76 C ATOM 1300 H VAL A 243 0.409 21.343 12.704 1.00 0.00 H ATOM 1301 N ASP A 244 -2.240 19.889 15.280 1.00 30.63 N ATOM 1302 CA ASP A 244 -2.100 18.696 16.101 1.00 34.12 C ATOM 1303 C ASP A 244 -1.925 17.478 15.202 1.00 33.82 C ATOM 1304 O ASP A 244 -2.758 17.193 14.342 1.00 33.16 O ATOM 1305 CB ASP A 244 -3.296 18.522 17.050 1.00 38.80 C ATOM 1306 CG ASP A 244 -3.161 17.297 17.938 1.00 45.10 C ATOM 1307 OD1 ASP A 244 -2.028 16.786 18.090 1.00 47.41 O ATOM 1308 OD2 ASP A 244 -4.189 16.846 18.487 1.00 48.52 O ATOM 1309 H ASP A 244 -3.047 20.527 15.433 1.00 0.00 H ATOM 1310 N ILE A 245 -0.805 16.793 15.407 1.00 34.49 N ATOM 1311 CA ILE A 245 -0.331 15.719 14.538 1.00 34.92 C ATOM 1312 C ILE A 245 -1.298 14.537 14.515 1.00 34.72 C ATOM 1313 O ILE A 245 -1.409 13.802 13.525 1.00 34.70 O ATOM 1314 CB ILE A 245 1.057 15.231 15.018 1.00 35.40 C ATOM 1315 CG1 ILE A 245 2.029 16.407 15.127 1.00 32.31 C ATOM 1316 CG2 ILE A 245 1.625 14.196 14.083 1.00 36.61 C ATOM 1317 CD1 ILE A 245 2.270 17.100 13.809 1.00 28.69 C ATOM 1318 H ILE A 245 -0.230 17.037 16.238 1.00 0.00 H ATOM 1319 N ASN A 246 -1.983 14.353 15.639 1.00 34.58 N ATOM 1320 CA ASN A 246 -2.910 13.247 15.817 1.00 35.17 C ATOM 1321 C ASN A 246 -4.189 13.452 15.021 1.00 33.67 C ATOM 1322 O ASN A 246 -4.822 12.495 14.588 1.00 35.17 O ATOM 1323 CB ASN A 246 -3.256 13.074 17.300 1.00 37.97 C ATOM 1324 CG ASN A 246 -2.059 12.676 18.139 1.00 41.88 C ATOM 1325 OD1 ASN A 246 -1.028 12.265 17.615 1.00 43.19 O ATOM 1326 ND2 ASN A 246 -2.194 12.794 19.453 1.00 44.06 N ATOM 1327 HD22 ASN A 246 -3.086 13.147 19.854 1.00 0.00 H ATOM 1328 HD21 ASN A 246 -1.408 12.534 20.082 1.00 0.00 H ATOM 1329 H ASN A 246 -1.851 15.026 16.421 1.00 0.00 H ATOM 1330 N THR A 247 -4.564 14.709 14.837 1.00 31.17 N ATOM 1331 CA THR A 247 -5.791 15.047 14.132 1.00 29.71 C ATOM 1332 C THR A 247 -5.479 15.538 12.719 1.00 27.63 C ATOM 1333 O THR A 247 -6.387 15.908 11.973 1.00 28.19 O ATOM 1334 CB THR A 247 -6.585 16.134 14.885 1.00 30.61 C ATOM 1335 OG1 THR A 247 -5.967 17.409 14.681 1.00 30.43 O ATOM 1336 CG2 THR A 247 -6.624 15.832 16.375 1.00 31.34 C ATOM 1337 HG1 THR A 247 -5.958 17.619 13.714 1.00 0.00 H ATOM 1338 H THR A 247 -3.965 15.475 15.206 1.00 0.00 H ATOM 1339 N PHE A 248 -4.198 15.538 12.349 1.00 25.11 N ATOM 1340 CA PHE A 248 -3.811 15.976 11.012 1.00 21.96 C ATOM 1341 C PHE A 248 -4.537 15.196 9.927 1.00 20.17 C ATOM 1342 O PHE A 248 -4.610 13.972 9.977 1.00 21.63 O ATOM 1343 CB PHE A 248 -2.301 15.851 10.771 1.00 20.48 C ATOM 1344 CG PHE A 248 -1.918 16.078 9.338 1.00 18.14 C ATOM 1345 CD1 PHE A 248 -1.792 17.366 8.851 1.00 18.06 C ATOM 1346 CD2 PHE A 248 -1.748 15.012 8.461 1.00 17.40 C ATOM 1347 CE1 PHE A 248 -1.475 17.595 7.530 1.00 18.16 C ATOM 1348 CE2 PHE A 248 -1.428 15.237 7.138 1.00 17.70 C ATOM 1349 CZ PHE A 248 -1.293 16.529 6.672 1.00 17.91 C ATOM 1350 H PHE A 248 -3.468 15.223 13.019 1.00 0.00 H ATOM 1351 N ARG A 249 -5.048 15.907 8.929 1.00 17.59 N ATOM 1352 CA ARG A 249 -5.509 15.249 7.718 1.00 16.93 C ATOM 1353 C ARG A 249 -5.250 16.090 6.472 1.00 15.11 C ATOM 1354 O ARG A 249 -5.263 17.326 6.517 1.00 16.33 O ATOM 1355 CB ARG A 249 -6.983 14.823 7.817 1.00 19.37 C ATOM 1356 CG ARG A 249 -7.999 15.935 7.951 1.00 23.35 C ATOM 1357 CD ARG A 249 -9.372 15.359 8.357 1.00 27.83 C ATOM 1358 NE ARG A 249 -9.877 14.347 7.423 1.00 30.20 N ATOM 1359 CZ ARG A 249 -10.700 13.351 7.759 1.00 30.83 C ATOM 1360 NH1 ARG A 249 -11.110 13.211 9.012 1.00 31.77 N ATOM 1361 NH2 ARG A 249 -11.109 12.485 6.840 1.00 30.96 N ATOM 1362 HE ARG A 249 -9.573 14.410 6.430 1.00 0.00 H ATOM 1363 HH12 ARG A 249 -11.751 12.432 9.265 1.00 0.00 H ATOM 1364 HH11 ARG A 249 -10.790 13.880 9.741 1.00 0.00 H ATOM 1365 HH22 ARG A 249 -11.750 11.710 7.105 1.00 0.00 H ATOM 1366 HH21 ARG A 249 -10.788 12.581 5.855 1.00 0.00 H ATOM 1367 H ARG A 249 -5.119 16.941 9.014 1.00 0.00 H ATOM 1368 N LEU A 250 -4.970 15.409 5.368 1.00 13.25 N ATOM 1369 CA LEU A 250 -4.892 16.065 4.074 1.00 12.22 C ATOM 1370 C LEU A 250 -6.205 16.763 3.797 1.00 11.80 C ATOM 1371 O LEU A 250 -7.271 16.219 4.080 1.00 13.62 O ATOM 1372 CB LEU A 250 -4.658 15.039 2.973 1.00 11.81 C ATOM 1373 CG LEU A 250 -3.287 14.387 2.911 1.00 11.15 C ATOM 1374 CD1 LEU A 250 -3.266 13.388 1.778 1.00 11.58 C ATOM 1375 CD2 LEU A 250 -2.195 15.438 2.727 1.00 10.87 C ATOM 1376 H LEU A 250 -4.803 14.384 5.430 1.00 0.00 H ATOM 1377 N SER A 251 -6.138 17.960 3.228 1.00 11.63 N ATOM 1378 CA SER A 251 -7.356 18.632 2.813 1.00 12.42 C ATOM 1379 C SER A 251 -7.880 17.985 1.535 1.00 12.28 C ATOM 1380 O SER A 251 -7.168 17.229 0.872 1.00 11.82 O ATOM 1381 CB SER A 251 -7.089 20.110 2.558 1.00 14.77 C ATOM 1382 OG SER A 251 -6.304 20.262 1.392 1.00 16.35 O ATOM 1383 HG SER A 251 -5.442 19.789 1.512 1.00 0.00 H ATOM 1384 H SER A 251 -5.215 18.416 3.080 1.00 0.00 H ATOM 1385 N ALA A 252 -9.122 18.281 1.188 1.00 13.00 N ATOM 1386 CA ALA A 252 -9.680 17.771 -0.054 1.00 12.87 C ATOM 1387 C ALA A 252 -8.865 18.266 -1.249 1.00 12.60 C ATOM 1388 O ALA A 252 -8.772 17.584 -2.272 1.00 12.14 O ATOM 1389 CB ALA A 252 -11.134 18.172 -0.195 1.00 14.28 C ATOM 1390 H ALA A 252 -9.703 18.882 1.807 1.00 0.00 H ATOM 1391 N ASP A 253 -8.274 19.450 -1.129 1.00 13.29 N ATOM 1392 CA ASP A 253 -7.442 19.946 -2.208 1.00 13.31 C ATOM 1393 C ASP A 253 -6.148 19.139 -2.388 1.00 12.45 C ATOM 1394 O ASP A 253 -5.749 18.883 -3.521 1.00 13.21 O ATOM 1395 CB ASP A 253 -7.115 21.418 -2.049 1.00 14.25 C ATOM 1396 CG ASP A 253 -6.375 21.963 -3.253 1.00 15.80 C ATOM 1397 OD1 ASP A 253 -5.204 22.361 -3.107 1.00 16.72 O ATOM 1398 OD2 ASP A 253 -6.962 21.954 -4.354 1.00 17.23 O ATOM 1399 H ASP A 253 -8.407 20.017 -0.267 1.00 0.00 H ATOM 1400 N ASP A 254 -5.496 18.753 -1.289 1.00 11.40 N ATOM 1401 CA ASP A 254 -4.296 17.916 -1.357 1.00 11.21 C ATOM 1402 C ASP A 254 -4.616 16.570 -1.997 1.00 10.90 C ATOM 1403 O ASP A 254 -3.832 16.045 -2.792 1.00 12.51 O ATOM 1404 CB ASP A 254 -3.725 17.646 0.035 1.00 11.45 C ATOM 1405 CG ASP A 254 -3.286 18.906 0.754 1.00 12.70 C ATOM 1406 OD1 ASP A 254 -3.678 19.060 1.934 1.00 13.77 O ATOM 1407 OD2 ASP A 254 -2.543 19.715 0.153 1.00 13.32 O ATOM 1408 H ASP A 254 -5.850 19.055 -0.359 1.00 0.00 H ATOM 1409 N ILE A 255 -5.749 15.991 -1.619 1.00 10.92 N ATOM 1410 CA ILE A 255 -6.139 14.693 -2.139 1.00 11.45 C ATOM 1411 C ILE A 255 -6.443 14.804 -3.627 1.00 10.99 C ATOM 1412 O ILE A 255 -6.018 13.959 -4.418 1.00 10.94 O ATOM 1413 CB ILE A 255 -7.320 14.112 -1.341 1.00 12.21 C ATOM 1414 CG1 ILE A 255 -6.857 13.823 0.089 1.00 14.03 C ATOM 1415 CG2 ILE A 255 -7.843 12.830 -1.999 1.00 12.43 C ATOM 1416 CD1 ILE A 255 -7.970 13.732 1.103 1.00 15.92 C ATOM 1417 H ILE A 255 -6.368 16.476 -0.938 1.00 0.00 H ATOM 1418 N ARG A 256 -7.166 15.852 -4.007 1.00 11.53 N ATOM 1419 CA ARG A 256 -7.415 16.127 -5.412 1.00 12.31 C ATOM 1420 C ARG A 256 -6.102 16.226 -6.187 1.00 11.64 C ATOM 1421 O ARG A 256 -5.942 15.592 -7.230 1.00 12.01 O ATOM 1422 CB ARG A 256 -8.204 17.426 -5.580 1.00 13.81 C ATOM 1423 CG ARG A 256 -8.298 17.898 -7.024 1.00 16.12 C ATOM 1424 CD ARG A 256 -8.366 19.420 -7.116 1.00 18.61 C ATOM 1425 NE ARG A 256 -7.166 20.070 -6.591 1.00 20.05 N ATOM 1426 CZ ARG A 256 -6.015 20.161 -7.250 1.00 20.45 C ATOM 1427 NH1 ARG A 256 -5.895 19.639 -8.465 1.00 20.62 N ATOM 1428 NH2 ARG A 256 -4.980 20.770 -6.690 1.00 20.89 N ATOM 1429 HE ARG A 256 -7.216 20.488 -5.640 1.00 0.00 H ATOM 1430 HH12 ARG A 256 -4.992 19.713 -8.976 1.00 0.00 H ATOM 1431 HH11 ARG A 256 -6.704 19.156 -8.906 1.00 0.00 H ATOM 1432 HH22 ARG A 256 -4.079 20.842 -7.204 1.00 0.00 H ATOM 1433 HH21 ARG A 256 -5.069 21.176 -5.737 1.00 0.00 H ATOM 1434 H ARG A 256 -7.561 16.488 -3.285 1.00 0.00 H ATOM 1435 N GLY A 257 -5.166 17.023 -5.676 1.00 11.59 N ATOM 1436 CA GLY A 257 -3.891 17.202 -6.338 1.00 11.77 C ATOM 1437 C GLY A 257 -3.143 15.899 -6.530 1.00 11.05 C ATOM 1438 O GLY A 257 -2.692 15.594 -7.638 1.00 12.20 O ATOM 1439 H GLY A 257 -5.354 17.526 -4.785 1.00 0.00 H ATOM 1440 N ILE A 258 -3.012 15.106 -5.473 1.00 10.20 N ATOM 1441 CA ILE A 258 -2.192 13.910 -5.595 1.00 10.23 C ATOM 1442 C ILE A 258 -2.905 12.818 -6.408 1.00 9.43 C ATOM 1443 O ILE A 258 -2.259 12.070 -7.150 1.00 10.35 O ATOM 1444 CB ILE A 258 -1.695 13.382 -4.222 1.00 9.87 C ATOM 1445 CG1 ILE A 258 -0.490 12.451 -4.402 1.00 10.24 C ATOM 1446 CG2 ILE A 258 -2.816 12.708 -3.447 1.00 9.90 C ATOM 1447 CD1 ILE A 258 0.782 13.187 -4.797 1.00 9.76 C ATOM 1448 H ILE A 258 -3.486 15.335 -4.576 1.00 0.00 H ATOM 1449 N GLN A 259 -4.233 12.742 -6.300 1.00 9.19 N ATOM 1450 CA GLN A 259 -4.973 11.765 -7.094 1.00 9.98 C ATOM 1451 C GLN A 259 -4.977 12.123 -8.582 1.00 11.82 C ATOM 1452 O GLN A 259 -5.177 11.260 -9.430 1.00 13.44 O ATOM 1453 CB GLN A 259 -6.396 11.567 -6.559 1.00 9.55 C ATOM 1454 CG GLN A 259 -6.437 10.816 -5.232 1.00 9.61 C ATOM 1455 CD GLN A 259 -7.778 10.142 -4.960 1.00 9.03 C ATOM 1456 OE1 GLN A 259 -8.829 10.566 -5.457 1.00 9.94 O ATOM 1457 NE2 GLN A 259 -7.745 9.097 -4.144 1.00 9.15 N ATOM 1458 HE22 GLN A 259 -6.839 8.774 -3.749 1.00 0.00 H ATOM 1459 HE21 GLN A 259 -8.625 8.600 -3.899 1.00 0.00 H ATOM 1460 H GLN A 259 -4.740 13.378 -5.651 1.00 0.00 H ATOM 1461 N SER A 260 -4.743 13.392 -8.896 1.00 11.91 N ATOM 1462 CA SER A 260 -4.656 13.807 -10.289 1.00 12.50 C ATOM 1463 C SER A 260 -3.322 13.381 -10.899 1.00 12.73 C ATOM 1464 O SER A 260 -3.208 13.217 -12.116 1.00 13.98 O ATOM 1465 CB SER A 260 -4.839 15.319 -10.425 1.00 12.84 C ATOM 1466 OG SER A 260 -4.618 15.731 -11.762 1.00 12.81 O ATOM 1467 HG SER A 260 -5.264 15.275 -12.358 1.00 0.00 H ATOM 1468 H SER A 260 -4.621 14.096 -8.140 1.00 0.00 H ATOM 1469 N LEU A 261 -2.318 13.199 -10.048 1.00 12.34 N ATOM 1470 CA LEU A 261 -0.996 12.801 -10.514 1.00 12.27 C ATOM 1471 C LEU A 261 -0.839 11.285 -10.584 1.00 12.26 C ATOM 1472 O LEU A 261 -0.144 10.775 -11.463 1.00 13.80 O ATOM 1473 CB LEU A 261 0.089 13.374 -9.605 1.00 12.93 C ATOM 1474 CG LEU A 261 0.211 14.894 -9.518 1.00 14.07 C ATOM 1475 CD1 LEU A 261 1.372 15.261 -8.610 1.00 13.65 C ATOM 1476 CD2 LEU A 261 0.376 15.508 -10.908 1.00 16.04 C ATOM 1477 H LEU A 261 -2.479 13.343 -9.031 1.00 0.00 H ATOM 1478 N TYR A 262 -1.467 10.574 -9.650 1.00 11.46 N ATOM 1479 CA TYR A 262 -1.292 9.122 -9.529 1.00 11.99 C ATOM 1480 C TYR A 262 -2.613 8.397 -9.425 1.00 14.93 C ATOM 1481 O TYR A 262 -3.472 8.789 -8.653 1.00 15.85 O ATOM 1482 CB TYR A 262 -0.449 8.778 -8.299 1.00 11.51 C ATOM 1483 CG TYR A 262 0.914 9.402 -8.363 1.00 10.61 C ATOM 1484 CD1 TYR A 262 1.933 8.810 -9.100 1.00 10.86 C ATOM 1485 CD2 TYR A 262 1.175 10.613 -7.727 1.00 10.89 C ATOM 1486 CE1 TYR A 262 3.178 9.392 -9.188 1.00 10.71 C ATOM 1487 CE2 TYR A 262 2.421 11.205 -7.815 1.00 11.13 C ATOM 1488 CZ TYR A 262 3.413 10.591 -8.545 1.00 10.35 C ATOM 1489 OH TYR A 262 4.656 11.162 -8.646 1.00 10.80 O ATOM 1490 HH TYR A 262 4.574 12.056 -9.064 1.00 0.00 H ATOM 1491 H TYR A 262 -2.101 11.062 -8.986 1.00 0.00 H ATOM 1492 N GLY A 263 -2.744 7.310 -10.177 1.00 16.27 N ATOM 1493 CA GLY A 263 -3.927 6.473 -10.119 1.00 19.36 C ATOM 1494 C GLY A 263 -4.962 6.839 -11.162 1.00 22.90 C ATOM 1495 O GLY A 263 -4.820 7.824 -11.888 1.00 24.63 O ATOM 1496 OXT GLY A 263 -5.976 6.154 -11.306 1.00 24.91 O ATOM 1497 H GLY A 263 -1.975 7.051 -10.827 1.00 0.00 H TER 1498 GLY A 263 HETATM 1499 ZN ZN A 1 6.315 24.024 -0.873 1.00 11.63 ZN HETATM 1500 ZN ZN A 2 19.144 21.223 -1.136 1.00 10.16 ZN HETATM 1501 CA CA A 3 16.673 10.919 -5.889 1.00 12.19 CA HETATM 1502 CA CA A 4 18.826 21.775 14.009 1.00 11.95 CA HETATM 1503 CA CA A 5 15.944 28.278 7.271 1.00 10.54 CA HETATM 1504 O HOH 6 -7.896 6.512 -12.404 1.00 35.44 O HETATM 1505 O HOH 7 -10.551 13.585 4.794 1.00 30.98 O HETATM 1506 O HOH 8 -4.524 10.224 -11.947 1.00 19.24 O HETATM 1507 O HOH 9 -5.355 18.776 12.751 1.00 46.68 O HETATM 1508 O HOH 10 8.279 33.516 -1.154 1.00 34.36 O HETATM 1509 O HOH 11 10.813 33.511 4.550 1.00 30.90 O HETATM 1510 O HOH 12 12.738 28.253 12.482 1.00 29.50 O HETATM 1511 O HOH 13 22.104 5.173 8.768 1.00 41.29 O HETATM 1512 O HOH 14 20.266 20.184 18.085 1.00 24.03 O HETATM 1513 O HOH 15 22.572 17.696 10.357 1.00 14.92 O HETATM 1514 O HOH 16 10.867 33.128 9.238 1.00 23.21 O HETATM 1515 O HOH 17 5.811 24.445 15.188 1.00 18.55 O HETATM 1516 O HOH 18 18.427 11.912 14.952 1.00 24.90 O HETATM 1517 O HOH 19 6.528 -0.742 -0.235 1.00 20.52 O HETATM 1518 O HOH 20 2.605 16.870 18.280 1.00 32.37 O HETATM 1519 O HOH 21 -5.402 17.718 -13.298 1.00 39.64 O HETATM 1520 O HOH 22 13.291 13.039 19.454 1.00 27.54 O HETATM 1521 O HOH 23 2.841 6.911 -11.986 1.00 27.81 O HETATM 1522 O HOH 24 0.000 0.000 -6.061 1.00 21.97 O HETATM 1523 O HOH 25 18.128 9.202 -5.235 1.00 18.28 O HETATM 1524 O HOH 26 17.997 33.401 11.440 1.00 30.84 O HETATM 1525 O HOH 27 -2.451 28.247 6.881 1.00 28.53 O HETATM 1526 O HOH 28 17.323 3.802 11.910 1.00 29.45 O HETATM 1527 O HOH 29 -0.724 3.794 3.306 1.00 17.87 O HETATM 1528 O HOH 30 6.882 27.794 0.413 1.00 13.95 O HETATM 1529 O HOH 31 9.269 26.921 12.158 1.00 24.03 O HETATM 1530 O HOH 32 9.229 -2.399 2.708 1.00 24.84 O HETATM 1531 O HOH 33 -2.483 17.202 -12.396 1.00 41.64 O HETATM 1532 O HOH 34 15.325 0.801 8.662 1.00 36.94 O HETATM 1533 O HOH 35 20.162 14.831 -2.108 1.00 13.96 O HETATM 1534 O HOH 36 6.343 21.562 -7.170 1.00 37.99 O HETATM 1535 O HOH 37 24.057 16.829 5.012 1.00 16.07 O HETATM 1536 O HOH 38 -4.699 31.463 -0.482 1.00 22.98 O HETATM 1537 O HOH 39 15.122 7.360 -8.827 1.00 13.92 O HETATM 1538 O HOH 40 -6.038 15.146 19.485 1.00 35.84 O HETATM 1539 O HOH 41 16.302 32.872 8.077 1.00 26.95 O HETATM 1540 O HOH 42 28.181 26.047 3.070 1.00 14.73 O HETATM 1541 O HOH 43 18.355 4.513 8.595 1.00 27.59 O HETATM 1542 O HOH 44 11.361 5.841 8.229 1.00 14.12 O HETATM 1543 O HOH 45 16.451 17.541 21.517 1.00 36.14 O HETATM 1544 O HOH 46 15.945 9.821 -7.874 1.00 12.50 O HETATM 1545 O HOH 47 0.829 8.611 -12.778 1.00 19.34 O HETATM 1546 O HOH 48 -9.416 12.962 -6.589 1.00 13.86 O HETATM 1547 O HOH 49 24.671 1.059 3.374 1.00 47.46 O HETATM 1548 O HOH 50 -6.530 19.998 6.452 1.00 40.41 O HETATM 1549 O HOH 51 20.401 5.704 -1.852 1.00 16.48 O HETATM 1550 O HOH 52 21.054 12.134 -4.558 1.00 20.50 O HETATM 1551 O HOH 53 13.429 18.073 19.043 1.00 15.83 O HETATM 1552 O HOH 54 13.648 2.206 -5.919 1.00 16.17 O HETATM 1553 O HOH 55 -2.849 20.673 -2.384 1.00 14.35 O HETATM 1554 O HOH 56 7.909 19.293 -7.190 1.00 23.13 O HETATM 1555 O HOH 57 10.400 34.131 0.084 1.00 27.24 O HETATM 1556 O HOH 58 13.474 3.309 13.635 1.00 27.10 O HETATM 1557 O HOH 59 24.291 28.524 8.579 1.00 18.38 O HETATM 1558 O HOH 60 3.565 28.985 -4.550 1.00 33.74 O HETATM 1559 O HOH 61 22.537 -1.435 5.793 1.00 34.73 O HETATM 1560 O HOH 62 20.927 26.974 6.857 1.00 10.38 O HETATM 1561 O HOH 63 17.763 26.011 15.405 1.00 21.42 O HETATM 1562 O HOH 64 1.658 19.222 -10.067 1.00 26.71 O HETATM 1563 O HOH 65 -3.751 10.372 4.334 1.00 16.91 O HETATM 1564 O HOH 66 11.416 1.474 -7.429 1.00 14.30 O HETATM 1565 O HOH 67 23.021 13.761 14.277 1.00 28.65 O HETATM 1566 O HOH 68 3.356 25.661 -6.858 1.00 28.91 O HETATM 1567 O HOH 69 12.882 25.867 13.871 1.00 16.65 O HETATM 1568 O HOH 70 9.944 20.880 -6.242 1.00 20.06 O HETATM 1569 O HOH 71 19.791 5.344 6.551 1.00 28.69 O HETATM 1570 O HOH 72 11.462 -1.029 4.388 1.00 32.59 O HETATM 1571 O HOH 73 23.337 14.983 10.447 1.00 14.85 O HETATM 1572 O HOH 74 -0.059 11.992 -13.948 1.00 23.35 O HETATM 1573 O HOH 75 -9.777 21.550 0.549 1.00 25.00 O HETATM 1574 O HOH 76 6.911 2.679 14.006 1.00 36.00 O HETATM 1575 O HOH 77 21.860 4.387 4.932 1.00 21.90 O HETATM 1576 O HOH 78 3.792 4.475 2.977 1.00 18.51 O HETATM 1577 O HOH 79 -3.990 19.256 4.981 1.00 28.29 O HETATM 1578 O HOH 80 1.852 27.263 13.634 1.00 33.18 O HETATM 1579 O HOH 81 9.337 33.099 6.460 1.00 26.33 O HETATM 1580 O HOH 82 13.693 22.242 -4.693 1.00 19.06 O HETATM 1581 O HOH 83 10.589 22.481 -2.462 1.00 13.39 O HETATM 1582 O HOH 84 -0.480 6.448 -11.795 1.00 17.36 O HETATM 1583 O HOH 85 -1.009 29.622 -2.380 1.00 25.47 O HETATM 1584 O HOH 86 -5.869 3.768 -9.870 1.00 33.48 O HETATM 1585 O HOH 87 12.189 30.321 13.595 1.00 38.92 O HETATM 1586 O HOH 88 0.000 0.000 -8.620 1.00 15.79 O HETATM 1587 O HOH 89 15.901 3.838 -7.320 1.00 30.19 O HETATM 1588 O HOH 90 16.602 14.770 -11.851 1.00 32.90 O HETATM 1589 O HOH 91 13.658 17.135 -10.363 1.00 24.38 O HETATM 1590 O HOH 92 0.491 8.910 8.651 1.00 18.08 O HETATM 1591 O HOH 93 -4.613 4.234 -1.326 1.00 16.95 O HETATM 1592 O HOH 94 18.871 7.935 -9.584 1.00 29.43 O HETATM 1593 O HOH 95 24.717 27.020 11.843 1.00 21.07 O HETATM 1594 O HOH 96 -10.376 15.291 -2.424 1.00 17.73 O HETATM 1595 O HOH 97 5.870 21.739 22.654 1.00 36.57 O HETATM 1596 O HOH 98 5.172 4.824 5.227 1.00 14.96 O HETATM 1597 O HOH 99 10.953 4.544 14.433 1.00 20.24 O HETATM 1598 O HOH 100 8.588 11.212 15.745 1.00 18.23 O HETATM 1599 O HOH 101 16.545 29.202 -0.967 1.00 6.82 O HETATM 1600 O HOH 102 22.493 24.095 13.067 1.00 27.57 O HETATM 1601 O HOH 103 7.638 15.424 13.725 1.00 15.63 O HETATM 1602 O HOH 104 13.652 -2.415 3.772 1.00 31.42 O HETATM 1603 O HOH 105 29.090 25.968 5.622 1.00 22.02 O HETATM 1604 O HOH 106 3.477 15.122 -15.740 1.00 28.27 O HETATM 1605 O HOH 107 -0.412 23.530 -7.627 1.00 34.57 O HETATM 1606 O HOH 108 -7.943 14.252 -8.712 1.00 14.79 O HETATM 1607 O HOH 109 15.781 23.069 -9.189 1.00 45.56 O HETATM 1608 O HOH 110 19.871 22.340 -7.616 1.00 18.67 O HETATM 1609 O HOH 111 -3.304 22.609 -5.339 1.00 28.32 O HETATM 1610 O HOH 112 7.232 3.162 4.527 1.00 25.61 O HETATM 1611 O HOH 113 6.955 30.187 -0.782 1.00 23.83 O HETATM 1612 O HOH 114 -7.740 6.828 2.291 1.00 14.99 O HETATM 1613 O HOH 115 12.414 27.003 16.580 1.00 34.17 O HETATM 1614 O HOH 116 22.682 24.507 -1.572 1.00 11.69 O HETATM 1615 O HOH 117 4.668 13.475 16.431 1.00 32.38 O HETATM 1616 O HOH 118 22.955 19.020 -2.530 1.00 30.00 O HETATM 1617 O HOH 119 17.247 4.918 5.452 1.00 12.44 O HETATM 1618 O HOH 120 24.417 26.427 -2.784 1.00 19.13 O HETATM 1619 O HOH 121 11.977 7.649 20.794 1.00 31.53 O HETATM 1620 O HOH 122 -1.087 20.970 -4.418 1.00 23.30 O HETATM 1621 O HOH 123 5.811 13.788 20.379 1.00 20.26 O HETATM 1622 O HOH 124 4.382 0.679 -10.998 1.00 25.03 O HETATM 1623 O HOH 125 -0.259 20.659 -7.161 1.00 25.42 O HETATM 1624 O HOH 126 -10.112 16.319 4.546 1.00 30.53 O HETATM 1625 O HOH 127 12.279 18.936 21.401 1.00 23.26 O HETATM 1626 O HOH 128 21.561 14.224 19.119 1.00 35.19 O HETATM 1627 O HOH 129 -11.598 15.045 11.184 1.00 48.52 O HETATM 1628 O HOH 130 26.547 27.937 4.052 1.00 12.98 O HETATM 1629 O HOH 131 20.161 27.566 14.169 1.00 37.75 O HETATM 1630 O HOH 132 -7.285 15.853 -12.869 1.00 25.83 O HETATM 1631 O HOH 133 5.287 0.033 1.960 1.00 32.13 O HETATM 1632 O HOH 134 20.505 30.622 12.391 1.00 29.16 O HETATM 1633 O HOH 135 -8.014 18.855 -10.286 1.00 34.24 O HETATM 1634 O HOH 136 12.542 19.945 -8.936 1.00 28.03 O HETATM 1635 O HOH 137 13.038 4.205 -11.766 1.00 26.22 O HETATM 1636 O HOH 138 18.618 23.401 15.738 1.00 17.07 O HETATM 1637 O HOH 139 20.342 12.344 -12.879 1.00 40.80 O HETATM 1638 O HOH 140 21.077 14.463 -10.216 1.00 26.36 O HETATM 1639 O HOH 141 19.483 8.825 18.224 1.00 28.87 O HETATM 1640 O HOH 142 -5.677 13.814 -13.713 1.00 30.38 O HETATM 1641 O HOH 143 0.270 28.773 7.138 1.00 25.18 O HETATM 1642 O HOH 144 5.098 4.483 -17.945 1.00 36.66 O HETATM 1643 O HOH 145 24.594 8.283 4.179 1.00 30.06 O HETATM 1644 O HOH 146 3.760 2.276 1.580 1.00 18.45 O HETATM 1645 O HOH 147 3.254 -0.277 -5.685 1.00 19.73 O HETATM 1646 O HOH 148 13.541 2.563 10.743 1.00 25.70 O HETATM 1647 O HOH 149 -10.762 20.031 2.921 1.00 18.43 O HETATM 1648 O HOH 150 1.655 -2.307 1.291 1.00 22.67 O HETATM 1649 O HOH 151 -5.039 12.449 5.597 1.00 22.55 O HETATM 1650 O HOH 152 11.188 16.510 19.527 1.00 16.94 O HETATM 1651 O HOH 153 9.896 3.619 -19.317 1.00 44.44 O HETATM 1652 O HOH 154 9.424 1.299 5.025 1.00 21.89 O HETATM 1653 O HOH 155 14.491 2.001 -9.539 1.00 28.46 O HETATM 1654 O HOH 156 9.176 26.952 19.600 1.00 30.95 O HETATM 1655 O HOH 157 9.966 6.893 -12.343 1.00 30.84 O HETATM 1656 O HOH 158 -5.396 25.006 -4.585 1.00 31.50 O HETATM 1657 O HOH 159 25.059 21.550 10.226 1.00 19.03 O HETATM 1658 O HOH 160 9.012 27.895 15.155 1.00 41.24 O HETATM 1659 O HOH 161 22.092 8.789 14.202 1.00 38.54 O HETATM 1660 O HOH 162 4.040 2.924 7.017 1.00 26.15 O HETATM 1661 O HOH 163 8.172 10.746 -17.489 1.00 27.56 O HETATM 1662 O HOH 164 21.928 7.647 -2.808 1.00 25.86 O HETATM 1663 O HOH 165 -7.856 13.269 4.658 1.00 30.50 O HETATM 1664 O HOH 166 19.611 11.689 -15.835 1.00 51.50 O HETATM 1665 O HOH 167 -9.443 15.781 11.749 1.00 47.67 O HETATM 1666 O HOH 168 10.249 11.047 -12.844 1.00 40.38 O HETATM 1667 O HOH 169 21.102 22.012 14.568 1.00 17.00 O HETATM 1668 O HOH 170 4.861 20.966 -9.403 1.00 39.44 O HETATM 1669 O HOH 171 23.698 11.067 10.579 1.00 14.68 O HETATM 1670 O HOH 172 -5.240 18.970 9.402 1.00 28.29 O HETATM 1671 O HOH 173 14.427 32.688 12.958 1.00 45.04 O HETATM 1672 O HOH 174 23.239 17.935 0.405 1.00 22.53 O HETATM 1673 O HOH 175 14.477 7.793 -11.406 1.00 21.69 O HETATM 1674 O HOH 176 -2.940 20.747 -9.057 1.00 38.10 O HETATM 1675 O HOH 177 -5.040 3.105 0.931 1.00 24.21 O HETATM 1676 O HOH 178 9.379 4.080 11.978 1.00 12.95 O HETATM 1677 O HOH 179 -3.027 31.531 -2.466 1.00 24.62 O HETATM 1678 O HOH 180 26.203 27.660 6.812 1.00 16.19 O HETATM 1679 O HOH 181 -3.678 11.594 8.052 1.00 30.06 O HETATM 1680 O HOH 182 20.338 -2.478 7.144 1.00 31.71 O HETATM 1681 O HOH 183 -3.851 23.089 -8.599 1.00 49.23 O HETATM 1682 O HOH 184 -1.374 18.187 -8.997 1.00 29.89 O HETATM 1683 O HOH 185 1.391 1.867 10.521 1.00 42.13 O HETATM 1684 O HOH 186 6.692 -0.097 -9.488 1.00 27.89 O HETATM 1685 O HOH 187 -9.514 22.168 4.382 1.00 33.20 O HETATM 1686 O HOH 188 -6.172 3.766 2.957 1.00 32.50 O HETATM 1687 O HOH 189 22.402 12.519 -6.885 1.00 36.88 O HETATM 1688 O HOH 190 15.723 12.536 21.584 1.00 24.23 O HETATM 1689 O HOH 191 6.265 11.162 -16.092 1.00 32.63 O HETATM 1690 O HOH 192 23.905 8.538 8.696 1.00 27.85 O HETATM 1691 O HOH 193 13.154 16.794 -12.949 1.00 37.06 O HETATM 1692 O HOH 194 1.257 0.703 1.378 1.00 27.11 O HETATM 1693 O HOH 195 -8.044 12.496 -10.830 1.00 21.09 O HETATM 1694 O HOH 196 1.599 12.899 19.740 1.00 41.74 O HETATM 1695 O HOH 197 -11.803 17.129 3.031 1.00 34.01 O HETATM 1696 O HOH 198 -5.869 8.738 4.787 1.00 33.42 O HETATM 1697 O HOH 199 9.651 12.883 -14.417 1.00 47.25 O HETATM 1698 O HOH 200 -5.005 10.882 20.206 1.00 53.94 O HETATM 1699 O HOH 201 15.729 -1.845 5.122 1.00 38.96 O HETATM 1700 O HOH 202 11.908 21.188 22.654 1.00 38.57 O HETATM 1701 O HOH 203 -1.801 15.619 -14.270 1.00 40.62 O HETATM 1702 O HOH 204 11.882 14.433 -15.041 1.00 39.12 O HETATM 1703 O HOH 205 23.443 19.672 8.742 1.00 16.82 O HETATM 1704 O HOH 206 12.130 8.693 23.362 1.00 31.36 O HETATM 1705 O HOH 207 -3.428 27.708 9.069 1.00 62.00 O HETATM 1706 O HOH 208 2.720 2.049 -12.619 1.00 38.35 O HETATM 1707 O HOH 209 16.351 17.190 -10.225 1.00 32.11 O HETATM 1708 O HOH 210 -1.039 31.216 6.553 1.00 47.96 O HETATM 1709 O HOH 211 12.785 34.142 11.967 1.00 61.83 O HETATM 1710 O HOH 212 19.266 19.125 20.559 1.00 48.14 O HETATM 1711 O HOH 213 13.777 26.921 18.624 1.00 40.44 O HETATM 1712 O HOH 214 22.633 16.518 -1.929 1.00 26.70 O HETATM 1713 O HOH 215 4.523 -1.266 -8.071 1.00 23.97 O HETATM 1714 O HOH 216 -2.668 1.119 -10.031 1.00 16.05 O HETATM 1715 O HOH 217 2.968 4.834 -13.703 1.00 29.41 O HETATM 1716 O HOH 218 12.571 25.489 19.999 1.00 40.34 O HETATM 1717 O HOH 219 12.208 6.375 -11.768 1.00 46.62 O HETATM 1718 O HOH 220 1.324 2.123 4.822 1.00 50.12 O HETATM 1719 O HOH 221 -4.822 2.301 -4.873 1.00 18.80 O HETATM 1720 O HOH 222 18.583 -2.970 5.439 1.00 32.27 O HETATM 1721 O HOH 223 1.942 21.961 -10.279 1.00 42.89 O HETATM 1722 O HOH 224 20.172 23.057 18.047 1.00 32.73 O HETATM 1723 O HOH 225 7.457 27.902 -4.994 1.00 27.92 O HETATM 1724 O HOH 226 28.742 28.064 7.143 1.00 27.13 O HETATM 1725 O HOH 227 9.417 23.230 -4.833 1.00 26.52 O HETATM 1726 O HOH 228 20.679 10.687 15.618 1.00 35.78 O HETATM 1727 O HOH 229 7.040 28.440 13.286 1.00 37.67 O HETATM 1728 O HOH 230 10.675 23.231 21.597 1.00 36.51 O HETATM 1729 O HOH 231 7.569 25.231 -4.817 1.00 23.07 O HETATM 1730 O HOH 232 11.118 3.491 9.679 1.00 15.56 O HETATM 1731 O HOH 233 12.452 24.151 -6.146 1.00 40.88 O HETATM 1732 O HOH 234 -2.863 10.030 22.262 1.00 39.59 O HETATM 1733 O HOH 235 -8.438 16.207 -10.636 1.00 19.00 O HETATM 1734 O HOH 236 10.686 4.374 -13.683 1.00 47.31 O HETATM 1735 O HOH 237 4.388 26.975 15.450 1.00 23.31 O HETATM 1736 O HOH 238 12.098 0.339 -11.125 1.00 38.17 O HETATM 1737 O HOH 239 8.502 19.653 -9.578 1.00 41.46 O HETATM 1738 O HOH 240 23.548 31.116 9.161 1.00 23.33 O HETATM 1739 O HOH 241 21.020 9.296 -5.023 1.00 28.60 O HETATM 1740 O HOH 242 17.573 5.955 -8.688 1.00 30.72 O HETATM 1741 O HOH 243 -6.505 4.788 5.610 1.00 43.79 O HETATM 1742 O HOH 244 11.469 5.317 20.067 1.00 40.21 O HETATM 1743 O HOH 245 1.313 9.503 -15.149 1.00 39.81 O HETATM 1744 O HOH 246 8.188 -0.056 9.045 1.00 36.81 O HETATM 1745 O HOH 247 -5.794 2.179 -2.576 1.00 17.63 O HETATM 1746 O HOH 248 16.705 26.883 17.810 1.00 34.79 O HETATM 1747 O HOH 249 24.309 5.616 5.863 1.00 50.95 O HETATM 1748 O HOH 250 6.620 12.942 14.732 1.00 22.67 O HETATM 1749 O HOH 251 23.728 10.695 13.342 1.00 39.94 O HETATM 1750 O HOH 252 -9.002 20.248 5.565 1.00 30.00 O HETATM 1751 O HOH 253 10.431 20.178 -10.845 1.00 39.86 O HETATM 1752 O HOH 254 -1.110 11.116 10.205 1.00 28.36 O HETATM 1753 O HOH 255 26.376 5.965 3.259 1.00 44.53 O HETATM 1754 O HOH 256 24.327 18.331 12.426 1.00 17.27 O HETATM 1755 O HOH 257 2.121 11.476 12.728 1.00 35.76 O HETATM 1756 O HOH 258 12.015 -0.390 7.378 1.00 33.82 O HETATM 1757 O HOH 259 22.408 12.576 16.688 1.00 45.63 O HETATM 1758 O HOH 260 23.600 20.526 13.922 1.00 22.28 O HETATM 1759 O HOH 261 24.950 16.228 14.248 1.00 22.30 O HETATM 1760 O HOH 262 7.439 29.933 -3.230 1.00 41.68 O HETATM 1761 O HOH 263 10.157 1.397 7.947 1.00 22.89 O HETATM 1762 O HOH 264 5.682 0.538 6.395 1.00 36.94 O HETATM 1763 O HOH 265 22.956 10.002 -7.789 1.00 58.86 O HETATM 1764 O HOH 266 10.484 1.246 -13.382 1.00 46.25 O HETATM 1765 O HOH 267 -8.756 15.408 19.288 1.00 39.28 O HETATM 1766 O HOH 268 0.000 31.645 -0.178 1.00 18.57 O HETATM 1767 O HOH 269 11.732 27.299 -7.216 1.00 46.28 O HETATM 1768 O HOH 270 -8.097 7.403 5.141 1.00 41.63 O HETATM 1769 O HOH 271 -10.238 17.326 17.678 1.00 45.39 O HETATM 1770 O HOH 272 3.575 11.083 -17.624 1.00 44.58 O HETATM 1771 O HOH 273 17.503 19.982 -10.362 1.00 53.56 O HETATM 1772 O4 R A 47 9.879 26.540 4.223 1.00 -0.40 O HETATM 1773 C25 R A 47 8.962 26.719 3.449 1.00 0.19 C HETATM 1774 C17 R A 47 8.564 25.685 2.453 1.00 0.08 C HETATM 1775 C16 R A 47 8.700 24.306 3.073 1.00 0.04 C HETATM 1776 C15 R A 47 7.524 23.910 3.921 1.00 0.14 C HETATM 1777 O1 R A 47 7.788 22.978 4.879 1.00 -0.17 O HETATM 1778 N1 R A 47 6.589 22.706 5.578 1.00 -0.15 N HETATM 1779 C13 R A 47 5.684 23.469 5.029 1.00 0.04 C HETATM 1780 C14 R A 47 6.223 24.227 3.995 1.00 -0.03 C HETATM 1781 H4 R A 47 5.691 24.940 3.367 1.00 0.03 H HETATM 1782 C12 R A 47 4.286 23.406 5.516 1.00 -0.01 C HETATM 1783 C11 R A 47 3.311 24.107 4.818 1.00 -0.05 C HETATM 1784 C10 R A 47 1.991 24.055 5.228 1.00 -0.05 C HETATM 1785 C7 R A 47 1.656 23.296 6.337 1.00 -0.02 C HETATM 1786 C8 R A 47 2.621 22.569 7.035 1.00 -0.05 C HETATM 1787 C9 R A 47 3.946 22.620 6.618 1.00 -0.05 C HETATM 1788 H8 R A 47 4.707 22.055 7.143 1.00 0.06 H HETATM 1789 H7 R A 47 2.340 21.970 7.894 1.00 0.06 H HETATM 1790 C6 R A 47 0.241 23.248 6.748 1.00 -0.02 C HETATM 1791 C2 R A 47 -0.305 22.085 7.248 1.00 -0.04 C HETATM 1792 C1 R A 47 -1.643 22.074 7.606 1.00 0.04 C HETATM 1793 CL1 R A 47 -2.320 20.616 8.237 1.00 -0.07 CL HETATM 1794 C3 R A 47 -2.440 23.200 7.463 1.00 -0.05 C HETATM 1795 C4 R A 47 -1.889 24.359 6.949 1.00 -0.06 C HETATM 1796 C5 R A 47 -0.548 24.375 6.588 1.00 -0.05 C HETATM 1797 H12 R A 47 -0.114 25.279 6.177 1.00 0.06 H HETATM 1798 H11 R A 47 -2.498 25.247 6.829 1.00 0.06 H HETATM 1799 H10 R A 47 -3.485 23.172 7.751 1.00 0.06 H HETATM 1800 H9 R A 47 0.303 21.194 7.359 1.00 0.06 H HETATM 1801 H6 R A 47 1.227 24.602 4.687 1.00 0.06 H HETATM 1802 H5 R A 47 3.585 24.696 3.950 1.00 0.06 H HETATM 1803 H2 R A 47 9.602 24.295 3.702 1.00 0.05 H HETATM 1804 H3 R A 47 8.809 23.570 2.263 1.00 0.05 H HETATM 1805 C18 R A 47 9.573 25.804 1.336 1.00 0.04 C HETATM 1806 P1 R A 47 9.157 24.978 -0.215 1.00 0.01 P HETATM 1807 O2 R A 47 9.458 23.482 -0.125 1.00 -0.62 O HETATM 1808 O3 R A 47 7.717 25.261 -0.528 1.00 -0.62 O HETATM 1809 C19 R A 47 10.228 25.747 -1.422 1.00 0.03 C HETATM 1810 C20 R A 47 9.717 26.368 -2.555 1.00 -0.04 C HETATM 1811 C21 R A 47 10.590 26.956 -3.467 1.00 -0.05 C HETATM 1812 C22 R A 47 11.958 26.914 -3.227 1.00 0.02 C HETATM 1813 BR1 R A 47 13.164 27.706 -4.445 1.00 -0.05 BR HETATM 1814 C23 R A 47 12.469 26.300 -2.097 1.00 -0.05 C HETATM 1815 C24 R A 47 11.598 25.710 -1.195 1.00 -0.04 C HETATM 1816 H18 R A 47 11.987 25.218 -0.310 1.00 0.07 H HETATM 1817 H17 R A 47 13.538 26.281 -1.919 1.00 0.07 H HETATM 1818 H16 R A 47 10.206 27.442 -4.356 1.00 0.07 H HETATM 1819 H15 R A 47 8.647 26.395 -2.728 1.00 0.07 H HETATM 1820 H13 R A 47 10.522 25.381 1.696 1.00 0.05 H HETATM 1821 H14 R A 47 9.707 26.874 1.119 1.00 0.05 H HETATM 1822 H1 R A 47 7.538 25.850 2.092 1.00 0.06 H HETATM 1823 N2 R A 47 8.262 27.841 3.404 1.00 -0.27 N HETATM 1824 C26 R A 47 8.592 28.939 4.289 1.00 0.13 C HETATM 1825 C30 R A 47 7.846 28.977 5.584 1.00 0.20 C HETATM 1826 O7 R A 47 6.702 28.589 5.692 1.00 -0.39 O HETATM 1827 N3 R A 47 8.505 29.504 6.600 1.00 -0.26 N HETATM 1828 C31 R A 47 7.906 29.640 7.902 1.00 0.13 C HETATM 1829 C35 R A 47 6.806 30.670 7.898 1.00 0.20 C HETATM 1830 O10 R A 47 5.789 30.488 8.556 1.00 -0.39 O HETATM 1831 N4 R A 47 7.000 31.763 7.158 1.00 -0.30 N HETATM 1832 H31 R A 47 6.298 32.475 7.124 1.00 0.18 H HETATM 1833 H32 R A 47 7.847 31.871 6.638 1.00 0.18 H HETATM 1834 C32 R A 47 9.020 30.095 8.824 1.00 -0.00 C HETATM 1835 C33 R A 47 8.628 30.174 10.283 1.00 0.00 C HETATM 1836 C34 R A 47 9.893 30.366 11.080 1.00 0.04 C HETATM 1837 O8 R A 47 10.370 31.480 11.204 1.00 -0.57 O HETATM 1838 O9 R A 47 10.505 29.309 11.617 1.00 -0.57 O HETATM 1839 H29 R A 47 8.129 29.243 10.589 1.00 0.04 H HETATM 1840 H30 R A 47 7.949 31.024 10.444 1.00 0.04 H HETATM 1841 H27 R A 47 9.348 31.094 8.501 1.00 0.03 H HETATM 1842 H28 R A 47 9.856 29.386 8.730 1.00 0.03 H HETATM 1843 H26 R A 47 7.500 28.673 8.235 1.00 0.08 H HETATM 1844 H25 R A 47 9.445 29.817 6.461 1.00 0.19 H HETATM 1845 C27 R A 47 8.345 30.250 3.545 1.00 -0.00 C HETATM 1846 C28 R A 47 9.293 30.440 2.370 1.00 0.00 C HETATM 1847 C29 R A 47 9.194 31.814 1.748 1.00 0.04 C HETATM 1848 O5 R A 47 8.523 31.995 0.744 1.00 -0.57 O HETATM 1849 O6 R A 47 9.880 32.757 2.388 1.00 -0.57 O HETATM 1850 H23 R A 47 9.054 29.689 1.602 1.00 0.04 H HETATM 1851 H24 R A 47 10.324 30.288 2.723 1.00 0.04 H HETATM 1852 H21 R A 47 8.482 31.085 4.247 1.00 0.03 H HETATM 1853 H22 R A 47 7.311 30.253 3.168 1.00 0.03 H HETATM 1854 H20 R A 47 9.663 28.861 4.528 1.00 0.08 H HETATM 1855 H19 R A 47 7.504 27.931 2.758 1.00 0.19 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 219 218 1502 CONECT 220 218 1502 CONECT 558 557 1501 CONECT 653 651 652 1500 CONECT 666 665 1500 CONECT 714 712 1503 CONECT 719 718 1503 CONECT 737 736 1503 CONECT 747 746 1503 CONECT 777 775 776 1500 CONECT 825 824 1501 CONECT 839 838 1501 CONECT 853 851 1501 CONECT 867 866 869 1500 CONECT 896 895 1502 CONECT 901 899 1502 CONECT 1079 1077 1078 1499 CONECT 1114 1112 1113 1499 CONECT 1161 1159 1160 1499 CONECT 1499 1079 1114 1161 CONECT 1500 653 666 777 867 CONECT 1501 558 825 839 853 CONECT 1502 219 220 896 901 CONECT 1503 714 719 737 747 CONECT 1772 1773 CONECT 1773 1772 1774 1823 CONECT 1774 1773 1775 1805 1822 CONECT 1775 1774 1776 1803 1804 CONECT 1776 1775 1777 1780 CONECT 1777 1776 1778 CONECT 1778 1777 1779 CONECT 1779 1778 1780 1782 CONECT 1780 1776 1779 1781 CONECT 1781 1780 CONECT 1782 1779 1783 1787 CONECT 1783 1782 1784 1802 CONECT 1784 1783 1785 1801 CONECT 1785 1784 1786 1790 CONECT 1786 1785 1787 1789 CONECT 1787 1782 1786 1788 CONECT 1788 1787 CONECT 1789 1786 CONECT 1790 1785 1791 1796 CONECT 1791 1790 1792 1800 CONECT 1792 1791 1793 1794 CONECT 1793 1792 CONECT 1794 1792 1795 1799 CONECT 1795 1794 1796 1798 CONECT 1796 1790 1795 1797 CONECT 1797 1796 CONECT 1798 1795 CONECT 1799 1794 CONECT 1800 1791 CONECT 1801 1784 CONECT 1802 1783 CONECT 1803 1775 CONECT 1804 1775 CONECT 1805 1774 1806 1820 1821 CONECT 1806 1805 1807 1808 1809 CONECT 1807 1806 CONECT 1808 1806 CONECT 1809 1806 1810 1815 CONECT 1810 1809 1811 1819 CONECT 1811 1810 1812 1818 CONECT 1812 1811 1813 1814 CONECT 1813 1812 CONECT 1814 1812 1815 1817 CONECT 1815 1809 1814 1816 CONECT 1816 1815 CONECT 1817 1814 CONECT 1818 1811 CONECT 1819 1810 CONECT 1820 1805 CONECT 1821 1805 CONECT 1822 1774 CONECT 1823 1773 1824 1855 CONECT 1824 1823 1825 1845 1854 CONECT 1825 1824 1826 1827 CONECT 1826 1825 CONECT 1827 1825 1828 1844 CONECT 1828 1827 1829 1834 1843 CONECT 1829 1828 1830 1831 CONECT 1830 1829 CONECT 1831 1829 1832 1833 CONECT 1832 1831 CONECT 1833 1831 CONECT 1834 1828 1835 1841 1842 CONECT 1835 1834 1836 1839 1840 CONECT 1836 1835 1837 1838 CONECT 1837 1836 CONECT 1838 1836 CONECT 1839 1835 CONECT 1840 1835 CONECT 1841 1834 CONECT 1842 1834 CONECT 1843 1828 CONECT 1844 1827 CONECT 1845 1824 1846 1852 1853 CONECT 1846 1845 1847 1850 1851 CONECT 1847 1846 1848 1849 CONECT 1848 1847 CONECT 1849 1847 CONECT 1850 1846 CONECT 1851 1846 CONECT 1852 1845 CONECT 1853 1845 CONECT 1854 1824 CONECT 1855 1823 MASTER 0 0 0 0 0 0 0 0 1854 1 112 13 END
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Structure:
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Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5czm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1jiz
RCSB PDB
PDBbind
166aa, >1JIZ_1|Chains... *
1rmz
RCSB PDB
PDBbind
159aa, >1RMZ_1|Chain... at 98%
1ros
RCSB PDB
PDBbind
163aa, >1ROS_1|Chains... at 97%
1utt
RCSB PDB
PDBbind
159aa, >1UTT_1|Chain... at 100%
1utz
RCSB PDB
PDBbind
159aa, >1UTZ_1|Chains... at 100%
1ycm
RCSB PDB
PDBbind
159aa, >1YCM_1|Chain... at 98%
1z3j
RCSB PDB
PDBbind
159aa, >1Z3J_1|Chain... at 98%
2hu6
RCSB PDB
PDBbind
159aa, >2HU6_1|Chain... at 98%
2k2g
RCSB PDB
PDBbind
165aa, >2K2G_1|Chain... at 99%
2w0d
RCSB PDB
PDBbind
164aa, >2W0D_1|Chains... at 95%
2wo8
RCSB PDB
PDBbind
164aa, >2WO8_1|Chains... at 96%
2wo9
RCSB PDB
PDBbind
164aa, >2WO9_1|Chains... at 96%
2woa
RCSB PDB
PDBbind
164aa, >2WOA_1|Chains... at 96%
3ehx
RCSB PDB
PDBbind
158aa, >3EHX_1|Chain... at 99%
3ehy
RCSB PDB
PDBbind
158aa, >3EHY_1|Chain... at 99%
3f15
RCSB PDB
PDBbind
158aa, >3F15_1|Chain... at 99%
3f16
RCSB PDB
PDBbind
158aa, >3F16_1|Chain... at 99%
3f17
RCSB PDB
PDBbind
158aa, >3F17_1|Chain... at 99%
3f18
RCSB PDB
PDBbind
158aa, >3F18_1|Chain... at 99%
3f19
RCSB PDB
PDBbind
158aa, >3F19_1|Chain... at 99%
3f1a
RCSB PDB
PDBbind
158aa, >3F1A_1|Chain... at 99%
3lik
RCSB PDB
PDBbind
159aa, >3LIK_1|Chain... at 98%
3lil
RCSB PDB
PDBbind
159aa, >3LIL_1|Chain... at 98%
3lir
RCSB PDB
PDBbind
159aa, >3LIR_1|Chain... at 98%
3ljg
RCSB PDB
PDBbind
159aa, >3LJG_1|Chain... at 98%
3lk8
RCSB PDB
PDBbind
158aa, >3LK8_1|Chain... at 99%
3lka
RCSB PDB
PDBbind
158aa, >3LKA_1|Chain... at 99%
3n2u
RCSB PDB
PDBbind
158aa, >3N2U_1|Chain... at 99%
3n2v
RCSB PDB
PDBbind
158aa, >3N2V_1|Chain... at 99%
3nx7
RCSB PDB
PDBbind
158aa, >3NX7_1|Chain... at 99%
3ts4
RCSB PDB
PDBbind
159aa, >3TS4_1|Chain... at 98%
3tsk
RCSB PDB
PDBbind
159aa, >3TSK_1|Chain... at 98%
4efs
RCSB PDB
PDBbind
159aa, >4EFS_1|Chain... at 98%
4gql
RCSB PDB
PDBbind
159aa, >4GQL_1|Chain... at 98%
4gr0
RCSB PDB
PDBbind
159aa, >4GR0_1|Chain... at 98%
4gr3
RCSB PDB
PDBbind
159aa, >4GR3_1|Chain... at 98%
4gr8
RCSB PDB
PDBbind
152aa, >4GR8_1|Chain... at 99%
5cxa
RCSB PDB
PDBbind
159aa, >5CXA_1|Chain... at 98%
5d3c
RCSB PDB
PDBbind
159aa, >5D3C_1|Chain... at 98%
5i0l
RCSB PDB
PDBbind
159aa, >5I0L_1|Chains... at 98%
5i2z
RCSB PDB
PDBbind
159aa, >5I2Z_1|Chains... at 98%
5i3m
RCSB PDB
PDBbind
159aa, >5I3M_1|Chains... at 98%
5i43
RCSB PDB
PDBbind
159aa, >5I43_1|Chains... at 98%
5i4o
RCSB PDB
PDBbind
159aa, >5I4O_1|Chains... at 98%
5l7f
RCSB PDB
PDBbind
159aa, >5L7F_1|Chains... at 98%
6ekn
RCSB PDB
PDBbind
159aa, >6EKN_1|Chain... at 98%
6ela
RCSB PDB
PDBbind
159aa, >6ELA_1|Chains... at 98%
6enm
RCSB PDB
PDBbind
159aa, >6ENM_1|Chains... at 98%
6eox
RCSB PDB
PDBbind
159aa, >6EOX_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4gql
RCSB PDB
PDBbind
R47
Entry Information
PDB ID
5czm
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
catalytic domain of Human MMP12 Mutation: F171D, K241A
Ligand Name
R47
EC.Number
E.C.3.4.24.65
Resolution
1.3(Å)
Affinity (Kd/Ki/IC50)
Kd=4.8nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 403-414
Ligand Properties
Formula
C
3
5
H
3
6
BrClN
4
O
1
0
P
Molecular Weight
819.012
Exact Mass
817.104
No. of atoms
88
No. of bonds
91
Polar Surface Area
255.97
LOGP Value
5.65 (
Computed with XLOGP3
)
5.41 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 18
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 4
Canonical SMILES
OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N)CCC(=O)O)NC(=O)[C@@H](CP(c1ccc(cc1)Br)(O)O)Cc1onc(c1)c1ccc(cc1)c1cccc(c1)Cl
InChI String
InChI=1S/C35H37BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29,49-50,52H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)/t23-,28+,29+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P39900
Entrez Gene ID
NCBI Entrez Gene ID:
4321
ASD
Information of known allosteric effects of PDB entries
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