Browse entries in the PDBbind-CN Database
HEADER 5CXA_COMPLEX COMPND 5CXA_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 UNN A 450 73 ATOM 1 N MET A 105 0.700 19.456 -12.989 1.00 48.40 N ATOM 2 CA MET A 105 1.401 19.312 -14.260 1.00 47.14 C ATOM 3 C MET A 105 2.910 19.419 -14.088 1.00 42.90 C ATOM 4 O MET A 105 3.616 19.869 -14.991 1.00 42.99 O ATOM 5 CB MET A 105 0.907 20.345 -15.275 1.00 50.30 C ATOM 6 CG MET A 105 -0.560 20.210 -15.653 1.00 53.53 C ATOM 7 SD MET A 105 -0.830 19.100 -17.054 1.00 56.44 S ATOM 8 CE MET A 105 -0.920 17.509 -16.241 1.00 57.11 C ATOM 9 HN3 MET A 105 0.917 20.386 -12.578 1.00 0.00 H ATOM 10 HN2 MET A 105 1.009 18.707 -12.337 1.00 0.00 H ATOM 11 HN1 MET A 105 -0.325 19.377 -13.149 1.00 0.00 H ATOM 12 N GLY A 106 3.395 19.030 -12.911 1.00 37.78 N ATOM 13 CA GLY A 106 4.805 18.793 -12.726 1.00 33.11 C ATOM 14 C GLY A 106 5.182 17.405 -13.187 1.00 27.06 C ATOM 15 O GLY A 106 4.349 16.627 -13.672 1.00 25.05 O ATOM 16 H GLY A 106 2.745 18.895 -12.110 1.00 0.00 H ATOM 17 N PRO A 107 6.459 17.070 -13.033 1.00 22.79 N ATOM 18 CA PRO A 107 6.838 15.732 -13.434 1.00 20.20 C ATOM 19 C PRO A 107 6.305 14.706 -12.460 1.00 16.66 C ATOM 20 O PRO A 107 6.033 15.066 -11.352 1.00 17.65 O ATOM 21 CB PRO A 107 8.352 15.745 -13.419 1.00 23.35 C ATOM 22 CG PRO A 107 8.730 16.834 -12.540 1.00 23.87 C ATOM 23 CD PRO A 107 7.576 17.786 -12.397 1.00 24.50 C ATOM 24 N VAL A 108 6.172 13.472 -12.900 1.00 14.15 N ATOM 25 CA VAL A 108 5.702 12.374 -12.064 1.00 13.34 C ATOM 26 C VAL A 108 6.681 11.212 -12.149 1.00 12.44 C ATOM 27 O VAL A 108 7.418 11.065 -13.127 1.00 14.39 O ATOM 28 CB VAL A 108 4.280 11.902 -12.445 1.00 14.66 C ATOM 29 CG1 VAL A 108 3.278 13.037 -12.266 1.00 17.54 C ATOM 30 CG2 VAL A 108 4.243 11.344 -13.869 1.00 15.92 C ATOM 31 H VAL A 108 6.414 13.271 -13.891 1.00 0.00 H ATOM 32 N TRP A 109 6.708 10.397 -11.096 1.00 12.50 N ATOM 33 CA TRP A 109 7.380 9.110 -11.196 1.00 12.77 C ATOM 34 C TRP A 109 6.585 8.213 -12.133 1.00 14.52 C ATOM 35 O TRP A 109 5.356 8.171 -12.070 1.00 16.23 O ATOM 36 CB TRP A 109 7.478 8.452 -9.815 1.00 12.14 C ATOM 37 CG TRP A 109 8.236 9.279 -8.795 1.00 10.81 C ATOM 38 CD1 TRP A 109 7.703 10.052 -7.803 1.00 10.73 C ATOM 39 CD2 TRP A 109 9.658 9.420 -8.691 1.00 10.48 C ATOM 40 NE1 TRP A 109 8.704 10.658 -7.078 1.00 11.93 N ATOM 41 CE2 TRP A 109 9.915 10.289 -7.605 1.00 11.46 C ATOM 42 CE3 TRP A 109 10.739 8.894 -9.404 1.00 12.39 C ATOM 43 CZ2 TRP A 109 11.208 10.644 -7.221 1.00 12.18 C ATOM 44 CZ3 TRP A 109 12.025 9.243 -9.015 1.00 13.39 C ATOM 45 CH2 TRP A 109 12.247 10.114 -7.939 1.00 11.43 C ATOM 46 HE1 TRP A 109 8.565 11.291 -6.265 1.00 0.00 H ATOM 47 H TRP A 109 6.251 10.679 -10.206 1.00 0.00 H ATOM 48 N ARG A 110 7.267 7.521 -13.036 1.00 14.88 N ATOM 49 CA ARG A 110 6.563 6.593 -13.927 1.00 14.83 C ATOM 50 C ARG A 110 6.612 5.169 -13.391 1.00 14.08 C ATOM 51 O ARG A 110 6.921 4.208 -14.094 1.00 15.72 O ATOM 52 CB ARG A 110 7.070 6.697 -15.365 1.00 18.48 C ATOM 53 CG ARG A 110 6.537 7.929 -16.103 1.00 18.16 C ATOM 54 CD ARG A 110 6.567 7.778 -17.620 1.00 19.47 C ATOM 55 NE ARG A 110 7.928 7.692 -18.130 1.00 18.95 N ATOM 56 CZ ARG A 110 8.437 6.631 -18.747 1.00 16.84 C ATOM 57 NH1 ARG A 110 9.693 6.658 -19.167 1.00 16.61 N ATOM 58 NH2 ARG A 110 7.695 5.549 -18.951 1.00 17.71 N ATOM 59 HE ARG A 110 8.545 8.519 -18.002 1.00 0.00 H ATOM 60 HH12 ARG A 110 10.097 5.831 -19.651 1.00 0.00 H ATOM 61 HH11 ARG A 110 10.275 7.506 -19.013 1.00 0.00 H ATOM 62 HH22 ARG A 110 8.102 4.723 -19.435 1.00 0.00 H ATOM 63 HH21 ARG A 110 6.707 5.527 -18.627 1.00 0.00 H ATOM 64 H ARG A 110 8.298 7.636 -13.112 1.00 0.00 H ATOM 65 N LYS A 111 6.305 5.048 -12.101 1.00 11.61 N ATOM 66 CA LYS A 111 6.231 3.766 -11.417 1.00 12.73 C ATOM 67 C LYS A 111 5.510 4.010 -10.103 1.00 13.02 C ATOM 68 O LYS A 111 5.428 5.146 -9.631 1.00 12.81 O ATOM 69 CB LYS A 111 7.628 3.186 -11.162 1.00 12.74 C ATOM 70 CG LYS A 111 8.534 4.086 -10.324 1.00 13.29 C ATOM 71 CD LYS A 111 9.945 3.504 -10.190 1.00 12.04 C ATOM 72 CE LYS A 111 10.854 4.425 -9.378 1.00 11.59 C ATOM 73 NZ LYS A 111 12.234 3.877 -9.259 1.00 11.51 N ATOM 74 HZ1 LYS A 111 12.199 2.952 -8.785 1.00 0.00 H ATOM 75 HZ2 LYS A 111 12.645 3.766 -10.208 1.00 0.00 H ATOM 76 HZ3 LYS A 111 12.819 4.532 -8.701 1.00 0.00 H ATOM 77 H LYS A 111 6.109 5.912 -11.556 1.00 0.00 H ATOM 78 N HIS A 112 4.982 2.935 -9.519 1.00 12.01 N ATOM 79 CA HIS A 112 4.227 3.040 -8.277 1.00 11.29 C ATOM 80 C HIS A 112 4.958 2.467 -7.071 1.00 10.54 C ATOM 81 O HIS A 112 4.398 2.476 -5.967 1.00 12.72 O ATOM 82 CB HIS A 112 2.845 2.386 -8.421 1.00 11.06 C ATOM 83 CG HIS A 112 1.933 3.102 -9.371 1.00 12.12 C ATOM 84 ND1 HIS A 112 0.800 2.516 -9.897 1.00 12.51 N ATOM 85 CD2 HIS A 112 1.974 4.359 -9.875 1.00 11.66 C ATOM 86 CE1 HIS A 112 0.187 3.378 -10.691 1.00 11.21 C ATOM 87 NE2 HIS A 112 0.879 4.503 -10.696 1.00 11.78 N ATOM 88 H HIS A 112 5.111 2.001 -9.959 1.00 0.00 H ATOM 89 N TYR A 113 6.179 1.965 -7.241 1.00 10.48 N ATOM 90 CA TYR A 113 7.024 1.514 -6.139 1.00 10.97 C ATOM 91 C TYR A 113 8.222 2.446 -6.064 1.00 10.41 C ATOM 92 O TYR A 113 9.011 2.523 -7.014 1.00 11.25 O ATOM 93 CB TYR A 113 7.487 0.072 -6.352 1.00 11.91 C ATOM 94 CG TYR A 113 8.503 -0.374 -5.321 1.00 11.44 C ATOM 95 CD1 TYR A 113 8.191 -0.363 -3.962 1.00 12.32 C ATOM 96 CD2 TYR A 113 9.781 -0.785 -5.700 1.00 10.14 C ATOM 97 CE1 TYR A 113 9.118 -0.766 -3.004 1.00 12.29 C ATOM 98 CE2 TYR A 113 10.717 -1.188 -4.752 1.00 10.07 C ATOM 99 CZ TYR A 113 10.379 -1.174 -3.400 1.00 9.80 C ATOM 100 OH TYR A 113 11.299 -1.573 -2.438 1.00 11.21 O ATOM 101 HH TYR A 113 10.889 -1.498 -1.540 1.00 0.00 H ATOM 102 H TYR A 113 6.551 1.890 -8.209 1.00 0.00 H ATOM 103 N ILE A 114 8.357 3.148 -4.942 1.00 9.93 N ATOM 104 CA ILE A 114 9.335 4.219 -4.785 1.00 10.32 C ATOM 105 C ILE A 114 10.104 3.958 -3.501 1.00 10.10 C ATOM 106 O ILE A 114 9.498 3.683 -2.460 1.00 10.85 O ATOM 107 CB ILE A 114 8.623 5.587 -4.721 1.00 9.85 C ATOM 108 CG1 ILE A 114 7.883 5.861 -6.035 1.00 12.62 C ATOM 109 CG2 ILE A 114 9.608 6.719 -4.432 1.00 10.93 C ATOM 110 CD1 ILE A 114 6.867 6.986 -5.952 1.00 13.02 C ATOM 111 H ILE A 114 7.736 2.923 -4.139 1.00 0.00 H ATOM 112 N THR A 115 11.431 4.030 -3.563 1.00 9.20 N ATOM 113 CA THR A 115 12.245 3.850 -2.368 1.00 9.09 C ATOM 114 C THR A 115 12.749 5.184 -1.834 1.00 8.96 C ATOM 115 O THR A 115 12.951 6.148 -2.580 1.00 10.65 O ATOM 116 CB THR A 115 13.435 2.921 -2.622 1.00 9.90 C ATOM 117 OG1 THR A 115 14.189 3.393 -3.750 1.00 10.58 O ATOM 118 CG2 THR A 115 12.950 1.485 -2.841 1.00 11.00 C ATOM 119 HG1 THR A 115 13.608 3.408 -4.551 1.00 0.00 H ATOM 120 H THR A 115 11.893 4.217 -4.476 1.00 0.00 H ATOM 121 N TYR A 116 12.966 5.228 -0.520 1.00 9.05 N ATOM 122 CA TYR A 116 13.613 6.369 0.114 1.00 9.39 C ATOM 123 C TYR A 116 14.749 5.899 1.013 1.00 10.04 C ATOM 124 O TYR A 116 14.780 4.750 1.463 1.00 10.45 O ATOM 125 CB TYR A 116 12.630 7.261 0.878 1.00 8.22 C ATOM 126 CG TYR A 116 12.052 6.680 2.153 1.00 8.59 C ATOM 127 CD1 TYR A 116 10.908 5.881 2.117 1.00 11.18 C ATOM 128 CD2 TYR A 116 12.599 6.988 3.396 1.00 9.74 C ATOM 129 CE1 TYR A 116 10.347 5.392 3.276 1.00 11.23 C ATOM 130 CE2 TYR A 116 12.041 6.503 4.563 1.00 11.21 C ATOM 131 CZ TYR A 116 10.914 5.707 4.499 1.00 10.40 C ATOM 132 OH TYR A 116 10.335 5.220 5.650 1.00 11.69 O ATOM 133 HH TYR A 116 9.544 4.674 5.414 1.00 0.00 H ATOM 134 H TYR A 116 12.665 4.426 0.069 1.00 0.00 H ATOM 135 N ARG A 117 15.692 6.809 1.258 1.00 9.56 N ATOM 136 CA ARG A 117 16.821 6.537 2.135 1.00 9.13 C ATOM 137 C ARG A 117 17.108 7.791 2.939 1.00 9.48 C ATOM 138 O ARG A 117 17.124 8.894 2.383 1.00 10.22 O ATOM 139 CB ARG A 117 18.078 6.149 1.329 1.00 12.29 C ATOM 140 CG ARG A 117 19.329 5.909 2.183 1.00 14.37 C ATOM 141 CD ARG A 117 20.412 5.159 1.410 1.00 17.76 C ATOM 142 NE ARG A 117 21.060 5.978 0.388 1.00 22.06 N ATOM 143 CZ ARG A 117 22.085 6.790 0.625 1.00 25.85 C ATOM 144 NH1 ARG A 117 22.571 6.906 1.853 1.00 27.20 N ATOM 145 NH2 ARG A 117 22.617 7.494 -0.366 1.00 27.13 N ATOM 146 HE ARG A 117 20.697 5.922 -0.585 1.00 0.00 H ATOM 147 HH12 ARG A 117 23.373 7.542 2.037 1.00 0.00 H ATOM 148 HH11 ARG A 117 22.150 6.361 2.632 1.00 0.00 H ATOM 149 HH22 ARG A 117 23.419 8.129 -0.180 1.00 0.00 H ATOM 150 HH21 ARG A 117 22.232 7.410 -1.328 1.00 0.00 H ATOM 151 H ARG A 117 15.618 7.744 0.808 1.00 0.00 H ATOM 152 N ILE A 118 17.331 7.622 4.239 1.00 10.53 N ATOM 153 CA ILE A 118 17.681 8.736 5.115 1.00 10.40 C ATOM 154 C ILE A 118 19.202 8.867 5.121 1.00 11.44 C ATOM 155 O ILE A 118 19.913 8.027 5.677 1.00 12.75 O ATOM 156 CB ILE A 118 17.089 8.566 6.521 1.00 11.62 C ATOM 157 CG1 ILE A 118 15.557 8.468 6.415 1.00 12.96 C ATOM 158 CG2 ILE A 118 17.492 9.742 7.400 1.00 12.76 C ATOM 159 CD1 ILE A 118 14.811 8.264 7.734 1.00 13.85 C ATOM 160 H ILE A 118 17.254 6.667 4.644 1.00 0.00 H ATOM 161 N ASN A 119 19.700 9.921 4.472 1.00 11.00 N ATOM 162 CA ASN A 119 21.140 10.083 4.278 1.00 11.03 C ATOM 163 C ASN A 119 21.851 10.371 5.594 1.00 10.19 C ATOM 164 O ASN A 119 22.994 9.943 5.795 1.00 11.59 O ATOM 165 CB ASN A 119 21.389 11.236 3.300 1.00 11.47 C ATOM 166 CG ASN A 119 22.864 11.609 3.184 1.00 10.90 C ATOM 167 OD1 ASN A 119 23.642 10.911 2.525 1.00 13.14 O ATOM 168 ND2 ASN A 119 23.250 12.726 3.812 1.00 11.51 N ATOM 169 HD22 ASN A 119 22.559 13.282 4.356 1.00 0.00 H ATOM 170 HD21 ASN A 119 24.241 13.038 3.756 1.00 0.00 H ATOM 171 H ASN A 119 19.051 10.642 4.097 1.00 0.00 H ATOM 172 N ASN A 120 21.199 11.112 6.483 1.00 9.59 N ATOM 173 CA ASN A 120 21.797 11.553 7.733 1.00 9.95 C ATOM 174 C ASN A 120 20.668 12.022 8.639 1.00 9.68 C ATOM 175 O ASN A 120 19.540 12.240 8.188 1.00 10.26 O ATOM 176 CB ASN A 120 22.882 12.630 7.523 1.00 8.74 C ATOM 177 CG ASN A 120 22.329 13.962 7.011 1.00 9.60 C ATOM 178 OD1 ASN A 120 21.710 14.034 5.959 1.00 10.24 O ATOM 179 ND2 ASN A 120 22.540 15.021 7.783 1.00 10.42 N ATOM 180 HD22 ASN A 120 23.072 14.919 8.671 1.00 0.00 H ATOM 181 HD21 ASN A 120 22.174 15.952 7.500 1.00 0.00 H ATOM 182 H ASN A 120 20.218 11.389 6.276 1.00 0.00 H ATOM 183 N TYR A 121 20.993 12.182 9.922 1.00 10.41 N ATOM 184 CA TYR A 121 20.014 12.421 10.979 1.00 10.56 C ATOM 185 C TYR A 121 20.317 13.721 11.711 1.00 12.21 C ATOM 186 O TYR A 121 21.459 13.957 12.118 1.00 13.63 O ATOM 187 CB TYR A 121 20.016 11.252 11.980 1.00 11.48 C ATOM 188 CG TYR A 121 19.370 10.002 11.437 1.00 11.85 C ATOM 189 CD1 TYR A 121 20.096 9.099 10.665 1.00 11.51 C ATOM 190 CD2 TYR A 121 18.032 9.722 11.690 1.00 12.70 C ATOM 191 CE1 TYR A 121 19.497 7.960 10.143 1.00 12.03 C ATOM 192 CE2 TYR A 121 17.427 8.583 11.184 1.00 13.13 C ATOM 193 CZ TYR A 121 18.167 7.704 10.417 1.00 11.74 C ATOM 194 OH TYR A 121 17.578 6.578 9.909 1.00 13.47 O ATOM 195 HH TYR A 121 18.245 6.064 9.388 1.00 0.00 H ATOM 196 H TYR A 121 21.998 12.134 10.184 1.00 0.00 H ATOM 197 N THR A 122 19.288 14.548 11.898 1.00 12.11 N ATOM 198 CA THR A 122 19.435 15.738 12.722 1.00 10.94 C ATOM 199 C THR A 122 19.757 15.344 14.162 1.00 11.98 C ATOM 200 O THR A 122 19.180 14.385 14.693 1.00 12.70 O ATOM 201 CB THR A 122 18.157 16.592 12.700 1.00 11.04 C ATOM 202 OG1 THR A 122 18.290 17.657 13.655 1.00 11.42 O ATOM 203 CG2 THR A 122 16.906 15.771 13.043 1.00 12.81 C ATOM 204 HG1 THR A 122 19.071 18.217 13.416 1.00 0.00 H ATOM 205 H THR A 122 18.372 14.341 11.451 1.00 0.00 H ATOM 206 N PRO A 123 20.665 16.058 14.831 1.00 12.62 N ATOM 207 CA PRO A 123 20.866 15.822 16.269 1.00 13.94 C ATOM 208 C PRO A 123 19.731 16.348 17.129 1.00 13.60 C ATOM 209 O PRO A 123 19.726 16.077 18.334 1.00 14.97 O ATOM 210 CB PRO A 123 22.169 16.574 16.568 1.00 15.90 C ATOM 211 CG PRO A 123 22.180 17.680 15.573 1.00 14.92 C ATOM 212 CD PRO A 123 21.567 17.102 14.312 1.00 13.90 C ATOM 213 N ASP A 124 18.774 17.083 16.553 1.00 13.54 N ATOM 214 CA ASP A 124 17.706 17.688 17.349 1.00 13.65 C ATOM 215 C ASP A 124 16.766 16.639 17.938 1.00 14.39 C ATOM 216 O ASP A 124 16.092 16.905 18.942 1.00 15.39 O ATOM 217 CB ASP A 124 16.866 18.636 16.482 1.00 13.22 C ATOM 218 CG ASP A 124 17.685 19.722 15.775 1.00 11.57 C ATOM 219 OD1 ASP A 124 18.874 19.961 16.104 1.00 13.54 O ATOM 220 OD2 ASP A 124 17.103 20.378 14.882 1.00 11.35 O ATOM 221 H ASP A 124 18.789 17.227 15.523 1.00 0.00 H ATOM 222 N MET A 125 16.670 15.471 17.303 1.00 15.44 N ATOM 223 CA MET A 125 15.732 14.417 17.660 1.00 15.66 C ATOM 224 C MET A 125 16.500 13.108 17.708 1.00 17.83 C ATOM 225 O MET A 125 17.593 12.996 17.154 1.00 20.08 O ATOM 226 CB MET A 125 14.640 14.284 16.573 1.00 17.02 C ATOM 227 CG MET A 125 13.766 15.518 16.414 1.00 17.05 C ATOM 228 SD MET A 125 12.701 15.533 14.951 1.00 15.80 S ATOM 229 CE MET A 125 12.045 13.876 15.032 1.00 13.22 C ATOM 230 H MET A 125 17.308 15.302 16.499 1.00 0.00 H ATOM 231 N ASN A 126 15.924 12.095 18.320 1.00 17.05 N ATOM 232 CA ASN A 126 16.627 10.815 18.257 1.00 18.18 C ATOM 233 C ASN A 126 16.285 10.080 16.945 1.00 16.78 C ATOM 234 O ASN A 126 15.339 10.408 16.290 1.00 16.01 O ATOM 235 CB ASN A 126 16.402 9.933 19.480 1.00 20.16 C ATOM 236 CG ASN A 126 14.978 9.538 19.655 1.00 21.65 C ATOM 237 OD1 ASN A 126 14.302 9.126 18.730 1.00 23.02 O ATOM 238 ND2 ASN A 126 14.541 9.594 20.883 1.00 23.66 N ATOM 239 HD22 ASN A 126 15.158 9.954 21.639 1.00 0.00 H ATOM 240 HD21 ASN A 126 13.576 9.278 21.106 1.00 0.00 H ATOM 241 H ASN A 126 15.019 12.200 18.821 1.00 0.00 H ATOM 242 N ARG A 127 17.103 9.097 16.636 1.00 17.08 N ATOM 243 CA ARG A 127 17.023 8.438 15.336 1.00 17.39 C ATOM 244 C ARG A 127 15.673 7.765 15.128 1.00 15.68 C ATOM 245 O ARG A 127 15.109 7.818 14.028 1.00 16.02 O ATOM 246 CB ARG A 127 18.159 7.423 15.206 1.00 19.16 C ATOM 247 CG ARG A 127 18.026 6.462 14.038 1.00 20.77 C ATOM 248 CD ARG A 127 19.176 5.470 14.034 1.00 21.85 C ATOM 249 NE ARG A 127 20.432 6.093 13.628 1.00 22.39 N ATOM 250 CZ ARG A 127 21.048 5.847 12.476 1.00 22.67 C ATOM 251 NH1 ARG A 127 20.528 4.979 11.619 1.00 22.51 N ATOM 252 NH2 ARG A 127 22.187 6.461 12.185 1.00 22.85 N ATOM 253 HE ARG A 127 20.873 6.772 14.281 1.00 0.00 H ATOM 254 HH12 ARG A 127 21.010 4.786 10.718 1.00 0.00 H ATOM 255 HH11 ARG A 127 19.639 4.491 11.848 1.00 0.00 H ATOM 256 HH22 ARG A 127 22.667 6.267 11.283 1.00 0.00 H ATOM 257 HH21 ARG A 127 22.600 7.137 12.859 1.00 0.00 H ATOM 258 H ARG A 127 17.816 8.786 17.327 1.00 0.00 H ATOM 259 N GLU A 128 15.147 7.155 16.186 1.00 14.36 N ATOM 260 CA GLU A 128 13.879 6.436 16.134 1.00 15.50 C ATOM 261 C GLU A 128 12.729 7.371 15.778 1.00 13.44 C ATOM 262 O GLU A 128 11.816 6.996 15.042 1.00 14.28 O ATOM 263 CB GLU A 128 13.600 5.745 17.471 1.00 20.81 C ATOM 264 CG GLU A 128 13.993 6.567 18.688 1.00 28.12 C ATOM 265 CD GLU A 128 15.240 6.040 19.370 1.00 31.50 C ATOM 266 OE1 GLU A 128 16.320 6.071 18.744 1.00 31.51 O ATOM 267 OE2 GLU A 128 15.140 5.594 20.532 1.00 37.22 O ATOM 268 H GLU A 128 15.662 7.192 17.089 1.00 0.00 H ATOM 269 N ASP A 129 12.780 8.591 16.303 1.00 13.34 N ATOM 270 CA ASP A 129 11.741 9.583 16.040 1.00 13.08 C ATOM 271 C ASP A 129 11.864 10.201 14.652 1.00 12.42 C ATOM 272 O ASP A 129 10.844 10.521 14.035 1.00 12.92 O ATOM 273 CB ASP A 129 11.739 10.673 17.115 1.00 13.29 C ATOM 274 CG ASP A 129 11.264 10.163 18.462 1.00 15.60 C ATOM 275 OD1 ASP A 129 10.526 9.155 18.488 1.00 18.71 O ATOM 276 OD2 ASP A 129 11.622 10.765 19.502 1.00 16.96 O ATOM 277 H ASP A 129 13.580 8.846 16.917 1.00 0.00 H ATOM 278 N VAL A 130 13.086 10.380 14.142 1.00 11.50 N ATOM 279 CA VAL A 130 13.242 10.794 12.748 1.00 10.48 C ATOM 280 C VAL A 130 12.658 9.740 11.809 1.00 10.49 C ATOM 281 O VAL A 130 11.863 10.057 10.917 1.00 10.83 O ATOM 282 CB VAL A 130 14.716 11.099 12.428 1.00 9.76 C ATOM 283 CG1 VAL A 130 14.882 11.346 10.935 1.00 11.81 C ATOM 284 CG2 VAL A 130 15.205 12.308 13.226 1.00 10.38 C ATOM 285 H VAL A 130 13.926 10.225 14.736 1.00 0.00 H ATOM 286 N ASP A 131 13.026 8.467 12.015 1.00 10.49 N ATOM 287 CA ASP A 131 12.488 7.383 11.195 1.00 11.47 C ATOM 288 C ASP A 131 10.965 7.379 11.209 1.00 10.20 C ATOM 289 O ASP A 131 10.324 7.223 10.159 1.00 10.63 O ATOM 290 CB ASP A 131 13.002 6.032 11.701 1.00 11.35 C ATOM 291 CG ASP A 131 14.443 5.754 11.303 1.00 13.38 C ATOM 292 OD1 ASP A 131 15.043 6.562 10.560 1.00 13.21 O ATOM 293 OD2 ASP A 131 14.969 4.697 11.719 1.00 17.14 O ATOM 294 H ASP A 131 13.706 8.247 12.771 1.00 0.00 H ATOM 295 N TYR A 132 10.368 7.551 12.395 1.00 10.90 N ATOM 296 CA TYR A 132 8.914 7.499 12.523 1.00 11.01 C ATOM 297 C TYR A 132 8.254 8.663 11.793 1.00 10.86 C ATOM 298 O TYR A 132 7.265 8.474 11.077 1.00 12.60 O ATOM 299 CB TYR A 132 8.538 7.502 14.005 1.00 13.42 C ATOM 300 CG TYR A 132 7.055 7.444 14.299 1.00 17.36 C ATOM 301 CD1 TYR A 132 6.329 6.271 14.113 1.00 18.93 C ATOM 302 CD2 TYR A 132 6.387 8.551 14.808 1.00 19.28 C ATOM 303 CE1 TYR A 132 4.974 6.212 14.401 1.00 20.64 C ATOM 304 CE2 TYR A 132 5.038 8.502 15.099 1.00 20.92 C ATOM 305 CZ TYR A 132 4.335 7.333 14.890 1.00 20.86 C ATOM 306 OH TYR A 132 2.991 7.285 15.182 1.00 23.82 O ATOM 307 HH TYR A 132 2.642 6.382 14.976 1.00 0.00 H ATOM 308 H TYR A 132 10.950 7.725 13.240 1.00 0.00 H ATOM 309 N ALA A 133 8.787 9.877 11.963 1.00 11.06 N ATOM 310 CA ALA A 133 8.193 11.037 11.303 1.00 10.20 C ATOM 311 C ALA A 133 8.211 10.876 9.787 1.00 10.54 C ATOM 312 O ALA A 133 7.210 11.146 9.113 1.00 11.69 O ATOM 313 CB ALA A 133 8.919 12.312 11.728 1.00 11.17 C ATOM 314 H ALA A 133 9.626 9.996 12.566 1.00 0.00 H ATOM 315 N ILE A 134 9.331 10.401 9.236 1.00 10.28 N ATOM 316 CA ILE A 134 9.437 10.233 7.790 1.00 10.04 C ATOM 317 C ILE A 134 8.510 9.122 7.298 1.00 9.03 C ATOM 318 O ILE A 134 7.823 9.277 6.279 1.00 10.00 O ATOM 319 CB ILE A 134 10.906 9.991 7.396 1.00 10.98 C ATOM 320 CG1 ILE A 134 11.785 11.188 7.805 1.00 11.54 C ATOM 321 CG2 ILE A 134 11.019 9.714 5.906 1.00 11.36 C ATOM 322 CD1 ILE A 134 11.360 12.508 7.173 1.00 11.98 C ATOM 323 H ILE A 134 10.136 10.148 9.844 1.00 0.00 H ATOM 324 N ARG A 135 8.477 7.983 8.002 1.00 11.28 N ATOM 325 CA ARG A 135 7.604 6.885 7.594 1.00 11.14 C ATOM 326 C ARG A 135 6.141 7.312 7.596 1.00 10.01 C ATOM 327 O ARG A 135 5.393 7.024 6.652 1.00 10.85 O ATOM 328 CB ARG A 135 7.809 5.683 8.515 1.00 11.62 C ATOM 329 CG ARG A 135 6.930 4.501 8.145 1.00 13.29 C ATOM 330 CD ARG A 135 7.216 3.261 8.988 1.00 16.37 C ATOM 331 NE ARG A 135 6.793 3.404 10.380 1.00 18.88 N ATOM 332 CZ ARG A 135 5.539 3.263 10.804 1.00 22.25 C ATOM 333 NH1 ARG A 135 4.568 2.991 9.939 1.00 24.05 N ATOM 334 NH2 ARG A 135 5.252 3.402 12.096 1.00 24.69 N ATOM 335 HE ARG A 135 7.521 3.631 11.087 1.00 0.00 H ATOM 336 HH12 ARG A 135 3.589 2.881 10.273 1.00 0.00 H ATOM 337 HH11 ARG A 135 4.787 2.888 8.927 1.00 0.00 H ATOM 338 HH22 ARG A 135 4.272 3.292 12.426 1.00 0.00 H ATOM 339 HH21 ARG A 135 6.008 3.621 12.776 1.00 0.00 H ATOM 340 H ARG A 135 9.077 7.880 8.845 1.00 0.00 H ATOM 341 N LYS A 136 5.709 7.994 8.659 1.00 9.66 N ATOM 342 CA LYS A 136 4.325 8.457 8.727 1.00 11.33 C ATOM 343 C LYS A 136 4.023 9.495 7.652 1.00 9.74 C ATOM 344 O LYS A 136 2.902 9.533 7.134 1.00 11.61 O ATOM 345 CB LYS A 136 4.003 9.012 10.119 1.00 14.96 C ATOM 346 CG LYS A 136 4.109 7.986 11.244 1.00 17.01 C ATOM 347 CD LYS A 136 3.130 6.832 11.089 1.00 19.14 C ATOM 348 CE LYS A 136 1.740 7.217 11.552 1.00 23.47 C ATOM 349 NZ LYS A 136 0.824 6.039 11.527 1.00 26.22 N ATOM 350 HZ1 LYS A 136 0.763 5.669 10.557 1.00 0.00 H ATOM 351 HZ2 LYS A 136 1.194 5.300 12.158 1.00 0.00 H ATOM 352 HZ3 LYS A 136 -0.121 6.330 11.849 1.00 0.00 H ATOM 353 H LYS A 136 6.361 8.197 9.443 1.00 0.00 H ATOM 354 N ALA A 137 5.000 10.341 7.300 1.00 10.35 N ATOM 355 CA ALA A 137 4.774 11.333 6.250 1.00 10.56 C ATOM 356 C ALA A 137 4.566 10.676 4.888 1.00 9.49 C ATOM 357 O ALA A 137 3.703 11.107 4.111 1.00 11.75 O ATOM 358 CB ALA A 137 5.930 12.332 6.205 1.00 11.51 C ATOM 359 H ALA A 137 5.924 10.292 7.776 1.00 0.00 H ATOM 360 N PHE A 138 5.343 9.635 4.576 1.00 9.91 N ATOM 361 CA PHE A 138 5.092 8.885 3.346 1.00 9.41 C ATOM 362 C PHE A 138 3.716 8.224 3.372 1.00 8.50 C ATOM 363 O PHE A 138 3.017 8.174 2.348 1.00 10.88 O ATOM 364 CB PHE A 138 6.197 7.846 3.110 1.00 10.46 C ATOM 365 CG PHE A 138 7.426 8.415 2.452 1.00 10.01 C ATOM 366 CD1 PHE A 138 7.395 8.793 1.115 1.00 10.50 C ATOM 367 CD2 PHE A 138 8.607 8.588 3.169 1.00 9.32 C ATOM 368 CE1 PHE A 138 8.511 9.330 0.490 1.00 9.42 C ATOM 369 CE2 PHE A 138 9.748 9.128 2.542 1.00 8.97 C ATOM 370 CZ PHE A 138 9.691 9.492 1.202 1.00 9.07 C ATOM 371 H PHE A 138 6.123 9.359 5.206 1.00 0.00 H ATOM 372 N GLN A 139 3.309 7.720 4.539 1.00 8.99 N ATOM 373 CA GLN A 139 2.042 7.007 4.646 1.00 10.03 C ATOM 374 C GLN A 139 0.858 7.917 4.344 1.00 10.76 C ATOM 375 O GLN A 139 -0.160 7.449 3.829 1.00 12.29 O ATOM 376 CB GLN A 139 1.923 6.405 6.044 1.00 12.12 C ATOM 377 CG GLN A 139 0.724 5.506 6.253 1.00 17.17 C ATOM 378 CD GLN A 139 0.601 5.076 7.696 1.00 22.07 C ATOM 379 OE1 GLN A 139 0.533 5.912 8.597 1.00 24.29 O ATOM 380 NE2 GLN A 139 0.587 3.774 7.926 1.00 25.54 N ATOM 381 HE22 GLN A 139 0.647 3.105 7.132 1.00 0.00 H ATOM 382 HE21 GLN A 139 0.516 3.419 8.901 1.00 0.00 H ATOM 383 H GLN A 139 3.904 7.838 5.384 1.00 0.00 H ATOM 384 N VAL A 140 0.968 9.210 4.667 1.00 10.99 N ATOM 385 CA VAL A 140 -0.090 10.168 4.336 1.00 11.73 C ATOM 386 C VAL A 140 -0.405 10.122 2.843 1.00 10.63 C ATOM 387 O VAL A 140 -1.575 10.122 2.431 1.00 11.29 O ATOM 388 CB VAL A 140 0.326 11.583 4.794 1.00 12.65 C ATOM 389 CG1 VAL A 140 -0.551 12.649 4.174 1.00 15.08 C ATOM 390 CG2 VAL A 140 0.307 11.699 6.323 1.00 12.83 C ATOM 391 H VAL A 140 1.820 9.542 5.162 1.00 0.00 H ATOM 392 N TRP A 141 0.636 10.071 2.007 1.00 10.48 N ATOM 393 CA TRP A 141 0.450 10.094 0.559 1.00 9.56 C ATOM 394 C TRP A 141 0.099 8.721 -0.003 1.00 10.31 C ATOM 395 O TRP A 141 -0.694 8.624 -0.949 1.00 11.28 O ATOM 396 CB TRP A 141 1.682 10.682 -0.132 1.00 10.87 C ATOM 397 CG TRP A 141 1.939 12.122 0.234 1.00 9.77 C ATOM 398 CD1 TRP A 141 2.986 12.599 0.963 1.00 9.63 C ATOM 399 CD2 TRP A 141 1.131 13.267 -0.106 1.00 9.17 C ATOM 400 NE1 TRP A 141 2.896 13.967 1.086 1.00 9.96 N ATOM 401 CE2 TRP A 141 1.765 14.401 0.448 1.00 9.78 C ATOM 402 CE3 TRP A 141 -0.051 13.445 -0.839 1.00 10.12 C ATOM 403 CZ2 TRP A 141 1.249 15.697 0.302 1.00 10.73 C ATOM 404 CZ3 TRP A 141 -0.570 14.734 -0.971 1.00 11.21 C ATOM 405 CH2 TRP A 141 0.089 15.840 -0.413 1.00 10.92 C ATOM 406 HE1 TRP A 141 3.578 14.574 1.584 1.00 0.00 H ATOM 407 H TRP A 141 1.599 10.014 2.396 1.00 0.00 H ATOM 408 N SER A 142 0.675 7.644 0.549 1.00 9.13 N ATOM 409 CA SER A 142 0.299 6.316 0.069 1.00 10.83 C ATOM 410 C SER A 142 -1.161 6.001 0.372 1.00 9.94 C ATOM 411 O SER A 142 -1.792 5.231 -0.364 1.00 10.86 O ATOM 412 CB SER A 142 1.233 5.244 0.633 1.00 10.66 C ATOM 413 OG SER A 142 1.268 5.287 2.046 1.00 11.76 O ATOM 414 HG SER A 142 0.357 5.132 2.402 1.00 0.00 H ATOM 415 H SER A 142 1.379 7.752 1.307 1.00 0.00 H ATOM 416 N ASN A 143 -1.721 6.609 1.425 1.00 10.31 N ATOM 417 CA ASN A 143 -3.108 6.342 1.804 1.00 10.72 C ATOM 418 C ASN A 143 -4.122 6.772 0.753 1.00 10.31 C ATOM 419 O ASN A 143 -5.262 6.298 0.796 1.00 12.81 O ATOM 420 CB ASN A 143 -3.461 7.089 3.094 1.00 13.30 C ATOM 421 CG ASN A 143 -2.954 6.400 4.347 1.00 18.43 C ATOM 422 OD1 ASN A 143 -2.611 5.217 4.337 1.00 20.06 O ATOM 423 ND2 ASN A 143 -2.925 7.147 5.452 1.00 22.16 N ATOM 424 HD22 ASN A 143 -3.224 8.142 5.415 1.00 0.00 H ATOM 425 HD21 ASN A 143 -2.604 6.734 6.351 1.00 0.00 H ATOM 426 H ASN A 143 -1.160 7.283 1.983 1.00 0.00 H ATOM 427 N VAL A 144 -3.753 7.662 -0.174 1.00 9.36 N ATOM 428 CA VAL A 144 -4.720 8.196 -1.133 1.00 9.59 C ATOM 429 C VAL A 144 -4.282 8.019 -2.585 1.00 9.84 C ATOM 430 O VAL A 144 -4.874 8.621 -3.490 1.00 12.01 O ATOM 431 CB VAL A 144 -5.071 9.669 -0.834 1.00 11.34 C ATOM 432 CG1 VAL A 144 -5.772 9.795 0.515 1.00 12.23 C ATOM 433 CG2 VAL A 144 -3.818 10.544 -0.864 1.00 11.16 C ATOM 434 H VAL A 144 -2.763 7.979 -0.214 1.00 0.00 H ATOM 435 N THR A 145 -3.256 7.185 -2.824 1.00 9.37 N ATOM 436 CA THR A 145 -2.732 6.943 -4.171 1.00 8.78 C ATOM 437 C THR A 145 -2.406 5.463 -4.338 1.00 9.18 C ATOM 438 O THR A 145 -2.467 4.702 -3.365 1.00 10.56 O ATOM 439 CB THR A 145 -1.433 7.724 -4.395 1.00 10.36 C ATOM 440 OG1 THR A 145 -0.440 7.259 -3.472 1.00 9.95 O ATOM 441 CG2 THR A 145 -1.652 9.232 -4.228 1.00 11.16 C ATOM 442 HG1 THR A 145 -0.759 7.402 -2.546 1.00 0.00 H ATOM 443 H THR A 145 -2.816 6.692 -2.021 1.00 0.00 H ATOM 444 N PRO A 146 -2.025 5.014 -5.538 1.00 9.56 N ATOM 445 CA PRO A 146 -1.476 3.659 -5.667 1.00 10.18 C ATOM 446 C PRO A 146 -0.019 3.529 -5.250 1.00 9.88 C ATOM 447 O PRO A 146 0.542 2.432 -5.378 1.00 11.67 O ATOM 448 CB PRO A 146 -1.639 3.355 -7.163 1.00 12.21 C ATOM 449 CG PRO A 146 -1.698 4.671 -7.835 1.00 14.05 C ATOM 450 CD PRO A 146 -2.289 5.637 -6.855 1.00 10.82 C ATOM 451 N LEU A 147 0.612 4.595 -4.754 1.00 9.97 N ATOM 452 CA LEU A 147 2.048 4.572 -4.491 1.00 9.94 C ATOM 453 C LEU A 147 2.390 3.799 -3.222 1.00 10.69 C ATOM 454 O LEU A 147 1.688 3.882 -2.208 1.00 10.28 O ATOM 455 CB LEU A 147 2.581 5.999 -4.363 1.00 9.39 C ATOM 456 CG LEU A 147 2.362 6.906 -5.571 1.00 10.52 C ATOM 457 CD1 LEU A 147 2.942 8.292 -5.285 1.00 13.28 C ATOM 458 CD2 LEU A 147 3.008 6.294 -6.792 1.00 11.78 C ATOM 459 H LEU A 147 0.070 5.459 -4.551 1.00 0.00 H ATOM 460 N LYS A 148 3.493 3.057 -3.280 1.00 10.39 N ATOM 461 CA LYS A 148 4.054 2.381 -2.120 1.00 10.38 C ATOM 462 C LYS A 148 5.499 2.815 -1.933 1.00 10.19 C ATOM 463 O LYS A 148 6.239 2.982 -2.909 1.00 11.03 O ATOM 464 CB LYS A 148 3.970 0.857 -2.259 1.00 11.12 C ATOM 465 CG LYS A 148 2.538 0.359 -2.335 1.00 10.06 C ATOM 466 CD LYS A 148 2.443 -1.146 -2.136 1.00 9.79 C ATOM 467 CE LYS A 148 0.987 -1.581 -2.131 1.00 10.49 C ATOM 468 NZ LYS A 148 0.869 -2.991 -1.696 1.00 10.00 N ATOM 469 HZ1 LYS A 148 1.402 -3.600 -2.349 1.00 0.00 H ATOM 470 HZ2 LYS A 148 1.255 -3.090 -0.735 1.00 0.00 H ATOM 471 HZ3 LYS A 148 -0.133 -3.271 -1.699 1.00 0.00 H ATOM 472 H LYS A 148 3.976 2.956 -4.196 1.00 0.00 H ATOM 473 N PHE A 149 5.892 2.990 -0.672 1.00 9.82 N ATOM 474 CA PHE A 149 7.211 3.490 -0.301 1.00 9.83 C ATOM 475 C PHE A 149 7.900 2.501 0.630 1.00 10.13 C ATOM 476 O PHE A 149 7.309 2.059 1.620 1.00 11.33 O ATOM 477 CB PHE A 149 7.083 4.853 0.397 1.00 9.86 C ATOM 478 CG PHE A 149 6.368 5.885 -0.427 1.00 9.64 C ATOM 479 CD1 PHE A 149 7.022 6.522 -1.462 1.00 9.75 C ATOM 480 CD2 PHE A 149 5.039 6.210 -0.170 1.00 9.47 C ATOM 481 CE1 PHE A 149 6.370 7.476 -2.230 1.00 10.52 C ATOM 482 CE2 PHE A 149 4.380 7.164 -0.926 1.00 11.30 C ATOM 483 CZ PHE A 149 5.044 7.796 -1.966 1.00 9.64 C ATOM 484 H PHE A 149 5.222 2.758 0.089 1.00 0.00 H ATOM 485 N SER A 150 9.154 2.173 0.322 1.00 9.51 N ATOM 486 CA SER A 150 9.984 1.334 1.178 1.00 10.39 C ATOM 487 C SER A 150 11.295 2.039 1.487 1.00 10.94 C ATOM 488 O SER A 150 11.915 2.642 0.603 1.00 10.26 O ATOM 489 CB SER A 150 10.304 -0.029 0.539 1.00 11.27 C ATOM 490 OG SER A 150 9.151 -0.848 0.472 1.00 12.59 O ATOM 491 HG SER A 150 8.803 -1.002 1.386 1.00 0.00 H ATOM 492 H SER A 150 9.558 2.531 -0.567 1.00 0.00 H ATOM 493 N LYS A 151 11.708 1.943 2.751 1.00 10.88 N ATOM 494 CA LYS A 151 12.969 2.504 3.216 1.00 11.37 C ATOM 495 C LYS A 151 14.108 1.529 2.939 1.00 10.68 C ATOM 496 O LYS A 151 14.004 0.335 3.245 1.00 12.58 O ATOM 497 CB LYS A 151 12.884 2.786 4.719 1.00 11.97 C ATOM 498 CG LYS A 151 14.145 3.372 5.352 1.00 12.39 C ATOM 499 CD LYS A 151 13.916 3.648 6.838 1.00 14.43 C ATOM 500 CE LYS A 151 15.157 4.190 7.527 1.00 15.26 C ATOM 501 NZ LYS A 151 16.189 3.129 7.688 1.00 17.52 N ATOM 502 HZ1 LYS A 151 15.801 2.354 8.263 1.00 0.00 H ATOM 503 HZ2 LYS A 151 16.460 2.766 6.752 1.00 0.00 H ATOM 504 HZ3 LYS A 151 17.024 3.529 8.161 1.00 0.00 H ATOM 505 H LYS A 151 11.103 1.446 3.435 1.00 0.00 H ATOM 506 N ILE A 152 15.194 2.037 2.352 1.00 9.93 N ATOM 507 CA ILE A 152 16.403 1.249 2.144 1.00 9.34 C ATOM 508 C ILE A 152 17.588 2.000 2.737 1.00 11.37 C ATOM 509 O ILE A 152 17.558 3.221 2.902 1.00 12.56 O ATOM 510 CB ILE A 152 16.647 0.891 0.660 1.00 9.72 C ATOM 511 CG1 ILE A 152 16.981 2.142 -0.169 1.00 10.15 C ATOM 512 CG2 ILE A 152 15.446 0.139 0.080 1.00 10.89 C ATOM 513 CD1 ILE A 152 17.240 1.867 -1.654 1.00 10.89 C ATOM 514 H ILE A 152 15.177 3.027 2.033 1.00 0.00 H ATOM 515 N ASN A 153 18.647 1.246 3.054 1.00 13.25 N ATOM 516 CA ASN A 153 19.816 1.799 3.734 1.00 15.51 C ATOM 517 C ASN A 153 21.062 1.838 2.860 1.00 16.95 C ATOM 518 O ASN A 153 22.063 2.449 3.256 1.00 18.14 O ATOM 519 CB ASN A 153 20.105 1.031 5.035 1.00 17.75 C ATOM 520 CG ASN A 153 18.945 1.099 6.025 1.00 20.63 C ATOM 521 OD1 ASN A 153 18.110 2.006 5.960 1.00 20.57 O ATOM 522 ND2 ASN A 153 18.894 0.146 6.949 1.00 22.88 N ATOM 523 HD22 ASN A 153 19.619 -0.600 6.967 1.00 0.00 H ATOM 524 HD21 ASN A 153 18.129 0.146 7.654 1.00 0.00 H ATOM 525 H ASN A 153 18.638 0.235 2.809 1.00 0.00 H ATOM 526 N THR A 154 21.028 1.190 1.701 1.00 17.84 N ATOM 527 CA THR A 154 22.106 1.205 0.720 1.00 16.53 C ATOM 528 C THR A 154 21.449 1.298 -0.651 1.00 15.89 C ATOM 529 O THR A 154 20.235 1.484 -0.765 1.00 18.17 O ATOM 530 CB THR A 154 22.964 -0.064 0.828 1.00 16.61 C ATOM 531 OG1 THR A 154 22.131 -1.214 0.623 1.00 18.30 O ATOM 532 CG2 THR A 154 23.645 -0.160 2.191 1.00 16.57 C ATOM 533 HG1 THR A 154 21.421 -1.232 1.312 1.00 0.00 H ATOM 534 H THR A 154 20.177 0.636 1.479 1.00 0.00 H ATOM 535 N GLY A 155 22.241 1.159 -1.706 1.00 15.56 N ATOM 536 CA GLY A 155 21.656 1.057 -3.028 1.00 15.69 C ATOM 537 C GLY A 155 21.243 2.402 -3.599 1.00 15.53 C ATOM 538 O GLY A 155 21.796 3.450 -3.266 1.00 17.68 O ATOM 539 H GLY A 155 23.273 1.124 -1.585 1.00 0.00 H ATOM 540 N MET A 156 20.249 2.363 -4.476 1.00 13.49 N ATOM 541 CA MET A 156 19.876 3.512 -5.294 1.00 15.79 C ATOM 542 C MET A 156 18.434 3.873 -4.968 1.00 12.98 C ATOM 543 O MET A 156 17.505 3.418 -5.638 1.00 13.68 O ATOM 544 CB MET A 156 20.035 3.168 -6.757 1.00 20.63 C ATOM 545 CG MET A 156 19.730 4.317 -7.684 1.00 29.09 C ATOM 546 SD MET A 156 20.710 4.214 -9.180 1.00 36.70 S ATOM 547 CE MET A 156 22.352 4.319 -8.479 1.00 35.02 C ATOM 548 H MET A 156 19.714 1.478 -4.585 1.00 0.00 H ATOM 549 N ALA A 157 18.250 4.682 -3.930 1.00 12.06 N ATOM 550 CA ALA A 157 16.920 5.121 -3.548 1.00 9.98 C ATOM 551 C ALA A 157 16.431 6.229 -4.473 1.00 9.65 C ATOM 552 O ALA A 157 17.220 6.998 -5.030 1.00 13.50 O ATOM 553 CB ALA A 157 16.924 5.628 -2.106 1.00 10.66 C ATOM 554 H ALA A 157 19.072 5.006 -3.382 1.00 0.00 H ATOM 555 N ASP A 158 15.108 6.315 -4.627 1.00 9.65 N ATOM 556 CA ASP A 158 14.540 7.395 -5.431 1.00 10.16 C ATOM 557 C ASP A 158 14.594 8.725 -4.689 1.00 9.39 C ATOM 558 O ASP A 158 15.009 9.746 -5.253 1.00 10.35 O ATOM 559 CB ASP A 158 13.101 7.055 -5.828 1.00 10.63 C ATOM 560 CG ASP A 158 13.023 5.797 -6.671 1.00 10.72 C ATOM 561 OD1 ASP A 158 13.628 5.780 -7.755 1.00 12.21 O ATOM 562 OD2 ASP A 158 12.384 4.813 -6.256 1.00 10.95 O ATOM 563 H ASP A 158 14.484 5.616 -4.176 1.00 0.00 H ATOM 564 N ILE A 159 14.163 8.736 -3.431 1.00 8.95 N ATOM 565 CA ILE A 159 14.049 9.956 -2.634 1.00 9.27 C ATOM 566 C ILE A 159 15.074 9.883 -1.504 1.00 9.48 C ATOM 567 O ILE A 159 14.948 9.063 -0.585 1.00 10.53 O ATOM 568 CB ILE A 159 12.621 10.131 -2.089 1.00 8.64 C ATOM 569 CG1 ILE A 159 11.615 10.315 -3.243 1.00 9.52 C ATOM 570 CG2 ILE A 159 12.556 11.267 -1.060 1.00 10.52 C ATOM 571 CD1 ILE A 159 10.148 10.296 -2.787 1.00 11.27 C ATOM 572 H ILE A 159 13.894 7.832 -2.993 1.00 0.00 H ATOM 573 N LEU A 160 16.099 10.728 -1.569 1.00 8.83 N ATOM 574 CA LEU A 160 17.067 10.840 -0.486 1.00 9.91 C ATOM 575 C LEU A 160 16.607 11.944 0.462 1.00 9.48 C ATOM 576 O LEU A 160 16.289 13.053 0.016 1.00 11.57 O ATOM 577 CB LEU A 160 18.449 11.179 -1.054 1.00 13.30 C ATOM 578 CG LEU A 160 19.658 10.940 -0.159 1.00 15.17 C ATOM 579 CD1 LEU A 160 19.763 9.469 0.268 1.00 14.85 C ATOM 580 CD2 LEU A 160 20.923 11.399 -0.874 1.00 16.34 C ATOM 581 H LEU A 160 16.212 11.324 -2.414 1.00 0.00 H ATOM 582 N VAL A 161 16.568 11.637 1.761 1.00 8.56 N ATOM 583 CA VAL A 161 16.219 12.589 2.813 1.00 9.38 C ATOM 584 C VAL A 161 17.514 13.066 3.463 1.00 8.56 C ATOM 585 O VAL A 161 18.308 12.250 3.950 1.00 10.81 O ATOM 586 CB VAL A 161 15.284 11.948 3.854 1.00 9.39 C ATOM 587 CG1 VAL A 161 15.086 12.877 5.062 1.00 10.69 C ATOM 588 CG2 VAL A 161 13.938 11.580 3.208 1.00 10.80 C ATOM 589 H VAL A 161 16.800 10.662 2.040 1.00 0.00 H ATOM 590 N VAL A 162 17.720 14.385 3.486 1.00 8.13 N ATOM 591 CA VAL A 162 18.987 15.001 3.876 1.00 9.49 C ATOM 592 C VAL A 162 18.706 16.149 4.839 1.00 8.40 C ATOM 593 O VAL A 162 17.786 16.945 4.614 1.00 10.28 O ATOM 594 CB VAL A 162 19.729 15.562 2.638 1.00 9.67 C ATOM 595 CG1 VAL A 162 21.006 16.302 3.044 1.00 13.18 C ATOM 596 CG2 VAL A 162 20.022 14.476 1.602 1.00 10.30 C ATOM 597 H VAL A 162 16.935 15.009 3.211 1.00 0.00 H ATOM 598 N PHE A 163 19.509 16.246 5.903 1.00 8.94 N ATOM 599 CA PHE A 163 19.584 17.439 6.740 1.00 10.07 C ATOM 600 C PHE A 163 20.899 18.151 6.442 1.00 8.65 C ATOM 601 O PHE A 163 21.967 17.534 6.503 1.00 10.16 O ATOM 602 CB PHE A 163 19.517 17.083 8.233 1.00 10.15 C ATOM 603 CG PHE A 163 18.194 16.502 8.664 1.00 9.84 C ATOM 604 CD1 PHE A 163 17.968 15.132 8.602 1.00 11.89 C ATOM 605 CD2 PHE A 163 17.189 17.324 9.160 1.00 10.30 C ATOM 606 CE1 PHE A 163 16.751 14.592 8.990 1.00 10.38 C ATOM 607 CE2 PHE A 163 15.969 16.789 9.568 1.00 10.84 C ATOM 608 CZ PHE A 163 15.754 15.427 9.483 1.00 10.74 C ATOM 609 H PHE A 163 20.109 15.432 6.146 1.00 0.00 H ATOM 610 N ALA A 164 20.831 19.438 6.097 1.00 8.95 N ATOM 611 CA ALA A 164 22.043 20.168 5.739 1.00 10.21 C ATOM 612 C ALA A 164 21.891 21.644 6.083 1.00 9.08 C ATOM 613 O ALA A 164 20.804 22.119 6.422 1.00 10.78 O ATOM 614 CB ALA A 164 22.411 19.976 4.265 1.00 12.79 C ATOM 615 H ALA A 164 19.911 19.923 6.083 1.00 0.00 H ATOM 616 N ARG A 165 23.003 22.377 5.959 1.00 10.00 N ATOM 617 CA ARG A 165 23.108 23.745 6.452 1.00 11.00 C ATOM 618 C ARG A 165 23.541 24.698 5.344 1.00 10.38 C ATOM 619 O ARG A 165 24.403 24.356 4.530 1.00 10.69 O ATOM 620 CB ARG A 165 24.165 23.770 7.577 1.00 13.58 C ATOM 621 CG ARG A 165 24.403 25.095 8.232 1.00 14.44 C ATOM 622 CD ARG A 165 25.642 25.039 9.125 1.00 14.19 C ATOM 623 NE ARG A 165 26.870 24.933 8.330 1.00 15.63 N ATOM 624 CZ ARG A 165 27.774 23.963 8.460 1.00 16.85 C ATOM 625 NH1 ARG A 165 28.845 23.951 7.679 1.00 16.94 N ATOM 626 NH2 ARG A 165 27.614 23.004 9.366 1.00 16.85 N ATOM 627 HE ARG A 165 27.048 25.667 7.615 1.00 0.00 H ATOM 628 HH12 ARG A 165 29.552 23.195 7.778 1.00 0.00 H ATOM 629 HH11 ARG A 165 28.978 24.697 6.967 1.00 0.00 H ATOM 630 HH22 ARG A 165 28.326 22.252 9.458 1.00 0.00 H ATOM 631 HH21 ARG A 165 26.776 23.006 9.983 1.00 0.00 H ATOM 632 H ARG A 165 23.829 21.953 5.490 1.00 0.00 H ATOM 633 N GLY A 166 22.946 25.897 5.321 1.00 11.47 N ATOM 634 CA GLY A 166 23.441 26.962 4.454 1.00 9.90 C ATOM 635 C GLY A 166 23.595 26.537 3.005 1.00 10.17 C ATOM 636 O GLY A 166 22.696 25.924 2.408 1.00 11.44 O ATOM 637 H GLY A 166 22.120 26.072 5.929 1.00 0.00 H ATOM 638 N ALA A 167 24.740 26.886 2.416 1.00 10.52 N ATOM 639 CA ALA A 167 25.079 26.448 1.065 1.00 10.31 C ATOM 640 C ALA A 167 25.546 24.998 1.140 1.00 9.90 C ATOM 641 O ALA A 167 26.562 24.697 1.772 1.00 11.00 O ATOM 642 CB ALA A 167 26.156 27.355 0.478 1.00 11.03 C ATOM 643 H ALA A 167 25.411 27.488 2.935 1.00 0.00 H ATOM 644 N HIS A 168 24.782 24.089 0.529 1.00 9.41 N ATOM 645 CA HIS A 168 24.958 22.657 0.753 1.00 11.53 C ATOM 646 C HIS A 168 25.017 21.875 -0.556 1.00 11.25 C ATOM 647 O HIS A 168 24.610 20.708 -0.611 1.00 12.02 O ATOM 648 CB HIS A 168 23.883 22.102 1.696 1.00 10.27 C ATOM 649 CG HIS A 168 22.484 22.298 1.199 1.00 10.84 C ATOM 650 ND1 HIS A 168 21.783 23.470 1.389 1.00 9.70 N ATOM 651 CD2 HIS A 168 21.661 21.476 0.504 1.00 10.36 C ATOM 652 CE1 HIS A 168 20.584 23.358 0.839 1.00 8.13 C ATOM 653 NE2 HIS A 168 20.490 22.160 0.287 1.00 9.49 N ATOM 654 H HIS A 168 24.040 24.410 -0.125 1.00 0.00 H ATOM 655 N GLY A 169 25.515 22.500 -1.620 1.00 11.96 N ATOM 656 CA GLY A 169 25.879 21.792 -2.828 1.00 11.61 C ATOM 657 C GLY A 169 24.855 21.824 -3.935 1.00 12.73 C ATOM 658 O GLY A 169 25.063 21.178 -4.976 1.00 15.27 O ATOM 659 H GLY A 169 25.647 23.531 -1.582 1.00 0.00 H ATOM 660 N ASP A 170 23.756 22.549 -3.750 1.00 13.30 N ATOM 661 CA ASP A 170 22.811 22.752 -4.839 1.00 13.34 C ATOM 662 C ASP A 170 22.544 24.246 -5.017 1.00 16.47 C ATOM 663 O ASP A 170 23.178 25.078 -4.357 1.00 18.68 O ATOM 664 CB ASP A 170 21.538 21.899 -4.648 1.00 12.68 C ATOM 665 CG ASP A 170 20.779 22.222 -3.369 1.00 10.64 C ATOM 666 OD1 ASP A 170 20.803 23.384 -2.914 1.00 12.37 O ATOM 667 OD2 ASP A 170 20.107 21.309 -2.825 1.00 12.44 O ATOM 668 H ASP A 170 23.570 22.975 -2.820 1.00 0.00 H ATOM 669 N ASP A 171 21.615 24.614 -5.888 1.00 19.09 N ATOM 670 CA ASP A 171 21.396 26.027 -6.154 1.00 22.49 C ATOM 671 C ASP A 171 20.365 26.645 -5.228 1.00 20.55 C ATOM 672 O ASP A 171 19.859 27.734 -5.514 1.00 22.48 O ATOM 673 CB ASP A 171 21.030 26.260 -7.620 1.00 26.53 C ATOM 674 CG ASP A 171 22.176 25.951 -8.561 1.00 30.97 C ATOM 675 OD1 ASP A 171 23.345 26.166 -8.177 1.00 32.64 O ATOM 676 OD2 ASP A 171 21.907 25.495 -9.691 1.00 33.84 O ATOM 677 H ASP A 171 21.045 23.896 -6.379 1.00 0.00 H ATOM 678 N HIS A 172 20.057 25.988 -4.116 1.00 15.90 N ATOM 679 CA HIS A 172 19.002 26.432 -3.213 1.00 16.93 C ATOM 680 C HIS A 172 19.549 26.489 -1.785 1.00 14.01 C ATOM 681 O HIS A 172 19.169 25.699 -0.917 1.00 14.76 O ATOM 682 CB HIS A 172 17.763 25.545 -3.348 1.00 20.84 C ATOM 683 CG HIS A 172 17.320 25.352 -4.769 1.00 24.49 C ATOM 684 ND1 HIS A 172 16.480 26.233 -5.416 1.00 24.61 N ATOM 685 CD2 HIS A 172 17.622 24.389 -5.673 1.00 25.35 C ATOM 686 CE1 HIS A 172 16.270 25.813 -6.652 1.00 26.13 C ATOM 687 NE2 HIS A 172 16.953 24.697 -6.834 1.00 26.89 N ATOM 688 H HIS A 172 20.588 25.125 -3.881 1.00 0.00 H ATOM 689 N ALA A 173 20.442 27.448 -1.548 1.00 12.05 N ATOM 690 CA ALA A 173 21.055 27.594 -0.235 1.00 9.94 C ATOM 691 C ALA A 173 20.015 27.917 0.836 1.00 11.02 C ATOM 692 O ALA A 173 19.022 28.605 0.591 1.00 11.59 O ATOM 693 CB ALA A 173 22.104 28.706 -0.267 1.00 12.67 C ATOM 694 H ALA A 173 20.706 28.103 -2.312 1.00 0.00 H ATOM 695 N PHE A 174 20.250 27.401 2.037 1.00 10.89 N ATOM 696 CA PHE A 174 19.430 27.712 3.197 1.00 10.60 C ATOM 697 C PHE A 174 19.897 29.029 3.836 1.00 10.59 C ATOM 698 O PHE A 174 20.920 29.610 3.458 1.00 12.61 O ATOM 699 CB PHE A 174 19.474 26.553 4.192 1.00 10.30 C ATOM 700 CG PHE A 174 18.728 25.314 3.740 1.00 10.02 C ATOM 701 CD1 PHE A 174 17.499 25.403 3.091 1.00 10.49 C ATOM 702 CD2 PHE A 174 19.253 24.054 3.990 1.00 9.13 C ATOM 703 CE1 PHE A 174 16.800 24.251 2.706 1.00 11.17 C ATOM 704 CE2 PHE A 174 18.558 22.895 3.616 1.00 9.43 C ATOM 705 CZ PHE A 174 17.334 22.998 2.965 1.00 9.11 C ATOM 706 H PHE A 174 21.052 26.749 2.152 1.00 0.00 H ATOM 707 N ASP A 175 19.138 29.494 4.840 1.00 11.31 N ATOM 708 CA ASP A 175 19.214 30.880 5.296 1.00 10.49 C ATOM 709 C ASP A 175 19.389 31.002 6.811 1.00 11.14 C ATOM 710 O ASP A 175 19.094 32.065 7.377 1.00 13.20 O ATOM 711 CB ASP A 175 17.985 31.673 4.827 1.00 10.77 C ATOM 712 CG ASP A 175 16.670 31.038 5.264 1.00 10.61 C ATOM 713 OD1 ASP A 175 16.698 29.942 5.870 1.00 11.79 O ATOM 714 OD2 ASP A 175 15.605 31.625 4.974 1.00 12.81 O ATOM 715 H ASP A 175 18.473 28.846 5.309 1.00 0.00 H ATOM 716 N GLY A 176 19.875 29.953 7.483 1.00 11.54 N ATOM 717 CA GLY A 176 19.963 29.970 8.930 1.00 12.26 C ATOM 718 C GLY A 176 18.601 29.761 9.561 1.00 12.16 C ATOM 719 O GLY A 176 17.633 29.383 8.901 1.00 12.96 O ATOM 720 H GLY A 176 20.194 29.113 6.960 1.00 0.00 H ATOM 721 N LYS A 177 18.526 30.018 10.865 1.00 12.72 N ATOM 722 CA LYS A 177 17.293 29.745 11.595 1.00 13.30 C ATOM 723 C LYS A 177 16.179 30.674 11.128 1.00 13.45 C ATOM 724 O LYS A 177 16.369 31.890 11.020 1.00 16.70 O ATOM 725 CB LYS A 177 17.498 29.878 13.105 1.00 16.19 C ATOM 726 CG LYS A 177 16.264 29.457 13.901 1.00 18.14 C ATOM 727 CD LYS A 177 16.529 29.332 15.394 1.00 22.03 C ATOM 728 CE LYS A 177 15.361 28.658 16.100 1.00 23.33 C ATOM 729 NZ LYS A 177 15.817 27.690 17.140 1.00 24.24 N ATOM 730 HZ1 LYS A 177 16.397 26.951 16.694 1.00 0.00 H ATOM 731 HZ2 LYS A 177 16.382 28.191 17.854 1.00 0.00 H ATOM 732 HZ3 LYS A 177 14.989 27.255 17.594 1.00 0.00 H ATOM 733 H LYS A 177 19.348 30.414 11.364 1.00 0.00 H ATOM 734 N GLY A 178 15.016 30.095 10.846 1.00 12.71 N ATOM 735 CA GLY A 178 13.887 30.850 10.335 1.00 13.48 C ATOM 736 C GLY A 178 13.818 30.814 8.822 1.00 12.60 C ATOM 737 O GLY A 178 14.615 30.167 8.142 1.00 12.84 O ATOM 738 H GLY A 178 14.912 29.071 10.996 1.00 0.00 H ATOM 739 N GLY A 179 12.836 31.531 8.276 1.00 12.61 N ATOM 740 CA GLY A 179 12.733 31.632 6.827 1.00 11.81 C ATOM 741 C GLY A 179 12.477 30.282 6.184 1.00 11.30 C ATOM 742 O GLY A 179 11.524 29.580 6.533 1.00 12.02 O ATOM 743 H GLY A 179 12.145 32.017 8.883 1.00 0.00 H ATOM 744 N ILE A 180 13.328 29.920 5.217 1.00 10.91 N ATOM 745 CA ILE A 180 13.226 28.618 4.554 1.00 11.04 C ATOM 746 C ILE A 180 13.426 27.502 5.567 1.00 11.30 C ATOM 747 O ILE A 180 14.421 27.480 6.300 1.00 12.39 O ATOM 748 CB ILE A 180 14.306 28.491 3.466 1.00 12.26 C ATOM 749 CG1 ILE A 180 14.165 29.571 2.389 1.00 13.42 C ATOM 750 CG2 ILE A 180 14.263 27.084 2.840 1.00 14.40 C ATOM 751 CD1 ILE A 180 15.397 29.704 1.492 1.00 14.62 C ATOM 752 H ILE A 180 14.080 30.579 4.929 1.00 0.00 H ATOM 753 N LEU A 181 12.509 26.538 5.578 1.00 10.43 N ATOM 754 CA LEU A 181 12.634 25.378 6.453 1.00 11.13 C ATOM 755 C LEU A 181 13.190 24.153 5.742 1.00 9.79 C ATOM 756 O LEU A 181 13.887 23.345 6.370 1.00 10.03 O ATOM 757 CB LEU A 181 11.266 25.033 7.051 1.00 10.35 C ATOM 758 CG LEU A 181 10.556 26.211 7.720 1.00 11.48 C ATOM 759 CD1 LEU A 181 9.127 25.844 8.059 1.00 14.41 C ATOM 760 CD2 LEU A 181 11.324 26.627 8.956 1.00 13.39 C ATOM 761 H LEU A 181 11.685 26.613 4.948 1.00 0.00 H ATOM 762 N ALA A 182 12.898 23.998 4.454 1.00 9.94 N ATOM 763 CA ALA A 182 13.244 22.805 3.695 1.00 9.27 C ATOM 764 C ALA A 182 12.955 23.107 2.235 1.00 8.60 C ATOM 765 O ALA A 182 12.325 24.115 1.902 1.00 10.39 O ATOM 766 CB ALA A 182 12.417 21.599 4.166 1.00 9.66 C ATOM 767 H ALA A 182 12.398 24.767 3.965 1.00 0.00 H ATOM 768 N HIS A 183 13.424 22.219 1.364 1.00 9.76 N ATOM 769 CA HIS A 183 13.052 22.275 -0.044 1.00 10.30 C ATOM 770 C HIS A 183 13.198 20.878 -0.628 1.00 9.70 C ATOM 771 O HIS A 183 13.865 20.015 -0.048 1.00 11.58 O ATOM 772 CB HIS A 183 13.870 23.316 -0.829 1.00 10.76 C ATOM 773 CG HIS A 183 15.258 22.862 -1.180 1.00 11.41 C ATOM 774 ND1 HIS A 183 15.597 22.427 -2.446 1.00 15.06 N ATOM 775 CD2 HIS A 183 16.382 22.745 -0.431 1.00 16.78 C ATOM 776 CE1 HIS A 183 16.872 22.077 -2.464 1.00 16.10 C ATOM 777 NE2 HIS A 183 17.372 22.264 -1.254 1.00 13.73 N ATOM 778 H HIS A 183 14.068 21.471 1.693 1.00 0.00 H ATOM 779 N ALA A 184 12.562 20.653 -1.776 1.00 9.65 N ATOM 780 CA ALA A 184 12.598 19.322 -2.373 1.00 10.06 C ATOM 781 C ALA A 184 12.539 19.430 -3.888 1.00 10.21 C ATOM 782 O ALA A 184 11.945 20.363 -4.433 1.00 12.26 O ATOM 783 CB ALA A 184 11.467 18.424 -1.853 1.00 11.78 C ATOM 784 H ALA A 184 12.042 21.422 -2.245 1.00 0.00 H ATOM 785 N PHE A 185 13.165 18.467 -4.564 1.00 9.38 N ATOM 786 CA PHE A 185 13.164 18.414 -6.025 1.00 10.03 C ATOM 787 C PHE A 185 12.037 17.517 -6.523 1.00 11.41 C ATOM 788 O PHE A 185 11.727 16.493 -5.911 1.00 11.39 O ATOM 789 CB PHE A 185 14.508 17.889 -6.555 1.00 11.14 C ATOM 790 CG PHE A 185 15.688 18.741 -6.171 1.00 12.45 C ATOM 791 CD1 PHE A 185 16.348 18.549 -4.964 1.00 13.31 C ATOM 792 CD2 PHE A 185 16.144 19.732 -7.023 1.00 13.26 C ATOM 793 CE1 PHE A 185 17.430 19.339 -4.605 1.00 14.86 C ATOM 794 CE2 PHE A 185 17.226 20.520 -6.676 1.00 13.21 C ATOM 795 CZ PHE A 185 17.870 20.328 -5.459 1.00 14.85 C ATOM 796 H PHE A 185 13.671 17.729 -4.035 1.00 0.00 H ATOM 797 N GLY A 186 11.435 17.903 -7.646 1.00 11.40 N ATOM 798 CA GLY A 186 10.422 17.092 -8.284 1.00 12.31 C ATOM 799 C GLY A 186 10.990 15.801 -8.840 1.00 12.41 C ATOM 800 O GLY A 186 12.210 15.620 -8.939 1.00 13.77 O ATOM 801 H GLY A 186 11.700 18.812 -8.076 1.00 0.00 H ATOM 802 N PRO A 187 10.099 14.883 -9.216 1.00 13.14 N ATOM 803 CA PRO A 187 10.526 13.564 -9.703 1.00 12.54 C ATOM 804 C PRO A 187 11.549 13.638 -10.829 1.00 13.42 C ATOM 805 O PRO A 187 11.446 14.459 -11.744 1.00 14.63 O ATOM 806 CB PRO A 187 9.212 12.939 -10.187 1.00 13.45 C ATOM 807 CG PRO A 187 8.185 13.556 -9.277 1.00 14.19 C ATOM 808 CD PRO A 187 8.634 14.980 -9.098 1.00 14.16 C ATOM 809 N GLY A 188 12.530 12.749 -10.760 1.00 14.47 N ATOM 810 CA GLY A 188 13.598 12.673 -11.739 1.00 15.23 C ATOM 811 C GLY A 188 14.739 11.859 -11.180 1.00 14.55 C ATOM 812 O GLY A 188 14.743 11.477 -10.013 1.00 14.81 O ATOM 813 H GLY A 188 12.534 12.075 -9.968 1.00 0.00 H ATOM 814 N SER A 189 15.724 11.591 -12.035 1.00 15.35 N ATOM 815 CA SER A 189 16.885 10.816 -11.624 1.00 16.32 C ATOM 816 C SER A 189 17.830 11.667 -10.780 1.00 16.03 C ATOM 817 O SER A 189 17.769 12.900 -10.785 1.00 16.28 O ATOM 818 CB SER A 189 17.646 10.321 -12.851 1.00 16.67 C ATOM 819 OG SER A 189 18.281 11.405 -13.509 1.00 16.67 O ATOM 820 HG SER A 189 18.918 11.840 -12.888 1.00 0.00 H ATOM 821 H SER A 189 15.663 11.941 -13.012 1.00 0.00 H ATOM 822 N GLY A 190 18.722 10.986 -10.059 1.00 14.56 N ATOM 823 CA GLY A 190 19.740 11.664 -9.270 1.00 14.05 C ATOM 824 C GLY A 190 19.134 12.517 -8.175 1.00 13.66 C ATOM 825 O GLY A 190 18.405 12.025 -7.306 1.00 13.97 O ATOM 826 H GLY A 190 18.689 9.947 -10.061 1.00 0.00 H ATOM 827 N ILE A 191 19.432 13.820 -8.201 1.00 14.00 N ATOM 828 CA ILE A 191 18.925 14.707 -7.156 1.00 15.34 C ATOM 829 C ILE A 191 17.410 14.860 -7.240 1.00 12.61 C ATOM 830 O ILE A 191 16.775 15.289 -6.267 1.00 11.91 O ATOM 831 CB ILE A 191 19.672 16.056 -7.155 1.00 18.19 C ATOM 832 CG1 ILE A 191 19.561 16.739 -5.786 1.00 21.58 C ATOM 833 CG2 ILE A 191 19.132 16.961 -8.251 1.00 17.52 C ATOM 834 CD1 ILE A 191 20.576 17.848 -5.567 1.00 24.50 C ATOM 835 H ILE A 191 20.025 14.203 -8.965 1.00 0.00 H ATOM 836 N GLY A 192 16.810 14.502 -8.376 1.00 12.90 N ATOM 837 CA GLY A 192 15.365 14.497 -8.501 1.00 12.96 C ATOM 838 C GLY A 192 14.705 13.721 -7.378 1.00 11.84 C ATOM 839 O GLY A 192 15.196 12.662 -6.966 1.00 12.23 O ATOM 840 H GLY A 192 17.392 14.220 -9.191 1.00 0.00 H ATOM 841 N GLY A 193 13.598 14.244 -6.853 1.00 11.31 N ATOM 842 CA GLY A 193 12.905 13.618 -5.749 1.00 9.99 C ATOM 843 C GLY A 193 13.467 13.902 -4.369 1.00 10.27 C ATOM 844 O GLY A 193 12.760 13.690 -3.376 1.00 10.20 O ATOM 845 H GLY A 193 13.221 15.129 -7.249 1.00 0.00 H ATOM 846 N ASP A 194 14.712 14.367 -4.259 1.00 9.92 N ATOM 847 CA ASP A 194 15.355 14.444 -2.950 1.00 9.42 C ATOM 848 C ASP A 194 14.777 15.585 -2.104 1.00 9.49 C ATOM 849 O ASP A 194 14.382 16.639 -2.620 1.00 10.80 O ATOM 850 CB ASP A 194 16.871 14.593 -3.104 1.00 10.48 C ATOM 851 CG ASP A 194 17.527 13.385 -3.775 1.00 9.97 C ATOM 852 OD1 ASP A 194 16.829 12.391 -4.125 1.00 10.65 O ATOM 853 OD2 ASP A 194 18.765 13.431 -3.935 1.00 11.30 O ATOM 854 H ASP A 194 15.227 14.676 -5.108 1.00 0.00 H ATOM 855 N ALA A 195 14.727 15.366 -0.785 1.00 9.20 N ATOM 856 CA ALA A 195 14.135 16.310 0.160 1.00 10.02 C ATOM 857 C ALA A 195 15.199 16.738 1.163 1.00 9.89 C ATOM 858 O ALA A 195 15.791 15.889 1.836 1.00 10.24 O ATOM 859 CB ALA A 195 12.939 15.680 0.882 1.00 10.67 C ATOM 860 H ALA A 195 15.129 14.481 -0.415 1.00 0.00 H ATOM 861 N HIS A 196 15.434 18.049 1.259 1.00 9.28 N ATOM 862 CA HIS A 196 16.491 18.628 2.080 1.00 8.74 C ATOM 863 C HIS A 196 15.871 19.487 3.175 1.00 8.81 C ATOM 864 O HIS A 196 15.012 20.327 2.896 1.00 9.72 O ATOM 865 CB HIS A 196 17.415 19.511 1.241 1.00 9.02 C ATOM 866 CG HIS A 196 18.175 18.769 0.190 1.00 8.93 C ATOM 867 ND1 HIS A 196 18.983 19.408 -0.729 1.00 9.10 N ATOM 868 CD2 HIS A 196 18.271 17.443 -0.076 1.00 10.67 C ATOM 869 CE1 HIS A 196 19.546 18.505 -1.517 1.00 11.43 C ATOM 870 NE2 HIS A 196 19.127 17.306 -1.145 1.00 10.49 N ATOM 871 H HIS A 196 14.827 18.696 0.716 1.00 0.00 H ATOM 872 N PHE A 197 16.329 19.295 4.408 1.00 8.88 N ATOM 873 CA PHE A 197 15.798 19.983 5.579 1.00 8.78 C ATOM 874 C PHE A 197 16.900 20.838 6.194 1.00 9.14 C ATOM 875 O PHE A 197 18.033 20.368 6.362 1.00 9.63 O ATOM 876 CB PHE A 197 15.253 18.953 6.586 1.00 9.83 C ATOM 877 CG PHE A 197 14.112 18.126 6.038 1.00 9.51 C ATOM 878 CD1 PHE A 197 14.349 17.017 5.223 1.00 10.37 C ATOM 879 CD2 PHE A 197 12.801 18.484 6.307 1.00 10.78 C ATOM 880 CE1 PHE A 197 13.305 16.284 4.707 1.00 9.33 C ATOM 881 CE2 PHE A 197 11.746 17.745 5.793 1.00 10.21 C ATOM 882 CZ PHE A 197 11.997 16.644 4.991 1.00 10.17 C ATOM 883 H PHE A 197 17.107 18.619 4.545 1.00 0.00 H ATOM 884 N ASP A 198 16.563 22.091 6.529 1.00 8.31 N ATOM 885 CA ASP A 198 17.541 23.064 7.015 1.00 8.27 C ATOM 886 C ASP A 198 17.913 22.735 8.459 1.00 8.90 C ATOM 887 O ASP A 198 17.083 22.871 9.365 1.00 10.28 O ATOM 888 CB ASP A 198 16.932 24.462 6.920 1.00 9.25 C ATOM 889 CG ASP A 198 17.920 25.574 7.271 1.00 9.60 C ATOM 890 OD1 ASP A 198 19.048 25.288 7.723 1.00 10.31 O ATOM 891 OD2 ASP A 198 17.545 26.754 7.098 1.00 10.72 O ATOM 892 H ASP A 198 15.569 22.383 6.440 1.00 0.00 H ATOM 893 N GLU A 199 19.164 22.302 8.686 1.00 9.22 N ATOM 894 CA GLU A 199 19.581 21.934 10.033 1.00 10.14 C ATOM 895 C GLU A 199 19.618 23.127 10.978 1.00 10.09 C ATOM 896 O GLU A 199 19.643 22.936 12.199 1.00 10.89 O ATOM 897 CB GLU A 199 20.938 21.226 10.004 1.00 11.54 C ATOM 898 CG GLU A 199 21.335 20.600 11.339 1.00 12.49 C ATOM 899 CD GLU A 199 20.320 19.577 11.825 1.00 11.38 C ATOM 900 OE1 GLU A 199 20.318 18.463 11.273 1.00 11.90 O ATOM 901 OE2 GLU A 199 19.520 19.883 12.750 1.00 11.71 O ATOM 902 H GLU A 199 19.838 22.229 7.897 1.00 0.00 H ATOM 903 N ASP A 200 19.626 24.353 10.458 1.00 10.43 N ATOM 904 CA ASP A 200 19.573 25.494 11.364 1.00 11.35 C ATOM 905 C ASP A 200 18.198 25.679 11.999 1.00 11.80 C ATOM 906 O ASP A 200 18.059 26.519 12.896 1.00 13.16 O ATOM 907 CB ASP A 200 20.073 26.765 10.666 1.00 12.11 C ATOM 908 CG ASP A 200 21.595 26.801 10.519 1.00 12.15 C ATOM 909 OD1 ASP A 200 22.309 26.229 11.376 1.00 14.62 O ATOM 910 OD2 ASP A 200 22.086 27.429 9.559 1.00 12.09 O ATOM 911 H ASP A 200 19.669 24.493 9.428 1.00 0.00 H ATOM 912 N GLU A 201 17.189 24.916 11.573 1.00 10.34 N ATOM 913 CA GLU A 201 15.947 24.833 12.329 1.00 11.56 C ATOM 914 C GLU A 201 16.093 23.838 13.473 1.00 11.20 C ATOM 915 O GLU A 201 17.022 23.027 13.509 1.00 12.16 O ATOM 916 CB GLU A 201 14.776 24.396 11.446 1.00 11.48 C ATOM 917 CG GLU A 201 14.691 25.134 10.131 1.00 11.95 C ATOM 918 CD GLU A 201 14.661 26.634 10.294 1.00 14.88 C ATOM 919 OE1 GLU A 201 14.204 27.116 11.353 1.00 15.99 O ATOM 920 OE2 GLU A 201 15.099 27.330 9.356 1.00 17.37 O ATOM 921 H GLU A 201 17.291 24.374 10.691 1.00 0.00 H ATOM 922 N PHE A 202 15.156 23.909 14.419 1.00 11.83 N ATOM 923 CA PHE A 202 15.088 22.966 15.538 1.00 11.86 C ATOM 924 C PHE A 202 13.929 22.009 15.272 1.00 12.58 C ATOM 925 O PHE A 202 12.760 22.355 15.483 1.00 13.46 O ATOM 926 CB PHE A 202 14.936 23.661 16.891 1.00 13.52 C ATOM 927 CG PHE A 202 15.045 22.713 18.049 1.00 14.76 C ATOM 928 CD1 PHE A 202 16.234 22.047 18.289 1.00 16.39 C ATOM 929 CD2 PHE A 202 13.962 22.466 18.877 1.00 17.89 C ATOM 930 CE1 PHE A 202 16.352 21.163 19.343 1.00 17.70 C ATOM 931 CE2 PHE A 202 14.066 21.575 19.940 1.00 19.17 C ATOM 932 CZ PHE A 202 15.262 20.921 20.173 1.00 17.49 C ATOM 933 H PHE A 202 14.444 24.665 14.360 1.00 0.00 H ATOM 934 N TRP A 203 14.262 20.805 14.814 1.00 11.45 N ATOM 935 CA TRP A 203 13.266 19.824 14.400 1.00 11.24 C ATOM 936 C TRP A 203 12.710 19.089 15.611 1.00 11.41 C ATOM 937 O TRP A 203 13.459 18.701 16.512 1.00 12.42 O ATOM 938 CB TRP A 203 13.915 18.837 13.429 1.00 10.96 C ATOM 939 CG TRP A 203 14.394 19.559 12.213 1.00 10.91 C ATOM 940 CD1 TRP A 203 15.683 19.917 11.913 1.00 12.37 C ATOM 941 CD2 TRP A 203 13.568 20.098 11.169 1.00 9.85 C ATOM 942 NE1 TRP A 203 15.708 20.621 10.725 1.00 10.58 N ATOM 943 CE2 TRP A 203 14.424 20.746 10.248 1.00 9.74 C ATOM 944 CE3 TRP A 203 12.189 20.080 10.919 1.00 11.69 C ATOM 945 CZ2 TRP A 203 13.938 21.380 9.096 1.00 10.11 C ATOM 946 CZ3 TRP A 203 11.707 20.699 9.773 1.00 11.15 C ATOM 947 CH2 TRP A 203 12.578 21.347 8.879 1.00 10.06 C ATOM 948 HE1 TRP A 203 16.562 20.997 10.265 1.00 0.00 H ATOM 949 H TRP A 203 15.269 20.555 14.749 1.00 0.00 H ATOM 950 N THR A 204 11.385 18.907 15.643 1.00 12.05 N ATOM 951 CA THR A 204 10.738 18.304 16.808 1.00 12.92 C ATOM 952 C THR A 204 9.639 17.329 16.397 1.00 12.58 C ATOM 953 O THR A 204 9.172 17.303 15.253 1.00 12.39 O ATOM 954 CB THR A 204 10.108 19.347 17.745 1.00 15.53 C ATOM 955 OG1 THR A 204 8.918 19.868 17.147 1.00 19.10 O ATOM 956 CG2 THR A 204 11.062 20.488 18.028 1.00 15.85 C ATOM 957 HG1 THR A 204 8.513 20.540 17.751 1.00 0.00 H ATOM 958 H THR A 204 10.807 19.198 14.829 1.00 0.00 H ATOM 959 N THR A 205 9.204 16.546 17.382 1.00 13.53 N ATOM 960 CA THR A 205 8.051 15.663 17.285 1.00 14.45 C ATOM 961 C THR A 205 6.750 16.350 17.683 1.00 17.04 C ATOM 962 O THR A 205 5.707 15.688 17.721 1.00 21.85 O ATOM 963 CB THR A 205 8.233 14.478 18.241 1.00 13.98 C ATOM 964 OG1 THR A 205 8.215 14.969 19.590 1.00 15.42 O ATOM 965 CG2 THR A 205 9.549 13.747 17.980 1.00 15.27 C ATOM 966 HG1 THR A 205 8.332 14.212 20.217 1.00 0.00 H ATOM 967 H THR A 205 9.724 16.567 18.283 1.00 0.00 H ATOM 968 N HIS A 206 6.783 17.637 18.007 1.00 15.53 N ATOM 969 CA HIS A 206 5.683 18.272 18.727 1.00 17.94 C ATOM 970 C HIS A 206 5.476 19.678 18.174 1.00 18.72 C ATOM 971 O HIS A 206 5.849 19.980 17.037 1.00 17.62 O ATOM 972 CB HIS A 206 5.940 18.220 20.244 1.00 20.40 C ATOM 973 CG HIS A 206 7.284 18.747 20.655 1.00 22.78 C ATOM 974 ND1 HIS A 206 7.494 20.067 20.994 1.00 24.30 N ATOM 975 CD2 HIS A 206 8.481 18.129 20.793 1.00 22.43 C ATOM 976 CE1 HIS A 206 8.763 20.240 21.319 1.00 24.08 C ATOM 977 NE2 HIS A 206 9.385 19.079 21.205 1.00 22.57 N ATOM 978 H HIS A 206 7.612 18.206 17.742 1.00 0.00 H ATOM 979 N SER A 207 4.877 20.547 18.994 1.00 21.00 N ATOM 980 CA SER A 207 4.478 21.882 18.563 1.00 22.89 C ATOM 981 C SER A 207 5.605 22.894 18.662 1.00 23.76 C ATOM 982 O SER A 207 5.519 23.956 18.034 1.00 25.00 O ATOM 983 CB SER A 207 3.284 22.382 19.387 1.00 24.26 C ATOM 984 OG SER A 207 3.625 22.584 20.753 1.00 26.48 O ATOM 985 HG SER A 207 2.829 22.905 21.247 1.00 0.00 H ATOM 986 H SER A 207 4.688 20.261 19.976 1.00 0.00 H ATOM 987 N GLY A 208 6.640 22.609 19.452 1.00 21.88 N ATOM 988 CA GLY A 208 7.769 23.505 19.522 1.00 21.41 C ATOM 989 C GLY A 208 8.661 23.368 18.307 1.00 21.27 C ATOM 990 O GLY A 208 8.588 22.396 17.554 1.00 22.67 O ATOM 991 H GLY A 208 6.634 21.738 20.020 1.00 0.00 H ATOM 992 N GLY A 209 9.515 24.366 18.113 1.00 20.36 N ATOM 993 CA GLY A 209 10.417 24.328 16.978 1.00 17.01 C ATOM 994 C GLY A 209 9.663 24.183 15.672 1.00 15.60 C ATOM 995 O GLY A 209 8.605 24.785 15.466 1.00 18.18 O ATOM 996 H GLY A 209 9.537 25.171 18.771 1.00 0.00 H ATOM 997 N THR A 210 10.208 23.363 14.777 1.00 12.34 N ATOM 998 CA THR A 210 9.577 23.049 13.499 1.00 12.56 C ATOM 999 C THR A 210 9.270 21.557 13.493 1.00 12.42 C ATOM 1000 O THR A 210 10.176 20.739 13.672 1.00 13.13 O ATOM 1001 CB THR A 210 10.488 23.426 12.322 1.00 12.28 C ATOM 1002 OG1 THR A 210 10.884 24.802 12.446 1.00 14.55 O ATOM 1003 CG2 THR A 210 9.745 23.258 11.002 1.00 12.67 C ATOM 1004 HG1 THR A 210 10.079 25.378 12.439 1.00 0.00 H ATOM 1005 H THR A 210 11.125 22.926 14.998 1.00 0.00 H ATOM 1006 N ASN A 211 7.996 21.204 13.302 1.00 12.28 N ATOM 1007 CA ASN A 211 7.583 19.805 13.359 1.00 12.02 C ATOM 1008 C ASN A 211 8.074 19.068 12.116 1.00 11.65 C ATOM 1009 O ASN A 211 7.722 19.434 10.989 1.00 11.16 O ATOM 1010 CB ASN A 211 6.061 19.726 13.460 1.00 13.20 C ATOM 1011 CG ASN A 211 5.563 18.306 13.637 1.00 13.53 C ATOM 1012 OD1 ASN A 211 5.233 17.629 12.660 1.00 13.71 O ATOM 1013 ND2 ASN A 211 5.494 17.848 14.888 1.00 14.01 N ATOM 1014 HD22 ASN A 211 5.783 18.456 15.681 1.00 0.00 H ATOM 1015 HD21 ASN A 211 5.151 16.883 15.070 1.00 0.00 H ATOM 1016 H ASN A 211 7.286 21.939 13.109 1.00 0.00 H ATOM 1017 N LEU A 212 8.888 18.027 12.318 1.00 10.88 N ATOM 1018 CA LEU A 212 9.473 17.329 11.175 1.00 10.72 C ATOM 1019 C LEU A 212 8.412 16.639 10.323 1.00 10.72 C ATOM 1020 O LEU A 212 8.462 16.708 9.088 1.00 10.50 O ATOM 1021 CB LEU A 212 10.535 16.324 11.631 1.00 11.14 C ATOM 1022 CG LEU A 212 11.210 15.508 10.515 1.00 10.80 C ATOM 1023 CD1 LEU A 212 11.892 16.410 9.482 1.00 10.74 C ATOM 1024 CD2 LEU A 212 12.211 14.520 11.091 1.00 11.22 C ATOM 1025 H LEU A 212 9.104 17.715 13.286 1.00 0.00 H ATOM 1026 N PHE A 213 7.446 15.967 10.962 1.00 11.86 N ATOM 1027 CA PHE A 213 6.409 15.246 10.222 1.00 10.44 C ATOM 1028 C PHE A 213 5.663 16.167 9.254 1.00 9.87 C ATOM 1029 O PHE A 213 5.518 15.849 8.067 1.00 10.01 O ATOM 1030 CB PHE A 213 5.440 14.567 11.200 1.00 11.13 C ATOM 1031 CG PHE A 213 4.143 14.127 10.571 1.00 11.92 C ATOM 1032 CD1 PHE A 213 4.071 12.957 9.830 1.00 12.59 C ATOM 1033 CD2 PHE A 213 2.992 14.889 10.721 1.00 12.39 C ATOM 1034 CE1 PHE A 213 2.870 12.557 9.254 1.00 11.54 C ATOM 1035 CE2 PHE A 213 1.794 14.495 10.147 1.00 11.91 C ATOM 1036 CZ PHE A 213 1.731 13.333 9.412 1.00 11.67 C ATOM 1037 H PHE A 213 7.432 15.957 12.002 1.00 0.00 H ATOM 1038 N LEU A 214 5.176 17.318 9.745 1.00 10.51 N ATOM 1039 CA LEU A 214 4.402 18.215 8.889 1.00 11.42 C ATOM 1040 C LEU A 214 5.247 18.741 7.738 1.00 11.18 C ATOM 1041 O LEU A 214 4.782 18.802 6.591 1.00 11.48 O ATOM 1042 CB LEU A 214 3.841 19.378 9.711 1.00 13.31 C ATOM 1043 CG LEU A 214 2.760 19.044 10.744 1.00 15.46 C ATOM 1044 CD1 LEU A 214 2.460 20.278 11.584 1.00 15.05 C ATOM 1045 CD2 LEU A 214 1.489 18.539 10.066 1.00 17.83 C ATOM 1046 H LEU A 214 5.350 17.572 10.738 1.00 0.00 H ATOM 1047 N THR A 215 6.490 19.136 8.029 1.00 10.56 N ATOM 1048 CA THR A 215 7.375 19.623 6.979 1.00 9.98 C ATOM 1049 C THR A 215 7.658 18.535 5.951 1.00 10.35 C ATOM 1050 O THR A 215 7.673 18.798 4.742 1.00 10.57 O ATOM 1051 CB THR A 215 8.669 20.153 7.595 1.00 11.20 C ATOM 1052 OG1 THR A 215 8.346 21.120 8.601 1.00 12.54 O ATOM 1053 CG2 THR A 215 9.526 20.816 6.533 1.00 11.19 C ATOM 1054 HG1 THR A 215 7.793 20.693 9.302 1.00 0.00 H ATOM 1055 H THR A 215 6.828 19.096 9.012 1.00 0.00 H ATOM 1056 N ALA A 216 7.858 17.301 6.415 1.00 10.12 N ATOM 1057 CA ALA A 216 8.121 16.184 5.514 1.00 10.44 C ATOM 1058 C ALA A 216 6.911 15.859 4.639 1.00 9.25 C ATOM 1059 O ALA A 216 7.076 15.495 3.468 1.00 10.22 O ATOM 1060 CB ALA A 216 8.575 14.960 6.309 1.00 10.52 C ATOM 1061 H ALA A 216 7.826 17.131 7.441 1.00 0.00 H ATOM 1062 N VAL A 217 5.688 15.955 5.180 1.00 9.96 N ATOM 1063 CA VAL A 217 4.512 15.756 4.330 1.00 9.46 C ATOM 1064 C VAL A 217 4.528 16.750 3.179 1.00 11.17 C ATOM 1065 O VAL A 217 4.325 16.383 2.018 1.00 11.72 O ATOM 1066 CB VAL A 217 3.208 15.848 5.145 1.00 10.07 C ATOM 1067 CG1 VAL A 217 2.007 15.795 4.209 1.00 11.56 C ATOM 1068 CG2 VAL A 217 3.133 14.716 6.166 1.00 10.83 C ATOM 1069 H VAL A 217 5.576 16.168 6.192 1.00 0.00 H ATOM 1070 N HIS A 218 4.794 18.024 3.488 1.00 10.41 N ATOM 1071 CA HIS A 218 4.845 19.054 2.456 1.00 10.15 C ATOM 1072 C HIS A 218 5.942 18.754 1.443 1.00 10.43 C ATOM 1073 O HIS A 218 5.710 18.790 0.227 1.00 10.64 O ATOM 1074 CB HIS A 218 5.063 20.421 3.114 1.00 10.26 C ATOM 1075 CG HIS A 218 5.118 21.567 2.145 1.00 10.32 C ATOM 1076 ND1 HIS A 218 4.049 22.412 1.931 1.00 11.09 N ATOM 1077 CD2 HIS A 218 6.110 22.002 1.328 1.00 10.02 C ATOM 1078 CE1 HIS A 218 4.383 23.319 1.029 1.00 11.51 C ATOM 1079 NE2 HIS A 218 5.629 23.096 0.649 1.00 12.22 N ATOM 1080 H HIS A 218 4.967 18.284 4.480 1.00 0.00 H ATOM 1081 N GLU A 219 7.152 18.458 1.927 1.00 9.95 N ATOM 1082 CA GLU A 219 8.266 18.231 1.012 1.00 9.23 C ATOM 1083 C GLU A 219 8.056 16.981 0.162 1.00 7.97 C ATOM 1084 O GLU A 219 8.356 16.990 -1.039 1.00 9.11 O ATOM 1085 CB GLU A 219 9.595 18.175 1.768 1.00 10.02 C ATOM 1086 CG GLU A 219 9.989 19.482 2.448 1.00 11.06 C ATOM 1087 CD GLU A 219 10.021 20.688 1.507 1.00 11.05 C ATOM 1088 OE1 GLU A 219 9.895 21.824 2.014 1.00 11.67 O ATOM 1089 OE2 GLU A 219 10.163 20.524 0.274 1.00 11.69 O ATOM 1090 H GLU A 219 7.300 18.390 2.954 1.00 0.00 H ATOM 1091 N ILE A 220 7.546 15.898 0.759 1.00 9.11 N ATOM 1092 CA ILE A 220 7.261 14.703 -0.033 1.00 10.10 C ATOM 1093 C ILE A 220 6.225 15.001 -1.114 1.00 10.59 C ATOM 1094 O ILE A 220 6.316 14.475 -2.232 1.00 10.86 O ATOM 1095 CB ILE A 220 6.890 13.507 0.869 1.00 9.38 C ATOM 1096 CG1 ILE A 220 8.108 13.094 1.704 1.00 9.49 C ATOM 1097 CG2 ILE A 220 6.411 12.325 0.044 1.00 11.02 C ATOM 1098 CD1 ILE A 220 7.776 12.196 2.869 1.00 10.29 C ATOM 1099 H ILE A 220 7.353 15.906 1.781 1.00 0.00 H ATOM 1100 N GLY A 221 5.254 15.876 -0.823 1.00 9.75 N ATOM 1101 CA GLY A 221 4.354 16.327 -1.875 1.00 10.15 C ATOM 1102 C GLY A 221 5.100 16.851 -3.087 1.00 9.57 C ATOM 1103 O GLY A 221 4.793 16.483 -4.224 1.00 10.92 O ATOM 1104 H GLY A 221 5.143 16.231 0.148 1.00 0.00 H ATOM 1105 N HIS A 222 6.111 17.705 -2.857 1.00 9.94 N ATOM 1106 CA HIS A 222 6.960 18.173 -3.953 1.00 10.35 C ATOM 1107 C HIS A 222 7.739 17.023 -4.593 1.00 10.17 C ATOM 1108 O HIS A 222 7.889 16.972 -5.822 1.00 11.29 O ATOM 1109 CB HIS A 222 7.950 19.238 -3.465 1.00 11.27 C ATOM 1110 CG HIS A 222 7.339 20.569 -3.143 1.00 11.12 C ATOM 1111 ND1 HIS A 222 6.448 21.217 -3.975 1.00 12.22 N ATOM 1112 CD2 HIS A 222 7.546 21.402 -2.096 1.00 10.09 C ATOM 1113 CE1 HIS A 222 6.116 22.380 -3.439 1.00 12.37 C ATOM 1114 NE2 HIS A 222 6.772 22.519 -2.300 1.00 11.08 N ATOM 1115 H HIS A 222 6.292 18.038 -1.888 1.00 0.00 H ATOM 1116 N SER A 223 8.277 16.107 -3.778 1.00 9.84 N ATOM 1117 CA SER A 223 9.022 14.972 -4.315 1.00 10.04 C ATOM 1118 C SER A 223 8.172 14.104 -5.224 1.00 10.96 C ATOM 1119 O SER A 223 8.725 13.369 -6.048 1.00 12.04 O ATOM 1120 CB SER A 223 9.565 14.096 -3.181 1.00 10.99 C ATOM 1121 OG SER A 223 10.456 14.812 -2.353 1.00 11.33 O ATOM 1122 HG SER A 223 11.220 15.134 -2.893 1.00 0.00 H ATOM 1123 H SER A 223 8.163 16.205 -2.749 1.00 0.00 H ATOM 1124 N LEU A 224 6.848 14.145 -5.068 1.00 11.14 N ATOM 1125 CA LEU A 224 5.933 13.393 -5.914 1.00 9.83 C ATOM 1126 C LEU A 224 5.386 14.214 -7.077 1.00 11.92 C ATOM 1127 O LEU A 224 4.690 13.661 -7.937 1.00 11.42 O ATOM 1128 CB LEU A 224 4.770 12.831 -5.083 1.00 9.76 C ATOM 1129 CG LEU A 224 5.184 11.919 -3.923 1.00 9.87 C ATOM 1130 CD1 LEU A 224 3.963 11.498 -3.113 1.00 10.82 C ATOM 1131 CD2 LEU A 224 5.947 10.698 -4.425 1.00 11.38 C ATOM 1132 H LEU A 224 6.453 14.739 -4.311 1.00 0.00 H ATOM 1133 N GLY A 225 5.689 15.509 -7.133 1.00 11.58 N ATOM 1134 CA GLY A 225 5.322 16.335 -8.271 1.00 12.13 C ATOM 1135 C GLY A 225 4.320 17.434 -7.987 1.00 12.40 C ATOM 1136 O GLY A 225 3.977 18.180 -8.914 1.00 14.38 O ATOM 1137 H GLY A 225 6.203 15.942 -6.340 1.00 0.00 H ATOM 1138 N LEU A 226 3.843 17.596 -6.757 1.00 10.76 N ATOM 1139 CA LEU A 226 2.867 18.634 -6.450 1.00 11.20 C ATOM 1140 C LEU A 226 3.512 20.011 -6.373 1.00 13.22 C ATOM 1141 O LEU A 226 4.670 20.162 -5.972 1.00 13.78 O ATOM 1142 CB LEU A 226 2.191 18.357 -5.106 1.00 13.00 C ATOM 1143 CG LEU A 226 1.278 17.148 -5.021 1.00 13.44 C ATOM 1144 CD1 LEU A 226 0.752 17.037 -3.607 1.00 14.44 C ATOM 1145 CD2 LEU A 226 0.125 17.289 -6.019 1.00 14.05 C ATOM 1146 H LEU A 226 4.174 16.968 -5.997 1.00 0.00 H ATOM 1147 N GLY A 227 2.733 21.019 -6.758 1.00 12.75 N ATOM 1148 CA GLY A 227 3.036 22.409 -6.495 1.00 13.59 C ATOM 1149 C GLY A 227 2.273 22.926 -5.290 1.00 12.14 C ATOM 1150 O GLY A 227 1.792 22.161 -4.445 1.00 13.78 O ATOM 1151 H GLY A 227 1.859 20.795 -7.276 1.00 0.00 H ATOM 1152 N HIS A 228 2.162 24.246 -5.204 1.00 11.62 N ATOM 1153 CA HIS A 228 1.556 24.864 -4.034 1.00 12.32 C ATOM 1154 C HIS A 228 0.051 25.036 -4.179 1.00 11.16 C ATOM 1155 O HIS A 228 -0.490 25.148 -5.287 1.00 13.90 O ATOM 1156 CB HIS A 228 2.222 26.197 -3.709 1.00 13.51 C ATOM 1157 CG HIS A 228 3.545 26.028 -3.037 1.00 13.49 C ATOM 1158 ND1 HIS A 228 4.587 26.918 -3.178 1.00 14.60 N ATOM 1159 CD2 HIS A 228 3.997 25.043 -2.228 1.00 12.91 C ATOM 1160 CE1 HIS A 228 5.624 26.490 -2.478 1.00 13.07 C ATOM 1161 NE2 HIS A 228 5.291 25.354 -1.890 1.00 12.54 N ATOM 1162 H HIS A 228 2.511 24.844 -5.980 1.00 0.00 H ATOM 1163 N SER A 229 -0.620 25.067 -3.030 1.00 14.59 N ATOM 1164 CA SER A 229 -2.060 25.249 -2.939 1.00 15.00 C ATOM 1165 C SER A 229 -2.380 26.661 -2.464 1.00 15.10 C ATOM 1166 O SER A 229 -1.606 27.274 -1.724 1.00 15.15 O ATOM 1167 CB SER A 229 -2.648 24.258 -1.933 1.00 17.04 C ATOM 1168 OG SER A 229 -4.047 24.441 -1.801 1.00 18.24 O ATOM 1169 HG SER A 229 -4.481 24.299 -2.679 1.00 0.00 H ATOM 1170 H SER A 229 -0.084 24.955 -2.146 1.00 0.00 H ATOM 1171 N SER A 230 -3.536 27.168 -2.892 1.00 17.42 N ATOM 1172 CA SER A 230 -4.087 28.404 -2.350 1.00 18.86 C ATOM 1173 C SER A 230 -5.031 28.164 -1.176 1.00 18.71 C ATOM 1174 O SER A 230 -5.510 29.133 -0.575 1.00 20.39 O ATOM 1175 CB SER A 230 -4.820 29.189 -3.446 1.00 22.40 C ATOM 1176 OG SER A 230 -5.867 28.417 -4.010 1.00 25.23 O ATOM 1177 HG SER A 230 -6.516 28.177 -3.302 1.00 0.00 H ATOM 1178 H SER A 230 -4.061 26.666 -3.636 1.00 0.00 H ATOM 1179 N ASP A 231 -5.316 26.910 -0.847 1.00 18.31 N ATOM 1180 CA ASP A 231 -6.190 26.583 0.275 1.00 19.84 C ATOM 1181 C ASP A 231 -5.399 26.710 1.571 1.00 17.83 C ATOM 1182 O ASP A 231 -4.422 25.978 1.760 1.00 16.48 O ATOM 1183 CB ASP A 231 -6.669 25.145 0.108 1.00 22.56 C ATOM 1184 CG ASP A 231 -7.792 24.774 1.057 1.00 25.60 C ATOM 1185 OD1 ASP A 231 -7.788 25.239 2.215 1.00 24.69 O ATOM 1186 OD2 ASP A 231 -8.679 23.995 0.640 1.00 29.94 O ATOM 1187 H ASP A 231 -4.904 26.136 -1.406 1.00 0.00 H ATOM 1188 N PRO A 232 -5.781 27.603 2.491 1.00 18.01 N ATOM 1189 CA PRO A 232 -4.997 27.762 3.730 1.00 18.99 C ATOM 1190 C PRO A 232 -5.012 26.546 4.632 1.00 20.60 C ATOM 1191 O PRO A 232 -4.204 26.486 5.569 1.00 22.90 O ATOM 1192 CB PRO A 232 -5.657 28.958 4.431 1.00 20.00 C ATOM 1193 CG PRO A 232 -6.544 29.578 3.430 1.00 19.35 C ATOM 1194 CD PRO A 232 -6.921 28.534 2.436 1.00 18.25 C ATOM 1195 N LYS A 233 -5.900 25.586 4.402 1.00 19.95 N ATOM 1196 CA LYS A 233 -5.913 24.362 5.188 1.00 21.60 C ATOM 1197 C LYS A 233 -5.189 23.214 4.502 1.00 17.57 C ATOM 1198 O LYS A 233 -5.180 22.101 5.034 1.00 16.82 O ATOM 1199 CB LYS A 233 -7.352 23.963 5.543 1.00 27.01 C ATOM 1200 CG LYS A 233 -8.086 24.993 6.402 1.00 31.06 C ATOM 1201 CD LYS A 233 -7.208 25.494 7.545 1.00 34.69 C ATOM 1202 CE LYS A 233 -7.834 26.679 8.277 1.00 37.75 C ATOM 1203 NZ LYS A 233 -7.913 27.921 7.448 1.00 39.38 N ATOM 1204 HZ1 LYS A 233 -6.955 28.205 7.159 1.00 0.00 H ATOM 1205 HZ2 LYS A 233 -8.491 27.736 6.603 1.00 0.00 H ATOM 1206 HZ3 LYS A 233 -8.347 28.683 8.007 1.00 0.00 H ATOM 1207 H LYS A 233 -6.601 25.712 3.644 1.00 0.00 H ATOM 1208 N ALA A 234 -4.566 23.461 3.353 1.00 15.01 N ATOM 1209 CA ALA A 234 -3.843 22.428 2.623 1.00 14.01 C ATOM 1210 C ALA A 234 -2.402 22.325 3.104 1.00 12.26 C ATOM 1211 O ALA A 234 -1.751 23.338 3.384 1.00 12.98 O ATOM 1212 CB ALA A 234 -3.850 22.733 1.124 1.00 15.68 C ATOM 1213 H ALA A 234 -4.596 24.424 2.962 1.00 0.00 H ATOM 1214 N VAL A 235 -1.900 21.090 3.190 1.00 11.90 N ATOM 1215 CA VAL A 235 -0.502 20.892 3.559 1.00 10.80 C ATOM 1216 C VAL A 235 0.438 21.477 2.513 1.00 10.95 C ATOM 1217 O VAL A 235 1.586 21.801 2.832 1.00 12.37 O ATOM 1218 CB VAL A 235 -0.197 19.402 3.868 1.00 11.73 C ATOM 1219 CG1 VAL A 235 -0.073 18.595 2.584 1.00 11.55 C ATOM 1220 CG2 VAL A 235 1.064 19.278 4.703 1.00 12.35 C ATOM 1221 H VAL A 235 -2.506 20.268 2.994 1.00 0.00 H ATOM 1222 N MET A 236 -0.018 21.622 1.265 1.00 10.64 N ATOM 1223 CA MET A 236 0.788 22.226 0.210 1.00 11.20 C ATOM 1224 C MET A 236 0.673 23.749 0.146 1.00 12.60 C ATOM 1225 O MET A 236 1.175 24.349 -0.810 1.00 11.91 O ATOM 1226 CB MET A 236 0.487 21.591 -1.150 1.00 11.59 C ATOM 1227 CG MET A 236 0.787 20.087 -1.209 1.00 11.00 C ATOM 1228 SD MET A 236 2.458 19.617 -0.649 1.00 11.17 S ATOM 1229 CE MET A 236 3.526 20.601 -1.707 1.00 12.99 C ATOM 1230 H MET A 236 -0.979 21.294 1.039 1.00 0.00 H ATOM 1231 N PHE A 237 0.039 24.386 1.135 1.00 12.50 N ATOM 1232 CA PHE A 237 0.121 25.837 1.255 1.00 11.94 C ATOM 1233 C PHE A 237 1.590 26.222 1.465 1.00 11.83 C ATOM 1234 O PHE A 237 2.358 25.447 2.045 1.00 12.62 O ATOM 1235 CB PHE A 237 -0.740 26.300 2.433 1.00 14.20 C ATOM 1236 CG PHE A 237 -1.036 27.781 2.440 1.00 15.05 C ATOM 1237 CD1 PHE A 237 -1.993 28.318 1.590 1.00 14.19 C ATOM 1238 CD2 PHE A 237 -0.363 28.632 3.300 1.00 15.51 C ATOM 1239 CE1 PHE A 237 -2.265 29.678 1.592 1.00 14.85 C ATOM 1240 CE2 PHE A 237 -0.624 29.994 3.305 1.00 17.22 C ATOM 1241 CZ PHE A 237 -1.581 30.517 2.455 1.00 16.26 C ATOM 1242 H PHE A 237 -0.518 23.842 1.825 1.00 0.00 H ATOM 1243 N PRO A 238 2.020 27.394 0.968 1.00 13.16 N ATOM 1244 CA PRO A 238 3.468 27.690 0.951 1.00 13.95 C ATOM 1245 C PRO A 238 4.101 27.881 2.322 1.00 13.82 C ATOM 1246 O PRO A 238 5.312 27.650 2.465 1.00 15.03 O ATOM 1247 CB PRO A 238 3.570 28.975 0.115 1.00 15.18 C ATOM 1248 CG PRO A 238 2.302 29.069 -0.625 1.00 17.09 C ATOM 1249 CD PRO A 238 1.249 28.346 0.149 1.00 14.39 C ATOM 1250 N THR A 239 3.346 28.325 3.325 1.00 13.88 N ATOM 1251 CA THR A 239 3.910 28.660 4.624 1.00 14.37 C ATOM 1252 C THR A 239 3.493 27.653 5.689 1.00 14.75 C ATOM 1253 O THR A 239 2.353 27.167 5.697 1.00 14.72 O ATOM 1254 CB THR A 239 3.550 30.090 5.058 1.00 17.52 C ATOM 1255 OG1 THR A 239 2.131 30.270 5.014 1.00 19.43 O ATOM 1256 CG2 THR A 239 4.216 31.118 4.139 1.00 18.50 C ATOM 1257 HG1 THR A 239 1.698 29.624 5.627 1.00 0.00 H ATOM 1258 H THR A 239 2.323 28.436 3.176 1.00 0.00 H ATOM 1259 N TYR A 240 4.445 27.343 6.569 1.00 12.94 N ATOM 1260 CA TYR A 240 4.258 26.365 7.630 1.00 13.21 C ATOM 1261 C TYR A 240 3.279 26.860 8.687 1.00 15.74 C ATOM 1262 O TYR A 240 3.262 28.041 9.055 1.00 17.02 O ATOM 1263 CB TYR A 240 5.615 26.095 8.287 1.00 13.29 C ATOM 1264 CG TYR A 240 5.597 25.253 9.552 1.00 14.49 C ATOM 1265 CD1 TYR A 240 5.394 25.833 10.799 1.00 16.94 C ATOM 1266 CD2 TYR A 240 5.816 23.884 9.501 1.00 13.96 C ATOM 1267 CE1 TYR A 240 5.386 25.073 11.954 1.00 16.22 C ATOM 1268 CE2 TYR A 240 5.814 23.112 10.655 1.00 14.76 C ATOM 1269 CZ TYR A 240 5.600 23.713 11.878 1.00 15.03 C ATOM 1270 OH TYR A 240 5.591 22.956 13.030 1.00 15.37 O ATOM 1271 HH TYR A 240 5.425 23.544 13.809 1.00 0.00 H ATOM 1272 H TYR A 240 5.365 27.823 6.494 1.00 0.00 H ATOM 1273 N ALA A 241 2.466 25.934 9.184 1.00 16.72 N ATOM 1274 CA ALA A 241 1.653 26.136 10.371 1.00 18.08 C ATOM 1275 C ALA A 241 1.635 24.826 11.138 1.00 18.01 C ATOM 1276 O ALA A 241 1.596 23.750 10.533 1.00 18.57 O ATOM 1277 CB ALA A 241 0.212 26.518 10.008 1.00 20.68 C ATOM 1278 H ALA A 241 2.409 25.016 8.698 1.00 0.00 H ATOM 1279 N TYR A 242 1.673 24.912 12.467 1.00 18.31 N ATOM 1280 CA TYR A 242 1.531 23.711 13.276 1.00 19.22 C ATOM 1281 C TYR A 242 0.059 23.373 13.454 1.00 21.08 C ATOM 1282 O TYR A 242 -0.756 24.244 13.777 1.00 22.46 O ATOM 1283 CB TYR A 242 2.186 23.851 14.648 1.00 18.90 C ATOM 1284 CG TYR A 242 2.009 22.579 15.449 1.00 18.15 C ATOM 1285 CD1 TYR A 242 2.819 21.475 15.214 1.00 19.10 C ATOM 1286 CD2 TYR A 242 1.003 22.464 16.397 1.00 17.65 C ATOM 1287 CE1 TYR A 242 2.649 20.303 15.917 1.00 20.72 C ATOM 1288 CE2 TYR A 242 0.821 21.292 17.102 1.00 18.51 C ATOM 1289 CZ TYR A 242 1.651 20.213 16.859 1.00 21.58 C ATOM 1290 OH TYR A 242 1.485 19.037 17.558 1.00 25.07 O ATOM 1291 HH TYR A 242 2.160 18.378 17.258 1.00 0.00 H ATOM 1292 H TYR A 242 1.804 25.836 12.925 1.00 0.00 H ATOM 1293 N VAL A 243 -0.275 22.107 13.238 1.00 21.32 N ATOM 1294 CA VAL A 243 -1.577 21.561 13.587 1.00 23.20 C ATOM 1295 C VAL A 243 -1.336 20.279 14.363 1.00 23.43 C ATOM 1296 O VAL A 243 -0.332 19.588 14.153 1.00 23.62 O ATOM 1297 CB VAL A 243 -2.471 21.305 12.351 1.00 25.20 C ATOM 1298 CG1 VAL A 243 -2.651 22.587 11.547 1.00 25.94 C ATOM 1299 CG2 VAL A 243 -1.885 20.205 11.482 1.00 25.53 C ATOM 1300 H VAL A 243 0.426 21.477 12.799 1.00 0.00 H ATOM 1301 N ASP A 244 -2.249 19.984 15.291 1.00 25.52 N ATOM 1302 CA ASP A 244 -2.205 18.755 16.072 1.00 27.60 C ATOM 1303 C ASP A 244 -1.927 17.583 15.139 1.00 27.60 C ATOM 1304 O ASP A 244 -2.790 17.197 14.346 1.00 25.62 O ATOM 1305 CB ASP A 244 -3.540 18.559 16.802 1.00 31.30 C ATOM 1306 CG ASP A 244 -3.516 17.399 17.781 1.00 34.16 C ATOM 1307 OD1 ASP A 244 -2.562 16.593 17.754 1.00 34.38 O ATOM 1308 OD2 ASP A 244 -4.468 17.293 18.584 1.00 36.56 O ATOM 1309 H ASP A 244 -3.022 20.658 15.463 1.00 0.00 H ATOM 1310 N ILE A 245 -0.755 16.964 15.234 1.00 28.46 N ATOM 1311 CA ILE A 245 -0.376 15.897 14.315 1.00 29.08 C ATOM 1312 C ILE A 245 -1.115 14.603 14.636 1.00 29.53 C ATOM 1313 O ILE A 245 -1.159 13.683 13.820 1.00 29.38 O ATOM 1314 CB ILE A 245 1.141 15.634 14.351 1.00 29.06 C ATOM 1315 CG1 ILE A 245 1.588 15.287 15.773 1.00 29.25 C ATOM 1316 CG2 ILE A 245 1.904 16.840 13.827 1.00 28.37 C ATOM 1317 CD1 ILE A 245 1.838 13.811 15.991 1.00 29.04 C ATOM 1318 H ILE A 245 -0.091 17.248 15.983 1.00 0.00 H ATOM 1319 N ASN A 246 -1.781 14.598 15.785 1.00 29.31 N ATOM 1320 CA ASN A 246 -2.560 13.399 16.070 1.00 31.53 C ATOM 1321 C ASN A 246 -3.843 13.363 15.246 1.00 30.71 C ATOM 1322 O ASN A 246 -4.359 12.291 14.930 1.00 32.60 O ATOM 1323 CB ASN A 246 -2.890 13.316 17.562 1.00 35.32 C ATOM 1324 CG ASN A 246 -1.649 13.307 18.433 1.00 39.18 C ATOM 1325 OD1 ASN A 246 -0.807 12.416 18.324 1.00 40.72 O ATOM 1326 ND2 ASN A 246 -1.531 14.302 19.305 1.00 40.16 N ATOM 1327 HD22 ASN A 246 -2.268 15.034 19.362 1.00 0.00 H ATOM 1328 HD21 ASN A 246 -0.702 14.350 19.931 1.00 0.00 H ATOM 1329 H ASN A 246 -1.749 15.403 16.443 1.00 0.00 H ATOM 1330 N THR A 247 -4.353 14.541 14.902 1.00 27.33 N ATOM 1331 CA THR A 247 -5.576 14.646 14.115 1.00 26.05 C ATOM 1332 C THR A 247 -5.319 15.219 12.728 1.00 25.51 C ATOM 1333 O THR A 247 -6.273 15.619 12.044 1.00 25.11 O ATOM 1334 CB THR A 247 -6.606 15.511 14.846 1.00 27.27 C ATOM 1335 OG1 THR A 247 -6.117 16.855 14.943 1.00 27.75 O ATOM 1336 CG2 THR A 247 -6.863 14.966 16.246 1.00 27.24 C ATOM 1337 HG1 THR A 247 -5.967 17.217 14.034 1.00 0.00 H ATOM 1338 H THR A 247 -3.867 15.410 15.202 1.00 0.00 H ATOM 1339 N PHE A 248 -4.059 15.276 12.298 1.00 23.45 N ATOM 1340 CA PHE A 248 -3.742 15.848 10.999 1.00 21.82 C ATOM 1341 C PHE A 248 -4.467 15.101 9.891 1.00 21.08 C ATOM 1342 O PHE A 248 -4.593 13.873 9.925 1.00 21.95 O ATOM 1343 CB PHE A 248 -2.235 15.763 10.743 1.00 20.10 C ATOM 1344 CG PHE A 248 -1.860 16.001 9.311 1.00 18.21 C ATOM 1345 CD1 PHE A 248 -1.731 17.291 8.832 1.00 19.14 C ATOM 1346 CD2 PHE A 248 -1.657 14.939 8.434 1.00 17.79 C ATOM 1347 CE1 PHE A 248 -1.401 17.528 7.509 1.00 19.81 C ATOM 1348 CE2 PHE A 248 -1.321 15.172 7.109 1.00 19.60 C ATOM 1349 CZ PHE A 248 -1.198 16.470 6.647 1.00 19.99 C ATOM 1350 H PHE A 248 -3.294 14.907 12.898 1.00 0.00 H ATOM 1351 N ARG A 249 -4.949 15.841 8.897 1.00 18.70 N ATOM 1352 CA ARG A 249 -5.455 15.194 7.697 1.00 17.72 C ATOM 1353 C ARG A 249 -5.219 16.086 6.489 1.00 16.89 C ATOM 1354 O ARG A 249 -5.302 17.315 6.581 1.00 17.18 O ATOM 1355 CB ARG A 249 -6.929 14.781 7.811 1.00 19.62 C ATOM 1356 CG ARG A 249 -7.921 15.913 7.960 1.00 21.52 C ATOM 1357 CD ARG A 249 -9.260 15.360 8.438 1.00 23.19 C ATOM 1358 NE ARG A 249 -9.813 14.356 7.528 1.00 24.55 N ATOM 1359 CZ ARG A 249 -10.757 13.480 7.866 1.00 25.08 C ATOM 1360 NH1 ARG A 249 -11.205 12.602 6.977 1.00 24.16 N ATOM 1361 NH2 ARG A 249 -11.247 13.474 9.098 1.00 25.78 N ATOM 1362 HE ARG A 249 -9.445 14.325 6.556 1.00 0.00 H ATOM 1363 HH12 ARG A 249 -11.942 11.920 7.246 1.00 0.00 H ATOM 1364 HH11 ARG A 249 -10.819 12.596 6.011 1.00 0.00 H ATOM 1365 HH22 ARG A 249 -11.984 12.789 9.361 1.00 0.00 H ATOM 1366 HH21 ARG A 249 -10.894 14.154 9.801 1.00 0.00 H ATOM 1367 H ARG A 249 -4.964 16.878 8.977 1.00 0.00 H ATOM 1368 N LEU A 250 -4.899 15.450 5.366 1.00 16.12 N ATOM 1369 CA LEU A 250 -4.778 16.160 4.105 1.00 13.18 C ATOM 1370 C LEU A 250 -6.083 16.883 3.815 1.00 12.31 C ATOM 1371 O LEU A 250 -7.170 16.388 4.128 1.00 14.40 O ATOM 1372 CB LEU A 250 -4.549 15.166 2.969 1.00 12.79 C ATOM 1373 CG LEU A 250 -3.214 14.449 2.863 1.00 13.17 C ATOM 1374 CD1 LEU A 250 -3.253 13.429 1.731 1.00 13.89 C ATOM 1375 CD2 LEU A 250 -2.097 15.456 2.646 1.00 13.28 C ATOM 1376 H LEU A 250 -4.732 14.424 5.391 1.00 0.00 H ATOM 1377 N SER A 251 -5.978 18.059 3.213 1.00 13.75 N ATOM 1378 CA SER A 251 -7.182 18.729 2.753 1.00 14.30 C ATOM 1379 C SER A 251 -7.692 18.068 1.477 1.00 13.01 C ATOM 1380 O SER A 251 -6.968 17.338 0.789 1.00 12.41 O ATOM 1381 CB SER A 251 -6.897 20.200 2.478 1.00 16.29 C ATOM 1382 OG SER A 251 -6.161 20.336 1.282 1.00 17.93 O ATOM 1383 HG SER A 251 -5.303 19.849 1.366 1.00 0.00 H ATOM 1384 H SER A 251 -5.045 18.497 3.072 1.00 0.00 H ATOM 1385 N ALA A 252 -8.962 18.333 1.165 1.00 13.03 N ATOM 1386 CA ALA A 252 -9.519 17.834 -0.088 1.00 13.28 C ATOM 1387 C ALA A 252 -8.738 18.340 -1.296 1.00 12.76 C ATOM 1388 O ALA A 252 -8.675 17.653 -2.320 1.00 13.08 O ATOM 1389 CB ALA A 252 -10.997 18.211 -0.198 1.00 14.62 C ATOM 1390 H ALA A 252 -9.553 18.893 1.812 1.00 0.00 H ATOM 1391 N ASP A 253 -8.133 19.531 -1.205 1.00 11.40 N ATOM 1392 CA ASP A 253 -7.335 20.027 -2.323 1.00 11.61 C ATOM 1393 C ASP A 253 -6.052 19.219 -2.499 1.00 11.33 C ATOM 1394 O ASP A 253 -5.629 18.963 -3.634 1.00 13.27 O ATOM 1395 CB ASP A 253 -7.001 21.504 -2.149 1.00 13.23 C ATOM 1396 CG ASP A 253 -6.204 22.046 -3.322 1.00 13.12 C ATOM 1397 OD1 ASP A 253 -6.780 22.134 -4.429 1.00 15.95 O ATOM 1398 OD2 ASP A 253 -5.002 22.358 -3.155 1.00 14.73 O ATOM 1399 H ASP A 253 -8.231 20.101 -0.341 1.00 0.00 H ATOM 1400 N ASP A 254 -5.410 18.822 -1.389 1.00 11.39 N ATOM 1401 CA ASP A 254 -4.219 17.974 -1.472 1.00 11.51 C ATOM 1402 C ASP A 254 -4.543 16.636 -2.124 1.00 11.27 C ATOM 1403 O ASP A 254 -3.769 16.132 -2.951 1.00 12.51 O ATOM 1404 CB ASP A 254 -3.640 17.720 -0.072 1.00 10.79 C ATOM 1405 CG ASP A 254 -3.159 18.986 0.627 1.00 11.58 C ATOM 1406 OD1 ASP A 254 -2.392 19.771 0.031 1.00 11.25 O ATOM 1407 OD2 ASP A 254 -3.540 19.186 1.803 1.00 12.89 O ATOM 1408 H ASP A 254 -5.763 19.121 -0.458 1.00 0.00 H ATOM 1409 N ILE A 255 -5.658 16.021 -1.720 1.00 11.96 N ATOM 1410 CA ILE A 255 -6.045 14.722 -2.257 1.00 12.59 C ATOM 1411 C ILE A 255 -6.377 14.841 -3.737 1.00 12.11 C ATOM 1412 O ILE A 255 -5.975 13.996 -4.549 1.00 12.02 O ATOM 1413 CB ILE A 255 -7.200 14.131 -1.423 1.00 13.30 C ATOM 1414 CG1 ILE A 255 -6.706 13.842 0.000 1.00 14.89 C ATOM 1415 CG2 ILE A 255 -7.766 12.856 -2.080 1.00 12.41 C ATOM 1416 CD1 ILE A 255 -7.805 13.735 1.026 1.00 16.61 C ATOM 1417 H ILE A 255 -6.262 16.478 -1.008 1.00 0.00 H ATOM 1418 N ARG A 256 -7.096 15.902 -4.113 1.00 12.36 N ATOM 1419 CA ARG A 256 -7.332 16.180 -5.525 1.00 12.70 C ATOM 1420 C ARG A 256 -6.018 16.289 -6.295 1.00 12.68 C ATOM 1421 O ARG A 256 -5.854 15.682 -7.361 1.00 12.41 O ATOM 1422 CB ARG A 256 -8.139 17.472 -5.663 1.00 14.28 C ATOM 1423 CG ARG A 256 -8.630 17.740 -7.075 1.00 17.34 C ATOM 1424 CD ARG A 256 -7.692 18.607 -7.883 1.00 23.31 C ATOM 1425 NE ARG A 256 -6.959 19.562 -7.058 1.00 26.11 N ATOM 1426 CZ ARG A 256 -5.859 20.179 -7.461 1.00 24.80 C ATOM 1427 NH1 ARG A 256 -5.381 19.933 -8.672 1.00 23.79 N ATOM 1428 NH2 ARG A 256 -5.231 21.023 -6.654 1.00 24.61 N ATOM 1429 HE ARG A 256 -7.319 19.769 -6.104 1.00 0.00 H ATOM 1430 HH12 ARG A 256 -4.518 20.413 -8.998 1.00 0.00 H ATOM 1431 HH11 ARG A 256 -5.869 19.260 -9.297 1.00 0.00 H ATOM 1432 HH22 ARG A 256 -4.367 21.505 -6.976 1.00 0.00 H ATOM 1433 HH21 ARG A 256 -5.602 21.203 -5.699 1.00 0.00 H ATOM 1434 H ARG A 256 -7.492 16.537 -3.391 1.00 0.00 H ATOM 1435 N GLY A 257 -5.077 17.081 -5.784 1.00 12.34 N ATOM 1436 CA GLY A 257 -3.829 17.276 -6.504 1.00 12.87 C ATOM 1437 C GLY A 257 -3.068 15.981 -6.723 1.00 13.05 C ATOM 1438 O GLY A 257 -2.611 15.697 -7.831 1.00 13.61 O ATOM 1439 H GLY A 257 -5.234 17.558 -4.873 1.00 0.00 H ATOM 1440 N ILE A 258 -2.920 15.176 -5.669 1.00 11.24 N ATOM 1441 CA ILE A 258 -2.111 13.965 -5.809 1.00 10.01 C ATOM 1442 C ILE A 258 -2.852 12.884 -6.602 1.00 9.35 C ATOM 1443 O ILE A 258 -2.219 12.108 -7.331 1.00 10.75 O ATOM 1444 CB ILE A 258 -1.610 13.464 -4.441 1.00 9.58 C ATOM 1445 CG1 ILE A 258 -0.380 12.556 -4.600 1.00 11.36 C ATOM 1446 CG2 ILE A 258 -2.719 12.740 -3.683 1.00 10.64 C ATOM 1447 CD1 ILE A 258 0.894 13.283 -5.006 1.00 10.55 C ATOM 1448 H ILE A 258 -3.373 15.406 -4.762 1.00 0.00 H ATOM 1449 N GLN A 259 -4.184 12.802 -6.477 1.00 10.41 N ATOM 1450 CA GLN A 259 -4.925 11.846 -7.295 1.00 11.31 C ATOM 1451 C GLN A 259 -4.941 12.229 -8.769 1.00 11.61 C ATOM 1452 O GLN A 259 -5.192 11.366 -9.617 1.00 13.09 O ATOM 1453 CB GLN A 259 -6.346 11.626 -6.758 1.00 10.97 C ATOM 1454 CG GLN A 259 -6.373 10.801 -5.471 1.00 11.79 C ATOM 1455 CD GLN A 259 -7.744 10.210 -5.149 1.00 10.95 C ATOM 1456 OE1 GLN A 259 -8.783 10.688 -5.624 1.00 11.46 O ATOM 1457 NE2 GLN A 259 -7.753 9.173 -4.315 1.00 11.04 N ATOM 1458 HE22 GLN A 259 -6.858 8.801 -3.938 1.00 0.00 H ATOM 1459 HE21 GLN A 259 -8.655 8.734 -4.040 1.00 0.00 H ATOM 1460 H GLN A 259 -4.686 13.414 -5.803 1.00 0.00 H ATOM 1461 N SER A 260 -4.685 13.498 -9.094 1.00 11.77 N ATOM 1462 CA SER A 260 -4.577 13.901 -10.490 1.00 13.09 C ATOM 1463 C SER A 260 -3.246 13.496 -11.103 1.00 13.48 C ATOM 1464 O SER A 260 -3.155 13.370 -12.331 1.00 16.14 O ATOM 1465 CB SER A 260 -4.805 15.409 -10.642 1.00 14.43 C ATOM 1466 OG SER A 260 -3.679 16.160 -10.217 1.00 15.63 O ATOM 1467 HG SER A 260 -3.497 15.968 -9.263 1.00 0.00 H ATOM 1468 H SER A 260 -4.561 14.207 -8.343 1.00 0.00 H ATOM 1469 N LEU A 261 -2.227 13.271 -10.278 1.00 13.11 N ATOM 1470 CA LEU A 261 -0.918 12.856 -10.766 1.00 12.21 C ATOM 1471 C LEU A 261 -0.757 11.340 -10.821 1.00 13.33 C ATOM 1472 O LEU A 261 -0.024 10.842 -11.684 1.00 15.10 O ATOM 1473 CB LEU A 261 0.190 13.455 -9.889 1.00 13.05 C ATOM 1474 CG LEU A 261 0.353 14.976 -9.853 1.00 14.67 C ATOM 1475 CD1 LEU A 261 1.526 15.350 -8.962 1.00 14.71 C ATOM 1476 CD2 LEU A 261 0.535 15.541 -11.258 1.00 18.00 C ATOM 1477 H LEU A 261 -2.369 13.395 -9.255 1.00 0.00 H ATOM 1478 N TYR A 262 -1.412 10.593 -9.929 1.00 13.31 N ATOM 1479 CA TYR A 262 -1.225 9.144 -9.834 1.00 13.26 C ATOM 1480 C TYR A 262 -2.561 8.433 -9.713 1.00 15.45 C ATOM 1481 O TYR A 262 -3.426 8.847 -8.938 1.00 17.80 O ATOM 1482 CB TYR A 262 -0.364 8.769 -8.616 1.00 13.59 C ATOM 1483 CG TYR A 262 0.995 9.400 -8.670 1.00 12.15 C ATOM 1484 CD1 TYR A 262 2.018 8.825 -9.417 1.00 11.57 C ATOM 1485 CD2 TYR A 262 1.250 10.597 -8.015 1.00 12.30 C ATOM 1486 CE1 TYR A 262 3.266 9.415 -9.489 1.00 10.63 C ATOM 1487 CE2 TYR A 262 2.496 11.198 -8.088 1.00 11.60 C ATOM 1488 CZ TYR A 262 3.497 10.605 -8.829 1.00 10.53 C ATOM 1489 OH TYR A 262 4.743 11.193 -8.905 1.00 11.33 O ATOM 1490 HH TYR A 262 4.657 12.097 -9.300 1.00 0.00 H ATOM 1491 H TYR A 262 -2.078 11.057 -9.279 1.00 0.00 H ATOM 1492 N GLY A 263 -2.705 7.335 -10.449 1.00 17.06 N ATOM 1493 CA GLY A 263 -3.929 6.554 -10.416 1.00 18.79 C ATOM 1494 C GLY A 263 -4.926 6.960 -11.484 1.00 22.06 C ATOM 1495 O GLY A 263 -4.722 7.938 -12.212 1.00 22.64 O ATOM 1496 OXT GLY A 263 -5.963 6.314 -11.643 1.00 24.57 O ATOM 1497 H GLY A 263 -1.923 7.028 -11.062 1.00 0.00 H TER 1498 GLY A 263 HETATM 1499 ZN ZN A 1 6.517 24.043 -0.977 1.00 11.69 ZN HETATM 1500 ZN ZN A 2 19.179 21.425 -1.082 1.00 10.13 ZN HETATM 1501 CA CA A 3 16.683 11.116 -6.127 1.00 11.35 CA HETATM 1502 CA CA A 4 18.933 21.712 14.162 1.00 12.13 CA HETATM 1503 CA CA A 5 16.041 28.451 7.570 1.00 10.27 CA HETATM 1504 O HOH 6 7.137 30.578 -0.540 1.00 35.89 O HETATM 1505 O HOH 7 -8.067 6.863 -12.817 1.00 40.11 O HETATM 1506 O HOH 8 16.772 7.004 -13.379 1.00 41.39 O HETATM 1507 O HOH 9 -10.687 13.837 4.845 1.00 39.81 O HETATM 1508 O HOH 10 -4.447 10.478 -12.179 1.00 30.62 O HETATM 1509 O HOH 11 18.522 12.628 -15.743 1.00 40.20 O HETATM 1510 O HOH 12 7.041 1.661 -14.388 1.00 39.59 O HETATM 1511 O HOH 13 -5.927 3.964 -10.610 1.00 34.80 O HETATM 1512 O HOH 14 8.626 11.336 -21.054 1.00 22.70 O HETATM 1513 O HOH 15 3.292 9.865 -16.810 1.00 41.39 O HETATM 1514 O HOH 16 17.128 15.018 -12.131 1.00 29.98 O HETATM 1515 O HOH 17 -6.301 20.222 6.425 1.00 29.47 O HETATM 1516 O HOH 18 -2.863 20.405 -9.110 1.00 43.48 O HETATM 1517 O HOH 19 9.263 2.851 5.803 1.00 37.17 O HETATM 1518 O HOH 20 17.271 3.537 11.296 1.00 34.61 O HETATM 1519 O HOH 21 22.690 17.595 10.577 1.00 14.21 O HETATM 1520 O HOH 22 20.943 12.343 -4.919 1.00 31.11 O HETATM 1521 O HOH 23 -10.076 26.092 3.206 1.00 39.58 O HETATM 1522 O HOH 24 20.391 20.114 18.256 1.00 21.59 O HETATM 1523 O HOH 25 18.164 9.431 -5.425 1.00 14.57 O HETATM 1524 O HOH 26 20.459 12.805 -12.977 1.00 40.85 O HETATM 1525 O HOH 27 3.018 6.979 -12.413 1.00 31.37 O HETATM 1526 O HOH 28 16.010 10.043 -8.181 1.00 12.79 O HETATM 1527 O HOH 29 21.023 -2.405 2.715 1.00 27.97 O HETATM 1528 O HOH 30 17.945 29.571 -5.519 1.00 45.02 O HETATM 1529 O HOH 31 -9.979 27.907 5.781 1.00 35.97 O HETATM 1530 O HOH 32 16.895 17.617 21.376 1.00 32.73 O HETATM 1531 O HOH 33 18.695 11.749 15.078 1.00 27.45 O HETATM 1532 O HOH 34 -4.991 31.746 -0.414 1.00 34.53 O HETATM 1533 O HOH 35 18.578 4.548 8.494 1.00 22.63 O HETATM 1534 O HOH 36 0.000 0.000 -6.344 1.00 25.04 O HETATM 1535 O HOH 37 18.300 33.606 11.708 1.00 35.91 O HETATM 1536 O HOH 38 -9.670 21.537 0.277 1.00 27.75 O HETATM 1537 O HOH 39 24.617 26.549 -2.647 1.00 22.15 O HETATM 1538 O HOH 40 15.945 3.706 -7.795 1.00 33.67 O HETATM 1539 O HOH 41 24.730 27.140 12.074 1.00 30.78 O HETATM 1540 O HOH 42 13.792 2.290 -6.161 1.00 14.73 O HETATM 1541 O HOH 43 5.868 24.329 15.320 1.00 18.53 O HETATM 1542 O HOH 44 14.421 3.526 14.073 1.00 41.99 O HETATM 1543 O HOH 45 -0.660 3.733 3.092 1.00 18.58 O HETATM 1544 O HOH 46 24.235 16.940 5.180 1.00 15.17 O HETATM 1545 O HOH 47 21.936 8.256 14.225 1.00 40.80 O HETATM 1546 O HOH 48 15.230 7.482 -9.099 1.00 14.02 O HETATM 1547 O HOH 49 -3.945 19.395 5.153 1.00 37.60 O HETATM 1548 O HOH 50 -9.370 13.076 -6.739 1.00 15.51 O HETATM 1549 O HOH 51 24.329 28.731 8.794 1.00 16.82 O HETATM 1550 O HOH 52 7.450 12.816 21.044 1.00 33.22 O HETATM 1551 O HOH 53 9.196 -2.454 2.661 1.00 24.60 O HETATM 1552 O HOH 54 22.853 23.838 12.559 1.00 36.59 O HETATM 1553 O HOH 55 17.143 28.881 -1.361 1.00 26.70 O HETATM 1554 O HOH 56 12.932 25.851 13.904 1.00 18.05 O HETATM 1555 O HOH 57 13.332 -2.293 3.564 1.00 22.23 O HETATM 1556 O HOH 58 20.193 15.031 -2.225 1.00 14.94 O HETATM 1557 O HOH 59 13.364 12.867 19.667 1.00 28.19 O HETATM 1558 O HOH 60 28.338 26.162 3.252 1.00 15.20 O HETATM 1559 O HOH 61 6.515 -0.780 -0.275 1.00 18.60 O HETATM 1560 O HOH 62 -8.915 20.874 -5.607 1.00 30.93 O HETATM 1561 O HOH 63 5.251 29.722 9.927 1.00 31.40 O HETATM 1562 O HOH 64 13.490 17.858 19.126 1.00 15.12 O HETATM 1563 O HOH 65 20.984 27.122 7.052 1.00 10.70 O HETATM 1564 O HOH 66 21.294 13.996 19.221 1.00 43.87 O HETATM 1565 O HOH 67 -5.911 15.218 19.677 1.00 40.41 O HETATM 1566 O HOH 68 1.360 29.968 9.575 1.00 36.92 O HETATM 1567 O HOH 69 7.771 19.353 -7.213 1.00 21.53 O HETATM 1568 O HOH 70 0.944 8.640 -13.039 1.00 17.40 O HETATM 1569 O HOH 71 7.034 27.955 0.252 1.00 21.74 O HETATM 1570 O HOH 72 5.201 4.699 5.169 1.00 13.62 O HETATM 1571 O HOH 73 -0.757 29.872 -2.140 1.00 29.69 O HETATM 1572 O HOH 74 20.628 5.832 -2.474 1.00 17.96 O HETATM 1573 O HOH 75 23.505 14.920 10.518 1.00 15.30 O HETATM 1574 O HOH 76 -2.530 17.716 -12.201 1.00 41.99 O HETATM 1575 O HOH 77 11.523 1.526 -7.635 1.00 13.04 O HETATM 1576 O HOH 78 11.529 5.788 8.088 1.00 12.90 O HETATM 1577 O HOH 79 23.720 -3.203 -0.478 1.00 22.35 O HETATM 1578 O HOH 80 -6.802 24.255 -6.217 1.00 42.76 O HETATM 1579 O HOH 81 -2.675 20.848 -2.516 1.00 12.09 O HETATM 1580 O HOH 82 10.014 33.077 5.403 1.00 24.00 O HETATM 1581 O HOH 83 9.148 26.978 12.300 1.00 29.31 O HETATM 1582 O HOH 84 0.000 0.000 -9.000 1.00 19.96 O HETATM 1583 O HOH 85 -5.152 18.346 12.791 1.00 35.66 O HETATM 1584 O HOH 86 1.835 19.196 -10.394 1.00 30.97 O HETATM 1585 O HOH 87 19.030 8.205 -9.960 1.00 28.82 O HETATM 1586 O HOH 88 24.481 28.304 -6.770 1.00 34.76 O HETATM 1587 O HOH 89 -9.952 16.278 4.442 1.00 42.66 O HETATM 1588 O HOH 90 10.962 4.417 14.350 1.00 21.18 O HETATM 1589 O HOH 91 22.753 24.730 -1.409 1.00 13.70 O HETATM 1590 O HOH 92 10.149 12.264 21.374 1.00 31.12 O HETATM 1591 O HOH 93 -4.611 4.268 -1.593 1.00 16.78 O HETATM 1592 O HOH 94 12.270 30.451 13.832 1.00 41.65 O HETATM 1593 O HOH 95 -3.785 10.432 4.156 1.00 17.05 O HETATM 1594 O HOH 96 23.241 13.631 14.285 1.00 30.43 O HETATM 1595 O HOH 97 29.232 26.102 5.887 1.00 19.67 O HETATM 1596 O HOH 98 3.823 4.369 2.832 1.00 18.73 O HETATM 1597 O HOH 99 24.002 4.018 -1.582 1.00 34.45 O HETATM 1598 O HOH 100 3.347 26.004 -7.088 1.00 30.25 O HETATM 1599 O HOH 101 -7.710 6.877 2.108 1.00 15.23 O HETATM 1600 O HOH 102 0.033 12.170 -14.192 1.00 21.79 O HETATM 1601 O HOH 103 9.071 34.262 -0.162 1.00 29.04 O HETATM 1602 O HOH 104 13.730 2.428 10.545 1.00 32.49 O HETATM 1603 O HOH 105 16.657 33.082 8.454 1.00 38.18 O HETATM 1604 O HOH 106 -2.384 28.223 6.903 1.00 36.22 O HETATM 1605 O HOH 107 -0.516 6.524 -12.139 1.00 14.59 O HETATM 1606 O HOH 108 12.038 28.767 12.191 1.00 38.86 O HETATM 1607 O HOH 109 2.226 22.471 23.240 1.00 46.48 O HETATM 1608 O HOH 110 -0.151 23.703 -7.729 1.00 42.41 O HETATM 1609 O HOH 111 -0.909 21.234 -4.571 1.00 18.72 O HETATM 1610 O HOH 112 17.484 4.919 5.201 1.00 13.74 O HETATM 1611 O HOH 113 -5.472 18.521 9.786 1.00 33.13 O HETATM 1612 O HOH 114 -7.957 14.419 -8.838 1.00 15.18 O HETATM 1613 O HOH 115 -10.627 19.910 2.880 1.00 26.52 O HETATM 1614 O HOH 116 9.994 20.977 -6.438 1.00 19.35 O HETATM 1615 O HOH 117 -2.201 27.143 -6.426 1.00 47.28 O HETATM 1616 O HOH 118 7.722 15.296 13.736 1.00 16.08 O HETATM 1617 O HOH 119 -0.083 20.912 -7.289 1.00 26.05 O HETATM 1618 O HOH 120 -10.313 15.302 -2.466 1.00 17.95 O HETATM 1619 O HOH 121 12.221 18.784 21.548 1.00 22.99 O HETATM 1620 O HOH 122 2.175 27.420 13.776 1.00 30.21 O HETATM 1621 O HOH 123 17.941 25.995 15.720 1.00 27.87 O HETATM 1622 O HOH 124 19.385 8.667 18.339 1.00 30.26 O HETATM 1623 O HOH 125 -2.737 25.950 12.567 1.00 43.37 O HETATM 1624 O HOH 126 18.316 -1.613 3.237 1.00 23.45 O HETATM 1625 O HOH 127 -2.540 11.402 -14.363 1.00 31.69 O HETATM 1626 O HOH 128 25.215 7.871 2.511 1.00 42.23 O HETATM 1627 O HOH 129 10.173 7.689 -13.299 1.00 37.17 O HETATM 1628 O HOH 130 0.496 8.891 8.606 1.00 20.48 O HETATM 1629 O HOH 131 13.630 26.669 18.736 1.00 41.38 O HETATM 1630 O HOH 132 -8.190 29.053 -2.406 1.00 41.23 O HETATM 1631 O HOH 133 24.766 2.478 4.290 1.00 41.33 O HETATM 1632 O HOH 134 5.668 14.018 20.583 1.00 38.79 O HETATM 1633 O HOH 135 20.035 5.199 6.307 1.00 30.11 O HETATM 1634 O HOH 136 10.155 0.326 4.591 1.00 26.30 O HETATM 1635 O HOH 137 5.060 13.000 16.842 1.00 28.38 O HETATM 1636 O HOH 138 13.758 17.518 -10.494 1.00 24.22 O HETATM 1637 O HOH 139 19.960 33.795 9.540 1.00 31.82 O HETATM 1638 O HOH 140 10.562 22.904 -2.273 1.00 13.91 O HETATM 1639 O HOH 141 4.591 28.946 -5.262 1.00 41.17 O HETATM 1640 O HOH 142 18.088 23.775 -9.349 1.00 43.07 O HETATM 1641 O HOH 143 20.801 30.549 12.600 1.00 30.69 O HETATM 1642 O HOH 144 7.269 3.061 4.352 1.00 27.18 O HETATM 1643 O HOH 145 13.819 22.555 -4.824 1.00 21.37 O HETATM 1644 O HOH 146 4.442 0.765 -11.383 1.00 27.95 O HETATM 1645 O HOH 147 12.285 26.301 -0.031 1.00 14.82 O HETATM 1646 O HOH 148 10.326 10.966 -12.855 1.00 22.64 O HETATM 1647 O HOH 149 16.454 26.415 -0.083 1.00 58.39 O HETATM 1648 O HOH 150 26.673 28.105 4.254 1.00 14.09 O HETATM 1649 O HOH 151 23.070 19.178 -2.597 1.00 36.82 O HETATM 1650 O HOH 152 12.470 20.265 -9.068 1.00 25.96 O HETATM 1651 O HOH 153 -6.589 18.433 -10.904 1.00 36.96 O HETATM 1652 O HOH 154 21.320 14.747 -10.272 1.00 28.24 O HETATM 1653 O HOH 155 13.151 4.339 -12.028 1.00 29.75 O HETATM 1654 O HOH 156 -9.220 15.771 11.918 1.00 43.10 O HETATM 1655 O HOH 157 0.330 29.239 7.116 1.00 30.27 O HETATM 1656 O HOH 158 3.546 33.487 7.972 1.00 46.64 O HETATM 1657 O HOH 159 9.607 26.716 19.902 1.00 38.20 O HETATM 1658 O HOH 160 18.761 23.402 15.871 1.00 16.35 O HETATM 1659 O HOH 161 3.329 -0.286 -5.930 1.00 19.12 O HETATM 1660 O HOH 162 12.823 16.332 -13.588 1.00 41.39 O HETATM 1661 O HOH 163 3.275 11.429 -19.117 1.00 41.35 O HETATM 1662 O HOH 164 15.564 12.625 -14.815 1.00 30.98 O HETATM 1663 O HOH 165 -4.893 12.486 5.575 1.00 24.62 O HETATM 1664 O HOH 166 3.914 2.136 1.381 1.00 18.71 O HETATM 1665 O HOH 167 11.139 16.498 19.644 1.00 19.19 O HETATM 1666 O HOH 168 -2.026 15.527 -14.046 1.00 41.55 O HETATM 1667 O HOH 169 -7.342 15.919 -13.130 1.00 30.08 O HETATM 1668 O HOH 170 11.719 8.103 21.008 1.00 29.60 O HETATM 1669 O HOH 171 22.150 5.154 4.510 1.00 34.15 O HETATM 1670 O HOH 172 5.925 21.903 22.746 1.00 33.58 O HETATM 1671 O HOH 173 -5.617 13.889 -14.006 1.00 34.10 O HETATM 1672 O HOH 174 -3.197 22.977 -5.640 1.00 31.02 O HETATM 1673 O HOH 175 25.167 21.652 10.456 1.00 25.47 O HETATM 1674 O HOH 176 5.077 0.039 1.894 1.00 40.32 O HETATM 1675 O HOH 177 1.767 -2.313 1.116 1.00 27.02 O HETATM 1676 O HOH 178 -5.581 17.924 -13.923 1.00 41.80 O HETATM 1677 O HOH 179 -3.674 11.675 8.044 1.00 28.83 O HETATM 1678 O HOH 180 20.072 22.649 -7.637 1.00 20.47 O HETATM 1679 O HOH 181 22.148 7.324 7.630 1.00 43.55 O HETATM 1680 O HOH 182 5.526 20.718 -9.621 1.00 41.89 O HETATM 1681 O HOH 183 23.476 18.094 0.504 1.00 24.04 O HETATM 1682 O HOH 184 14.844 -0.271 6.126 1.00 39.53 O HETATM 1683 O HOH 185 20.678 27.344 14.267 1.00 41.46 O HETATM 1684 O HOH 186 21.866 8.211 -3.266 1.00 30.24 O HETATM 1685 O HOH 187 23.802 11.099 10.592 1.00 17.50 O HETATM 1686 O HOH 188 9.478 3.966 11.824 1.00 15.64 O HETATM 1687 O HOH 189 0.253 14.830 21.785 1.00 35.74 O HETATM 1688 O HOH 190 14.920 5.544 23.639 1.00 56.25 O HETATM 1689 O HOH 191 21.284 21.978 14.674 1.00 15.47 O HETATM 1690 O HOH 192 -4.548 22.076 15.615 1.00 39.72 O HETATM 1691 O HOH 193 -4.497 25.665 -5.462 1.00 39.67 O HETATM 1692 O HOH 194 26.307 27.754 7.052 1.00 16.01 O HETATM 1693 O HOH 195 1.594 2.689 10.972 1.00 40.50 O HETATM 1694 O HOH 196 4.180 2.808 6.774 1.00 26.56 O HETATM 1695 O HOH 197 9.224 27.921 15.095 1.00 41.48 O HETATM 1696 O HOH 198 -4.984 3.057 0.956 1.00 21.56 O HETATM 1697 O HOH 199 -7.773 13.229 4.715 1.00 33.58 O HETATM 1698 O HOH 200 7.336 -0.227 3.961 1.00 43.30 O HETATM 1699 O HOH 201 -3.424 23.108 -8.414 1.00 44.63 O HETATM 1700 O HOH 202 14.480 7.966 -11.801 1.00 20.22 O HETATM 1701 O HOH 203 7.216 26.931 17.513 1.00 43.83 O HETATM 1702 O HOH 204 6.593 -0.023 -9.821 1.00 29.45 O HETATM 1703 O HOH 205 6.620 22.330 -7.552 1.00 39.24 O HETATM 1704 O HOH 206 22.376 12.536 -7.296 1.00 38.85 O HETATM 1705 O HOH 207 1.419 0.703 1.184 1.00 27.95 O HETATM 1706 O HOH 208 3.383 14.998 20.108 1.00 34.06 O HETATM 1707 O HOH 209 -8.020 12.658 -11.086 1.00 19.47 O HETATM 1708 O HOH 210 -1.071 18.468 -9.248 1.00 41.05 O HETATM 1709 O HOH 211 12.424 27.072 16.660 1.00 38.74 O HETATM 1710 O HOH 212 -6.125 3.763 3.039 1.00 37.89 O HETATM 1711 O HOH 213 11.491 14.467 -15.256 1.00 41.85 O HETATM 1712 O HOH 214 -11.758 17.491 3.172 1.00 34.58 O HETATM 1713 O HOH 215 9.333 23.146 -4.751 1.00 22.67 O HETATM 1714 O HOH 216 -5.984 8.764 4.565 1.00 40.78 O HETATM 1715 O HOH 217 23.580 19.751 8.804 1.00 17.05 O HETATM 1716 O HOH 218 8.917 27.220 -3.148 1.00 34.98 O HETATM 1717 O HOH 219 24.089 8.802 9.022 1.00 36.62 O HETATM 1718 O HOH 220 6.530 12.857 -22.055 1.00 22.40 O HETATM 1719 O HOH 221 16.079 17.500 -10.329 1.00 32.12 O HETATM 1720 O HOH 222 12.358 25.422 20.200 1.00 44.74 O HETATM 1721 O HOH 223 -6.421 11.554 -13.136 1.00 35.95 O HETATM 1722 O HOH 224 11.082 25.576 -2.396 1.00 18.78 O HETATM 1723 O HOH 225 2.908 4.732 -13.845 1.00 31.80 O HETATM 1724 O HOH 226 -4.803 2.263 -5.013 1.00 23.12 O HETATM 1725 O HOH 227 -2.690 1.171 -10.291 1.00 29.35 O HETATM 1726 O HOH 228 26.912 24.459 -5.230 1.00 53.37 O HETATM 1727 O HOH 229 6.056 24.367 -6.064 1.00 30.20 O HETATM 1728 O HOH 230 2.636 22.083 -10.772 1.00 41.45 O HETATM 1729 O HOH 231 0.514 1.871 4.631 1.00 38.61 O HETATM 1730 O HOH 232 13.893 22.577 -7.651 1.00 42.94 O HETATM 1731 O HOH 233 -0.097 23.398 20.366 1.00 55.70 O HETATM 1732 O HOH 234 4.461 -1.320 -8.383 1.00 24.24 O HETATM 1733 O HOH 235 11.756 5.598 -16.014 1.00 37.26 O HETATM 1734 O HOH 236 22.932 16.836 -1.946 1.00 30.42 O HETATM 1735 O HOH 237 20.647 10.539 15.709 1.00 35.46 O HETATM 1736 O HOH 238 28.848 28.197 7.354 1.00 32.94 O HETATM 1737 O HOH 239 20.896 9.844 -5.158 1.00 41.34 O HETATM 1738 O HOH 240 20.104 23.035 18.265 1.00 29.88 O HETATM 1739 O HOH 241 12.178 21.238 23.024 1.00 38.04 O HETATM 1740 O HOH 242 11.980 8.917 23.882 1.00 27.20 O HETATM 1741 O HOH 243 15.242 15.370 22.542 1.00 34.80 O HETATM 1742 O HOH 244 -8.403 16.357 -10.802 1.00 19.04 O HETATM 1743 O HOH 245 11.323 3.383 9.496 1.00 16.62 O HETATM 1744 O HOH 246 10.953 4.550 -13.748 1.00 34.62 O HETATM 1745 O HOH 247 2.213 11.426 13.172 1.00 37.77 O HETATM 1746 O HOH 248 3.057 2.145 -13.314 1.00 40.08 O HETATM 1747 O HOH 249 -7.002 20.359 12.944 1.00 53.92 O HETATM 1748 O HOH 250 10.491 23.004 21.997 1.00 40.43 O HETATM 1749 O HOH 251 10.711 19.761 -11.305 1.00 37.23 O HETATM 1750 O HOH 252 12.116 0.290 -11.402 1.00 36.56 O HETATM 1751 O HOH 253 0.842 9.617 20.964 1.00 46.36 O HETATM 1752 O HOH 254 22.547 12.522 16.368 1.00 42.16 O HETATM 1753 O HOH 255 -8.512 3.049 -10.942 1.00 33.96 O HETATM 1754 O HOH 256 7.349 28.551 13.385 1.00 47.09 O HETATM 1755 O HOH 257 4.650 27.021 15.276 1.00 42.75 O HETATM 1756 O HOH 258 23.746 31.302 9.405 1.00 20.43 O HETATM 1757 O HOH 259 23.693 10.295 13.160 1.00 38.22 O HETATM 1758 O HOH 260 1.203 29.714 -3.754 1.00 42.24 O HETATM 1759 O HOH 261 12.522 24.759 -5.014 1.00 47.93 O HETATM 1760 O HOH 262 8.021 19.407 -9.673 1.00 38.37 O HETATM 1761 O HOH 263 4.723 11.281 12.997 1.00 40.46 O HETATM 1762 O HOH 264 24.385 18.329 12.503 1.00 14.28 O HETATM 1763 O HOH 265 17.578 6.155 -9.293 1.00 34.97 O HETATM 1764 O HOH 266 -8.986 20.255 5.514 1.00 38.41 O HETATM 1765 O HOH 267 -5.841 2.196 -2.617 1.00 20.02 O HETATM 1766 O HOH 268 -2.906 31.759 -2.744 1.00 35.46 O HETATM 1767 O HOH 269 8.124 25.366 -5.228 1.00 36.75 O HETATM 1768 O HOH 270 24.706 22.648 12.518 1.00 30.77 O HETATM 1769 O HOH 271 19.934 -4.959 1.320 1.00 22.83 O HETATM 1770 O HOH 272 8.183 29.446 -2.851 1.00 34.97 O HETATM 1771 O HOH 273 -1.581 10.682 9.381 1.00 40.75 O HETATM 1772 O HOH 274 22.606 -2.472 4.847 1.00 34.06 O HETATM 1773 O HOH 275 23.694 20.502 14.153 1.00 19.60 O HETATM 1774 O HOH 276 25.129 16.217 14.326 1.00 25.88 O HETATM 1775 O HOH 277 10.452 1.271 7.845 1.00 27.02 O HETATM 1776 O HOH 278 6.141 -0.230 -12.902 1.00 43.74 O HETATM 1777 O HOH 279 15.843 21.634 -10.094 1.00 40.72 O HETATM 1778 O HOH 280 12.367 -0.577 7.456 1.00 43.94 O HETATM 1779 O HOH 281 5.934 0.505 6.214 1.00 42.29 O HETATM 1780 O HOH 282 23.896 17.086 20.369 1.00 30.75 O HETATM 1781 O HOH 283 12.358 0.843 12.791 1.00 37.36 O HETATM 1782 O HOH 284 8.647 -0.286 -10.914 1.00 36.59 O HETATM 1783 O HOH 285 -8.702 15.082 19.617 1.00 35.85 O HETATM 1784 O HOH 286 0.000 31.850 -0.424 1.00 26.06 O HETATM 1785 O HOH 287 17.064 4.625 -11.998 1.00 42.37 O HETATM 1786 O HOH 288 -1.678 29.589 11.180 1.00 42.81 O HETATM 1787 O HOH 289 -11.666 16.346 14.365 1.00 47.49 O HETATM 1788 O HOH 290 17.893 19.882 -10.283 1.00 48.05 O HETATM 1789 O43 UNN A 291 10.981 32.436 10.349 1.00 -0.57 O HETATM 1790 C42 UNN A 291 10.331 31.527 10.852 1.00 0.04 C HETATM 1791 O44 UNN A 291 10.209 31.374 12.136 1.00 -0.57 O HETATM 1792 C41 UNN A 291 9.636 30.550 9.946 1.00 0.00 C HETATM 1793 C40 UNN A 291 9.012 31.300 8.784 1.00 -0.00 C HETATM 1794 C29 UNN A 291 8.009 30.543 7.931 1.00 0.13 C HETATM 1795 C37 UNN A 291 7.027 31.572 7.444 1.00 0.20 C HETATM 1796 N39 UNN A 291 7.473 32.404 6.523 1.00 -0.30 N HETATM 1797 H6 UNN A 291 6.871 33.113 6.156 1.00 0.18 H HETATM 1798 H7 UNN A 291 8.413 32.326 6.192 1.00 0.18 H HETATM 1799 O38 UNN A 291 5.890 31.642 7.911 1.00 -0.39 O HETATM 1800 N28 UNN A 291 8.712 29.844 6.868 1.00 -0.26 N HETATM 1801 C27 UNN A 291 8.087 29.205 5.886 1.00 0.20 C HETATM 1802 O36 UNN A 291 6.876 28.959 5.899 1.00 -0.39 O HETATM 1803 C26 UNN A 291 8.954 28.765 4.739 1.00 0.13 C HETATM 1804 C31 UNN A 291 9.426 29.938 3.862 1.00 -0.00 C HETATM 1805 C32 UNN A 291 8.291 30.647 3.127 1.00 0.00 C HETATM 1806 C33 UNN A 291 8.801 31.747 2.209 1.00 0.04 C HETATM 1807 O35 UNN A 291 9.682 32.606 2.635 1.00 -0.57 O HETATM 1808 O34 UNN A 291 8.333 31.804 1.052 1.00 -0.57 O HETATM 1809 H12 UNN A 291 7.611 31.091 3.869 1.00 0.04 H HETATM 1810 H13 UNN A 291 7.743 29.908 2.524 1.00 0.04 H HETATM 1811 H10 UNN A 291 10.135 29.551 3.116 1.00 0.03 H HETATM 1812 H11 UNN A 291 9.935 30.671 4.506 1.00 0.03 H HETATM 1813 N25 UNN A 291 8.306 27.709 3.976 1.00 -0.27 N HETATM 1814 C20 UNN A 291 8.987 26.607 3.711 1.00 0.19 C HETATM 1815 O30 UNN A 291 10.080 26.385 4.210 1.00 -0.40 O HETATM 1816 C19 UNN A 291 8.387 25.632 2.749 1.00 0.07 C HETATM 1817 C21 UNN A 291 9.313 25.530 1.534 1.00 0.02 C HETATM 1818 C22 UNN A 291 8.701 24.745 0.396 1.00 0.04 C HETATM 1819 O24 UNN A 291 9.088 23.574 0.192 1.00 -0.57 O HETATM 1820 O23 UNN A 291 7.812 25.278 -0.305 1.00 -0.57 O HETATM 1821 H16 UNN A 291 10.245 25.033 1.843 1.00 0.05 H HETATM 1822 H17 UNN A 291 9.540 26.546 1.178 1.00 0.05 H HETATM 1823 C71 UNN A 291 8.287 24.277 3.451 1.00 0.04 C HETATM 1824 C9 UNN A 291 7.072 23.942 4.257 1.00 0.14 C HETATM 1825 C8 UNN A 291 5.757 24.214 4.235 1.00 -0.03 C HETATM 1826 C7 UNN A 291 5.187 23.513 5.304 1.00 0.04 C HETATM 1827 N11 UNN A 291 6.096 22.820 5.949 1.00 -0.15 N HETATM 1828 O10 UNN A 291 7.321 23.078 5.288 1.00 -0.17 O HETATM 1829 C6 UNN A 291 3.763 23.436 5.738 1.00 -0.01 C HETATM 1830 C1 UNN A 291 3.410 22.631 6.819 1.00 -0.05 C HETATM 1831 C2 UNN A 291 2.082 22.532 7.217 1.00 -0.05 C HETATM 1832 C3 UNN A 291 1.087 23.221 6.531 1.00 -0.02 C HETATM 1833 C4 UNN A 291 1.445 24.008 5.446 1.00 -0.05 C HETATM 1834 C5 UNN A 291 2.767 24.107 5.041 1.00 -0.05 C HETATM 1835 H23 UNN A 291 3.024 24.710 4.178 1.00 0.06 H HETATM 1836 H24 UNN A 291 0.679 24.554 4.907 1.00 0.06 H HETATM 1837 C12 UNN A 291 -0.334 23.133 6.936 1.00 -0.02 C HETATM 1838 C17 UNN A 291 -0.906 21.901 7.216 1.00 -0.04 C HETATM 1839 C16 UNN A 291 -2.243 21.848 7.585 1.00 0.04 C HETATM 1840 C15 UNN A 291 -3.010 22.989 7.670 1.00 -0.05 C HETATM 1841 C14 UNN A 291 -2.442 24.211 7.386 1.00 -0.06 C HETATM 1842 C13 UNN A 291 -1.106 24.282 7.013 1.00 -0.05 C HETATM 1843 H26 UNN A 291 -0.663 25.244 6.780 1.00 0.06 H HETATM 1844 H27 UNN A 291 -3.036 25.115 7.453 1.00 0.06 H HETATM 1845 H28 UNN A 291 -4.053 22.925 7.958 1.00 0.06 H HETATM 1846 CL UNN A 291 -2.963 20.316 7.943 1.00 -0.07 CL HETATM 1847 H25 UNN A 291 -0.318 20.993 7.148 1.00 0.06 H HETATM 1848 H22 UNN A 291 1.820 21.914 8.068 1.00 0.06 H HETATM 1849 H21 UNN A 291 4.175 22.079 7.353 1.00 0.06 H HETATM 1850 H20 UNN A 291 5.236 24.854 3.525 1.00 0.03 H HETATM 1851 H18 UNN A 291 9.149 24.207 4.131 1.00 0.05 H HETATM 1852 H19 UNN A 291 8.373 23.507 2.670 1.00 0.05 H HETATM 1853 H15 UNN A 291 7.388 25.968 2.434 1.00 0.06 H HETATM 1854 H14 UNN A 291 7.364 27.815 3.658 1.00 0.19 H HETATM 1855 H9 UNN A 291 9.861 28.325 5.179 1.00 0.08 H HETATM 1856 H8 UNN A 291 9.712 29.844 6.877 1.00 0.19 H HETATM 1857 H5 UNN A 291 7.478 29.800 8.543 1.00 0.08 H HETATM 1858 H3 UNN A 291 9.829 31.627 8.124 1.00 0.03 H HETATM 1859 H4 UNN A 291 8.498 32.181 9.196 1.00 0.03 H HETATM 1860 H1 UNN A 291 8.851 30.023 10.507 1.00 0.04 H HETATM 1861 H2 UNN A 291 10.365 29.821 9.563 1.00 0.04 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 667 665 1500 CONECT 713 712 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 852 851 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 653 667 777 867 CONECT 1501 558 825 839 852 CONECT 1502 219 220 896 901 CONECT 1503 713 719 737 747 CONECT 1789 1790 CONECT 1790 1789 1791 1792 CONECT 1791 1790 CONECT 1792 1790 1793 1860 1861 CONECT 1793 1792 1794 1858 1859 CONECT 1794 1793 1795 1800 1857 CONECT 1795 1794 1796 1799 CONECT 1796 1795 1797 1798 CONECT 1797 1796 CONECT 1798 1796 CONECT 1799 1795 CONECT 1800 1794 1801 1856 CONECT 1801 1800 1802 1803 CONECT 1802 1801 CONECT 1803 1801 1804 1813 1855 CONECT 1804 1803 1805 1811 1812 CONECT 1805 1804 1806 1809 1810 CONECT 1806 1805 1807 1808 CONECT 1807 1806 CONECT 1808 1806 CONECT 1809 1805 CONECT 1810 1805 CONECT 1811 1804 CONECT 1812 1804 CONECT 1813 1803 1814 1854 CONECT 1814 1813 1815 1816 CONECT 1815 1814 CONECT 1816 1814 1817 1823 1853 CONECT 1817 1816 1818 1821 1822 CONECT 1818 1817 1819 1820 CONECT 1819 1818 CONECT 1820 1818 CONECT 1821 1817 CONECT 1822 1817 CONECT 1823 1816 1824 1851 1852 CONECT 1824 1823 1825 1828 CONECT 1825 1824 1826 1850 CONECT 1826 1825 1827 1829 CONECT 1827 1826 1828 CONECT 1828 1824 1827 CONECT 1829 1826 1830 1834 CONECT 1830 1829 1831 1849 CONECT 1831 1830 1832 1848 CONECT 1832 1831 1833 1837 CONECT 1833 1832 1834 1836 CONECT 1834 1829 1833 1835 CONECT 1835 1834 CONECT 1836 1833 CONECT 1837 1832 1838 1842 CONECT 1838 1837 1839 1847 CONECT 1839 1838 1840 1846 CONECT 1840 1839 1841 1845 CONECT 1841 1840 1842 1844 CONECT 1842 1837 1841 1843 CONECT 1843 1842 CONECT 1844 1841 CONECT 1845 1840 CONECT 1846 1839 CONECT 1847 1838 CONECT 1848 1831 CONECT 1849 1830 CONECT 1850 1825 CONECT 1851 1823 CONECT 1852 1823 CONECT 1853 1816 CONECT 1854 1813 CONECT 1855 1803 CONECT 1856 1800 CONECT 1857 1794 CONECT 1858 1793 CONECT 1859 1793 CONECT 1860 1792 CONECT 1861 1792 MASTER 0 0 0 0 0 0 0 0 1860 1 101 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: 5cxa
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%
5czm
RCSB PDB
PDBbind
159aa, >5CZM_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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5cxa
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
catalytic domain of Human MMP12 Mutation: F171D, K241A
Ligand Name
55L
EC.Number
E.C.3.4.24.65
Resolution
1.3(Å)
Affinity (Kd/Ki/IC50)
Kd=9nM
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
0
H
3
1
ClN
4
O
1
0
Molecular Weight
643.041
Exact Mass
642.173
No. of atoms
76
No. of bonds
78
Polar Surface Area
239.22
LOGP Value
5.76 (
Computed with XLOGP3
)
3.96 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 3
Canonical SMILES
OC(=O)C[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCC(=O)O)CCC(=O)O)Cc1onc(c1)c1ccc(cc1)c1cccc(c1)Cl
InChI String
InChI=1S/C30H31ClN4O10/c31-20-3-1-2-18(12-20)16-4-6-17(7-5-16)24-15-21(45-35-24)13-19(14-27(40)41)29(43)34-23(9-11-26(38)39)30(44)33-22(28(32)42)8-10-25(36)37/h1-7,12,15,19,22-23H,8-11,13-14H2,(H2,32,42)(H,33,44)(H,34,43)(H,36,37)(H,38,39)(H,40,41)/t19-,22+,23+/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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