Browse entries in the PDBbind-CN Database
HEADER 6ENM_COMPLEX COMPND 6ENM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 152 HIS TYR ILE THR TYR ARG ILE ASN ASN TYR THR PRO ASP SEQRES 2 A 152 MET ASN ARG GLU ASP VAL ASP TYR ALA ILE ARG LYS ALA SEQRES 3 A 152 PHE GLN VAL TRP SER ASN VAL THR PRO LEU LYS PHE SER SEQRES 4 A 152 LYS ILE ASN THR GLY MET ALA ASP ILE LEU VAL VAL PHE SEQRES 5 A 152 ALA ARG GLY ALA HIS GLY ASP ASP HIS ALA PHE ASP GLY SEQRES 6 A 152 LYS GLY GLY ILE LEU ALA HIS ALA PHE GLY PRO GLY SER SEQRES 7 A 152 GLY ILE GLY GLY ASP ALA HIS PHE ASP GLU ASP GLU PHE SEQRES 8 A 152 TRP THR THR HIS SER GLY GLY THR ASN LEU PHE LEU THR SEQRES 9 A 152 ALA VAL HIS GLU ILE GLY HIS SER LEU GLY LEU GLY HIS SEQRES 10 A 152 SER SER ASP PRO LYS ALA VAL MET PHE PRO THR TYR LYS SEQRES 11 A 152 TYR VAL ASP ILE ASN THR PHE ARG LEU SER ALA ASP ASP SEQRES 12 A 152 ILE ARG GLY ILE GLN SER 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 LPW A 364 47 ATOM 1 N HIS A 112 27.242 -10.448 12.991 1.00 28.62 N ATOM 2 CA HIS A 112 27.115 -9.093 13.599 1.00 25.58 C ATOM 3 C HIS A 112 27.714 -7.918 12.817 1.00 21.67 C ATOM 4 O HIS A 112 27.663 -6.819 13.273 1.00 24.26 O ATOM 5 CB HIS A 112 27.657 -9.099 15.052 1.00 33.37 C ATOM 6 CG HIS A 112 26.808 -9.903 16.020 1.00 40.02 C ATOM 7 ND1 HIS A 112 27.301 -10.404 17.210 1.00 47.19 N ATOM 8 CD2 HIS A 112 25.511 -10.311 15.958 1.00 42.88 C ATOM 9 CE1 HIS A 112 26.350 -11.079 17.837 1.00 43.65 C ATOM 10 NE2 HIS A 112 25.253 -11.026 17.106 1.00 41.60 N ATOM 11 HN3 HIS A 112 28.249 -10.678 12.868 1.00 0.00 H ATOM 12 HN2 HIS A 112 26.767 -10.457 12.066 1.00 0.00 H ATOM 13 HN1 HIS A 112 26.798 -11.150 13.617 1.00 0.00 H ATOM 14 N TYR A 113 28.215 -8.188 11.662 1.00 18.81 N ATOM 15 CA TYR A 113 28.836 -7.225 10.793 1.00 19.54 C ATOM 16 C TYR A 113 27.976 -7.084 9.515 1.00 24.05 C ATOM 17 O TYR A 113 27.930 -8.019 8.680 1.00 27.44 O ATOM 18 CB TYR A 113 30.203 -7.727 10.414 1.00 23.21 C ATOM 19 CG TYR A 113 30.927 -6.852 9.483 1.00 23.04 C ATOM 20 CD1 TYR A 113 31.692 -5.784 9.965 1.00 24.27 C ATOM 21 CD2 TYR A 113 30.820 -7.017 8.080 1.00 25.95 C ATOM 22 CE1 TYR A 113 32.394 -4.967 9.128 1.00 30.71 C ATOM 23 CE2 TYR A 113 31.521 -6.155 7.211 1.00 27.61 C ATOM 24 CZ TYR A 113 32.288 -5.138 7.739 1.00 28.43 C ATOM 25 OH TYR A 113 33.017 -4.284 6.936 1.00 29.35 O ATOM 26 HH TYR A 113 32.404 -3.806 6.323 1.00 0.00 H ATOM 27 H TYR A 113 28.167 -9.174 11.334 1.00 0.00 H ATOM 28 N ILE A 114 27.332 -5.904 9.393 1.00 19.42 N ATOM 29 CA ILE A 114 26.348 -5.668 8.371 1.00 16.60 C ATOM 30 C ILE A 114 26.727 -4.474 7.508 1.00 15.00 C ATOM 31 O ILE A 114 27.063 -3.392 8.050 1.00 15.87 O ATOM 32 CB ILE A 114 24.997 -5.423 8.977 1.00 14.79 C ATOM 33 CG1 ILE A 114 24.562 -6.665 9.815 1.00 17.76 C ATOM 34 CG2 ILE A 114 24.000 -5.194 7.848 1.00 15.48 C ATOM 35 CD1 ILE A 114 23.331 -6.466 10.608 1.00 19.20 C ATOM 36 H ILE A 114 27.555 -5.139 10.061 1.00 0.00 H ATOM 37 N THR A 115 26.713 -4.666 6.207 1.00 14.15 N ATOM 38 CA THR A 115 27.044 -3.587 5.267 1.00 11.48 C ATOM 39 C THR A 115 25.754 -2.915 4.782 1.00 13.28 C ATOM 40 O THR A 115 24.688 -3.563 4.688 1.00 12.68 O ATOM 41 CB THR A 115 27.812 -4.080 4.073 1.00 15.76 C ATOM 42 OG1 THR A 115 27.111 -5.129 3.380 1.00 14.38 O ATOM 43 CG2 THR A 115 29.221 -4.634 4.507 1.00 15.93 C ATOM 44 HG1 THR A 115 27.648 -5.425 2.603 1.00 0.00 H ATOM 45 H THR A 115 26.462 -5.604 5.835 1.00 0.00 H ATOM 46 N TYR A 116 25.870 -1.647 4.427 1.00 11.53 N ATOM 47 CA TYR A 116 24.758 -0.931 3.848 1.00 11.52 C ATOM 48 C TYR A 116 25.282 -0.019 2.759 1.00 11.05 C ATOM 49 O TYR A 116 26.425 0.410 2.792 1.00 12.08 O ATOM 50 CB TYR A 116 23.965 -0.140 4.886 1.00 11.03 C ATOM 51 CG TYR A 116 24.589 1.145 5.376 1.00 9.65 C ATOM 52 CD1 TYR A 116 25.416 1.163 6.483 1.00 10.09 C ATOM 53 CD2 TYR A 116 24.302 2.351 4.755 1.00 10.14 C ATOM 54 CE1 TYR A 116 25.959 2.343 6.941 1.00 11.21 C ATOM 55 CE2 TYR A 116 24.848 3.528 5.203 1.00 10.12 C ATOM 56 CZ TYR A 116 25.674 3.519 6.297 1.00 10.76 C ATOM 57 OH TYR A 116 26.202 4.696 6.757 1.00 13.30 O ATOM 58 HH TYR A 116 26.771 4.515 7.546 1.00 0.00 H ATOM 59 H TYR A 116 26.777 -1.157 4.567 1.00 0.00 H ATOM 60 N ARG A 117 24.438 0.229 1.773 1.00 10.73 N ATOM 61 CA ARG A 117 24.767 1.117 0.702 1.00 12.26 C ATOM 62 C ARG A 117 23.611 2.016 0.413 1.00 13.32 C ATOM 63 O ARG A 117 22.473 1.576 0.418 1.00 11.84 O ATOM 64 CB ARG A 117 25.117 0.324 -0.522 1.00 12.56 C ATOM 65 CG ARG A 117 25.392 1.193 -1.768 1.00 14.80 C ATOM 66 CD ARG A 117 26.171 0.449 -2.820 1.00 16.90 C ATOM 67 NE ARG A 117 25.454 -0.655 -3.378 1.00 19.45 N ATOM 68 CZ ARG A 117 24.573 -0.568 -4.372 1.00 20.96 C ATOM 69 NH1 ARG A 117 23.970 -1.669 -4.814 1.00 23.70 N ATOM 70 NH2 ARG A 117 24.273 0.621 -4.913 1.00 20.79 N ATOM 71 HE ARG A 117 25.634 -1.597 -2.977 1.00 0.00 H ATOM 72 HH12 ARG A 117 23.281 -1.608 -5.590 1.00 0.00 H ATOM 73 HH11 ARG A 117 24.188 -2.590 -4.383 1.00 0.00 H ATOM 74 HH22 ARG A 117 23.583 0.680 -5.689 1.00 0.00 H ATOM 75 HH21 ARG A 117 24.730 1.485 -4.556 1.00 0.00 H ATOM 76 H ARG A 117 23.507 -0.235 1.776 1.00 0.00 H ATOM 77 N ILE A 118 23.885 3.301 0.132 1.00 11.14 N ATOM 78 CA ILE A 118 22.850 4.188 -0.279 1.00 11.27 C ATOM 79 C ILE A 118 22.793 4.109 -1.794 1.00 9.99 C ATOM 80 O ILE A 118 23.778 4.482 -2.527 1.00 12.54 O ATOM 81 CB ILE A 118 23.099 5.596 0.241 1.00 11.63 C ATOM 82 CG1 ILE A 118 23.049 5.576 1.785 1.00 14.56 C ATOM 83 CG2 ILE A 118 22.094 6.543 -0.372 1.00 12.47 C ATOM 84 CD1 ILE A 118 23.400 6.921 2.443 1.00 15.27 C ATOM 85 H ILE A 118 24.861 3.650 0.215 1.00 0.00 H ATOM 86 N ASN A 119 21.728 3.519 -2.320 1.00 10.10 N ATOM 87 CA ASN A 119 21.593 3.310 -3.776 1.00 11.24 C ATOM 88 C ASN A 119 21.518 4.627 -4.543 1.00 11.56 C ATOM 89 O ASN A 119 22.040 4.738 -5.656 1.00 14.04 O ATOM 90 CB ASN A 119 20.330 2.516 -4.044 1.00 12.66 C ATOM 91 CG ASN A 119 20.060 2.337 -5.529 1.00 14.75 C ATOM 92 OD1 ASN A 119 20.809 1.577 -6.233 1.00 17.55 O ATOM 93 ND2 ASN A 119 18.972 2.971 -6.003 1.00 17.30 N ATOM 94 HD22 ASN A 119 18.407 3.575 -5.373 1.00 0.00 H ATOM 95 HD21 ASN A 119 18.696 2.857 -6.999 1.00 0.00 H ATOM 96 H ASN A 119 20.967 3.195 -1.690 1.00 0.00 H ATOM 97 N ASN A 120 20.803 5.557 -3.991 1.00 11.03 N ATOM 98 CA ASN A 120 20.481 6.762 -4.614 1.00 11.09 C ATOM 99 C ASN A 120 20.032 7.773 -3.619 1.00 11.50 C ATOM 100 O ASN A 120 19.712 7.425 -2.491 1.00 12.00 O ATOM 101 CB ASN A 120 19.391 6.598 -5.758 1.00 11.90 C ATOM 102 CG ASN A 120 18.041 6.256 -5.258 1.00 10.91 C ATOM 103 OD1 ASN A 120 17.822 5.200 -4.638 1.00 12.86 O ATOM 104 ND2 ASN A 120 17.080 7.083 -5.573 1.00 11.48 N ATOM 105 HD22 ASN A 120 17.296 7.958 -6.092 1.00 0.00 H ATOM 106 HD21 ASN A 120 16.099 6.866 -5.305 1.00 0.00 H ATOM 107 H ASN A 120 20.449 5.395 -3.027 1.00 0.00 H ATOM 108 N TYR A 121 20.038 9.040 -4.006 1.00 11.82 N ATOM 109 CA TYR A 121 19.855 10.156 -3.089 1.00 11.91 C ATOM 110 C TYR A 121 18.645 10.962 -3.500 1.00 11.73 C ATOM 111 O TYR A 121 18.515 11.371 -4.630 1.00 14.34 O ATOM 112 CB TYR A 121 21.101 11.030 -3.136 1.00 12.24 C ATOM 113 CG TYR A 121 22.285 10.376 -2.516 1.00 12.27 C ATOM 114 CD1 TYR A 121 23.061 9.474 -3.243 1.00 13.66 C ATOM 115 CD2 TYR A 121 22.612 10.568 -1.183 1.00 15.29 C ATOM 116 CE1 TYR A 121 24.140 8.826 -2.657 1.00 17.00 C ATOM 117 CE2 TYR A 121 23.658 9.960 -0.610 1.00 14.34 C ATOM 118 CZ TYR A 121 24.429 9.087 -1.310 1.00 16.59 C ATOM 119 OH TYR A 121 25.502 8.519 -0.721 1.00 17.91 O ATOM 120 HH TYR A 121 25.207 8.001 0.070 1.00 0.00 H ATOM 121 H TYR A 121 20.181 9.248 -5.015 1.00 0.00 H ATOM 122 N THR A 122 17.766 11.204 -2.557 1.00 11.95 N ATOM 123 CA THR A 122 16.683 12.058 -2.723 1.00 11.95 C ATOM 124 C THR A 122 17.144 13.471 -3.071 1.00 13.31 C ATOM 125 O THR A 122 18.009 13.998 -2.398 1.00 14.80 O ATOM 126 CB THR A 122 15.769 12.153 -1.499 1.00 12.38 C ATOM 127 OG1 THR A 122 14.787 13.140 -1.778 1.00 12.38 O ATOM 128 CG2 THR A 122 16.460 12.478 -0.245 1.00 12.73 C ATOM 129 HG1 THR A 122 14.269 12.872 -2.578 1.00 0.00 H ATOM 130 H THR A 122 17.886 10.732 -1.638 1.00 0.00 H ATOM 131 N PRO A 123 16.585 14.035 -4.139 1.00 14.46 N ATOM 132 CA PRO A 123 16.869 15.452 -4.445 1.00 16.43 C ATOM 133 C PRO A 123 16.314 16.426 -3.406 1.00 16.27 C ATOM 134 O PRO A 123 16.636 17.640 -3.428 1.00 14.73 O ATOM 135 CB PRO A 123 16.139 15.667 -5.753 1.00 18.55 C ATOM 136 CG PRO A 123 15.060 14.673 -5.801 1.00 20.21 C ATOM 137 CD PRO A 123 15.631 13.469 -5.102 1.00 15.78 C ATOM 138 N ASP A 124 15.510 15.975 -2.461 1.00 14.17 N ATOM 139 CA ASP A 124 15.009 16.821 -1.430 1.00 13.29 C ATOM 140 C ASP A 124 16.093 17.366 -0.520 1.00 14.62 C ATOM 141 O ASP A 124 15.846 18.372 0.114 1.00 13.52 O ATOM 142 CB ASP A 124 13.944 16.132 -0.536 1.00 14.89 C ATOM 143 CG ASP A 124 12.852 15.476 -1.263 1.00 14.94 C ATOM 144 OD1 ASP A 124 12.609 15.778 -2.466 1.00 13.71 O ATOM 145 OD2 ASP A 124 12.181 14.564 -0.647 1.00 13.00 O ATOM 146 H ASP A 124 15.234 14.972 -2.469 1.00 0.00 H ATOM 147 N MET A 125 17.217 16.648 -0.402 1.00 12.98 N ATOM 148 CA MET A 125 18.252 16.951 0.565 1.00 14.46 C ATOM 149 C MET A 125 19.588 16.993 -0.162 1.00 17.01 C ATOM 150 O MET A 125 19.695 16.389 -1.256 1.00 17.42 O ATOM 151 CB MET A 125 18.247 15.867 1.708 1.00 14.73 C ATOM 152 CG MET A 125 16.963 15.879 2.488 1.00 14.62 C ATOM 153 SD MET A 125 16.860 14.458 3.611 1.00 15.30 S ATOM 154 CE MET A 125 18.443 14.572 4.337 1.00 14.79 C ATOM 155 H MET A 125 17.353 15.834 -1.035 1.00 0.00 H ATOM 156 N ASN A 126 20.581 17.676 0.426 1.00 16.14 N ATOM 157 CA ASN A 126 21.947 17.535 -0.012 1.00 19.28 C ATOM 158 C ASN A 126 22.432 16.100 0.195 1.00 19.05 C ATOM 159 O ASN A 126 22.029 15.445 1.183 1.00 16.03 O ATOM 160 CB ASN A 126 22.846 18.480 0.745 1.00 25.61 C ATOM 161 CG ASN A 126 22.619 19.899 0.348 1.00 31.93 C ATOM 162 OD1 ASN A 126 22.577 20.189 -0.844 1.00 37.81 O ATOM 163 ND2 ASN A 126 22.434 20.776 1.308 1.00 41.09 N ATOM 164 HD22 ASN A 126 22.481 20.476 2.303 1.00 0.00 H ATOM 165 HD21 ASN A 126 22.241 21.771 1.074 1.00 0.00 H ATOM 166 H ASN A 126 20.361 18.320 1.213 1.00 0.00 H ATOM 167 N ARG A 127 23.253 15.626 -0.726 1.00 16.80 N ATOM 168 CA ARG A 127 23.803 14.268 -0.667 1.00 17.77 C ATOM 169 C ARG A 127 24.498 14.017 0.695 1.00 16.23 C ATOM 170 O ARG A 127 24.297 12.960 1.320 1.00 15.04 O ATOM 171 CB ARG A 127 24.747 14.063 -1.825 1.00 18.14 C ATOM 172 CG ARG A 127 25.587 12.799 -1.790 1.00 20.11 C ATOM 173 CD ARG A 127 26.734 12.849 -2.773 1.00 21.48 C ATOM 174 NE ARG A 127 27.310 11.499 -2.886 1.00 23.93 N ATOM 175 CZ ARG A 127 26.978 10.581 -3.792 1.00 23.11 C ATOM 176 NH1 ARG A 127 26.055 10.823 -4.713 1.00 23.48 N ATOM 177 NH2 ARG A 127 27.585 9.405 -3.787 1.00 23.68 N ATOM 178 HE ARG A 127 28.043 11.238 -2.196 1.00 0.00 H ATOM 179 HH12 ARG A 127 25.812 10.091 -5.411 1.00 0.00 H ATOM 180 HH11 ARG A 127 25.574 11.745 -4.738 1.00 0.00 H ATOM 181 HH22 ARG A 127 27.329 8.685 -4.492 1.00 0.00 H ATOM 182 HH21 ARG A 127 28.318 9.201 -3.078 1.00 0.00 H ATOM 183 H ARG A 127 23.519 16.239 -1.523 1.00 0.00 H ATOM 184 N GLU A 128 25.293 14.976 1.159 1.00 15.43 N ATOM 185 CA GLU A 128 25.980 14.834 2.463 1.00 17.55 C ATOM 186 C GLU A 128 24.965 14.706 3.624 1.00 16.03 C ATOM 187 O GLU A 128 25.215 13.945 4.578 1.00 16.07 O ATOM 188 CB GLU A 128 27.012 15.993 2.716 1.00 21.09 C ATOM 189 CG GLU A 128 28.312 15.826 1.922 1.00 24.18 C ATOM 190 CD GLU A 128 29.441 16.838 2.265 1.00 29.28 C ATOM 191 OE1 GLU A 128 30.574 16.433 2.657 1.00 32.61 O ATOM 192 OE2 GLU A 128 29.232 18.062 2.141 1.00 36.43 O ATOM 193 H GLU A 128 25.435 15.840 0.597 1.00 0.00 H ATOM 194 N ASP A 129 23.832 15.423 3.542 1.00 15.27 N ATOM 195 CA ASP A 129 22.818 15.374 4.575 1.00 15.91 C ATOM 196 C ASP A 129 22.158 14.012 4.575 1.00 12.50 C ATOM 197 O ASP A 129 21.877 13.482 5.666 1.00 13.23 O ATOM 198 CB ASP A 129 21.794 16.454 4.414 1.00 17.05 C ATOM 199 CG ASP A 129 22.367 17.894 4.579 1.00 22.05 C ATOM 200 OD1 ASP A 129 23.419 18.118 5.202 1.00 23.74 O ATOM 201 OD2 ASP A 129 21.732 18.780 3.983 1.00 30.22 O ATOM 202 H ASP A 129 23.678 16.031 2.712 1.00 0.00 H ATOM 203 N VAL A 130 21.916 13.446 3.394 1.00 11.88 N ATOM 204 CA VAL A 130 21.378 12.045 3.319 1.00 12.32 C ATOM 205 C VAL A 130 22.381 11.056 3.940 1.00 12.20 C ATOM 206 O VAL A 130 22.012 10.273 4.850 1.00 12.63 O ATOM 207 CB VAL A 130 21.115 11.649 1.891 1.00 10.78 C ATOM 208 CG1 VAL A 130 20.590 10.196 1.855 1.00 12.87 C ATOM 209 CG2 VAL A 130 20.105 12.525 1.242 1.00 12.75 C ATOM 210 H VAL A 130 22.100 13.977 2.519 1.00 0.00 H ATOM 211 N ASP A 131 23.657 11.166 3.568 1.00 11.85 N ATOM 212 CA ASP A 131 24.649 10.289 4.151 1.00 12.22 C ATOM 213 C ASP A 131 24.671 10.348 5.697 1.00 12.18 C ATOM 214 O ASP A 131 24.796 9.317 6.371 1.00 12.97 O ATOM 215 CB ASP A 131 26.056 10.619 3.635 1.00 13.09 C ATOM 216 CG ASP A 131 26.279 10.153 2.205 1.00 16.96 C ATOM 217 OD1 ASP A 131 25.619 9.210 1.743 1.00 17.13 O ATOM 218 OD2 ASP A 131 27.212 10.719 1.517 1.00 20.51 O ATOM 219 H ASP A 131 23.937 11.878 2.863 1.00 0.00 H ATOM 220 N TYR A 132 24.626 11.563 6.246 1.00 11.50 N ATOM 221 CA TYR A 132 24.714 11.810 7.650 1.00 13.98 C ATOM 222 C TYR A 132 23.474 11.238 8.354 1.00 11.28 C ATOM 223 O TYR A 132 23.585 10.553 9.369 1.00 12.93 O ATOM 224 CB TYR A 132 24.776 13.334 7.903 1.00 15.37 C ATOM 225 CG TYR A 132 25.011 13.659 9.326 1.00 15.65 C ATOM 226 CD1 TYR A 132 26.196 13.351 9.919 1.00 22.30 C ATOM 227 CD2 TYR A 132 23.996 14.240 10.106 1.00 18.90 C ATOM 228 CE1 TYR A 132 26.402 13.641 11.251 1.00 23.70 C ATOM 229 CE2 TYR A 132 24.210 14.532 11.432 1.00 22.76 C ATOM 230 CZ TYR A 132 25.391 14.218 12.000 1.00 25.60 C ATOM 231 OH TYR A 132 25.643 14.473 13.341 1.00 29.85 O ATOM 232 HH TYR A 132 26.559 14.173 13.566 1.00 0.00 H ATOM 233 H TYR A 132 24.520 12.381 5.612 1.00 0.00 H ATOM 234 N ALA A 133 22.306 11.512 7.817 1.00 12.08 N ATOM 235 CA ALA A 133 21.062 11.021 8.420 1.00 11.24 C ATOM 236 C ALA A 133 21.078 9.475 8.489 1.00 11.16 C ATOM 237 O ALA A 133 20.679 8.908 9.504 1.00 11.41 O ATOM 238 CB ALA A 133 19.856 11.510 7.717 1.00 14.22 C ATOM 239 H ALA A 133 22.263 12.086 6.951 1.00 0.00 H ATOM 240 N ILE A 134 21.456 8.832 7.396 1.00 11.04 N ATOM 241 CA ILE A 134 21.517 7.382 7.369 1.00 11.71 C ATOM 242 C ILE A 134 22.586 6.820 8.308 1.00 10.92 C ATOM 243 O ILE A 134 22.374 5.821 8.971 1.00 11.01 O ATOM 244 CB ILE A 134 21.712 6.841 5.946 1.00 11.34 C ATOM 245 CG1 ILE A 134 20.536 7.261 5.053 1.00 12.47 C ATOM 246 CG2 ILE A 134 21.882 5.331 5.981 1.00 12.10 C ATOM 247 CD1 ILE A 134 19.174 6.813 5.547 1.00 12.33 C ATOM 248 H ILE A 134 21.713 9.372 6.545 1.00 0.00 H ATOM 249 N ARG A 135 23.747 7.460 8.343 1.00 10.70 N ATOM 250 CA ARG A 135 24.811 7.011 9.223 1.00 13.27 C ATOM 251 C ARG A 135 24.374 7.119 10.681 1.00 13.28 C ATOM 252 O ARG A 135 24.609 6.225 11.467 1.00 12.90 O ATOM 253 CB ARG A 135 26.084 7.833 8.987 1.00 15.47 C ATOM 254 CG ARG A 135 27.079 7.815 10.139 1.00 19.26 C ATOM 255 CD ARG A 135 28.245 8.753 9.873 1.00 24.46 C ATOM 256 NE ARG A 135 28.940 9.131 11.099 1.00 35.85 N ATOM 257 CZ ARG A 135 29.093 10.379 11.531 1.00 44.14 C ATOM 258 NH1 ARG A 135 29.747 10.614 12.659 1.00 45.85 N ATOM 259 NH2 ARG A 135 28.606 11.396 10.837 1.00 47.45 N ATOM 260 HE ARG A 135 29.346 8.368 11.678 1.00 0.00 H ATOM 261 HH12 ARG A 135 29.867 11.590 12.997 1.00 0.00 H ATOM 262 HH11 ARG A 135 30.141 9.822 13.206 1.00 0.00 H ATOM 263 HH22 ARG A 135 28.731 12.369 11.183 1.00 0.00 H ATOM 264 HH21 ARG A 135 28.099 11.222 9.946 1.00 0.00 H ATOM 265 H ARG A 135 23.897 8.290 7.735 1.00 0.00 H ATOM 266 N LYS A 136 23.701 8.212 11.016 1.00 12.03 N ATOM 267 CA LYS A 136 23.264 8.429 12.391 1.00 13.73 C ATOM 268 C LYS A 136 22.154 7.422 12.692 1.00 12.69 C ATOM 269 O LYS A 136 22.109 6.945 13.851 1.00 12.56 O ATOM 270 CB LYS A 136 22.774 9.829 12.575 1.00 16.04 C ATOM 271 CG LYS A 136 23.956 10.864 12.623 1.00 18.63 C ATOM 272 CD LYS A 136 25.037 10.510 13.670 1.00 26.36 C ATOM 273 CE LYS A 136 26.307 11.290 13.581 1.00 37.13 C ATOM 274 NZ LYS A 136 27.396 10.657 14.407 1.00 44.74 N ATOM 275 HZ1 LYS A 136 27.098 10.621 15.403 1.00 0.00 H ATOM 276 HZ2 LYS A 136 27.574 9.692 14.062 1.00 0.00 H ATOM 277 HZ3 LYS A 136 28.265 11.222 14.324 1.00 0.00 H ATOM 278 H LYS A 136 23.482 8.923 10.289 1.00 0.00 H ATOM 279 N ALA A 137 21.277 7.129 11.751 1.00 11.07 N ATOM 280 CA ALA A 137 20.262 6.116 11.991 1.00 11.32 C ATOM 281 C ALA A 137 20.825 4.728 12.284 1.00 11.99 C ATOM 282 O ALA A 137 20.346 4.075 13.235 1.00 12.74 O ATOM 283 CB ALA A 137 19.256 6.074 10.871 1.00 12.23 C ATOM 284 H ALA A 137 21.312 7.623 10.837 1.00 0.00 H ATOM 285 N PHE A 138 21.817 4.253 11.550 1.00 11.18 N ATOM 286 CA PHE A 138 22.460 3.032 11.884 1.00 11.11 C ATOM 287 C PHE A 138 23.176 3.105 13.243 1.00 13.73 C ATOM 288 O PHE A 138 23.204 2.140 13.991 1.00 13.62 O ATOM 289 CB PHE A 138 23.459 2.690 10.804 1.00 11.79 C ATOM 290 CG PHE A 138 22.873 2.034 9.655 1.00 10.52 C ATOM 291 CD1 PHE A 138 22.442 0.697 9.760 1.00 10.65 C ATOM 292 CD2 PHE A 138 22.680 2.702 8.444 1.00 11.21 C ATOM 293 CE1 PHE A 138 21.846 0.076 8.694 1.00 10.99 C ATOM 294 CE2 PHE A 138 22.108 2.066 7.350 1.00 11.74 C ATOM 295 CZ PHE A 138 21.662 0.726 7.472 1.00 11.05 C ATOM 296 H PHE A 138 22.132 4.783 10.713 1.00 0.00 H ATOM 297 N GLN A 139 23.759 4.242 13.571 1.00 12.39 N ATOM 298 CA GLN A 139 24.402 4.419 14.870 1.00 14.69 C ATOM 299 C GLN A 139 23.462 4.253 16.036 1.00 14.97 C ATOM 300 O GLN A 139 23.863 3.713 17.066 1.00 14.92 O ATOM 301 CB GLN A 139 25.143 5.754 14.903 1.00 16.49 C ATOM 302 CG GLN A 139 25.622 6.239 16.260 1.00 20.47 C ATOM 303 CD GLN A 139 26.398 7.529 16.133 1.00 23.36 C ATOM 304 OE1 GLN A 139 25.811 8.602 16.240 1.00 30.17 O ATOM 305 NE2 GLN A 139 27.706 7.437 15.836 1.00 27.30 N ATOM 306 HE22 GLN A 139 28.157 6.503 15.757 1.00 0.00 H ATOM 307 HE21 GLN A 139 28.267 8.300 15.686 1.00 0.00 H ATOM 308 H GLN A 139 23.761 5.028 12.890 1.00 0.00 H ATOM 309 N VAL A 140 22.188 4.635 15.870 1.00 12.65 N ATOM 310 CA VAL A 140 21.209 4.420 16.918 1.00 14.95 C ATOM 311 C VAL A 140 21.100 2.912 17.266 1.00 13.85 C ATOM 312 O VAL A 140 21.129 2.552 18.470 1.00 12.83 O ATOM 313 CB VAL A 140 19.874 5.012 16.509 1.00 14.13 C ATOM 314 CG1 VAL A 140 18.711 4.533 17.385 1.00 13.75 C ATOM 315 CG2 VAL A 140 19.959 6.488 16.479 1.00 13.11 C ATOM 316 H VAL A 140 21.899 5.090 14.981 1.00 0.00 H ATOM 317 N TRP A 141 21.066 2.053 16.264 1.00 11.49 N ATOM 318 CA TRP A 141 20.926 0.652 16.515 1.00 11.65 C ATOM 319 C TRP A 141 22.216 0.044 16.963 1.00 12.82 C ATOM 320 O TRP A 141 22.227 -0.855 17.826 1.00 14.16 O ATOM 321 CB TRP A 141 20.375 -0.024 15.334 1.00 11.30 C ATOM 322 CG TRP A 141 18.933 0.386 15.042 1.00 11.11 C ATOM 323 CD1 TRP A 141 18.497 1.073 13.975 1.00 10.13 C ATOM 324 CD2 TRP A 141 17.775 0.124 15.834 1.00 12.47 C ATOM 325 NE1 TRP A 141 17.157 1.294 14.045 1.00 11.37 N ATOM 326 CE2 TRP A 141 16.658 0.663 15.145 1.00 12.26 C ATOM 327 CE3 TRP A 141 17.556 -0.514 17.089 1.00 13.89 C ATOM 328 CZ2 TRP A 141 15.352 0.599 15.657 1.00 13.11 C ATOM 329 CZ3 TRP A 141 16.244 -0.625 17.557 1.00 12.52 C ATOM 330 CH2 TRP A 141 15.182 -0.045 16.874 1.00 12.73 C ATOM 331 HE1 TRP A 141 16.602 1.855 13.368 1.00 0.00 H ATOM 332 H TRP A 141 21.142 2.397 15.286 1.00 0.00 H ATOM 333 N SER A 142 23.311 0.478 16.356 1.00 12.86 N ATOM 334 CA SER A 142 24.627 0.002 16.834 1.00 13.46 C ATOM 335 C SER A 142 24.930 0.362 18.291 1.00 14.82 C ATOM 336 O SER A 142 25.598 -0.430 18.951 1.00 19.26 O ATOM 337 CB SER A 142 25.710 0.594 15.901 1.00 16.87 C ATOM 338 OG SER A 142 26.956 0.161 16.355 1.00 15.78 O ATOM 339 HG SER A 142 26.989 -0.828 16.332 1.00 0.00 H ATOM 340 H SER A 142 23.246 1.141 15.558 1.00 0.00 H ATOM 341 N ASN A 143 24.406 1.466 18.793 1.00 14.94 N ATOM 342 CA ASN A 143 24.646 1.901 20.163 1.00 15.98 C ATOM 343 C ASN A 143 23.967 1.009 21.200 1.00 14.50 C ATOM 344 O ASN A 143 24.261 1.160 22.395 1.00 16.10 O ATOM 345 CB ASN A 143 24.307 3.348 20.383 1.00 18.07 C ATOM 346 CG ASN A 143 25.390 4.288 19.780 1.00 19.68 C ATOM 347 OD1 ASN A 143 26.454 3.859 19.464 1.00 21.86 O ATOM 348 ND2 ASN A 143 25.077 5.565 19.670 1.00 26.87 N ATOM 349 HD22 ASN A 143 24.134 5.896 19.959 1.00 0.00 H ATOM 350 HD21 ASN A 143 25.773 6.241 19.295 1.00 0.00 H ATOM 351 H ASN A 143 23.796 2.049 18.185 1.00 0.00 H ATOM 352 N VAL A 144 23.074 0.122 20.782 1.00 12.22 N ATOM 353 CA VAL A 144 22.348 -0.751 21.746 1.00 14.04 C ATOM 354 C VAL A 144 22.466 -2.224 21.435 1.00 14.74 C ATOM 355 O VAL A 144 21.673 -3.055 21.951 1.00 15.67 O ATOM 356 CB VAL A 144 20.919 -0.299 21.899 1.00 13.37 C ATOM 357 CG1 VAL A 144 20.806 1.057 22.497 1.00 13.42 C ATOM 358 CG2 VAL A 144 20.137 -0.371 20.565 1.00 17.20 C ATOM 359 H VAL A 144 22.877 0.035 19.764 1.00 0.00 H ATOM 360 N THR A 145 23.386 -2.598 20.561 1.00 15.84 N ATOM 361 CA THR A 145 23.630 -3.954 20.097 1.00 14.32 C ATOM 362 C THR A 145 25.136 -4.199 19.843 1.00 15.87 C ATOM 363 O THR A 145 25.925 -3.265 19.830 1.00 16.48 O ATOM 364 CB THR A 145 22.894 -4.222 18.757 1.00 17.85 C ATOM 365 OG1 THR A 145 23.500 -3.443 17.715 1.00 17.63 O ATOM 366 CG2 THR A 145 21.434 -3.989 18.842 1.00 17.07 C ATOM 367 HG1 THR A 145 23.434 -2.482 17.942 1.00 0.00 H ATOM 368 H THR A 145 23.993 -1.850 20.168 1.00 0.00 H ATOM 369 N PRO A 146 25.505 -5.444 19.658 1.00 17.32 N ATOM 370 CA PRO A 146 26.833 -5.764 19.153 1.00 18.44 C ATOM 371 C PRO A 146 27.010 -5.537 17.678 1.00 18.70 C ATOM 372 O PRO A 146 28.075 -5.862 17.151 1.00 20.75 O ATOM 373 CB PRO A 146 26.941 -7.253 19.396 1.00 18.08 C ATOM 374 CG PRO A 146 25.821 -7.629 20.186 1.00 19.55 C ATOM 375 CD PRO A 146 24.741 -6.672 19.968 1.00 19.85 C ATOM 376 N LEU A 147 25.995 -4.992 16.984 1.00 17.01 N ATOM 377 CA LEU A 147 26.092 -4.828 15.546 1.00 18.60 C ATOM 378 C LEU A 147 27.107 -3.806 15.136 1.00 17.87 C ATOM 379 O LEU A 147 27.156 -2.741 15.699 1.00 19.26 O ATOM 380 CB LEU A 147 24.739 -4.465 14.955 1.00 17.79 C ATOM 381 CG LEU A 147 23.725 -5.575 15.108 1.00 18.43 C ATOM 382 CD1 LEU A 147 22.418 -5.097 14.526 1.00 19.80 C ATOM 383 CD2 LEU A 147 24.191 -6.830 14.455 1.00 21.51 C ATOM 384 H LEU A 147 25.135 -4.686 17.482 1.00 0.00 H ATOM 385 N LYS A 148 27.875 -4.156 14.109 1.00 18.98 N ATOM 386 CA LYS A 148 28.861 -3.251 13.493 1.00 19.16 C ATOM 387 C LYS A 148 28.344 -3.033 12.049 1.00 17.07 C ATOM 388 O LYS A 148 28.145 -3.956 11.289 1.00 17.52 O ATOM 389 CB LYS A 148 30.232 -3.890 13.521 1.00 24.18 C ATOM 390 CG LYS A 148 31.429 -2.975 13.664 1.00 31.22 C ATOM 391 CD LYS A 148 31.676 -2.194 12.446 1.00 30.14 C ATOM 392 CE LYS A 148 32.648 -1.061 12.676 1.00 28.46 C ATOM 393 NZ LYS A 148 33.843 -1.581 13.290 1.00 26.71 N ATOM 394 HZ1 LYS A 148 33.600 -2.024 14.199 1.00 0.00 H ATOM 395 HZ2 LYS A 148 34.274 -2.290 12.662 1.00 0.00 H ATOM 396 HZ3 LYS A 148 34.515 -0.804 13.450 1.00 0.00 H ATOM 397 H LYS A 148 27.775 -5.116 13.721 1.00 0.00 H ATOM 398 N PHE A 149 28.065 -1.774 11.729 1.00 15.08 N ATOM 399 CA PHE A 149 27.624 -1.395 10.381 1.00 14.88 C ATOM 400 C PHE A 149 28.787 -0.747 9.596 1.00 15.43 C ATOM 401 O PHE A 149 29.596 -0.011 10.169 1.00 16.75 O ATOM 402 CB PHE A 149 26.485 -0.408 10.450 1.00 14.49 C ATOM 403 CG PHE A 149 25.240 -0.981 11.112 1.00 14.38 C ATOM 404 CD1 PHE A 149 24.512 -1.989 10.471 1.00 17.32 C ATOM 405 CD2 PHE A 149 24.794 -0.503 12.349 1.00 14.06 C ATOM 406 CE1 PHE A 149 23.362 -2.581 11.089 1.00 14.61 C ATOM 407 CE2 PHE A 149 23.643 -1.060 12.936 1.00 14.27 C ATOM 408 CZ PHE A 149 22.978 -2.092 12.274 1.00 14.19 C ATOM 409 H PHE A 149 28.162 -1.035 12.455 1.00 0.00 H ATOM 410 N SER A 150 28.904 -1.097 8.333 1.00 14.80 N ATOM 411 CA SER A 150 29.922 -0.499 7.455 1.00 14.92 C ATOM 412 C SER A 150 29.227 -0.036 6.190 1.00 16.15 C ATOM 413 O SER A 150 28.586 -0.812 5.510 1.00 15.05 O ATOM 414 CB SER A 150 30.965 -1.551 7.091 1.00 17.55 C ATOM 415 OG SER A 150 31.884 -1.029 6.209 1.00 20.27 O ATOM 416 HG SER A 150 32.338 -0.255 6.627 1.00 0.00 H ATOM 417 H SER A 150 28.260 -1.815 7.945 1.00 0.00 H ATOM 418 N LYS A 151 29.312 1.262 5.974 1.00 13.77 N ATOM 419 CA LYS A 151 28.887 1.860 4.731 1.00 13.13 C ATOM 420 C LYS A 151 29.756 1.484 3.552 1.00 14.55 C ATOM 421 O LYS A 151 30.969 1.639 3.634 1.00 12.28 O ATOM 422 CB LYS A 151 28.921 3.372 4.884 1.00 14.69 C ATOM 423 CG LYS A 151 28.363 4.124 3.665 1.00 15.78 C ATOM 424 CD LYS A 151 28.584 5.618 3.891 1.00 20.01 C ATOM 425 CE LYS A 151 28.133 6.439 2.711 1.00 25.37 C ATOM 426 NZ LYS A 151 26.649 6.479 2.584 1.00 25.87 N ATOM 427 HZ1 LYS A 151 26.287 5.512 2.462 1.00 0.00 H ATOM 428 HZ2 LYS A 151 26.240 6.898 3.444 1.00 0.00 H ATOM 429 HZ3 LYS A 151 26.388 7.055 1.758 1.00 0.00 H ATOM 430 H LYS A 151 29.697 1.873 6.722 1.00 0.00 H ATOM 431 N ILE A 152 29.121 1.086 2.453 1.00 14.09 N ATOM 432 CA ILE A 152 29.793 0.819 1.184 1.00 14.46 C ATOM 433 C ILE A 152 29.270 1.788 0.130 1.00 14.78 C ATOM 434 O ILE A 152 28.059 2.011 0.057 1.00 14.54 O ATOM 435 CB ILE A 152 29.485 -0.607 0.714 1.00 14.43 C ATOM 436 CG1 ILE A 152 29.295 -1.526 1.913 1.00 14.44 C ATOM 437 CG2 ILE A 152 30.615 -1.137 -0.140 1.00 14.42 C ATOM 438 CD1 ILE A 152 30.580 -1.792 2.656 1.00 14.49 C ATOM 439 H ILE A 152 28.090 0.958 2.500 1.00 0.00 H ATOM 440 N ASN A 153 30.161 2.357 -0.686 1.00 14.38 N ATOM 441 CA ASN A 153 29.740 3.239 -1.766 1.00 18.19 C ATOM 442 C ASN A 153 29.292 2.496 -2.993 1.00 16.52 C ATOM 443 O ASN A 153 28.405 2.943 -3.664 1.00 19.59 O ATOM 444 CB ASN A 153 30.830 4.219 -2.202 1.00 23.38 C ATOM 445 CG ASN A 153 31.242 5.169 -1.120 1.00 31.23 C ATOM 446 OD1 ASN A 153 30.410 5.591 -0.324 1.00 38.84 O ATOM 447 ND2 ASN A 153 32.537 5.576 -1.128 1.00 38.95 N ATOM 448 HD22 ASN A 153 33.201 5.185 -1.826 1.00 0.00 H ATOM 449 HD21 ASN A 153 32.865 6.279 -0.436 1.00 0.00 H ATOM 450 H ASN A 153 31.174 2.167 -0.548 1.00 0.00 H ATOM 451 N THR A 154 29.873 1.333 -3.279 1.00 15.70 N ATOM 452 CA THR A 154 29.571 0.531 -4.396 1.00 15.78 C ATOM 453 C THR A 154 29.739 -0.903 -3.968 1.00 15.32 C ATOM 454 O THR A 154 30.579 -1.219 -3.161 1.00 15.16 O ATOM 455 CB THR A 154 30.471 0.799 -5.661 1.00 24.05 C ATOM 456 OG1 THR A 154 31.842 0.571 -5.290 1.00 26.74 O ATOM 457 CG2 THR A 154 30.287 2.165 -6.090 1.00 23.40 C ATOM 458 HG1 THR A 154 32.091 1.188 -4.557 1.00 0.00 H ATOM 459 H THR A 154 30.607 0.990 -2.627 1.00 0.00 H ATOM 460 N GLY A 155 28.995 -1.761 -4.629 1.00 15.01 N ATOM 461 CA GLY A 155 29.094 -3.209 -4.366 1.00 14.10 C ATOM 462 C GLY A 155 27.889 -3.784 -3.666 1.00 13.16 C ATOM 463 O GLY A 155 26.853 -3.181 -3.593 1.00 17.59 O ATOM 464 H GLY A 155 28.327 -1.414 -5.347 1.00 0.00 H ATOM 465 N MET A 156 28.026 -5.025 -3.212 1.00 13.79 N ATOM 466 CA MET A 156 26.902 -5.829 -2.743 1.00 16.83 C ATOM 467 C MET A 156 26.737 -5.715 -1.279 1.00 18.41 C ATOM 468 O MET A 156 27.534 -6.246 -0.495 1.00 25.06 O ATOM 469 CB MET A 156 27.115 -7.317 -3.140 1.00 20.77 C ATOM 470 CG MET A 156 27.170 -7.516 -4.597 1.00 28.30 C ATOM 471 SD MET A 156 27.006 -9.223 -5.171 1.00 44.21 S ATOM 472 CE MET A 156 25.289 -9.592 -4.757 1.00 42.91 C ATOM 473 H MET A 156 28.978 -5.443 -3.190 1.00 0.00 H ATOM 474 N ALA A 157 25.740 -4.948 -0.842 1.00 13.96 N ATOM 475 CA ALA A 157 25.545 -4.669 0.556 1.00 15.11 C ATOM 476 C ALA A 157 24.427 -5.526 1.123 1.00 14.16 C ATOM 477 O ALA A 157 23.535 -5.982 0.355 1.00 15.65 O ATOM 478 CB ALA A 157 25.177 -3.194 0.747 1.00 14.33 C ATOM 479 H ALA A 157 25.081 -4.537 -1.534 1.00 0.00 H ATOM 480 N ASP A 158 24.442 -5.706 2.413 1.00 13.70 N ATOM 481 CA ASP A 158 23.302 -6.370 3.077 1.00 14.74 C ATOM 482 C ASP A 158 22.016 -5.540 3.001 1.00 12.92 C ATOM 483 O ASP A 158 20.916 -6.062 2.736 1.00 13.62 O ATOM 484 CB ASP A 158 23.623 -6.649 4.515 1.00 16.22 C ATOM 485 CG ASP A 158 24.699 -7.637 4.679 1.00 19.02 C ATOM 486 OD1 ASP A 158 24.547 -8.712 4.102 1.00 22.68 O ATOM 487 OD2 ASP A 158 25.688 -7.367 5.442 1.00 19.64 O ATOM 488 H ASP A 158 25.255 -5.383 2.975 1.00 0.00 H ATOM 489 N ILE A 159 22.156 -4.257 3.247 1.00 12.20 N ATOM 490 CA ILE A 159 21.020 -3.336 3.400 1.00 12.40 C ATOM 491 C ILE A 159 21.205 -2.320 2.299 1.00 12.19 C ATOM 492 O ILE A 159 22.125 -1.534 2.357 1.00 13.24 O ATOM 493 CB ILE A 159 20.938 -2.698 4.792 1.00 11.67 C ATOM 494 CG1 ILE A 159 20.611 -3.780 5.853 1.00 12.09 C ATOM 495 CG2 ILE A 159 19.969 -1.552 4.806 1.00 11.93 C ATOM 496 CD1 ILE A 159 20.700 -3.233 7.263 1.00 13.84 C ATOM 497 H ILE A 159 23.118 -3.874 3.338 1.00 0.00 H ATOM 498 N LEU A 160 20.340 -2.317 1.315 1.00 11.00 N ATOM 499 CA LEU A 160 20.297 -1.197 0.342 1.00 11.61 C ATOM 500 C LEU A 160 19.215 -0.171 0.723 1.00 12.59 C ATOM 501 O LEU A 160 18.055 -0.503 0.980 1.00 12.85 O ATOM 502 CB LEU A 160 20.040 -1.776 -1.044 1.00 13.83 C ATOM 503 CG LEU A 160 20.318 -0.902 -2.206 1.00 14.87 C ATOM 504 CD1 LEU A 160 21.818 -0.670 -2.393 1.00 16.86 C ATOM 505 CD2 LEU A 160 19.827 -1.588 -3.480 1.00 14.93 C ATOM 506 H LEU A 160 19.675 -3.110 1.214 1.00 0.00 H ATOM 507 N VAL A 161 19.606 1.108 0.744 1.00 10.46 N ATOM 508 CA VAL A 161 18.780 2.202 0.936 1.00 11.60 C ATOM 509 C VAL A 161 18.397 2.777 -0.408 1.00 9.81 C ATOM 510 O VAL A 161 19.256 3.083 -1.209 1.00 12.70 O ATOM 511 CB VAL A 161 19.476 3.254 1.805 1.00 11.79 C ATOM 512 CG1 VAL A 161 18.699 4.589 1.848 1.00 14.90 C ATOM 513 CG2 VAL A 161 19.701 2.736 3.243 1.00 12.88 C ATOM 514 H VAL A 161 20.619 1.297 0.604 1.00 0.00 H ATOM 515 N VAL A 162 17.085 2.906 -0.662 1.00 9.90 N ATOM 516 CA VAL A 162 16.611 3.341 -1.954 1.00 10.16 C ATOM 517 C VAL A 162 15.521 4.382 -1.747 1.00 10.12 C ATOM 518 O VAL A 162 14.681 4.263 -0.857 1.00 10.37 O ATOM 519 CB VAL A 162 15.927 2.169 -2.693 1.00 10.39 C ATOM 520 CG1 VAL A 162 15.354 2.526 -4.039 1.00 11.18 C ATOM 521 CG2 VAL A 162 16.868 0.950 -2.804 1.00 11.22 C ATOM 522 H VAL A 162 16.397 2.688 0.087 1.00 0.00 H ATOM 523 N PHE A 163 15.540 5.447 -2.575 1.00 8.74 N ATOM 524 CA PHE A 163 14.449 6.330 -2.723 1.00 9.56 C ATOM 525 C PHE A 163 13.745 6.081 -4.045 1.00 9.49 C ATOM 526 O PHE A 163 14.373 6.116 -5.097 1.00 10.30 O ATOM 527 CB PHE A 163 14.903 7.807 -2.648 1.00 9.49 C ATOM 528 CG PHE A 163 15.547 8.197 -1.340 1.00 10.09 C ATOM 529 CD1 PHE A 163 16.883 7.973 -1.092 1.00 10.03 C ATOM 530 CD2 PHE A 163 14.820 8.775 -0.367 1.00 10.99 C ATOM 531 CE1 PHE A 163 17.467 8.335 0.075 1.00 12.56 C ATOM 532 CE2 PHE A 163 15.372 9.148 0.823 1.00 12.08 C ATOM 533 CZ PHE A 163 16.683 8.877 1.050 1.00 12.17 C ATOM 534 H PHE A 163 16.400 5.626 -3.131 1.00 0.00 H ATOM 535 N ALA A 164 12.426 5.881 -4.004 1.00 10.10 N ATOM 536 CA ALA A 164 11.677 5.559 -5.230 1.00 12.83 C ATOM 537 C ALA A 164 10.261 5.891 -4.997 1.00 11.37 C ATOM 538 O ALA A 164 9.827 6.126 -3.864 1.00 11.79 O ATOM 539 CB ALA A 164 11.806 4.058 -5.570 1.00 13.61 C ATOM 540 H ALA A 164 11.922 5.953 -3.097 1.00 0.00 H ATOM 541 N ARG A 165 9.519 5.964 -6.086 1.00 12.65 N ATOM 542 CA ARG A 165 8.148 6.321 -5.984 1.00 14.00 C ATOM 543 C ARG A 165 7.270 5.266 -6.626 1.00 12.80 C ATOM 544 O ARG A 165 7.744 4.419 -7.409 1.00 10.51 O ATOM 545 CB ARG A 165 7.860 7.659 -6.592 1.00 17.25 C ATOM 546 CG ARG A 165 7.940 7.714 -8.069 1.00 19.97 C ATOM 547 CD ARG A 165 7.427 9.102 -8.526 1.00 25.26 C ATOM 548 NE ARG A 165 8.270 10.213 -8.116 1.00 29.42 N ATOM 549 CZ ARG A 165 9.462 10.505 -8.637 1.00 36.52 C ATOM 550 NH1 ARG A 165 10.121 11.565 -8.179 1.00 32.61 N ATOM 551 NH2 ARG A 165 10.015 9.717 -9.607 1.00 39.62 N ATOM 552 HE ARG A 165 7.915 10.829 -7.356 1.00 0.00 H ATOM 553 HH12 ARG A 165 11.052 11.809 -8.573 1.00 0.00 H ATOM 554 HH11 ARG A 165 9.705 12.151 -7.427 1.00 0.00 H ATOM 555 HH22 ARG A 165 10.946 9.957 -10.004 1.00 0.00 H ATOM 556 HH21 ARG A 165 9.505 8.877 -9.948 1.00 0.00 H ATOM 557 H ARG A 165 9.937 5.761 -7.016 1.00 0.00 H ATOM 558 N GLY A 166 6.012 5.310 -6.277 1.00 10.71 N ATOM 559 CA GLY A 166 5.043 4.367 -6.863 1.00 11.26 C ATOM 560 C GLY A 166 5.525 2.958 -6.885 1.00 12.15 C ATOM 561 O GLY A 166 6.116 2.511 -5.923 1.00 10.64 O ATOM 562 H GLY A 166 5.693 6.014 -5.582 1.00 0.00 H ATOM 563 N ALA A 167 5.321 2.270 -7.993 1.00 11.58 N ATOM 564 CA ALA A 167 5.796 0.886 -8.168 1.00 11.75 C ATOM 565 C ALA A 167 7.258 0.933 -8.517 1.00 12.51 C ATOM 566 O ALA A 167 7.691 1.678 -9.427 1.00 12.32 O ATOM 567 CB ALA A 167 5.026 0.187 -9.211 1.00 13.36 C ATOM 568 H ALA A 167 4.804 2.723 -8.774 1.00 0.00 H ATOM 569 N HIS A 168 8.054 0.214 -7.740 1.00 11.08 N ATOM 570 CA HIS A 168 9.491 0.333 -7.760 1.00 12.45 C ATOM 571 C HIS A 168 10.136 -1.024 -7.609 1.00 15.38 C ATOM 572 O HIS A 168 11.306 -1.114 -7.138 1.00 16.27 O ATOM 573 CB HIS A 168 9.969 1.337 -6.719 1.00 13.68 C ATOM 574 CG HIS A 168 9.573 0.954 -5.298 1.00 10.98 C ATOM 575 ND1 HIS A 168 8.348 1.250 -4.764 1.00 9.73 N ATOM 576 CD2 HIS A 168 10.236 0.257 -4.371 1.00 9.64 C ATOM 577 CE1 HIS A 168 8.259 0.656 -3.565 1.00 9.25 C ATOM 578 NE2 HIS A 168 9.417 0.108 -3.284 1.00 8.78 N ATOM 579 H HIS A 168 7.622 -0.468 -7.085 1.00 0.00 H ATOM 580 N GLY A 169 9.491 -2.035 -8.177 1.00 17.75 N ATOM 581 CA GLY A 169 10.150 -3.304 -8.366 1.00 19.26 C ATOM 582 C GLY A 169 10.049 -4.359 -7.319 1.00 19.76 C ATOM 583 O GLY A 169 10.733 -5.357 -7.434 1.00 23.26 O ATOM 584 H GLY A 169 8.506 -1.912 -8.487 1.00 0.00 H ATOM 585 N ASP A 170 9.205 -4.172 -6.309 1.00 16.33 N ATOM 586 CA ASP A 170 9.104 -5.146 -5.227 1.00 20.01 C ATOM 587 C ASP A 170 7.758 -5.623 -4.869 1.00 26.35 C ATOM 588 O ASP A 170 7.636 -6.273 -3.854 1.00 35.91 O ATOM 589 CB ASP A 170 9.841 -4.668 -3.981 1.00 17.99 C ATOM 590 CG ASP A 170 9.244 -3.409 -3.353 1.00 16.94 C ATOM 591 OD1 ASP A 170 8.135 -2.993 -3.743 1.00 16.64 O ATOM 592 OD2 ASP A 170 9.935 -2.851 -2.422 1.00 14.58 O ATOM 593 H ASP A 170 8.609 -3.320 -6.290 1.00 0.00 H ATOM 594 N ASP A 171 6.731 -5.303 -5.624 1.00 25.06 N ATOM 595 CA ASP A 171 5.381 -5.811 -5.249 1.00 27.86 C ATOM 596 C ASP A 171 4.706 -5.084 -4.070 1.00 24.12 C ATOM 597 O ASP A 171 3.588 -5.400 -3.692 1.00 22.73 O ATOM 598 CB ASP A 171 5.316 -7.354 -5.017 1.00 33.58 C ATOM 599 CG ASP A 171 5.809 -8.158 -6.223 1.00 37.89 C ATOM 600 OD1 ASP A 171 5.600 -7.759 -7.402 1.00 46.00 O ATOM 601 OD2 ASP A 171 6.416 -9.208 -6.021 1.00 42.49 O ATOM 602 H ASP A 171 6.858 -4.707 -6.467 1.00 0.00 H ATOM 603 N HIS A 172 5.354 -4.043 -3.536 1.00 17.32 N ATOM 604 CA HIS A 172 4.806 -3.158 -2.590 1.00 14.41 C ATOM 605 C HIS A 172 4.941 -1.700 -3.080 1.00 13.04 C ATOM 606 O HIS A 172 5.812 -0.909 -2.585 1.00 13.89 O ATOM 607 CB HIS A 172 5.499 -3.340 -1.249 1.00 17.69 C ATOM 608 CG HIS A 172 5.360 -4.732 -0.723 1.00 20.63 C ATOM 609 ND1 HIS A 172 4.305 -5.089 0.088 1.00 23.54 N ATOM 610 CD2 HIS A 172 6.090 -5.846 -0.940 1.00 25.08 C ATOM 611 CE1 HIS A 172 4.413 -6.385 0.364 1.00 27.09 C ATOM 612 NE2 HIS A 172 5.476 -6.866 -0.240 1.00 25.26 N ATOM 613 H HIS A 172 6.334 -3.876 -3.842 1.00 0.00 H ATOM 614 N ALA A 173 4.070 -1.349 -3.986 1.00 10.61 N ATOM 615 CA ALA A 173 4.154 -0.002 -4.570 1.00 10.87 C ATOM 616 C ALA A 173 3.830 1.028 -3.547 1.00 10.54 C ATOM 617 O ALA A 173 2.961 0.840 -2.684 1.00 11.50 O ATOM 618 CB ALA A 173 3.255 0.064 -5.764 1.00 11.36 C ATOM 619 H ALA A 173 3.328 -2.011 -4.290 1.00 0.00 H ATOM 620 N PHE A 174 4.476 2.184 -3.648 1.00 10.26 N ATOM 621 CA PHE A 174 4.120 3.364 -2.877 1.00 10.82 C ATOM 622 C PHE A 174 2.921 4.069 -3.406 1.00 14.20 C ATOM 623 O PHE A 174 2.492 3.800 -4.570 1.00 13.45 O ATOM 624 CB PHE A 174 5.346 4.324 -2.780 1.00 10.54 C ATOM 625 CG PHE A 174 6.448 3.861 -1.875 1.00 10.12 C ATOM 626 CD1 PHE A 174 6.169 3.333 -0.592 1.00 11.37 C ATOM 627 CD2 PHE A 174 7.788 3.965 -2.256 1.00 10.35 C ATOM 628 CE1 PHE A 174 7.169 3.017 0.212 1.00 9.57 C ATOM 629 CE2 PHE A 174 8.772 3.538 -1.423 1.00 9.44 C ATOM 630 CZ PHE A 174 8.424 3.061 -0.211 1.00 10.36 C ATOM 631 H PHE A 174 5.275 2.248 -4.311 1.00 0.00 H ATOM 632 N ASP A 175 2.454 5.037 -2.669 1.00 13.30 N ATOM 633 CA ASP A 175 1.075 5.550 -2.858 1.00 13.51 C ATOM 634 C ASP A 175 1.042 7.035 -3.066 1.00 13.74 C ATOM 635 O ASP A 175 0.016 7.600 -2.882 1.00 16.08 O ATOM 636 CB ASP A 175 0.249 5.157 -1.632 1.00 13.20 C ATOM 637 CG ASP A 175 0.846 5.698 -0.312 1.00 12.27 C ATOM 638 OD1 ASP A 175 1.988 6.287 -0.348 1.00 10.59 O ATOM 639 OD2 ASP A 175 0.183 5.549 0.717 1.00 13.89 O ATOM 640 H ASP A 175 3.059 5.457 -1.935 1.00 0.00 H ATOM 641 N GLY A 176 2.117 7.649 -3.499 1.00 12.95 N ATOM 642 CA GLY A 176 2.143 9.114 -3.643 1.00 11.49 C ATOM 643 C GLY A 176 2.356 9.876 -2.368 1.00 12.20 C ATOM 644 O GLY A 176 2.724 9.299 -1.355 1.00 11.41 O ATOM 645 H GLY A 176 2.962 7.094 -3.744 1.00 0.00 H ATOM 646 N LYS A 177 2.184 11.182 -2.410 1.00 14.72 N ATOM 647 CA LYS A 177 2.463 12.007 -1.287 1.00 15.05 C ATOM 648 C LYS A 177 1.538 11.677 -0.138 1.00 15.30 C ATOM 649 O LYS A 177 0.336 11.518 -0.339 1.00 17.20 O ATOM 650 CB LYS A 177 2.378 13.521 -1.632 1.00 19.64 C ATOM 651 CG LYS A 177 2.869 14.364 -0.413 1.00 24.49 C ATOM 652 CD LYS A 177 3.144 15.792 -0.744 1.00 28.98 C ATOM 653 CE LYS A 177 4.094 16.426 0.264 1.00 38.38 C ATOM 654 NZ LYS A 177 3.539 16.364 1.621 1.00 41.96 N ATOM 655 HZ1 LYS A 177 2.634 16.875 1.648 1.00 0.00 H ATOM 656 HZ2 LYS A 177 3.385 15.370 1.886 1.00 0.00 H ATOM 657 HZ3 LYS A 177 4.206 16.803 2.287 1.00 0.00 H ATOM 658 H LYS A 177 1.835 11.620 -3.287 1.00 0.00 H ATOM 659 N GLY A 178 2.106 11.542 1.051 1.00 16.89 N ATOM 660 CA GLY A 178 1.346 11.140 2.185 1.00 16.41 C ATOM 661 C GLY A 178 1.198 9.646 2.296 1.00 14.66 C ATOM 662 O GLY A 178 1.838 8.889 1.605 1.00 14.11 O ATOM 663 H GLY A 178 3.123 11.733 1.157 1.00 0.00 H ATOM 664 N GLY A 179 0.238 9.197 3.114 1.00 14.72 N ATOM 665 CA GLY A 179 0.090 7.787 3.282 1.00 14.07 C ATOM 666 C GLY A 179 1.400 7.113 3.741 1.00 13.85 C ATOM 667 O GLY A 179 2.079 7.621 4.648 1.00 15.79 O ATOM 668 H GLY A 179 -0.386 9.861 3.616 1.00 0.00 H ATOM 669 N ILE A 180 1.708 5.993 3.100 1.00 12.65 N ATOM 670 CA ILE A 180 2.906 5.252 3.392 1.00 12.87 C ATOM 671 C ILE A 180 4.135 6.098 3.105 1.00 13.14 C ATOM 672 O ILE A 180 4.269 6.694 2.013 1.00 12.78 O ATOM 673 CB ILE A 180 2.960 3.936 2.599 1.00 12.64 C ATOM 674 CG1 ILE A 180 1.846 3.012 3.077 1.00 13.44 C ATOM 675 CG2 ILE A 180 4.264 3.256 2.765 1.00 12.49 C ATOM 676 CD1 ILE A 180 1.954 2.512 4.502 1.00 18.76 C ATOM 677 H ILE A 180 1.064 5.640 2.364 1.00 0.00 H ATOM 678 N LEU A 181 5.074 6.167 4.072 1.00 13.06 N ATOM 679 CA LEU A 181 6.280 6.988 3.955 1.00 11.39 C ATOM 680 C LEU A 181 7.424 6.178 3.439 1.00 10.01 C ATOM 681 O LEU A 181 8.308 6.689 2.751 1.00 10.04 O ATOM 682 CB LEU A 181 6.689 7.556 5.319 1.00 11.44 C ATOM 683 CG LEU A 181 5.599 8.363 6.030 1.00 12.06 C ATOM 684 CD1 LEU A 181 6.046 8.733 7.433 1.00 14.55 C ATOM 685 CD2 LEU A 181 5.236 9.648 5.250 1.00 13.91 C ATOM 686 H LEU A 181 4.934 5.611 4.940 1.00 0.00 H ATOM 687 N ALA A 182 7.512 4.892 3.859 1.00 8.85 N ATOM 688 CA ALA A 182 8.657 4.051 3.643 1.00 9.52 C ATOM 689 C ALA A 182 8.306 2.649 4.001 1.00 10.29 C ATOM 690 O ALA A 182 7.317 2.460 4.680 1.00 10.70 O ATOM 691 CB ALA A 182 9.804 4.506 4.530 1.00 8.35 C ATOM 692 H ALA A 182 6.700 4.489 4.369 1.00 0.00 H ATOM 693 N HIS A 183 9.090 1.665 3.576 1.00 9.79 N ATOM 694 CA HIS A 183 8.991 0.302 4.139 1.00 10.82 C ATOM 695 C HIS A 183 10.305 -0.414 4.067 1.00 11.86 C ATOM 696 O HIS A 183 11.280 0.043 3.429 1.00 10.59 O ATOM 697 CB HIS A 183 7.919 -0.470 3.392 1.00 12.16 C ATOM 698 CG HIS A 183 8.098 -0.541 1.898 1.00 12.42 C ATOM 699 ND1 HIS A 183 7.020 -0.415 1.069 1.00 13.78 N ATOM 700 CD2 HIS A 183 9.164 -0.831 1.072 1.00 11.04 C ATOM 701 CE1 HIS A 183 7.414 -0.576 -0.175 1.00 10.66 C ATOM 702 NE2 HIS A 183 8.730 -0.806 -0.221 1.00 12.01 N ATOM 703 H HIS A 183 9.789 1.858 2.831 1.00 0.00 H ATOM 704 N ALA A 184 10.442 -1.573 4.691 1.00 9.95 N ATOM 705 CA ALA A 184 11.748 -2.157 4.661 1.00 10.42 C ATOM 706 C ALA A 184 11.545 -3.649 4.874 1.00 10.47 C ATOM 707 O ALA A 184 10.495 -4.034 5.458 1.00 13.83 O ATOM 708 CB ALA A 184 12.647 -1.570 5.708 1.00 10.95 C ATOM 709 H ALA A 184 9.645 -2.033 5.176 1.00 0.00 H ATOM 710 N PHE A 185 12.422 -4.389 4.325 1.00 12.94 N ATOM 711 CA PHE A 185 12.308 -5.873 4.378 1.00 13.91 C ATOM 712 C PHE A 185 13.254 -6.395 5.492 1.00 15.24 C ATOM 713 O PHE A 185 14.408 -5.976 5.687 1.00 13.63 O ATOM 714 CB PHE A 185 12.715 -6.435 3.019 1.00 16.45 C ATOM 715 CG PHE A 185 11.800 -6.027 1.928 1.00 15.99 C ATOM 716 CD1 PHE A 185 11.946 -4.787 1.308 1.00 19.20 C ATOM 717 CD2 PHE A 185 10.665 -6.799 1.636 1.00 19.07 C ATOM 718 CE1 PHE A 185 11.023 -4.375 0.361 1.00 17.27 C ATOM 719 CE2 PHE A 185 9.752 -6.403 0.662 1.00 21.90 C ATOM 720 CZ PHE A 185 9.916 -5.157 0.033 1.00 21.03 C ATOM 721 H PHE A 185 13.228 -3.953 3.833 1.00 0.00 H ATOM 722 N GLY A 186 12.797 -7.463 6.169 1.00 15.63 N ATOM 723 CA GLY A 186 13.646 -8.049 7.136 1.00 14.15 C ATOM 724 C GLY A 186 14.866 -8.727 6.537 1.00 13.81 C ATOM 725 O GLY A 186 15.001 -8.914 5.297 1.00 14.96 O ATOM 726 H GLY A 186 11.848 -7.847 5.987 1.00 0.00 H ATOM 727 N PRO A 187 15.788 -9.171 7.412 1.00 14.75 N ATOM 728 CA PRO A 187 17.070 -9.660 6.953 1.00 16.70 C ATOM 729 C PRO A 187 16.943 -10.835 6.024 1.00 17.84 C ATOM 730 O PRO A 187 16.065 -11.730 6.292 1.00 17.94 O ATOM 731 CB PRO A 187 17.778 -10.106 8.256 1.00 20.67 C ATOM 732 CG PRO A 187 17.078 -9.402 9.343 1.00 20.57 C ATOM 733 CD PRO A 187 15.695 -9.127 8.906 1.00 18.17 C ATOM 734 N GLY A 188 17.743 -10.849 4.974 1.00 15.88 N ATOM 735 CA GLY A 188 17.667 -11.859 3.949 1.00 18.84 C ATOM 736 C GLY A 188 18.505 -11.587 2.786 1.00 19.16 C ATOM 737 O GLY A 188 19.224 -10.555 2.744 1.00 17.58 O ATOM 738 H GLY A 188 18.458 -10.100 4.883 1.00 0.00 H ATOM 739 N SER A 189 18.458 -12.489 1.812 1.00 15.76 N ATOM 740 CA SER A 189 19.261 -12.300 0.612 1.00 16.88 C ATOM 741 C SER A 189 18.476 -11.340 -0.239 1.00 18.63 C ATOM 742 O SER A 189 17.295 -11.143 -0.006 1.00 16.40 O ATOM 743 CB SER A 189 19.542 -13.645 -0.131 1.00 21.62 C ATOM 744 OG SER A 189 18.367 -14.159 -0.629 1.00 30.43 O ATOM 745 HG SER A 189 18.553 -15.011 -1.098 1.00 0.00 H ATOM 746 H SER A 189 17.850 -13.327 1.906 1.00 0.00 H ATOM 747 N GLY A 190 19.158 -10.771 -1.209 1.00 19.12 N ATOM 748 CA GLY A 190 18.446 -9.945 -2.222 1.00 21.53 C ATOM 749 C GLY A 190 17.835 -8.705 -1.593 1.00 19.48 C ATOM 750 O GLY A 190 18.502 -7.949 -0.904 1.00 19.47 O ATOM 751 H GLY A 190 20.189 -10.897 -1.268 1.00 0.00 H ATOM 752 N ILE A 191 16.527 -8.530 -1.786 1.00 16.08 N ATOM 753 CA ILE A 191 15.822 -7.366 -1.287 1.00 16.29 C ATOM 754 C ILE A 191 15.723 -7.428 0.265 1.00 14.20 C ATOM 755 O ILE A 191 15.348 -6.503 0.956 1.00 14.04 O ATOM 756 CB ILE A 191 14.393 -7.337 -1.930 1.00 17.49 C ATOM 757 CG1 ILE A 191 13.920 -5.920 -2.158 1.00 20.23 C ATOM 758 CG2 ILE A 191 13.473 -8.233 -1.172 1.00 16.91 C ATOM 759 CD1 ILE A 191 12.737 -5.841 -3.084 1.00 21.40 C ATOM 760 H ILE A 191 15.995 -9.253 -2.312 1.00 0.00 H ATOM 761 N GLY A 192 16.011 -8.592 0.855 1.00 14.05 N ATOM 762 CA GLY A 192 16.096 -8.683 2.260 1.00 12.80 C ATOM 763 C GLY A 192 17.028 -7.662 2.868 1.00 12.61 C ATOM 764 O GLY A 192 18.133 -7.466 2.338 1.00 16.39 O ATOM 765 H GLY A 192 16.174 -9.438 0.273 1.00 0.00 H ATOM 766 N GLY A 193 16.536 -6.969 3.869 1.00 13.87 N ATOM 767 CA GLY A 193 17.255 -5.964 4.590 1.00 13.73 C ATOM 768 C GLY A 193 17.058 -4.551 3.950 1.00 12.80 C ATOM 769 O GLY A 193 17.331 -3.587 4.611 1.00 12.35 O ATOM 770 H GLY A 193 15.556 -7.164 4.158 1.00 0.00 H ATOM 771 N ASP A 194 16.497 -4.474 2.776 1.00 12.14 N ATOM 772 CA ASP A 194 16.535 -3.220 2.089 1.00 12.75 C ATOM 773 C ASP A 194 15.506 -2.293 2.737 1.00 13.20 C ATOM 774 O ASP A 194 14.416 -2.734 3.170 1.00 14.41 O ATOM 775 CB ASP A 194 16.317 -3.455 0.654 1.00 14.92 C ATOM 776 CG ASP A 194 17.544 -4.180 -0.036 1.00 15.16 C ATOM 777 OD1 ASP A 194 18.575 -4.495 0.732 1.00 15.15 O ATOM 778 OD2 ASP A 194 17.470 -4.385 -1.259 1.00 16.78 O ATOM 779 H ASP A 194 16.034 -5.302 2.350 1.00 0.00 H ATOM 780 N ALA A 195 15.709 -0.991 2.587 1.00 10.63 N ATOM 781 CA ALA A 195 14.880 0.034 3.157 1.00 9.51 C ATOM 782 C ALA A 195 14.567 1.028 2.068 1.00 9.07 C ATOM 783 O ALA A 195 15.490 1.626 1.411 1.00 9.60 O ATOM 784 CB ALA A 195 15.522 0.799 4.306 1.00 9.72 C ATOM 785 H ALA A 195 16.525 -0.691 2.017 1.00 0.00 H ATOM 786 N HIS A 196 13.277 1.194 1.812 1.00 10.01 N ATOM 787 CA HIS A 196 12.845 2.014 0.689 1.00 10.06 C ATOM 788 C HIS A 196 12.033 3.173 1.214 1.00 10.26 C ATOM 789 O HIS A 196 11.151 3.005 2.020 1.00 10.46 O ATOM 790 CB HIS A 196 11.895 1.180 -0.204 1.00 10.87 C ATOM 791 CG HIS A 196 12.529 0.035 -0.870 1.00 10.67 C ATOM 792 ND1 HIS A 196 11.782 -0.967 -1.448 1.00 11.28 N ATOM 793 CD2 HIS A 196 13.823 -0.321 -0.978 1.00 12.74 C ATOM 794 CE1 HIS A 196 12.638 -1.808 -2.027 1.00 11.36 C ATOM 795 NE2 HIS A 196 13.872 -1.454 -1.727 1.00 11.51 N ATOM 796 H HIS A 196 12.568 0.735 2.418 1.00 0.00 H ATOM 797 N PHE A 197 12.310 4.370 0.691 1.00 8.72 N ATOM 798 CA PHE A 197 11.719 5.633 1.122 1.00 8.66 C ATOM 799 C PHE A 197 10.948 6.219 -0.048 1.00 8.99 C ATOM 800 O PHE A 197 11.504 6.337 -1.159 1.00 9.26 O ATOM 801 CB PHE A 197 12.822 6.597 1.597 1.00 9.87 C ATOM 802 CG PHE A 197 13.557 6.067 2.764 1.00 9.28 C ATOM 803 CD1 PHE A 197 14.586 5.114 2.593 1.00 10.14 C ATOM 804 CD2 PHE A 197 13.190 6.440 4.068 1.00 10.24 C ATOM 805 CE1 PHE A 197 15.225 4.583 3.738 1.00 9.87 C ATOM 806 CE2 PHE A 197 13.844 5.918 5.148 1.00 11.20 C ATOM 807 CZ PHE A 197 14.844 4.966 5.012 1.00 10.44 C ATOM 808 H PHE A 197 13.002 4.405 -0.085 1.00 0.00 H ATOM 809 N ASP A 198 9.722 6.538 0.192 1.00 8.24 N ATOM 810 CA ASP A 198 8.824 7.080 -0.843 1.00 9.85 C ATOM 811 C ASP A 198 9.250 8.482 -1.249 1.00 9.49 C ATOM 812 O ASP A 198 9.188 9.423 -0.448 1.00 10.68 O ATOM 813 CB ASP A 198 7.406 7.089 -0.348 1.00 9.64 C ATOM 814 CG ASP A 198 6.375 7.445 -1.381 1.00 11.53 C ATOM 815 OD1 ASP A 198 6.724 7.874 -2.530 1.00 9.60 O ATOM 816 OD2 ASP A 198 5.182 7.206 -1.087 1.00 10.97 O ATOM 817 H ASP A 198 9.352 6.407 1.155 1.00 0.00 H ATOM 818 N GLU A 199 9.738 8.578 -2.467 1.00 9.56 N ATOM 819 CA GLU A 199 10.209 9.870 -2.943 1.00 11.10 C ATOM 820 C GLU A 199 9.122 10.872 -3.097 1.00 10.38 C ATOM 821 O GLU A 199 9.433 12.095 -3.154 1.00 10.83 O ATOM 822 CB GLU A 199 10.952 9.666 -4.243 1.00 11.62 C ATOM 823 CG GLU A 199 11.713 10.929 -4.704 1.00 13.35 C ATOM 824 CD GLU A 199 12.714 11.373 -3.681 1.00 13.57 C ATOM 825 OE1 GLU A 199 13.809 10.777 -3.624 1.00 12.52 O ATOM 826 OE2 GLU A 199 12.464 12.326 -2.930 1.00 14.54 O ATOM 827 H GLU A 199 9.787 7.741 -3.082 1.00 0.00 H ATOM 828 N ASP A 200 7.872 10.452 -3.115 1.00 10.59 N ATOM 829 CA ASP A 200 6.790 11.445 -3.080 1.00 11.76 C ATOM 830 C ASP A 200 6.609 12.186 -1.737 1.00 14.20 C ATOM 831 O ASP A 200 5.910 13.195 -1.652 1.00 14.57 O ATOM 832 CB ASP A 200 5.515 10.839 -3.614 1.00 12.89 C ATOM 833 CG ASP A 200 5.539 10.615 -5.100 1.00 15.77 C ATOM 834 OD1 ASP A 200 6.225 11.363 -5.850 1.00 19.34 O ATOM 835 OD2 ASP A 200 4.812 9.723 -5.588 1.00 18.34 O ATOM 836 H ASP A 200 7.656 9.435 -3.153 1.00 0.00 H ATOM 837 N GLU A 201 7.333 11.751 -0.715 1.00 11.49 N ATOM 838 CA GLU A 201 7.459 12.568 0.485 1.00 11.92 C ATOM 839 C GLU A 201 8.543 13.565 0.313 1.00 13.11 C ATOM 840 O GLU A 201 9.368 13.459 -0.541 1.00 12.11 O ATOM 841 CB GLU A 201 7.675 11.736 1.691 1.00 15.28 C ATOM 842 CG GLU A 201 6.947 10.440 1.702 1.00 16.56 C ATOM 843 CD GLU A 201 5.487 10.523 1.437 1.00 17.56 C ATOM 844 OE1 GLU A 201 4.875 11.523 1.796 1.00 17.72 O ATOM 845 OE2 GLU A 201 4.929 9.519 1.004 1.00 18.01 O ATOM 846 H GLU A 201 7.810 10.828 -0.770 1.00 0.00 H ATOM 847 N PHE A 202 8.539 14.552 1.203 1.00 13.27 N ATOM 848 CA PHE A 202 9.583 15.567 1.223 1.00 13.54 C ATOM 849 C PHE A 202 10.514 15.288 2.372 1.00 15.53 C ATOM 850 O PHE A 202 10.183 15.539 3.515 1.00 13.69 O ATOM 851 CB PHE A 202 9.044 16.983 1.250 1.00 14.43 C ATOM 852 CG PHE A 202 10.114 17.993 1.058 1.00 14.46 C ATOM 853 CD1 PHE A 202 10.754 18.171 -0.165 1.00 15.81 C ATOM 854 CD2 PHE A 202 10.508 18.778 2.139 1.00 19.71 C ATOM 855 CE1 PHE A 202 11.770 19.144 -0.310 1.00 18.50 C ATOM 856 CE2 PHE A 202 11.508 19.714 2.011 1.00 19.95 C ATOM 857 CZ PHE A 202 12.168 19.875 0.826 1.00 18.63 C ATOM 858 H PHE A 202 7.771 14.601 1.903 1.00 0.00 H ATOM 859 N TRP A 203 11.630 14.649 2.058 1.00 12.21 N ATOM 860 CA TRP A 203 12.603 14.226 3.122 1.00 11.51 C ATOM 861 C TRP A 203 13.407 15.395 3.636 1.00 10.94 C ATOM 862 O TRP A 203 13.865 16.209 2.870 1.00 11.44 O ATOM 863 CB TRP A 203 13.529 13.208 2.548 1.00 10.09 C ATOM 864 CG TRP A 203 12.655 12.021 2.154 1.00 10.80 C ATOM 865 CD1 TRP A 203 12.199 11.727 0.927 1.00 8.45 C ATOM 866 CD2 TRP A 203 12.053 11.075 3.043 1.00 9.13 C ATOM 867 NE1 TRP A 203 11.400 10.578 0.936 1.00 10.32 N ATOM 868 CE2 TRP A 203 11.233 10.210 2.232 1.00 9.21 C ATOM 869 CE3 TRP A 203 12.020 10.908 4.411 1.00 11.35 C ATOM 870 CZ2 TRP A 203 10.430 9.179 2.797 1.00 10.68 C ATOM 871 CZ3 TRP A 203 11.213 9.956 4.924 1.00 9.60 C ATOM 872 CH2 TRP A 203 10.456 9.080 4.136 1.00 9.21 C ATOM 873 HE1 TRP A 203 11.007 10.095 0.103 1.00 0.00 H ATOM 874 H TRP A 203 11.836 14.437 1.061 1.00 0.00 H ATOM 875 N THR A 204 13.567 15.456 4.944 1.00 10.89 N ATOM 876 CA THR A 204 14.257 16.589 5.574 1.00 12.23 C ATOM 877 C THR A 204 15.322 16.186 6.556 1.00 13.61 C ATOM 878 O THR A 204 15.258 15.088 7.199 1.00 13.01 O ATOM 879 CB THR A 204 13.253 17.483 6.221 1.00 14.29 C ATOM 880 OG1 THR A 204 12.500 16.740 7.194 1.00 15.46 O ATOM 881 CG2 THR A 204 12.325 18.075 5.187 1.00 14.88 C ATOM 882 HG1 THR A 204 13.115 16.383 7.883 1.00 0.00 H ATOM 883 H THR A 204 13.198 14.688 5.540 1.00 0.00 H ATOM 884 N THR A 205 16.282 17.093 6.767 1.00 13.53 N ATOM 885 CA THR A 205 17.335 16.876 7.800 1.00 12.32 C ATOM 886 C THR A 205 16.712 17.082 9.193 1.00 14.17 C ATOM 887 O THR A 205 17.147 16.435 10.166 1.00 15.68 O ATOM 888 CB THR A 205 18.469 17.877 7.674 1.00 14.20 C ATOM 889 OG1 THR A 205 17.953 19.240 7.870 1.00 14.74 O ATOM 890 CG2 THR A 205 19.126 17.807 6.307 1.00 14.59 C ATOM 891 HG1 THR A 205 17.550 19.313 8.771 1.00 0.00 H ATOM 892 H THR A 205 16.294 17.965 6.200 1.00 0.00 H ATOM 893 N HIS A 206 15.737 18.017 9.267 1.00 15.20 N ATOM 894 CA HIS A 206 15.064 18.345 10.508 1.00 15.41 C ATOM 895 C HIS A 206 13.563 18.228 10.235 1.00 16.32 C ATOM 896 O HIS A 206 13.117 17.172 9.795 1.00 16.38 O ATOM 897 CB HIS A 206 15.524 19.707 11.030 1.00 15.67 C ATOM 898 CG HIS A 206 16.952 19.732 11.417 1.00 16.94 C ATOM 899 ND1 HIS A 206 17.970 19.830 10.505 1.00 19.23 N ATOM 900 CD2 HIS A 206 17.531 19.556 12.620 1.00 24.81 C ATOM 901 CE1 HIS A 206 19.123 19.792 11.145 1.00 25.43 C ATOM 902 NE2 HIS A 206 18.892 19.616 12.433 1.00 26.83 N ATOM 903 H HIS A 206 15.460 18.520 8.400 1.00 0.00 H ATOM 904 N SER A 207 12.780 19.280 10.484 1.00 16.34 N ATOM 905 CA SER A 207 11.330 19.246 10.303 1.00 16.14 C ATOM 906 C SER A 207 11.002 19.941 8.973 1.00 15.83 C ATOM 907 O SER A 207 11.892 20.114 8.143 1.00 16.95 O ATOM 908 CB SER A 207 10.633 19.865 11.532 1.00 16.05 C ATOM 909 OG SER A 207 10.858 21.261 11.639 1.00 15.86 O ATOM 910 HG SER A 207 10.509 21.713 10.830 1.00 0.00 H ATOM 911 H SER A 207 13.220 20.160 10.821 1.00 0.00 H ATOM 912 N GLY A 208 9.750 20.322 8.759 1.00 16.12 N ATOM 913 CA GLY A 208 9.347 20.943 7.484 1.00 14.62 C ATOM 914 C GLY A 208 9.052 19.929 6.380 1.00 16.82 C ATOM 915 O GLY A 208 9.007 20.252 5.248 1.00 19.99 O ATOM 916 H GLY A 208 9.039 20.180 9.505 1.00 0.00 H ATOM 917 N GLY A 209 8.911 18.686 6.768 1.00 16.87 N ATOM 918 CA GLY A 209 8.736 17.563 5.818 1.00 16.79 C ATOM 919 C GLY A 209 8.765 16.337 6.697 1.00 18.38 C ATOM 920 O GLY A 209 8.397 16.375 7.863 1.00 18.22 O ATOM 921 H GLY A 209 8.922 18.479 7.787 1.00 0.00 H ATOM 922 N THR A 210 9.196 15.211 6.127 1.00 12.59 N ATOM 923 CA THR A 210 9.298 13.986 6.873 1.00 13.09 C ATOM 924 C THR A 210 10.808 13.790 7.140 1.00 12.01 C ATOM 925 O THR A 210 11.598 13.658 6.263 1.00 13.19 O ATOM 926 CB THR A 210 8.801 12.860 5.980 1.00 12.32 C ATOM 927 OG1 THR A 210 7.469 13.125 5.518 1.00 14.82 O ATOM 928 CG2 THR A 210 8.785 11.601 6.713 1.00 14.09 C ATOM 929 HG1 THR A 210 7.462 13.969 5.001 1.00 0.00 H ATOM 930 H THR A 210 9.464 15.219 5.122 1.00 0.00 H ATOM 931 N ASN A 211 11.150 13.745 8.441 1.00 10.16 N ATOM 932 CA ASN A 211 12.508 13.674 8.862 1.00 10.85 C ATOM 933 C ASN A 211 13.131 12.305 8.425 1.00 11.23 C ATOM 934 O ASN A 211 12.595 11.268 8.756 1.00 11.02 O ATOM 935 CB ASN A 211 12.610 13.833 10.382 1.00 11.71 C ATOM 936 CG ASN A 211 14.048 13.872 10.829 1.00 13.33 C ATOM 937 OD1 ASN A 211 14.635 12.860 11.233 1.00 13.64 O ATOM 938 ND2 ASN A 211 14.707 15.047 10.652 1.00 14.56 N ATOM 939 HD22 ASN A 211 14.194 15.885 10.312 1.00 0.00 H ATOM 940 HD21 ASN A 211 15.725 15.108 10.857 1.00 0.00 H ATOM 941 H ASN A 211 10.399 13.763 9.161 1.00 0.00 H ATOM 942 N LEU A 212 14.222 12.368 7.675 1.00 11.12 N ATOM 943 CA LEU A 212 14.782 11.160 7.129 1.00 10.15 C ATOM 944 C LEU A 212 15.425 10.352 8.245 1.00 10.14 C ATOM 945 O LEU A 212 15.274 9.117 8.247 1.00 10.44 O ATOM 946 CB LEU A 212 15.874 11.474 6.097 1.00 10.35 C ATOM 947 CG LEU A 212 16.554 10.308 5.453 1.00 10.75 C ATOM 948 CD1 LEU A 212 15.575 9.260 5.007 1.00 12.05 C ATOM 949 CD2 LEU A 212 17.517 10.744 4.409 1.00 10.58 C ATOM 950 H LEU A 212 14.671 13.286 7.482 1.00 0.00 H ATOM 951 N PHE A 213 16.208 10.998 9.113 1.00 11.21 N ATOM 952 CA PHE A 213 16.844 10.276 10.224 1.00 11.70 C ATOM 953 C PHE A 213 15.846 9.390 11.028 1.00 10.33 C ATOM 954 O PHE A 213 16.071 8.198 11.213 1.00 9.75 O ATOM 955 CB PHE A 213 17.628 11.263 11.125 1.00 12.43 C ATOM 956 CG PHE A 213 17.973 10.701 12.465 1.00 11.52 C ATOM 957 CD1 PHE A 213 18.959 9.779 12.604 1.00 11.84 C ATOM 958 CD2 PHE A 213 17.228 11.077 13.582 1.00 12.13 C ATOM 959 CE1 PHE A 213 19.306 9.316 13.913 1.00 10.31 C ATOM 960 CE2 PHE A 213 17.541 10.541 14.833 1.00 12.13 C ATOM 961 CZ PHE A 213 18.533 9.692 14.966 1.00 11.49 C ATOM 962 H PHE A 213 16.369 12.019 9.002 1.00 0.00 H ATOM 963 N LEU A 214 14.799 9.984 11.537 1.00 11.92 N ATOM 964 CA LEU A 214 13.816 9.292 12.351 1.00 10.85 C ATOM 965 C LEU A 214 13.181 8.167 11.563 1.00 11.01 C ATOM 966 O LEU A 214 13.062 7.022 12.025 1.00 10.15 O ATOM 967 CB LEU A 214 12.796 10.244 12.874 1.00 11.85 C ATOM 968 CG LEU A 214 13.238 11.357 13.817 1.00 13.45 C ATOM 969 CD1 LEU A 214 12.088 12.222 14.138 1.00 15.17 C ATOM 970 CD2 LEU A 214 13.752 10.722 15.089 1.00 15.00 C ATOM 971 H LEU A 214 14.664 10.998 11.351 1.00 0.00 H ATOM 972 N THR A 215 12.749 8.476 10.347 1.00 11.76 N ATOM 973 CA THR A 215 12.207 7.452 9.505 1.00 10.00 C ATOM 974 C THR A 215 13.135 6.321 9.235 1.00 9.09 C ATOM 975 O THR A 215 12.759 5.117 9.271 1.00 10.25 O ATOM 976 CB THR A 215 11.610 8.066 8.241 1.00 9.44 C ATOM 977 OG1 THR A 215 10.722 9.154 8.609 1.00 9.81 O ATOM 978 CG2 THR A 215 10.885 7.014 7.455 1.00 10.47 C ATOM 979 HG1 THR A 215 11.233 9.843 9.103 1.00 0.00 H ATOM 980 H THR A 215 12.804 9.457 10.007 1.00 0.00 H ATOM 981 N ALA A 216 14.398 6.630 9.018 1.00 9.04 N ATOM 982 CA ALA A 216 15.419 5.630 8.800 1.00 9.31 C ATOM 983 C ALA A 216 15.645 4.805 10.052 1.00 9.34 C ATOM 984 O ALA A 216 15.885 3.606 9.914 1.00 9.72 O ATOM 985 CB ALA A 216 16.715 6.273 8.345 1.00 9.95 C ATOM 986 H ALA A 216 14.671 7.633 9.003 1.00 0.00 H ATOM 987 N VAL A 217 15.566 5.419 11.195 1.00 10.23 N ATOM 988 CA VAL A 217 15.676 4.583 12.463 1.00 10.49 C ATOM 989 C VAL A 217 14.575 3.512 12.479 1.00 10.73 C ATOM 990 O VAL A 217 14.858 2.325 12.680 1.00 11.26 O ATOM 991 CB VAL A 217 15.704 5.441 13.734 1.00 10.26 C ATOM 992 CG1 VAL A 217 15.708 4.522 14.956 1.00 9.85 C ATOM 993 CG2 VAL A 217 16.968 6.266 13.689 1.00 10.97 C ATOM 994 H VAL A 217 15.432 6.449 11.242 1.00 0.00 H ATOM 995 N HIS A 218 13.349 3.928 12.155 1.00 10.41 N ATOM 996 CA HIS A 218 12.241 2.990 12.091 1.00 10.33 C ATOM 997 C HIS A 218 12.438 1.925 11.053 1.00 12.00 C ATOM 998 O HIS A 218 12.252 0.724 11.299 1.00 10.87 O ATOM 999 CB HIS A 218 10.988 3.818 11.847 1.00 11.24 C ATOM 1000 CG HIS A 218 9.708 3.030 11.730 1.00 9.61 C ATOM 1001 ND1 HIS A 218 8.897 2.833 12.818 1.00 10.49 N ATOM 1002 CD2 HIS A 218 9.194 2.308 10.714 1.00 10.78 C ATOM 1003 CE1 HIS A 218 7.862 2.085 12.427 1.00 10.88 C ATOM 1004 NE2 HIS A 218 8.032 1.718 11.163 1.00 9.94 N ATOM 1005 H HIS A 218 13.185 4.934 11.946 1.00 0.00 H ATOM 1006 N GLU A 219 12.779 2.343 9.802 1.00 10.60 N ATOM 1007 CA GLU A 219 13.003 1.369 8.777 1.00 10.75 C ATOM 1008 C GLU A 219 14.145 0.436 9.013 1.00 11.47 C ATOM 1009 O GLU A 219 14.040 -0.764 8.710 1.00 11.51 O ATOM 1010 CB GLU A 219 13.163 2.098 7.446 1.00 11.67 C ATOM 1011 CG GLU A 219 11.942 2.932 7.009 1.00 11.12 C ATOM 1012 CD GLU A 219 10.628 2.131 7.041 1.00 15.75 C ATOM 1013 OE1 GLU A 219 10.690 0.974 6.652 1.00 14.93 O ATOM 1014 OE2 GLU A 219 9.615 2.672 7.548 1.00 15.24 O ATOM 1015 H GLU A 219 12.875 3.357 9.594 1.00 0.00 H ATOM 1016 N ILE A 220 15.230 0.948 9.570 1.00 10.70 N ATOM 1017 CA ILE A 220 16.354 0.058 9.854 1.00 11.33 C ATOM 1018 C ILE A 220 15.957 -0.964 10.910 1.00 11.78 C ATOM 1019 O ILE A 220 16.373 -2.093 10.839 1.00 10.91 O ATOM 1020 CB ILE A 220 17.595 0.877 10.262 1.00 12.91 C ATOM 1021 CG1 ILE A 220 18.113 1.636 9.053 1.00 14.16 C ATOM 1022 CG2 ILE A 220 18.728 -0.034 10.674 1.00 13.89 C ATOM 1023 CD1 ILE A 220 19.116 2.713 9.353 1.00 15.02 C ATOM 1024 H ILE A 220 15.282 1.961 9.801 1.00 0.00 H ATOM 1025 N GLY A 221 15.114 -0.550 11.832 1.00 11.10 N ATOM 1026 CA GLY A 221 14.525 -1.532 12.711 1.00 12.87 C ATOM 1027 C GLY A 221 13.948 -2.679 11.997 1.00 13.56 C ATOM 1028 O GLY A 221 14.282 -3.875 12.242 1.00 11.04 O ATOM 1029 H GLY A 221 14.878 0.459 11.925 1.00 0.00 H ATOM 1030 N HIS A 222 13.085 -2.422 11.012 1.00 12.20 N ATOM 1031 CA HIS A 222 12.566 -3.523 10.178 1.00 13.69 C ATOM 1032 C HIS A 222 13.622 -4.281 9.422 1.00 12.69 C ATOM 1033 O HIS A 222 13.592 -5.505 9.373 1.00 11.49 O ATOM 1034 CB HIS A 222 11.567 -2.973 9.170 1.00 13.15 C ATOM 1035 CG HIS A 222 10.269 -2.424 9.739 1.00 14.08 C ATOM 1036 ND1 HIS A 222 9.486 -3.150 10.616 1.00 12.89 N ATOM 1037 CD2 HIS A 222 9.614 -1.248 9.544 1.00 13.86 C ATOM 1038 CE1 HIS A 222 8.370 -2.463 10.871 1.00 14.23 C ATOM 1039 NE2 HIS A 222 8.399 -1.294 10.227 1.00 13.54 N ATOM 1040 H HIS A 222 12.778 -1.445 10.832 1.00 0.00 H ATOM 1041 N SER A 223 14.626 -3.554 8.850 1.00 9.91 N ATOM 1042 CA SER A 223 15.746 -4.187 8.148 1.00 10.78 C ATOM 1043 C SER A 223 16.431 -5.228 9.015 1.00 9.86 C ATOM 1044 O SER A 223 16.919 -6.213 8.490 1.00 12.30 O ATOM 1045 CB SER A 223 16.771 -3.188 7.688 1.00 13.04 C ATOM 1046 OG SER A 223 16.192 -2.299 6.705 1.00 12.06 O ATOM 1047 HG SER A 223 15.880 -2.827 5.928 1.00 0.00 H ATOM 1048 H SER A 223 14.595 -2.516 8.915 1.00 0.00 H ATOM 1049 N LEU A 224 16.472 -4.966 10.347 1.00 11.03 N ATOM 1050 CA LEU A 224 17.180 -5.853 11.221 1.00 11.58 C ATOM 1051 C LEU A 224 16.299 -6.931 11.785 1.00 13.90 C ATOM 1052 O LEU A 224 16.795 -7.825 12.476 1.00 15.99 O ATOM 1053 CB LEU A 224 17.771 -5.028 12.361 1.00 12.47 C ATOM 1054 CG LEU A 224 18.868 -4.075 11.955 1.00 13.49 C ATOM 1055 CD1 LEU A 224 19.204 -3.126 13.126 1.00 14.12 C ATOM 1056 CD2 LEU A 224 20.084 -4.809 11.395 1.00 14.32 C ATOM 1057 H LEU A 224 15.992 -4.127 10.730 1.00 0.00 H ATOM 1058 N GLY A 225 15.011 -6.871 11.516 1.00 11.28 N ATOM 1059 CA GLY A 225 14.094 -7.937 11.806 1.00 12.13 C ATOM 1060 C GLY A 225 13.014 -7.548 12.770 1.00 11.87 C ATOM 1061 O GLY A 225 12.208 -8.414 13.186 1.00 14.68 O ATOM 1062 H GLY A 225 14.639 -6.008 11.071 1.00 0.00 H ATOM 1063 N LEU A 226 12.832 -6.286 13.118 1.00 13.02 N ATOM 1064 CA LEU A 226 11.863 -5.871 14.113 1.00 12.83 C ATOM 1065 C LEU A 226 10.519 -5.654 13.404 1.00 15.13 C ATOM 1066 O LEU A 226 10.475 -5.219 12.241 1.00 13.95 O ATOM 1067 CB LEU A 226 12.267 -4.592 14.853 1.00 14.23 C ATOM 1068 CG LEU A 226 13.497 -4.533 15.767 1.00 13.79 C ATOM 1069 CD1 LEU A 226 13.657 -3.175 16.324 1.00 16.15 C ATOM 1070 CD2 LEU A 226 13.225 -5.495 16.913 1.00 16.57 C ATOM 1071 H LEU A 226 13.411 -5.556 12.656 1.00 0.00 H ATOM 1072 N GLY A 227 9.455 -5.991 14.077 1.00 14.26 N ATOM 1073 CA GLY A 227 8.152 -5.476 13.779 1.00 15.02 C ATOM 1074 C GLY A 227 7.708 -4.244 14.469 1.00 16.63 C ATOM 1075 O GLY A 227 8.511 -3.564 15.137 1.00 15.71 O ATOM 1076 H GLY A 227 9.556 -6.663 14.864 1.00 0.00 H ATOM 1077 N HIS A 228 6.386 -3.960 14.416 1.00 14.30 N ATOM 1078 CA HIS A 228 5.930 -2.789 15.038 1.00 13.44 C ATOM 1079 C HIS A 228 5.713 -2.995 16.531 1.00 15.60 C ATOM 1080 O HIS A 228 5.522 -4.148 16.946 1.00 17.96 O ATOM 1081 CB HIS A 228 4.675 -2.282 14.367 1.00 14.23 C ATOM 1082 CG HIS A 228 4.941 -1.672 13.031 1.00 13.82 C ATOM 1083 ND1 HIS A 228 4.005 -1.681 12.022 1.00 15.28 N ATOM 1084 CD2 HIS A 228 5.991 -0.929 12.569 1.00 11.86 C ATOM 1085 CE1 HIS A 228 4.505 -1.059 10.958 1.00 15.75 C ATOM 1086 NE2 HIS A 228 5.722 -0.628 11.251 1.00 10.46 N ATOM 1087 H HIS A 228 5.724 -4.595 13.926 1.00 0.00 H ATOM 1088 N SER A 229 5.960 -1.943 17.272 1.00 16.72 N ATOM 1089 CA SER A 229 5.659 -1.847 18.713 1.00 18.98 C ATOM 1090 C SER A 229 4.266 -1.315 18.960 1.00 19.11 C ATOM 1091 O SER A 229 3.757 -0.500 18.222 1.00 17.67 O ATOM 1092 CB SER A 229 6.659 -0.933 19.365 1.00 17.87 C ATOM 1093 OG SER A 229 6.464 -0.849 20.790 1.00 22.59 O ATOM 1094 HG SER A 229 6.561 -1.750 21.189 1.00 0.00 H ATOM 1095 H SER A 229 6.398 -1.119 16.813 1.00 0.00 H ATOM 1096 N SER A 230 3.695 -1.745 20.070 1.00 19.62 N ATOM 1097 CA SER A 230 2.481 -1.158 20.603 1.00 18.81 C ATOM 1098 C SER A 230 2.787 -0.110 21.659 1.00 19.26 C ATOM 1099 O SER A 230 1.892 0.419 22.264 1.00 18.85 O ATOM 1100 CB SER A 230 1.600 -2.286 21.147 1.00 19.00 C ATOM 1101 OG SER A 230 2.310 -2.941 22.208 1.00 16.60 O ATOM 1102 HG SER A 230 3.158 -3.312 21.856 1.00 0.00 H ATOM 1103 H SER A 230 4.134 -2.536 20.583 1.00 0.00 H ATOM 1104 N ASP A 231 4.060 0.223 21.876 1.00 17.33 N ATOM 1105 CA ASP A 231 4.450 1.269 22.768 1.00 18.42 C ATOM 1106 C ASP A 231 4.599 2.576 21.996 1.00 19.25 C ATOM 1107 O ASP A 231 5.525 2.667 21.252 1.00 15.56 O ATOM 1108 CB ASP A 231 5.770 0.896 23.507 1.00 20.37 C ATOM 1109 CG ASP A 231 6.342 2.040 24.326 1.00 24.18 C ATOM 1110 OD1 ASP A 231 5.721 3.102 24.522 1.00 23.39 O ATOM 1111 OD2 ASP A 231 7.575 1.956 24.662 1.00 32.86 O ATOM 1112 H ASP A 231 4.803 -0.303 21.373 1.00 0.00 H ATOM 1113 N PRO A 232 3.778 3.571 22.236 1.00 19.89 N ATOM 1114 CA PRO A 232 3.898 4.819 21.475 1.00 20.38 C ATOM 1115 C PRO A 232 5.159 5.607 21.684 1.00 19.80 C ATOM 1116 O PRO A 232 5.435 6.499 20.917 1.00 19.45 O ATOM 1117 CB PRO A 232 2.692 5.634 21.902 1.00 22.73 C ATOM 1118 CG PRO A 232 2.219 5.083 23.141 1.00 21.94 C ATOM 1119 CD PRO A 232 2.643 3.630 23.187 1.00 20.51 C ATOM 1120 N LYS A 233 5.948 5.279 22.714 1.00 18.73 N ATOM 1121 CA LYS A 233 7.234 5.896 22.870 1.00 21.52 C ATOM 1122 C LYS A 233 8.326 5.200 22.043 1.00 18.11 C ATOM 1123 O LYS A 233 9.447 5.739 21.951 1.00 18.79 O ATOM 1124 CB LYS A 233 7.643 5.851 24.369 1.00 26.52 C ATOM 1125 CG LYS A 233 6.749 6.750 25.269 1.00 33.39 C ATOM 1126 CD LYS A 233 7.432 6.999 26.620 1.00 45.26 C ATOM 1127 CE LYS A 233 7.225 5.859 27.627 1.00 58.89 C ATOM 1128 NZ LYS A 233 5.802 5.762 28.078 1.00 67.22 N ATOM 1129 HZ1 LYS A 233 5.523 6.654 28.534 1.00 0.00 H ATOM 1130 HZ2 LYS A 233 5.190 5.585 27.256 1.00 0.00 H ATOM 1131 HZ3 LYS A 233 5.707 4.980 28.757 1.00 0.00 H ATOM 1132 H LYS A 233 5.627 4.572 23.406 1.00 0.00 H ATOM 1133 N ALA A 234 8.049 4.026 21.512 1.00 15.20 N ATOM 1134 CA ALA A 234 9.012 3.291 20.711 1.00 15.72 C ATOM 1135 C ALA A 234 9.119 3.870 19.270 1.00 15.10 C ATOM 1136 O ALA A 234 8.102 4.212 18.642 1.00 14.82 O ATOM 1137 CB ALA A 234 8.645 1.838 20.614 1.00 14.36 C ATOM 1138 H ALA A 234 7.109 3.612 21.672 1.00 0.00 H ATOM 1139 N VAL A 235 10.346 3.863 18.740 1.00 14.89 N ATOM 1140 CA VAL A 235 10.512 4.283 17.321 1.00 14.30 C ATOM 1141 C VAL A 235 9.811 3.313 16.378 1.00 12.65 C ATOM 1142 O VAL A 235 9.414 3.677 15.290 1.00 14.34 O ATOM 1143 CB VAL A 235 12.005 4.454 16.961 1.00 14.22 C ATOM 1144 CG1 VAL A 235 12.662 3.129 16.804 1.00 14.93 C ATOM 1145 CG2 VAL A 235 12.161 5.339 15.685 1.00 13.36 C ATOM 1146 H VAL A 235 11.167 3.570 19.307 1.00 0.00 H ATOM 1147 N MET A 236 9.662 2.065 16.813 1.00 12.29 N ATOM 1148 CA MET A 236 8.944 1.096 16.086 1.00 11.73 C ATOM 1149 C MET A 236 7.408 1.185 16.213 1.00 11.26 C ATOM 1150 O MET A 236 6.756 0.494 15.466 1.00 11.77 O ATOM 1151 CB MET A 236 9.414 -0.314 16.423 1.00 13.13 C ATOM 1152 CG MET A 236 10.838 -0.643 16.132 1.00 12.04 C ATOM 1153 SD MET A 236 11.435 0.008 14.520 1.00 12.15 S ATOM 1154 CE MET A 236 10.319 -0.903 13.430 1.00 15.32 C ATOM 1155 H MET A 236 10.091 1.795 17.721 1.00 0.00 H ATOM 1156 N PHE A 237 6.893 2.178 16.915 1.00 12.44 N ATOM 1157 CA PHE A 237 5.456 2.444 16.847 1.00 13.39 C ATOM 1158 C PHE A 237 5.239 3.175 15.531 1.00 12.27 C ATOM 1159 O PHE A 237 5.853 4.241 15.293 1.00 15.02 O ATOM 1160 CB PHE A 237 5.024 3.270 17.993 1.00 14.95 C ATOM 1161 CG PHE A 237 3.537 3.421 18.133 1.00 15.57 C ATOM 1162 CD1 PHE A 237 2.822 2.508 18.883 1.00 17.95 C ATOM 1163 CD2 PHE A 237 2.889 4.516 17.600 1.00 15.32 C ATOM 1164 CE1 PHE A 237 1.469 2.672 19.076 1.00 19.51 C ATOM 1165 CE2 PHE A 237 1.537 4.666 17.817 1.00 21.33 C ATOM 1166 CZ PHE A 237 0.839 3.722 18.500 1.00 18.30 C ATOM 1167 H PHE A 237 7.506 2.768 17.513 1.00 0.00 H ATOM 1168 N PRO A 238 4.257 2.728 14.705 1.00 16.60 N ATOM 1169 CA PRO A 238 4.176 3.214 13.336 1.00 17.23 C ATOM 1170 C PRO A 238 3.345 4.559 13.219 1.00 17.97 C ATOM 1171 O PRO A 238 2.483 4.674 12.338 1.00 15.72 O ATOM 1172 CB PRO A 238 3.485 2.061 12.604 1.00 18.18 C ATOM 1173 CG PRO A 238 2.543 1.523 13.622 1.00 19.48 C ATOM 1174 CD PRO A 238 3.336 1.599 14.918 1.00 19.14 C ATOM 1175 N THR A 239 3.688 5.559 13.988 1.00 14.40 N ATOM 1176 CA THR A 239 3.146 6.944 13.842 1.00 16.24 C ATOM 1177 C THR A 239 4.352 7.883 13.796 1.00 15.86 C ATOM 1178 O THR A 239 5.163 7.938 14.724 1.00 15.78 O ATOM 1179 CB THR A 239 2.230 7.301 15.060 1.00 19.33 C ATOM 1180 OG1 THR A 239 1.017 6.555 14.924 1.00 20.84 O ATOM 1181 CG2 THR A 239 1.911 8.793 15.115 1.00 21.42 C ATOM 1182 HG1 THR A 239 0.573 6.801 14.074 1.00 0.00 H ATOM 1183 H THR A 239 4.378 5.380 14.745 1.00 0.00 H ATOM 1184 N TYR A 240 4.491 8.585 12.696 1.00 15.54 N ATOM 1185 CA TYR A 240 5.573 9.550 12.575 1.00 16.27 C ATOM 1186 C TYR A 240 5.226 10.721 13.444 1.00 20.31 C ATOM 1187 O TYR A 240 4.105 11.228 13.386 1.00 24.04 O ATOM 1188 CB TYR A 240 5.767 9.965 11.117 1.00 17.06 C ATOM 1189 CG TYR A 240 6.728 11.070 10.988 1.00 17.21 C ATOM 1190 CD1 TYR A 240 6.294 12.416 11.038 1.00 18.68 C ATOM 1191 CD2 TYR A 240 8.075 10.832 10.804 1.00 17.24 C ATOM 1192 CE1 TYR A 240 7.219 13.461 10.902 1.00 16.67 C ATOM 1193 CE2 TYR A 240 8.998 11.867 10.748 1.00 15.97 C ATOM 1194 CZ TYR A 240 8.557 13.182 10.731 1.00 14.97 C ATOM 1195 OH TYR A 240 9.449 14.200 10.713 1.00 15.17 O ATOM 1196 HH TYR A 240 8.963 15.063 10.703 1.00 0.00 H ATOM 1197 H TYR A 240 3.825 8.451 11.908 1.00 0.00 H ATOM 1198 N LYS A 241 6.216 11.166 14.174 1.00 21.68 N ATOM 1199 CA LYS A 241 6.102 12.357 14.959 1.00 26.06 C ATOM 1200 C LYS A 241 7.490 12.919 15.034 1.00 22.68 C ATOM 1201 O LYS A 241 8.439 12.195 15.366 1.00 25.26 O ATOM 1202 CB LYS A 241 5.693 11.993 16.403 1.00 31.42 C ATOM 1203 CG LYS A 241 5.393 13.245 17.219 1.00 37.90 C ATOM 1204 CD LYS A 241 4.217 14.077 16.659 1.00 45.27 C ATOM 1205 CE LYS A 241 2.976 13.288 16.150 1.00 48.98 C ATOM 1206 NZ LYS A 241 2.188 12.532 17.169 1.00 52.79 N ATOM 1207 HZ1 LYS A 241 2.801 11.826 17.626 1.00 0.00 H ATOM 1208 HZ2 LYS A 241 1.825 13.193 17.885 1.00 0.00 H ATOM 1209 HZ3 LYS A 241 1.392 12.052 16.703 1.00 0.00 H ATOM 1210 H LYS A 241 7.112 10.639 14.184 1.00 0.00 H ATOM 1211 N TYR A 242 7.619 14.206 14.714 1.00 18.50 N ATOM 1212 CA TYR A 242 8.939 14.794 14.756 1.00 18.80 C ATOM 1213 C TYR A 242 9.326 15.012 16.231 1.00 21.42 C ATOM 1214 O TYR A 242 8.487 15.476 17.043 1.00 23.13 O ATOM 1215 CB TYR A 242 8.999 16.166 14.036 1.00 17.59 C ATOM 1216 CG TYR A 242 10.370 16.722 14.019 1.00 19.33 C ATOM 1217 CD1 TYR A 242 11.373 16.160 13.249 1.00 16.45 C ATOM 1218 CD2 TYR A 242 10.741 17.809 14.818 1.00 20.28 C ATOM 1219 CE1 TYR A 242 12.653 16.653 13.234 1.00 18.40 C ATOM 1220 CE2 TYR A 242 12.030 18.306 14.775 1.00 19.76 C ATOM 1221 CZ TYR A 242 12.981 17.731 13.984 1.00 21.15 C ATOM 1222 OH TYR A 242 14.311 18.198 13.953 1.00 26.29 O ATOM 1223 HH TYR A 242 14.705 18.129 14.859 1.00 0.00 H ATOM 1224 H TYR A 242 6.791 14.773 14.441 1.00 0.00 H ATOM 1225 N VAL A 243 10.589 14.758 16.499 1.00 22.42 N ATOM 1226 CA VAL A 243 11.181 15.130 17.762 1.00 26.39 C ATOM 1227 C VAL A 243 12.509 15.623 17.409 1.00 26.66 C ATOM 1228 O VAL A 243 13.135 15.099 16.520 1.00 23.69 O ATOM 1229 CB VAL A 243 11.275 13.949 18.740 1.00 29.70 C ATOM 1230 CG1 VAL A 243 9.900 13.528 19.185 1.00 36.56 C ATOM 1231 CG2 VAL A 243 11.957 12.762 18.114 1.00 25.98 C ATOM 1232 H VAL A 243 11.174 14.279 15.785 1.00 0.00 H ATOM 1233 N ASP A 244 12.978 16.618 18.148 1.00 33.97 N ATOM 1234 CA ASP A 244 14.341 17.091 18.008 1.00 37.17 C ATOM 1235 C ASP A 244 15.295 15.926 17.949 1.00 32.94 C ATOM 1236 O ASP A 244 15.427 15.119 18.903 1.00 28.56 O ATOM 1237 CB ASP A 244 14.771 18.004 19.204 1.00 45.98 C ATOM 1238 CG ASP A 244 13.817 19.165 19.441 1.00 57.12 C ATOM 1239 OD1 ASP A 244 12.890 19.354 18.612 1.00 69.11 O ATOM 1240 OD2 ASP A 244 13.989 19.888 20.461 1.00 66.14 O ATOM 1241 H ASP A 244 12.353 17.070 18.845 1.00 0.00 H ATOM 1242 N ILE A 245 16.055 15.904 16.880 1.00 29.83 N ATOM 1243 CA ILE A 245 16.954 14.818 16.582 1.00 36.27 C ATOM 1244 C ILE A 245 17.958 14.606 17.674 1.00 37.34 C ATOM 1245 O ILE A 245 18.431 13.498 17.855 1.00 34.81 O ATOM 1246 CB ILE A 245 17.723 15.083 15.267 1.00 41.87 C ATOM 1247 CG1 ILE A 245 16.761 15.262 14.085 1.00 41.63 C ATOM 1248 CG2 ILE A 245 18.793 14.008 14.967 1.00 49.70 C ATOM 1249 CD1 ILE A 245 15.522 14.373 14.066 1.00 30.38 C ATOM 1250 H ILE A 245 16.007 16.705 16.219 1.00 0.00 H ATOM 1251 N ASN A 246 18.294 15.647 18.417 1.00 42.50 N ATOM 1252 CA ASN A 246 19.313 15.533 19.474 1.00 46.57 C ATOM 1253 C ASN A 246 18.785 15.001 20.756 1.00 44.07 C ATOM 1254 O ASN A 246 19.548 14.531 21.560 1.00 53.56 O ATOM 1255 CB ASN A 246 19.939 16.889 19.742 1.00 56.17 C ATOM 1256 CG ASN A 246 20.357 17.552 18.458 1.00 55.60 C ATOM 1257 OD1 ASN A 246 21.390 17.220 17.885 1.00 65.35 O ATOM 1258 ND2 ASN A 246 19.503 18.425 17.948 1.00 59.81 N ATOM 1259 HD22 ASN A 246 18.640 18.675 18.472 1.00 0.00 H ATOM 1260 HD21 ASN A 246 19.695 18.861 17.024 1.00 0.00 H ATOM 1261 H ASN A 246 17.830 16.563 18.252 1.00 0.00 H ATOM 1262 N THR A 247 17.486 15.107 20.966 1.00 36.98 N ATOM 1263 CA THR A 247 16.875 14.551 22.137 1.00 35.34 C ATOM 1264 C THR A 247 16.214 13.170 21.845 1.00 28.43 C ATOM 1265 O THR A 247 15.696 12.530 22.767 1.00 27.92 O ATOM 1266 CB THR A 247 15.810 15.491 22.707 1.00 40.74 C ATOM 1267 OG1 THR A 247 14.608 15.413 21.927 1.00 47.49 O ATOM 1268 CG2 THR A 247 16.314 16.954 22.764 1.00 46.45 C ATOM 1269 HG1 THR A 247 14.805 15.675 20.993 1.00 0.00 H ATOM 1270 H THR A 247 16.895 15.603 20.269 1.00 0.00 H ATOM 1271 N PHE A 248 16.211 12.729 20.576 1.00 25.00 N ATOM 1272 CA PHE A 248 15.618 11.430 20.234 1.00 21.14 C ATOM 1273 C PHE A 248 16.319 10.310 21.014 1.00 22.72 C ATOM 1274 O PHE A 248 17.560 10.279 21.104 1.00 23.30 O ATOM 1275 CB PHE A 248 15.744 11.151 18.731 1.00 22.23 C ATOM 1276 CG PHE A 248 15.422 9.749 18.362 1.00 20.44 C ATOM 1277 CD1 PHE A 248 14.104 9.305 18.330 1.00 19.46 C ATOM 1278 CD2 PHE A 248 16.414 8.866 18.202 1.00 20.16 C ATOM 1279 CE1 PHE A 248 13.809 7.955 18.088 1.00 21.19 C ATOM 1280 CE2 PHE A 248 16.160 7.511 17.961 1.00 20.99 C ATOM 1281 CZ PHE A 248 14.856 7.066 17.884 1.00 21.81 C ATOM 1282 H PHE A 248 16.633 13.314 19.827 1.00 0.00 H ATOM 1283 N ARG A 249 15.527 9.385 21.563 1.00 19.37 N ATOM 1284 CA ARG A 249 16.091 8.184 22.188 1.00 19.60 C ATOM 1285 C ARG A 249 15.179 6.989 21.914 1.00 16.69 C ATOM 1286 O ARG A 249 13.957 7.138 21.893 1.00 17.63 O ATOM 1287 CB ARG A 249 16.247 8.358 23.697 1.00 23.80 C ATOM 1288 CG ARG A 249 17.383 9.265 24.133 1.00 28.28 C ATOM 1289 CD ARG A 249 17.422 9.383 25.648 1.00 34.63 C ATOM 1290 NE ARG A 249 18.737 9.736 26.197 1.00 35.08 N ATOM 1291 CZ ARG A 249 19.799 8.926 26.240 1.00 36.56 C ATOM 1292 NH1 ARG A 249 19.752 7.707 25.732 1.00 37.57 N ATOM 1293 NH2 ARG A 249 20.940 9.351 26.795 1.00 38.46 N ATOM 1294 HE ARG A 249 18.851 10.695 26.584 1.00 0.00 H ATOM 1295 HH12 ARG A 249 20.590 7.093 25.776 1.00 0.00 H ATOM 1296 HH11 ARG A 249 18.877 7.362 25.288 1.00 0.00 H ATOM 1297 HH22 ARG A 249 21.767 8.722 26.829 1.00 0.00 H ATOM 1298 HH21 ARG A 249 20.999 10.310 27.192 1.00 0.00 H ATOM 1299 H ARG A 249 14.496 9.518 21.547 1.00 0.00 H ATOM 1300 N LEU A 250 15.785 5.824 21.694 1.00 17.08 N ATOM 1301 CA LEU A 250 15.044 4.582 21.591 1.00 15.49 C ATOM 1302 C LEU A 250 14.332 4.361 22.934 1.00 17.78 C ATOM 1303 O LEU A 250 14.875 4.619 24.004 1.00 19.53 O ATOM 1304 CB LEU A 250 15.940 3.397 21.312 1.00 15.50 C ATOM 1305 CG LEU A 250 16.628 3.303 19.995 1.00 14.18 C ATOM 1306 CD1 LEU A 250 17.510 2.105 19.957 1.00 15.62 C ATOM 1307 CD2 LEU A 250 15.575 3.273 18.852 1.00 13.42 C ATOM 1308 H LEU A 250 16.820 5.804 21.593 1.00 0.00 H ATOM 1309 N SER A 251 13.154 3.787 22.866 1.00 17.29 N ATOM 1310 CA SER A 251 12.454 3.379 24.063 1.00 19.86 C ATOM 1311 C SER A 251 13.005 2.033 24.512 1.00 19.07 C ATOM 1312 O SER A 251 13.633 1.280 23.782 1.00 15.93 O ATOM 1313 CB SER A 251 10.964 3.289 23.815 1.00 19.30 C ATOM 1314 OG SER A 251 10.690 2.053 23.270 1.00 25.61 O ATOM 1315 HG SER A 251 11.183 1.953 22.418 1.00 0.00 H ATOM 1316 H SER A 251 12.717 3.623 21.936 1.00 0.00 H ATOM 1317 N ALA A 252 12.713 1.723 25.772 1.00 16.05 N ATOM 1318 CA ALA A 252 13.069 0.415 26.267 1.00 16.37 C ATOM 1319 C ALA A 252 12.461 -0.736 25.518 1.00 16.55 C ATOM 1320 O ALA A 252 13.024 -1.768 25.453 1.00 15.83 O ATOM 1321 CB ALA A 252 12.639 0.295 27.729 1.00 18.77 C ATOM 1322 H ALA A 252 12.237 2.411 26.390 1.00 0.00 H ATOM 1323 N ASP A 253 11.265 -0.552 25.001 1.00 18.81 N ATOM 1324 CA ASP A 253 10.702 -1.552 24.092 1.00 15.39 C ATOM 1325 C ASP A 253 11.489 -1.818 22.796 1.00 14.30 C ATOM 1326 O ASP A 253 11.686 -2.904 22.390 1.00 14.46 O ATOM 1327 CB ASP A 253 9.252 -1.252 23.708 1.00 17.05 C ATOM 1328 CG ASP A 253 8.635 -2.429 23.003 1.00 21.58 C ATOM 1329 OD1 ASP A 253 8.445 -3.477 23.700 1.00 25.46 O ATOM 1330 OD2 ASP A 253 8.410 -2.418 21.746 1.00 20.88 O ATOM 1331 H ASP A 253 10.721 0.302 25.238 1.00 0.00 H ATOM 1332 N ASP A 254 12.021 -0.767 22.166 1.00 14.02 N ATOM 1333 CA ASP A 254 12.909 -0.942 20.991 1.00 14.38 C ATOM 1334 C ASP A 254 14.163 -1.688 21.353 1.00 15.53 C ATOM 1335 O ASP A 254 14.640 -2.524 20.637 1.00 14.82 O ATOM 1336 CB ASP A 254 13.343 0.457 20.583 1.00 15.20 C ATOM 1337 CG ASP A 254 12.223 1.289 20.023 1.00 14.83 C ATOM 1338 OD1 ASP A 254 11.441 0.737 19.127 1.00 15.37 O ATOM 1339 OD2 ASP A 254 12.202 2.526 20.383 1.00 16.06 O ATOM 1340 H ASP A 254 11.808 0.193 22.506 1.00 0.00 H ATOM 1341 N ILE A 255 14.711 -1.393 22.529 1.00 15.13 N ATOM 1342 CA ILE A 255 15.938 -2.020 22.943 1.00 16.30 C ATOM 1343 C ILE A 255 15.655 -3.474 23.250 1.00 14.72 C ATOM 1344 O ILE A 255 16.377 -4.316 22.794 1.00 15.00 O ATOM 1345 CB ILE A 255 16.558 -1.263 24.091 1.00 16.90 C ATOM 1346 CG1 ILE A 255 17.106 0.077 23.540 1.00 17.88 C ATOM 1347 CG2 ILE A 255 17.760 -2.062 24.637 1.00 18.62 C ATOM 1348 CD1 ILE A 255 17.191 1.206 24.474 1.00 19.24 C ATOM 1349 H ILE A 255 14.248 -0.703 23.155 1.00 0.00 H ATOM 1350 N ARG A 256 14.542 -3.735 23.953 1.00 14.47 N ATOM 1351 CA ARG A 256 14.123 -5.169 24.170 1.00 14.83 C ATOM 1352 C ARG A 256 14.062 -5.894 22.821 1.00 15.87 C ATOM 1353 O ARG A 256 14.553 -7.007 22.683 1.00 13.55 O ATOM 1354 CB ARG A 256 12.717 -5.194 24.778 1.00 16.42 C ATOM 1355 CG ARG A 256 12.103 -6.601 24.839 1.00 20.52 C ATOM 1356 CD ARG A 256 10.588 -6.500 24.979 1.00 22.58 C ATOM 1357 NE ARG A 256 9.956 -5.951 23.799 1.00 28.41 N ATOM 1358 CZ ARG A 256 9.877 -6.564 22.608 1.00 33.95 C ATOM 1359 NH1 ARG A 256 9.346 -5.915 21.570 1.00 40.72 N ATOM 1360 NH2 ARG A 256 10.334 -7.791 22.419 1.00 30.36 N ATOM 1361 HE ARG A 256 9.529 -5.006 23.880 1.00 0.00 H ATOM 1362 HH12 ARG A 256 9.281 -6.382 20.643 1.00 0.00 H ATOM 1363 HH11 ARG A 256 8.998 -4.942 21.688 1.00 0.00 H ATOM 1364 HH22 ARG A 256 10.257 -8.236 21.482 1.00 0.00 H ATOM 1365 HH21 ARG A 256 10.771 -8.310 23.207 1.00 0.00 H ATOM 1366 H ARG A 256 13.974 -2.957 24.344 1.00 0.00 H ATOM 1367 N GLY A 257 13.363 -5.317 21.847 1.00 15.12 N ATOM 1368 CA GLY A 257 13.217 -6.003 20.568 1.00 15.09 C ATOM 1369 C GLY A 257 14.487 -6.313 19.890 1.00 13.69 C ATOM 1370 O GLY A 257 14.757 -7.406 19.495 1.00 13.77 O ATOM 1371 H GLY A 257 12.925 -4.386 21.996 1.00 0.00 H ATOM 1372 N ILE A 258 15.337 -5.327 19.761 1.00 12.04 N ATOM 1373 CA ILE A 258 16.563 -5.512 19.029 1.00 12.18 C ATOM 1374 C ILE A 258 17.555 -6.439 19.790 1.00 12.81 C ATOM 1375 O ILE A 258 18.206 -7.253 19.182 1.00 14.14 O ATOM 1376 CB ILE A 258 17.200 -4.148 18.571 1.00 12.90 C ATOM 1377 CG1 ILE A 258 18.125 -4.386 17.428 1.00 12.66 C ATOM 1378 CG2 ILE A 258 17.962 -3.470 19.705 1.00 14.05 C ATOM 1379 CD1 ILE A 258 17.396 -4.797 16.117 1.00 16.21 C ATOM 1380 H ILE A 258 15.126 -4.403 20.190 1.00 0.00 H ATOM 1381 N GLN A 259 17.572 -6.312 21.131 1.00 14.35 N ATOM 1382 CA GLN A 259 18.457 -7.191 21.881 1.00 14.52 C ATOM 1383 C GLN A 259 17.962 -8.622 21.879 1.00 16.13 C ATOM 1384 O GLN A 259 18.725 -9.520 22.066 1.00 18.27 O ATOM 1385 CB GLN A 259 18.706 -6.700 23.283 1.00 14.74 C ATOM 1386 CG GLN A 259 19.504 -5.372 23.302 1.00 13.07 C ATOM 1387 CD GLN A 259 20.128 -5.041 24.647 1.00 14.19 C ATOM 1388 OE1 GLN A 259 19.752 -5.649 25.667 1.00 15.04 O ATOM 1389 NE2 GLN A 259 21.022 -4.076 24.662 1.00 12.56 N ATOM 1390 HE22 GLN A 259 21.295 -3.606 23.775 1.00 0.00 H ATOM 1391 HE21 GLN A 259 21.456 -3.783 25.561 1.00 0.00 H ATOM 1392 H GLN A 259 16.974 -5.611 21.613 1.00 0.00 H ATOM 1393 N SER A 260 16.677 -8.801 21.650 1.00 16.89 N ATOM 1394 CA SER A 260 16.170 -10.172 21.512 1.00 20.37 C ATOM 1395 C SER A 260 16.681 -10.851 20.300 1.00 23.70 C ATOM 1396 O SER A 260 16.828 -12.070 20.271 1.00 23.15 O ATOM 1397 CB SER A 260 14.652 -10.201 21.607 1.00 21.80 C ATOM 1398 OG SER A 260 14.063 -9.675 20.428 1.00 26.48 O ATOM 1399 HG SER A 260 14.358 -8.738 20.303 1.00 0.00 H ATOM 1400 H SER A 260 16.034 -7.987 21.569 1.00 0.00 H ATOM 1401 N LEU A 261 17.026 -10.088 19.275 1.00 17.99 N ATOM 1402 CA LEU A 261 17.616 -10.682 18.069 1.00 18.27 C ATOM 1403 C LEU A 261 19.127 -10.731 18.011 1.00 19.56 C ATOM 1404 O LEU A 261 19.690 -11.617 17.406 1.00 23.80 O ATOM 1405 CB LEU A 261 17.090 -9.885 16.843 1.00 19.10 C ATOM 1406 CG LEU A 261 15.632 -9.961 16.496 1.00 21.90 C ATOM 1407 CD1 LEU A 261 15.257 -8.903 15.476 1.00 21.72 C ATOM 1408 CD2 LEU A 261 15.253 -11.372 16.039 1.00 23.22 C ATOM 1409 H LEU A 261 16.878 -9.060 19.324 1.00 0.00 H ATOM 1410 N TYR A 262 19.820 -9.748 18.599 1.00 17.09 N ATOM 1411 CA TYR A 262 21.247 -9.606 18.418 1.00 20.21 C ATOM 1412 C TYR A 262 21.939 -9.520 19.772 1.00 26.33 C ATOM 1413 O TYR A 262 21.617 -8.633 20.563 1.00 34.11 O ATOM 1414 CB TYR A 262 21.559 -8.365 17.629 1.00 18.90 C ATOM 1415 CG TYR A 262 20.938 -8.439 16.246 1.00 18.63 C ATOM 1416 CD1 TYR A 262 21.527 -9.147 15.199 1.00 19.42 C ATOM 1417 CD2 TYR A 262 19.750 -7.751 15.991 1.00 17.85 C ATOM 1418 CE1 TYR A 262 20.995 -9.173 13.940 1.00 19.16 C ATOM 1419 CE2 TYR A 262 19.182 -7.777 14.703 1.00 18.71 C ATOM 1420 CZ TYR A 262 19.789 -8.482 13.700 1.00 18.31 C ATOM 1421 OH TYR A 262 19.177 -8.578 12.496 1.00 23.65 O ATOM 1422 HH TYR A 262 18.297 -9.017 12.609 1.00 0.00 H ATOM 1423 H TYR A 262 19.317 -9.067 19.203 1.00 0.00 H ATOM 1424 N GLY A 263 22.853 -10.450 20.003 1.00 36.70 N ATOM 1425 CA GLY A 263 23.412 -10.722 21.345 1.00 41.86 C ATOM 1426 C GLY A 263 22.878 -12.026 21.949 1.00 46.57 C ATOM 1427 O GLY A 263 23.045 -12.322 23.140 1.00 49.45 O ATOM 1428 OXT GLY A 263 22.249 -12.842 21.258 1.00 52.90 O ATOM 1429 H GLY A 263 23.195 -11.017 19.201 1.00 0.00 H TER 1430 GLY A 263 HETATM 1431 ZN ZN A 1 7.109 0.280 10.044 1.00 12.68 ZN HETATM 1432 ZN ZN A 2 9.820 -1.108 -1.816 1.00 11.84 ZN HETATM 1433 CA CA A 3 19.514 -6.576 0.881 1.00 25.18 CA HETATM 1434 CA CA A 4 10.720 13.932 -2.477 1.00 12.28 CA HETATM 1435 CA CA A 5 3.472 7.911 0.289 1.00 11.31 CA HETATM 1436 O HOH 6 20.217 -8.452 3.056 1.00 13.51 O HETATM 1437 O HOH 7 24.717 19.973 4.441 1.00 43.77 O HETATM 1438 O HOH 8 1.944 11.313 12.362 1.00 42.77 O HETATM 1439 O HOH 9 8.393 -7.990 -2.353 1.00 34.54 O HETATM 1440 O HOH 10 9.358 1.633 26.245 1.00 47.18 O HETATM 1441 O HOH 11 5.053 3.644 27.192 1.00 26.52 O HETATM 1442 O HOH 12 14.576 20.073 15.478 1.00 36.74 O HETATM 1443 O HOH 13 28.207 -10.372 7.970 1.00 42.11 O HETATM 1444 O HOH 14 29.023 12.731 13.715 1.00 39.53 O HETATM 1445 O HOH 15 27.962 -8.299 5.905 1.00 32.68 O HETATM 1446 O HOH 16 6.745 6.053 16.773 1.00 25.58 O HETATM 1447 O HOH 17 20.698 14.375 -2.388 1.00 29.60 O HETATM 1448 O HOH 18 21.198 -5.789 -0.568 1.00 24.80 O HETATM 1449 O HOH 19 4.045 9.746 -7.993 1.00 43.54 O HETATM 1450 O HOH 20 11.080 23.276 10.134 1.00 28.62 O HETATM 1451 O HOH 21 22.083 23.252 1.687 1.00 28.08 O HETATM 1452 O HOH 22 -1.152 -2.449 19.293 1.00 26.58 O HETATM 1453 O HOH 23 22.117 -7.482 22.773 1.00 31.73 O HETATM 1454 O HOH 24 1.736 9.720 6.051 1.00 32.04 O HETATM 1455 O HOH 25 4.505 13.520 3.340 1.00 33.39 O HETATM 1456 O HOH 26 5.628 8.027 17.237 1.00 28.51 O HETATM 1457 O HOH 27 12.543 17.894 -3.909 1.00 24.25 O HETATM 1458 O HOH 28 6.657 -9.130 -0.024 1.00 56.87 O HETATM 1459 O HOH 29 32.504 -3.227 4.654 1.00 22.47 O HETATM 1460 O HOH 30 8.633 16.623 10.465 1.00 20.95 O HETATM 1461 O HOH 31 22.399 -9.697 3.082 1.00 25.47 O HETATM 1462 O HOH 32 35.276 -3.600 7.972 1.00 31.18 O HETATM 1463 O HOH 33 16.151 20.864 -0.489 1.00 34.56 O HETATM 1464 O HOH 34 11.924 -10.738 14.280 1.00 29.86 O HETATM 1465 O HOH 35 27.856 2.534 17.700 1.00 41.24 O HETATM 1466 O HOH 36 19.139 -5.477 -2.951 1.00 33.57 O HETATM 1467 O HOH 37 16.020 -2.794 -2.770 1.00 17.08 O HETATM 1468 O HOH 38 6.534 15.749 -1.544 1.00 19.96 O HETATM 1469 O HOH 39 0.068 12.165 15.639 1.00 41.84 O HETATM 1470 O HOH 40 9.555 -5.796 18.935 1.00 44.29 O HETATM 1471 O HOH 41 25.905 6.996 5.465 1.00 19.18 O HETATM 1472 O HOH 42 27.279 5.341 -3.900 1.00 36.84 O HETATM 1473 O HOH 43 16.509 -14.330 6.661 1.00 21.30 O HETATM 1474 O HOH 44 1.092 0.250 24.801 1.00 25.93 O HETATM 1475 O HOH 45 5.493 -10.296 -3.769 1.00 47.45 O HETATM 1476 O HOH 46 14.814 9.953 -5.955 1.00 18.09 O HETATM 1477 O HOH 47 28.358 -7.066 2.024 1.00 20.97 O HETATM 1478 O HOH 48 8.625 12.740 -6.278 1.00 27.32 O HETATM 1479 O HOH 49 26.552 4.326 0.450 1.00 17.00 O HETATM 1480 O HOH 50 17.667 9.754 -6.609 1.00 17.51 O HETATM 1481 O HOH 51 19.335 14.873 25.708 1.00 49.77 O HETATM 1482 O HOH 52 19.597 13.400 -6.049 1.00 37.58 O HETATM 1483 O HOH 53 4.013 7.646 18.922 1.00 24.55 O HETATM 1484 O HOH 54 4.929 7.260 -4.460 1.00 12.76 O HETATM 1485 O HOH 55 9.479 -6.838 16.662 1.00 32.37 O HETATM 1486 O HOH 56 23.093 8.448 16.298 1.00 29.70 O HETATM 1487 O HOH 57 26.079 5.805 -1.918 1.00 30.33 O HETATM 1488 O HOH 58 7.386 6.831 18.908 1.00 36.52 O HETATM 1489 O HOH 59 11.753 5.962 20.496 1.00 25.41 O HETATM 1490 O HOH 60 -1.208 9.863 -1.942 1.00 39.14 O HETATM 1491 O HOH 61 6.686 14.801 3.495 1.00 16.16 O HETATM 1492 O HOH 62 2.692 1.527 -0.040 1.00 18.14 O HETATM 1493 O HOH 63 32.695 1.593 6.140 1.00 29.98 O HETATM 1494 O HOH 64 5.031 12.939 6.767 1.00 34.49 O HETATM 1495 O HOH 65 15.550 -8.539 24.733 1.00 22.30 O HETATM 1496 O HOH 66 6.981 -1.559 -5.783 1.00 13.64 O HETATM 1497 O HOH 67 14.930 18.737 2.683 1.00 13.81 O HETATM 1498 O HOH 68 27.636 4.239 9.062 1.00 35.22 O HETATM 1499 O HOH 69 32.910 3.116 2.352 1.00 16.71 O HETATM 1500 O HOH 70 13.153 -10.221 3.725 1.00 34.26 O HETATM 1501 O HOH 71 21.794 -11.371 -1.750 1.00 28.42 O HETATM 1502 O HOH 72 4.293 -0.278 1.486 1.00 20.98 O HETATM 1503 O HOH 73 7.239 -2.697 -9.647 1.00 19.39 O HETATM 1504 O HOH 74 6.045 -3.595 -7.697 1.00 35.35 O HETATM 1505 O HOH 75 26.777 4.496 11.456 1.00 22.68 O HETATM 1506 O HOH 76 23.249 -12.855 17.690 1.00 36.35 O HETATM 1507 O HOH 77 11.153 -6.810 9.610 1.00 29.33 O HETATM 1508 O HOH 78 26.070 -9.609 7.149 1.00 56.48 O HETATM 1509 O HOH 79 6.577 -6.676 16.466 1.00 35.33 O HETATM 1510 O HOH 80 17.202 13.604 8.531 1.00 14.65 O HETATM 1511 O HOH 81 22.038 21.170 5.386 1.00 25.24 O HETATM 1512 O HOH 82 29.017 12.316 2.922 1.00 35.14 O HETATM 1513 O HOH 83 -1.515 10.972 4.380 1.00 33.95 O HETATM 1514 O HOH 84 7.613 -4.447 19.933 1.00 38.77 O HETATM 1515 O HOH 85 27.147 -1.153 -6.651 1.00 28.34 O HETATM 1516 O HOH 86 9.415 -3.762 17.808 1.00 22.95 O HETATM 1517 O HOH 87 33.421 2.272 -3.676 1.00 19.92 O HETATM 1518 O HOH 88 10.087 -1.775 19.545 1.00 19.45 O HETATM 1519 O HOH 89 20.786 -8.542 0.682 1.00 20.02 O HETATM 1520 O HOH 90 13.325 22.078 10.427 1.00 16.11 O HETATM 1521 O HOH 91 25.346 3.241 -4.590 1.00 30.90 O HETATM 1522 O HOH 92 21.066 15.172 7.821 1.00 20.48 O HETATM 1523 O HOH 93 17.519 19.140 -5.697 1.00 37.41 O HETATM 1524 O HOH 94 21.858 14.199 -4.922 1.00 36.04 O HETATM 1525 O HOH 95 2.345 8.494 10.785 1.00 26.04 O HETATM 1526 O HOH 96 13.799 5.747 -7.896 1.00 32.91 O HETATM 1527 O HOH 97 27.935 13.279 5.343 1.00 23.48 O HETATM 1528 O HOH 98 15.406 -2.225 27.034 1.00 36.65 O HETATM 1529 O HOH 99 16.020 19.407 5.043 1.00 13.06 O HETATM 1530 O HOH 100 1.266 -2.516 12.475 1.00 26.00 O HETATM 1531 O HOH 101 26.881 -1.416 21.848 1.00 22.67 O HETATM 1532 O HOH 102 30.806 3.036 7.719 1.00 27.60 O HETATM 1533 O HOH 103 19.477 -6.837 7.262 1.00 18.32 O HETATM 1534 O HOH 104 34.034 0.960 -7.157 1.00 31.59 O HETATM 1535 O HOH 105 23.291 2.887 -7.523 1.00 29.61 O HETATM 1536 O HOH 106 11.778 8.556 -7.599 1.00 31.75 O HETATM 1537 O HOH 107 1.798 5.814 -6.568 1.00 34.48 O HETATM 1538 O HOH 108 6.849 19.708 3.353 1.00 37.18 O HETATM 1539 O HOH 109 26.350 17.194 -0.431 1.00 25.20 O HETATM 1540 O HOH 110 20.838 4.504 20.631 1.00 19.94 O HETATM 1541 O HOH 111 5.312 15.692 13.694 1.00 27.13 O HETATM 1542 O HOH 112 17.136 15.240 26.204 1.00 48.35 O HETATM 1543 O HOH 113 34.485 -1.018 9.828 1.00 31.61 O HETATM 1544 O HOH 114 30.719 -7.135 17.092 1.00 31.21 O HETATM 1545 O HOH 115 2.533 -4.535 18.294 1.00 45.77 O HETATM 1546 O HOH 116 11.169 3.625 27.391 1.00 23.71 O HETATM 1547 O HOH 117 6.393 -5.534 23.267 1.00 49.90 O HETATM 1548 O HOH 118 26.762 2.581 23.025 1.00 49.25 O HETATM 1549 O HOH 119 28.345 0.354 13.750 1.00 21.96 O HETATM 1550 O HOH 120 14.998 -10.644 -3.161 1.00 28.90 O HETATM 1551 O HOH 121 27.066 2.595 13.383 1.00 29.26 O HETATM 1552 O HOH 122 8.145 -1.679 6.589 1.00 15.50 O HETATM 1553 O HOH 123 17.732 5.065 24.636 1.00 34.49 O HETATM 1554 O HOH 124 27.081 -9.356 2.704 1.00 42.58 O HETATM 1555 O HOH 125 1.189 12.272 -4.991 1.00 23.40 O HETATM 1556 O HOH 126 4.682 -5.769 12.781 1.00 29.46 O HETATM 1557 O HOH 127 14.117 7.911 -7.469 1.00 36.10 O HETATM 1558 O HOH 128 5.265 -3.901 21.428 1.00 34.68 O HETATM 1559 O HOH 129 12.892 10.434 -9.195 1.00 37.69 O HETATM 1560 O HOH 130 24.122 17.433 -2.975 1.00 27.58 O HETATM 1561 O HOH 131 20.644 8.651 29.723 1.00 43.33 O HETATM 1562 O HOH 132 9.346 15.778 -2.500 1.00 19.26 O HETATM 1563 O HOH 133 0.807 6.509 10.589 1.00 26.03 O HETATM 1564 O HOH 134 11.222 -9.457 24.807 1.00 36.84 O HETATM 1565 O HOH 135 20.850 -9.927 10.308 1.00 31.99 O HETATM 1566 O HOH 136 10.580 14.378 -4.851 1.00 15.25 O HETATM 1567 O HOH 137 11.617 7.106 23.927 1.00 40.93 O HETATM 1568 O HOH 138 11.538 15.581 22.045 1.00 44.10 O HETATM 1569 O HOH 139 14.015 -0.088 -6.100 1.00 37.15 O HETATM 1570 O HOH 140 20.589 20.860 7.600 1.00 29.39 O HETATM 1571 O HOH 141 12.113 13.626 -6.982 1.00 30.93 O HETATM 1572 O HOH 142 21.306 9.551 -6.805 1.00 11.89 O HETATM 1573 O HOH 143 18.877 5.632 22.155 1.00 25.91 O HETATM 1574 O HOH 144 30.194 -9.298 17.712 1.00 41.17 O HETATM 1575 O HOH 145 23.429 -4.088 -2.882 1.00 20.27 O HETATM 1576 O HOH 146 13.181 -3.068 -5.542 1.00 33.97 O HETATM 1577 O HOH 147 32.568 1.024 10.021 1.00 48.34 O HETATM 1578 O HOH 148 10.384 -9.114 4.954 1.00 30.75 O HETATM 1579 O HOH 149 12.447 10.114 21.452 1.00 31.97 O HETATM 1580 O HOH 150 5.799 17.436 3.572 1.00 27.04 O HETATM 1581 O HOH 151 19.128 22.185 14.288 1.00 43.34 O HETATM 1582 O HOH 152 23.878 -8.920 -0.812 1.00 35.54 O HETATM 1583 O HOH 153 11.978 -8.199 18.094 1.00 44.36 O HETATM 1584 O HOH 154 19.990 -8.550 5.264 1.00 17.67 O HETATM 1585 O HOH 155 2.754 8.619 8.468 1.00 40.37 O HETATM 1586 O HOH 156 10.004 -8.659 19.315 1.00 33.73 O HETATM 1587 O HOH 157 25.875 -8.687 0.842 1.00 42.72 O HETATM 1588 O HOH 158 19.570 14.261 10.008 1.00 22.06 O HETATM 1589 O HOH 159 9.251 8.995 21.768 1.00 67.89 O HETATM 1590 O HOH 160 -0.891 7.947 12.652 1.00 29.74 O HETATM 1591 O HOH 161 28.893 -2.473 -7.849 1.00 33.48 O HETATM 1592 O HOH 162 8.422 23.450 4.593 1.00 38.62 O HETATM 1593 O HOH 163 13.361 -10.536 1.387 1.00 47.96 O HETATM 1594 O HOH 164 18.345 -11.801 12.586 1.00 48.54 O HETATM 1595 O HOH 165 6.526 19.531 9.224 1.00 45.38 O HETATM 1596 O HOH 166 7.689 -3.977 7.904 1.00 23.92 O HETATM 1597 O HOH 167 2.769 5.660 26.625 1.00 44.18 O HETATM 1598 O HOH 168 5.217 15.664 6.901 1.00 42.22 O HETATM 1599 O HOH 169 31.597 8.209 -3.090 1.00 44.89 O HETATM 1600 O HOH 170 10.904 24.586 12.467 1.00 33.45 O HETATM 1601 O HOH 171 23.005 7.247 -7.793 1.00 38.00 O HETATM 1602 O HOH 172 24.422 7.216 -5.952 1.00 40.12 O HETATM 1603 O HOH 173 7.041 -5.985 -9.991 1.00 42.97 O HETATM 1604 O HOH 174 -0.341 7.709 -6.332 1.00 22.80 O HETATM 1605 O HOH 175 3.307 14.289 11.953 1.00 55.71 O HETATM 1606 O HOH 176 1.982 -2.558 9.314 1.00 26.58 O HETATM 1607 O HOH 177 5.324 17.958 7.277 1.00 47.18 O HETATM 1608 O HOH 178 13.303 21.613 5.213 1.00 33.95 O HETATM 1609 O HOH 179 6.376 -4.873 10.595 1.00 33.95 O HETATM 1610 O HOH 180 10.272 7.497 18.971 1.00 34.16 O HETATM 1611 O HOH 181 1.082 -1.202 15.904 1.00 35.42 O HETATM 1612 O HOH 182 28.177 11.075 7.111 1.00 23.74 O HETATM 1613 O HOH 183 29.807 9.424 3.849 1.00 36.51 O HETATM 1614 O HOH 184 5.947 17.623 11.753 1.00 45.76 O HETATM 1615 O HOH 185 -0.632 -1.880 24.302 1.00 39.45 O HETATM 1616 O HOH 186 14.516 21.958 14.057 1.00 42.91 O HETATM 1617 O HOH 187 6.811 -4.953 2.908 1.00 31.11 O HETATM 1618 O HOH 188 9.803 18.035 -3.810 1.00 30.72 O HETATM 1619 O HOH 189 15.278 2.810 28.421 1.00 39.42 O HETATM 1620 O HOH 190 28.525 8.583 5.695 1.00 23.24 O HETATM 1621 O HOH 191 13.927 12.044 -7.678 1.00 25.33 O HETATM 1622 O HOH 192 6.282 5.799 -10.749 1.00 37.09 O HETATM 1623 O HOH 193 5.464 -2.030 5.575 1.00 29.65 O HETATM 1624 O HOH 194 3.209 12.446 5.255 1.00 41.68 O HETATM 1625 O HOH 195 15.278 -9.696 -5.403 1.00 48.25 O HETATM 1626 O HOH 196 4.801 14.841 9.004 1.00 43.45 O HETATM 1627 O HOH 197 20.897 -8.036 8.810 1.00 35.38 O HETATM 1628 O HOH 198 28.573 15.897 -1.294 1.00 54.74 O HETATM 1629 O HOH 199 8.803 -8.501 10.340 1.00 49.28 O HETATM 1630 O HOH 200 -1.827 7.113 6.063 1.00 39.37 O HETATM 1631 O HOH 201 13.655 -10.384 24.941 1.00 26.14 O HETATM 1632 O HOH 202 22.329 4.812 22.914 1.00 27.88 O HETATM 1633 O HOH 203 -2.102 5.264 4.880 1.00 38.20 O HETATM 1634 O HOH 204 4.931 7.938 -10.069 1.00 52.72 O HETATM 1635 O HOH 205 23.023 -10.251 10.859 1.00 41.75 O HETATM 1636 O HOH 206 30.168 7.058 7.179 1.00 42.45 O HETATM 1637 O HOH 207 5.823 18.163 -2.063 1.00 40.45 O HETATM 1638 O HOH 208 10.815 9.710 19.486 1.00 32.66 O HETATM 1639 O HOH 209 8.804 -10.207 1.550 1.00 53.95 O HETATM 1640 O HOH 210 11.159 -10.226 2.151 1.00 43.17 O HETATM 1641 O HOH 211 10.823 -10.978 -0.179 1.00 50.73 O HETATM 1642 O3 LPW A 212 5.477 0.660 8.913 1.00 -0.39 O HETATM 1643 C24 LPW A 212 5.683 1.085 7.748 1.00 0.21 C HETATM 1644 N1 LPW A 212 6.848 1.240 7.208 1.00 -0.16 N HETATM 1645 ON1 LPW A 212 7.885 0.899 8.019 1.00 -0.27 O HETATM 1646 H2 LPW A 212 8.704 1.038 7.559 1.00 0.25 H HETATM 1647 H1 LPW A 212 6.975 1.581 6.276 1.00 0.22 H HETATM 1648 C23 LPW A 212 4.536 1.370 6.813 1.00 0.07 C HETATM 1649 C22 LPW A 212 3.353 1.875 7.636 1.00 0.00 C HETATM 1650 C21 LPW A 212 2.511 0.927 8.121 1.00 -0.06 C HETATM 1651 C20 LPW A 212 1.407 1.254 8.889 1.00 -0.07 C HETATM 1652 C19 LPW A 212 1.168 2.531 9.176 1.00 -0.07 C HETATM 1653 C18 LPW A 212 1.966 3.532 8.709 1.00 -0.04 C HETATM 1654 C17 LPW A 212 3.117 3.221 7.911 1.00 0.10 C HETATM 1655 S1 LPW A 212 4.092 4.512 7.418 1.00 0.02 S HETATM 1656 OSB LPW A 212 3.224 5.618 7.358 1.00 -0.17 O HETATM 1657 OSA LPW A 212 4.776 4.235 6.245 1.00 -0.17 O HETATM 1658 C13 LPW A 212 5.156 4.841 8.642 1.00 0.09 C HETATM 1659 C12 LPW A 212 6.549 4.901 8.394 1.00 -0.04 C HETATM 1660 C11 LPW A 212 7.439 5.297 9.361 1.00 -0.05 C HETATM 1661 C10 LPW A 212 7.053 5.614 10.625 1.00 -0.02 C HETATM 1662 C15 LPW A 212 5.640 5.634 10.892 1.00 -0.05 C HETATM 1663 C14 LPW A 212 4.729 5.206 9.913 1.00 -0.04 C HETATM 1664 H12 LPW A 212 3.673 5.159 10.153 1.00 0.06 H HETATM 1665 H11 LPW A 212 5.277 5.981 11.853 1.00 0.06 H HETATM 1666 C4 LPW A 212 7.918 6.198 11.686 1.00 -0.03 C HETATM 1667 C3 LPW A 212 8.842 7.139 11.236 1.00 -0.06 C HETATM 1668 C2 LPW A 212 9.632 7.845 12.154 1.00 -0.03 C HETATM 1669 C1 LPW A 212 9.427 7.728 13.523 1.00 0.09 C HETATM 1670 OA LPW A 212 10.191 8.465 14.374 1.00 -0.32 O HETATM 1671 C8 LPW A 212 9.772 8.602 15.740 1.00 0.06 C HETATM 1672 H15 LPW A 212 10.497 9.224 16.285 1.00 0.06 H HETATM 1673 H16 LPW A 212 9.716 7.608 16.208 1.00 0.06 H HETATM 1674 H17 LPW A 212 8.781 9.079 15.774 1.00 0.06 H HETATM 1675 C6 LPW A 212 8.469 6.762 13.960 1.00 -0.03 C HETATM 1676 C5 LPW A 212 7.685 6.075 13.054 1.00 -0.06 C HETATM 1677 H19 LPW A 212 6.884 5.437 13.409 1.00 0.06 H HETATM 1678 H18 LPW A 212 8.356 6.565 15.020 1.00 0.05 H HETATM 1679 H14 LPW A 212 10.418 8.495 11.788 1.00 0.05 H HETATM 1680 H13 LPW A 212 8.950 7.325 10.174 1.00 0.06 H HETATM 1681 H10 LPW A 212 8.491 5.359 9.107 1.00 0.06 H HETATM 1682 H9 LPW A 212 6.923 4.627 7.414 1.00 0.06 H HETATM 1683 H8 LPW A 212 1.731 4.564 8.941 1.00 0.06 H HETATM 1684 H7 LPW A 212 0.316 2.782 9.798 1.00 0.06 H HETATM 1685 H6 LPW A 212 0.744 0.478 9.253 1.00 0.06 H HETATM 1686 H5 LPW A 212 2.709 -0.116 7.901 1.00 0.06 H HETATM 1687 H3 LPW A 212 4.252 0.449 6.282 1.00 0.07 H HETATM 1688 H4 LPW A 212 4.834 2.137 6.083 1.00 0.07 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 144 143 1434 CONECT 145 143 1434 CONECT 483 482 1433 CONECT 578 576 577 1432 CONECT 592 590 1432 CONECT 638 637 1435 CONECT 644 643 1435 CONECT 662 661 1435 CONECT 672 671 1435 CONECT 702 700 701 1432 CONECT 750 749 1433 CONECT 764 763 1433 CONECT 777 776 1433 CONECT 792 791 794 1432 CONECT 821 820 1434 CONECT 826 824 1434 CONECT 1004 1002 1003 1431 CONECT 1039 1037 1038 1431 CONECT 1086 1084 1085 1431 CONECT 1431 1004 1039 1086 CONECT 1432 578 592 702 792 CONECT 1433 483 750 764 777 CONECT 1434 144 145 821 826 CONECT 1435 638 644 662 672 CONECT 1642 1643 CONECT 1643 1642 1644 1648 CONECT 1644 1643 1645 1647 CONECT 1645 1644 1646 CONECT 1646 1645 CONECT 1647 1644 CONECT 1648 1643 1649 1687 1688 CONECT 1649 1648 1650 1654 CONECT 1650 1649 1651 1686 CONECT 1651 1650 1652 1685 CONECT 1652 1651 1653 1684 CONECT 1653 1652 1654 1683 CONECT 1654 1649 1653 1655 CONECT 1655 1654 1656 1657 1658 CONECT 1656 1655 CONECT 1657 1655 CONECT 1658 1655 1659 1663 CONECT 1659 1658 1660 1682 CONECT 1660 1659 1661 1681 CONECT 1661 1660 1662 1666 CONECT 1662 1661 1663 1665 CONECT 1663 1658 1662 1664 CONECT 1664 1663 CONECT 1665 1662 CONECT 1666 1661 1667 1676 CONECT 1667 1666 1668 1680 CONECT 1668 1667 1669 1679 CONECT 1669 1668 1670 1675 CONECT 1670 1669 1671 CONECT 1671 1670 1672 1673 1674 CONECT 1672 1671 CONECT 1673 1671 CONECT 1674 1671 CONECT 1675 1669 1676 1678 CONECT 1676 1666 1675 1677 CONECT 1677 1676 CONECT 1678 1675 CONECT 1679 1668 CONECT 1680 1667 CONECT 1681 1660 CONECT 1682 1659 CONECT 1683 1653 CONECT 1684 1652 CONECT 1685 1651 CONECT 1686 1650 CONECT 1687 1648 CONECT 1688 1648 MASTER 0 0 0 0 0 0 0 0 1687 1 75 12 END
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Related entries of code: 6enm
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3ehy
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3lik
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159aa, >3LIK_1|Chain... at 98%
3lil
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3lir
RCSB PDB
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3n2v
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3nx7
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3tsk
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4gql
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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
6enm
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
MMP12
Ligand Name
LPW
EC.Number
E.C.-.-.-.-
Resolution
1.59(Å)
Affinity (Kd/Ki/IC50)
IC50=4.8nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Med. Chem. Vol. 61: pp. 4421-4435
Ligand Properties
Formula
C
2
1
H
1
9
NO
5
S
Molecular Weight
397.444
Exact Mass
397.098
No. of atoms
47
No. of bonds
49
Polar Surface Area
101.08
LOGP Value
3.04 (
Computed with XLOGP3
)
4.71 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
ONC(=O)Cc1ccccc1S(=O)(=O)c1ccc(cc1)c1ccc(cc1)OC
InChI String
InChI=1S/C21H19NO5S/c1-27-18-10-6-15(7-11-18)16-8-12-19(13-9-16)28(25,26)20-5-3-2-4-17(20)14-21(23)22-24/h2-13,24H,14H2,1H3,(H,22,23)
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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