Browse entries in the PDBbind-CN Database
HEADER 6N4T_COMPLEX COMPND 6N4T_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 241 VAL VAL GLY GLY THR ASP ALA ASP GLU GLY GLU TRP PRO SEQRES 2 A 241 TRP GLN VAL SER LEU HIS ALA LEU GLY GLN GLY HIS ILE SEQRES 3 A 241 CYS GLY ALA SER LEU ILE SER PRO ASN TRP LEU VAL SER SEQRES 4 A 241 ALA ALA HIS CYS TYR ILE ASP ASP ARG GLY PHE ARG TYR SEQRES 5 A 241 SER ASP PRO THR GLN TRP THR ALA PHE LEU GLY LEU HIS SEQRES 6 A 241 ASP GLN SER GLN ARG SER ALA PRO GLY VAL GLN GLU ARG SEQRES 7 A 241 ARG LEU LYS ARG ILE ILE SER HIS PRO PHE PHE ASN ASP SEQRES 8 A 241 PHE THR PHE ASP TYR ASP ILE ALA LEU LEU GLU LEU GLU SEQRES 9 A 241 LYS PRO ALA GLU TYR SER SER MET VAL ARG PRO ILE CYS SEQRES 10 A 241 LEU PRO ASP ALA SER HIS VAL PHE PRO ALA GLY LYS ALA SEQRES 11 A 241 ILE TRP VAL THR GLY TRP GLY HIS THR GLN TYR GLY GLY SEQRES 12 A 241 THR GLY ALA LEU ILE LEU GLN LYS GLY GLU ILE ARG VAL SEQRES 13 A 241 ILE ASN GLN THR THR CYS GLU ASN LEU LEU PRO GLN GLN SEQRES 14 A 241 ILE THR PRO ARG MET MET CYS VAL GLY PHE LEU SER GLY SEQRES 15 A 241 GLY VAL ASP SER CYS GLN GLY ASP SER GLY GLY PRO LEU SEQRES 16 A 241 SER SER VAL GLU ALA ASP GLY ARG ILE PHE GLN ALA GLY SEQRES 17 A 241 VAL VAL SER TRP GLY ASP GLY CYS ALA GLN ARG ASN LYS SEQRES 18 A 241 PRO GLY VAL TYR THR ARG LEU PRO LEU PHE ARG ASP TRP SEQRES 19 A 241 ILE LYS GLU ASN THR GLY VAL HET MG A 1 1 HET KD A 7 90 SSBOND 1 CYS A 42 CYS A 58 SSBOND 2 CYS A 168 CYS A 182 SSBOND 3 CYS A 191 CYS A 220 ATOM 1 N VAL A 16 -6.800 -11.921 20.642 1.00 11.39 N ATOM 2 CA VAL A 16 -6.461 -13.183 21.300 1.00 12.54 C ATOM 3 C VAL A 16 -5.328 -12.936 22.291 1.00 12.53 C ATOM 4 O VAL A 16 -4.268 -12.394 21.920 1.00 12.00 O ATOM 5 CB VAL A 16 -6.083 -14.282 20.257 1.00 11.12 C ATOM 6 CG1 VAL A 16 -5.744 -15.616 20.950 1.00 8.57 C ATOM 7 CG2 VAL A 16 -7.219 -14.453 19.234 1.00 11.43 C ATOM 8 HN3 VAL A 16 -5.965 -11.559 20.139 1.00 0.00 H ATOM 9 HN2 VAL A 16 -7.103 -11.229 21.357 1.00 0.00 H ATOM 10 HN1 VAL A 16 -7.572 -12.081 19.964 1.00 0.00 H ATOM 11 N VAL A 17 -5.556 -13.304 23.551 1.00 9.22 N ATOM 12 CA VAL A 17 -4.522 -13.231 24.583 1.00 8.11 C ATOM 13 C VAL A 17 -3.827 -14.586 24.682 1.00 10.84 C ATOM 14 O VAL A 17 -4.482 -15.635 24.664 1.00 11.36 O ATOM 15 CB VAL A 17 -5.125 -12.817 25.939 1.00 11.63 C ATOM 16 CG1 VAL A 17 -4.037 -12.710 26.995 1.00 15.67 C ATOM 17 CG2 VAL A 17 -5.875 -11.475 25.821 1.00 8.59 C ATOM 18 H VAL A 17 -6.500 -13.655 23.809 1.00 0.00 H ATOM 19 N GLY A 18 -2.498 -14.572 24.771 1.00 13.13 N ATOM 20 CA GLY A 18 -1.755 -15.812 24.933 1.00 12.79 C ATOM 21 C GLY A 18 -1.674 -16.696 23.705 1.00 13.28 C ATOM 22 O GLY A 18 -1.385 -17.892 23.834 1.00 13.56 O ATOM 23 H GLY A 18 -1.987 -13.667 24.724 1.00 0.00 H ATOM 24 N GLY A 19 -1.905 -16.148 22.511 1.00 12.50 N ATOM 25 CA GLY A 19 -1.845 -16.913 21.285 1.00 16.32 C ATOM 26 C GLY A 19 -0.554 -16.692 20.512 1.00 14.44 C ATOM 27 O GLY A 19 0.425 -16.139 21.015 1.00 14.21 O ATOM 28 H GLY A 19 -2.136 -15.135 22.460 1.00 0.00 H ATOM 29 N THR A 20 -0.553 -17.163 19.262 1.00 14.59 N ATOM 30 CA THR A 20 0.598 -17.001 18.374 1.00 13.42 C ATOM 31 C THR A 20 0.121 -16.651 16.969 1.00 13.89 C ATOM 32 O THR A 20 -1.054 -16.826 16.623 1.00 10.84 O ATOM 33 CB THR A 20 1.490 -18.269 18.316 1.00 21.07 C ATOM 34 OG1 THR A 20 0.785 -19.346 17.677 1.00 21.59 O ATOM 35 CG2 THR A 20 1.907 -18.713 19.708 1.00 24.75 C ATOM 36 HG1 THR A 20 1.366 -20.147 17.647 1.00 0.00 H ATOM 37 H THR A 20 -1.396 -17.660 18.910 1.00 0.00 H ATOM 38 N ASP A 21 1.056 -16.155 16.156 1.00 14.07 N ATOM 39 CA ASP A 21 0.770 -15.868 14.754 1.00 14.53 C ATOM 40 C ASP A 21 0.237 -17.108 14.048 1.00 14.99 C ATOM 41 O ASP A 21 0.819 -18.188 14.140 1.00 13.48 O ATOM 42 CB ASP A 21 2.027 -15.395 14.020 1.00 16.94 C ATOM 43 CG ASP A 21 2.499 -14.026 14.458 1.00 20.80 C ATOM 44 OD1 ASP A 21 1.889 -13.424 15.371 1.00 19.90 O ATOM 45 OD2 ASP A 21 3.496 -13.550 13.866 1.00 18.18 O ATOM 46 H ASP A 21 2.009 -15.969 16.530 1.00 0.00 H ATOM 47 N ALA A 22 -0.859 -16.941 13.322 1.00 13.54 N ATOM 48 CA ALA A 22 -1.331 -17.981 12.424 1.00 14.94 C ATOM 49 C ALA A 22 -0.442 -18.059 11.187 1.00 16.07 C ATOM 50 O ALA A 22 0.227 -17.095 10.808 1.00 15.57 O ATOM 51 CB ALA A 22 -2.776 -17.705 11.995 1.00 14.29 C ATOM 52 H ALA A 22 -1.390 -16.050 13.396 1.00 0.00 H ATOM 53 N ASP A 23 -0.448 -19.228 10.549 1.00 16.73 N ATOM 54 CA ASP A 23 0.130 -19.362 9.220 1.00 18.97 C ATOM 55 C ASP A 23 -0.804 -18.756 8.179 1.00 22.31 C ATOM 56 O ASP A 23 -2.032 -18.800 8.310 1.00 17.22 O ATOM 57 CB ASP A 23 0.385 -20.833 8.874 1.00 21.72 C ATOM 58 CG ASP A 23 1.371 -21.503 9.822 1.00 25.65 C ATOM 59 OD1 ASP A 23 2.313 -20.828 10.289 1.00 33.08 O ATOM 60 OD2 ASP A 23 1.203 -22.709 10.097 1.00 36.69 O ATOM 61 H ASP A 23 -0.873 -20.059 11.008 1.00 0.00 H ATOM 62 N GLU A 24 -0.215 -18.198 7.127 1.00 18.77 N ATOM 63 CA GLU A 24 -1.023 -17.685 6.030 1.00 21.04 C ATOM 64 C GLU A 24 -1.890 -18.807 5.470 1.00 23.35 C ATOM 65 O GLU A 24 -1.401 -19.899 5.175 1.00 22.50 O ATOM 66 CB GLU A 24 -0.119 -17.092 4.945 1.00 28.22 C ATOM 67 CG GLU A 24 -0.777 -16.012 4.102 1.00 32.53 C ATOM 68 CD GLU A 24 0.092 -15.554 2.939 1.00 33.51 C ATOM 69 OE1 GLU A 24 -0.416 -14.791 2.092 1.00 41.36 O ATOM 70 OE2 GLU A 24 1.279 -15.949 2.874 1.00 37.86 O ATOM 71 H GLU A 24 0.822 -18.128 7.087 1.00 0.00 H ATOM 72 N GLY A 25 -3.195 -18.564 5.385 1.00 26.53 N ATOM 73 CA GLY A 25 -4.110 -19.566 4.878 1.00 22.39 C ATOM 74 C GLY A 25 -4.516 -20.649 5.856 1.00 20.55 C ATOM 75 O GLY A 25 -5.230 -21.577 5.454 1.00 19.12 O ATOM 76 H GLY A 25 -3.564 -17.640 5.687 1.00 0.00 H ATOM 77 N GLU A 26 -4.097 -20.562 7.125 1.00 17.18 N ATOM 78 CA GLU A 26 -4.382 -21.627 8.086 1.00 15.77 C ATOM 79 C GLU A 26 -5.849 -21.654 8.502 1.00 14.08 C ATOM 80 O GLU A 26 -6.368 -22.714 8.869 1.00 14.21 O ATOM 81 CB GLU A 26 -3.493 -21.470 9.324 1.00 14.92 C ATOM 82 CG GLU A 26 -3.533 -22.656 10.290 1.00 14.42 C ATOM 83 CD GLU A 26 -2.545 -22.504 11.450 1.00 20.35 C ATOM 84 OE1 GLU A 26 -2.063 -21.377 11.700 1.00 17.69 O ATOM 85 OE2 GLU A 26 -2.238 -23.516 12.111 1.00 24.54 O ATOM 86 H GLU A 26 -3.561 -19.725 7.432 1.00 0.00 H ATOM 87 N TRP A 27 -6.531 -20.516 8.464 1.00 14.48 N ATOM 88 CA TRP A 27 -7.925 -20.413 8.893 1.00 15.54 C ATOM 89 C TRP A 27 -8.702 -19.704 7.798 1.00 13.24 C ATOM 90 O TRP A 27 -9.109 -18.546 7.960 1.00 10.28 O ATOM 91 CB TRP A 27 -8.029 -19.668 10.224 1.00 11.11 C ATOM 92 CG TRP A 27 -7.018 -20.146 11.214 1.00 13.85 C ATOM 93 CD1 TRP A 27 -5.781 -19.619 11.435 1.00 12.37 C ATOM 94 CD2 TRP A 27 -7.141 -21.272 12.097 1.00 14.07 C ATOM 95 NE1 TRP A 27 -5.127 -20.342 12.406 1.00 14.61 N ATOM 96 CE2 TRP A 27 -5.946 -21.353 12.837 1.00 14.63 C ATOM 97 CE3 TRP A 27 -8.153 -22.208 12.342 1.00 13.49 C ATOM 98 CZ2 TRP A 27 -5.726 -22.341 13.799 1.00 14.27 C ATOM 99 CZ3 TRP A 27 -7.935 -23.186 13.305 1.00 18.12 C ATOM 100 CH2 TRP A 27 -6.733 -23.240 14.022 1.00 16.24 C ATOM 101 HE1 TRP A 27 -4.166 -20.152 12.756 1.00 0.00 H ATOM 102 H TRP A 27 -6.053 -19.661 8.114 1.00 0.00 H ATOM 103 N PRO A 28 -8.904 -20.368 6.654 1.00 11.51 N ATOM 104 CA PRO A 28 -9.453 -19.679 5.475 1.00 11.65 C ATOM 105 C PRO A 28 -10.926 -19.309 5.584 1.00 10.90 C ATOM 106 O PRO A 28 -11.455 -18.698 4.646 1.00 9.94 O ATOM 107 CB PRO A 28 -9.223 -20.690 4.345 1.00 10.76 C ATOM 108 CG PRO A 28 -9.211 -22.032 5.053 1.00 14.33 C ATOM 109 CD PRO A 28 -8.524 -21.766 6.358 1.00 11.21 C ATOM 110 N TRP A 29 -11.594 -19.656 6.684 1.00 9.73 N ATOM 111 CA TRP A 29 -12.960 -19.237 6.976 1.00 8.86 C ATOM 112 C TRP A 29 -13.028 -17.968 7.830 1.00 9.99 C ATOM 113 O TRP A 29 -14.122 -17.419 8.006 1.00 10.51 O ATOM 114 CB TRP A 29 -13.708 -20.381 7.689 1.00 9.46 C ATOM 115 CG TRP A 29 -12.843 -21.130 8.679 1.00 9.94 C ATOM 116 CD1 TRP A 29 -12.607 -20.795 9.988 1.00 11.19 C ATOM 117 CD2 TRP A 29 -12.076 -22.320 8.428 1.00 9.93 C ATOM 118 NE1 TRP A 29 -11.755 -21.707 10.562 1.00 10.55 N ATOM 119 CE2 TRP A 29 -11.411 -22.651 9.627 1.00 11.72 C ATOM 120 CE3 TRP A 29 -11.901 -23.146 7.308 1.00 14.45 C ATOM 121 CZ2 TRP A 29 -10.571 -23.773 9.740 1.00 13.21 C ATOM 122 CZ3 TRP A 29 -11.071 -24.263 7.419 1.00 11.96 C ATOM 123 CH2 TRP A 29 -10.411 -24.561 8.626 1.00 13.76 C ATOM 124 HE1 TRP A 29 -11.424 -21.686 11.548 1.00 0.00 H ATOM 125 H TRP A 29 -11.111 -20.263 7.377 1.00 0.00 H ATOM 126 N GLN A 30 -11.900 -17.499 8.375 1.00 8.10 N ATOM 127 CA GLN A 30 -11.891 -16.311 9.221 1.00 10.54 C ATOM 128 C GLN A 30 -12.057 -15.058 8.365 1.00 12.68 C ATOM 129 O GLN A 30 -11.367 -14.886 7.355 1.00 13.12 O ATOM 130 CB GLN A 30 -10.595 -16.228 10.038 1.00 8.77 C ATOM 131 CG GLN A 30 -10.441 -14.929 10.841 1.00 12.16 C ATOM 132 CD GLN A 30 -11.223 -14.926 12.150 1.00 10.90 C ATOM 133 OE1 GLN A 30 -11.110 -15.844 12.963 1.00 12.87 O ATOM 134 NE2 GLN A 30 -12.028 -13.892 12.350 1.00 13.69 N ATOM 135 HE22 GLN A 30 -12.093 -13.138 11.637 1.00 0.00 H ATOM 136 HE21 GLN A 30 -12.594 -13.835 13.220 1.00 0.00 H ATOM 137 H GLN A 30 -11.005 -17.995 8.190 1.00 0.00 H ATOM 138 N VAL A 31 -12.975 -14.185 8.771 1.00 9.55 N ATOM 139 CA VAL A 31 -13.306 -12.973 8.033 1.00 8.47 C ATOM 140 C VAL A 31 -13.126 -11.783 8.967 1.00 11.40 C ATOM 141 O VAL A 31 -13.340 -11.894 10.178 1.00 10.04 O ATOM 142 CB VAL A 31 -14.752 -13.034 7.476 1.00 9.46 C ATOM 143 CG1 VAL A 31 -15.083 -11.772 6.695 1.00 12.45 C ATOM 144 CG2 VAL A 31 -14.935 -14.273 6.599 1.00 10.45 C ATOM 145 H VAL A 31 -13.481 -14.377 9.659 1.00 0.00 H ATOM 146 N SER A 32 -12.714 -10.646 8.399 1.00 11.51 N ATOM 147 CA SER A 32 -12.593 -9.376 9.118 1.00 12.77 C ATOM 148 C SER A 32 -13.652 -8.400 8.619 1.00 10.66 C ATOM 149 O SER A 32 -13.768 -8.180 7.409 1.00 8.99 O ATOM 150 CB SER A 32 -11.202 -8.775 8.932 1.00 8.97 C ATOM 151 OG SER A 32 -11.125 -7.453 9.450 1.00 10.34 O ATOM 152 HG SER A 32 -11.332 -7.467 10.418 1.00 0.00 H ATOM 153 H SER A 32 -12.465 -10.664 7.389 1.00 0.00 H ATOM 154 N LEU A 33 -14.422 -7.823 9.545 1.00 8.49 N ATOM 155 CA LEU A 33 -15.502 -6.890 9.226 1.00 10.37 C ATOM 156 C LEU A 33 -15.086 -5.478 9.618 1.00 10.54 C ATOM 157 O LEU A 33 -14.864 -5.195 10.805 1.00 8.36 O ATOM 158 CB LEU A 33 -16.808 -7.264 9.936 1.00 11.61 C ATOM 159 CG LEU A 33 -17.762 -8.213 9.201 1.00 13.26 C ATOM 160 CD1 LEU A 33 -18.372 -7.540 7.969 1.00 13.63 C ATOM 161 CD2 LEU A 33 -17.019 -9.466 8.799 1.00 14.24 C ATOM 162 H LEU A 33 -14.244 -8.049 10.545 1.00 0.00 H ATOM 163 N HIS A 34 -14.985 -4.603 8.618 1.00 11.13 N ATOM 164 CA HIS A 34 -14.619 -3.204 8.786 1.00 10.44 C ATOM 165 C HIS A 34 -15.847 -2.336 8.594 1.00 11.46 C ATOM 166 O HIS A 34 -16.583 -2.513 7.624 1.00 13.21 O ATOM 167 CB HIS A 34 -13.579 -2.760 7.753 1.00 11.69 C ATOM 168 CG HIS A 34 -12.219 -3.345 7.960 1.00 14.97 C ATOM 169 ND1 HIS A 34 -11.066 -2.631 7.714 1.00 13.01 N ATOM 170 CD2 HIS A 34 -11.824 -4.572 8.377 1.00 11.42 C ATOM 171 CE1 HIS A 34 -10.018 -3.392 7.979 1.00 19.26 C ATOM 172 NE2 HIS A 34 -10.450 -4.575 8.382 1.00 12.71 N ATOM 173 H HIS A 34 -15.180 -4.942 7.654 1.00 0.00 H ATOM 174 N ALA A 35 -16.026 -1.368 9.488 1.00 13.11 N ATOM 175 CA ALA A 35 -17.058 -0.351 9.362 1.00 14.12 C ATOM 176 C ALA A 35 -16.472 0.902 8.710 1.00 17.44 C ATOM 177 O ALA A 35 -15.338 1.291 9.008 1.00 14.75 O ATOM 178 CB ALA A 35 -17.638 -0.013 10.734 1.00 13.09 C ATOM 179 H ALA A 35 -15.398 -1.337 10.317 1.00 0.00 H ATOM 180 N LEU A 36 -17.251 1.531 7.820 1.00 16.02 N ATOM 181 CA LEU A 36 -16.804 2.702 7.067 1.00 20.81 C ATOM 182 C LEU A 36 -16.060 3.683 7.954 1.00 18.55 C ATOM 183 O LEU A 36 -16.615 4.194 8.928 1.00 18.83 O ATOM 184 CB LEU A 36 -18.002 3.414 6.428 1.00 19.89 C ATOM 185 CG LEU A 36 -18.734 2.717 5.293 1.00 24.24 C ATOM 186 CD1 LEU A 36 -19.903 3.581 4.787 1.00 26.73 C ATOM 187 CD2 LEU A 36 -17.735 2.408 4.186 1.00 31.09 C ATOM 188 H LEU A 36 -18.213 1.172 7.658 1.00 0.00 H ATOM 189 N GLY A 37 -14.798 3.938 7.618 1.00 18.72 N ATOM 190 CA GLY A 37 -13.997 4.926 8.310 1.00 20.54 C ATOM 191 C GLY A 37 -13.460 4.514 9.660 1.00 25.70 C ATOM 192 O GLY A 37 -12.837 5.340 10.335 1.00 26.18 O ATOM 193 H GLY A 37 -14.372 3.409 6.831 1.00 0.00 H ATOM 194 N GLN A 38 -13.666 3.268 10.077 1.00 16.33 N ATOM 195 CA GLN A 38 -13.295 2.833 11.414 1.00 17.04 C ATOM 196 C GLN A 38 -12.340 1.647 11.454 1.00 19.95 C ATOM 197 O GLN A 38 -11.863 1.309 12.541 1.00 21.20 O ATOM 198 CB GLN A 38 -14.543 2.456 12.220 1.00 16.38 C ATOM 199 CG GLN A 38 -15.507 3.578 12.462 1.00 21.42 C ATOM 200 CD GLN A 38 -16.730 3.100 13.193 1.00 23.96 C ATOM 201 OE1 GLN A 38 -16.633 2.387 14.194 1.00 29.05 O ATOM 202 NE2 GLN A 38 -17.896 3.468 12.689 1.00 32.12 N ATOM 203 HE22 GLN A 38 -17.930 4.071 11.842 1.00 0.00 H ATOM 204 HE21 GLN A 38 -18.779 3.155 13.139 1.00 0.00 H ATOM 205 H GLN A 38 -14.105 2.585 9.428 1.00 0.00 H ATOM 206 N GLY A 39 -12.065 0.997 10.323 1.00 15.08 N ATOM 207 CA GLY A 39 -11.227 -0.185 10.352 1.00 14.91 C ATOM 208 C GLY A 39 -11.957 -1.393 10.936 1.00 12.94 C ATOM 209 O GLY A 39 -13.185 -1.422 11.077 1.00 11.99 O ATOM 210 H GLY A 39 -12.452 1.338 9.420 1.00 0.00 H ATOM 211 N HIS A 40 -11.159 -2.395 11.297 1.00 11.84 N ATOM 212 CA HIS A 40 -11.690 -3.661 11.792 1.00 13.79 C ATOM 213 C HIS A 40 -12.473 -3.457 13.086 1.00 11.55 C ATOM 214 O HIS A 40 -11.963 -2.876 14.050 1.00 13.85 O ATOM 215 CB HIS A 40 -10.543 -4.647 12.022 1.00 12.82 C ATOM 216 CG HIS A 40 -10.954 -5.886 12.756 1.00 12.18 C ATOM 217 ND1 HIS A 40 -11.333 -7.043 12.110 1.00 10.63 N ATOM 218 CD2 HIS A 40 -11.074 -6.138 14.079 1.00 11.76 C ATOM 219 CE1 HIS A 40 -11.650 -7.960 13.009 1.00 12.50 C ATOM 220 NE2 HIS A 40 -11.506 -7.434 14.210 1.00 12.38 N ATOM 221 H HIS A 40 -10.129 -2.272 11.224 1.00 0.00 H ATOM 222 N ILE A 41 -13.716 -3.933 13.103 1.00 11.00 N ATOM 223 CA ILE A 41 -14.550 -3.941 14.300 1.00 11.83 C ATOM 224 C ILE A 41 -14.768 -5.360 14.819 1.00 12.90 C ATOM 225 O ILE A 41 -14.621 -5.621 16.015 1.00 11.10 O ATOM 226 CB ILE A 41 -15.908 -3.247 14.053 1.00 13.10 C ATOM 227 CG1 ILE A 41 -15.722 -1.827 13.505 1.00 16.16 C ATOM 228 CG2 ILE A 41 -16.698 -3.218 15.362 1.00 15.64 C ATOM 229 CD1 ILE A 41 -14.975 -0.912 14.453 1.00 18.07 C ATOM 230 H ILE A 41 -14.111 -4.317 12.221 1.00 0.00 H ATOM 231 N CYS A 42 -15.152 -6.285 13.939 1.00 9.66 N ATOM 232 CA CYS A 42 -15.548 -7.610 14.391 1.00 10.15 C ATOM 233 C CYS A 42 -15.056 -8.661 13.413 1.00 13.11 C ATOM 234 O CYS A 42 -14.755 -8.373 12.247 1.00 11.55 O ATOM 235 CB CYS A 42 -17.065 -7.717 14.571 1.00 14.01 C ATOM 236 SG CYS A 42 -17.635 -6.934 16.119 1.00 13.42 S ATOM 237 H CYS A 42 -15.169 -6.058 12.924 1.00 0.00 H ATOM 238 N GLY A 43 -14.963 -9.902 13.924 1.00 13.36 N ATOM 239 CA GLY A 43 -14.740 -11.057 13.081 1.00 9.56 C ATOM 240 C GLY A 43 -16.045 -11.696 12.597 1.00 9.63 C ATOM 241 O GLY A 43 -17.151 -11.332 13.021 1.00 9.25 O ATOM 242 H GLY A 43 -15.054 -10.035 14.951 1.00 0.00 H ATOM 243 N ALA A 44 -15.887 -12.665 11.696 1.00 9.14 N ATOM 244 CA ALA A 44 -16.989 -13.463 11.168 1.00 8.37 C ATOM 245 C ALA A 44 -16.407 -14.760 10.621 1.00 7.92 C ATOM 246 O ALA A 44 -15.186 -14.927 10.555 1.00 7.66 O ATOM 247 CB ALA A 44 -17.766 -12.700 10.089 1.00 8.36 C ATOM 248 H ALA A 44 -14.926 -12.863 11.350 1.00 0.00 H ATOM 249 N SER A 45 -17.298 -15.676 10.206 1.00 9.10 N ATOM 250 CA SER A 45 -16.892 -16.943 9.596 1.00 7.99 C ATOM 251 C SER A 45 -17.643 -17.172 8.289 1.00 6.86 C ATOM 252 O SER A 45 -18.852 -16.945 8.209 1.00 11.60 O ATOM 253 CB SER A 45 -17.136 -18.134 10.540 1.00 7.33 C ATOM 254 OG SER A 45 -18.517 -18.244 10.881 1.00 7.73 O ATOM 255 HG SER A 45 -18.646 -19.016 11.487 1.00 0.00 H ATOM 256 H SER A 45 -18.312 -15.478 10.322 1.00 0.00 H ATOM 257 N LEU A 46 -16.925 -17.626 7.267 1.00 8.02 N ATOM 258 CA LEU A 46 -17.540 -18.014 6.000 1.00 8.83 C ATOM 259 C LEU A 46 -18.197 -19.394 6.130 1.00 8.38 C ATOM 260 O LEU A 46 -17.524 -20.365 6.489 1.00 10.40 O ATOM 261 CB LEU A 46 -16.465 -18.019 4.908 1.00 9.10 C ATOM 262 CG LEU A 46 -16.933 -18.332 3.492 1.00 10.75 C ATOM 263 CD1 LEU A 46 -17.831 -17.222 2.982 1.00 10.70 C ATOM 264 CD2 LEU A 46 -15.735 -18.548 2.562 1.00 12.39 C ATOM 265 H LEU A 46 -15.894 -17.708 7.372 1.00 0.00 H ATOM 266 N ILE A 47 -19.494 -19.502 5.824 1.00 9.27 N ATOM 267 CA ILE A 47 -20.191 -20.789 5.885 1.00 10.42 C ATOM 268 C ILE A 47 -20.712 -21.261 4.535 1.00 12.42 C ATOM 269 O ILE A 47 -21.087 -22.439 4.411 1.00 12.76 O ATOM 270 CB ILE A 47 -21.342 -20.774 6.916 1.00 10.19 C ATOM 271 CG1 ILE A 47 -22.418 -19.750 6.538 1.00 11.60 C ATOM 272 CG2 ILE A 47 -20.788 -20.489 8.318 1.00 10.16 C ATOM 273 CD1 ILE A 47 -23.732 -19.928 7.308 1.00 10.39 C ATOM 274 H ILE A 47 -20.020 -18.653 5.536 1.00 0.00 H ATOM 275 N SER A 48 -20.742 -20.408 3.526 1.00 13.33 N ATOM 276 CA SER A 48 -21.187 -20.765 2.183 1.00 16.25 C ATOM 277 C SER A 48 -20.696 -19.683 1.232 1.00 14.41 C ATOM 278 O SER A 48 -20.082 -18.710 1.684 1.00 13.77 O ATOM 279 CB SER A 48 -22.712 -20.891 2.121 1.00 13.15 C ATOM 280 OG SER A 48 -23.329 -19.618 1.986 1.00 14.61 O ATOM 281 HG SER A 48 -24.312 -19.731 1.949 1.00 0.00 H ATOM 282 H SER A 48 -20.432 -19.430 3.698 1.00 0.00 H ATOM 283 N PRO A 49 -20.944 -19.798 -0.076 1.00 12.21 N ATOM 284 CA PRO A 49 -20.480 -18.738 -0.983 1.00 16.33 C ATOM 285 C PRO A 49 -21.066 -17.372 -0.668 1.00 12.40 C ATOM 286 O PRO A 49 -20.424 -16.353 -0.957 1.00 14.29 O ATOM 287 CB PRO A 49 -20.924 -19.246 -2.361 1.00 16.20 C ATOM 288 CG PRO A 49 -20.967 -20.750 -2.196 1.00 16.51 C ATOM 289 CD PRO A 49 -21.487 -20.958 -0.810 1.00 15.01 C ATOM 290 N ASN A 50 -22.259 -17.319 -0.075 1.00 11.76 N ATOM 291 CA ASN A 50 -23.002 -16.075 0.081 1.00 12.47 C ATOM 292 C ASN A 50 -23.191 -15.631 1.527 1.00 13.10 C ATOM 293 O ASN A 50 -23.750 -14.549 1.754 1.00 11.44 O ATOM 294 CB ASN A 50 -24.375 -16.216 -0.588 1.00 10.66 C ATOM 295 CG ASN A 50 -24.261 -16.435 -2.086 1.00 18.24 C ATOM 296 OD1 ASN A 50 -23.949 -15.510 -2.832 1.00 20.54 O ATOM 297 ND2 ASN A 50 -24.484 -17.666 -2.526 1.00 20.73 N ATOM 298 HD22 ASN A 50 -24.746 -18.418 -1.857 1.00 0.00 H ATOM 299 HD21 ASN A 50 -24.397 -17.880 -3.540 1.00 0.00 H ATOM 300 H ASN A 50 -22.675 -18.199 0.290 1.00 0.00 H ATOM 301 N TRP A 51 -22.749 -16.418 2.512 1.00 10.99 N ATOM 302 CA TRP A 51 -23.215 -16.209 3.881 1.00 11.05 C ATOM 303 C TRP A 51 -22.077 -16.291 4.890 1.00 11.15 C ATOM 304 O TRP A 51 -21.169 -17.116 4.754 1.00 9.65 O ATOM 305 CB TRP A 51 -24.319 -17.225 4.248 1.00 11.24 C ATOM 306 CG TRP A 51 -25.653 -16.894 3.607 1.00 11.66 C ATOM 307 CD1 TRP A 51 -26.177 -17.443 2.469 1.00 13.06 C ATOM 308 CD2 TRP A 51 -26.594 -15.904 4.042 1.00 11.86 C ATOM 309 NE1 TRP A 51 -27.395 -16.873 2.182 1.00 11.86 N ATOM 310 CE2 TRP A 51 -27.678 -15.930 3.135 1.00 16.41 C ATOM 311 CE3 TRP A 51 -26.637 -15.011 5.121 1.00 13.72 C ATOM 312 CZ2 TRP A 51 -28.789 -15.097 3.274 1.00 15.41 C ATOM 313 CZ3 TRP A 51 -27.743 -14.185 5.258 1.00 13.76 C ATOM 314 CH2 TRP A 51 -28.804 -14.236 4.338 1.00 14.05 C ATOM 315 HE1 TRP A 51 -28.002 -17.118 1.374 1.00 0.00 H ATOM 316 H TRP A 51 -22.073 -17.180 2.304 1.00 0.00 H ATOM 317 N LEU A 52 -22.148 -15.415 5.899 1.00 9.62 N ATOM 318 CA LEU A 52 -21.251 -15.398 7.046 1.00 9.79 C ATOM 319 C LEU A 52 -22.053 -15.519 8.335 1.00 8.69 C ATOM 320 O LEU A 52 -23.213 -15.104 8.397 1.00 8.95 O ATOM 321 CB LEU A 52 -20.437 -14.086 7.120 1.00 6.60 C ATOM 322 CG LEU A 52 -19.838 -13.515 5.833 1.00 11.47 C ATOM 323 CD1 LEU A 52 -19.249 -12.096 6.092 1.00 9.98 C ATOM 324 CD2 LEU A 52 -18.767 -14.449 5.282 1.00 7.78 C ATOM 325 H LEU A 52 -22.897 -14.695 5.861 1.00 0.00 H ATOM 326 N VAL A 53 -21.405 -16.059 9.374 1.00 9.69 N ATOM 327 CA VAL A 53 -21.907 -16.049 10.748 1.00 7.90 C ATOM 328 C VAL A 53 -21.075 -15.065 11.568 1.00 7.12 C ATOM 329 O VAL A 53 -19.853 -15.011 11.430 1.00 6.88 O ATOM 330 CB VAL A 53 -21.856 -17.454 11.380 1.00 9.57 C ATOM 331 CG1 VAL A 53 -22.183 -17.391 12.891 1.00 8.80 C ATOM 332 CG2 VAL A 53 -22.821 -18.393 10.660 1.00 8.80 C ATOM 333 H VAL A 53 -20.487 -16.514 9.193 1.00 0.00 H ATOM 334 N SER A 54 -21.732 -14.304 12.434 1.00 8.91 N ATOM 335 CA SER A 54 -21.035 -13.328 13.272 1.00 7.55 C ATOM 336 C SER A 54 -21.841 -13.156 14.560 1.00 9.52 C ATOM 337 O SER A 54 -22.704 -13.984 14.881 1.00 9.23 O ATOM 338 CB SER A 54 -20.827 -12.013 12.490 1.00 9.88 C ATOM 339 OG SER A 54 -19.934 -11.129 13.160 1.00 10.92 O ATOM 340 HG SER A 54 -19.053 -11.569 13.266 1.00 0.00 H ATOM 341 H SER A 54 -22.764 -14.403 12.519 1.00 0.00 H ATOM 342 N ALA A 55 -21.560 -12.085 15.308 1.00 9.55 N ATOM 343 CA ALA A 55 -22.222 -11.805 16.578 1.00 8.59 C ATOM 344 C ALA A 55 -23.206 -10.663 16.391 1.00 9.49 C ATOM 345 O ALA A 55 -22.884 -9.658 15.749 1.00 9.69 O ATOM 346 CB ALA A 55 -21.214 -11.438 17.675 1.00 9.31 C ATOM 347 H ALA A 55 -20.836 -11.420 14.969 1.00 0.00 H ATOM 348 N ALA A 56 -24.407 -10.809 16.958 1.00 8.87 N ATOM 349 CA ALA A 56 -25.412 -9.761 16.789 1.00 9.32 C ATOM 350 C ALA A 56 -24.989 -8.448 17.438 1.00 10.74 C ATOM 351 O ALA A 56 -25.377 -7.370 16.962 1.00 9.12 O ATOM 352 CB ALA A 56 -26.760 -10.217 17.359 1.00 8.48 C ATOM 353 H ALA A 56 -24.625 -11.660 17.514 1.00 0.00 H ATOM 354 N HIS A 57 -24.223 -8.502 18.533 1.00 11.63 N ATOM 355 CA HIS A 57 -23.912 -7.258 19.230 1.00 9.16 C ATOM 356 C HIS A 57 -23.008 -6.334 18.424 1.00 10.16 C ATOM 357 O HIS A 57 -22.898 -5.152 18.770 1.00 10.35 O ATOM 358 CB HIS A 57 -23.300 -7.546 20.620 1.00 12.28 C ATOM 359 CG HIS A 57 -21.850 -7.931 20.597 1.00 11.42 C ATOM 360 ND1 HIS A 57 -21.419 -9.237 20.731 1.00 9.00 N ATOM 361 CD2 HIS A 57 -20.730 -7.175 20.492 1.00 13.09 C ATOM 362 CE1 HIS A 57 -20.096 -9.271 20.680 1.00 11.82 C ATOM 363 NE2 HIS A 57 -19.653 -8.032 20.533 1.00 10.97 N ATOM 364 H HIS A 57 -23.857 -9.411 18.880 1.00 0.00 H ATOM 365 N CYS A 58 -22.380 -6.814 17.355 1.00 9.39 N ATOM 366 CA CYS A 58 -21.575 -5.936 16.513 1.00 11.34 C ATOM 367 C CYS A 58 -22.416 -5.030 15.616 1.00 11.60 C ATOM 368 O CYS A 58 -21.865 -4.092 15.036 1.00 13.30 O ATOM 369 CB CYS A 58 -20.627 -6.753 15.620 1.00 10.13 C ATOM 370 SG CYS A 58 -19.431 -7.789 16.499 1.00 15.25 S ATOM 371 H CYS A 58 -22.463 -7.823 17.117 1.00 0.00 H ATOM 372 N TYR A 59 -23.719 -5.291 15.471 1.00 12.56 N ATOM 373 CA TYR A 59 -24.543 -4.645 14.451 1.00 13.02 C ATOM 374 C TYR A 59 -25.705 -3.884 15.087 1.00 11.43 C ATOM 375 O TYR A 59 -26.835 -3.902 14.598 1.00 15.33 O ATOM 376 CB TYR A 59 -25.004 -5.680 13.415 1.00 9.89 C ATOM 377 CG TYR A 59 -23.796 -6.480 12.945 1.00 10.70 C ATOM 378 CD1 TYR A 59 -22.866 -5.919 12.072 1.00 11.99 C ATOM 379 CD2 TYR A 59 -23.545 -7.765 13.441 1.00 10.03 C ATOM 380 CE1 TYR A 59 -21.729 -6.616 11.678 1.00 9.03 C ATOM 381 CE2 TYR A 59 -22.412 -8.478 13.054 1.00 8.43 C ATOM 382 CZ TYR A 59 -21.512 -7.904 12.169 1.00 12.77 C ATOM 383 OH TYR A 59 -20.382 -8.595 11.793 1.00 12.96 O ATOM 384 HH TYR A 59 -19.837 -8.795 12.595 1.00 0.00 H ATOM 385 H TYR A 59 -24.164 -5.981 16.109 1.00 0.00 H ATOM 386 N ILE A 60 -25.414 -3.178 16.177 1.00 12.24 N ATOM 387 CA ILE A 60 -26.391 -2.388 16.928 1.00 12.94 C ATOM 388 C ILE A 60 -26.100 -0.907 16.709 1.00 13.43 C ATOM 389 O ILE A 60 -24.973 -0.455 16.941 1.00 12.92 O ATOM 390 CB ILE A 60 -26.333 -2.703 18.432 1.00 13.21 C ATOM 391 CG1 ILE A 60 -26.647 -4.174 18.712 1.00 15.13 C ATOM 392 CG2 ILE A 60 -27.252 -1.747 19.204 1.00 15.64 C ATOM 393 CD1 ILE A 60 -26.409 -4.567 20.149 1.00 18.72 C ATOM 394 H ILE A 60 -24.431 -3.188 16.516 1.00 0.00 H ATOM 395 N ASP A 60A -27.115 -0.147 16.294 1.00 15.67 N ATOM 396 CA ASP A 60A -26.944 1.296 16.109 1.00 14.20 C ATOM 397 C ASP A 60A -26.540 1.980 17.412 1.00 14.60 C ATOM 398 O ASP A 60A -26.994 1.600 18.493 1.00 15.60 O ATOM 399 CB ASP A 60A -28.245 1.932 15.615 1.00 18.94 C ATOM 400 CG ASP A 60A -28.592 1.564 14.185 1.00 22.37 C ATOM 401 OD1 ASP A 60A -27.803 0.874 13.509 1.00 20.11 O ATOM 402 OD2 ASP A 60A -29.680 1.985 13.739 1.00 21.27 O ATOM 403 H ASP A 60A -28.038 -0.584 16.100 1.00 0.00 H ATOM 404 N ASP A 60B -25.694 3.010 17.310 1.00 15.04 N ATOM 405 CA ASP A 60B -25.550 3.968 18.404 1.00 15.37 C ATOM 406 C ASP A 60B -25.713 5.378 17.844 1.00 16.39 C ATOM 407 O ASP A 60B -25.856 5.577 16.633 1.00 15.45 O ATOM 408 CB ASP A 60B -24.230 3.776 19.180 1.00 14.97 C ATOM 409 CG ASP A 60B -22.984 4.165 18.389 1.00 20.78 C ATOM 410 OD1 ASP A 60B -23.046 5.048 17.508 1.00 20.26 O ATOM 411 OD2 ASP A 60B -21.910 3.584 18.673 1.00 24.36 O ATOM 412 H ASP A 60B -25.132 3.131 16.443 1.00 0.00 H ATOM 413 N ARG A 60C -25.712 6.370 18.741 1.00 13.55 N ATOM 414 CA ARG A 60C -26.002 7.742 18.330 1.00 14.77 C ATOM 415 C ARG A 60C -25.000 8.279 17.317 1.00 15.88 C ATOM 416 O ARG A 60C -25.281 9.287 16.657 1.00 15.43 O ATOM 417 CB ARG A 60C -26.033 8.669 19.548 1.00 11.54 C ATOM 418 H ARG A 60C -25.503 6.163 19.739 1.00 0.00 H ATOM 419 N GLY A 60D -23.844 7.637 17.175 1.00 15.60 N ATOM 420 CA GLY A 60D -22.846 8.119 16.247 1.00 14.59 C ATOM 421 C GLY A 60D -22.741 7.367 14.935 1.00 17.27 C ATOM 422 O GLY A 60D -22.155 7.889 13.983 1.00 16.80 O ATOM 423 H GLY A 60D -23.657 6.782 17.736 1.00 0.00 H ATOM 424 N PHE A 60E -23.312 6.165 14.844 1.00 14.42 N ATOM 425 CA PHE A 60E -23.053 5.325 13.681 1.00 15.61 C ATOM 426 C PHE A 60E -24.099 4.217 13.587 1.00 12.00 C ATOM 427 O PHE A 60E -24.447 3.597 14.591 1.00 12.67 O ATOM 428 CB PHE A 60E -21.640 4.735 13.766 1.00 16.25 C ATOM 429 CG PHE A 60E -21.129 4.194 12.467 1.00 17.65 C ATOM 430 CD1 PHE A 60E -21.450 2.908 12.065 1.00 16.34 C ATOM 431 CD2 PHE A 60E -20.310 4.966 11.662 1.00 17.36 C ATOM 432 CE1 PHE A 60E -20.978 2.400 10.859 1.00 18.30 C ATOM 433 CE2 PHE A 60E -19.818 4.459 10.458 1.00 22.57 C ATOM 434 CZ PHE A 60E -20.155 3.181 10.059 1.00 18.95 C ATOM 435 H PHE A 60E -23.940 5.828 15.601 1.00 0.00 H ATOM 436 N ARG A 60F -24.596 3.973 12.374 1.00 12.79 N ATOM 437 CA ARG A 60F -25.670 3.000 12.163 1.00 15.09 C ATOM 438 C ARG A 60F -25.063 1.637 11.842 1.00 14.86 C ATOM 439 O ARG A 60F -25.043 1.178 10.695 1.00 13.91 O ATOM 440 CB ARG A 60F -26.611 3.469 11.059 1.00 19.13 C ATOM 441 CG ARG A 60F -27.903 2.657 10.963 1.00 26.84 C ATOM 442 CD ARG A 60F -28.965 3.350 10.102 1.00 32.27 C ATOM 443 NE ARG A 60F -28.423 3.752 8.810 1.00 33.20 N ATOM 444 CZ ARG A 60F -29.162 4.086 7.757 1.00 51.71 C ATOM 445 NH1 ARG A 60F -30.490 4.060 7.834 1.00 52.19 N ATOM 446 NH2 ARG A 60F -28.570 4.443 6.621 1.00 50.08 N ATOM 447 HE ARG A 60F -27.389 3.779 8.705 1.00 0.00 H ATOM 448 HH12 ARG A 60F -31.064 4.322 7.007 1.00 0.00 H ATOM 449 HH11 ARG A 60F -30.954 3.777 8.721 1.00 0.00 H ATOM 450 HH22 ARG A 60F -29.145 4.705 5.795 1.00 0.00 H ATOM 451 HH21 ARG A 60F -27.532 4.460 6.559 1.00 0.00 H ATOM 452 H ARG A 60F -24.211 4.487 11.556 1.00 0.00 H ATOM 453 N TYR A 60G -24.583 0.963 12.893 1.00 13.69 N ATOM 454 CA TYR A 60G -23.941 -0.341 12.711 1.00 13.12 C ATOM 455 C TYR A 60G -24.902 -1.420 12.216 1.00 13.62 C ATOM 456 O TYR A 60G -24.441 -2.467 11.745 1.00 10.93 O ATOM 457 CB TYR A 60G -23.284 -0.799 14.015 1.00 12.13 C ATOM 458 CG TYR A 60G -22.100 0.053 14.415 1.00 15.08 C ATOM 459 CD1 TYR A 60G -20.853 -0.135 13.826 1.00 12.90 C ATOM 460 CD2 TYR A 60G -22.230 1.053 15.372 1.00 15.77 C ATOM 461 CE1 TYR A 60G -19.775 0.636 14.185 1.00 16.76 C ATOM 462 CE2 TYR A 60G -21.153 1.837 15.732 1.00 17.48 C ATOM 463 CZ TYR A 60G -19.931 1.624 15.134 1.00 20.93 C ATOM 464 OH TYR A 60G -18.857 2.390 15.485 1.00 20.41 O ATOM 465 HH TYR A 60G -18.065 2.105 14.963 1.00 0.00 H ATOM 466 H TYR A 60G -24.666 1.368 13.847 1.00 0.00 H ATOM 467 N SER A 60H -26.220 -1.202 12.309 1.00 13.24 N ATOM 468 CA SER A 60H -27.174 -2.192 11.834 1.00 13.42 C ATOM 469 C SER A 60H -27.385 -2.124 10.324 1.00 17.28 C ATOM 470 O SER A 60H -28.103 -2.963 9.770 1.00 16.95 O ATOM 471 CB SER A 60H -28.522 -2.026 12.548 1.00 16.93 C ATOM 472 OG SER A 60H -29.152 -0.820 12.152 1.00 15.72 O ATOM 473 HG SER A 60H -28.570 -0.053 12.383 1.00 0.00 H ATOM 474 H SER A 60H -26.566 -0.314 12.726 1.00 0.00 H ATOM 475 N ASP A 60I -26.760 -1.173 9.652 1.00 15.68 N ATOM 476 CA ASP A 60I -27.014 -0.922 8.238 1.00 18.16 C ATOM 477 C ASP A 60I -25.980 -1.671 7.403 1.00 17.13 C ATOM 478 O ASP A 60I -24.781 -1.387 7.528 1.00 13.98 O ATOM 479 CB ASP A 60I -26.957 0.579 7.965 1.00 18.62 C ATOM 480 CG ASP A 60I -27.109 0.937 6.489 1.00 25.11 C ATOM 481 OD1 ASP A 60I -27.386 0.051 5.663 1.00 20.06 O ATOM 482 OD2 ASP A 60I -26.943 2.133 6.156 1.00 27.69 O ATOM 483 H ASP A 60I -26.063 -0.583 10.149 1.00 0.00 H ATOM 484 N PRO A 61 -26.386 -2.622 6.559 1.00 15.35 N ATOM 485 CA PRO A 61 -25.394 -3.433 5.836 1.00 15.58 C ATOM 486 C PRO A 61 -24.498 -2.629 4.915 1.00 15.07 C ATOM 487 O PRO A 61 -23.368 -3.064 4.650 1.00 14.39 O ATOM 488 CB PRO A 61 -26.257 -4.435 5.050 1.00 13.52 C ATOM 489 CG PRO A 61 -27.587 -3.798 4.935 1.00 20.55 C ATOM 490 CD PRO A 61 -27.767 -2.969 6.188 1.00 19.84 C ATOM 491 N THR A 62 -24.950 -1.467 4.425 1.00 16.42 N ATOM 492 CA THR A 62 -24.116 -0.665 3.531 1.00 16.76 C ATOM 493 C THR A 62 -22.955 0.011 4.245 1.00 16.78 C ATOM 494 O THR A 62 -22.055 0.530 3.575 1.00 17.80 O ATOM 495 CB THR A 62 -24.954 0.401 2.819 1.00 22.24 C ATOM 496 OG1 THR A 62 -25.599 1.245 3.790 1.00 18.37 O ATOM 497 CG2 THR A 62 -25.977 -0.254 1.924 1.00 19.29 C ATOM 498 HG1 THR A 62 -26.189 0.695 4.364 1.00 0.00 H ATOM 499 H THR A 62 -25.901 -1.133 4.682 1.00 0.00 H ATOM 500 N GLN A 63 -22.934 0.005 5.574 1.00 16.21 N ATOM 501 CA GLN A 63 -21.823 0.598 6.311 1.00 18.23 C ATOM 502 C GLN A 63 -20.628 -0.339 6.478 1.00 17.92 C ATOM 503 O GLN A 63 -19.687 0.022 7.190 1.00 17.67 O ATOM 504 CB GLN A 63 -22.302 1.039 7.697 1.00 19.66 C ATOM 505 CG GLN A 63 -23.552 1.903 7.668 1.00 17.82 C ATOM 506 CD GLN A 63 -23.265 3.297 7.144 1.00 24.94 C ATOM 507 OE1 GLN A 63 -22.504 4.054 7.752 1.00 21.19 O ATOM 508 NE2 GLN A 63 -23.856 3.636 6.000 1.00 25.68 N ATOM 509 HE22 GLN A 63 -24.490 2.964 5.523 1.00 0.00 H ATOM 510 HE21 GLN A 63 -23.683 4.573 5.583 1.00 0.00 H ATOM 511 H GLN A 63 -23.721 -0.429 6.097 1.00 0.00 H ATOM 512 N TRP A 64 -20.637 -1.527 5.878 1.00 15.07 N ATOM 513 CA TRP A 64 -19.645 -2.545 6.204 1.00 13.68 C ATOM 514 C TRP A 64 -18.896 -3.009 4.961 1.00 15.02 C ATOM 515 O TRP A 64 -19.383 -2.891 3.837 1.00 14.67 O ATOM 516 CB TRP A 64 -20.308 -3.751 6.890 1.00 11.29 C ATOM 517 CG TRP A 64 -20.824 -3.447 8.289 1.00 10.85 C ATOM 518 CD1 TRP A 64 -22.076 -3.000 8.625 1.00 10.04 C ATOM 519 CD2 TRP A 64 -20.102 -3.578 9.523 1.00 12.38 C ATOM 520 NE1 TRP A 64 -22.172 -2.844 9.983 1.00 10.47 N ATOM 521 CE2 TRP A 64 -20.976 -3.196 10.560 1.00 12.34 C ATOM 522 CE3 TRP A 64 -18.793 -3.971 9.851 1.00 10.18 C ATOM 523 CZ2 TRP A 64 -20.591 -3.204 11.905 1.00 12.28 C ATOM 524 CZ3 TRP A 64 -18.412 -3.983 11.188 1.00 9.84 C ATOM 525 CH2 TRP A 64 -19.307 -3.602 12.196 1.00 12.62 C ATOM 526 HE1 TRP A 64 -23.015 -2.512 10.495 1.00 0.00 H ATOM 527 H TRP A 64 -21.364 -1.733 5.164 1.00 0.00 H ATOM 528 N THR A 65 -17.692 -3.539 5.193 1.00 13.18 N ATOM 529 CA THR A 65 -16.895 -4.239 4.193 1.00 13.41 C ATOM 530 C THR A 65 -16.332 -5.503 4.833 1.00 12.44 C ATOM 531 O THR A 65 -15.805 -5.448 5.946 1.00 13.65 O ATOM 532 CB THR A 65 -15.736 -3.378 3.680 1.00 14.01 C ATOM 533 OG1 THR A 65 -16.241 -2.177 3.087 1.00 18.00 O ATOM 534 CG2 THR A 65 -14.931 -4.142 2.645 1.00 18.09 C ATOM 535 HG1 THR A 65 -16.752 -1.666 3.764 1.00 0.00 H ATOM 536 H THR A 65 -17.297 -3.446 6.151 1.00 0.00 H ATOM 537 N ALA A 66 -16.433 -6.632 4.138 1.00 15.23 N ATOM 538 CA ALA A 66 -15.872 -7.892 4.613 1.00 10.74 C ATOM 539 C ALA A 66 -14.623 -8.239 3.811 1.00 11.91 C ATOM 540 O ALA A 66 -14.645 -8.216 2.576 1.00 12.04 O ATOM 541 CB ALA A 66 -16.899 -9.023 4.516 1.00 14.82 C ATOM 542 H ALA A 66 -16.929 -6.616 3.224 1.00 0.00 H ATOM 543 N PHE A 67 -13.540 -8.565 4.512 1.00 10.58 N ATOM 544 CA PHE A 67 -12.302 -9.022 3.888 1.00 12.17 C ATOM 545 C PHE A 67 -12.145 -10.519 4.142 1.00 14.64 C ATOM 546 O PHE A 67 -12.073 -10.956 5.298 1.00 12.30 O ATOM 547 CB PHE A 67 -11.094 -8.253 4.423 1.00 12.07 C ATOM 548 CG PHE A 67 -11.086 -6.786 4.048 1.00 13.07 C ATOM 549 CD1 PHE A 67 -10.601 -6.373 2.812 1.00 17.33 C ATOM 550 CD2 PHE A 67 -11.548 -5.830 4.931 1.00 14.08 C ATOM 551 CE1 PHE A 67 -10.584 -5.034 2.463 1.00 17.31 C ATOM 552 CE2 PHE A 67 -11.534 -4.473 4.592 1.00 13.84 C ATOM 553 CZ PHE A 67 -11.052 -4.079 3.358 1.00 17.12 C ATOM 554 H PHE A 67 -13.577 -8.491 5.549 1.00 0.00 H ATOM 555 N LEU A 68 -12.110 -11.294 3.066 1.00 10.84 N ATOM 556 CA LEU A 68 -11.908 -12.733 3.124 1.00 11.84 C ATOM 557 C LEU A 68 -10.496 -13.070 2.660 1.00 11.21 C ATOM 558 O LEU A 68 -9.938 -12.400 1.790 1.00 14.01 O ATOM 559 CB LEU A 68 -12.937 -13.455 2.260 1.00 10.81 C ATOM 560 CG LEU A 68 -14.386 -13.144 2.661 1.00 13.00 C ATOM 561 CD1 LEU A 68 -15.048 -12.253 1.640 1.00 18.53 C ATOM 562 CD2 LEU A 68 -15.164 -14.450 2.846 1.00 16.99 C ATOM 563 H LEU A 68 -12.233 -10.850 2.134 1.00 0.00 H ATOM 564 N GLY A 69 -9.911 -14.102 3.262 1.00 11.68 N ATOM 565 CA GLY A 69 -8.538 -14.453 2.929 1.00 12.94 C ATOM 566 C GLY A 69 -7.496 -13.480 3.430 1.00 18.49 C ATOM 567 O GLY A 69 -6.365 -13.479 2.926 1.00 14.04 O ATOM 568 H GLY A 69 -10.434 -14.657 3.969 1.00 0.00 H ATOM 569 N LEU A 70 -7.848 -12.657 4.416 1.00 10.52 N ATOM 570 CA LEU A 70 -6.939 -11.670 4.985 1.00 11.57 C ATOM 571 C LEU A 70 -6.003 -12.304 6.005 1.00 14.34 C ATOM 572 O LEU A 70 -6.403 -13.184 6.771 1.00 15.47 O ATOM 573 CB LEU A 70 -7.748 -10.556 5.660 1.00 13.76 C ATOM 574 CG LEU A 70 -6.974 -9.336 6.173 1.00 14.80 C ATOM 575 CD1 LEU A 70 -6.294 -8.640 5.008 1.00 13.30 C ATOM 576 CD2 LEU A 70 -7.884 -8.358 6.924 1.00 13.01 C ATOM 577 H LEU A 70 -8.814 -12.721 4.797 1.00 0.00 H ATOM 578 N HIS A 71 -4.754 -11.846 6.020 1.00 11.40 N ATOM 579 CA HIS A 71 -3.768 -12.306 6.988 1.00 12.98 C ATOM 580 C HIS A 71 -3.253 -11.179 7.863 1.00 13.04 C ATOM 581 O HIS A 71 -3.230 -11.309 9.093 1.00 11.80 O ATOM 582 CB HIS A 71 -2.591 -12.978 6.262 1.00 17.80 C ATOM 583 CG HIS A 71 -1.560 -13.557 7.182 1.00 17.22 C ATOM 584 ND1 HIS A 71 -1.832 -14.593 8.053 1.00 16.40 N ATOM 585 CD2 HIS A 71 -0.251 -13.253 7.357 1.00 19.63 C ATOM 586 CE1 HIS A 71 -0.737 -14.895 8.731 1.00 17.25 C ATOM 587 NE2 HIS A 71 0.235 -14.096 8.328 1.00 17.90 N ATOM 588 H HIS A 71 -4.472 -11.135 5.316 1.00 0.00 H ATOM 589 N ASP A 72 -2.861 -10.069 7.248 1.00 13.42 N ATOM 590 CA ASP A 72 -2.246 -8.924 7.902 1.00 14.29 C ATOM 591 C ASP A 72 -3.146 -7.713 7.687 1.00 14.21 C ATOM 592 O ASP A 72 -3.415 -7.335 6.541 1.00 17.15 O ATOM 593 CB ASP A 72 -0.851 -8.693 7.310 1.00 17.35 C ATOM 594 CG ASP A 72 -0.106 -7.543 7.959 1.00 21.98 C ATOM 595 OD1 ASP A 72 -0.749 -6.591 8.458 1.00 18.45 O ATOM 596 OD2 ASP A 72 1.146 -7.600 7.961 1.00 23.36 O ATOM 597 H ASP A 72 -3.005 -10.014 6.219 1.00 0.00 H ATOM 598 N GLN A 73 -3.611 -7.101 8.784 1.00 16.12 N ATOM 599 CA GLN A 73 -4.552 -5.988 8.653 1.00 12.99 C ATOM 600 C GLN A 73 -3.962 -4.811 7.882 1.00 16.48 C ATOM 601 O GLN A 73 -4.721 -3.999 7.342 1.00 20.19 O ATOM 602 CB GLN A 73 -5.025 -5.504 10.029 1.00 13.63 C ATOM 603 CG GLN A 73 -6.038 -6.401 10.717 1.00 13.96 C ATOM 604 CD GLN A 73 -7.415 -6.387 10.065 1.00 13.48 C ATOM 605 OE1 GLN A 73 -7.769 -5.475 9.321 1.00 11.88 O ATOM 606 NE2 GLN A 73 -8.205 -7.403 10.361 1.00 12.02 N ATOM 607 HE22 GLN A 73 -7.869 -8.156 10.995 1.00 0.00 H ATOM 608 HE21 GLN A 73 -9.163 -7.450 9.960 1.00 0.00 H ATOM 609 H GLN A 73 -3.304 -7.416 9.726 1.00 0.00 H ATOM 610 N SER A 74 -2.636 -4.699 7.812 1.00 16.68 N ATOM 611 CA SER A 74 -1.999 -3.635 7.052 1.00 16.46 C ATOM 612 C SER A 74 -1.791 -3.991 5.584 1.00 19.68 C ATOM 613 O SER A 74 -1.241 -3.174 4.836 1.00 18.08 O ATOM 614 CB SER A 74 -0.654 -3.267 7.687 1.00 23.18 C ATOM 615 OG SER A 74 0.260 -4.355 7.641 1.00 22.68 O ATOM 616 HG SER A 74 -0.120 -5.125 8.135 1.00 0.00 H ATOM 617 H SER A 74 -2.042 -5.390 8.313 1.00 0.00 H ATOM 618 N GLN A 75 -2.228 -5.179 5.143 1.00 16.05 N ATOM 619 CA GLN A 75 -2.024 -5.646 3.771 1.00 18.37 C ATOM 620 C GLN A 75 -3.358 -6.177 3.228 1.00 18.54 C ATOM 621 O GLN A 75 -3.508 -7.370 2.947 1.00 16.79 O ATOM 622 CB GLN A 75 -0.919 -6.711 3.725 1.00 18.52 C ATOM 623 CG GLN A 75 0.457 -6.208 4.175 1.00 16.78 C ATOM 624 CD GLN A 75 1.049 -5.192 3.210 1.00 27.32 C ATOM 625 OE1 GLN A 75 0.778 -5.231 2.007 1.00 21.88 O ATOM 626 NE2 GLN A 75 1.860 -4.275 3.733 1.00 24.01 N ATOM 627 HE22 GLN A 75 2.061 -4.280 4.753 1.00 0.00 H ATOM 628 HE21 GLN A 75 2.293 -3.554 3.121 1.00 0.00 H ATOM 629 H GLN A 75 -2.736 -5.798 5.807 1.00 0.00 H ATOM 630 N ARG A 76 -4.328 -5.274 3.077 1.00 14.68 N ATOM 631 CA ARG A 76 -5.683 -5.637 2.689 1.00 19.31 C ATOM 632 C ARG A 76 -5.860 -5.772 1.186 1.00 18.77 C ATOM 633 O ARG A 76 -6.955 -6.126 0.746 1.00 21.42 O ATOM 634 CB ARG A 76 -6.679 -4.611 3.240 1.00 17.41 C ATOM 635 CG ARG A 76 -6.665 -4.537 4.759 1.00 19.67 C ATOM 636 CD ARG A 76 -7.869 -3.769 5.307 1.00 20.73 C ATOM 637 NE ARG A 76 -7.766 -2.339 5.043 1.00 24.12 N ATOM 638 CZ ARG A 76 -7.250 -1.460 5.894 1.00 31.44 C ATOM 639 NH1 ARG A 76 -6.787 -1.861 7.076 1.00 29.01 N ATOM 640 NH2 ARG A 76 -7.196 -0.180 5.563 1.00 35.71 N ATOM 641 HE ARG A 76 -8.119 -1.985 4.131 1.00 0.00 H ATOM 642 HH12 ARG A 76 -6.384 -1.168 7.739 1.00 0.00 H ATOM 643 HH11 ARG A 76 -6.828 -2.867 7.337 1.00 0.00 H ATOM 644 HH22 ARG A 76 -6.793 0.512 6.226 1.00 0.00 H ATOM 645 HH21 ARG A 76 -7.557 0.134 4.640 1.00 0.00 H ATOM 646 H ARG A 76 -4.107 -4.271 3.243 1.00 0.00 H ATOM 647 N SER A 77 -4.819 -5.504 0.395 1.00 17.11 N ATOM 648 CA SER A 77 -4.850 -5.686 -1.053 1.00 18.04 C ATOM 649 C SER A 77 -3.942 -6.820 -1.518 1.00 19.18 C ATOM 650 O SER A 77 -3.742 -6.988 -2.724 1.00 18.19 O ATOM 651 CB SER A 77 -4.457 -4.385 -1.765 1.00 16.55 C ATOM 652 OG SER A 77 -5.509 -3.445 -1.694 1.00 30.96 O ATOM 653 HG SER A 77 -5.239 -2.613 -2.158 1.00 0.00 H ATOM 654 H SER A 77 -3.944 -5.149 0.831 1.00 0.00 H ATOM 655 N ALA A 77A -3.396 -7.606 -0.593 1.00 16.57 N ATOM 656 CA ALA A 77A -2.430 -8.623 -0.958 1.00 17.47 C ATOM 657 C ALA A 77A -3.081 -9.673 -1.852 1.00 16.85 C ATOM 658 O ALA A 77A -4.306 -9.812 -1.868 1.00 15.20 O ATOM 659 CB ALA A 77A -1.846 -9.277 0.292 1.00 18.15 C ATOM 660 H ALA A 77A -3.666 -7.489 0.404 1.00 0.00 H ATOM 661 N PRO A 78 -2.278 -10.410 -2.622 1.00 15.25 N ATOM 662 CA PRO A 78 -2.832 -11.504 -3.438 1.00 17.85 C ATOM 663 C PRO A 78 -3.685 -12.452 -2.604 1.00 17.28 C ATOM 664 O PRO A 78 -3.310 -12.841 -1.497 1.00 16.49 O ATOM 665 CB PRO A 78 -1.583 -12.212 -3.981 1.00 16.55 C ATOM 666 CG PRO A 78 -0.509 -11.135 -4.016 1.00 17.77 C ATOM 667 CD PRO A 78 -0.826 -10.224 -2.825 1.00 20.64 C ATOM 668 N GLY A 79 -4.843 -12.836 -3.154 1.00 14.31 N ATOM 669 CA GLY A 79 -5.745 -13.759 -2.492 1.00 16.65 C ATOM 670 C GLY A 79 -6.817 -13.122 -1.623 1.00 17.10 C ATOM 671 O GLY A 79 -7.855 -13.752 -1.390 1.00 16.84 O ATOM 672 H GLY A 79 -5.105 -12.460 -4.088 1.00 0.00 H ATOM 673 N VAL A 80 -6.603 -11.897 -1.140 1.00 14.95 N ATOM 674 CA VAL A 80 -7.607 -11.222 -0.320 1.00 14.44 C ATOM 675 C VAL A 80 -8.796 -10.836 -1.190 1.00 16.59 C ATOM 676 O VAL A 80 -8.627 -10.260 -2.272 1.00 15.30 O ATOM 677 CB VAL A 80 -6.998 -9.987 0.362 1.00 13.09 C ATOM 678 CG1 VAL A 80 -8.037 -9.300 1.230 1.00 12.42 C ATOM 679 CG2 VAL A 80 -5.788 -10.374 1.193 1.00 16.85 C ATOM 680 H VAL A 80 -5.706 -11.414 -1.351 1.00 0.00 H ATOM 681 N GLN A 81 -10.010 -11.141 -0.722 1.00 11.10 N ATOM 682 CA GLN A 81 -11.233 -10.785 -1.432 1.00 11.51 C ATOM 683 C GLN A 81 -12.016 -9.757 -0.621 1.00 17.05 C ATOM 684 O GLN A 81 -12.190 -9.917 0.594 1.00 14.14 O ATOM 685 CB GLN A 81 -12.101 -12.024 -1.702 1.00 15.09 C ATOM 686 CG GLN A 81 -11.521 -12.997 -2.720 1.00 18.71 C ATOM 687 CD GLN A 81 -12.302 -14.288 -2.829 1.00 17.17 C ATOM 688 OE1 GLN A 81 -13.532 -14.286 -2.824 1.00 17.55 O ATOM 689 NE2 GLN A 81 -11.586 -15.412 -2.925 1.00 16.54 N ATOM 690 HE22 GLN A 81 -10.547 -15.368 -2.925 1.00 0.00 H ATOM 691 HE21 GLN A 81 -12.068 -16.331 -2.999 1.00 0.00 H ATOM 692 H GLN A 81 -10.085 -11.651 0.181 1.00 0.00 H ATOM 693 N GLU A 82 -12.481 -8.703 -1.289 1.00 13.80 N ATOM 694 CA GLU A 82 -13.244 -7.641 -0.648 1.00 14.91 C ATOM 695 C GLU A 82 -14.702 -7.758 -1.072 1.00 14.92 C ATOM 696 O GLU A 82 -14.997 -7.946 -2.257 1.00 15.09 O ATOM 697 CB GLU A 82 -12.689 -6.257 -1.008 1.00 21.18 C ATOM 698 CG GLU A 82 -13.362 -5.115 -0.245 1.00 22.44 C ATOM 699 CD GLU A 82 -12.838 -3.722 -0.617 1.00 27.89 C ATOM 700 OE1 GLU A 82 -11.681 -3.599 -1.073 1.00 26.91 O ATOM 701 OE2 GLU A 82 -13.595 -2.746 -0.441 1.00 30.16 O ATOM 702 H GLU A 82 -12.292 -8.636 -2.309 1.00 0.00 H ATOM 703 N ARG A 83 -15.611 -7.680 -0.105 1.00 12.64 N ATOM 704 CA ARG A 83 -17.027 -7.838 -0.400 1.00 12.01 C ATOM 705 C ARG A 83 -17.837 -6.849 0.428 1.00 13.96 C ATOM 706 O ARG A 83 -17.508 -6.582 1.588 1.00 12.96 O ATOM 707 CB ARG A 83 -17.495 -9.281 -0.118 1.00 11.71 C ATOM 708 CG ARG A 83 -16.916 -10.351 -1.052 1.00 14.17 C ATOM 709 CD ARG A 83 -17.370 -10.169 -2.512 1.00 13.75 C ATOM 710 NE ARG A 83 -16.991 -11.306 -3.362 1.00 13.59 N ATOM 711 CZ ARG A 83 -15.799 -11.449 -3.938 1.00 15.56 C ATOM 712 NH1 ARG A 83 -14.858 -10.531 -3.764 1.00 14.56 N ATOM 713 NH2 ARG A 83 -15.543 -12.512 -4.693 1.00 16.48 N ATOM 714 HE ARG A 83 -17.701 -12.048 -3.525 1.00 0.00 H ATOM 715 HH12 ARG A 83 -13.929 -10.647 -4.216 1.00 0.00 H ATOM 716 HH11 ARG A 83 -15.049 -9.695 -3.176 1.00 0.00 H ATOM 717 HH22 ARG A 83 -14.611 -12.619 -5.141 1.00 0.00 H ATOM 718 HH21 ARG A 83 -16.275 -13.237 -4.836 1.00 0.00 H ATOM 719 H ARG A 83 -15.306 -7.504 0.874 1.00 0.00 H ATOM 720 N ARG A 84 -18.897 -6.315 -0.171 1.00 11.55 N ATOM 721 CA ARG A 84 -19.916 -5.590 0.572 1.00 14.95 C ATOM 722 C ARG A 84 -20.967 -6.560 1.113 1.00 13.22 C ATOM 723 O ARG A 84 -21.049 -7.726 0.708 1.00 13.05 O ATOM 724 CB ARG A 84 -20.590 -4.538 -0.311 1.00 16.68 C ATOM 725 CG ARG A 84 -19.643 -3.630 -1.042 1.00 17.38 C ATOM 726 CD ARG A 84 -19.612 -2.237 -0.446 1.00 23.80 C ATOM 727 NE ARG A 84 -18.572 -1.409 -1.061 1.00 22.90 N ATOM 728 CZ ARG A 84 -18.801 -0.393 -1.896 1.00 30.37 C ATOM 729 NH1 ARG A 84 -20.042 -0.046 -2.238 1.00 23.82 N ATOM 730 NH2 ARG A 84 -17.775 0.287 -2.385 1.00 28.47 N ATOM 731 HE ARG A 84 -17.582 -1.629 -0.830 1.00 0.00 H ATOM 732 HH12 ARG A 84 -20.199 0.749 -2.890 1.00 0.00 H ATOM 733 HH11 ARG A 84 -20.853 -0.570 -1.853 1.00 0.00 H ATOM 734 HH22 ARG A 84 -17.940 1.081 -3.036 1.00 0.00 H ATOM 735 HH21 ARG A 84 -16.804 0.027 -2.118 1.00 0.00 H ATOM 736 H ARG A 84 -19.001 -6.419 -1.201 1.00 0.00 H ATOM 737 N LEU A 85 -21.801 -6.055 2.022 1.00 11.09 N ATOM 738 CA LEU A 85 -22.945 -6.797 2.547 1.00 12.45 C ATOM 739 C LEU A 85 -24.239 -6.247 1.963 1.00 17.56 C ATOM 740 O LEU A 85 -24.384 -5.032 1.784 1.00 15.00 O ATOM 741 CB LEU A 85 -23.007 -6.702 4.075 1.00 10.75 C ATOM 742 CG LEU A 85 -21.735 -7.008 4.868 1.00 11.84 C ATOM 743 CD1 LEU A 85 -21.963 -6.753 6.357 1.00 11.51 C ATOM 744 CD2 LEU A 85 -21.304 -8.463 4.642 1.00 9.59 C ATOM 745 H LEU A 85 -21.630 -5.091 2.373 1.00 0.00 H ATOM 746 N LYS A 86 -25.198 -7.131 1.696 1.00 15.21 N ATOM 747 CA LYS A 86 -26.525 -6.672 1.325 1.00 21.90 C ATOM 748 C LYS A 86 -27.564 -6.884 2.413 1.00 17.13 C ATOM 749 O LYS A 86 -28.623 -6.264 2.341 1.00 15.97 O ATOM 750 CB LYS A 86 -27.002 -7.346 0.027 1.00 20.74 C ATOM 751 CG LYS A 86 -27.148 -8.830 0.103 1.00 22.63 C ATOM 752 CD LYS A 86 -27.288 -9.437 -1.289 1.00 28.66 C ATOM 753 CE LYS A 86 -28.652 -9.138 -1.886 1.00 39.03 C ATOM 754 NZ LYS A 86 -28.887 -9.937 -3.132 1.00 46.62 N ATOM 755 HZ1 LYS A 86 -28.158 -9.702 -3.836 1.00 0.00 H ATOM 756 HZ2 LYS A 86 -28.839 -10.951 -2.906 1.00 0.00 H ATOM 757 HZ3 LYS A 86 -29.827 -9.710 -3.516 1.00 0.00 H ATOM 758 H LYS A 86 -24.997 -8.150 1.753 1.00 0.00 H ATOM 759 N ARG A 87 -27.293 -7.709 3.426 1.00 14.16 N ATOM 760 CA ARG A 87 -28.272 -7.895 4.489 1.00 14.71 C ATOM 761 C ARG A 87 -27.577 -8.335 5.774 1.00 15.50 C ATOM 762 O ARG A 87 -26.600 -9.092 5.730 1.00 15.08 O ATOM 763 CB ARG A 87 -29.332 -8.925 4.067 1.00 17.47 C ATOM 764 CG ARG A 87 -30.299 -9.323 5.146 1.00 20.86 C ATOM 765 CD ARG A 87 -31.645 -9.783 4.564 1.00 28.49 C ATOM 766 NE ARG A 87 -31.668 -11.171 4.100 1.00 34.45 N ATOM 767 CZ ARG A 87 -31.697 -11.544 2.819 1.00 35.00 C ATOM 768 NH1 ARG A 87 -31.694 -10.626 1.859 1.00 42.85 N ATOM 769 NH2 ARG A 87 -31.733 -12.836 2.494 1.00 27.15 N ATOM 770 HE ARG A 87 -31.661 -11.921 4.821 1.00 0.00 H ATOM 771 HH12 ARG A 87 -31.717 -10.917 0.861 1.00 0.00 H ATOM 772 HH11 ARG A 87 -31.669 -9.616 2.105 1.00 0.00 H ATOM 773 HH22 ARG A 87 -31.755 -13.120 1.494 1.00 0.00 H ATOM 774 HH21 ARG A 87 -31.739 -13.560 3.241 1.00 0.00 H ATOM 775 H ARG A 87 -26.386 -8.217 3.457 1.00 0.00 H ATOM 776 N ILE A 88 -28.104 -7.877 6.912 1.00 10.16 N ATOM 777 CA ILE A 88 -27.684 -8.330 8.241 1.00 10.62 C ATOM 778 C ILE A 88 -28.921 -8.864 8.954 1.00 14.84 C ATOM 779 O ILE A 88 -29.904 -8.133 9.119 1.00 14.20 O ATOM 780 CB ILE A 88 -27.034 -7.194 9.052 1.00 12.14 C ATOM 781 CG1 ILE A 88 -25.790 -6.659 8.340 1.00 11.50 C ATOM 782 CG2 ILE A 88 -26.697 -7.658 10.481 1.00 13.85 C ATOM 783 CD1 ILE A 88 -25.176 -5.441 9.036 1.00 10.31 C ATOM 784 H ILE A 88 -28.854 -7.159 6.852 1.00 0.00 H ATOM 785 N ILE A 89 -28.882 -10.136 9.363 1.00 13.01 N ATOM 786 CA ILE A 89 -29.979 -10.776 10.090 1.00 12.34 C ATOM 787 C ILE A 89 -29.494 -11.080 11.502 1.00 12.42 C ATOM 788 O ILE A 89 -28.828 -12.097 11.729 1.00 11.38 O ATOM 789 CB ILE A 89 -30.454 -12.061 9.407 1.00 11.75 C ATOM 790 CG1 ILE A 89 -30.875 -11.794 7.962 1.00 15.60 C ATOM 791 CG2 ILE A 89 -31.606 -12.688 10.194 1.00 11.84 C ATOM 792 CD1 ILE A 89 -31.181 -13.076 7.203 1.00 19.83 C ATOM 793 H ILE A 89 -28.032 -10.697 9.155 1.00 0.00 H ATOM 794 N SER A 90 -29.828 -10.220 12.458 1.00 12.74 N ATOM 795 CA SER A 90 -29.600 -10.532 13.863 1.00 11.97 C ATOM 796 C SER A 90 -30.674 -11.492 14.371 1.00 13.06 C ATOM 797 O SER A 90 -31.828 -11.447 13.942 1.00 11.87 O ATOM 798 CB SER A 90 -29.598 -9.254 14.709 1.00 12.47 C ATOM 799 OG SER A 90 -28.418 -8.501 14.478 1.00 22.05 O ATOM 800 HG SER A 90 -28.437 -7.681 15.033 1.00 0.00 H ATOM 801 H SER A 90 -30.259 -9.310 12.199 1.00 0.00 H ATOM 802 N HIS A 91 -30.291 -12.371 15.284 1.00 7.92 N ATOM 803 CA HIS A 91 -31.254 -13.343 15.779 1.00 10.62 C ATOM 804 C HIS A 91 -32.431 -12.622 16.435 1.00 10.11 C ATOM 805 O HIS A 91 -32.221 -11.687 17.213 1.00 10.81 O ATOM 806 CB HIS A 91 -30.623 -14.313 16.772 1.00 10.66 C ATOM 807 CG HIS A 91 -31.451 -15.540 16.976 1.00 10.11 C ATOM 808 ND1 HIS A 91 -32.623 -15.530 17.699 1.00 11.86 N ATOM 809 CD2 HIS A 91 -31.317 -16.796 16.489 1.00 11.37 C ATOM 810 CE1 HIS A 91 -33.163 -16.737 17.673 1.00 12.17 C ATOM 811 NE2 HIS A 91 -32.391 -17.522 16.943 1.00 11.56 N ATOM 812 H HIS A 91 -29.315 -12.367 15.643 1.00 0.00 H ATOM 813 N PRO A 92 -33.677 -13.005 16.134 1.00 12.09 N ATOM 814 CA PRO A 92 -34.819 -12.262 16.696 1.00 11.26 C ATOM 815 C PRO A 92 -34.919 -12.336 18.218 1.00 10.74 C ATOM 816 O PRO A 92 -35.591 -11.486 18.815 1.00 11.45 O ATOM 817 CB PRO A 92 -36.039 -12.908 16.013 1.00 12.68 C ATOM 818 CG PRO A 92 -35.549 -14.252 15.513 1.00 15.43 C ATOM 819 CD PRO A 92 -34.093 -14.056 15.183 1.00 11.15 C ATOM 820 N PHE A 93 -34.291 -13.315 18.873 1.00 8.53 N ATOM 821 CA PHE A 93 -34.360 -13.416 20.328 1.00 9.13 C ATOM 822 C PHE A 93 -33.164 -12.758 21.025 1.00 10.07 C ATOM 823 O PHE A 93 -33.016 -12.886 22.242 1.00 9.03 O ATOM 824 CB PHE A 93 -34.485 -14.883 20.761 1.00 8.58 C ATOM 825 CG PHE A 93 -35.693 -15.612 20.178 1.00 9.24 C ATOM 826 CD1 PHE A 93 -36.781 -14.912 19.678 1.00 11.64 C ATOM 827 CD2 PHE A 93 -35.718 -17.010 20.127 1.00 10.25 C ATOM 828 CE1 PHE A 93 -37.891 -15.582 19.141 1.00 9.83 C ATOM 829 CE2 PHE A 93 -36.820 -17.695 19.595 1.00 12.03 C ATOM 830 CZ PHE A 93 -37.909 -16.972 19.100 1.00 11.31 C ATOM 831 H PHE A 93 -33.743 -14.018 18.338 1.00 0.00 H ATOM 832 N PHE A 94 -32.333 -12.027 20.290 1.00 10.05 N ATOM 833 CA PHE A 94 -31.203 -11.320 20.896 1.00 11.44 C ATOM 834 C PHE A 94 -31.649 -10.465 22.083 1.00 12.86 C ATOM 835 O PHE A 94 -32.669 -9.773 22.023 1.00 13.46 O ATOM 836 CB PHE A 94 -30.520 -10.441 19.843 1.00 10.89 C ATOM 837 CG PHE A 94 -29.375 -9.617 20.379 1.00 12.78 C ATOM 838 CD1 PHE A 94 -28.265 -10.229 20.936 1.00 11.08 C ATOM 839 CD2 PHE A 94 -29.404 -8.229 20.307 1.00 14.34 C ATOM 840 CE1 PHE A 94 -27.200 -9.477 21.429 1.00 11.06 C ATOM 841 CE2 PHE A 94 -28.346 -7.470 20.793 1.00 14.36 C ATOM 842 CZ PHE A 94 -27.234 -8.104 21.355 1.00 10.99 C ATOM 843 H PHE A 94 -32.488 -11.956 19.264 1.00 0.00 H ATOM 844 N ASN A 95 -30.874 -10.529 23.171 1.00 10.17 N ATOM 845 CA ASN A 95 -31.124 -9.788 24.408 1.00 13.10 C ATOM 846 C ASN A 95 -29.965 -8.817 24.605 1.00 13.96 C ATOM 847 O ASN A 95 -28.843 -9.244 24.898 1.00 12.82 O ATOM 848 CB ASN A 95 -31.246 -10.749 25.594 1.00 11.24 C ATOM 849 CG ASN A 95 -31.662 -10.060 26.892 1.00 15.38 C ATOM 850 OD1 ASN A 95 -31.280 -8.922 27.166 1.00 14.32 O ATOM 851 ND2 ASN A 95 -32.451 -10.765 27.703 1.00 13.34 N ATOM 852 HD22 ASN A 95 -32.751 -11.724 27.433 1.00 0.00 H ATOM 853 HD21 ASN A 95 -32.767 -10.356 28.606 1.00 0.00 H ATOM 854 H ASN A 95 -30.038 -11.147 23.136 1.00 0.00 H ATOM 855 N ASP A 96 -30.220 -7.517 24.446 1.00 13.61 N ATOM 856 CA ASP A 96 -29.130 -6.543 24.526 1.00 16.29 C ATOM 857 C ASP A 96 -28.712 -6.223 25.959 1.00 21.00 C ATOM 858 O ASP A 96 -27.812 -5.399 26.154 1.00 16.20 O ATOM 859 CB ASP A 96 -29.502 -5.243 23.791 1.00 14.65 C ATOM 860 CG ASP A 96 -30.745 -4.581 24.358 1.00 23.06 C ATOM 861 OD1 ASP A 96 -31.377 -5.160 25.263 1.00 19.89 O ATOM 862 OD2 ASP A 96 -31.099 -3.475 23.899 1.00 23.96 O ATOM 863 H ASP A 96 -31.193 -7.196 24.265 1.00 0.00 H ATOM 864 N PHE A 97 -29.331 -6.838 26.965 1.00 13.30 N ATOM 865 CA PHE A 97 -28.887 -6.676 28.344 1.00 12.94 C ATOM 866 C PHE A 97 -27.990 -7.830 28.787 1.00 14.66 C ATOM 867 O PHE A 97 -26.911 -7.603 29.336 1.00 12.60 O ATOM 868 CB PHE A 97 -30.104 -6.535 29.273 1.00 13.76 C ATOM 869 CG PHE A 97 -29.761 -6.083 30.669 1.00 18.86 C ATOM 870 CD1 PHE A 97 -29.407 -4.771 30.922 1.00 17.65 C ATOM 871 CD2 PHE A 97 -29.802 -6.972 31.728 1.00 11.74 C ATOM 872 CE1 PHE A 97 -29.088 -4.360 32.207 1.00 17.86 C ATOM 873 CE2 PHE A 97 -29.482 -6.566 33.013 1.00 16.85 C ATOM 874 CZ PHE A 97 -29.130 -5.267 33.255 1.00 15.89 C ATOM 875 H PHE A 97 -30.149 -7.447 26.762 1.00 0.00 H ATOM 876 N THR A 98 -28.405 -9.072 28.529 1.00 13.76 N ATOM 877 CA THR A 98 -27.628 -10.252 28.893 1.00 13.22 C ATOM 878 C THR A 98 -26.728 -10.750 27.770 1.00 12.49 C ATOM 879 O THR A 98 -25.797 -11.534 28.029 1.00 14.24 O ATOM 880 CB THR A 98 -28.565 -11.394 29.286 1.00 11.89 C ATOM 881 OG1 THR A 98 -29.460 -11.653 28.197 1.00 11.71 O ATOM 882 CG2 THR A 98 -29.359 -11.042 30.527 1.00 10.59 C ATOM 883 HG1 THR A 98 -30.071 -12.392 28.442 1.00 0.00 H ATOM 884 H THR A 98 -29.318 -9.204 28.050 1.00 0.00 H ATOM 885 N PHE A 99 -27.004 -10.324 26.536 1.00 11.88 N ATOM 886 CA PHE A 99 -26.357 -10.783 25.314 1.00 10.66 C ATOM 887 C PHE A 99 -26.644 -12.249 25.013 1.00 12.62 C ATOM 888 O PHE A 99 -25.879 -12.906 24.304 1.00 12.17 O ATOM 889 CB PHE A 99 -24.859 -10.458 25.354 1.00 14.02 C ATOM 890 CG PHE A 99 -24.605 -8.970 25.341 1.00 18.36 C ATOM 891 CD1 PHE A 99 -24.541 -8.258 26.525 1.00 19.53 C ATOM 892 CD2 PHE A 99 -24.537 -8.273 24.140 1.00 15.17 C ATOM 893 CE1 PHE A 99 -24.354 -6.879 26.517 1.00 19.80 C ATOM 894 CE2 PHE A 99 -24.343 -6.903 24.121 1.00 18.68 C ATOM 895 CZ PHE A 99 -24.256 -6.204 25.315 1.00 20.82 C ATOM 896 H PHE A 99 -27.746 -9.601 26.438 1.00 0.00 H ATOM 897 N ASP A 100 -27.762 -12.754 25.538 1.00 11.67 N ATOM 898 CA ASP A 100 -28.371 -13.990 25.075 1.00 9.77 C ATOM 899 C ASP A 100 -28.616 -13.918 23.569 1.00 9.87 C ATOM 900 O ASP A 100 -28.879 -12.844 23.015 1.00 8.42 O ATOM 901 CB ASP A 100 -29.699 -14.193 25.819 1.00 9.54 C ATOM 902 CG ASP A 100 -30.112 -15.642 25.919 1.00 13.38 C ATOM 903 OD1 ASP A 100 -29.344 -16.519 25.490 1.00 9.77 O ATOM 904 OD2 ASP A 100 -31.226 -15.901 26.429 1.00 12.61 O ATOM 905 H ASP A 100 -28.220 -12.238 26.316 1.00 0.00 H ATOM 906 N TYR A 101 -28.536 -15.077 22.909 1.00 6.88 N ATOM 907 CA TYR A 101 -28.798 -15.210 21.469 1.00 9.69 C ATOM 908 C TYR A 101 -27.935 -14.256 20.638 1.00 9.13 C ATOM 909 O TYR A 101 -28.407 -13.616 19.695 1.00 8.26 O ATOM 910 CB TYR A 101 -30.285 -15.000 21.164 1.00 8.96 C ATOM 911 CG TYR A 101 -31.171 -16.134 21.642 1.00 10.48 C ATOM 912 CD1 TYR A 101 -31.413 -17.239 20.838 1.00 9.60 C ATOM 913 CD2 TYR A 101 -31.747 -16.105 22.907 1.00 11.56 C ATOM 914 CE1 TYR A 101 -32.221 -18.292 21.272 1.00 10.67 C ATOM 915 CE2 TYR A 101 -32.550 -17.143 23.353 1.00 8.65 C ATOM 916 CZ TYR A 101 -32.790 -18.231 22.531 1.00 11.80 C ATOM 917 OH TYR A 101 -33.583 -19.268 22.976 1.00 12.40 O ATOM 918 HH TYR A 101 -33.650 -19.958 22.269 1.00 0.00 H ATOM 919 H TYR A 101 -28.274 -15.930 23.443 1.00 0.00 H ATOM 920 N ASP A 102 -26.639 -14.199 20.963 1.00 7.22 N ATOM 921 CA ASP A 102 -25.721 -13.235 20.342 1.00 7.11 C ATOM 922 C ASP A 102 -25.137 -13.836 19.060 1.00 7.50 C ATOM 923 O ASP A 102 -23.994 -14.306 19.010 1.00 10.14 O ATOM 924 CB ASP A 102 -24.625 -12.843 21.331 1.00 8.96 C ATOM 925 CG ASP A 102 -23.776 -11.695 20.841 1.00 9.63 C ATOM 926 OD1 ASP A 102 -24.190 -11.040 19.861 1.00 9.32 O ATOM 927 OD2 ASP A 102 -22.694 -11.448 21.443 1.00 10.86 O ATOM 928 H ASP A 102 -26.270 -14.858 21.678 1.00 0.00 H ATOM 929 N ILE A 103 -25.936 -13.811 17.997 1.00 7.56 N ATOM 930 CA ILE A 103 -25.546 -14.411 16.723 1.00 6.80 C ATOM 931 C ILE A 103 -26.270 -13.673 15.599 1.00 9.33 C ATOM 932 O ILE A 103 -27.412 -13.221 15.763 1.00 9.70 O ATOM 933 CB ILE A 103 -25.819 -15.936 16.714 1.00 9.32 C ATOM 934 CG1 ILE A 103 -25.262 -16.593 15.440 1.00 9.12 C ATOM 935 CG2 ILE A 103 -27.321 -16.247 16.873 1.00 8.35 C ATOM 936 CD1 ILE A 103 -25.284 -18.124 15.462 1.00 9.87 C ATOM 937 H ILE A 103 -26.865 -13.351 18.075 1.00 0.00 H ATOM 938 N ALA A 104 -25.581 -13.516 14.467 1.00 7.39 N ATOM 939 CA ALA A 104 -26.108 -12.830 13.294 1.00 7.51 C ATOM 940 C ALA A 104 -25.643 -13.559 12.034 1.00 9.94 C ATOM 941 O ALA A 104 -24.628 -14.257 12.035 1.00 9.39 O ATOM 942 CB ALA A 104 -25.664 -11.356 13.243 1.00 9.60 C ATOM 943 H ALA A 104 -24.617 -13.904 14.419 1.00 0.00 H ATOM 944 N LEU A 105 -26.410 -13.402 10.959 1.00 8.74 N ATOM 945 CA LEU A 105 -26.068 -13.924 9.645 1.00 8.54 C ATOM 946 C LEU A 105 -25.897 -12.743 8.710 1.00 9.09 C ATOM 947 O LEU A 105 -26.751 -11.853 8.684 1.00 11.77 O ATOM 948 CB LEU A 105 -27.155 -14.854 9.096 1.00 10.56 C ATOM 949 CG LEU A 105 -27.423 -16.170 9.813 1.00 12.99 C ATOM 950 CD1 LEU A 105 -28.814 -16.679 9.432 1.00 14.42 C ATOM 951 CD2 LEU A 105 -26.352 -17.176 9.417 1.00 13.26 C ATOM 952 H LEU A 105 -27.302 -12.878 11.063 1.00 0.00 H ATOM 953 N LEU A 106 -24.797 -12.728 7.958 1.00 9.09 N ATOM 954 CA LEU A 106 -24.475 -11.626 7.059 1.00 7.57 C ATOM 955 C LEU A 106 -24.436 -12.144 5.627 1.00 10.94 C ATOM 956 O LEU A 106 -23.697 -13.090 5.328 1.00 8.83 O ATOM 957 CB LEU A 106 -23.123 -10.992 7.407 1.00 11.06 C ATOM 958 CG LEU A 106 -22.696 -10.756 8.866 1.00 11.68 C ATOM 959 CD1 LEU A 106 -21.293 -10.123 8.937 1.00 10.91 C ATOM 960 CD2 LEU A 106 -23.673 -9.916 9.628 1.00 11.53 C ATOM 961 H LEU A 106 -24.142 -13.534 8.015 1.00 0.00 H ATOM 962 N GLU A 107 -25.208 -11.515 4.746 1.00 10.22 N ATOM 963 CA GLU A 107 -25.310 -11.928 3.351 1.00 10.50 C ATOM 964 C GLU A 107 -24.344 -11.099 2.517 1.00 12.05 C ATOM 965 O GLU A 107 -24.414 -9.864 2.514 1.00 12.91 O ATOM 966 CB GLU A 107 -26.736 -11.775 2.821 1.00 13.84 C ATOM 967 CG GLU A 107 -26.951 -12.474 1.476 1.00 10.43 C ATOM 968 CD GLU A 107 -28.380 -12.338 0.958 1.00 22.95 C ATOM 969 OE1 GLU A 107 -28.684 -12.895 -0.115 1.00 25.31 O ATOM 970 OE2 GLU A 107 -29.199 -11.671 1.619 1.00 22.35 O ATOM 971 H GLU A 107 -25.762 -10.695 5.065 1.00 0.00 H ATOM 972 N LEU A 108 -23.429 -11.777 1.839 1.00 13.82 N ATOM 973 CA LEU A 108 -22.496 -11.093 0.961 1.00 13.29 C ATOM 974 C LEU A 108 -23.230 -10.502 -0.232 1.00 14.91 C ATOM 975 O LEU A 108 -24.184 -11.082 -0.757 1.00 11.82 O ATOM 976 CB LEU A 108 -21.413 -12.052 0.470 1.00 15.25 C ATOM 977 CG LEU A 108 -20.504 -12.630 1.552 1.00 15.18 C ATOM 978 CD1 LEU A 108 -19.404 -13.472 0.935 1.00 15.20 C ATOM 979 CD2 LEU A 108 -19.912 -11.492 2.356 1.00 12.57 C ATOM 980 H LEU A 108 -23.379 -12.811 1.937 1.00 0.00 H ATOM 981 N GLU A 109 -22.755 -9.338 -0.670 1.00 17.49 N ATOM 982 CA GLU A 109 -23.347 -8.681 -1.826 1.00 20.03 C ATOM 983 C GLU A 109 -23.039 -9.436 -3.121 1.00 19.32 C ATOM 984 O GLU A 109 -23.862 -9.447 -4.041 1.00 18.70 O ATOM 985 CB GLU A 109 -22.850 -7.237 -1.865 1.00 17.59 C ATOM 986 CG GLU A 109 -23.599 -6.317 -2.796 1.00 25.13 C ATOM 987 CD GLU A 109 -23.028 -6.371 -4.191 1.00 30.17 C ATOM 988 OE1 GLU A 109 -23.819 -6.271 -5.154 1.00 34.15 O ATOM 989 OE2 GLU A 109 -21.785 -6.529 -4.314 1.00 28.66 O ATOM 990 H GLU A 109 -21.952 -8.893 -0.181 1.00 0.00 H ATOM 991 N LYS A 110 -21.877 -10.074 -3.207 1.00 16.69 N ATOM 992 CA LYS A 110 -21.545 -11.007 -4.278 1.00 19.18 C ATOM 993 C LYS A 110 -20.827 -12.198 -3.664 1.00 15.17 C ATOM 994 O LYS A 110 -20.234 -12.073 -2.585 1.00 14.26 O ATOM 995 CB LYS A 110 -20.658 -10.357 -5.354 1.00 23.13 C ATOM 996 CG LYS A 110 -21.103 -8.945 -5.671 1.00 26.07 C ATOM 997 CD LYS A 110 -20.920 -8.552 -7.119 1.00 29.30 C ATOM 998 CE LYS A 110 -21.204 -7.055 -7.280 1.00 28.14 C ATOM 999 NZ LYS A 110 -20.900 -6.606 -8.658 1.00 38.33 N ATOM 1000 HZ1 LYS A 110 -19.896 -6.781 -8.865 1.00 0.00 H ATOM 1001 HZ2 LYS A 110 -21.491 -7.134 -9.332 1.00 0.00 H ATOM 1002 HZ3 LYS A 110 -21.100 -5.589 -8.742 1.00 0.00 H ATOM 1003 H LYS A 110 -21.165 -9.899 -2.470 1.00 0.00 H ATOM 1004 N PRO A 111 -20.864 -13.364 -4.319 1.00 18.29 N ATOM 1005 CA PRO A 111 -20.323 -14.580 -3.699 1.00 14.03 C ATOM 1006 C PRO A 111 -18.814 -14.544 -3.532 1.00 15.46 C ATOM 1007 O PRO A 111 -18.076 -13.982 -4.346 1.00 16.19 O ATOM 1008 CB PRO A 111 -20.727 -15.694 -4.677 1.00 15.58 C ATOM 1009 CG PRO A 111 -21.834 -15.113 -5.507 1.00 19.33 C ATOM 1010 CD PRO A 111 -21.549 -13.649 -5.596 1.00 12.47 C ATOM 1011 N ALA A 112 -18.352 -15.206 -2.477 1.00 16.65 N ATOM 1012 CA ALA A 112 -16.928 -15.439 -2.334 1.00 15.70 C ATOM 1013 C ALA A 112 -16.468 -16.448 -3.379 1.00 19.75 C ATOM 1014 O ALA A 112 -17.235 -17.303 -3.830 1.00 18.23 O ATOM 1015 CB ALA A 112 -16.600 -15.952 -0.928 1.00 17.70 C ATOM 1016 H ALA A 112 -19.012 -15.557 -1.754 1.00 0.00 H ATOM 1017 N GLU A 113 -15.201 -16.345 -3.762 1.00 15.26 N ATOM 1018 CA GLU A 113 -14.579 -17.303 -4.667 1.00 18.99 C ATOM 1019 C GLU A 113 -13.699 -18.233 -3.846 1.00 17.75 C ATOM 1020 O GLU A 113 -12.722 -17.788 -3.240 1.00 18.33 O ATOM 1021 CB GLU A 113 -13.753 -16.595 -5.743 1.00 21.51 C ATOM 1022 CG GLU A 113 -13.275 -17.533 -6.846 1.00 32.17 C ATOM 1023 CD GLU A 113 -12.299 -16.872 -7.811 1.00 39.69 C ATOM 1024 OE1 GLU A 113 -11.334 -17.547 -8.238 1.00 43.80 O ATOM 1025 OE2 GLU A 113 -12.497 -15.683 -8.140 1.00 50.78 O ATOM 1026 H GLU A 113 -14.632 -15.552 -3.403 1.00 0.00 H ATOM 1027 N TYR A 114 -14.043 -19.519 -3.826 1.00 19.90 N ATOM 1028 CA TYR A 114 -13.254 -20.473 -3.061 1.00 17.92 C ATOM 1029 C TYR A 114 -11.849 -20.595 -3.641 1.00 17.87 C ATOM 1030 O TYR A 114 -11.656 -20.599 -4.858 1.00 20.32 O ATOM 1031 CB TYR A 114 -13.940 -21.834 -3.045 1.00 19.15 C ATOM 1032 CG TYR A 114 -15.211 -21.879 -2.222 1.00 19.72 C ATOM 1033 CD1 TYR A 114 -15.586 -20.808 -1.413 1.00 21.06 C ATOM 1034 CD2 TYR A 114 -16.029 -22.999 -2.249 1.00 21.98 C ATOM 1035 CE1 TYR A 114 -16.749 -20.855 -0.661 1.00 19.55 C ATOM 1036 CE2 TYR A 114 -17.189 -23.057 -1.498 1.00 19.95 C ATOM 1037 CZ TYR A 114 -17.545 -21.985 -0.710 1.00 19.17 C ATOM 1038 OH TYR A 114 -18.703 -22.062 0.028 1.00 18.60 O ATOM 1039 HH TYR A 114 -18.643 -22.826 0.655 1.00 0.00 H ATOM 1040 H TYR A 114 -14.876 -19.842 -4.358 1.00 0.00 H ATOM 1041 N SER A 115 -10.864 -20.704 -2.759 1.00 17.10 N ATOM 1042 CA SER A 115 -9.460 -20.721 -3.154 1.00 15.51 C ATOM 1043 C SER A 115 -8.671 -21.331 -2.010 1.00 19.58 C ATOM 1044 O SER A 115 -9.234 -21.712 -0.981 1.00 17.80 O ATOM 1045 CB SER A 115 -8.953 -19.309 -3.472 1.00 18.02 C ATOM 1046 OG SER A 115 -8.830 -18.547 -2.277 1.00 14.41 O ATOM 1047 HG SER A 115 -8.502 -17.639 -2.498 1.00 0.00 H ATOM 1048 H SER A 115 -11.102 -20.780 -1.749 1.00 0.00 H ATOM 1049 N SER A 116 -7.348 -21.376 -2.167 1.00 17.53 N ATOM 1050 CA SER A 116 -6.537 -21.883 -1.071 1.00 22.90 C ATOM 1051 C SER A 116 -6.610 -20.975 0.152 1.00 21.11 C ATOM 1052 O SER A 116 -6.316 -21.425 1.263 1.00 24.24 O ATOM 1053 CB SER A 116 -5.091 -22.061 -1.531 1.00 27.67 C ATOM 1054 OG SER A 116 -4.568 -20.833 -2.003 1.00 30.49 O ATOM 1055 HG SER A 116 -3.632 -20.965 -2.297 1.00 0.00 H ATOM 1056 H SER A 116 -6.906 -21.056 -3.052 1.00 0.00 H ATOM 1057 N MET A 117 -7.031 -19.722 -0.021 1.00 20.94 N ATOM 1058 CA MET A 117 -7.094 -18.755 1.069 1.00 19.90 C ATOM 1059 C MET A 117 -8.508 -18.510 1.584 1.00 16.81 C ATOM 1060 O MET A 117 -8.664 -17.904 2.650 1.00 15.88 O ATOM 1061 CB MET A 117 -6.493 -17.415 0.613 1.00 16.57 C ATOM 1062 CG MET A 117 -5.111 -17.538 -0.009 1.00 25.68 C ATOM 1063 SD MET A 117 -3.879 -18.108 1.179 1.00 46.59 S ATOM 1064 CE MET A 117 -3.804 -16.711 2.275 1.00 28.26 C ATOM 1065 H MET A 117 -7.327 -19.422 -0.972 1.00 0.00 H ATOM 1066 N VAL A 118 -9.534 -18.943 0.855 1.00 15.16 N ATOM 1067 CA VAL A 118 -10.926 -18.650 1.192 1.00 15.13 C ATOM 1068 C VAL A 118 -11.722 -19.948 1.069 1.00 13.06 C ATOM 1069 O VAL A 118 -11.888 -20.476 -0.038 1.00 15.62 O ATOM 1070 CB VAL A 118 -11.515 -17.549 0.295 1.00 14.71 C ATOM 1071 CG1 VAL A 118 -12.968 -17.282 0.664 1.00 15.13 C ATOM 1072 CG2 VAL A 118 -10.702 -16.274 0.416 1.00 15.23 C ATOM 1073 H VAL A 118 -9.337 -19.515 0.009 1.00 0.00 H ATOM 1074 N ARG A 119 -12.235 -20.450 2.199 1.00 13.45 N ATOM 1075 CA ARG A 119 -12.908 -21.745 2.245 1.00 13.93 C ATOM 1076 C ARG A 119 -13.873 -21.756 3.421 1.00 15.17 C ATOM 1077 O ARG A 119 -13.534 -21.211 4.483 1.00 10.78 O ATOM 1078 CB ARG A 119 -11.861 -22.863 2.373 1.00 15.46 C ATOM 1079 CG ARG A 119 -12.375 -24.285 2.601 1.00 24.87 C ATOM 1080 CD ARG A 119 -11.176 -25.259 2.725 1.00 29.40 C ATOM 1081 NE ARG A 119 -11.579 -26.618 3.089 1.00 28.26 N ATOM 1082 CZ ARG A 119 -11.681 -27.635 2.231 1.00 41.77 C ATOM 1083 NH1 ARG A 119 -11.401 -27.456 0.943 1.00 35.82 N ATOM 1084 NH2 ARG A 119 -12.058 -28.837 2.662 1.00 35.07 N ATOM 1085 HE ARG A 119 -11.802 -26.804 4.088 1.00 0.00 H ATOM 1086 HH12 ARG A 119 -11.482 -28.251 0.278 1.00 0.00 H ATOM 1087 HH11 ARG A 119 -11.101 -26.521 0.601 1.00 0.00 H ATOM 1088 HH22 ARG A 119 -12.137 -29.628 1.992 1.00 0.00 H ATOM 1089 HH21 ARG A 119 -12.274 -28.984 3.669 1.00 0.00 H ATOM 1090 H ARG A 119 -12.151 -19.897 3.076 1.00 0.00 H ATOM 1091 N PRO A 120 -15.063 -22.340 3.283 1.00 16.39 N ATOM 1092 CA PRO A 120 -16.028 -22.311 4.392 1.00 9.90 C ATOM 1093 C PRO A 120 -15.659 -23.275 5.510 1.00 12.95 C ATOM 1094 O PRO A 120 -15.036 -24.320 5.293 1.00 11.76 O ATOM 1095 CB PRO A 120 -17.342 -22.728 3.722 1.00 13.33 C ATOM 1096 CG PRO A 120 -16.902 -23.626 2.587 1.00 17.89 C ATOM 1097 CD PRO A 120 -15.602 -23.022 2.090 1.00 15.26 C ATOM 1098 N ILE A 121 -16.067 -22.915 6.726 1.00 9.42 N ATOM 1099 CA ILE A 121 -15.993 -23.836 7.855 1.00 9.48 C ATOM 1100 C ILE A 121 -17.182 -24.798 7.800 1.00 13.02 C ATOM 1101 O ILE A 121 -18.206 -24.519 7.175 1.00 12.86 O ATOM 1102 CB ILE A 121 -15.941 -23.053 9.187 1.00 10.67 C ATOM 1103 CG1 ILE A 121 -15.608 -23.975 10.372 1.00 10.08 C ATOM 1104 CG2 ILE A 121 -17.263 -22.279 9.452 1.00 9.55 C ATOM 1105 CD1 ILE A 121 -14.993 -23.229 11.563 1.00 9.72 C ATOM 1106 H ILE A 121 -16.446 -21.958 6.873 1.00 0.00 H ATOM 1107 N CYS A 122 -17.043 -25.963 8.431 1.00 10.02 N ATOM 1108 CA CYS A 122 -18.169 -26.887 8.508 1.00 9.72 C ATOM 1109 C CYS A 122 -19.068 -26.521 9.689 1.00 10.54 C ATOM 1110 O CYS A 122 -18.582 -26.121 10.753 1.00 10.90 O ATOM 1111 CB CYS A 122 -17.687 -28.338 8.653 1.00 12.07 C ATOM 1112 SG CYS A 122 -16.620 -29.014 7.328 1.00 18.31 S ATOM 1113 H CYS A 122 -16.133 -26.213 8.868 1.00 0.00 H ATOM 1114 N LEU A 123 -20.400 -26.666 9.501 1.00 10.86 N ATOM 1115 CA LEU A 123 -21.370 -26.425 10.572 1.00 11.63 C ATOM 1116 C LEU A 123 -21.815 -27.728 11.224 1.00 11.02 C ATOM 1117 O LEU A 123 -22.133 -28.690 10.526 1.00 11.30 O ATOM 1118 CB LEU A 123 -22.614 -25.709 10.048 1.00 12.54 C ATOM 1119 CG LEU A 123 -22.477 -24.261 9.579 1.00 15.12 C ATOM 1120 CD1 LEU A 123 -23.762 -23.855 8.879 1.00 14.54 C ATOM 1121 CD2 LEU A 123 -22.176 -23.340 10.770 1.00 12.81 C ATOM 1122 H LEU A 123 -20.747 -26.958 8.565 1.00 0.00 H ATOM 1123 N PRO A 124 -21.903 -27.754 12.552 1.00 10.36 N ATOM 1124 CA PRO A 124 -22.328 -28.974 13.242 1.00 11.12 C ATOM 1125 C PRO A 124 -23.835 -29.166 13.196 1.00 13.40 C ATOM 1126 O PRO A 124 -24.613 -28.210 13.208 1.00 11.71 O ATOM 1127 CB PRO A 124 -21.855 -28.742 14.682 1.00 10.75 C ATOM 1128 CG PRO A 124 -21.963 -27.236 14.855 1.00 10.23 C ATOM 1129 CD PRO A 124 -21.599 -26.658 13.489 1.00 10.11 C ATOM 1130 N ASP A 125 -24.237 -30.438 13.171 1.00 11.74 N ATOM 1131 CA ASP A 125 -25.644 -30.816 13.266 1.00 13.94 C ATOM 1132 C ASP A 125 -26.226 -30.448 14.627 1.00 14.89 C ATOM 1133 O ASP A 125 -25.518 -30.347 15.631 1.00 12.74 O ATOM 1134 CB ASP A 125 -25.818 -32.319 13.040 1.00 17.21 C ATOM 1135 CG ASP A 125 -25.680 -32.714 11.578 1.00 26.54 C ATOM 1136 OD1 ASP A 125 -25.424 -31.823 10.734 1.00 23.16 O ATOM 1137 OD2 ASP A 125 -25.836 -33.922 11.276 1.00 26.83 O ATOM 1138 H ASP A 125 -23.522 -31.188 13.081 1.00 0.00 H ATOM 1139 N ALA A 126 -27.556 -30.280 14.659 1.00 14.72 N ATOM 1140 CA ALA A 126 -28.204 -29.794 15.879 1.00 16.19 C ATOM 1141 C ALA A 126 -27.957 -30.712 17.076 1.00 19.45 C ATOM 1142 O ALA A 126 -27.930 -30.246 18.221 1.00 17.37 O ATOM 1143 CB ALA A 126 -29.707 -29.615 15.639 1.00 18.81 C ATOM 1144 H ALA A 126 -28.128 -30.495 13.817 1.00 0.00 H ATOM 1145 N SER A 127 -27.764 -32.007 16.849 1.00 21.49 N ATOM 1146 CA SER A 127 -27.592 -32.941 17.959 1.00 21.27 C ATOM 1147 C SER A 127 -26.142 -33.110 18.402 1.00 20.04 C ATOM 1148 O SER A 127 -25.881 -33.913 19.306 1.00 17.79 O ATOM 1149 CB SER A 127 -28.152 -34.311 17.587 1.00 23.07 C ATOM 1150 OG SER A 127 -27.481 -34.797 16.441 1.00 29.07 O ATOM 1151 HG SER A 127 -27.617 -34.168 15.689 1.00 0.00 H ATOM 1152 H SER A 127 -27.735 -32.359 15.871 1.00 0.00 H ATOM 1153 N HIS A 128 -25.188 -32.411 17.792 1.00 15.49 N ATOM 1154 CA HIS A 128 -23.797 -32.607 18.178 1.00 16.86 C ATOM 1155 C HIS A 128 -23.499 -31.874 19.476 1.00 15.31 C ATOM 1156 O HIS A 128 -23.921 -30.733 19.667 1.00 15.36 O ATOM 1157 CB HIS A 128 -22.834 -32.122 17.092 1.00 14.64 C ATOM 1158 CG HIS A 128 -21.399 -32.376 17.433 1.00 14.23 C ATOM 1159 ND1 HIS A 128 -20.849 -33.644 17.439 1.00 16.02 N ATOM 1160 CD2 HIS A 128 -20.418 -31.538 17.841 1.00 11.36 C ATOM 1161 CE1 HIS A 128 -19.580 -33.568 17.805 1.00 16.16 C ATOM 1162 NE2 HIS A 128 -19.295 -32.301 18.059 1.00 16.62 N ATOM 1163 H HIS A 128 -25.434 -31.730 17.045 1.00 0.00 H ATOM 1164 N VAL A 129 -22.762 -32.531 20.366 1.00 15.75 N ATOM 1165 CA VAL A 129 -22.327 -31.938 21.628 1.00 18.62 C ATOM 1166 C VAL A 129 -20.811 -31.790 21.595 1.00 15.66 C ATOM 1167 O VAL A 129 -20.090 -32.759 21.331 1.00 16.56 O ATOM 1168 CB VAL A 129 -22.774 -32.784 22.834 1.00 24.42 C ATOM 1169 CG1 VAL A 129 -22.112 -32.300 24.111 1.00 23.38 C ATOM 1170 CG2 VAL A 129 -24.297 -32.745 22.980 1.00 19.44 C ATOM 1171 H VAL A 129 -22.483 -33.510 20.154 1.00 0.00 H ATOM 1172 N PHE A 130 -20.327 -30.570 21.837 1.00 13.32 N ATOM 1173 CA PHE A 130 -18.897 -30.340 22.011 1.00 10.80 C ATOM 1174 C PHE A 130 -18.568 -30.626 23.472 1.00 16.81 C ATOM 1175 O PHE A 130 -19.041 -29.890 24.353 1.00 14.97 O ATOM 1176 CB PHE A 130 -18.525 -28.905 21.627 1.00 12.79 C ATOM 1177 CG PHE A 130 -18.638 -28.629 20.141 1.00 13.36 C ATOM 1178 CD1 PHE A 130 -17.647 -29.051 19.270 1.00 13.12 C ATOM 1179 CD2 PHE A 130 -19.738 -27.978 19.619 1.00 10.72 C ATOM 1180 CE1 PHE A 130 -17.749 -28.827 17.917 1.00 8.82 C ATOM 1181 CE2 PHE A 130 -19.850 -27.744 18.261 1.00 9.27 C ATOM 1182 CZ PHE A 130 -18.855 -28.171 17.409 1.00 12.56 C ATOM 1183 H PHE A 130 -20.983 -29.766 21.903 1.00 0.00 H ATOM 1184 N PRO A 131 -17.818 -31.681 23.783 1.00 10.32 N ATOM 1185 CA PRO A 131 -17.753 -32.168 25.165 1.00 11.46 C ATOM 1186 C PRO A 131 -16.826 -31.361 26.057 1.00 12.17 C ATOM 1187 O PRO A 131 -15.879 -30.714 25.602 1.00 12.56 O ATOM 1188 CB PRO A 131 -17.222 -33.598 25.007 1.00 12.27 C ATOM 1189 CG PRO A 131 -16.363 -33.515 23.792 1.00 13.00 C ATOM 1190 CD PRO A 131 -17.123 -32.590 22.854 1.00 14.06 C ATOM 1191 N ALA A 132 -17.109 -31.422 27.357 1.00 11.90 N ATOM 1192 CA ALA A 132 -16.233 -30.776 28.320 1.00 12.67 C ATOM 1193 C ALA A 132 -14.813 -31.293 28.154 1.00 16.20 C ATOM 1194 O ALA A 132 -14.583 -32.496 27.988 1.00 13.94 O ATOM 1195 CB ALA A 132 -16.715 -31.025 29.747 1.00 15.80 C ATOM 1196 H ALA A 132 -17.955 -31.931 27.682 1.00 0.00 H ATOM 1197 N GLY A 133 -13.854 -30.371 28.206 1.00 13.57 N ATOM 1198 CA GLY A 133 -12.458 -30.711 28.107 1.00 14.22 C ATOM 1199 C GLY A 133 -11.898 -30.745 26.706 1.00 13.39 C ATOM 1200 O GLY A 133 -10.674 -30.860 26.552 1.00 15.10 O ATOM 1201 H GLY A 133 -14.122 -29.373 28.322 1.00 0.00 H ATOM 1202 N LYS A 134 -12.734 -30.629 25.677 1.00 13.14 N ATOM 1203 CA LYS A 134 -12.226 -30.760 24.319 1.00 14.12 C ATOM 1204 C LYS A 134 -11.433 -29.527 23.902 1.00 14.47 C ATOM 1205 O LYS A 134 -11.818 -28.390 24.194 1.00 13.81 O ATOM 1206 CB LYS A 134 -13.343 -30.989 23.311 1.00 12.16 C ATOM 1207 CG LYS A 134 -12.757 -31.189 21.910 1.00 19.96 C ATOM 1208 CD LYS A 134 -13.754 -31.610 20.879 1.00 17.31 C ATOM 1209 CE LYS A 134 -13.046 -32.103 19.618 1.00 13.81 C ATOM 1210 NZ LYS A 134 -12.043 -31.126 19.082 1.00 16.60 N ATOM 1211 HZ1 LYS A 134 -12.522 -30.234 18.845 1.00 0.00 H ATOM 1212 HZ2 LYS A 134 -11.314 -30.949 19.803 1.00 0.00 H ATOM 1213 HZ3 LYS A 134 -11.599 -31.520 18.228 1.00 0.00 H ATOM 1214 H LYS A 134 -13.744 -30.446 25.842 1.00 0.00 H ATOM 1215 N ALA A 135 -10.335 -29.769 23.186 1.00 13.31 N ATOM 1216 CA ALA A 135 -9.507 -28.692 22.658 1.00 13.39 C ATOM 1217 C ALA A 135 -10.197 -27.990 21.492 1.00 16.98 C ATOM 1218 O ALA A 135 -10.747 -28.631 20.588 1.00 16.91 O ATOM 1219 CB ALA A 135 -8.150 -29.232 22.211 1.00 19.59 C ATOM 1220 H ALA A 135 -10.061 -30.755 22.999 1.00 0.00 H ATOM 1221 N ILE A 136 -10.135 -26.657 21.514 1.00 11.83 N ATOM 1222 CA ILE A 136 -10.805 -25.774 20.569 1.00 11.80 C ATOM 1223 C ILE A 136 -9.853 -24.627 20.262 1.00 10.99 C ATOM 1224 O ILE A 136 -9.087 -24.201 21.126 1.00 12.41 O ATOM 1225 CB ILE A 136 -12.114 -25.190 21.148 1.00 12.85 C ATOM 1226 CG1 ILE A 136 -13.100 -26.292 21.521 1.00 17.93 C ATOM 1227 CG2 ILE A 136 -12.710 -24.188 20.171 1.00 14.39 C ATOM 1228 CD1 ILE A 136 -13.452 -27.170 20.371 1.00 17.64 C ATOM 1229 H ILE A 136 -9.565 -26.215 22.263 1.00 0.00 H ATOM 1230 N TRP A 137 -9.914 -24.105 19.040 1.00 9.28 N ATOM 1231 CA TRP A 137 -9.053 -22.999 18.630 1.00 13.31 C ATOM 1232 C TRP A 137 -9.861 -21.718 18.493 1.00 12.44 C ATOM 1233 O TRP A 137 -10.987 -21.731 17.992 1.00 11.32 O ATOM 1234 CB TRP A 137 -8.339 -23.323 17.304 1.00 9.87 C ATOM 1235 CG TRP A 137 -7.326 -24.382 17.489 1.00 15.41 C ATOM 1236 CD1 TRP A 137 -7.531 -25.729 17.462 1.00 17.62 C ATOM 1237 CD2 TRP A 137 -5.934 -24.192 17.774 1.00 15.72 C ATOM 1238 NE1 TRP A 137 -6.348 -26.392 17.698 1.00 15.35 N ATOM 1239 CE2 TRP A 137 -5.355 -25.471 17.895 1.00 18.31 C ATOM 1240 CE3 TRP A 137 -5.123 -23.061 17.935 1.00 12.80 C ATOM 1241 CZ2 TRP A 137 -3.998 -25.656 18.163 1.00 20.91 C ATOM 1242 CZ3 TRP A 137 -3.776 -23.245 18.204 1.00 14.89 C ATOM 1243 CH2 TRP A 137 -3.228 -24.534 18.314 1.00 20.15 C ATOM 1244 HE1 TRP A 137 -6.228 -27.425 17.723 1.00 0.00 H ATOM 1245 H TRP A 137 -10.594 -24.496 18.357 1.00 0.00 H ATOM 1246 N VAL A 138 -9.301 -20.613 18.961 1.00 10.13 N ATOM 1247 CA VAL A 138 -9.914 -19.308 18.762 1.00 12.82 C ATOM 1248 C VAL A 138 -8.940 -18.469 17.949 1.00 10.97 C ATOM 1249 O VAL A 138 -7.722 -18.588 18.114 1.00 10.48 O ATOM 1250 CB VAL A 138 -10.290 -18.629 20.098 1.00 15.31 C ATOM 1251 CG1 VAL A 138 -9.050 -18.311 20.915 1.00 15.55 C ATOM 1252 CG2 VAL A 138 -11.106 -17.374 19.841 1.00 15.12 C ATOM 1253 H VAL A 138 -8.403 -20.679 19.482 1.00 0.00 H ATOM 1254 N THR A 139 -9.477 -17.662 17.033 1.00 11.28 N ATOM 1255 CA THR A 139 -8.667 -16.891 16.098 1.00 11.35 C ATOM 1256 C THR A 139 -9.215 -15.475 16.001 1.00 10.22 C ATOM 1257 O THR A 139 -10.419 -15.254 16.136 1.00 9.82 O ATOM 1258 CB THR A 139 -8.641 -17.516 14.682 1.00 10.55 C ATOM 1259 OG1 THR A 139 -9.983 -17.763 14.220 1.00 15.07 O ATOM 1260 CG2 THR A 139 -7.855 -18.820 14.670 1.00 12.06 C ATOM 1261 HG1 THR A 139 -10.482 -16.909 14.188 1.00 0.00 H ATOM 1262 H THR A 139 -10.513 -17.580 16.984 1.00 0.00 H ATOM 1263 N GLY A 140 -8.333 -14.517 15.748 1.00 9.30 N ATOM 1264 CA GLY A 140 -8.812 -13.175 15.473 1.00 7.71 C ATOM 1265 C GLY A 140 -7.692 -12.159 15.517 1.00 9.30 C ATOM 1266 O GLY A 140 -6.532 -12.473 15.821 1.00 9.12 O ATOM 1267 H GLY A 140 -7.314 -14.724 15.747 1.00 0.00 H ATOM 1268 N TRP A 141 -8.075 -10.919 15.203 1.00 8.00 N ATOM 1269 CA TRP A 141 -7.192 -9.763 15.219 1.00 10.64 C ATOM 1270 C TRP A 141 -7.406 -8.871 16.441 1.00 15.25 C ATOM 1271 O TRP A 141 -6.962 -7.713 16.445 1.00 12.83 O ATOM 1272 CB TRP A 141 -7.390 -8.946 13.944 1.00 10.80 C ATOM 1273 CG TRP A 141 -6.911 -9.610 12.677 1.00 11.57 C ATOM 1274 CD1 TRP A 141 -5.644 -9.577 12.160 1.00 11.46 C ATOM 1275 CD2 TRP A 141 -7.706 -10.355 11.745 1.00 10.95 C ATOM 1276 NE1 TRP A 141 -5.601 -10.263 10.969 1.00 10.63 N ATOM 1277 CE2 TRP A 141 -6.853 -10.752 10.692 1.00 10.76 C ATOM 1278 CE3 TRP A 141 -9.056 -10.730 11.700 1.00 9.43 C ATOM 1279 CZ2 TRP A 141 -7.304 -11.508 9.605 1.00 10.93 C ATOM 1280 CZ3 TRP A 141 -9.505 -11.482 10.614 1.00 10.04 C ATOM 1281 CH2 TRP A 141 -8.631 -11.857 9.582 1.00 10.44 C ATOM 1282 HE1 TRP A 141 -4.757 -10.391 10.375 1.00 0.00 H ATOM 1283 H TRP A 141 -9.067 -10.770 14.930 1.00 0.00 H ATOM 1284 N GLY A 142 -8.062 -9.380 17.477 1.00 11.67 N ATOM 1285 CA GLY A 142 -8.370 -8.573 18.641 1.00 11.44 C ATOM 1286 C GLY A 142 -7.149 -8.296 19.508 1.00 16.21 C ATOM 1287 O GLY A 142 -6.019 -8.685 19.212 1.00 11.90 O ATOM 1288 H GLY A 142 -8.360 -10.376 17.453 1.00 0.00 H ATOM 1289 N HIS A 143 -7.410 -7.605 20.622 1.00 12.01 N ATOM 1290 CA HIS A 143 -6.370 -7.217 21.570 1.00 12.60 C ATOM 1291 C HIS A 143 -5.579 -8.416 22.076 1.00 13.49 C ATOM 1292 O HIS A 143 -6.129 -9.496 22.315 1.00 11.78 O ATOM 1293 CB HIS A 143 -7.004 -6.477 22.750 1.00 11.74 C ATOM 1294 CG HIS A 143 -7.530 -5.119 22.390 1.00 12.44 C ATOM 1295 ND1 HIS A 143 -8.222 -4.323 23.278 1.00 12.57 N ATOM 1296 CD2 HIS A 143 -7.473 -4.423 21.229 1.00 16.29 C ATOM 1297 CE1 HIS A 143 -8.570 -3.197 22.679 1.00 13.82 C ATOM 1298 NE2 HIS A 143 -8.120 -3.229 21.437 1.00 14.81 N ATOM 1299 H HIS A 143 -8.394 -7.333 20.821 1.00 0.00 H ATOM 1300 N THR A 144 -4.270 -8.221 22.267 1.00 13.07 N ATOM 1301 CA THR A 144 -3.462 -9.303 22.820 1.00 13.47 C ATOM 1302 C THR A 144 -3.326 -9.213 24.332 1.00 13.48 C ATOM 1303 O THR A 144 -2.735 -10.111 24.939 1.00 12.46 O ATOM 1304 CB THR A 144 -2.071 -9.327 22.178 1.00 15.27 C ATOM 1305 OG1 THR A 144 -1.425 -8.066 22.381 1.00 10.98 O ATOM 1306 CG2 THR A 144 -2.193 -9.590 20.691 1.00 16.00 C ATOM 1307 HG1 THR A 144 -1.336 -7.894 23.352 1.00 0.00 H ATOM 1308 H THR A 144 -3.833 -7.309 22.024 1.00 0.00 H ATOM 1309 N GLN A 145 -3.844 -8.142 24.934 1.00 10.19 N ATOM 1310 CA GLN A 145 -3.985 -7.988 26.374 1.00 10.01 C ATOM 1311 C GLN A 145 -5.269 -7.214 26.612 1.00 12.00 C ATOM 1312 O GLN A 145 -5.654 -6.388 25.783 1.00 9.52 O ATOM 1313 CB GLN A 145 -2.821 -7.214 27.006 1.00 14.15 C ATOM 1314 CG GLN A 145 -1.480 -7.918 26.935 1.00 14.30 C ATOM 1315 CD GLN A 145 -1.405 -9.106 27.883 1.00 22.97 C ATOM 1316 OE1 GLN A 145 -1.650 -8.980 29.087 1.00 28.37 O ATOM 1317 NE2 GLN A 145 -1.071 -10.264 27.342 1.00 16.93 N ATOM 1318 HE22 GLN A 145 -0.873 -10.324 26.323 1.00 0.00 H ATOM 1319 HE21 GLN A 145 -1.006 -11.116 27.935 1.00 0.00 H ATOM 1320 H GLN A 145 -4.171 -7.360 24.331 1.00 0.00 H ATOM 1321 N TYR A 146 -5.921 -7.455 27.748 1.00 11.65 N ATOM 1322 CA TYR A 146 -7.079 -6.627 28.074 1.00 13.44 C ATOM 1323 C TYR A 146 -6.645 -5.165 28.201 1.00 15.16 C ATOM 1324 O TYR A 146 -5.664 -4.846 28.881 1.00 10.84 O ATOM 1325 CB TYR A 146 -7.781 -7.101 29.352 1.00 10.86 C ATOM 1326 CG TYR A 146 -8.963 -6.204 29.674 1.00 13.77 C ATOM 1327 CD1 TYR A 146 -10.120 -6.238 28.895 1.00 14.88 C ATOM 1328 CD2 TYR A 146 -8.901 -5.295 30.717 1.00 17.48 C ATOM 1329 CE1 TYR A 146 -11.191 -5.392 29.164 1.00 19.62 C ATOM 1330 CE2 TYR A 146 -9.961 -4.443 30.993 1.00 22.74 C ATOM 1331 CZ TYR A 146 -11.099 -4.495 30.221 1.00 22.53 C ATOM 1332 OH TYR A 146 -12.147 -3.648 30.512 1.00 30.22 O ATOM 1333 HH TYR A 146 -12.885 -3.806 29.872 1.00 0.00 H ATOM 1334 H TYR A 146 -5.613 -8.215 28.388 1.00 0.00 H ATOM 1335 N GLY A 147 -7.371 -4.277 27.521 1.00 11.67 N ATOM 1336 CA GLY A 147 -6.973 -2.887 27.428 1.00 14.94 C ATOM 1337 C GLY A 147 -5.737 -2.622 26.588 1.00 16.66 C ATOM 1338 O GLY A 147 -5.215 -1.505 26.621 1.00 17.33 O ATOM 1339 H GLY A 147 -8.242 -4.589 27.047 1.00 0.00 H ATOM 1340 N GLY A 148 -5.255 -3.598 25.830 1.00 13.27 N ATOM 1341 CA GLY A 148 -4.016 -3.473 25.051 1.00 11.72 C ATOM 1342 C GLY A 148 -4.272 -3.059 23.617 1.00 16.11 C ATOM 1343 O GLY A 148 -5.158 -2.254 23.332 1.00 14.26 O ATOM 1344 H GLY A 148 -5.780 -4.495 25.785 1.00 0.00 H ATOM 1345 N THR A 150 -3.506 -3.633 22.694 1.00 15.56 N ATOM 1346 CA THR A 150 -3.583 -3.247 21.293 1.00 18.25 C ATOM 1347 C THR A 150 -3.828 -4.473 20.417 1.00 17.75 C ATOM 1348 O THR A 150 -3.431 -5.594 20.754 1.00 14.44 O ATOM 1349 CB THR A 150 -2.295 -2.494 20.870 1.00 24.05 C ATOM 1350 OG1 THR A 150 -2.118 -2.568 19.450 1.00 37.40 O ATOM 1351 CG2 THR A 150 -1.078 -3.060 21.562 1.00 25.68 C ATOM 1352 HG1 THR A 150 -2.042 -3.517 19.177 1.00 0.00 H ATOM 1353 H THR A 150 -2.836 -4.375 22.980 1.00 0.00 H ATOM 1354 N GLY A 151 -4.503 -4.255 19.291 1.00 14.82 N ATOM 1355 CA GLY A 151 -4.841 -5.358 18.413 1.00 14.67 C ATOM 1356 C GLY A 151 -3.650 -5.858 17.619 1.00 18.52 C ATOM 1357 O GLY A 151 -2.639 -5.177 17.453 1.00 21.58 O ATOM 1358 H GLY A 151 -4.790 -3.288 19.039 1.00 0.00 H ATOM 1359 N ALA A 152 -3.773 -7.087 17.121 1.00 16.55 N ATOM 1360 CA ALA A 152 -2.728 -7.698 16.313 1.00 15.62 C ATOM 1361 C ALA A 152 -2.938 -7.386 14.838 1.00 16.82 C ATOM 1362 O ALA A 152 -4.061 -7.445 14.332 1.00 18.11 O ATOM 1363 CB ALA A 152 -2.696 -9.213 16.529 1.00 18.72 C ATOM 1364 H ALA A 152 -4.641 -7.626 17.315 1.00 0.00 H ATOM 1365 N LEU A 153 -1.843 -7.041 14.151 1.00 16.10 N ATOM 1366 CA LEU A 153 -1.880 -6.909 12.695 1.00 16.41 C ATOM 1367 C LEU A 153 -2.000 -8.268 12.024 1.00 15.63 C ATOM 1368 O LEU A 153 -2.802 -8.443 11.093 1.00 15.14 O ATOM 1369 CB LEU A 153 -0.620 -6.194 12.197 1.00 19.08 C ATOM 1370 CG LEU A 153 -0.386 -4.743 12.627 1.00 20.77 C ATOM 1371 CD1 LEU A 153 0.994 -4.285 12.173 1.00 23.61 C ATOM 1372 CD2 LEU A 153 -1.474 -3.833 12.063 1.00 19.19 C ATOM 1373 H LEU A 153 -0.953 -6.864 14.659 1.00 0.00 H ATOM 1374 N ILE A 154 -1.209 -9.234 12.482 1.00 14.64 N ATOM 1375 CA ILE A 154 -1.216 -10.596 11.962 1.00 14.64 C ATOM 1376 C ILE A 154 -2.256 -11.411 12.717 1.00 12.91 C ATOM 1377 O ILE A 154 -2.306 -11.375 13.952 1.00 14.10 O ATOM 1378 CB ILE A 154 0.174 -11.241 12.097 1.00 12.49 C ATOM 1379 CG1 ILE A 154 1.235 -10.393 11.390 1.00 19.54 C ATOM 1380 CG2 ILE A 154 0.157 -12.665 11.555 1.00 14.58 C ATOM 1381 CD1 ILE A 154 1.005 -10.272 9.897 1.00 22.79 C ATOM 1382 H ILE A 154 -0.550 -9.005 13.253 1.00 0.00 H ATOM 1383 N LEU A 155 -3.067 -12.165 11.981 1.00 11.19 N ATOM 1384 CA LEU A 155 -4.078 -13.015 12.608 1.00 11.51 C ATOM 1385 C LEU A 155 -3.459 -13.933 13.671 1.00 10.92 C ATOM 1386 O LEU A 155 -2.444 -14.589 13.428 1.00 11.90 O ATOM 1387 CB LEU A 155 -4.779 -13.848 11.531 1.00 11.00 C ATOM 1388 CG LEU A 155 -5.861 -14.796 12.046 1.00 10.95 C ATOM 1389 CD1 LEU A 155 -7.045 -14.014 12.597 1.00 9.49 C ATOM 1390 CD2 LEU A 155 -6.301 -15.805 10.969 1.00 11.33 C ATOM 1391 H LEU A 155 -2.981 -12.150 10.945 1.00 0.00 H ATOM 1392 N GLN A 156 -4.092 -13.998 14.843 1.00 9.81 N ATOM 1393 CA GLN A 156 -3.612 -14.786 15.971 1.00 10.76 C ATOM 1394 C GLN A 156 -4.481 -16.019 16.171 1.00 13.44 C ATOM 1395 O GLN A 156 -5.679 -16.000 15.874 1.00 10.42 O ATOM 1396 CB GLN A 156 -3.623 -13.968 17.267 1.00 11.77 C ATOM 1397 CG GLN A 156 -2.727 -12.743 17.227 1.00 11.48 C ATOM 1398 CD GLN A 156 -1.281 -13.124 17.134 1.00 12.89 C ATOM 1399 OE1 GLN A 156 -0.763 -13.816 18.004 1.00 16.44 O ATOM 1400 NE2 GLN A 156 -0.630 -12.723 16.060 1.00 9.80 N ATOM 1401 HE22 GLN A 156 -1.112 -12.137 15.349 1.00 0.00 H ATOM 1402 HE21 GLN A 156 0.365 -12.993 15.924 1.00 0.00 H ATOM 1403 H GLN A 156 -4.974 -13.459 14.958 1.00 0.00 H ATOM 1404 N LYS A 157 -3.868 -17.092 16.694 1.00 8.82 N ATOM 1405 CA LYS A 157 -4.589 -18.308 17.070 1.00 9.39 C ATOM 1406 C LYS A 157 -4.240 -18.712 18.501 1.00 13.44 C ATOM 1407 O LYS A 157 -3.106 -18.533 18.955 1.00 10.95 O ATOM 1408 CB LYS A 157 -4.264 -19.471 16.128 1.00 12.99 C ATOM 1409 CG LYS A 157 -2.781 -19.852 16.143 1.00 11.33 C ATOM 1410 CD LYS A 157 -2.455 -20.948 15.155 1.00 13.27 C ATOM 1411 CE LYS A 157 -0.971 -21.312 15.249 1.00 21.18 C ATOM 1412 NZ LYS A 157 -0.589 -22.304 14.210 1.00 24.41 N ATOM 1413 HZ1 LYS A 157 -1.151 -23.170 14.336 1.00 0.00 H ATOM 1414 HZ2 LYS A 157 -0.772 -21.905 13.267 1.00 0.00 H ATOM 1415 HZ3 LYS A 157 0.422 -22.528 14.302 1.00 0.00 H ATOM 1416 H LYS A 157 -2.839 -17.058 16.838 1.00 0.00 H ATOM 1417 N GLY A 158 -5.210 -19.303 19.195 1.00 11.48 N ATOM 1418 CA GLY A 158 -4.993 -19.776 20.553 1.00 11.91 C ATOM 1419 C GLY A 158 -5.778 -21.043 20.822 1.00 14.25 C ATOM 1420 O GLY A 158 -6.887 -21.228 20.310 1.00 11.68 O ATOM 1421 H GLY A 158 -6.144 -19.429 18.756 1.00 0.00 H ATOM 1422 N GLU A 159 -5.208 -21.914 21.652 1.00 10.82 N ATOM 1423 CA GLU A 159 -5.840 -23.183 21.996 1.00 11.01 C ATOM 1424 C GLU A 159 -6.450 -23.104 23.394 1.00 11.43 C ATOM 1425 O GLU A 159 -5.748 -22.813 24.372 1.00 11.82 O ATOM 1426 CB GLU A 159 -4.843 -24.339 21.909 1.00 15.77 C ATOM 1427 CG GLU A 159 -5.533 -25.693 21.933 1.00 17.84 C ATOM 1428 CD GLU A 159 -4.553 -26.849 21.877 1.00 26.37 C ATOM 1429 OE1 GLU A 159 -3.389 -26.666 22.290 1.00 34.25 O ATOM 1430 OE2 GLU A 159 -4.949 -27.934 21.412 1.00 26.53 O ATOM 1431 H GLU A 159 -4.283 -21.683 22.068 1.00 0.00 H ATOM 1432 N ILE A 160 -7.756 -23.373 23.482 1.00 9.67 N ATOM 1433 CA ILE A 160 -8.528 -23.304 24.722 1.00 10.18 C ATOM 1434 C ILE A 160 -9.334 -24.600 24.851 1.00 11.10 C ATOM 1435 O ILE A 160 -9.257 -25.475 23.993 1.00 11.52 O ATOM 1436 CB ILE A 160 -9.446 -22.058 24.776 1.00 9.82 C ATOM 1437 CG1 ILE A 160 -10.275 -21.937 23.498 1.00 10.99 C ATOM 1438 CG2 ILE A 160 -8.638 -20.773 24.982 1.00 11.12 C ATOM 1439 CD1 ILE A 160 -11.169 -20.693 23.469 1.00 10.17 C ATOM 1440 H ILE A 160 -8.256 -23.649 22.613 1.00 0.00 H ATOM 1441 N ARG A 161 -10.073 -24.743 25.953 1.00 9.98 N ATOM 1442 CA ARG A 161 -10.842 -25.965 26.190 1.00 12.92 C ATOM 1443 C ARG A 161 -12.263 -25.668 26.658 1.00 9.69 C ATOM 1444 O ARG A 161 -12.492 -24.744 27.440 1.00 9.33 O ATOM 1445 CB ARG A 161 -10.171 -26.861 27.235 1.00 14.98 C ATOM 1446 CG ARG A 161 -8.866 -27.475 26.779 1.00 17.38 C ATOM 1447 CD ARG A 161 -8.367 -28.515 27.771 1.00 29.06 C ATOM 1448 NE ARG A 161 -7.029 -28.956 27.393 1.00 33.96 N ATOM 1449 CZ ARG A 161 -6.776 -29.896 26.488 1.00 33.37 C ATOM 1450 NH1 ARG A 161 -7.775 -30.525 25.873 1.00 25.14 N ATOM 1451 NH2 ARG A 161 -5.516 -30.214 26.208 1.00 36.72 N ATOM 1452 HE ARG A 161 -6.219 -28.505 27.863 1.00 0.00 H ATOM 1453 HH12 ARG A 161 -7.570 -31.260 25.166 1.00 0.00 H ATOM 1454 HH11 ARG A 161 -8.760 -30.282 26.100 1.00 0.00 H ATOM 1455 HH22 ARG A 161 -5.310 -30.948 25.501 1.00 0.00 H ATOM 1456 HH21 ARG A 161 -4.736 -29.728 26.696 1.00 0.00 H ATOM 1457 H ARG A 161 -10.103 -23.975 26.653 1.00 0.00 H ATOM 1458 N VAL A 162 -13.208 -26.486 26.191 1.00 9.52 N ATOM 1459 CA VAL A 162 -14.586 -26.403 26.659 1.00 10.63 C ATOM 1460 C VAL A 162 -14.645 -26.668 28.161 1.00 10.10 C ATOM 1461 O VAL A 162 -14.048 -27.629 28.668 1.00 10.78 O ATOM 1462 CB VAL A 162 -15.469 -27.408 25.894 1.00 12.05 C ATOM 1463 CG1 VAL A 162 -16.926 -27.288 26.348 1.00 11.37 C ATOM 1464 CG2 VAL A 162 -15.351 -27.203 24.371 1.00 10.46 C ATOM 1465 H VAL A 162 -12.956 -27.199 25.477 1.00 0.00 H ATOM 1466 N ILE A 163 -15.415 -25.845 28.871 1.00 9.47 N ATOM 1467 CA ILE A 163 -15.598 -25.945 30.317 1.00 10.71 C ATOM 1468 C ILE A 163 -17.012 -26.441 30.620 1.00 15.86 C ATOM 1469 O ILE A 163 -17.982 -26.010 29.989 1.00 15.27 O ATOM 1470 CB ILE A 163 -15.315 -24.587 30.994 1.00 12.07 C ATOM 1471 CG1 ILE A 163 -13.812 -24.300 30.973 1.00 12.89 C ATOM 1472 CG2 ILE A 163 -15.864 -24.538 32.427 1.00 12.28 C ATOM 1473 CD1 ILE A 163 -13.453 -22.858 31.213 1.00 15.27 C ATOM 1474 H ILE A 163 -15.916 -25.086 28.366 1.00 0.00 H ATOM 1475 N ASN A 164 -17.121 -27.365 31.581 1.00 15.87 N ATOM 1476 CA ASN A 164 -18.414 -27.890 32.027 1.00 14.22 C ATOM 1477 C ASN A 164 -19.433 -26.771 32.273 1.00 16.10 C ATOM 1478 O ASN A 164 -19.112 -25.747 32.876 1.00 13.48 O ATOM 1479 CB ASN A 164 -18.197 -28.689 33.313 1.00 16.58 C ATOM 1480 CG ASN A 164 -19.485 -29.161 33.928 1.00 20.80 C ATOM 1481 OD1 ASN A 164 -20.173 -28.407 34.615 1.00 21.50 O ATOM 1482 ND2 ASN A 164 -19.820 -30.426 33.692 1.00 28.84 N ATOM 1483 HD22 ASN A 164 -19.206 -31.026 33.105 1.00 0.00 H ATOM 1484 HD21 ASN A 164 -20.696 -30.816 34.095 1.00 0.00 H ATOM 1485 H ASN A 164 -16.254 -27.725 32.029 1.00 0.00 H ATOM 1486 N GLN A 165 -20.681 -26.981 31.830 1.00 13.55 N ATOM 1487 CA GLN A 165 -21.669 -25.895 31.862 1.00 16.38 C ATOM 1488 C GLN A 165 -22.030 -25.496 33.290 1.00 18.06 C ATOM 1489 O GLN A 165 -22.278 -24.316 33.565 1.00 19.63 O ATOM 1490 CB GLN A 165 -22.931 -26.288 31.084 1.00 17.70 C ATOM 1491 CG GLN A 165 -23.959 -25.148 30.900 1.00 18.38 C ATOM 1492 CD GLN A 165 -23.572 -24.156 29.796 1.00 18.83 C ATOM 1493 OE1 GLN A 165 -22.556 -24.321 29.121 1.00 18.53 O ATOM 1494 NE2 GLN A 165 -24.400 -23.132 29.603 1.00 17.19 N ATOM 1495 HE22 GLN A 165 -25.248 -23.030 30.196 1.00 0.00 H ATOM 1496 HE21 GLN A 165 -24.199 -22.434 28.859 1.00 0.00 H ATOM 1497 H GLN A 165 -20.950 -27.916 31.463 1.00 0.00 H ATOM 1498 N THR A 166 -22.077 -26.460 34.213 1.00 18.32 N ATOM 1499 CA THR A 166 -22.374 -26.126 35.606 1.00 16.99 C ATOM 1500 C THR A 166 -21.264 -25.283 36.208 1.00 16.54 C ATOM 1501 O THR A 166 -21.532 -24.310 36.925 1.00 15.17 O ATOM 1502 CB THR A 166 -22.565 -27.400 36.431 1.00 23.50 C ATOM 1503 OG1 THR A 166 -23.704 -28.117 35.946 1.00 23.52 O ATOM 1504 CG2 THR A 166 -22.771 -27.055 37.907 1.00 24.32 C ATOM 1505 HG1 THR A 166 -23.562 -28.357 34.996 1.00 0.00 H ATOM 1506 H THR A 166 -21.902 -27.449 33.941 1.00 0.00 H ATOM 1507 N THR A 167 -20.010 -25.650 35.933 1.00 12.89 N ATOM 1508 CA THR A 167 -18.884 -24.829 36.369 1.00 14.72 C ATOM 1509 C THR A 167 -18.987 -23.426 35.791 1.00 15.02 C ATOM 1510 O THR A 167 -18.821 -22.430 36.504 1.00 14.34 O ATOM 1511 CB THR A 167 -17.566 -25.475 35.945 1.00 15.77 C ATOM 1512 OG1 THR A 167 -17.434 -26.755 36.573 1.00 16.15 O ATOM 1513 CG2 THR A 167 -16.398 -24.586 36.342 1.00 16.42 C ATOM 1514 HG1 THR A 167 -16.579 -27.171 36.296 1.00 0.00 H ATOM 1515 H THR A 167 -19.834 -26.528 35.404 1.00 0.00 H ATOM 1516 N CYS A 168 -19.241 -23.335 34.484 1.00 14.78 N ATOM 1517 CA CYS A 168 -19.425 -22.039 33.836 1.00 13.63 C ATOM 1518 C CYS A 168 -20.452 -21.186 34.580 1.00 14.02 C ATOM 1519 O CYS A 168 -20.183 -20.028 34.932 1.00 14.85 O ATOM 1520 CB CYS A 168 -19.835 -22.274 32.376 1.00 15.29 C ATOM 1521 SG CYS A 168 -19.993 -20.820 31.292 1.00 17.40 S ATOM 1522 H CYS A 168 -19.309 -24.204 33.916 1.00 0.00 H ATOM 1523 N GLU A 169 -21.646 -21.742 34.827 1.00 15.04 N ATOM 1524 CA GLU A 169 -22.681 -20.983 35.527 1.00 17.09 C ATOM 1525 C GLU A 169 -22.198 -20.496 36.892 1.00 15.78 C ATOM 1526 O GLU A 169 -22.514 -19.374 37.305 1.00 17.84 O ATOM 1527 CB GLU A 169 -23.941 -21.833 35.703 1.00 19.42 C ATOM 1528 CG GLU A 169 -24.684 -22.185 34.434 1.00 17.96 C ATOM 1529 CD GLU A 169 -25.598 -23.395 34.634 1.00 30.85 C ATOM 1530 OE1 GLU A 169 -26.258 -23.828 33.663 1.00 30.81 O ATOM 1531 OE2 GLU A 169 -25.648 -23.924 35.765 1.00 27.59 O ATOM 1532 H GLU A 169 -21.837 -22.717 34.520 1.00 0.00 H ATOM 1533 N ASN A 170 -21.457 -21.334 37.620 1.00 16.44 N ATOM 1534 CA ASN A 170 -21.017 -20.962 38.963 1.00 15.71 C ATOM 1535 C ASN A 170 -19.944 -19.887 38.936 1.00 18.98 C ATOM 1536 O ASN A 170 -19.834 -19.098 39.883 1.00 16.10 O ATOM 1537 CB ASN A 170 -20.502 -22.192 39.711 1.00 17.02 C ATOM 1538 CG ASN A 170 -21.611 -23.158 40.066 1.00 21.61 C ATOM 1539 OD1 ASN A 170 -22.777 -22.774 40.134 1.00 23.86 O ATOM 1540 ND2 ASN A 170 -21.253 -24.418 40.298 1.00 21.68 N ATOM 1541 HD22 ASN A 170 -20.253 -24.696 40.228 1.00 0.00 H ATOM 1542 HD21 ASN A 170 -21.973 -25.125 40.549 1.00 0.00 H ATOM 1543 H ASN A 170 -21.190 -22.260 37.228 1.00 0.00 H ATOM 1544 N LEU A 171 -19.139 -19.848 37.876 1.00 18.07 N ATOM 1545 CA LEU A 171 -18.092 -18.839 37.782 1.00 16.27 C ATOM 1546 C LEU A 171 -18.655 -17.464 37.459 1.00 19.41 C ATOM 1547 O LEU A 171 -18.057 -16.453 37.839 1.00 14.63 O ATOM 1548 CB LEU A 171 -17.077 -19.240 36.717 1.00 13.94 C ATOM 1549 CG LEU A 171 -16.230 -20.478 36.969 1.00 20.99 C ATOM 1550 CD1 LEU A 171 -15.486 -20.825 35.706 1.00 19.74 C ATOM 1551 CD2 LEU A 171 -15.262 -20.229 38.119 1.00 23.18 C ATOM 1552 H LEU A 171 -19.258 -20.542 37.111 1.00 0.00 H ATOM 1553 N LEU A 172 -19.777 -17.406 36.739 1.00 14.52 N ATOM 1554 CA LEU A 172 -20.394 -16.154 36.301 1.00 14.78 C ATOM 1555 C LEU A 172 -21.874 -16.197 36.661 1.00 17.87 C ATOM 1556 O LEU A 172 -22.739 -16.359 35.789 1.00 15.01 O ATOM 1557 CB LEU A 172 -20.184 -15.946 34.798 1.00 14.87 C ATOM 1558 CG LEU A 172 -18.705 -15.853 34.385 1.00 15.46 C ATOM 1559 CD1 LEU A 172 -18.441 -16.399 32.972 1.00 17.14 C ATOM 1560 CD2 LEU A 172 -18.212 -14.423 34.511 1.00 19.55 C ATOM 1561 H LEU A 172 -20.238 -18.300 36.475 1.00 0.00 H ATOM 1562 N PRO A 173 -22.199 -16.063 37.947 1.00 17.58 N ATOM 1563 CA PRO A 173 -23.573 -16.329 38.392 1.00 16.80 C ATOM 1564 C PRO A 173 -24.575 -15.355 37.782 1.00 15.60 C ATOM 1565 O PRO A 173 -24.288 -14.171 37.596 1.00 14.68 O ATOM 1566 CB PRO A 173 -23.489 -16.174 39.917 1.00 18.54 C ATOM 1567 CG PRO A 173 -22.281 -15.306 40.144 1.00 24.95 C ATOM 1568 CD PRO A 173 -21.312 -15.705 39.068 1.00 19.08 C ATOM 1569 N GLN A 174 -25.761 -15.878 37.461 1.00 12.12 N ATOM 1570 CA GLN A 174 -26.858 -15.080 36.929 1.00 13.36 C ATOM 1571 C GLN A 174 -26.547 -14.470 35.560 1.00 10.90 C ATOM 1572 O GLN A 174 -27.190 -13.488 35.155 1.00 11.64 O ATOM 1573 CB GLN A 174 -27.250 -13.978 37.921 1.00 17.00 C ATOM 1574 CG GLN A 174 -27.802 -14.532 39.229 1.00 20.69 C ATOM 1575 CD GLN A 174 -27.881 -13.479 40.307 1.00 34.90 C ATOM 1576 OE1 GLN A 174 -28.636 -12.512 40.193 1.00 32.37 O ATOM 1577 NE2 GLN A 174 -27.086 -13.653 41.361 1.00 40.74 N ATOM 1578 HE22 GLN A 174 -26.465 -14.486 41.412 1.00 0.00 H ATOM 1579 HE21 GLN A 174 -27.086 -12.956 42.133 1.00 0.00 H ATOM 1580 H GLN A 174 -25.908 -16.899 37.597 1.00 0.00 H ATOM 1581 N GLN A 175 -25.581 -15.026 34.818 1.00 11.02 N ATOM 1582 CA GLN A 175 -25.254 -14.497 33.501 1.00 9.55 C ATOM 1583 C GLN A 175 -25.127 -15.529 32.383 1.00 9.83 C ATOM 1584 O GLN A 175 -25.022 -15.126 31.219 1.00 12.78 O ATOM 1585 CB GLN A 175 -23.949 -13.696 33.554 1.00 10.77 C ATOM 1586 CG GLN A 175 -24.039 -12.363 34.275 1.00 12.36 C ATOM 1587 CD GLN A 175 -22.904 -11.448 33.858 1.00 18.42 C ATOM 1588 OE1 GLN A 175 -22.930 -10.857 32.775 1.00 19.20 O ATOM 1589 NE2 GLN A 175 -21.885 -11.362 34.692 1.00 11.03 N ATOM 1590 HE22 GLN A 175 -21.907 -11.878 35.595 1.00 0.00 H ATOM 1591 HE21 GLN A 175 -21.060 -10.778 34.447 1.00 0.00 H ATOM 1592 H GLN A 175 -25.058 -15.846 35.187 1.00 0.00 H ATOM 1593 N ILE A 176 -25.106 -16.824 32.676 1.00 9.99 N ATOM 1594 CA ILE A 176 -24.849 -17.843 31.661 1.00 10.10 C ATOM 1595 C ILE A 176 -26.177 -18.507 31.301 1.00 10.17 C ATOM 1596 O ILE A 176 -26.785 -19.189 32.134 1.00 13.21 O ATOM 1597 CB ILE A 176 -23.819 -18.872 32.151 1.00 11.08 C ATOM 1598 CG1 ILE A 176 -22.482 -18.187 32.440 1.00 14.31 C ATOM 1599 CG2 ILE A 176 -23.639 -19.986 31.129 1.00 15.02 C ATOM 1600 CD1 ILE A 176 -21.828 -17.578 31.201 1.00 12.98 C ATOM 1601 H ILE A 176 -25.278 -17.122 33.658 1.00 0.00 H ATOM 1602 N THR A 177 -26.638 -18.303 30.072 1.00 11.37 N ATOM 1603 CA THR A 177 -27.832 -18.970 29.558 1.00 10.27 C ATOM 1604 C THR A 177 -27.439 -20.224 28.792 1.00 11.52 C ATOM 1605 O THR A 177 -26.267 -20.440 28.459 1.00 9.12 O ATOM 1606 CB THR A 177 -28.632 -18.028 28.643 1.00 9.78 C ATOM 1607 OG1 THR A 177 -28.010 -17.963 27.346 1.00 11.22 O ATOM 1608 CG2 THR A 177 -28.753 -16.594 29.230 1.00 9.85 C ATOM 1609 HG1 THR A 177 -28.530 -17.355 26.762 1.00 0.00 H ATOM 1610 H THR A 177 -26.129 -17.642 29.451 1.00 0.00 H ATOM 1611 N PRO A 178 -28.413 -21.090 28.492 1.00 11.59 N ATOM 1612 CA PRO A 178 -28.118 -22.291 27.693 1.00 12.97 C ATOM 1613 C PRO A 178 -27.643 -22.002 26.272 1.00 14.82 C ATOM 1614 O PRO A 178 -27.171 -22.935 25.608 1.00 10.83 O ATOM 1615 CB PRO A 178 -29.459 -23.040 27.677 1.00 13.33 C ATOM 1616 CG PRO A 178 -30.146 -22.580 28.950 1.00 16.68 C ATOM 1617 CD PRO A 178 -29.780 -21.115 29.037 1.00 11.04 C ATOM 1618 N ARG A 179 -27.763 -20.766 25.776 1.00 10.32 N ATOM 1619 CA ARG A 179 -27.175 -20.443 24.481 1.00 9.96 C ATOM 1620 C ARG A 179 -25.683 -20.152 24.571 1.00 11.00 C ATOM 1621 O ARG A 179 -25.031 -19.980 23.533 1.00 9.61 O ATOM 1622 CB ARG A 179 -27.878 -19.239 23.851 1.00 7.45 C ATOM 1623 CG ARG A 179 -29.171 -19.573 23.110 1.00 15.94 C ATOM 1624 CD ARG A 179 -30.201 -20.196 24.034 1.00 11.48 C ATOM 1625 NE ARG A 179 -30.639 -19.265 25.068 1.00 10.50 N ATOM 1626 CZ ARG A 179 -31.488 -19.585 26.040 1.00 10.94 C ATOM 1627 NH1 ARG A 179 -31.988 -20.816 26.104 1.00 12.66 N ATOM 1628 NH2 ARG A 179 -31.830 -18.682 26.949 1.00 11.51 N ATOM 1629 HE ARG A 179 -30.266 -18.295 25.044 1.00 0.00 H ATOM 1630 HH12 ARG A 179 -32.652 -21.069 26.863 1.00 0.00 H ATOM 1631 HH11 ARG A 179 -31.715 -21.526 25.395 1.00 0.00 H ATOM 1632 HH22 ARG A 179 -32.494 -18.934 27.708 1.00 0.00 H ATOM 1633 HH21 ARG A 179 -31.434 -17.721 26.902 1.00 0.00 H ATOM 1634 H ARG A 179 -28.275 -20.037 26.313 1.00 0.00 H ATOM 1635 N MET A 180 -25.141 -20.059 25.777 1.00 9.51 N ATOM 1636 CA MET A 180 -23.760 -19.664 25.996 1.00 9.14 C ATOM 1637 C MET A 180 -22.921 -20.862 26.425 1.00 11.79 C ATOM 1638 O MET A 180 -23.433 -21.821 27.005 1.00 14.11 O ATOM 1639 CB MET A 180 -23.680 -18.571 27.064 1.00 10.47 C ATOM 1640 CG MET A 180 -24.413 -17.282 26.682 1.00 6.36 C ATOM 1641 SD MET A 180 -24.510 -16.254 28.135 1.00 9.76 S ATOM 1642 CE MET A 180 -25.626 -14.958 27.544 1.00 10.06 C ATOM 1643 H MET A 180 -25.731 -20.279 26.605 1.00 0.00 H ATOM 1644 N MET A 181 -21.617 -20.784 26.158 1.00 9.45 N ATOM 1645 CA MET A 181 -20.678 -21.829 26.549 1.00 11.17 C ATOM 1646 C MET A 181 -19.384 -21.175 27.003 1.00 10.44 C ATOM 1647 O MET A 181 -18.918 -20.235 26.351 1.00 10.89 O ATOM 1648 CB MET A 181 -20.430 -22.787 25.375 1.00 11.37 C ATOM 1649 CG MET A 181 -19.424 -23.892 25.654 1.00 15.16 C ATOM 1650 SD MET A 181 -19.451 -25.198 24.393 1.00 21.97 S ATOM 1651 CE MET A 181 -18.685 -24.339 23.024 1.00 19.55 C ATOM 1652 H MET A 181 -21.257 -19.949 25.653 1.00 0.00 H ATOM 1653 N CYS A 182 -18.818 -21.635 28.126 1.00 9.94 N ATOM 1654 CA CYS A 182 -17.494 -21.179 28.550 1.00 10.76 C ATOM 1655 C CYS A 182 -16.415 -22.016 27.870 1.00 11.99 C ATOM 1656 O CYS A 182 -16.491 -23.248 27.868 1.00 9.36 O ATOM 1657 CB CYS A 182 -17.302 -21.278 30.069 1.00 14.33 C ATOM 1658 SG CYS A 182 -18.125 -20.056 31.115 1.00 18.30 S ATOM 1659 H CYS A 182 -19.329 -22.329 28.708 1.00 0.00 H ATOM 1660 N VAL A 183 -15.395 -21.348 27.326 1.00 11.52 N ATOM 1661 CA VAL A 183 -14.244 -22.018 26.720 1.00 10.10 C ATOM 1662 C VAL A 183 -12.993 -21.235 27.090 1.00 10.74 C ATOM 1663 O VAL A 183 -12.967 -20.003 26.964 1.00 9.80 O ATOM 1664 CB VAL A 183 -14.363 -22.137 25.187 1.00 11.88 C ATOM 1665 CG1 VAL A 183 -13.290 -23.110 24.641 1.00 9.53 C ATOM 1666 CG2 VAL A 183 -15.770 -22.594 24.792 1.00 9.23 C ATOM 1667 H VAL A 183 -15.420 -20.308 27.333 1.00 0.00 H ATOM 1668 N GLY A 184 -11.967 -21.938 27.541 1.00 9.83 N ATOM 1669 CA GLY A 184 -10.753 -21.291 28.017 1.00 11.51 C ATOM 1670 C GLY A 184 -10.072 -22.149 29.077 1.00 16.52 C ATOM 1671 O GLY A 184 -10.016 -23.376 28.945 1.00 14.18 O ATOM 1672 H GLY A 184 -12.029 -22.976 27.556 1.00 0.00 H ATOM 1673 N PHE A 184A -9.556 -21.478 30.112 1.00 14.94 N ATOM 1674 CA PHE A 184A -8.875 -22.121 31.229 1.00 14.32 C ATOM 1675 C PHE A 184A -9.259 -21.420 32.518 1.00 14.99 C ATOM 1676 O PHE A 184A -9.328 -20.189 32.564 1.00 13.81 O ATOM 1677 CB PHE A 184A -7.346 -22.079 31.071 1.00 14.97 C ATOM 1678 CG PHE A 184A -6.854 -22.788 29.852 1.00 17.93 C ATOM 1679 CD1 PHE A 184A -6.748 -24.166 29.841 1.00 18.36 C ATOM 1680 CD2 PHE A 184A -6.532 -22.083 28.700 1.00 11.95 C ATOM 1681 CE1 PHE A 184A -6.315 -24.832 28.709 1.00 20.48 C ATOM 1682 CE2 PHE A 184A -6.099 -22.747 27.567 1.00 15.67 C ATOM 1683 CZ PHE A 184A -5.997 -24.127 27.572 1.00 16.20 C ATOM 1684 H PHE A 184A -9.645 -20.442 30.121 1.00 0.00 H ATOM 1685 N LEU A 185 -9.487 -22.199 33.577 1.00 16.77 N ATOM 1686 CA LEU A 185 -9.777 -21.578 34.865 1.00 17.49 C ATOM 1687 C LEU A 185 -8.578 -20.791 35.381 1.00 15.36 C ATOM 1688 O LEU A 185 -8.747 -19.837 36.146 1.00 14.59 O ATOM 1689 CB LEU A 185 -10.200 -22.627 35.892 1.00 20.73 C ATOM 1690 CG LEU A 185 -11.525 -23.372 35.679 1.00 27.34 C ATOM 1691 CD1 LEU A 185 -12.292 -23.434 36.979 1.00 25.00 C ATOM 1692 CD2 LEU A 185 -12.372 -22.742 34.606 1.00 20.79 C ATOM 1693 H LEU A 185 -9.458 -23.235 33.486 1.00 0.00 H ATOM 1694 N SER A 186 -7.367 -21.169 34.975 1.00 14.53 N ATOM 1695 CA SER A 186 -6.173 -20.442 35.382 1.00 19.19 C ATOM 1696 C SER A 186 -5.938 -19.173 34.574 1.00 16.22 C ATOM 1697 O SER A 186 -5.000 -18.436 34.886 1.00 19.70 O ATOM 1698 CB SER A 186 -4.944 -21.345 35.263 1.00 20.03 C ATOM 1699 OG SER A 186 -4.773 -21.743 33.913 1.00 23.06 O ATOM 1700 HG SER A 186 -5.576 -22.238 33.612 1.00 0.00 H ATOM 1701 H SER A 186 -7.273 -21.999 34.356 1.00 0.00 H ATOM 1702 N GLY A 186A -6.740 -18.910 33.541 1.00 19.44 N ATOM 1703 CA GLY A 186A -6.513 -17.742 32.703 1.00 18.65 C ATOM 1704 C GLY A 186A -5.487 -18.008 31.609 1.00 15.69 C ATOM 1705 O GLY A 186A -5.318 -19.132 31.137 1.00 15.17 O ATOM 1706 H GLY A 186A -7.536 -19.546 33.332 1.00 0.00 H ATOM 1707 N GLY A 187 -4.814 -16.954 31.193 1.00 14.62 N ATOM 1708 CA GLY A 187 -3.709 -17.077 30.238 1.00 16.48 C ATOM 1709 C GLY A 187 -4.024 -17.016 28.743 1.00 19.00 C ATOM 1710 O GLY A 187 -3.374 -16.273 28.008 1.00 15.28 O ATOM 1711 H GLY A 187 -5.073 -16.013 31.551 1.00 0.00 H ATOM 1712 N VAL A 188 -4.983 -17.821 28.277 1.00 13.46 N ATOM 1713 CA VAL A 188 -5.372 -17.863 26.866 1.00 13.02 C ATOM 1714 C VAL A 188 -6.865 -17.559 26.784 1.00 13.91 C ATOM 1715 O VAL A 188 -7.654 -18.141 27.538 1.00 10.80 O ATOM 1716 CB VAL A 188 -5.044 -19.227 26.223 1.00 13.88 C ATOM 1717 CG1 VAL A 188 -5.292 -19.200 24.699 1.00 11.68 C ATOM 1718 CG2 VAL A 188 -3.596 -19.645 26.525 1.00 15.12 C ATOM 1719 H VAL A 188 -5.475 -18.446 28.947 1.00 0.00 H ATOM 1720 N ASP A 189 -7.251 -16.661 25.869 1.00 11.30 N ATOM 1721 CA ASP A 189 -8.621 -16.155 25.800 1.00 11.54 C ATOM 1722 C ASP A 189 -8.767 -15.313 24.535 1.00 11.36 C ATOM 1723 O ASP A 189 -7.784 -14.799 23.996 1.00 11.34 O ATOM 1724 CB ASP A 189 -8.954 -15.321 27.052 1.00 11.99 C ATOM 1725 CG ASP A 189 -10.460 -15.209 27.341 1.00 15.66 C ATOM 1726 OD1 ASP A 189 -11.292 -15.761 26.585 1.00 15.55 O ATOM 1727 OD2 ASP A 189 -10.808 -14.543 28.350 1.00 14.70 O ATOM 1728 H ASP A 189 -6.552 -16.311 25.183 1.00 0.00 H ATOM 1729 N SER A 190 -10.006 -15.182 24.061 1.00 10.52 N ATOM 1730 CA SER A 190 -10.286 -14.122 23.104 1.00 10.70 C ATOM 1731 C SER A 190 -10.389 -12.793 23.850 1.00 10.53 C ATOM 1732 O SER A 190 -10.358 -12.747 25.084 1.00 8.61 O ATOM 1733 CB SER A 190 -11.565 -14.416 22.309 1.00 9.33 C ATOM 1734 OG SER A 190 -12.648 -14.709 23.164 1.00 10.54 O ATOM 1735 HG SER A 190 -12.429 -15.504 23.712 1.00 0.00 H ATOM 1736 H SER A 190 -10.761 -15.827 24.370 1.00 0.00 H ATOM 1737 N CYS A 191 -10.526 -11.700 23.097 1.00 10.70 N ATOM 1738 CA CYS A 191 -10.508 -10.368 23.703 1.00 10.17 C ATOM 1739 C CYS A 191 -11.125 -9.371 22.717 1.00 9.68 C ATOM 1740 O CYS A 191 -11.563 -9.742 21.624 1.00 12.00 O ATOM 1741 CB CYS A 191 -9.067 -10.011 24.125 1.00 10.53 C ATOM 1742 SG CYS A 191 -8.893 -8.735 25.402 1.00 11.74 S ATOM 1743 H CYS A 191 -10.647 -11.796 22.068 1.00 0.00 H ATOM 1744 N GLN A 192 -11.176 -8.095 23.117 1.00 10.97 N ATOM 1745 CA GLN A 192 -11.829 -7.064 22.304 1.00 8.73 C ATOM 1746 C GLN A 192 -11.290 -7.034 20.877 1.00 11.92 C ATOM 1747 O GLN A 192 -10.084 -6.910 20.657 1.00 14.33 O ATOM 1748 CB GLN A 192 -11.649 -5.689 22.951 1.00 7.99 C ATOM 1749 CG GLN A 192 -12.657 -5.391 24.047 1.00 10.70 C ATOM 1750 CD GLN A 192 -12.512 -6.303 25.252 1.00 14.80 C ATOM 1751 OE1 GLN A 192 -11.403 -6.524 25.749 1.00 12.42 O ATOM 1752 NE2 GLN A 192 -13.642 -6.829 25.743 1.00 11.87 N ATOM 1753 HE22 GLN A 192 -14.554 -6.615 25.292 1.00 0.00 H ATOM 1754 HE21 GLN A 192 -13.607 -7.451 26.576 1.00 0.00 H ATOM 1755 H GLN A 192 -10.743 -7.829 24.024 1.00 0.00 H ATOM 1756 N GLY A 193 -12.199 -7.124 19.907 1.00 11.96 N ATOM 1757 CA GLY A 193 -11.860 -7.203 18.501 1.00 10.88 C ATOM 1758 C GLY A 193 -11.964 -8.600 17.922 1.00 10.97 C ATOM 1759 O GLY A 193 -11.974 -8.746 16.688 1.00 8.85 O ATOM 1760 H GLY A 193 -13.204 -7.138 20.173 1.00 0.00 H ATOM 1761 N ASP A 194 -12.053 -9.623 18.777 1.00 8.47 N ATOM 1762 CA ASP A 194 -12.298 -10.992 18.336 1.00 9.46 C ATOM 1763 C ASP A 194 -13.785 -11.317 18.205 1.00 9.68 C ATOM 1764 O ASP A 194 -14.132 -12.309 17.553 1.00 8.99 O ATOM 1765 CB ASP A 194 -11.655 -11.990 19.312 1.00 9.22 C ATOM 1766 CG ASP A 194 -10.133 -11.894 19.348 1.00 12.71 C ATOM 1767 OD1 ASP A 194 -9.517 -11.635 18.290 1.00 10.88 O ATOM 1768 OD2 ASP A 194 -9.556 -12.076 20.442 1.00 8.68 O ATOM 1769 H ASP A 194 -11.944 -9.437 19.794 1.00 0.00 H ATOM 1770 N SER A 195 -14.657 -10.504 18.813 1.00 11.25 N ATOM 1771 CA SER A 195 -16.110 -10.664 18.724 1.00 8.43 C ATOM 1772 C SER A 195 -16.565 -11.044 17.323 1.00 8.85 C ATOM 1773 O SER A 195 -16.165 -10.433 16.328 1.00 8.83 O ATOM 1774 CB SER A 195 -16.818 -9.363 19.130 1.00 9.73 C ATOM 1775 OG SER A 195 -16.815 -9.176 20.528 1.00 9.94 O ATOM 1776 HG SER A 195 -15.881 -9.135 20.852 1.00 0.00 H ATOM 1777 H SER A 195 -14.283 -9.716 19.379 1.00 0.00 H ATOM 1778 N GLY A 196 -17.470 -12.014 17.263 1.00 9.61 N ATOM 1779 CA GLY A 196 -18.042 -12.455 16.015 1.00 11.05 C ATOM 1780 C GLY A 196 -17.249 -13.524 15.289 1.00 9.31 C ATOM 1781 O GLY A 196 -17.792 -14.152 14.375 1.00 9.68 O ATOM 1782 H GLY A 196 -17.776 -12.471 18.146 1.00 0.00 H ATOM 1783 N GLY A 197 -15.980 -13.735 15.655 1.00 9.00 N ATOM 1784 CA GLY A 197 -15.151 -14.744 15.031 1.00 8.33 C ATOM 1785 C GLY A 197 -15.542 -16.141 15.467 1.00 8.80 C ATOM 1786 O GLY A 197 -16.267 -16.325 16.448 1.00 9.19 O ATOM 1787 H GLY A 197 -15.574 -13.153 16.415 1.00 0.00 H ATOM 1788 N PRO A 198 -15.078 -17.157 14.741 1.00 7.95 N ATOM 1789 CA PRO A 198 -15.451 -18.542 15.060 1.00 8.01 C ATOM 1790 C PRO A 198 -14.531 -19.244 16.049 1.00 13.28 C ATOM 1791 O PRO A 198 -13.324 -19.001 16.119 1.00 12.07 O ATOM 1792 CB PRO A 198 -15.360 -19.237 13.692 1.00 11.26 C ATOM 1793 CG PRO A 198 -14.246 -18.504 12.999 1.00 9.30 C ATOM 1794 CD PRO A 198 -14.398 -17.049 13.440 1.00 8.33 C ATOM 1795 N LEU A 199 -15.127 -20.159 16.816 1.00 8.64 N ATOM 1796 CA LEU A 199 -14.358 -21.234 17.428 1.00 10.61 C ATOM 1797 C LEU A 199 -14.196 -22.352 16.409 1.00 11.50 C ATOM 1798 O LEU A 199 -15.170 -22.744 15.762 1.00 11.69 O ATOM 1799 CB LEU A 199 -15.064 -21.762 18.679 1.00 11.21 C ATOM 1800 CG LEU A 199 -15.145 -20.815 19.864 1.00 11.76 C ATOM 1801 CD1 LEU A 199 -15.814 -21.517 21.031 1.00 15.48 C ATOM 1802 CD2 LEU A 199 -13.759 -20.332 20.247 1.00 10.81 C ATOM 1803 H LEU A 199 -16.153 -20.104 16.979 1.00 0.00 H ATOM 1804 N SER A 200 -12.970 -22.861 16.260 1.00 12.02 N ATOM 1805 CA SER A 200 -12.658 -23.929 15.314 1.00 13.54 C ATOM 1806 C SER A 200 -12.333 -25.200 16.086 1.00 11.66 C ATOM 1807 O SER A 200 -11.391 -25.209 16.884 1.00 12.09 O ATOM 1808 CB SER A 200 -11.472 -23.547 14.424 1.00 11.66 C ATOM 1809 OG SER A 200 -11.813 -22.516 13.526 1.00 11.79 O ATOM 1810 HG SER A 200 -12.094 -21.715 14.036 1.00 0.00 H ATOM 1811 H SER A 200 -12.201 -22.478 16.846 1.00 0.00 H ATOM 1812 N SER A 201 -13.088 -26.275 15.836 1.00 7.49 N ATOM 1813 CA SER A 201 -12.837 -27.565 16.483 1.00 13.77 C ATOM 1814 C SER A 201 -12.417 -28.606 15.452 1.00 12.62 C ATOM 1815 O SER A 201 -13.100 -28.783 14.439 1.00 12.72 O ATOM 1816 CB SER A 201 -14.079 -28.058 17.236 1.00 13.80 C ATOM 1817 OG SER A 201 -13.871 -29.362 17.757 1.00 15.45 O ATOM 1818 HG SER A 201 -14.684 -29.658 18.238 1.00 0.00 H ATOM 1819 H SER A 201 -13.876 -26.193 15.163 1.00 0.00 H ATOM 1820 N VAL A 202 -11.314 -29.308 15.723 1.00 12.77 N ATOM 1821 CA VAL A 202 -10.872 -30.407 14.863 1.00 14.41 C ATOM 1822 C VAL A 202 -11.687 -31.649 15.202 1.00 11.29 C ATOM 1823 O VAL A 202 -11.680 -32.120 16.345 1.00 11.62 O ATOM 1824 CB VAL A 202 -9.369 -30.684 15.024 1.00 12.59 C ATOM 1825 CG1 VAL A 202 -8.975 -31.917 14.196 1.00 15.35 C ATOM 1826 CG2 VAL A 202 -8.529 -29.455 14.626 1.00 13.32 C ATOM 1827 H VAL A 202 -10.755 -29.068 16.566 1.00 0.00 H ATOM 1828 N GLU A 203 -12.379 -32.194 14.212 1.00 10.80 N ATOM 1829 CA GLU A 203 -13.277 -33.291 14.501 1.00 13.70 C ATOM 1830 C GLU A 203 -12.666 -34.613 14.013 1.00 13.34 C ATOM 1831 O GLU A 203 -11.461 -34.687 13.756 1.00 14.89 O ATOM 1832 CB GLU A 203 -14.653 -32.970 13.912 1.00 12.42 C ATOM 1833 CG GLU A 203 -15.352 -31.833 14.702 1.00 15.73 C ATOM 1834 CD GLU A 203 -15.577 -32.205 16.172 1.00 20.63 C ATOM 1835 OE1 GLU A 203 -15.887 -33.387 16.432 1.00 19.05 O ATOM 1836 OE2 GLU A 203 -15.426 -31.335 17.065 1.00 16.32 O ATOM 1837 H GLU A 203 -12.278 -31.838 13.240 1.00 0.00 H ATOM 1838 N ALA A 204 -13.502 -35.645 13.876 1.00 10.70 N ATOM 1839 CA ALA A 204 -12.989 -37.016 13.879 1.00 16.14 C ATOM 1840 C ALA A 204 -12.133 -37.332 12.655 1.00 16.86 C ATOM 1841 O ALA A 204 -11.245 -38.185 12.733 1.00 16.76 O ATOM 1842 CB ALA A 204 -14.150 -38.008 13.991 1.00 12.68 C ATOM 1843 H ALA A 204 -14.522 -35.474 13.767 1.00 0.00 H ATOM 1844 N ASP A 204A -12.388 -36.690 11.517 1.00 15.82 N ATOM 1845 CA ASP A 204A -11.557 -36.899 10.338 1.00 17.97 C ATOM 1846 C ASP A 204A -10.594 -35.745 10.088 1.00 21.09 C ATOM 1847 O ASP A 204A -10.031 -35.652 8.993 1.00 18.02 O ATOM 1848 CB ASP A 204A -12.430 -37.116 9.103 1.00 18.92 C ATOM 1849 CG ASP A 204A -13.324 -35.929 8.818 1.00 24.87 C ATOM 1850 OD1 ASP A 204A -13.259 -34.934 9.584 1.00 22.25 O ATOM 1851 OD2 ASP A 204A -14.094 -35.992 7.836 1.00 31.81 O ATOM 1852 H ASP A 204A -13.191 -36.031 11.469 1.00 0.00 H ATOM 1853 N GLY A 205 -10.392 -34.868 11.074 1.00 14.96 N ATOM 1854 CA GLY A 205 -9.520 -33.731 10.911 1.00 18.43 C ATOM 1855 C GLY A 205 -10.170 -32.514 10.288 1.00 18.92 C ATOM 1856 O GLY A 205 -9.544 -31.446 10.262 1.00 17.46 O ATOM 1857 H GLY A 205 -10.876 -35.008 11.984 1.00 0.00 H ATOM 1858 N ARG A 206 -11.396 -32.630 9.784 1.00 16.28 N ATOM 1859 CA ARG A 206 -12.083 -31.452 9.266 1.00 17.21 C ATOM 1860 C ARG A 206 -12.523 -30.554 10.419 1.00 14.56 C ATOM 1861 O ARG A 206 -12.812 -31.024 11.522 1.00 11.23 O ATOM 1862 CB ARG A 206 -13.279 -31.860 8.404 1.00 16.80 C ATOM 1863 CG ARG A 206 -12.862 -32.339 7.012 1.00 24.87 C ATOM 1864 CD ARG A 206 -14.052 -32.473 6.096 1.00 26.51 C ATOM 1865 NE ARG A 206 -15.142 -33.139 6.792 1.00 24.66 N ATOM 1866 CZ ARG A 206 -16.427 -32.920 6.547 1.00 27.71 C ATOM 1867 NH1 ARG A 206 -16.783 -32.048 5.609 1.00 29.65 N ATOM 1868 NH2 ARG A 206 -17.354 -33.564 7.249 1.00 24.85 N ATOM 1869 HE ARG A 206 -14.898 -33.831 7.529 1.00 0.00 H ATOM 1870 HH12 ARG A 206 -17.790 -31.875 5.415 1.00 0.00 H ATOM 1871 HH11 ARG A 206 -16.055 -31.539 5.069 1.00 0.00 H ATOM 1872 HH22 ARG A 206 -18.362 -33.394 7.059 1.00 0.00 H ATOM 1873 HH21 ARG A 206 -17.071 -34.238 7.989 1.00 0.00 H ATOM 1874 H ARG A 206 -11.864 -33.559 9.759 1.00 0.00 H ATOM 1875 N ILE A 207 -12.552 -29.243 10.164 1.00 14.88 N ATOM 1876 CA ILE A 207 -12.806 -28.247 11.204 1.00 12.26 C ATOM 1877 C ILE A 207 -14.264 -27.806 11.150 1.00 12.80 C ATOM 1878 O ILE A 207 -14.789 -27.456 10.084 1.00 9.99 O ATOM 1879 CB ILE A 207 -11.840 -27.057 11.072 1.00 15.43 C ATOM 1880 CG1 ILE A 207 -10.420 -27.550 11.401 1.00 15.88 C ATOM 1881 CG2 ILE A 207 -12.248 -25.898 11.991 1.00 11.88 C ATOM 1882 CD1 ILE A 207 -9.337 -26.539 11.144 1.00 26.91 C ATOM 1883 H ILE A 207 -12.388 -28.919 9.190 1.00 0.00 H ATOM 1884 N PHE A 208 -14.917 -27.854 12.305 1.00 13.77 N ATOM 1885 CA PHE A 208 -16.296 -27.443 12.503 1.00 11.34 C ATOM 1886 C PHE A 208 -16.339 -26.235 13.431 1.00 11.08 C ATOM 1887 O PHE A 208 -15.498 -26.090 14.322 1.00 12.17 O ATOM 1888 CB PHE A 208 -17.114 -28.588 13.116 1.00 10.56 C ATOM 1889 CG PHE A 208 -17.486 -29.669 12.131 1.00 10.19 C ATOM 1890 CD1 PHE A 208 -16.522 -30.515 11.615 1.00 16.32 C ATOM 1891 CD2 PHE A 208 -18.806 -29.831 11.725 1.00 11.98 C ATOM 1892 CE1 PHE A 208 -16.859 -31.507 10.699 1.00 15.44 C ATOM 1893 CE2 PHE A 208 -19.150 -30.809 10.814 1.00 12.14 C ATOM 1894 CZ PHE A 208 -18.175 -31.653 10.299 1.00 16.81 C ATOM 1895 H PHE A 208 -14.401 -28.214 13.133 1.00 0.00 H ATOM 1896 N GLN A 209 -17.359 -25.398 13.260 1.00 12.07 N ATOM 1897 CA GLN A 209 -17.496 -24.208 14.095 1.00 8.87 C ATOM 1898 C GLN A 209 -18.212 -24.565 15.398 1.00 11.68 C ATOM 1899 O GLN A 209 -19.343 -25.058 15.377 1.00 12.99 O ATOM 1900 CB GLN A 209 -18.245 -23.104 13.358 1.00 9.83 C ATOM 1901 CG GLN A 209 -18.445 -21.875 14.258 1.00 10.43 C ATOM 1902 CD GLN A 209 -18.689 -20.582 13.494 1.00 13.56 C ATOM 1903 OE1 GLN A 209 -18.698 -20.555 12.261 1.00 10.27 O ATOM 1904 NE2 GLN A 209 -18.877 -19.492 14.235 1.00 7.90 N ATOM 1905 HE22 GLN A 209 -18.862 -19.560 15.273 1.00 0.00 H ATOM 1906 HE21 GLN A 209 -19.039 -18.573 13.776 1.00 0.00 H ATOM 1907 H GLN A 209 -18.067 -25.594 12.523 1.00 0.00 H ATOM 1908 N ALA A 210 -17.554 -24.303 16.528 1.00 9.65 N ATOM 1909 CA ALA A 210 -18.047 -24.649 17.854 1.00 11.66 C ATOM 1910 C ALA A 210 -18.656 -23.475 18.610 1.00 14.66 C ATOM 1911 O ALA A 210 -19.166 -23.671 19.723 1.00 16.25 O ATOM 1912 CB ALA A 210 -16.908 -25.240 18.699 1.00 11.67 C ATOM 1913 H ALA A 210 -16.634 -23.823 16.458 1.00 0.00 H ATOM 1914 N GLY A 211 -18.595 -22.268 18.071 1.00 12.62 N ATOM 1915 CA GLY A 211 -19.117 -21.129 18.808 1.00 11.31 C ATOM 1916 C GLY A 211 -18.794 -19.836 18.100 1.00 10.18 C ATOM 1917 O GLY A 211 -18.073 -19.814 17.095 1.00 9.93 O ATOM 1918 H GLY A 211 -18.177 -22.135 17.128 1.00 0.00 H ATOM 1919 N VAL A 212 -19.356 -18.751 18.651 1.00 8.16 N ATOM 1920 CA VAL A 212 -19.097 -17.374 18.224 1.00 6.64 C ATOM 1921 C VAL A 212 -18.529 -16.594 19.406 1.00 6.93 C ATOM 1922 O VAL A 212 -19.111 -16.608 20.494 1.00 6.98 O ATOM 1923 CB VAL A 212 -20.384 -16.686 17.721 1.00 7.70 C ATOM 1924 CG1 VAL A 212 -20.067 -15.282 17.181 1.00 6.87 C ATOM 1925 CG2 VAL A 212 -21.099 -17.524 16.668 1.00 8.44 C ATOM 1926 H VAL A 212 -20.022 -18.897 19.436 1.00 0.00 H ATOM 1927 N VAL A 213 -17.427 -15.865 19.186 1.00 5.68 N ATOM 1928 CA VAL A 213 -16.885 -15.012 20.249 1.00 8.53 C ATOM 1929 C VAL A 213 -17.920 -13.969 20.657 1.00 9.08 C ATOM 1930 O VAL A 213 -18.430 -13.227 19.812 1.00 7.80 O ATOM 1931 CB VAL A 213 -15.586 -14.336 19.789 1.00 8.07 C ATOM 1932 CG1 VAL A 213 -14.992 -13.488 20.920 1.00 8.37 C ATOM 1933 CG2 VAL A 213 -14.592 -15.379 19.288 1.00 8.19 C ATOM 1934 H VAL A 213 -16.955 -15.904 18.260 1.00 0.00 H ATOM 1935 N SER A 214 -18.231 -13.901 21.962 1.00 7.77 N ATOM 1936 CA SER A 214 -19.294 -13.020 22.454 1.00 8.75 C ATOM 1937 C SER A 214 -18.792 -12.037 23.510 1.00 8.84 C ATOM 1938 O SER A 214 -18.734 -10.840 23.224 1.00 10.91 O ATOM 1939 CB SER A 214 -20.472 -13.850 22.980 1.00 11.40 C ATOM 1940 OG SER A 214 -21.596 -13.033 23.294 1.00 11.21 O ATOM 1941 HG SER A 214 -21.892 -12.554 22.480 1.00 0.00 H ATOM 1942 H SER A 214 -17.704 -14.488 22.640 1.00 0.00 H ATOM 1943 N TRP A 215 -18.467 -12.481 24.729 1.00 8.90 N ATOM 1944 CA TRP A 215 -18.106 -11.563 25.811 1.00 9.60 C ATOM 1945 C TRP A 215 -17.228 -12.263 26.845 1.00 8.39 C ATOM 1946 O TRP A 215 -16.925 -13.456 26.752 1.00 10.24 O ATOM 1947 CB TRP A 215 -19.341 -10.953 26.498 1.00 9.44 C ATOM 1948 CG TRP A 215 -20.301 -11.925 27.183 1.00 10.24 C ATOM 1949 CD1 TRP A 215 -21.340 -12.593 26.598 1.00 10.33 C ATOM 1950 CD2 TRP A 215 -20.318 -12.302 28.577 1.00 8.10 C ATOM 1951 NE1 TRP A 215 -21.997 -13.365 27.536 1.00 12.49 N ATOM 1952 CE2 TRP A 215 -21.393 -13.199 28.755 1.00 11.47 C ATOM 1953 CE3 TRP A 215 -19.531 -11.962 29.688 1.00 10.93 C ATOM 1954 CZ2 TRP A 215 -21.699 -13.768 29.996 1.00 10.54 C ATOM 1955 CZ3 TRP A 215 -19.837 -12.525 30.919 1.00 11.32 C ATOM 1956 CH2 TRP A 215 -20.918 -13.416 31.064 1.00 11.79 C ATOM 1957 HE1 TRP A 215 -22.818 -13.975 27.348 1.00 0.00 H ATOM 1958 H TRP A 215 -18.471 -13.505 24.913 1.00 0.00 H ATOM 1959 N GLY A 216 -16.789 -11.479 27.821 1.00 8.99 N ATOM 1960 CA GLY A 216 -16.041 -11.985 28.961 1.00 10.48 C ATOM 1961 C GLY A 216 -15.835 -10.864 29.953 1.00 12.17 C ATOM 1962 O GLY A 216 -16.042 -9.686 29.645 1.00 12.60 O ATOM 1963 H GLY A 216 -16.988 -10.460 27.769 1.00 0.00 H ATOM 1964 N ASP A 217 -15.446 -11.245 31.167 1.00 12.82 N ATOM 1965 CA ASP A 217 -15.083 -10.266 32.191 1.00 14.15 C ATOM 1966 C ASP A 217 -13.583 -10.032 32.062 1.00 14.39 C ATOM 1967 O ASP A 217 -12.778 -10.863 32.482 1.00 14.83 O ATOM 1968 CB ASP A 217 -15.469 -10.760 33.584 1.00 16.97 C ATOM 1969 CG ASP A 217 -15.131 -9.755 34.684 1.00 23.27 C ATOM 1970 OD1 ASP A 217 -14.640 -8.647 34.366 1.00 23.99 O ATOM 1971 OD2 ASP A 217 -15.360 -10.076 35.869 1.00 24.70 O ATOM 1972 H ASP A 217 -15.399 -12.259 31.392 1.00 0.00 H ATOM 1973 N GLY A 219 -13.202 -8.897 31.480 1.00 15.79 N ATOM 1974 CA GLY A 219 -11.790 -8.736 31.181 1.00 16.93 C ATOM 1975 C GLY A 219 -11.385 -9.740 30.109 1.00 14.47 C ATOM 1976 O GLY A 219 -12.206 -10.207 29.317 1.00 11.88 O ATOM 1977 H GLY A 219 -13.890 -8.153 31.248 1.00 0.00 H ATOM 1978 N CYS A 220 -10.093 -10.078 30.096 1.00 10.67 N ATOM 1979 CA CYS A 220 -9.576 -11.072 29.160 1.00 13.59 C ATOM 1980 C CYS A 220 -8.505 -11.909 29.839 1.00 10.91 C ATOM 1981 O CYS A 220 -7.549 -11.358 30.393 1.00 14.65 O ATOM 1982 CB CYS A 220 -8.971 -10.423 27.905 1.00 12.71 C ATOM 1983 SG CYS A 220 -10.071 -9.354 26.951 1.00 12.52 S ATOM 1984 H CYS A 220 -9.441 -9.623 30.767 1.00 0.00 H ATOM 1985 N ALA A 221 -8.646 -13.234 29.763 1.00 10.49 N ATOM 1986 CA ALA A 221 -7.635 -14.173 30.238 1.00 10.07 C ATOM 1987 C ALA A 221 -7.426 -14.120 31.749 1.00 13.85 C ATOM 1988 O ALA A 221 -6.361 -14.526 32.241 1.00 14.37 O ATOM 1989 CB ALA A 221 -6.295 -13.935 29.519 1.00 12.41 C ATOM 1990 H ALA A 221 -9.519 -13.616 29.345 1.00 0.00 H ATOM 1991 N GLN A 221A -8.402 -13.616 32.501 1.00 11.14 N ATOM 1992 CA GLN A 221A -8.303 -13.584 33.954 1.00 14.99 C ATOM 1993 C GLN A 221A -8.603 -14.951 34.549 1.00 16.97 C ATOM 1994 O GLN A 221A -9.449 -15.701 34.048 1.00 14.25 O ATOM 1995 CB GLN A 221A -9.279 -12.576 34.551 1.00 16.34 C ATOM 1996 CG GLN A 221A -8.985 -11.145 34.212 1.00 17.79 C ATOM 1997 CD GLN A 221A -9.734 -10.184 35.108 1.00 26.23 C ATOM 1998 OE1 GLN A 221A -9.159 -9.621 36.040 1.00 26.60 O ATOM 1999 NE2 GLN A 221A -11.027 -9.994 34.837 1.00 19.78 N ATOM 2000 HE22 GLN A 221A -11.470 -10.492 34.038 1.00 0.00 H ATOM 2001 HE21 GLN A 221A -11.592 -9.348 35.424 1.00 0.00 H ATOM 2002 H GLN A 221A -9.254 -13.237 32.041 1.00 0.00 H ATOM 2003 N ARG A 222 -7.921 -15.258 35.650 1.00 15.39 N ATOM 2004 CA ARG A 222 -8.234 -16.461 36.408 1.00 15.88 C ATOM 2005 C ARG A 222 -9.723 -16.494 36.748 1.00 15.01 C ATOM 2006 O ARG A 222 -10.322 -15.470 37.090 1.00 14.65 O ATOM 2007 CB ARG A 222 -7.383 -16.507 37.684 1.00 20.67 C ATOM 2008 CG ARG A 222 -7.639 -17.720 38.560 1.00 26.36 C ATOM 2009 CD ARG A 222 -7.123 -17.478 39.973 1.00 35.11 C ATOM 2010 NE ARG A 222 -5.679 -17.652 40.073 1.00 31.74 N ATOM 2011 CZ ARG A 222 -5.090 -18.795 40.418 1.00 45.30 C ATOM 2012 NH1 ARG A 222 -5.827 -19.867 40.691 1.00 50.97 N ATOM 2013 NH2 ARG A 222 -3.767 -18.870 40.492 1.00 36.25 N ATOM 2014 HE ARG A 222 -5.072 -16.834 39.862 1.00 0.00 H ATOM 2015 HH12 ARG A 222 -5.367 -20.760 40.960 1.00 0.00 H ATOM 2016 HH11 ARG A 222 -6.864 -19.813 40.635 1.00 0.00 H ATOM 2017 HH22 ARG A 222 -3.311 -19.765 40.762 1.00 0.00 H ATOM 2018 HH21 ARG A 222 -3.186 -18.034 40.280 1.00 0.00 H ATOM 2019 H ARG A 222 -7.156 -14.632 35.972 1.00 0.00 H ATOM 2020 N ASN A 223 -10.319 -17.685 36.624 1.00 17.32 N ATOM 2021 CA ASN A 223 -11.731 -17.960 36.915 1.00 16.08 C ATOM 2022 C ASN A 223 -12.699 -17.097 36.107 1.00 15.10 C ATOM 2023 O ASN A 223 -13.873 -16.984 36.477 1.00 13.74 O ATOM 2024 CB ASN A 223 -12.039 -17.813 38.412 1.00 14.83 C ATOM 2025 CG ASN A 223 -11.432 -18.924 39.238 1.00 22.72 C ATOM 2026 OD1 ASN A 223 -11.332 -20.065 38.783 1.00 21.56 O ATOM 2027 ND2 ASN A 223 -11.015 -18.596 40.458 1.00 32.20 N ATOM 2028 HD22 ASN A 223 -11.121 -17.619 40.799 1.00 0.00 H ATOM 2029 HD21 ASN A 223 -10.583 -19.317 41.071 1.00 0.00 H ATOM 2030 H ASN A 223 -9.735 -18.480 36.295 1.00 0.00 H ATOM 2031 N LYS A 224 -12.257 -16.521 34.987 1.00 11.45 N ATOM 2032 CA LYS A 224 -13.109 -15.709 34.116 1.00 13.66 C ATOM 2033 C LYS A 224 -12.917 -16.122 32.656 1.00 11.75 C ATOM 2034 O LYS A 224 -12.401 -15.348 31.845 1.00 11.24 O ATOM 2035 CB LYS A 224 -12.809 -14.219 34.299 1.00 11.07 C ATOM 2036 CG LYS A 224 -12.992 -13.691 35.706 1.00 16.36 C ATOM 2037 CD LYS A 224 -14.464 -13.633 36.096 1.00 23.42 C ATOM 2038 CE LYS A 224 -14.633 -13.019 37.484 1.00 30.17 C ATOM 2039 NZ LYS A 224 -15.990 -13.269 38.040 1.00 30.46 N ATOM 2040 HZ1 LYS A 224 -16.704 -12.851 37.409 1.00 0.00 H ATOM 2041 HZ2 LYS A 224 -16.149 -14.294 38.115 1.00 0.00 H ATOM 2042 HZ3 LYS A 224 -16.062 -12.836 38.983 1.00 0.00 H ATOM 2043 H LYS A 224 -11.261 -16.655 34.720 1.00 0.00 H ATOM 2044 N PRO A 225 -13.353 -17.325 32.282 1.00 14.19 N ATOM 2045 CA PRO A 225 -13.188 -17.775 30.892 1.00 12.29 C ATOM 2046 C PRO A 225 -14.086 -17.012 29.927 1.00 11.08 C ATOM 2047 O PRO A 225 -15.105 -16.428 30.301 1.00 14.38 O ATOM 2048 CB PRO A 225 -13.581 -19.255 30.952 1.00 12.86 C ATOM 2049 CG PRO A 225 -14.553 -19.317 32.104 1.00 17.41 C ATOM 2050 CD PRO A 225 -14.001 -18.347 33.117 1.00 13.83 C ATOM 2051 N GLY A 226 -13.678 -17.019 28.658 1.00 11.08 N ATOM 2052 CA GLY A 226 -14.496 -16.408 27.627 1.00 10.45 C ATOM 2053 C GLY A 226 -15.831 -17.114 27.482 1.00 10.10 C ATOM 2054 O GLY A 226 -15.949 -18.323 27.698 1.00 11.89 O ATOM 2055 H GLY A 226 -12.772 -17.463 28.406 1.00 0.00 H ATOM 2056 N VAL A 227 -16.848 -16.343 27.100 1.00 8.09 N ATOM 2057 CA VAL A 227 -18.214 -16.835 26.917 1.00 7.53 C ATOM 2058 C VAL A 227 -18.566 -16.733 25.436 1.00 8.67 C ATOM 2059 O VAL A 227 -18.382 -15.674 24.821 1.00 8.29 O ATOM 2060 CB VAL A 227 -19.207 -16.040 27.781 1.00 11.48 C ATOM 2061 CG1 VAL A 227 -20.620 -16.591 27.605 1.00 6.36 C ATOM 2062 CG2 VAL A 227 -18.766 -16.063 29.264 1.00 9.77 C ATOM 2063 H VAL A 227 -16.661 -15.336 26.922 1.00 0.00 H ATOM 2064 N TYR A 228 -19.055 -17.841 24.859 1.00 8.61 N ATOM 2065 CA TYR A 228 -19.277 -17.979 23.425 1.00 9.84 C ATOM 2066 C TYR A 228 -20.716 -18.400 23.149 1.00 9.84 C ATOM 2067 O TYR A 228 -21.302 -19.151 23.923 1.00 9.81 O ATOM 2068 CB TYR A 228 -18.316 -19.025 22.829 1.00 8.22 C ATOM 2069 CG TYR A 228 -16.861 -18.642 22.994 1.00 10.82 C ATOM 2070 CD1 TYR A 228 -16.209 -18.813 24.214 1.00 9.12 C ATOM 2071 CD2 TYR A 228 -16.148 -18.078 21.937 1.00 11.21 C ATOM 2072 CE1 TYR A 228 -14.889 -18.439 24.374 1.00 11.66 C ATOM 2073 CE2 TYR A 228 -14.834 -17.710 22.082 1.00 8.27 C ATOM 2074 CZ TYR A 228 -14.210 -17.899 23.308 1.00 11.35 C ATOM 2075 OH TYR A 228 -12.908 -17.546 23.470 1.00 10.49 O ATOM 2076 HH TYR A 228 -12.626 -17.748 24.397 1.00 0.00 H ATOM 2077 H TYR A 228 -19.289 -18.649 25.471 1.00 0.00 H ATOM 2078 N THR A 229 -21.273 -17.938 22.022 1.00 9.03 N ATOM 2079 CA THR A 229 -22.582 -18.410 21.573 1.00 8.85 C ATOM 2080 C THR A 229 -22.424 -19.777 20.915 1.00 10.99 C ATOM 2081 O THR A 229 -21.582 -19.943 20.026 1.00 8.89 O ATOM 2082 CB THR A 229 -23.209 -17.423 20.579 1.00 9.80 C ATOM 2083 OG1 THR A 229 -23.225 -16.112 21.152 1.00 10.01 O ATOM 2084 CG2 THR A 229 -24.659 -17.825 20.231 1.00 10.65 C ATOM 2085 HG1 THR A 229 -23.758 -16.124 21.986 1.00 0.00 H ATOM 2086 H THR A 229 -20.764 -17.230 21.455 1.00 0.00 H ATOM 2087 N ARG A 230 -23.244 -20.747 21.338 1.00 7.53 N ATOM 2088 CA ARG A 230 -23.197 -22.100 20.791 1.00 10.16 C ATOM 2089 C ARG A 230 -23.682 -22.124 19.342 1.00 11.60 C ATOM 2090 O ARG A 230 -24.405 -21.231 18.887 1.00 15.49 O ATOM 2091 CB ARG A 230 -24.058 -23.056 21.626 1.00 9.61 C ATOM 2092 CG ARG A 230 -23.537 -23.287 23.033 1.00 14.50 C ATOM 2093 CD ARG A 230 -24.598 -23.882 23.960 1.00 15.92 C ATOM 2094 NE ARG A 230 -24.011 -24.210 25.262 1.00 18.06 N ATOM 2095 CZ ARG A 230 -23.404 -25.362 25.525 1.00 24.57 C ATOM 2096 NH1 ARG A 230 -23.324 -26.292 24.585 1.00 27.27 N ATOM 2097 NH2 ARG A 230 -22.880 -25.588 26.721 1.00 25.90 N ATOM 2098 HE ARG A 230 -24.073 -23.502 26.022 1.00 0.00 H ATOM 2099 HH12 ARG A 230 -22.850 -27.195 24.786 1.00 0.00 H ATOM 2100 HH11 ARG A 230 -23.735 -26.119 23.646 1.00 0.00 H ATOM 2101 HH22 ARG A 230 -22.406 -26.493 26.919 1.00 0.00 H ATOM 2102 HH21 ARG A 230 -22.942 -24.861 27.462 1.00 0.00 H ATOM 2103 H ARG A 230 -23.938 -20.529 22.081 1.00 0.00 H ATOM 2104 N LEU A 231 -23.295 -23.183 18.614 1.00 9.75 N ATOM 2105 CA LEU A 231 -23.682 -23.312 17.207 1.00 10.51 C ATOM 2106 C LEU A 231 -24.713 -24.408 16.924 1.00 9.65 C ATOM 2107 O LEU A 231 -25.653 -24.167 16.155 1.00 12.12 O ATOM 2108 CB LEU A 231 -22.450 -23.559 16.337 1.00 13.82 C ATOM 2109 CG LEU A 231 -22.071 -22.417 15.394 1.00 12.98 C ATOM 2110 CD1 LEU A 231 -23.247 -22.056 14.478 1.00 10.28 C ATOM 2111 CD2 LEU A 231 -21.636 -21.208 16.195 1.00 13.11 C ATOM 2112 H LEU A 231 -22.712 -23.923 19.055 1.00 0.00 H ATOM 2113 N PRO A 232 -24.576 -25.625 17.474 1.00 11.16 N ATOM 2114 CA PRO A 232 -25.531 -26.690 17.105 1.00 12.15 C ATOM 2115 C PRO A 232 -26.977 -26.278 17.308 1.00 14.08 C ATOM 2116 O PRO A 232 -27.853 -26.594 16.488 1.00 11.72 O ATOM 2117 CB PRO A 232 -25.124 -27.852 18.021 1.00 14.46 C ATOM 2118 CG PRO A 232 -23.648 -27.639 18.230 1.00 11.93 C ATOM 2119 CD PRO A 232 -23.479 -26.136 18.324 1.00 12.29 C ATOM 2120 N LEU A 233 -27.232 -25.533 18.381 1.00 12.71 N ATOM 2121 CA LEU A 233 -28.569 -25.052 18.701 1.00 15.84 C ATOM 2122 C LEU A 233 -29.188 -24.220 17.581 1.00 15.54 C ATOM 2123 O LEU A 233 -30.417 -24.130 17.503 1.00 18.00 O ATOM 2124 CB LEU A 233 -28.498 -24.236 19.997 1.00 16.75 C ATOM 2125 CG LEU A 233 -29.779 -23.622 20.547 1.00 28.61 C ATOM 2126 CD1 LEU A 233 -30.837 -24.703 20.713 1.00 34.93 C ATOM 2127 CD2 LEU A 233 -29.495 -22.937 21.876 1.00 21.95 C ATOM 2128 H LEU A 233 -26.446 -25.285 19.015 1.00 0.00 H ATOM 2129 N PHE A 234 -28.377 -23.598 16.723 1.00 12.52 N ATOM 2130 CA PHE A 234 -28.879 -22.729 15.666 1.00 11.02 C ATOM 2131 C PHE A 234 -28.790 -23.335 14.263 1.00 12.96 C ATOM 2132 O PHE A 234 -29.027 -22.620 13.285 1.00 12.00 O ATOM 2133 CB PHE A 234 -28.133 -21.381 15.701 1.00 11.89 C ATOM 2134 CG PHE A 234 -28.346 -20.615 16.971 1.00 11.96 C ATOM 2135 CD1 PHE A 234 -29.572 -20.036 17.241 1.00 16.26 C ATOM 2136 CD2 PHE A 234 -27.342 -20.505 17.913 1.00 12.65 C ATOM 2137 CE1 PHE A 234 -29.786 -19.337 18.416 1.00 15.87 C ATOM 2138 CE2 PHE A 234 -27.554 -19.806 19.103 1.00 12.25 C ATOM 2139 CZ PHE A 234 -28.769 -19.221 19.348 1.00 16.11 C ATOM 2140 H PHE A 234 -27.350 -23.738 16.812 1.00 0.00 H ATOM 2141 N ARG A 235 -28.475 -24.630 14.129 1.00 11.17 N ATOM 2142 CA ARG A 235 -28.380 -25.225 12.796 1.00 10.45 C ATOM 2143 C ARG A 235 -29.650 -25.000 11.974 1.00 15.23 C ATOM 2144 O ARG A 235 -29.582 -24.636 10.796 1.00 15.28 O ATOM 2145 CB ARG A 235 -28.090 -26.724 12.895 1.00 13.51 C ATOM 2146 CG ARG A 235 -27.817 -27.360 11.530 1.00 15.36 C ATOM 2147 CD ARG A 235 -26.514 -26.790 10.944 1.00 15.28 C ATOM 2148 NE ARG A 235 -26.206 -27.251 9.587 1.00 15.63 N ATOM 2149 CZ ARG A 235 -26.632 -26.652 8.479 1.00 18.99 C ATOM 2150 NH1 ARG A 235 -27.400 -25.574 8.557 1.00 20.96 N ATOM 2151 NH2 ARG A 235 -26.291 -27.126 7.285 1.00 21.36 N ATOM 2152 HE ARG A 235 -25.616 -28.101 9.484 1.00 0.00 H ATOM 2153 HH12 ARG A 235 -27.732 -25.108 7.688 1.00 0.00 H ATOM 2154 HH11 ARG A 235 -27.671 -25.195 9.487 1.00 0.00 H ATOM 2155 HH22 ARG A 235 -26.628 -26.653 6.422 1.00 0.00 H ATOM 2156 HH21 ARG A 235 -25.688 -27.970 7.214 1.00 0.00 H ATOM 2157 H ARG A 235 -28.298 -25.212 14.972 1.00 0.00 H ATOM 2158 N ASP A 236 -30.820 -25.249 12.575 1.00 13.23 N ATOM 2159 CA ASP A 236 -32.088 -25.086 11.866 1.00 15.27 C ATOM 2160 C ASP A 236 -32.374 -23.626 11.531 1.00 18.47 C ATOM 2161 O ASP A 236 -32.833 -23.324 10.425 1.00 16.84 O ATOM 2162 CB ASP A 236 -33.233 -25.651 12.701 1.00 25.10 C ATOM 2163 CG ASP A 236 -33.074 -27.134 12.980 1.00 33.98 C ATOM 2164 OD1 ASP A 236 -32.331 -27.816 12.228 1.00 29.29 O ATOM 2165 OD2 ASP A 236 -33.697 -27.614 13.952 1.00 43.73 O ATOM 2166 H ASP A 236 -30.827 -25.565 13.566 1.00 0.00 H ATOM 2167 N TRP A 237 -32.154 -22.716 12.487 1.00 12.40 N ATOM 2168 CA TRP A 237 -32.314 -21.291 12.213 1.00 13.02 C ATOM 2169 C TRP A 237 -31.458 -20.855 11.025 1.00 15.85 C ATOM 2170 O TRP A 237 -31.937 -20.134 10.141 1.00 11.96 O ATOM 2171 CB TRP A 237 -31.983 -20.478 13.470 1.00 10.31 C ATOM 2172 CG TRP A 237 -32.120 -18.968 13.281 1.00 13.07 C ATOM 2173 CD1 TRP A 237 -33.276 -18.268 13.113 1.00 11.53 C ATOM 2174 CD2 TRP A 237 -31.055 -18.007 13.224 1.00 12.06 C ATOM 2175 NE1 TRP A 237 -33.001 -16.922 12.969 1.00 14.31 N ATOM 2176 CE2 TRP A 237 -31.645 -16.739 13.028 1.00 15.21 C ATOM 2177 CE3 TRP A 237 -29.662 -18.094 13.336 1.00 11.15 C ATOM 2178 CZ2 TRP A 237 -30.892 -15.570 12.935 1.00 13.34 C ATOM 2179 CZ3 TRP A 237 -28.911 -16.925 13.236 1.00 11.04 C ATOM 2180 CH2 TRP A 237 -29.532 -15.683 13.035 1.00 10.01 C ATOM 2181 HE1 TRP A 237 -33.708 -16.171 12.837 1.00 0.00 H ATOM 2182 H TRP A 237 -31.866 -23.028 13.436 1.00 0.00 H ATOM 2183 N ILE A 238 -30.199 -21.304 10.965 1.00 12.75 N ATOM 2184 CA ILE A 238 -29.347 -20.979 9.818 1.00 14.87 C ATOM 2185 C ILE A 238 -29.941 -21.547 8.533 1.00 15.02 C ATOM 2186 O ILE A 238 -30.044 -20.854 7.513 1.00 16.35 O ATOM 2187 CB ILE A 238 -27.912 -21.490 10.049 1.00 11.47 C ATOM 2188 CG1 ILE A 238 -27.214 -20.664 11.129 1.00 9.47 C ATOM 2189 CG2 ILE A 238 -27.111 -21.481 8.752 1.00 14.50 C ATOM 2190 CD1 ILE A 238 -25.896 -21.282 11.626 1.00 13.10 C ATOM 2191 H ILE A 238 -29.822 -21.888 11.738 1.00 0.00 H ATOM 2192 N LYS A 239 -30.343 -22.820 8.561 1.00 14.99 N ATOM 2193 CA LYS A 239 -30.912 -23.432 7.364 1.00 17.56 C ATOM 2194 C LYS A 239 -32.164 -22.692 6.906 1.00 15.77 C ATOM 2195 O LYS A 239 -32.335 -22.431 5.712 1.00 17.27 O ATOM 2196 CB LYS A 239 -31.230 -24.906 7.627 1.00 17.71 C ATOM 2197 CG LYS A 239 -31.833 -25.645 6.443 1.00 22.62 C ATOM 2198 CD LYS A 239 -30.762 -25.974 5.427 1.00 24.95 C ATOM 2199 CE LYS A 239 -31.274 -26.870 4.311 1.00 33.02 C ATOM 2200 NZ LYS A 239 -30.128 -27.318 3.457 1.00 38.09 N ATOM 2201 HZ1 LYS A 239 -29.659 -26.487 3.044 1.00 0.00 H ATOM 2202 HZ2 LYS A 239 -29.449 -27.847 4.040 1.00 0.00 H ATOM 2203 HZ3 LYS A 239 -30.484 -27.930 2.695 1.00 0.00 H ATOM 2204 H LYS A 239 -30.251 -23.375 9.435 1.00 0.00 H ATOM 2205 N GLU A 240 -33.048 -22.341 7.838 1.00 16.44 N ATOM 2206 CA GLU A 240 -34.300 -21.688 7.458 1.00 21.17 C ATOM 2207 C GLU A 240 -34.068 -20.303 6.872 1.00 21.27 C ATOM 2208 O GLU A 240 -34.847 -19.852 6.025 1.00 21.32 O ATOM 2209 CB GLU A 240 -35.237 -21.581 8.659 1.00 19.58 C ATOM 2210 CG GLU A 240 -35.575 -22.902 9.328 1.00 24.38 C ATOM 2211 CD GLU A 240 -35.925 -23.993 8.335 1.00 42.92 C ATOM 2212 OE1 GLU A 240 -35.207 -25.026 8.303 1.00 42.75 O ATOM 2213 OE2 GLU A 240 -36.915 -23.816 7.587 1.00 49.89 O ATOM 2214 H GLU A 240 -32.847 -22.532 8.840 1.00 0.00 H ATOM 2215 N ASN A 241 -33.014 -19.614 7.304 1.00 15.75 N ATOM 2216 CA ASN A 241 -32.788 -18.234 6.891 1.00 16.44 C ATOM 2217 C ASN A 241 -31.891 -18.100 5.671 1.00 20.99 C ATOM 2218 O ASN A 241 -31.976 -17.090 4.965 1.00 20.27 O ATOM 2219 CB ASN A 241 -32.177 -17.439 8.042 1.00 15.38 C ATOM 2220 CG ASN A 241 -33.214 -16.984 9.031 1.00 19.18 C ATOM 2221 OD1 ASN A 241 -33.767 -15.894 8.899 1.00 21.33 O ATOM 2222 ND2 ASN A 241 -33.509 -17.824 10.014 1.00 16.40 N ATOM 2223 HD22 ASN A 241 -33.014 -18.736 10.085 1.00 0.00 H ATOM 2224 HD21 ASN A 241 -34.235 -17.571 10.714 1.00 0.00 H ATOM 2225 H ASN A 241 -32.338 -20.070 7.950 1.00 0.00 H ATOM 2226 N THR A 242 -31.023 -19.073 5.412 1.00 17.72 N ATOM 2227 CA THR A 242 -30.040 -18.955 4.347 1.00 17.28 C ATOM 2228 C THR A 242 -30.135 -20.046 3.296 1.00 16.65 C ATOM 2229 O THR A 242 -29.520 -19.904 2.233 1.00 20.20 O ATOM 2230 CB THR A 242 -28.611 -18.977 4.920 1.00 17.75 C ATOM 2231 OG1 THR A 242 -28.288 -20.307 5.345 1.00 18.58 O ATOM 2232 CG2 THR A 242 -28.495 -18.042 6.104 1.00 16.78 C ATOM 2233 HG1 THR A 242 -28.929 -20.594 6.043 1.00 0.00 H ATOM 2234 H THR A 242 -31.048 -19.940 5.985 1.00 0.00 H ATOM 2235 N GLY A 243 -30.857 -21.133 3.562 1.00 17.78 N ATOM 2236 CA GLY A 243 -30.784 -22.314 2.733 1.00 17.79 C ATOM 2237 C GLY A 243 -29.538 -23.150 2.928 1.00 25.01 C ATOM 2238 O GLY A 243 -29.463 -24.258 2.375 1.00 26.21 O ATOM 2239 H GLY A 243 -31.490 -21.132 4.388 1.00 0.00 H ATOM 2240 N VAL A 244 -28.561 -22.666 3.693 1.00 21.88 N ATOM 2241 CA VAL A 244 -27.317 -23.394 3.947 1.00 22.07 C ATOM 2242 C VAL A 244 -27.520 -24.499 4.979 1.00 28.68 C ATOM 2243 O VAL A 244 -27.896 -24.210 6.118 1.00 25.18 O ATOM 2244 CB VAL A 244 -26.205 -22.439 4.427 1.00 25.57 C ATOM 2245 CG1 VAL A 244 -24.895 -23.214 4.666 1.00 22.75 C ATOM 2246 CG2 VAL A 244 -26.012 -21.299 3.438 1.00 21.90 C ATOM 2247 OXT VAL A 244 -27.291 -25.690 4.721 1.00 32.71 O ATOM 2248 H VAL A 244 -28.688 -21.730 4.129 1.00 0.00 H TER 2249 VAL A 244 HETATM 2250 MG MG A 1 -1.074 -15.768 -0.051 1.00 50.09 MG HETATM 2251 O HOH 2 -21.233 -24.786 20.102 1.00 17.30 O HETATM 2252 O HOH 3 -19.576 4.100 19.462 1.00 24.99 O HETATM 2253 O HOH 4 -6.702 -9.131 36.324 1.00 33.33 O HETATM 2254 O HOH 5 -11.574 -18.061 25.577 1.00 13.53 O HETATM 2255 O HOH 6 -26.317 -35.550 13.229 1.00 30.90 O HETATM 2256 O HOH 7 -29.188 -28.326 19.424 1.00 27.04 O HETATM 2257 O HOH 8 -21.657 -3.133 2.611 1.00 15.22 O HETATM 2258 O HOH 9 -8.742 -29.340 8.168 1.00 29.71 O HETATM 2259 O HOH 10 -18.419 -12.873 -6.674 1.00 25.13 O HETATM 2260 O HOH 11 -18.442 -6.350 -7.803 1.00 26.51 O HETATM 2261 O HOH 12 -28.076 -21.420 31.688 1.00 19.53 O HETATM 2262 O HOH 13 1.018 -14.958 23.461 1.00 16.04 O HETATM 2263 O HOH 14 2.568 -16.199 10.025 1.00 28.26 O HETATM 2264 O HOH 15 -19.926 -24.369 0.324 1.00 21.84 O HETATM 2265 O HOH 16 -24.108 -12.876 -2.890 1.00 21.36 O HETATM 2266 O HOH 17 -27.229 -35.294 9.491 1.00 35.81 O HETATM 2267 O HOH 18 -34.665 -9.284 20.349 1.00 15.38 O HETATM 2268 O HOH 19 -31.335 -13.525 28.381 1.00 17.85 O HETATM 2269 O HOH 20 -8.630 -15.924 -2.720 1.00 15.26 O HETATM 2270 O HOH 21 -24.202 -28.705 6.785 1.00 32.80 O HETATM 2271 O HOH 22 -32.077 -9.042 16.852 1.00 20.99 O HETATM 2272 O HOH 23 -21.680 -12.818 36.927 1.00 18.36 O HETATM 2273 O HOH 24 -17.475 -11.685 36.471 1.00 27.54 O HETATM 2274 O HOH 25 -20.618 -24.642 6.008 1.00 21.26 O HETATM 2275 O HOH 26 -28.797 -6.010 13.554 1.00 20.49 O HETATM 2276 O HOH 27 -9.474 -4.656 25.824 1.00 9.66 O HETATM 2277 O HOH 28 -6.521 -9.089 -3.471 1.00 23.66 O HETATM 2278 O HOH 29 -14.005 -9.258 27.554 1.00 10.90 O HETATM 2279 O HOH 30 -24.633 -29.489 9.640 1.00 18.19 O HETATM 2280 O HOH 31 -19.073 -4.269 26.765 1.00 20.19 O HETATM 2281 O HOH 32 -25.627 -5.566 30.563 1.00 30.00 O HETATM 2282 O HOH 33 -19.872 -24.115 29.374 1.00 14.42 O HETATM 2283 O HOH 34 -10.183 -12.686 6.174 1.00 12.11 O HETATM 2284 O HOH 35 -8.467 -37.671 8.079 1.00 31.68 O HETATM 2285 O HOH 36 -27.547 10.760 16.371 1.00 14.49 O HETATM 2286 O HOH 37 -9.770 -28.678 18.051 1.00 13.92 O HETATM 2287 O HOH 38 -28.563 -10.585 38.275 1.00 27.24 O HETATM 2288 O HOH 39 -5.356 -9.647 29.256 1.00 14.68 O HETATM 2289 O HOH 40 -1.722 -5.748 23.773 1.00 15.00 O HETATM 2290 O HOH 41 -11.196 -20.158 14.878 1.00 14.31 O HETATM 2291 O HOH 42 -23.666 -14.338 24.988 1.00 18.39 O HETATM 2292 O HOH 43 -32.156 -23.535 15.489 1.00 18.81 O HETATM 2293 O HOH 44 -15.431 -16.377 38.636 1.00 22.55 O HETATM 2294 O HOH 45 -9.533 -18.553 29.485 1.00 17.06 O HETATM 2295 O HOH 46 -15.557 -14.168 31.778 1.00 14.93 O HETATM 2296 O HOH 47 -18.523 -24.576 40.480 1.00 32.62 O HETATM 2297 O HOH 48 2.420 -10.930 16.412 1.00 17.76 O HETATM 2298 O HOH 49 -0.924 -12.312 24.743 1.00 14.52 O HETATM 2299 O HOH 50 -12.177 -27.725 30.688 1.00 20.08 O HETATM 2300 O HOH 51 -5.576 -11.197 18.170 1.00 11.27 O HETATM 2301 O HOH 52 -19.781 -35.507 21.257 1.00 16.43 O HETATM 2302 O HOH 53 -4.128 -15.893 7.222 1.00 22.84 O HETATM 2303 O HOH 54 -33.558 -21.624 21.525 1.00 25.22 O HETATM 2304 O HOH 55 -12.131 -13.193 15.444 1.00 11.55 O HETATM 2305 O HOH 56 -11.398 -15.931 4.714 1.00 18.06 O HETATM 2306 O HOH 57 -3.895 -15.901 35.017 1.00 17.41 O HETATM 2307 O HOH 58 -3.063 -23.078 25.008 1.00 21.24 O HETATM 2308 O HOH 59 -21.600 -24.214 2.324 1.00 24.38 O HETATM 2309 O HOH 60 -12.570 -21.899 40.494 1.00 34.32 O HETATM 2310 O HOH 61 -4.430 -13.891 0.842 1.00 24.98 O HETATM 2311 O HOH 62 -11.060 -12.865 31.513 1.00 15.77 O HETATM 2312 O HOH 63 -21.381 -28.221 23.921 1.00 27.08 O HETATM 2313 O HOH 64 -25.231 -12.226 30.701 1.00 13.67 O HETATM 2314 O HOH 65 5.605 -13.773 15.728 1.00 19.51 O HETATM 2315 O HOH 66 1.917 -4.962 -0.563 1.00 23.29 O HETATM 2316 O HOH 67 -25.304 -15.917 23.054 1.00 12.44 O HETATM 2317 O HOH 68 -6.746 -17.170 4.595 1.00 20.72 O HETATM 2318 O HOH 69 -18.232 -16.800 13.482 1.00 8.58 O HETATM 2319 O HOH 70 -3.504 -18.877 37.247 1.00 21.76 O HETATM 2320 O HOH 71 -23.655 5.386 9.969 1.00 15.15 O HETATM 2321 O HOH 72 -8.070 -15.483 6.733 1.00 17.73 O HETATM 2322 O HOH 73 -31.464 -7.969 11.885 1.00 18.32 O HETATM 2323 O HOH 74 -1.616 -13.398 21.743 1.00 18.64 O HETATM 2324 O HOH 75 -15.087 -28.001 35.520 1.00 35.82 O HETATM 2325 O HOH 76 -16.844 -32.102 19.519 1.00 16.41 O HETATM 2326 O HOH 77 -10.756 -30.391 4.682 1.00 39.94 O HETATM 2327 O HOH 78 -7.018 -30.444 11.172 1.00 28.45 O HETATM 2328 O HOH 79 -22.511 -35.971 17.211 1.00 19.97 O HETATM 2329 O HOH 80 -33.207 -22.492 24.110 1.00 24.56 O HETATM 2330 O HOH 81 -25.461 -26.592 2.693 1.00 31.76 O HETATM 2331 O HOH 82 -16.757 -35.380 14.542 1.00 20.69 O HETATM 2332 O HOH 83 -33.289 -6.884 27.516 1.00 19.40 O HETATM 2333 O HOH 84 -25.157 -19.809 -0.236 1.00 7.52 O HETATM 2334 O HOH 85 -12.744 -7.608 36.289 1.00 31.36 O HETATM 2335 O HOH 86 -24.835 -25.342 13.533 1.00 15.61 O HETATM 2336 O HOH 87 -37.272 -9.592 17.408 1.00 30.00 O HETATM 2337 O HOH 88 -16.053 -0.397 5.373 1.00 25.19 O HETATM 2338 O HOH 89 -14.699 -28.153 32.979 1.00 18.27 O HETATM 2339 O HOH 90 -15.745 -14.824 23.946 1.00 14.64 O HETATM 2340 O HOH 91 -29.803 -1.243 16.122 1.00 19.01 O HETATM 2341 O HOH 92 -22.446 -27.102 21.928 1.00 15.60 O HETATM 2342 O HOH 93 -11.142 -10.717 14.703 1.00 13.35 O HETATM 2343 O HOH 94 -20.324 5.893 16.878 1.00 24.53 O HETATM 2344 O HOH 95 -30.382 -6.068 6.668 1.00 13.86 O HETATM 2345 O HOH 96 -19.233 -7.223 -3.062 1.00 17.50 O HETATM 2346 O HOH 97 -25.039 -18.115 35.331 1.00 15.61 O HETATM 2347 O HOH 98 -29.246 -30.695 12.288 1.00 21.01 O HETATM 2348 O HOH 99 -7.234 -0.483 24.445 1.00 23.50 O HETATM 2349 O HOH 100 -21.879 -19.079 42.007 1.00 29.53 O HETATM 2350 O HOH 101 -5.538 -10.630 32.424 1.00 20.62 O HETATM 2351 O HOH 102 -11.870 -8.593 -4.174 1.00 29.06 O HETATM 2352 O HOH 103 -10.107 -25.670 30.807 1.00 21.99 O HETATM 2353 O HOH 104 -5.988 -17.730 7.629 1.00 18.62 O HETATM 2354 O HOH 105 -30.869 -26.343 15.325 1.00 21.23 O HETATM 2355 O HOH 106 4.204 -14.709 11.235 1.00 25.72 O HETATM 2356 O HOH 107 -16.757 -35.380 18.443 1.00 35.04 O HETATM 2357 O HOH 108 2.689 -17.651 6.919 1.00 37.09 O HETATM 2358 O HOH 109 -12.564 1.630 7.466 1.00 25.11 O HETATM 2359 O HOH 110 -26.352 1.834 21.390 1.00 39.18 O HETATM 2360 O HOH 111 -6.367 -25.147 10.594 1.00 22.73 O HETATM 2361 O HOH 112 -9.220 -35.574 15.516 1.00 21.25 O HETATM 2362 O HOH 113 -3.103 -10.034 4.270 1.00 12.88 O HETATM 2363 O HOH 114 -34.634 -14.803 11.634 1.00 18.88 O HETATM 2364 O HOH 115 -10.587 -24.097 0.220 1.00 37.57 O HETATM 2365 O HOH 116 -15.277 -31.255 3.089 1.00 30.59 O HETATM 2366 O HOH 117 -9.732 -16.543 31.144 1.00 17.18 O HETATM 2367 O HOH 118 -23.258 -29.651 33.396 1.00 26.26 O HETATM 2368 O HOH 119 -13.372 -34.410 26.004 1.00 27.08 O HETATM 2369 O HOH 120 0.000 -19.385 26.055 1.00 27.29 O HETATM 2370 O HOH 121 -19.196 -33.351 28.372 1.00 16.22 O HETATM 2371 O HOH 122 -4.632 -8.053 -5.409 1.00 35.34 O HETATM 2372 O HOH 123 -8.545 -8.601 32.237 1.00 15.94 O HETATM 2373 O HOH 124 -27.536 -25.936 25.853 1.00 31.79 O HETATM 2374 O HOH 125 -33.543 -20.329 16.956 1.00 13.91 O HETATM 2375 O HOH 126 -9.353 -25.206 33.161 1.00 18.91 O HETATM 2376 O HOH 127 -29.194 -33.488 14.298 1.00 29.09 O HETATM 2377 O HOH 128 -12.868 -11.584 -5.835 1.00 28.01 O HETATM 2378 O HOH 129 -2.477 -21.109 22.784 1.00 27.31 O HETATM 2379 O HOH 130 -4.315 -27.541 27.230 1.00 30.07 O HETATM 2380 O HOH 131 -33.514 -13.879 26.055 1.00 22.12 O HETATM 2381 O HOH 132 -6.545 -5.250 14.647 1.00 27.73 O HETATM 2382 O HOH 133 -9.109 -33.998 6.564 1.00 36.18 O HETATM 2383 O HOH 134 -6.597 -24.225 34.042 1.00 20.72 O HETATM 2384 O HOH 135 -9.518 -32.730 22.780 1.00 28.61 O HETATM 2385 O HOH 136 -0.974 -24.845 21.519 1.00 28.13 O HETATM 2386 O HOH 137 -9.155 -32.066 19.813 1.00 24.18 O HETATM 2387 O HOH 138 -22.408 -35.639 20.107 1.00 18.77 O HETATM 2388 O HOH 139 -8.035 -2.456 10.927 1.00 20.59 O HETATM 2389 O HOH 140 -4.418 -15.731 4.729 1.00 23.28 O HETATM 2390 O HOH 141 -6.939 -29.492 18.207 1.00 25.07 O HETATM 2391 O HOH 142 -21.627 -27.039 6.560 1.00 22.12 O HETATM 2392 O HOH 143 -13.746 -25.228 -1.057 1.00 38.27 O HETATM 2393 O HOH 144 -8.490 -0.081 20.744 1.00 39.33 O HETATM 2394 O HOH 145 -6.721 -22.074 38.462 1.00 36.84 O HETATM 2395 O HOH 146 -3.913 -1.887 3.415 1.00 30.61 O HETATM 2396 O HOH 147 -19.990 -31.662 6.389 1.00 31.69 O HETATM 2397 O HOH 148 -28.060 6.185 14.202 1.00 30.00 O HETATM 2398 O HOH 149 -20.276 -1.756 16.815 1.00 24.07 O HETATM 2399 O HOH 150 -24.249 -28.481 27.902 1.00 30.61 O HETATM 2400 O HOH 151 -24.738 -11.556 40.005 1.00 25.25 O HETATM 2401 O HOH 152 1.022 -8.725 15.051 1.00 17.82 O HETATM 2402 O HOH 153 -16.718 -20.732 -5.773 1.00 18.47 O HETATM 2403 O HOH 154 -3.038 -12.256 2.761 1.00 22.18 O HETATM 2404 O HOH 155 -25.779 -26.587 21.452 1.00 14.06 O HETATM 2405 O HOH 156 -13.628 -7.541 -5.563 1.00 41.84 O HETATM 2406 O HOH 157 -3.676 -25.054 32.908 1.00 40.13 O HETATM 2407 O HOH 158 -15.412 -34.602 19.865 1.00 23.37 O HETATM 2408 O HOH 159 -27.604 -38.470 16.614 1.00 38.69 O HETATM 2409 O HOH 160 -17.369 -10.110 -6.825 1.00 30.00 O HETATM 2410 O HOH 161 -4.117 -25.972 14.750 1.00 33.78 O HETATM 2411 O HOH 162 -29.855 -4.583 16.680 1.00 25.65 O HETATM 2412 O HOH 163 -29.859 -37.560 17.266 1.00 48.44 O HETATM 2413 O HOH 164 -27.367 -3.006 29.023 1.00 32.98 O HETATM 2414 O HOH 165 -28.120 -32.524 22.031 1.00 43.37 O HETATM 2415 O HOH 166 -17.516 -7.725 -5.132 1.00 23.72 O HETATM 2416 O HOH 167 -26.415 -26.484 28.051 1.00 33.40 O HETATM 2417 O HOH 168 -6.456 -24.436 37.023 1.00 35.08 O HETATM 2418 O HOH 169 -27.605 -37.504 11.707 1.00 44.59 O HETATM 2419 O HOH 170 -16.757 -35.380 11.514 1.00 32.35 O HETATM 2420 O HOH 171 -27.148 -27.489 24.016 1.00 35.98 O HETATM 2421 O HOH 172 5.046 -11.227 17.105 1.00 22.66 O HETATM 2422 O HOH 173 -27.812 -25.567 30.142 1.00 27.08 O HETATM 2423 O HOH 174 -30.249 -25.788 24.994 1.00 31.44 O HETATM 2424 O HOH 175 -7.531 -27.897 31.471 1.00 37.30 O HETATM 2425 O HOH 176 -2.615 -22.148 29.386 1.00 38.59 O HETATM 2426 O HOH 177 -35.654 -21.163 19.350 1.00 31.12 O HETATM 2427 O HOH 178 -32.364 -25.444 26.950 1.00 37.02 O HETATM 2428 O HOH 179 0.000 -21.860 26.055 1.00 40.51 O HETATM 2429 O HOH 180 0.000 -4.415 26.055 1.00 16.84 O HETATM 2430 O HOH 181 -10.035 -27.367 35.379 1.00 40.35 O HETATM 2431 C18 KD A 7 -18.246 -6.883 30.592 1.00 0.18 C HETATM 2432 O19 KD A 7 -18.673 -5.733 30.668 1.00 -0.40 O HETATM 2433 C20 KD A 7 -18.473 -7.890 31.696 1.00 0.05 C HETATM 2434 C21 KD A 7 -19.826 -7.693 32.391 1.00 -0.00 C HETATM 2435 C22 KD A 7 -21.019 -7.975 31.498 1.00 -0.04 C HETATM 2436 C23 KD A 7 -22.205 -7.273 31.656 1.00 -0.06 C HETATM 2437 C24 KD A 7 -23.297 -7.533 30.844 1.00 -0.07 C HETATM 2438 C25 KD A 7 -23.218 -8.499 29.866 1.00 -0.07 C HETATM 2439 C26 KD A 7 -22.043 -9.195 29.691 1.00 -0.07 C HETATM 2440 C27 KD A 7 -20.952 -8.938 30.505 1.00 -0.06 C HETATM 2441 H9 KD A 7 -20.035 -9.498 30.363 1.00 0.06 H HETATM 2442 H8 KD A 7 -21.971 -9.947 28.913 1.00 0.06 H HETATM 2443 H7 KD A 7 -24.076 -8.710 29.238 1.00 0.06 H HETATM 2444 H6 KD A 7 -24.216 -6.974 30.979 1.00 0.06 H HETATM 2445 H5 KD A 7 -22.278 -6.512 32.424 1.00 0.06 H HETATM 2446 H3 KD A 7 -19.890 -6.651 32.736 1.00 0.05 H HETATM 2447 H4 KD A 7 -19.873 -8.370 33.257 1.00 0.05 H HETATM 2448 H1 KD A 7 -17.672 -7.783 32.443 1.00 0.05 H HETATM 2449 H2 KD A 7 -18.440 -8.902 31.265 1.00 0.05 H HETATM 2450 N17 KD A 7 -17.555 -7.329 29.538 1.00 -0.26 N HETATM 2451 C09 KD A 7 -17.250 -6.508 28.382 1.00 0.14 C HETATM 2452 C07 KD A 7 -17.469 -7.314 27.099 1.00 0.21 C HETATM 2453 O08 KD A 7 -16.996 -8.443 26.995 1.00 -0.39 O HETATM 2454 N06 KD A 7 -18.175 -6.735 26.125 1.00 -0.26 N HETATM 2455 C04 KD A 7 -18.394 -7.442 24.875 1.00 0.13 C HETATM 2456 C28 KD A 7 -17.066 -7.453 24.118 1.00 0.20 C HETATM 2457 O29 KD A 7 -16.219 -6.592 24.338 1.00 -0.39 O HETATM 2458 N30 KD A 7 -16.884 -8.445 23.247 1.00 -0.28 N HETATM 2459 C31 KD A 7 -15.638 -8.604 22.503 1.00 0.09 C HETATM 2460 C33 KD A 7 -15.055 -9.987 22.788 1.00 -0.02 C HETATM 2461 C34 KD A 7 -14.562 -10.149 24.222 1.00 -0.02 C HETATM 2462 C35 KD A 7 -14.188 -11.584 24.582 1.00 0.06 C HETATM 2463 N36 KD A 7 -13.790 -11.495 25.993 1.00 -0.27 N HETATM 2464 C37 KD A 7 -13.136 -12.671 26.542 1.00 0.29 C HETATM 2465 N38 KD A 7 -12.591 -12.565 27.735 1.00 -0.28 N HETATM 2466 H39 KD A 7 -12.118 -13.376 28.159 1.00 0.26 H HETATM 2467 H40 KD A 7 -12.637 -11.671 28.245 1.00 0.26 H HETATM 2468 N39 KD A 7 -13.115 -13.800 25.862 1.00 -0.28 N HETATM 2469 H41 KD A 7 -13.551 -13.848 24.930 1.00 0.26 H HETATM 2470 H42 KD A 7 -12.662 -14.634 26.262 1.00 0.26 H HETATM 2471 H38 KD A 7 -13.964 -10.652 26.558 1.00 0.26 H HETATM 2472 H30 KD A 7 -13.353 -11.940 23.960 1.00 0.07 H HETATM 2473 H31 KD A 7 -15.050 -12.257 24.459 1.00 0.07 H HETATM 2474 H28 KD A 7 -15.359 -9.816 24.903 1.00 0.03 H HETATM 2475 H29 KD A 7 -13.674 -9.514 24.358 1.00 0.03 H HETATM 2476 H26 KD A 7 -14.208 -10.156 22.106 1.00 0.03 H HETATM 2477 H27 KD A 7 -15.834 -10.740 22.599 1.00 0.03 H HETATM 2478 C40 KD A 7 -15.810 -8.332 21.006 1.00 0.15 C HETATM 2479 C42 KD A 7 -16.227 -6.908 20.663 1.00 0.13 C HETATM 2480 N43 KD A 7 -17.475 -6.424 20.116 1.00 -0.31 N HETATM 2481 C44 KD A 7 -17.513 -5.047 19.880 1.00 0.02 C HETATM 2482 C45 KD A 7 -18.588 -4.321 19.371 1.00 -0.06 C HETATM 2483 C46 KD A 7 -18.473 -2.947 19.226 1.00 -0.07 C HETATM 2484 C47 KD A 7 -17.287 -2.301 19.518 1.00 -0.07 C HETATM 2485 C48 KD A 7 -16.212 -3.007 20.029 1.00 -0.05 C HETATM 2486 C49 KD A 7 -16.332 -4.383 20.201 1.00 0.05 C HETATM 2487 S50 KD A 7 -15.107 -5.475 20.821 1.00 0.01 S HETATM 2488 H36 KD A 7 -15.292 -2.497 20.291 1.00 0.06 H HETATM 2489 H35 KD A 7 -17.198 -1.234 19.346 1.00 0.06 H HETATM 2490 H34 KD A 7 -19.324 -2.372 18.879 1.00 0.06 H HETATM 2491 H33 KD A 7 -19.506 -4.826 19.091 1.00 0.06 H HETATM 2492 O41 KD A 7 -14.525 -8.412 20.396 1.00 -0.37 O HETATM 2493 H43 KD A 7 -14.157 -9.275 20.547 1.00 0.21 H HETATM 2494 H32 KD A 7 -16.517 -9.058 20.579 1.00 0.09 H HETATM 2495 H25 KD A 7 -14.925 -7.858 22.884 1.00 0.06 H HETATM 2496 H37 KD A 7 -17.624 -9.101 23.098 1.00 0.19 H HETATM 2497 C02 KD A 7 -19.543 -6.852 24.034 1.00 -0.01 C HETATM 2498 C01 KD A 7 -20.860 -6.878 24.799 1.00 -0.06 C HETATM 2499 H19 KD A 7 -21.657 -6.451 24.172 1.00 0.02 H HETATM 2500 H20 KD A 7 -20.761 -6.285 25.720 1.00 0.02 H HETATM 2501 H21 KD A 7 -21.114 -7.917 25.057 1.00 0.02 H HETATM 2502 C03 KD A 7 -19.225 -5.444 23.554 1.00 -0.06 C HETATM 2503 H22 KD A 7 -18.272 -5.450 23.006 1.00 0.02 H HETATM 2504 H23 KD A 7 -19.145 -4.771 24.420 1.00 0.02 H HETATM 2505 H24 KD A 7 -20.028 -5.093 22.889 1.00 0.02 H HETATM 2506 H18 KD A 7 -19.661 -7.488 23.144 1.00 0.03 H HETATM 2507 H17 KD A 7 -18.666 -8.481 25.112 1.00 0.08 H HETATM 2508 H16 KD A 7 -18.552 -5.818 26.255 1.00 0.19 H HETATM 2509 C11 KD A 7 -15.790 -6.046 28.446 1.00 0.02 C HETATM 2510 C12 KD A 7 -15.489 -5.541 29.857 1.00 0.01 C HETATM 2511 C13 KD A 7 -15.926 -4.112 30.179 1.00 0.00 C HETATM 2512 S14 KD A 7 -15.319 -4.152 31.885 1.00 -0.02 S HETATM 2513 C15 KD A 7 -14.614 -5.827 32.047 1.00 0.07 C HETATM 2514 N16 KD A 7 -14.805 -6.496 30.788 1.00 -0.31 N HETATM 2515 H11 KD A 7 -14.137 -6.243 32.933 1.00 0.12 H HETATM 2516 H10 KD A 7 -16.425 -3.343 29.591 1.00 0.06 H HETATM 2517 H13 KD A 7 -15.628 -5.234 27.721 1.00 0.04 H HETATM 2518 H14 KD A 7 -15.126 -6.889 28.207 1.00 0.04 H HETATM 2519 H12 KD A 7 -17.911 -5.629 28.377 1.00 0.08 H HETATM 2520 H15 KD A 7 -17.233 -8.275 29.547 1.00 0.19 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 69 68 2250 CONECT 236 235 370 CONECT 370 236 369 CONECT 1521 1520 1658 CONECT 1658 1521 1657 CONECT 1742 1741 1983 CONECT 1983 1742 1982 CONECT 2250 69 CONECT 2431 2432 2433 2450 CONECT 2432 2431 CONECT 2433 2431 2434 2448 2449 CONECT 2434 2433 2435 2446 2447 CONECT 2435 2434 2436 2440 CONECT 2436 2435 2437 2445 CONECT 2437 2436 2438 2444 CONECT 2438 2437 2439 2443 CONECT 2439 2438 2440 2442 CONECT 2440 2435 2439 2441 CONECT 2441 2440 CONECT 2442 2439 CONECT 2443 2438 CONECT 2444 2437 CONECT 2445 2436 CONECT 2446 2434 CONECT 2447 2434 CONECT 2448 2433 CONECT 2449 2433 CONECT 2450 2431 2451 2520 CONECT 2451 2450 2452 2509 2519 CONECT 2452 2451 2453 2454 CONECT 2453 2452 CONECT 2454 2452 2455 2508 CONECT 2455 2454 2456 2497 2507 CONECT 2456 2455 2457 2458 CONECT 2457 2456 CONECT 2458 2456 2459 2496 CONECT 2459 2458 2460 2478 2495 CONECT 2460 2459 2461 2476 2477 CONECT 2461 2460 2462 2474 2475 CONECT 2462 2461 2463 2472 2473 CONECT 2463 2462 2464 2471 CONECT 2464 2463 2465 2468 CONECT 2465 2464 2466 2467 CONECT 2466 2465 CONECT 2467 2465 CONECT 2468 2464 2469 2470 CONECT 2469 2468 CONECT 2470 2468 CONECT 2471 2463 CONECT 2472 2462 CONECT 2473 2462 CONECT 2474 2461 CONECT 2475 2461 CONECT 2476 2460 CONECT 2477 2460 CONECT 2478 2459 2479 2492 2494 CONECT 2479 2478 2480 2487 CONECT 2480 2479 2481 CONECT 2481 2480 2482 2486 CONECT 2482 2481 2483 2491 CONECT 2483 2482 2484 2490 CONECT 2484 2483 2485 2489 CONECT 2485 2484 2486 2488 CONECT 2486 2481 2485 2487 CONECT 2487 2479 2486 CONECT 2488 2485 CONECT 2489 2484 CONECT 2490 2483 CONECT 2491 2482 CONECT 2492 2478 2493 CONECT 2493 2492 CONECT 2494 2478 CONECT 2495 2459 CONECT 2496 2458 CONECT 2497 2455 2498 2502 2506 CONECT 2498 2497 2499 2500 2501 CONECT 2499 2498 CONECT 2500 2498 CONECT 2501 2498 CONECT 2502 2497 2503 2504 2505 CONECT 2503 2502 CONECT 2504 2502 CONECT 2505 2502 CONECT 2506 2497 CONECT 2507 2455 CONECT 2508 2454 CONECT 2509 2451 2510 2517 2518 CONECT 2510 2509 2511 2514 CONECT 2511 2510 2512 2516 CONECT 2512 2511 2513 CONECT 2513 2512 2514 2515 CONECT 2514 2510 2513 CONECT 2515 2513 CONECT 2516 2511 CONECT 2517 2509 CONECT 2518 2509 CONECT 2519 2451 CONECT 2520 2450 MASTER 0 0 0 0 0 0 0 0 2519 1 102 19 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6n4t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2gv6
RCSB PDB
PDBbind
241aa, >2GV6_1|Chain... at 100%
2gv7
RCSB PDB
PDBbind
241aa, >2GV7_1|Chain... at 100%
4jyt
RCSB PDB
PDBbind
241aa, >4JYT_1|Chain... at 100%
4jz1
RCSB PDB
PDBbind
241aa, >4JZ1_1|Chain... at 100%
4jzi
RCSB PDB
PDBbind
241aa, >4JZI_1|Chain... at 100%
4o97
RCSB PDB
PDBbind
241aa, >4O97_1|Chain... at 100%
4o9v
RCSB PDB
PDBbind
241aa, >4O9V_1|Chain... at 100%
4r0i
RCSB PDB
PDBbind
241aa, >4R0I_1|Chain... at 100%
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
6n4t
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Matriptase
Ligand Name
KD7
EC.Number
E.C.-.-.-.-
Resolution
1.95(Å)
Affinity (Kd/Ki/IC50)
IC50=8.1nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Cell Chem Biol Vol. 26: pp. 1559-1572.e9
Ligand Properties
Formula
C
3
3
H
4
3
N
8
O
4
S
2
Molecular Weight
679.876
Exact Mass
679.285
No. of atoms
90
No. of bonds
93
Polar Surface Area
255.8
LOGP Value
5.22 (
Computed with XLOGP3
)
3.48 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 4
Canonical SMILES
O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](c1nc2c(s1)cccc2)O)CCC[NH+]=C(N)N)C(C)C)Cc1cscn1)CCc1ccccc1
InChI String
InChI=1S/C33H42N8O4S2/c1-20(2)28(41-30(44)25(17-22-18-46-19-37-22)38-27(42)15-14-21-9-4-3-5-10-21)31(45)39-24(12-8-16-36-33(34)35)29(43)32-40-23-11-6-7-13-26(23)47-32/h3-7,9-11,13,18-20,24-25,28-29,43H,8,12,14-17H2,1-2H3,(H,38,42)(H,39,45)(H,41,44)(H4,34,35,36)/p+1/t24-,25-,28-,29-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9Y5Y6
Entrez Gene ID
NCBI Entrez Gene ID:
6768
ASD
Information of known allosteric effects of PDB entries
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